----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:42:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.815950665667117 -4.737881229999999 0.000000000000000 b 5.815950665667117 4.737881229999999 0.000000000000000 c -5.334461844843465 0.000000000000000 5.892816523439004 Atomic positions (fractional): *1 Cs 0.68389762040232 0.31610237959768 0.75000000000000 132.905 2 Cs 0.31610237959768 0.68389762040232 0.25000000000000 132.905 *3 Li 0.73660773119037 0.46933718593994 0.23012399450692 6.941 *4 Li 0.92727414013564 0.29620170987089 0.46159781379185 6.941 5 Li 0.26339226880963 0.53066281406006 0.76987600549308 6.941 6 Li 0.53066281406006 0.26339226880963 0.26987600549308 6.941 *7 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 8 Li 0.07272585986436 0.70379829012911 0.53840218620815 6.941 9 Li 0.46933718593994 0.73660773119037 0.73012399450692 6.941 10 Li 0.29620170987089 0.92727414013565 0.96159781379185 6.941 11 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 12 Li 0.70379829012911 0.07272585986435 0.03840218620815 6.941 *13 B 0.31184687764277 0.16872449509392 0.81146610586538 10.811 14 B 0.16872449509392 0.31184687764277 0.31146610586538 10.811 15 B 0.68815312235723 0.83127550490608 0.18853389413462 10.811 16 B 0.83127550490608 0.68815312235723 0.68853389413462 10.811 *17 O 0.72801501961583 0.83564670746593 0.79704163694299 15.999 *18 O 0.26537092400584 0.95367024102313 0.71361291649370 15.999 19 O 0.73462907599416 0.04632975897687 0.28638708350630 15.999 20 O 0.83564670746593 0.72801501961583 0.29704163694299 15.999 21 O 0.95367024102313 0.26537092400584 0.21361291649370 15.999 22 O 0.04632975897687 0.73462907599416 0.78638708350630 15.999 *23 O 0.27049329748762 0.49784903457081 0.50803829140926 15.999 24 O 0.27198498038417 0.16435329253407 0.20295836305701 15.999 25 O 0.49784903457081 0.27049329748762 0.00803829140926 15.999 26 O 0.50215096542919 0.72950670251238 0.99196170859074 15.999 27 O 0.72950670251238 0.50215096542919 0.49196170859074 15.999 28 O 0.16435329253407 0.27198498038417 0.70295836305701 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.631901331334234 0.000000000000000 0.000000000000000 b 0.000000000000000 9.475762459999999 0.000000000000000 c -5.334461844843465 0.000000000000000 5.892816523439004 Atomic positions (fractional): *1 Cs 0.50000000000000 0.81610237959768 0.75000000000000 132.905 > 1 2 Cs 0.00000000000000 0.68389762040232 0.25000000000000 132.905 > 2 3 Cs 0.00000000000000 0.31610237959768 0.75000000000000 132.905 > 1 4 Cs 0.50000000000000 0.18389762040232 0.25000000000000 132.905 > 2 *5 Li 0.10297245856516 0.36636472737479 0.23012399450692 6.941 > 3 *6 Li 0.61173792500327 0.68446378486762 0.46159781379185 6.941 > 4 7 Li 0.39702754143484 0.13363527262521 0.76987600549308 6.941 > 5 8 Li 0.39702754143484 0.86636472737479 0.26987600549308 6.941 > 6 *9 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 7 10 Li 0.88826207499673 0.81553621513238 0.53840218620815 6.941 > 8 11 Li 0.10297245856516 0.63363527262521 0.73012399450692 6.941 > 9 12 Li 0.61173792500327 0.31553621513238 0.96159781379185 6.941 > 10 13 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 11 14 Li 0.88826207499673 0.18446378486762 0.03840218620815 6.941 > 12 15 Li 0.60297245856516 0.86636472737479 0.23012399450692 6.941 > 3 16 Li 0.11173792500327 0.18446378486762 0.46159781379185 6.941 > 4 17 Li 0.89702754143484 0.63363527262521 0.76987600549308 6.941 > 5 18 Li 0.89702754143484 0.36636472737479 0.26987600549308 6.941 > 6 19 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 7 20 Li 0.38826207499673 0.31553621513238 0.53840218620815 6.941 > 8 21 Li 0.60297245856516 0.13363527262521 0.73012399450692 6.941 > 9 22 Li 0.11173792500327 0.81553621513238 0.96159781379185 6.941 > 10 23 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 11 24 Li 0.38826207499673 0.68446378486762 0.03840218620815 6.941 > 12 *25 B 0.24028568636834 0.92843880872557 0.81146610586538 10.811 > 13 26 B 0.74028568636834 0.57156119127443 0.31146610586538 10.811 > 14 27 B 0.25971431363166 0.57156119127443 0.18853389413462 10.811 > 15 28 B 0.75971431363166 0.92843880872557 0.68853389413462 10.811 > 16 29 B 0.74028568636834 0.42843880872557 0.81146610586538 10.811 > 13 30 B 0.24028568636834 0.07156119127443 0.31146610586538 10.811 > 14 31 B 0.75971431363166 0.07156119127443 0.18853389413462 10.811 > 15 32 B 0.25971431363166 0.42843880872557 0.68853389413462 10.811 > 16 *33 O 0.28183086354088 0.55381584392505 0.79704163694299 15.999 > 17 *34 O 0.10952058251449 0.84414965850864 0.71361291649370 15.999 > 18 35 O 0.39047941748551 0.65585034149136 0.28638708350630 15.999 > 19 36 O 0.28183086354088 0.44618415607495 0.29704163694299 15.999 > 20 37 O 0.10952058251449 0.15585034149136 0.21361291649370 15.999 > 21 38 O 0.39047941748551 0.34414965850864 0.78638708350630 15.999 > 22 *39 O 0.38417116602922 0.11367786854160 0.50803829140926 15.999 > 23 40 O 0.21816913645912 0.94618415607495 0.20295836305701 15.999 > 24 41 O 0.88417116602921 0.38632213145840 0.00803829140926 15.999 > 25 42 O 0.61582883397079 0.11367786854160 0.99196170859074 15.999 > 26 43 O 0.11582883397079 0.38632213145840 0.49196170859074 15.999 > 27 44 O 0.21816913645912 0.05381584392505 0.70295836305701 15.999 > 28 45 O 0.78183086354088 0.05381584392505 0.79704163694299 15.999 > 17 46 O 0.60952058251449 0.34414965850864 0.71361291649370 15.999 > 18 47 O 0.89047941748551 0.15585034149136 0.28638708350630 15.999 > 19 48 O 0.78183086354088 0.94618415607495 0.29704163694299 15.999 > 20 49 O 0.60952058251449 0.65585034149136 0.21361291649370 15.999 > 21 50 O 0.89047941748551 0.84414965850864 0.78638708350630 15.999 > 22 51 O 0.88417116602921 0.61367786854160 0.50803829140926 15.999 > 23 52 O 0.71816913645912 0.44618415607495 0.20295836305701 15.999 > 24 53 O 0.38417116602922 0.88632213145840 0.00803829140926 15.999 > 25 54 O 0.11582883397079 0.61367786854160 0.99196170859074 15.999 > 26 55 O 0.61582883397079 0.88632213145840 0.49196170859074 15.999 > 27 56 O 0.71816913645912 0.55381584392505 0.70295836305701 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.631901331334234 0.000000000000000 0.000000000000000 b 0.000000000000000 9.475762459999999 0.000000000000000 c -10.668923689686929 0.000000000000000 11.785633046878008 Atomic positions (fractional): *1 Cs 0.50000000000000 0.81610237959768 0.37500000000000 132.905 > 1 2 Cs 0.50000000000000 0.81610237959768 0.87500000000000 132.905 > 1 3 Cs 0.00000000000000 0.68389762040232 0.12500000000000 132.905 > 2 4 Cs 0.00000000000000 0.68389762040232 0.62500000000000 132.905 > 2 5 Cs 0.00000000000000 0.31610237959768 0.37500000000000 132.905 > 1 6 Cs 0.00000000000000 0.31610237959768 0.87500000000000 132.905 > 1 7 Cs 0.50000000000000 0.18389762040232 0.12500000000000 132.905 > 2 8 Cs 0.50000000000000 0.18389762040232 0.62500000000000 132.905 > 2 *9 Li 0.10297245856516 0.36636472737479 0.11506199725346 6.941 > 3 10 Li 0.10297245856516 0.36636472737479 0.61506199725346 6.941 > 3 *11 Li 0.61173792500327 0.68446378486762 0.23079890689593 6.941 > 4 12 Li 0.61173792500327 0.68446378486762 0.73079890689593 6.941 > 4 13 Li 0.39702754143484 0.13363527262521 0.38493800274654 6.941 > 5 14 Li 0.39702754143484 0.13363527262521 0.88493800274654 6.941 > 5 15 Li 0.39702754143484 0.86636472737479 0.13493800274654 6.941 > 6 16 Li 0.39702754143484 0.86636472737479 0.63493800274654 6.941 > 6 *17 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 7 18 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 7 19 Li 0.88826207499673 0.81553621513238 0.26920109310407 6.941 > 8 20 Li 0.88826207499673 0.81553621513238 0.76920109310407 6.941 > 8 21 Li 0.10297245856516 0.63363527262521 0.36506199725346 6.941 > 9 22 Li 0.10297245856516 0.63363527262521 0.86506199725346 6.941 > 9 23 Li 0.61173792500327 0.31553621513238 0.48079890689593 6.941 > 10 24 Li 0.61173792500327 0.31553621513238 0.98079890689593 6.941 > 10 25 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 11 26 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 11 27 Li 0.88826207499673 0.18446378486762 0.01920109310407 6.941 > 12 28 Li 0.88826207499673 0.18446378486762 0.51920109310407 6.941 > 12 29 Li 0.60297245856516 0.86636472737479 0.11506199725346 6.941 > 3 30 Li 0.60297245856516 0.86636472737479 0.61506199725346 6.941 > 3 31 Li 0.11173792500327 0.18446378486762 0.23079890689593 6.941 > 4 32 Li 0.11173792500327 0.18446378486762 0.73079890689593 6.941 > 4 33 Li 0.89702754143484 0.63363527262521 0.38493800274654 6.941 > 5 34 Li 0.89702754143484 0.63363527262521 0.88493800274654 6.941 > 5 35 Li 0.89702754143484 0.36636472737479 0.13493800274654 6.941 > 6 36 Li 0.89702754143484 0.36636472737479 0.63493800274654 6.941 > 6 37 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 7 38 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 7 39 Li 0.38826207499673 0.31553621513238 0.26920109310407 6.941 > 8 40 Li 0.38826207499673 0.31553621513238 0.76920109310407 6.941 > 8 41 Li 0.60297245856516 0.13363527262521 0.36506199725346 6.941 > 9 42 Li 0.60297245856516 0.13363527262521 0.86506199725346 6.941 > 9 43 Li 0.11173792500327 0.81553621513238 0.48079890689593 6.941 > 10 44 Li 0.11173792500327 0.81553621513238 0.98079890689593 6.941 > 10 45 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 11 46 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 11 47 Li 0.38826207499673 0.68446378486762 0.01920109310407 6.941 > 12 48 Li 0.38826207499673 0.68446378486762 0.51920109310407 6.941 > 12 *49 B 0.24028568636834 0.92843880872557 0.40573305293269 10.811 > 13 50 B 0.24028568636834 0.92843880872557 0.90573305293269 10.811 > 13 51 B 0.74028568636834 0.57156119127443 0.15573305293269 10.811 > 14 52 B 0.74028568636834 0.57156119127443 0.65573305293269 10.811 > 14 53 B 0.25971431363166 0.57156119127443 0.09426694706731 10.811 > 15 54 B 0.25971431363166 0.57156119127443 0.59426694706731 10.811 > 15 55 B 0.75971431363166 0.92843880872557 0.34426694706731 10.811 > 16 56 B 0.75971431363166 0.92843880872557 0.84426694706731 10.811 > 16 57 B 0.74028568636834 0.42843880872557 0.40573305293269 10.811 > 13 58 B 0.74028568636834 0.42843880872557 0.90573305293269 10.811 > 13 59 B 0.24028568636834 0.07156119127443 0.15573305293269 10.811 > 14 60 B 0.24028568636834 0.07156119127443 0.65573305293269 10.811 > 14 61 B 0.75971431363166 0.07156119127443 0.09426694706731 10.811 > 15 62 B 0.75971431363166 0.07156119127443 0.59426694706731 10.811 > 15 63 B 0.25971431363166 0.42843880872557 0.34426694706731 10.811 > 16 64 B 0.25971431363166 0.42843880872557 0.84426694706731 10.811 > 16 *65 O 0.28183086354088 0.55381584392505 0.39852081847150 15.999 > 17 66 O 0.28183086354088 0.55381584392505 0.89852081847150 15.999 > 17 *67 O 0.10952058251449 0.84414965850864 0.35680645824685 15.999 > 18 68 O 0.10952058251449 0.84414965850864 0.85680645824685 15.999 > 18 69 O 0.39047941748551 0.65585034149136 0.14319354175315 15.999 > 19 70 O 0.39047941748551 0.65585034149136 0.64319354175315 15.999 > 19 71 O 0.28183086354088 0.44618415607495 0.14852081847150 15.999 > 20 72 O 0.28183086354088 0.44618415607495 0.64852081847150 15.999 > 20 73 O 0.10952058251449 0.15585034149136 0.10680645824685 15.999 > 21 74 O 0.10952058251449 0.15585034149136 0.60680645824685 15.999 > 21 75 O 0.39047941748551 0.34414965850864 0.39319354175315 15.999 > 22 76 O 0.39047941748551 0.34414965850864 0.89319354175315 15.999 > 22 *77 O 0.38417116602922 0.11367786854160 0.25401914570463 15.999 > 23 78 O 0.38417116602922 0.11367786854160 0.75401914570463 15.999 > 23 79 O 0.21816913645912 0.94618415607495 0.10147918152850 15.999 > 24 80 O 0.21816913645912 0.94618415607495 0.60147918152850 15.999 > 24 81 O 0.88417116602921 0.38632213145840 0.00401914570463 15.999 > 25 82 O 0.88417116602921 0.38632213145840 0.50401914570463 15.999 > 25 83 O 0.61582883397079 0.11367786854160 0.49598085429537 15.999 > 26 84 O 0.61582883397079 0.11367786854160 0.99598085429537 15.999 > 26 85 O 0.11582883397079 0.38632213145840 0.24598085429537 15.999 > 27 86 O 0.11582883397079 0.38632213145840 0.74598085429537 15.999 > 27 87 O 0.21816913645912 0.05381584392505 0.35147918152850 15.999 > 28 88 O 0.21816913645912 0.05381584392505 0.85147918152850 15.999 > 28 89 O 0.78183086354088 0.05381584392505 0.39852081847150 15.999 > 17 90 O 0.78183086354088 0.05381584392505 0.89852081847150 15.999 > 17 91 O 0.60952058251449 0.34414965850864 0.35680645824685 15.999 > 18 92 O 0.60952058251449 0.34414965850864 0.85680645824685 15.999 > 18 93 O 0.89047941748551 0.15585034149136 0.14319354175315 15.999 > 19 94 O 0.89047941748551 0.15585034149136 0.64319354175315 15.999 > 19 95 O 0.78183086354088 0.94618415607495 0.14852081847150 15.999 > 20 96 O 0.78183086354088 0.94618415607495 0.64852081847150 15.999 > 20 97 O 0.60952058251449 0.65585034149136 0.10680645824685 15.999 > 21 98 O 0.60952058251449 0.65585034149136 0.60680645824685 15.999 > 21 99 O 0.89047941748551 0.84414965850864 0.39319354175315 15.999 > 22 100 O 0.89047941748551 0.84414965850864 0.89319354175315 15.999 > 22 101 O 0.88417116602921 0.61367786854160 0.25401914570463 15.999 > 23 102 O 0.88417116602921 0.61367786854160 0.75401914570463 15.999 > 23 103 O 0.71816913645912 0.44618415607495 0.10147918152850 15.999 > 24 104 O 0.71816913645912 0.44618415607495 0.60147918152850 15.999 > 24 105 O 0.38417116602922 0.88632213145840 0.00401914570463 15.999 > 25 106 O 0.38417116602922 0.88632213145840 0.50401914570463 15.999 > 25 107 O 0.11582883397079 0.61367786854160 0.49598085429537 15.999 > 26 108 O 0.11582883397079 0.61367786854160 0.99598085429537 15.999 > 26 109 O 0.61582883397079 0.88632213145840 0.24598085429537 15.999 > 27 110 O 0.61582883397079 0.88632213145840 0.74598085429537 15.999 > 27 111 O 0.71816913645912 0.55381584392505 0.35147918152850 15.999 > 28 112 O 0.71816913645912 0.55381584392505 0.85147918152850 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6334510 0.0000000 0.0532479 0.0000000 2.6861603 0.0000000 0.0532500 0.0000000 2.7098540 -------------------------- Born effective charges -------------------------- 1 Cs 1.3014324 0.0000000 -0.1952731 0.0000000 1.3487110 0.0000000 -0.1876081 -0.0000000 1.3784503 2 Cs 1.3014324 0.0000000 -0.1952731 0.0000000 1.3487110 0.0000000 -0.1876081 -0.0000000 1.3784503 3 Li 1.0195201 -0.0226702 0.0125013 0.0047939 1.0094159 -0.0008818 -0.0124653 -0.0223531 1.0555228 4 Li 1.0542764 0.0246876 0.0228808 0.0219482 1.0039861 -0.0301599 0.0488602 -0.0226179 0.9995211 5 Li 1.0195201 -0.0226702 0.0125013 0.0047939 1.0094159 -0.0008818 -0.0124653 -0.0223531 1.0555228 6 Li 1.0195201 0.0226702 0.0125013 -0.0047939 1.0094159 0.0008818 -0.0124653 0.0223531 1.0555228 7 Li 0.8953610 0.0024135 0.2179957 0.0098473 0.8876877 0.1389791 0.2305656 0.1293703 1.0212199 8 Li 1.0542764 0.0246876 0.0228808 0.0219482 1.0039861 -0.0301599 0.0488602 -0.0226179 0.9995211 9 Li 1.0195201 0.0226702 0.0125013 -0.0047939 1.0094159 0.0008818 -0.0124653 0.0223531 1.0555228 10 Li 1.0542764 -0.0246876 0.0228808 -0.0219482 1.0039861 0.0301599 0.0488602 0.0226179 0.9995211 11 Li 0.8953610 -0.0024135 0.2179957 -0.0098473 0.8876877 -0.1389791 0.2305656 -0.1293703 1.0212199 12 Li 1.0542764 -0.0246876 0.0228808 -0.0219482 1.0039861 0.0301599 0.0488602 0.0226179 0.9995211 13 B 1.5166982 0.7167600 0.8628209 0.7951502 2.0040589 -0.5603543 0.8515587 -0.5833910 1.9441503 14 B 1.5166982 -0.7167600 0.8628209 -0.7951502 2.0040589 0.5603543 0.8515587 0.5833910 1.9441503 15 B 1.5166982 0.7167600 0.8628209 0.7951502 2.0040589 -0.5603543 0.8515587 -0.5833910 1.9441503 16 B 1.5166982 -0.7167600 0.8628209 -0.7951502 2.0040589 0.5603543 0.8515587 0.5833910 1.9441503 17 O -1.3363570 0.3129766 -0.0450713 0.2968018 -1.9925489 -0.5182179 -0.0775293 -0.4904344 -1.5656057 18 O -1.7764981 -0.4980747 -0.4095816 -0.5212355 -1.6908777 -0.1609222 -0.4255179 -0.1493800 -1.5646813 19 O -1.7764981 -0.4980747 -0.4095816 -0.5212355 -1.6908777 -0.1609222 -0.4255179 -0.1493800 -1.5646813 20 O -1.3363570 -0.3129766 -0.0450713 -0.2968018 -1.9925489 0.5182179 -0.0775293 0.4904344 -1.5656057 21 O -1.7764981 0.4980747 -0.4095816 0.5212355 -1.6908777 0.1609222 -0.4255179 0.1493800 -1.5646813 22 O -1.7764981 0.4980747 -0.4095816 0.5212355 -1.6908777 0.1609222 -0.4255179 0.1493800 -1.5646813 23 O -1.5760362 -0.0687541 -0.4549113 -0.0404042 -1.4522337 -0.2580422 -0.4063853 -0.2346934 -2.0687423 24 O -1.3363570 0.3129766 -0.0450713 0.2968018 -1.9925489 -0.5182179 -0.0775293 -0.4904344 -1.5656057 25 O -1.5760362 0.0687541 -0.4549113 0.0404042 -1.4522337 0.2580422 -0.4063853 0.2346934 -2.0687423 26 O -1.5760362 0.0687541 -0.4549113 0.0404042 -1.4522337 0.2580422 -0.4063853 0.2346934 -2.0687423 27 O -1.5760362 -0.0687541 -0.4549113 -0.0404042 -1.4522337 -0.2580422 -0.4063853 -0.2346934 -2.0687423 28 O -1.3363570 -0.3129766 -0.0450713 -0.2968018 -1.9925489 0.5182179 -0.0775293 0.4904344 -1.5656057 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 16572/16572 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3664 Number of blocks in projector: 3664 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: 788 Use submatrix version of eigh solver. (1) Block: 500 / 788 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 788 / 788 (1) 279 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 436 Use standard eigh solver. Tree of FC basis block matrices: - (3664, 3597), data: False |-- (436, 428), data: True |-- (436, 428), data: True |-- (436, 428), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (788, 773), data: False |-- (788, 9), data: (788, 24) @ (24, 9) |-- (288, 279), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.999 Solver_block: 200 / 880 - Time: 0.920 Solver_block: 300 / 880 - Time: 0.932 Solver_block: 400 / 880 - Time: 0.918 Solver_block: 500 / 880 - Time: 0.925 Solver_block: 600 / 880 - Time: 0.929 Solver_block: 700 / 880 - Time: 0.913 Solver_block: 800 / 880 - Time: 0.903 Solver_block: 880 / 880 - Time: 0.765 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.480 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) Permutation basis: 336/336 Permutation basis: 16572/16572 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3664 Number of blocks in projector: 3664 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: 788 Use submatrix version of eigh solver. (1) Block: 500 / 788 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 788 / 788 (1) 279 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 436 Use standard eigh solver. Tree of FC basis block matrices: - (3664, 3597), data: False |-- (436, 428), data: True |-- (436, 428), data: True |-- (436, 428), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (788, 773), data: False |-- (788, 9), data: (788, 24) @ (24, 9) |-- (288, 279), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:43:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:43:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.815950665667117 -4.737881229999999 0.000000000000000 b 5.815950665667117 4.737881229999999 0.000000000000000 c -5.334461844843465 0.000000000000000 5.892816523439004 Atomic positions (fractional): 1 Cs 0.68389762040232 0.31610237959768 0.75000000000000 132.905 2 Cs 0.31610237959768 0.68389762040232 0.25000000000000 132.905 3 Li 0.73660773119037 0.46933718593994 0.23012399450692 6.941 4 Li 0.92727414013564 0.29620170987089 0.46159781379185 6.941 5 Li 0.26339226880963 0.53066281406006 0.76987600549308 6.941 6 Li 0.53066281406006 0.26339226880963 0.26987600549308 6.941 7 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 8 Li 0.07272585986436 0.70379829012911 0.53840218620815 6.941 9 Li 0.46933718593994 0.73660773119037 0.73012399450692 6.941 10 Li 0.29620170987089 0.92727414013565 0.96159781379185 6.941 11 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 12 Li 0.70379829012911 0.07272585986435 0.03840218620815 6.941 13 B 0.31184687764277 0.16872449509392 0.81146610586538 10.811 14 B 0.16872449509392 0.31184687764277 0.31146610586538 10.811 15 B 0.68815312235723 0.83127550490608 0.18853389413462 10.811 16 B 0.83127550490608 0.68815312235723 0.68853389413462 10.811 17 O 0.72801501961583 0.83564670746593 0.79704163694299 15.999 18 O 0.26537092400584 0.95367024102313 0.71361291649370 15.999 19 O 0.73462907599416 0.04632975897687 0.28638708350630 15.999 20 O 0.83564670746593 0.72801501961583 0.29704163694299 15.999 21 O 0.95367024102313 0.26537092400584 0.21361291649370 15.999 22 O 0.04632975897687 0.73462907599416 0.78638708350630 15.999 23 O 0.27049329748762 0.49784903457081 0.50803829140926 15.999 24 O 0.27198498038417 0.16435329253407 0.20295836305701 15.999 25 O 0.49784903457081 0.27049329748762 0.00803829140926 15.999 26 O 0.50215096542919 0.72950670251238 0.99196170859074 15.999 27 O 0.72950670251238 0.50215096542919 0.49196170859074 15.999 28 O 0.16435329253407 0.27198498038417 0.70295836305701 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.631901331334234 0.000000000000000 0.000000000000000 b 0.000000000000000 9.475762459999999 0.000000000000000 c -10.668923689686929 0.000000000000000 11.785633046878008 Atomic positions (fractional): 1 Cs 0.50000000000000 0.81610237959768 0.37500000000000 132.905 > 1 2 Cs 0.50000000000000 0.81610237959768 0.87500000000000 132.905 > 1 3 Cs 0.00000000000000 0.68389762040232 0.12500000000000 132.905 > 3 4 Cs 0.00000000000000 0.68389762040232 0.62500000000000 132.905 > 3 5 Cs 0.00000000000000 0.31610237959768 0.37500000000000 132.905 > 1 6 Cs 0.00000000000000 0.31610237959768 0.87500000000000 132.905 > 1 7 Cs 0.50000000000000 0.18389762040232 0.12500000000000 132.905 > 3 8 Cs 0.50000000000000 0.18389762040232 0.62500000000000 132.905 > 3 9 Li 0.10297245856516 0.36636472737479 0.11506199725346 6.941 > 9 10 Li 0.10297245856516 0.36636472737479 0.61506199725346 6.941 > 9 11 Li 0.61173792500327 0.68446378486762 0.23079890689593 6.941 > 11 12 Li 0.61173792500327 0.68446378486762 0.73079890689593 6.941 > 11 13 Li 0.39702754143484 0.13363527262521 0.38493800274654 6.941 > 13 14 Li 0.39702754143484 0.13363527262521 0.88493800274654 6.941 > 13 15 Li 0.39702754143484 0.86636472737479 0.13493800274654 6.941 > 15 16 Li 0.39702754143484 0.86636472737479 0.63493800274654 6.941 > 15 17 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 17 18 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 17 19 Li 0.88826207499673 0.81553621513238 0.26920109310407 6.941 > 19 20 Li 0.88826207499673 0.81553621513238 0.76920109310407 6.941 > 19 21 Li 0.10297245856516 0.63363527262521 0.36506199725346 6.941 > 21 22 Li 0.10297245856516 0.63363527262521 0.86506199725346 6.941 > 21 23 Li 0.61173792500327 0.31553621513238 0.48079890689593 6.941 > 23 24 Li 0.61173792500327 0.31553621513238 0.98079890689593 6.941 > 23 25 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 25 26 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 25 27 Li 0.88826207499673 0.18446378486762 0.01920109310407 6.941 > 27 28 Li 0.88826207499673 0.18446378486762 0.51920109310407 6.941 > 27 29 Li 0.60297245856516 0.86636472737479 0.11506199725346 6.941 > 9 30 Li 0.60297245856516 0.86636472737479 0.61506199725346 6.941 > 9 31 Li 0.11173792500327 0.18446378486762 0.23079890689593 6.941 > 11 32 Li 0.11173792500327 0.18446378486762 0.73079890689593 6.941 > 11 33 Li 0.89702754143484 0.63363527262521 0.38493800274654 6.941 > 13 34 Li 0.89702754143484 0.63363527262521 0.88493800274654 6.941 > 13 35 Li 0.89702754143484 0.36636472737479 0.13493800274654 6.941 > 15 36 Li 0.89702754143484 0.36636472737479 0.63493800274654 6.941 > 15 37 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 17 38 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 17 39 Li 0.38826207499673 0.31553621513238 0.26920109310407 6.941 > 19 40 Li 0.38826207499673 0.31553621513238 0.76920109310407 6.941 > 19 41 Li 0.60297245856516 0.13363527262521 0.36506199725346 6.941 > 21 42 Li 0.60297245856516 0.13363527262521 0.86506199725346 6.941 > 21 43 Li 0.11173792500327 0.81553621513238 0.48079890689593 6.941 > 23 44 Li 0.11173792500327 0.81553621513238 0.98079890689593 6.941 > 23 45 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 25 46 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 25 47 Li 0.38826207499673 0.68446378486762 0.01920109310407 6.941 > 27 48 Li 0.38826207499673 0.68446378486762 0.51920109310407 6.941 > 27 49 B 0.24028568636834 0.92843880872557 0.40573305293269 10.811 > 49 50 B 0.24028568636834 0.92843880872557 0.90573305293269 10.811 > 49 51 B 0.74028568636834 0.57156119127443 0.15573305293269 10.811 > 51 52 B 0.74028568636834 0.57156119127443 0.65573305293269 10.811 > 51 53 B 0.25971431363166 0.57156119127443 0.09426694706731 10.811 > 53 54 B 0.25971431363166 0.57156119127443 0.59426694706731 10.811 > 53 55 B 0.75971431363166 0.92843880872557 0.34426694706731 10.811 > 55 56 B 0.75971431363166 0.92843880872557 0.84426694706731 10.811 > 55 57 B 0.74028568636834 0.42843880872557 0.40573305293269 10.811 > 49 58 B 0.74028568636834 0.42843880872557 0.90573305293269 10.811 > 49 59 B 0.24028568636834 0.07156119127443 0.15573305293269 10.811 > 51 60 B 0.24028568636834 0.07156119127443 0.65573305293269 10.811 > 51 61 B 0.75971431363166 0.07156119127443 0.09426694706731 10.811 > 53 62 B 0.75971431363166 0.07156119127443 0.59426694706731 10.811 > 53 63 B 0.25971431363166 0.42843880872557 0.34426694706731 10.811 > 55 64 B 0.25971431363166 0.42843880872557 0.84426694706731 10.811 > 55 65 O 0.28183086354088 0.55381584392505 0.39852081847150 15.999 > 65 66 O 0.28183086354088 0.55381584392505 0.89852081847150 15.999 > 65 67 O 0.10952058251449 0.84414965850864 0.35680645824685 15.999 > 67 68 O 0.10952058251449 0.84414965850864 0.85680645824685 15.999 > 67 69 O 0.39047941748551 0.65585034149136 0.14319354175315 15.999 > 69 70 O 0.39047941748551 0.65585034149136 0.64319354175315 15.999 > 69 71 O 0.28183086354088 0.44618415607495 0.14852081847150 15.999 > 71 72 O 0.28183086354088 0.44618415607495 0.64852081847150 15.999 > 71 73 O 0.10952058251449 0.15585034149136 0.10680645824685 15.999 > 73 74 O 0.10952058251449 0.15585034149136 0.60680645824685 15.999 > 73 75 O 0.39047941748551 0.34414965850864 0.39319354175315 15.999 > 75 76 O 0.39047941748551 0.34414965850864 0.89319354175315 15.999 > 75 77 O 0.38417116602922 0.11367786854160 0.25401914570463 15.999 > 77 78 O 0.38417116602922 0.11367786854160 0.75401914570463 15.999 > 77 79 O 0.21816913645912 0.94618415607495 0.10147918152850 15.999 > 79 80 O 0.21816913645912 0.94618415607495 0.60147918152850 15.999 > 79 81 O 0.88417116602921 0.38632213145840 0.00401914570463 15.999 > 81 82 O 0.88417116602921 0.38632213145840 0.50401914570463 15.999 > 81 83 O 0.61582883397079 0.11367786854160 0.49598085429537 15.999 > 83 84 O 0.61582883397079 0.11367786854160 0.99598085429537 15.999 > 83 85 O 0.11582883397079 0.38632213145840 0.24598085429537 15.999 > 85 86 O 0.11582883397079 0.38632213145840 0.74598085429537 15.999 > 85 87 O 0.21816913645912 0.05381584392505 0.35147918152850 15.999 > 87 88 O 0.21816913645912 0.05381584392505 0.85147918152850 15.999 > 87 89 O 0.78183086354088 0.05381584392505 0.39852081847150 15.999 > 65 90 O 0.78183086354088 0.05381584392505 0.89852081847150 15.999 > 65 91 O 0.60952058251449 0.34414965850864 0.35680645824685 15.999 > 67 92 O 0.60952058251449 0.34414965850864 0.85680645824685 15.999 > 67 93 O 0.89047941748551 0.15585034149136 0.14319354175315 15.999 > 69 94 O 0.89047941748551 0.15585034149136 0.64319354175315 15.999 > 69 95 O 0.78183086354088 0.94618415607495 0.14852081847150 15.999 > 71 96 O 0.78183086354088 0.94618415607495 0.64852081847150 15.999 > 71 97 O 0.60952058251449 0.65585034149136 0.10680645824685 15.999 > 73 98 O 0.60952058251449 0.65585034149136 0.60680645824685 15.999 > 73 99 O 0.89047941748551 0.84414965850864 0.39319354175315 15.999 > 75 100 O 0.89047941748551 0.84414965850864 0.89319354175315 15.999 > 75 101 O 0.88417116602921 0.61367786854160 0.25401914570463 15.999 > 77 102 O 0.88417116602921 0.61367786854160 0.75401914570463 15.999 > 77 103 O 0.71816913645912 0.44618415607495 0.10147918152850 15.999 > 79 104 O 0.71816913645912 0.44618415607495 0.60147918152850 15.999 > 79 105 O 0.38417116602922 0.88632213145840 0.00401914570463 15.999 > 81 106 O 0.38417116602922 0.88632213145840 0.50401914570463 15.999 > 81 107 O 0.11582883397079 0.61367786854160 0.49598085429537 15.999 > 83 108 O 0.11582883397079 0.61367786854160 0.99598085429537 15.999 > 83 109 O 0.61582883397079 0.88632213145840 0.24598085429537 15.999 > 85 110 O 0.61582883397079 0.88632213145840 0.74598085429537 15.999 > 85 111 O 0.71816913645912 0.55381584392505 0.35147918152850 15.999 > 87 112 O 0.71816913645912 0.55381584392505 0.85147918152850 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6334510 0.0000000 0.0532479 0.0000000 2.6861603 0.0000000 0.0532500 0.0000000 2.7098540 -------------------------- Born effective charges -------------------------- 1 Cs 1.3014324 0.0000000 -0.1952731 0.0000000 1.3487110 0.0000000 -0.1876081 -0.0000000 1.3784503 2 Cs 1.3014324 0.0000000 -0.1952731 0.0000000 1.3487110 0.0000000 -0.1876081 -0.0000000 1.3784503 3 Li 1.0195201 -0.0226702 0.0125013 0.0047939 1.0094159 -0.0008818 -0.0124653 -0.0223531 1.0555228 4 Li 1.0542764 0.0246876 0.0228808 0.0219482 1.0039861 -0.0301599 0.0488602 -0.0226179 0.9995211 5 Li 1.0195201 -0.0226702 0.0125013 0.0047939 1.0094159 -0.0008818 -0.0124653 -0.0223531 1.0555228 6 Li 1.0195201 0.0226702 0.0125013 -0.0047939 1.0094159 0.0008818 -0.0124653 0.0223531 1.0555228 7 Li 0.8953610 0.0024135 0.2179957 0.0098473 0.8876877 0.1389791 0.2305656 0.1293703 1.0212199 8 Li 1.0542764 0.0246876 0.0228808 0.0219482 1.0039861 -0.0301599 0.0488602 -0.0226179 0.9995211 9 Li 1.0195201 0.0226702 0.0125013 -0.0047939 1.0094159 0.0008818 -0.0124653 0.0223531 1.0555228 10 Li 1.0542764 -0.0246876 0.0228808 -0.0219482 1.0039861 0.0301599 0.0488602 0.0226179 0.9995211 11 Li 0.8953610 -0.0024135 0.2179957 -0.0098473 0.8876877 -0.1389791 0.2305656 -0.1293703 1.0212199 12 Li 1.0542764 -0.0246876 0.0228808 -0.0219482 1.0039861 0.0301599 0.0488602 0.0226179 0.9995211 13 B 1.5166982 0.7167600 0.8628209 0.7951502 2.0040589 -0.5603543 0.8515587 -0.5833910 1.9441503 14 B 1.5166982 -0.7167600 0.8628209 -0.7951502 2.0040589 0.5603543 0.8515587 0.5833910 1.9441503 15 B 1.5166982 0.7167600 0.8628209 0.7951502 2.0040589 -0.5603543 0.8515587 -0.5833910 1.9441503 16 B 1.5166982 -0.7167600 0.8628209 -0.7951502 2.0040589 0.5603543 0.8515587 0.5833910 1.9441503 17 O -1.3363570 0.3129766 -0.0450713 0.2968018 -1.9925489 -0.5182179 -0.0775293 -0.4904344 -1.5656057 18 O -1.7764981 -0.4980747 -0.4095816 -0.5212355 -1.6908777 -0.1609222 -0.4255179 -0.1493800 -1.5646813 19 O -1.7764981 -0.4980747 -0.4095816 -0.5212355 -1.6908777 -0.1609222 -0.4255179 -0.1493800 -1.5646813 20 O -1.3363570 -0.3129766 -0.0450713 -0.2968018 -1.9925489 0.5182179 -0.0775293 0.4904344 -1.5656057 21 O -1.7764981 0.4980747 -0.4095816 0.5212355 -1.6908777 0.1609222 -0.4255179 0.1493800 -1.5646813 22 O -1.7764981 0.4980747 -0.4095816 0.5212355 -1.6908777 0.1609222 -0.4255179 0.1493800 -1.5646813 23 O -1.5760362 -0.0687541 -0.4549113 -0.0404042 -1.4522337 -0.2580422 -0.4063853 -0.2346934 -2.0687423 24 O -1.3363570 0.3129766 -0.0450713 0.2968018 -1.9925489 -0.5182179 -0.0775293 -0.4904344 -1.5656057 25 O -1.5760362 0.0687541 -0.4549113 0.0404042 -1.4522337 0.2580422 -0.4063853 0.2346934 -2.0687423 26 O -1.5760362 0.0687541 -0.4549113 0.0404042 -1.4522337 0.2580422 -0.4063853 0.2346934 -2.0687423 27 O -1.5760362 -0.0687541 -0.4549113 -0.0404042 -1.4522337 -0.2580422 -0.4063853 -0.2346934 -2.0687423 28 O -1.3363570 -0.3129766 -0.0450713 -0.2968018 -1.9925489 0.5182179 -0.0775293 0.4904344 -1.5656057 ---------------------------------------------------------------------------- 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] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] 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] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] 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] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Computing fc3[ 67, 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] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0067 0.0000 0.0074] [ 0.0067 0.0000 -0.0074] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:43:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:43:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.815950665667117 -4.737881229999999 0.000000000000000 b 5.815950665667117 4.737881229999999 0.000000000000000 c -5.334461844843465 0.000000000000000 5.892816523439004 Atomic positions (fractional): 1 Cs 0.68389762040232 0.31610237959768 0.75000000000000 132.905 2 Cs 0.31610237959768 0.68389762040232 0.25000000000000 132.905 3 Li 0.73660773119037 0.46933718593994 0.23012399450692 6.941 4 Li 0.92727414013564 0.29620170987089 0.46159781379185 6.941 5 Li 0.26339226880963 0.53066281406006 0.76987600549308 6.941 6 Li 0.53066281406006 0.26339226880963 0.26987600549308 6.941 7 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 8 Li 0.07272585986436 0.70379829012911 0.53840218620815 6.941 9 Li 0.46933718593994 0.73660773119037 0.73012399450692 6.941 10 Li 0.29620170987089 0.92727414013565 0.96159781379185 6.941 11 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 12 Li 0.70379829012911 0.07272585986435 0.03840218620815 6.941 13 B 0.31184687764277 0.16872449509392 0.81146610586538 10.811 14 B 0.16872449509392 0.31184687764277 0.31146610586538 10.811 15 B 0.68815312235723 0.83127550490608 0.18853389413462 10.811 16 B 0.83127550490608 0.68815312235723 0.68853389413462 10.811 17 O 0.72801501961583 0.83564670746593 0.79704163694299 15.999 18 O 0.26537092400584 0.95367024102313 0.71361291649370 15.999 19 O 0.73462907599416 0.04632975897687 0.28638708350630 15.999 20 O 0.83564670746593 0.72801501961583 0.29704163694299 15.999 21 O 0.95367024102313 0.26537092400584 0.21361291649370 15.999 22 O 0.04632975897687 0.73462907599416 0.78638708350630 15.999 23 O 0.27049329748762 0.49784903457081 0.50803829140926 15.999 24 O 0.27198498038417 0.16435329253407 0.20295836305701 15.999 25 O 0.49784903457081 0.27049329748762 0.00803829140926 15.999 26 O 0.50215096542919 0.72950670251238 0.99196170859074 15.999 27 O 0.72950670251238 0.50215096542919 0.49196170859074 15.999 28 O 0.16435329253407 0.27198498038417 0.70295836305701 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.631901331334234 0.000000000000000 0.000000000000000 b 0.000000000000000 9.475762459999999 0.000000000000000 c -10.668923689686929 0.000000000000000 11.785633046878008 Atomic positions (fractional): 1 Cs 0.50000000000000 0.81610237959768 0.37500000000000 132.905 > 1 2 Cs 0.50000000000000 0.81610237959768 0.87500000000000 132.905 > 1 3 Cs 0.00000000000000 0.68389762040232 0.12500000000000 132.905 > 3 4 Cs 0.00000000000000 0.68389762040232 0.62500000000000 132.905 > 3 5 Cs 0.00000000000000 0.31610237959768 0.37500000000000 132.905 > 1 6 Cs 0.00000000000000 0.31610237959768 0.87500000000000 132.905 > 1 7 Cs 0.50000000000000 0.18389762040232 0.12500000000000 132.905 > 3 8 Cs 0.50000000000000 0.18389762040232 0.62500000000000 132.905 > 3 9 Li 0.10297245856516 0.36636472737479 0.11506199725346 6.941 > 9 10 Li 0.10297245856516 0.36636472737479 0.61506199725346 6.941 > 9 11 Li 0.61173792500327 0.68446378486762 0.23079890689593 6.941 > 11 12 Li 0.61173792500327 0.68446378486762 0.73079890689593 6.941 > 11 13 Li 0.39702754143484 0.13363527262521 0.38493800274654 6.941 > 13 14 Li 0.39702754143484 0.13363527262521 0.88493800274654 6.941 > 13 15 Li 0.39702754143484 0.86636472737479 0.13493800274654 6.941 > 15 16 Li 0.39702754143484 0.86636472737479 0.63493800274654 6.941 > 15 17 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 17 18 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 17 19 Li 0.88826207499673 0.81553621513238 0.26920109310407 6.941 > 19 20 Li 0.88826207499673 0.81553621513238 0.76920109310407 6.941 > 19 21 Li 0.10297245856516 0.63363527262521 0.36506199725346 6.941 > 21 22 Li 0.10297245856516 0.63363527262521 0.86506199725346 6.941 > 21 23 Li 0.61173792500327 0.31553621513238 0.48079890689593 6.941 > 23 24 Li 0.61173792500327 0.31553621513238 0.98079890689593 6.941 > 23 25 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 25 26 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 25 27 Li 0.88826207499673 0.18446378486762 0.01920109310407 6.941 > 27 28 Li 0.88826207499673 0.18446378486762 0.51920109310407 6.941 > 27 29 Li 0.60297245856516 0.86636472737479 0.11506199725346 6.941 > 9 30 Li 0.60297245856516 0.86636472737479 0.61506199725346 6.941 > 9 31 Li 0.11173792500327 0.18446378486762 0.23079890689593 6.941 > 11 32 Li 0.11173792500327 0.18446378486762 0.73079890689593 6.941 > 11 33 Li 0.89702754143484 0.63363527262521 0.38493800274654 6.941 > 13 34 Li 0.89702754143484 0.63363527262521 0.88493800274654 6.941 > 13 35 Li 0.89702754143484 0.36636472737479 0.13493800274654 6.941 > 15 36 Li 0.89702754143484 0.36636472737479 0.63493800274654 6.941 > 15 37 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 17 38 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 17 39 Li 0.38826207499673 0.31553621513238 0.26920109310407 6.941 > 19 40 Li 0.38826207499673 0.31553621513238 0.76920109310407 6.941 > 19 41 Li 0.60297245856516 0.13363527262521 0.36506199725346 6.941 > 21 42 Li 0.60297245856516 0.13363527262521 0.86506199725346 6.941 > 21 43 Li 0.11173792500327 0.81553621513238 0.48079890689593 6.941 > 23 44 Li 0.11173792500327 0.81553621513238 0.98079890689593 6.941 > 23 45 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 25 46 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 25 47 Li 0.38826207499673 0.68446378486762 0.01920109310407 6.941 > 27 48 Li 0.38826207499673 0.68446378486762 0.51920109310407 6.941 > 27 49 B 0.24028568636834 0.92843880872557 0.40573305293269 10.811 > 49 50 B 0.24028568636834 0.92843880872557 0.90573305293269 10.811 > 49 51 B 0.74028568636834 0.57156119127443 0.15573305293269 10.811 > 51 52 B 0.74028568636834 0.57156119127443 0.65573305293269 10.811 > 51 53 B 0.25971431363166 0.57156119127443 0.09426694706731 10.811 > 53 54 B 0.25971431363166 0.57156119127443 0.59426694706731 10.811 > 53 55 B 0.75971431363166 0.92843880872557 0.34426694706731 10.811 > 55 56 B 0.75971431363166 0.92843880872557 0.84426694706731 10.811 > 55 57 B 0.74028568636834 0.42843880872557 0.40573305293269 10.811 > 49 58 B 0.74028568636834 0.42843880872557 0.90573305293269 10.811 > 49 59 B 0.24028568636834 0.07156119127443 0.15573305293269 10.811 > 51 60 B 0.24028568636834 0.07156119127443 0.65573305293269 10.811 > 51 61 B 0.75971431363166 0.07156119127443 0.09426694706731 10.811 > 53 62 B 0.75971431363166 0.07156119127443 0.59426694706731 10.811 > 53 63 B 0.25971431363166 0.42843880872557 0.34426694706731 10.811 > 55 64 B 0.25971431363166 0.42843880872557 0.84426694706731 10.811 > 55 65 O 0.28183086354088 0.55381584392505 0.39852081847150 15.999 > 65 66 O 0.28183086354088 0.55381584392505 0.89852081847150 15.999 > 65 67 O 0.10952058251449 0.84414965850864 0.35680645824685 15.999 > 67 68 O 0.10952058251449 0.84414965850864 0.85680645824685 15.999 > 67 69 O 0.39047941748551 0.65585034149136 0.14319354175315 15.999 > 69 70 O 0.39047941748551 0.65585034149136 0.64319354175315 15.999 > 69 71 O 0.28183086354088 0.44618415607495 0.14852081847150 15.999 > 71 72 O 0.28183086354088 0.44618415607495 0.64852081847150 15.999 > 71 73 O 0.10952058251449 0.15585034149136 0.10680645824685 15.999 > 73 74 O 0.10952058251449 0.15585034149136 0.60680645824685 15.999 > 73 75 O 0.39047941748551 0.34414965850864 0.39319354175315 15.999 > 75 76 O 0.39047941748551 0.34414965850864 0.89319354175315 15.999 > 75 77 O 0.38417116602922 0.11367786854160 0.25401914570463 15.999 > 77 78 O 0.38417116602922 0.11367786854160 0.75401914570463 15.999 > 77 79 O 0.21816913645912 0.94618415607495 0.10147918152850 15.999 > 79 80 O 0.21816913645912 0.94618415607495 0.60147918152850 15.999 > 79 81 O 0.88417116602921 0.38632213145840 0.00401914570463 15.999 > 81 82 O 0.88417116602921 0.38632213145840 0.50401914570463 15.999 > 81 83 O 0.61582883397079 0.11367786854160 0.49598085429537 15.999 > 83 84 O 0.61582883397079 0.11367786854160 0.99598085429537 15.999 > 83 85 O 0.11582883397079 0.38632213145840 0.24598085429537 15.999 > 85 86 O 0.11582883397079 0.38632213145840 0.74598085429537 15.999 > 85 87 O 0.21816913645912 0.05381584392505 0.35147918152850 15.999 > 87 88 O 0.21816913645912 0.05381584392505 0.85147918152850 15.999 > 87 89 O 0.78183086354088 0.05381584392505 0.39852081847150 15.999 > 65 90 O 0.78183086354088 0.05381584392505 0.89852081847150 15.999 > 65 91 O 0.60952058251449 0.34414965850864 0.35680645824685 15.999 > 67 92 O 0.60952058251449 0.34414965850864 0.85680645824685 15.999 > 67 93 O 0.89047941748551 0.15585034149136 0.14319354175315 15.999 > 69 94 O 0.89047941748551 0.15585034149136 0.64319354175315 15.999 > 69 95 O 0.78183086354088 0.94618415607495 0.14852081847150 15.999 > 71 96 O 0.78183086354088 0.94618415607495 0.64852081847150 15.999 > 71 97 O 0.60952058251449 0.65585034149136 0.10680645824685 15.999 > 73 98 O 0.60952058251449 0.65585034149136 0.60680645824685 15.999 > 73 99 O 0.89047941748551 0.84414965850864 0.39319354175315 15.999 > 75 100 O 0.89047941748551 0.84414965850864 0.89319354175315 15.999 > 75 101 O 0.88417116602921 0.61367786854160 0.25401914570463 15.999 > 77 102 O 0.88417116602921 0.61367786854160 0.75401914570463 15.999 > 77 103 O 0.71816913645912 0.44618415607495 0.10147918152850 15.999 > 79 104 O 0.71816913645912 0.44618415607495 0.60147918152850 15.999 > 79 105 O 0.38417116602922 0.88632213145840 0.00401914570463 15.999 > 81 106 O 0.38417116602922 0.88632213145840 0.50401914570463 15.999 > 81 107 O 0.11582883397079 0.61367786854160 0.49598085429537 15.999 > 83 108 O 0.11582883397079 0.61367786854160 0.99598085429537 15.999 > 83 109 O 0.61582883397079 0.88632213145840 0.24598085429537 15.999 > 85 110 O 0.61582883397079 0.88632213145840 0.74598085429537 15.999 > 85 111 O 0.71816913645912 0.55381584392505 0.35147918152850 15.999 > 87 112 O 0.71816913645912 0.55381584392505 0.85147918152850 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6334510 0.0000000 0.0532479 0.0000000 2.6861603 0.0000000 0.0532500 0.0000000 2.7098540 -------------------------- Born effective charges -------------------------- 1 Cs 1.3014324 0.0000000 -0.1952731 0.0000000 1.3487110 0.0000000 -0.1876081 -0.0000000 1.3784503 2 Cs 1.3014324 0.0000000 -0.1952731 0.0000000 1.3487110 0.0000000 -0.1876081 -0.0000000 1.3784503 3 Li 1.0195201 -0.0226702 0.0125013 0.0047939 1.0094159 -0.0008818 -0.0124653 -0.0223531 1.0555228 4 Li 1.0542764 0.0246876 0.0228808 0.0219482 1.0039861 -0.0301599 0.0488602 -0.0226179 0.9995211 5 Li 1.0195201 -0.0226702 0.0125013 0.0047939 1.0094159 -0.0008818 -0.0124653 -0.0223531 1.0555228 6 Li 1.0195201 0.0226702 0.0125013 -0.0047939 1.0094159 0.0008818 -0.0124653 0.0223531 1.0555228 7 Li 0.8953610 0.0024135 0.2179957 0.0098473 0.8876877 0.1389791 0.2305656 0.1293703 1.0212199 8 Li 1.0542764 0.0246876 0.0228808 0.0219482 1.0039861 -0.0301599 0.0488602 -0.0226179 0.9995211 9 Li 1.0195201 0.0226702 0.0125013 -0.0047939 1.0094159 0.0008818 -0.0124653 0.0223531 1.0555228 10 Li 1.0542764 -0.0246876 0.0228808 -0.0219482 1.0039861 0.0301599 0.0488602 0.0226179 0.9995211 11 Li 0.8953610 -0.0024135 0.2179957 -0.0098473 0.8876877 -0.1389791 0.2305656 -0.1293703 1.0212199 12 Li 1.0542764 -0.0246876 0.0228808 -0.0219482 1.0039861 0.0301599 0.0488602 0.0226179 0.9995211 13 B 1.5166982 0.7167600 0.8628209 0.7951502 2.0040589 -0.5603543 0.8515587 -0.5833910 1.9441503 14 B 1.5166982 -0.7167600 0.8628209 -0.7951502 2.0040589 0.5603543 0.8515587 0.5833910 1.9441503 15 B 1.5166982 0.7167600 0.8628209 0.7951502 2.0040589 -0.5603543 0.8515587 -0.5833910 1.9441503 16 B 1.5166982 -0.7167600 0.8628209 -0.7951502 2.0040589 0.5603543 0.8515587 0.5833910 1.9441503 17 O -1.3363570 0.3129766 -0.0450713 0.2968018 -1.9925489 -0.5182179 -0.0775293 -0.4904344 -1.5656057 18 O -1.7764981 -0.4980747 -0.4095816 -0.5212355 -1.6908777 -0.1609222 -0.4255179 -0.1493800 -1.5646813 19 O -1.7764981 -0.4980747 -0.4095816 -0.5212355 -1.6908777 -0.1609222 -0.4255179 -0.1493800 -1.5646813 20 O -1.3363570 -0.3129766 -0.0450713 -0.2968018 -1.9925489 0.5182179 -0.0775293 0.4904344 -1.5656057 21 O -1.7764981 0.4980747 -0.4095816 0.5212355 -1.6908777 0.1609222 -0.4255179 0.1493800 -1.5646813 22 O -1.7764981 0.4980747 -0.4095816 0.5212355 -1.6908777 0.1609222 -0.4255179 0.1493800 -1.5646813 23 O -1.5760362 -0.0687541 -0.4549113 -0.0404042 -1.4522337 -0.2580422 -0.4063853 -0.2346934 -2.0687423 24 O -1.3363570 0.3129766 -0.0450713 0.2968018 -1.9925489 -0.5182179 -0.0775293 -0.4904344 -1.5656057 25 O -1.5760362 0.0687541 -0.4549113 0.0404042 -1.4522337 0.2580422 -0.4063853 0.2346934 -2.0687423 26 O -1.5760362 0.0687541 -0.4549113 0.0404042 -1.4522337 0.2580422 -0.4063853 0.2346934 -2.0687423 27 O -1.5760362 -0.0687541 -0.4549113 -0.0404042 -1.4522337 -0.2580422 -0.4063853 -0.2346934 -2.0687423 28 O -1.3363570 -0.3129766 -0.0450713 -0.2968018 -1.9925489 0.5182179 -0.0775293 0.4904344 -1.5656057 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 309, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/150) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.876 ( 0.000 0.000 0.000) 0.000 0.972 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.581 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 4.811 ( 0.000 0.000 0.000) 0.000 4.912 ( 0.000 0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 5.562 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 6.744 ( 0.000 0.000 0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.590 ( 0.000 0.000 0.000) 0.000 7.728 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 0.000) 0.000 8.773 ( 0.000 0.000 0.000) 0.000 8.836 ( 0.000 0.000 0.000) 0.000 9.454 ( 0.000 0.000 0.000) 0.000 9.574 ( 0.000 0.000 0.000) 0.000 9.721 ( 0.000 0.000 0.000) 0.000 10.365 ( 0.000 0.000 0.000) 0.000 10.618 ( 0.000 0.000 0.000) 0.000 10.775 ( 0.000 0.000 0.000) 0.000 11.176 ( 0.000 0.000 0.000) 0.000 11.236 ( 0.000 0.000 0.000) 0.000 11.772 ( 0.000 0.000 0.000) 0.000 11.886 ( 0.000 0.000 0.000) 0.000 11.896 ( 0.000 0.000 0.000) 0.000 12.142 ( 0.000 0.000 0.000) 0.000 12.419 ( 0.000 0.000 0.000) 0.000 12.689 ( 0.000 0.000 0.000) 0.000 12.892 ( 0.000 0.000 0.000) 0.000 13.487 ( 0.000 0.000 0.000) 0.000 13.583 ( 0.000 0.000 0.000) 0.000 13.624 ( 0.000 0.000 0.000) 0.000 14.026 ( 0.000 0.000 0.000) 0.000 14.307 ( 0.000 0.000 0.000) 0.000 14.356 ( 0.000 0.000 0.000) 0.000 15.717 ( 0.000 0.000 0.000) 0.000 15.971 ( 0.000 0.000 0.000) 0.000 16.179 ( 0.000 0.000 0.000) 0.000 16.830 ( 0.000 0.000 0.000) 0.000 16.839 ( 0.000 0.000 0.000) 0.000 17.002 ( 0.000 0.000 0.000) 0.000 17.260 ( 0.000 0.000 0.000) 0.000 17.568 ( 0.000 0.000 0.000) 0.000 17.796 ( 0.000 0.000 0.000) 0.000 18.025 ( 0.000 0.000 0.000) 0.000 18.237 ( 0.000 0.000 0.000) 0.000 18.483 ( 0.000 0.000 0.000) 0.000 18.512 ( 0.000 0.000 0.000) 0.000 18.683 ( 0.000 0.000 0.000) 0.000 19.146 ( 0.000 0.000 0.000) 0.000 19.180 ( 0.000 0.000 0.000) 0.000 19.909 ( 0.000 0.000 0.000) 0.000 20.194 ( 0.000 0.000 0.000) 0.000 21.597 ( 0.000 0.000 0.000) 0.000 21.637 ( 0.000 0.000 0.000) 0.000 21.645 ( 0.000 0.000 0.000) 0.000 21.819 ( 0.000 0.000 0.000) 0.000 27.782 ( 0.000 0.000 0.000) 0.000 27.824 ( 0.000 0.000 0.000) 0.000 27.860 ( 0.000 0.000 0.000) 0.000 27.942 ( 0.000 0.000 0.000) 0.000 35.573 ( 0.000 0.000 0.000) 0.000 36.136 ( 0.000 0.000 0.000) 0.000 36.225 ( 0.000 0.000 0.000) 0.000 37.123 ( 0.000 0.000 0.000) 0.000 38.690 ( 0.000 0.000 0.000) 0.000 38.997 ( 0.000 0.000 0.000) 0.000 39.144 ( 0.000 0.000 0.000) 0.000 39.967 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/150) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 15.445 -17.031 12.533) 26.185 0.679 ( 16.761 -0.787 15.430) 22.796 0.826 ( 3.832 -18.268 11.387) 21.865 1.024 ( 5.552 -7.129 1.115) 9.104 1.453 ( -0.668 1.273 -0.633) 1.571 1.578 ( -0.131 0.240 0.477) 0.550 1.787 ( 45.850 -8.308 52.483) 70.183 2.370 ( 11.187 -5.169 -9.520) 15.572 2.488 ( -8.813 -26.698 22.185) 35.814 2.973 ( -8.778 6.950 2.345) 11.439 3.161 ( -8.366 0.275 -7.319) 11.119 3.262 ( 6.992 -3.998 -3.408) 8.746 3.692 ( 1.316 -10.271 0.356) 10.361 4.060 ( 5.578 -3.712 8.140) 10.543 4.775 ( 2.278 2.508 -5.713) 6.642 4.999 ( 3.583 -2.694 7.080) 8.380 5.040 ( 9.664 -3.458 7.327) 12.610 5.516 ( 7.311 9.006 -3.983) 12.265 5.612 ( -0.110 0.283 5.340) 5.349 6.035 ( 1.324 -15.997 3.223) 16.373 6.273 ( 1.420 6.348 -2.881) 7.114 6.736 ( 0.249 -0.216 -8.430) 8.436 7.144 ( 0.056 0.815 0.424) 0.920 7.482 ( -6.777 10.241 -1.557) 12.378 7.785 ( 2.935 -4.735 0.347) 5.581 8.209 ( -5.099 5.541 -3.428) 8.273 8.299 ( -2.548 9.195 -9.808) 13.683 8.739 ( -3.985 5.543 -0.735) 6.867 8.825 ( 1.753 2.305 0.267) 2.909 9.312 ( -9.398 1.978 -11.031) 14.626 9.476 ( -6.123 -0.797 -14.916) 16.143 9.730 ( -4.840 0.957 0.718) 4.985 10.338 ( -2.948 1.505 0.900) 3.430 10.645 ( 3.657 1.421 0.048) 3.924 10.738 ( -4.498 -1.019 -2.400) 5.199 11.229 ( 0.405 0.558 -3.269) 3.341 11.387 ( 5.622 24.451 8.980) 26.648 11.684 ( -7.037 2.407 -6.652) 9.979 11.925 ( 4.843 2.305 6.983) 8.805 12.224 ( 8.497 -1.681 2.659) 9.061 12.332 ( -3.197 -0.394 7.211) 7.898 12.432 ( -6.664 -1.938 6.127) 9.257 12.719 ( 8.709 6.377 3.540) 11.359 12.871 ( -5.322 -4.895 -4.744) 8.649 13.482 ( -0.368 1.463 -1.376) 2.042 13.596 ( -2.596 0.285 4.183) 4.931 13.693 ( 1.946 -10.676 1.478) 10.952 14.175 ( 19.029 0.865 -2.265) 19.183 14.327 ( -13.933 -11.355 0.403) 17.978 15.026 ( -6.408 -35.573 -31.090) 47.677 15.653 ( -10.112 0.173 -8.717) 13.352 15.950 ( -8.862 -7.065 -4.152) 12.070 16.284 ( 8.670 -2.305 3.606) 9.669 16.747 ( -7.574 13.322 -4.460) 15.960 16.817 ( 2.038 10.230 -5.030) 11.581 17.140 ( -3.610 12.030 9.840) 15.956 17.382 ( -2.384 -8.967 -5.707) 10.893 17.658 ( -3.130 -11.932 0.351) 12.341 18.038 ( 2.890 0.048 0.437) 2.923 18.324 ( 2.239 -5.734 3.780) 7.223 18.453 ( 5.618 2.692 -0.021) 6.230 18.569 ( -0.934 -5.395 -2.660) 6.087 18.697 ( 9.161 9.734 9.470) 16.381 18.764 ( 14.053 20.707 20.896) 32.602 19.184 ( 1.764 0.756 3.168) 3.704 19.506 ( 1.770 15.851 12.974) 20.560 19.932 ( 1.285 -1.077 1.085) 1.997 20.191 ( -1.340 0.010 0.853) 1.589 21.598 ( -0.306 -0.262 0.052) 0.406 21.627 ( 1.155 1.435 -0.298) 1.867 21.668 ( 1.955 -1.418 -0.831) 2.554 21.964 ( -6.751 -10.124 -8.456) 14.818 27.782 ( -0.938 -0.832 -0.277) 1.285 27.833 ( -0.109 -1.150 0.017) 1.156 27.857 ( 0.659 0.677 -0.242) 0.975 27.953 ( 0.121 2.200 1.288) 2.552 35.598 ( -0.635 -3.236 1.202) 3.510 36.073 ( -4.353 3.838 -1.024) 5.893 36.581 ( 27.677 25.629 7.349) 38.431 37.829 ( -6.474 -31.101 -45.663) 55.626 38.996 ( 2.237 1.001 -2.105) 3.231 39.111 ( -0.121 1.065 -3.165) 3.342 39.795 ( 1.700 20.063 36.110) 41.345 40.542 ( -19.879 13.300 38.355) 45.201 ======================= Grid point 2 (3/150) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 6.332 7.242 6.301) 11.500 0.993 ( -2.276 -5.959 -0.600) 6.407 1.073 ( 8.851 -13.208 9.810) 18.683 1.318 ( 6.247 -1.542 6.010) 8.805 1.468 ( -0.581 -11.951 -1.187) 12.024 1.570 ( -0.502 0.801 0.420) 1.034 2.435 ( -4.290 -4.963 10.592) 12.459 2.487 ( 8.875 -5.580 -1.736) 10.626 2.699 ( 11.116 7.839 13.724) 19.322 2.952 ( -16.070 -6.282 -10.806) 20.359 3.263 ( 18.344 -1.319 14.426) 23.374 3.833 ( 0.934 -13.238 13.357) 18.829 3.894 ( 36.013 -26.103 29.034) 53.116 4.275 ( 6.743 -4.900 10.460) 13.375 4.702 ( 3.873 1.823 -2.517) 4.966 5.121 ( 5.621 4.769 10.639) 12.943 5.349 ( 14.830 -8.148 11.146) 20.263 5.545 ( 9.286 -2.466 -5.035) 10.847 5.667 ( -2.568 -4.456 0.277) 5.151 6.099 ( 2.003 12.576 -8.639) 15.388 6.267 ( -1.774 -9.959 5.354) 11.445 6.666 ( -0.544 -3.748 -6.816) 7.797 7.027 ( -3.004 13.668 -8.618) 16.435 7.303 ( -6.126 1.615 6.003) 8.728 7.888 ( 0.399 -7.273 -2.517) 7.707 8.007 ( -7.668 7.751 -7.325) 13.136 8.055 ( -8.109 6.704 -0.003) 10.522 8.504 ( -9.823 9.491 -8.389) 16.030 8.778 ( -0.097 5.290 -3.238) 6.204 9.042 ( -13.552 4.017 -18.986) 23.670 9.230 ( -8.487 -3.062 -13.053) 15.868 9.612 ( -6.721 6.295 -1.780) 9.379 10.295 ( -2.617 2.167 1.805) 3.848 10.590 ( -2.891 2.392 -5.405) 6.579 10.694 ( -1.863 1.213 -2.338) 3.226 11.126 ( 2.388 12.086 1.100) 12.368 11.294 ( -0.610 1.055 -2.108) 2.435 11.509 ( -6.530 1.822 -5.586) 8.784 12.027 ( 4.908 1.085 6.713) 8.387 12.302 ( -2.633 1.334 -0.112) 2.954 12.374 ( 6.198 -3.172 3.215) 7.669 12.488 ( 1.548 -0.164 3.887) 4.187 12.759 ( 8.773 7.033 2.852) 11.600 12.826 ( -7.493 -6.342 -4.924) 10.982 13.439 ( -1.305 -0.918 -2.924) 3.331 13.654 ( -0.445 -1.669 6.096) 6.336 13.917 ( 4.649 -13.139 2.993) 14.255 14.179 ( -4.974 -3.170 -5.382) 7.984 14.525 ( 8.782 -8.410 7.378) 14.223 15.134 ( 4.328 -9.388 -6.263) 12.087 15.470 ( -10.191 0.230 -2.628) 10.527 15.872 ( -7.205 -1.266 -6.929) 10.076 16.305 ( -5.634 11.886 -8.233) 15.518 16.529 ( 3.890 -2.954 3.060) 5.764 16.657 ( 0.836 13.641 -1.228) 13.722 17.053 ( -2.535 5.468 5.136) 7.918 17.442 ( -1.933 -8.433 -1.994) 8.879 17.714 ( -1.789 -0.576 -5.233) 5.560 18.028 ( -0.223 1.503 -3.313) 3.645 18.419 ( -0.132 -6.858 6.431) 9.403 18.531 ( -2.558 -7.088 -5.842) 9.535 18.644 ( 9.783 -5.752 0.173) 11.350 18.728 ( 11.754 18.911 13.117) 25.843 18.948 ( 5.998 -1.795 12.811) 14.259 19.249 ( 4.298 3.090 9.264) 10.670 19.421 ( -1.914 4.647 -1.771) 5.328 19.965 ( 2.036 -0.252 -0.743) 2.182 20.181 ( -2.744 -0.530 0.916) 2.941 21.599 ( -0.488 -0.506 0.072) 0.707 21.620 ( 0.876 1.256 0.176) 1.541 21.706 ( 1.871 -1.500 0.360) 2.425 21.934 ( -4.185 -3.521 -3.989) 6.770 27.784 ( -1.382 -1.538 -0.046) 2.068 27.844 ( 0.196 -0.620 -0.585) 0.875 27.853 ( 0.606 0.745 -0.082) 0.963 27.936 ( -0.110 1.807 0.777) 1.970 35.661 ( -1.318 -5.146 1.969) 5.665 35.961 ( -4.527 3.266 -0.928) 5.659 36.588 ( 13.140 13.833 1.873) 19.171 37.698 ( -4.639 -7.687 -20.081) 21.996 38.969 ( 1.994 2.382 -2.847) 4.214 39.088 ( 0.718 -1.674 -2.870) 3.399 39.912 ( -0.604 4.677 18.966) 19.544 40.520 ( -8.917 6.261 15.560) 18.995 ======================= Grid point 3 (4/150) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 3.301 3.590 3.686) 6.113 1.022 ( -1.218 -2.958 -1.021) 3.358 1.275 ( -1.797 -1.703 3.479) 4.270 1.401 ( 5.968 -2.932 1.020) 6.727 1.553 ( -0.634 1.572 1.203) 2.079 1.621 ( -0.100 -7.659 0.135) 7.661 2.319 ( -7.232 6.875 1.788) 10.138 2.600 ( 8.729 1.013 0.451) 8.800 2.746 ( -13.225 -5.629 -6.160) 15.638 3.053 ( 10.606 -6.827 6.760) 14.310 3.741 ( 17.233 -15.658 18.450) 29.707 3.923 ( 2.249 -2.247 -0.720) 3.260 4.396 ( 4.970 -3.343 3.885) 7.139 4.582 ( 5.593 -1.998 6.057) 8.483 5.115 ( 0.369 6.882 4.081) 8.010 5.304 ( 23.557 -6.054 37.661) 44.833 5.543 ( -0.447 0.666 -8.014) 8.054 5.615 ( 2.392 -3.043 1.410) 4.119 5.834 ( 11.392 -8.262 -6.652) 15.566 5.913 ( 10.528 -4.096 7.068) 13.326 6.265 ( -7.195 0.368 -1.802) 7.427 6.718 ( 3.662 6.498 -5.764) 9.426 6.823 ( -0.679 -3.367 8.789) 9.437 7.322 ( -0.135 -2.777 1.897) 3.365 7.756 ( -13.584 0.818 -5.682) 14.748 7.858 ( -7.904 8.726 1.003) 11.816 7.929 ( -6.254 -2.478 -11.521) 13.341 8.277 ( -0.566 0.471 -5.360) 5.410 8.528 ( -16.264 7.677 -21.718) 28.198 8.614 ( -2.984 9.570 -7.916) 12.773 9.183 ( -2.111 -3.937 -0.328) 4.480 9.421 ( -5.584 7.296 -2.830) 9.613 10.267 ( -1.051 1.978 2.441) 3.313 10.459 ( -4.495 1.872 -5.757) 7.540 10.602 ( -1.300 3.815 -3.832) 5.561 11.042 ( 1.684 7.929 3.665) 8.896 11.247 ( -2.176 -2.289 -5.447) 6.296 11.420 ( -2.272 0.632 -0.242) 2.371 12.120 ( 3.534 -0.015 4.167) 5.464 12.255 ( -2.298 1.027 -0.556) 2.578 12.504 ( 7.307 -2.637 -1.105) 7.846 12.531 ( -0.441 0.258 4.817) 4.844 12.758 ( 0.035 -5.413 -9.287) 10.749 12.798 ( -0.671 5.464 6.072) 8.196 13.433 ( -0.005 -1.678 -0.972) 1.939 13.707 ( -1.579 -0.385 3.585) 3.936 14.080 ( -0.352 -2.394 -1.802) 3.017 14.203 ( 0.536 -10.099 1.105) 10.173 14.772 ( 10.209 -3.246 6.612) 12.589 15.235 ( 1.933 -4.869 0.028) 5.239 15.407 ( -6.491 -3.533 1.158) 7.480 15.672 ( -4.796 8.183 -8.691) 12.865 16.034 ( -6.104 4.333 -5.460) 9.265 16.475 ( -0.938 10.781 -0.703) 10.844 16.691 ( 5.491 -4.140 3.593) 7.759 17.063 ( 0.694 -0.832 6.166) 6.260 17.491 ( -1.695 0.213 -4.530) 4.841 17.545 ( -4.085 2.488 -7.466) 8.867 17.985 ( -0.353 0.575 -1.249) 1.419 18.542 ( -2.695 -6.759 -3.137) 7.924 18.613 ( 5.583 -1.544 7.642) 9.589 18.708 ( -0.218 0.100 2.847) 2.857 18.825 ( 11.022 3.940 4.825) 12.660 19.101 ( 3.163 -2.788 2.653) 4.981 19.285 ( -2.524 3.572 -2.134) 4.867 19.411 ( 3.193 0.161 10.166) 10.657 19.956 ( 1.465 0.883 -3.718) 4.093 20.169 ( -2.552 -0.882 0.747) 2.801 21.602 ( -0.472 -0.616 0.034) 0.776 21.616 ( 0.616 0.966 0.221) 1.167 21.752 ( 1.988 -1.145 0.802) 2.431 21.893 ( -3.058 -0.986 -2.201) 3.894 27.790 ( -1.292 -1.439 0.056) 1.935 27.843 ( 1.611 0.928 -0.790) 2.020 27.849 ( -0.856 -0.175 0.176) 0.891 27.923 ( -0.028 0.911 0.458) 1.020 35.724 ( -1.796 -3.550 1.503) 4.253 35.893 ( -1.947 0.561 -0.193) 2.035 36.543 ( 5.588 8.475 -0.277) 10.155 37.570 ( -2.444 -1.063 -9.037) 9.421 38.939 ( 0.946 1.193 -1.367) 2.046 39.098 ( 0.921 -1.510 -1.869) 2.573 40.010 ( -0.707 0.838 9.445) 9.508 40.493 ( -4.035 3.018 6.101) 7.913 ======================= Grid point 4 (5/150) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 0.000 -0.000 0.000) 0.000 1.030 ( 0.000 -0.000 0.000) 0.000 1.280 ( 0.000 -0.000 0.000) 0.000 1.468 ( 0.000 -0.000 0.000) 0.000 1.541 ( 0.000 -0.000 0.000) 0.000 1.670 ( 0.000 -0.000 0.000) 0.000 2.238 ( 0.000 -0.000 0.000) 0.000 2.657 ( -0.000 -0.000 -0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 -0.000 0.000) 0.000 3.892 ( 0.000 -0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 -0.000 -0.000) 0.000 4.783 ( -0.000 0.000 -0.000) 0.000 4.790 ( 0.000 -0.000 0.000) 0.000 5.497 ( 0.000 -0.000 -0.000) 0.000 5.499 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 -0.000 0.000) 0.000 5.906 ( -0.000 0.000 -0.000) 0.000 5.976 ( 0.000 -0.000 0.000) 0.000 6.578 ( 0.000 -0.000 -0.000) 0.000 6.625 ( -0.000 0.000 0.000) 0.000 6.936 ( 0.000 -0.000 0.000) 0.000 7.459 ( -0.000 -0.000 0.000) 0.000 7.473 ( 0.000 0.000 -0.000) 0.000 7.626 ( 0.000 -0.000 0.000) 0.000 7.823 ( 0.000 -0.000 0.000) 0.000 8.296 ( 0.000 -0.000 0.000) 0.000 8.360 ( 0.000 -0.000 0.000) 0.000 8.395 ( -0.000 0.000 -0.000) 0.000 9.212 ( 0.000 -0.000 -0.000) 0.000 9.309 ( 0.000 -0.000 0.000) 0.000 10.265 ( 0.000 -0.000 0.000) 0.000 10.381 ( 0.000 -0.000 -0.000) 0.000 10.543 ( 0.000 -0.000 0.000) 0.000 11.017 ( 0.000 -0.000 0.000) 0.000 11.222 ( 0.000 -0.000 0.000) 0.000 11.407 ( 0.000 -0.000 0.000) 0.000 12.170 ( 0.000 -0.000 0.000) 0.000 12.224 ( 0.000 -0.000 0.000) 0.000 12.541 ( 0.000 -0.000 -0.000) 0.000 12.573 ( -0.000 -0.000 0.000) 0.000 12.760 ( -0.000 -0.000 -0.000) 0.000 12.770 ( 0.000 0.000 0.000) 0.000 13.444 ( 0.000 -0.000 -0.000) 0.000 13.712 ( 0.000 -0.000 0.000) 0.000 14.075 ( 0.000 -0.000 0.000) 0.000 14.293 ( 0.000 -0.000 0.000) 0.000 14.923 ( 0.000 -0.000 0.000) 0.000 15.298 ( 0.000 -0.000 0.000) 0.000 15.339 ( 0.000 -0.000 0.000) 0.000 15.553 ( 0.000 -0.000 0.000) 0.000 15.951 ( 0.000 -0.000 0.000) 0.000 16.384 ( 0.000 -0.000 0.000) 0.000 16.772 ( 0.000 -0.000 0.000) 0.000 17.184 ( 0.000 -0.000 0.000) 0.000 17.295 ( 0.000 -0.000 -0.000) 0.000 17.541 ( 0.000 -0.000 0.000) 0.000 17.974 ( 0.000 -0.000 0.000) 0.000 18.576 ( 0.000 0.000 0.000) 0.000 18.625 ( 0.000 -0.000 0.000) 0.000 18.824 ( -0.000 -0.000 0.000) 0.000 18.839 ( 0.000 0.000 -0.000) 0.000 19.184 ( -0.000 0.000 -0.000) 0.000 19.187 ( 0.000 -0.000 0.000) 0.000 19.497 ( 0.000 -0.000 0.000) 0.000 19.930 ( 0.000 -0.000 0.000) 0.000 20.165 ( 0.000 -0.000 0.000) 0.000 21.604 ( 0.000 0.000 0.000) 0.000 21.613 ( -0.000 -0.000 0.000) 0.000 21.780 ( 0.000 -0.000 0.000) 0.000 21.866 ( 0.000 -0.000 -0.000) 0.000 27.793 ( 0.000 -0.000 0.000) 0.000 27.843 ( -0.000 -0.000 0.000) 0.000 27.843 ( 0.000 0.000 -0.000) 0.000 27.919 ( 0.000 -0.000 0.000) 0.000 35.742 ( 0.000 -0.000 0.000) 0.000 35.886 ( 0.000 -0.000 0.000) 0.000 36.509 ( 0.000 -0.000 0.000) 0.000 37.517 ( 0.000 -0.000 0.000) 0.000 38.930 ( 0.000 -0.000 0.000) 0.000 39.105 ( 0.000 -0.000 0.000) 0.000 40.048 ( 0.000 -0.000 0.000) 0.000 40.479 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/150) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.219 0.000 6.860) 6.863 0.836 ( 19.677 0.000 12.949) 23.556 0.990 ( 2.836 0.000 8.230) 8.705 1.048 ( 12.960 0.000 7.154) 14.803 1.496 ( 0.826 0.000 0.680) 1.070 1.580 ( -0.079 -0.000 0.659) 0.663 2.193 ( 7.284 0.000 11.829) 13.892 2.429 ( 7.907 0.000 2.881) 8.415 2.867 ( -17.961 -0.000 -12.862) 22.092 2.931 ( -1.531 -0.000 1.461) 2.116 3.295 ( 61.098 0.000 78.385) 99.384 3.362 ( 8.705 0.000 0.260) 8.709 3.647 ( 3.413 0.000 2.625) 4.306 4.204 ( 7.185 0.000 9.682) 12.057 4.747 ( 1.787 0.000 -5.998) 6.258 5.121 ( 5.597 0.000 11.893) 13.144 5.262 ( 15.261 0.000 10.482) 18.514 5.571 ( 4.060 0.000 -3.975) 5.682 5.658 ( 0.340 0.000 -3.954) 3.968 6.053 ( 6.774 0.000 14.513) 16.016 6.329 ( 4.620 0.000 -3.492) 5.792 6.588 ( -3.474 -0.000 -15.411) 15.798 7.160 ( 0.048 0.000 2.033) 2.034 7.428 ( -13.230 -0.000 -2.531) 13.470 7.782 ( 1.309 0.000 -2.046) 2.429 8.092 ( -9.215 -0.000 -8.377) 12.453 8.145 ( -9.256 -0.000 -13.694) 16.528 8.726 ( -14.626 -0.000 -10.905) 18.244 8.782 ( -5.330 -0.000 -1.263) 5.477 9.105 ( -5.520 -0.000 -6.445) 8.486 9.179 ( -9.154 -0.000 -25.575) 27.164 9.690 ( -5.749 -0.000 -0.899) 5.818 10.325 ( -3.693 -0.000 2.550) 4.488 10.601 ( -7.749 -0.000 -7.324) 10.663 10.722 ( 5.193 0.000 0.254) 5.199 11.215 ( 3.407 0.000 -3.511) 4.892 11.395 ( -9.168 -0.000 -10.808) 14.173 11.631 ( -3.599 -0.000 -5.134) 6.270 12.176 ( 2.776 0.000 3.661) 4.594 12.243 ( -15.140 -0.000 16.951) 22.728 12.329 ( -2.429 -0.000 1.605) 2.912 12.456 ( 11.314 0.000 0.999) 11.358 12.731 ( -3.053 -0.000 -10.170) 10.618 12.904 ( 12.251 0.000 3.290) 12.685 13.494 ( -2.683 -0.000 -2.761) 3.850 13.590 ( 5.064 0.000 -3.260) 6.023 13.688 ( -2.716 -0.000 15.883) 16.113 14.094 ( -5.788 -0.000 0.752) 5.836 14.415 ( 21.438 0.000 -0.382) 21.441 14.744 ( 11.298 0.000 9.286) 14.625 15.633 ( -3.912 -0.000 -4.559) 6.007 15.730 ( -11.592 -0.000 -2.824) 11.931 16.402 ( 9.438 0.000 3.880) 10.205 16.641 ( -12.417 -0.000 -11.725) 17.078 16.935 ( 4.044 0.000 3.204) 5.160 17.140 ( -6.429 -0.000 -13.247) 14.725 17.309 ( 2.320 0.000 2.076) 3.113 17.518 ( -4.224 -0.000 5.059) 6.591 18.038 ( 0.694 0.000 -2.557) 2.650 18.378 ( -3.462 -0.000 6.882) 7.704 18.395 ( -4.518 -0.000 -11.753) 12.591 18.538 ( 13.518 0.000 -0.105) 13.518 18.937 ( 8.692 0.000 14.889) 17.240 19.171 ( 8.283 0.000 7.007) 10.849 19.218 ( 2.400 0.000 4.078) 4.732 19.554 ( -13.284 -0.000 -7.680) 15.344 19.966 ( 2.259 0.000 2.770) 3.574 20.246 ( -4.419 -0.000 6.335) 7.724 21.592 ( -0.503 -0.000 0.068) 0.507 21.659 ( 3.349 0.000 -3.248) 4.665 21.666 ( 1.347 0.000 1.313) 1.881 21.813 ( -0.431 -0.000 -0.074) 0.438 27.762 ( -1.259 -0.000 -0.373) 1.313 27.827 ( -0.106 -0.000 0.370) 0.385 27.868 ( 0.764 0.000 0.038) 0.765 27.970 ( -1.006 -0.000 0.421) 1.091 35.588 ( -1.346 -0.000 3.117) 3.396 36.002 ( -8.729 -0.000 -2.571) 9.100 37.140 ( 14.406 0.000 -24.018) 28.007 37.196 ( 5.687 0.000 -0.649) 5.724 38.954 ( 1.387 0.000 -6.161) 6.315 39.062 ( -0.753 -0.000 -6.676) 6.718 40.039 ( -1.292 -0.000 8.505) 8.603 40.773 ( -31.961 -0.000 36.697) 48.663 ======================= Grid point 11 (7/150) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -3.312 -0.957 -2.322) 4.157 1.015 ( 5.613 3.024 4.830) 7.999 1.175 ( 6.797 -3.017 10.843) 13.148 1.325 ( 4.960 -10.525 4.522) 12.483 1.477 ( 2.944 5.095 2.027) 6.224 1.590 ( 0.818 0.858 1.555) 1.955 2.373 ( -5.713 -2.794 6.236) 8.907 2.528 ( -8.938 -4.360 -6.864) 12.083 2.619 ( 2.124 -2.703 1.055) 3.596 3.031 ( 17.608 3.320 6.725) 19.138 3.493 ( 12.713 -2.530 8.804) 15.669 3.779 ( 2.961 -6.480 5.448) 8.969 4.353 ( 7.701 -0.063 6.717) 10.219 4.625 ( 16.626 3.793 18.945) 25.490 4.850 ( 35.185 -14.833 42.144) 56.869 5.295 ( 4.233 0.283 10.328) 11.166 5.511 ( 11.314 -1.440 2.380) 11.651 5.570 ( 0.298 -1.969 -5.519) 5.868 5.639 ( 6.624 1.405 5.746) 8.881 6.160 ( -1.005 13.001 -7.667) 15.127 6.326 ( 7.980 0.467 8.364) 11.569 6.543 ( 4.399 -11.378 -4.332) 12.945 7.085 ( -5.232 11.959 -5.975) 14.356 7.246 ( -11.066 -1.574 3.083) 11.595 7.713 ( -10.030 -2.689 -8.826) 13.628 7.917 ( -2.232 1.660 -12.654) 12.956 7.953 ( -9.392 -3.015 -4.702) 10.928 8.304 ( -23.052 2.394 -17.485) 29.032 8.615 ( -17.486 -0.017 -11.207) 20.770 8.831 ( -4.260 5.905 -16.867) 18.371 9.112 ( 4.059 -1.296 1.257) 4.443 9.574 ( -6.348 3.199 -4.720) 8.533 10.311 ( -2.712 1.272 3.125) 4.329 10.452 ( -7.241 -1.450 -7.593) 10.592 10.729 ( 2.784 3.788 -3.983) 6.162 11.179 ( -8.627 1.321 -10.873) 13.942 11.233 ( 5.219 0.660 -1.606) 5.500 11.519 ( -3.922 5.560 0.559) 6.828 12.136 ( -2.155 1.779 3.438) 4.431 12.262 ( -8.291 -1.871 3.737) 9.285 12.400 ( 1.356 -3.509 4.811) 6.107 12.529 ( 4.634 0.580 -3.115) 5.614 12.617 ( 0.858 -2.166 -11.604) 11.835 13.036 ( 12.126 6.784 5.180) 14.829 13.421 ( -0.434 2.612 -0.672) 2.732 13.711 ( 5.814 -3.401 3.620) 7.647 13.849 ( 0.515 -7.152 11.016) 13.144 14.083 ( -2.029 -1.495 1.243) 2.810 14.689 ( 15.924 -2.409 10.342) 19.140 15.009 ( 4.297 -8.597 7.828) 12.396 15.449 ( -6.449 6.242 -2.362) 9.280 15.667 ( -8.394 -7.220 -5.742) 12.473 16.293 ( -9.608 13.982 -9.298) 19.346 16.569 ( 7.298 -3.309 2.882) 8.515 16.861 ( 1.642 8.599 -5.172) 10.168 17.104 ( -0.454 -6.693 -5.914) 8.943 17.245 ( -4.665 3.787 5.798) 8.349 17.601 ( -1.785 -5.377 -5.110) 7.629 17.986 ( -1.250 0.020 -6.816) 6.930 18.283 ( -3.161 -6.956 -7.310) 10.575 18.417 ( -4.345 -6.002 4.290) 8.562 18.720 ( 12.378 0.570 4.707) 13.255 19.088 ( 1.250 1.272 4.367) 4.717 19.183 ( 6.885 11.481 3.673) 13.882 19.339 ( -5.815 0.891 -5.640) 8.149 19.405 ( 5.273 -2.482 11.425) 12.826 20.014 ( 3.374 1.788 2.076) 4.346 20.210 ( -3.820 4.115 3.799) 6.779 21.589 ( -0.583 -0.265 0.097) 0.648 21.651 ( 1.175 1.474 -0.251) 1.902 21.712 ( 1.789 -1.638 1.065) 2.650 21.830 ( -1.087 -2.860 -1.076) 3.243 27.750 ( -1.252 -0.971 -0.504) 1.663 27.832 ( -0.393 -0.384 0.317) 0.634 27.875 ( 1.022 0.649 0.295) 1.246 27.954 ( -0.943 0.959 0.127) 1.351 35.626 ( -1.672 -2.441 4.490) 5.378 35.879 ( -8.818 -1.025 -2.907) 9.342 36.887 ( 7.803 15.975 -8.629) 19.762 37.383 ( 1.501 -12.880 -9.484) 16.065 38.919 ( 1.308 -2.869 -7.909) 8.514 38.991 ( -1.166 -1.747 -7.265) 7.563 40.106 ( -0.705 2.489 11.418) 11.708 40.715 ( -16.157 9.980 22.413) 29.377 ======================= Grid point 12 (8/150) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -3.513 -1.287 -4.067) 5.526 1.073 ( 4.300 2.901 4.182) 6.663 1.290 ( -3.225 -0.577 5.925) 6.771 1.451 ( 4.254 -1.377 -1.543) 4.730 1.549 ( 2.140 -4.983 4.178) 6.846 1.597 ( 1.364 2.739 1.679) 3.490 2.227 ( -10.882 -1.259 -8.808) 14.056 2.490 ( -7.270 -5.647 3.341) 9.793 2.786 ( 11.954 1.984 5.981) 13.513 3.204 ( 9.992 1.879 2.060) 10.374 3.859 ( 5.142 -4.417 10.195) 12.243 3.974 ( 14.533 -9.084 8.008) 18.917 4.497 ( 7.840 -1.017 9.075) 12.036 4.653 ( -0.430 1.165 3.093) 3.333 5.187 ( -5.350 14.400 -12.671) 19.914 5.351 ( -9.536 -8.053 -9.281) 15.554 5.518 ( -0.642 -0.162 -2.290) 2.384 5.811 ( 6.188 0.972 4.048) 7.458 5.932 ( 10.017 6.160 10.508) 15.770 6.093 ( 7.248 4.678 4.356) 9.664 6.444 ( 26.286 -1.579 26.271) 37.197 6.791 ( 7.227 -0.201 1.421) 7.369 6.896 ( -2.343 2.578 8.815) 9.479 7.202 ( -3.993 -9.861 -1.612) 10.760 7.521 ( -12.255 -2.507 -10.038) 16.038 7.690 ( -9.422 5.093 -16.883) 19.993 7.861 ( -5.823 1.132 -0.482) 5.952 8.042 ( -9.374 -14.454 -6.909) 18.561 8.360 ( -8.045 -0.105 -4.321) 9.132 8.566 ( -6.152 8.706 -9.459) 14.252 9.197 ( 6.433 -0.381 0.264) 6.450 9.404 ( -4.761 4.704 -4.998) 8.353 10.271 ( -2.830 0.616 -3.980) 4.922 10.369 ( -4.315 -1.171 1.966) 4.884 10.619 ( 1.018 4.977 -7.511) 9.068 10.989 ( -6.970 -1.219 -9.321) 11.702 11.276 ( 5.346 2.090 1.961) 6.065 11.443 ( -2.400 2.865 2.713) 4.619 12.139 ( -3.223 -2.455 -0.263) 4.060 12.236 ( -3.604 0.116 2.831) 4.584 12.463 ( -5.944 -4.185 -0.871) 7.322 12.527 ( 4.009 -2.020 -2.095) 4.954 12.599 ( 5.702 -2.593 -8.368) 10.452 13.083 ( 9.100 12.167 7.201) 16.813 13.409 ( 1.270 -0.283 -0.149) 1.310 13.802 ( 2.384 4.046 6.629) 8.124 14.058 ( 3.071 -4.603 2.485) 6.066 14.140 ( 2.254 -6.508 5.920) 9.082 14.928 ( 5.034 1.744 7.650) 9.322 15.197 ( 3.728 -5.432 7.844) 10.244 15.354 ( -2.630 -0.216 0.360) 2.664 15.602 ( -5.635 -2.236 -5.335) 8.076 15.951 ( -7.341 8.928 -5.804) 12.933 16.624 ( 6.363 6.523 -7.241) 11.639 16.793 ( 4.001 2.750 3.160) 5.793 17.106 ( -1.181 -0.296 4.762) 4.915 17.289 ( -6.655 -12.075 -0.636) 13.802 17.445 ( -4.812 5.710 -12.791) 14.811 17.942 ( -1.004 -2.946 -3.998) 5.067 18.296 ( -4.584 -9.872 -7.308) 13.110 18.557 ( -0.419 -11.734 1.746) 11.871 18.821 ( 4.001 4.858 4.893) 7.971 19.043 ( -2.893 4.338 -9.491) 10.829 19.119 ( 1.657 -1.518 1.404) 2.650 19.300 ( 4.883 7.606 3.932) 9.856 19.574 ( 1.200 1.892 11.182) 11.405 20.005 ( 3.096 5.806 -0.300) 6.587 20.180 ( -0.704 1.328 3.682) 3.977 21.589 ( -0.523 -0.486 0.046) 0.715 21.641 ( 0.559 1.394 0.277) 1.527 21.760 ( 0.462 -1.416 1.143) 1.877 21.841 ( 0.111 -1.655 -0.663) 1.786 27.752 ( -1.031 -1.821 -0.472) 2.145 27.834 ( -0.678 -0.396 0.345) 0.858 27.878 ( 1.255 1.326 0.412) 1.872 27.933 ( -0.642 0.771 -0.172) 1.018 35.687 ( -2.118 -2.802 3.782) 5.161 35.811 ( -5.883 -4.471 -1.077) 7.468 36.687 ( 2.803 11.345 -7.698) 13.994 37.432 ( -0.143 -6.497 -5.310) 8.392 38.906 ( 0.402 -2.528 -4.637) 5.296 38.946 ( -1.491 -6.866 -10.341) 12.502 40.169 ( 0.458 4.772 10.670) 11.698 40.626 ( -7.523 10.104 13.221) 18.262 ======================= Grid point 13 (9/150) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -4.790 -2.008 -5.818) 7.799 1.110 ( 3.382 3.339 3.425) 5.858 1.306 ( -1.763 0.762 4.407) 4.807 1.484 ( 2.539 -1.528 -2.436) 3.836 1.562 ( -0.476 5.120 0.883) 5.217 1.659 ( 1.451 -3.459 2.032) 4.266 2.111 ( -5.156 -6.796 -7.040) 11.061 2.544 ( -1.727 -2.447 5.663) 6.406 2.912 ( 11.545 5.861 4.621) 13.747 3.216 ( -1.101 4.171 -1.731) 4.648 3.921 ( -0.541 0.338 3.632) 3.688 4.136 ( -7.012 7.492 -11.512) 15.422 4.535 ( -3.211 7.072 -0.574) 7.788 4.746 ( -5.979 6.057 -9.319) 12.621 4.884 ( 11.503 -4.518 8.753) 15.144 5.242 ( -9.398 -6.322 -12.137) 16.602 5.538 ( 1.127 -0.566 6.189) 6.316 5.648 ( -7.850 2.829 -10.580) 13.474 5.885 ( -0.548 7.868 2.650) 8.320 6.259 ( 11.683 2.512 10.210) 15.717 6.510 ( -6.803 11.179 -18.719) 22.840 6.688 ( -12.269 14.612 4.606) 19.628 6.935 ( 3.481 1.731 -4.372) 5.851 7.290 ( -13.718 -5.957 -3.142) 15.283 7.520 ( 12.457 -12.771 -2.467) 18.010 7.824 ( 3.451 -0.451 1.768) 3.904 7.875 ( 19.151 -6.206 23.113) 30.651 8.155 ( -9.049 -12.936 0.709) 15.803 8.339 ( -0.465 -0.042 2.039) 2.091 8.389 ( 3.720 -4.792 7.501) 9.647 9.248 ( 5.851 -1.632 -4.733) 7.700 9.300 ( -0.491 1.292 -0.765) 1.580 10.208 ( -1.903 -2.211 -3.656) 4.677 10.408 ( 0.083 -1.160 6.250) 6.358 10.545 ( 3.065 -0.542 -3.994) 5.063 10.882 ( -4.188 -3.624 -7.632) 9.430 11.325 ( 3.306 2.772 4.730) 6.402 11.441 ( 1.887 1.501 3.267) 4.061 12.101 ( -6.332 -1.956 -2.639) 7.133 12.244 ( 0.311 0.100 2.217) 2.241 12.425 ( -5.838 -5.098 -4.557) 8.991 12.578 ( 1.031 1.497 0.286) 1.840 12.611 ( 2.924 -4.382 -7.095) 8.837 13.077 ( 8.036 13.060 8.741) 17.651 13.433 ( 1.487 -0.367 0.125) 1.537 13.803 ( 2.048 5.777 3.205) 6.916 14.115 ( 2.839 0.653 2.455) 3.810 14.322 ( 3.074 -3.219 4.441) 6.288 14.862 ( -9.457 3.413 -4.090) 10.854 15.325 ( -3.028 2.262 1.109) 3.939 15.450 ( 13.440 -2.508 12.259) 18.364 15.504 ( -6.791 -0.255 -3.597) 7.689 15.865 ( -0.093 -4.640 1.061) 4.760 16.518 ( 10.019 9.051 -6.816) 15.125 16.797 ( -2.341 3.546 1.703) 4.578 17.136 ( -4.673 2.258 -6.545) 8.353 17.284 ( -3.161 -7.467 4.967) 9.509 17.387 ( -1.605 -10.745 -1.670) 10.992 17.941 ( -1.002 -3.301 -2.865) 4.485 18.291 ( -6.909 -10.540 -9.172) 15.587 18.653 ( -0.873 -3.210 -2.715) 4.294 18.833 ( -2.331 4.617 0.375) 5.185 18.864 ( -1.371 -2.726 -8.393) 8.930 19.163 ( -1.283 0.792 0.587) 1.618 19.288 ( 5.015 6.818 4.495) 9.583 19.543 ( -3.040 9.509 0.296) 9.987 19.982 ( 1.935 3.056 3.276) 4.880 20.210 ( 2.555 1.802 3.446) 4.653 21.591 ( -0.457 -0.621 -0.095) 0.777 21.631 ( 0.350 1.273 0.266) 1.347 21.766 ( -1.767 -0.119 -0.046) 1.771 21.881 ( 2.759 -1.500 1.243) 3.378 27.766 ( -0.695 -2.292 -0.327) 2.418 27.836 ( -0.476 -0.312 0.532) 0.780 27.875 ( 1.128 1.732 0.421) 2.109 27.918 ( -0.308 0.331 -0.402) 0.605 35.723 ( -1.156 -3.539 0.120) 3.725 35.839 ( -3.143 -3.808 2.909) 5.731 36.505 ( -1.194 5.702 -7.551) 9.537 37.492 ( 0.823 -6.040 1.509) 6.280 38.881 ( -2.412 -3.158 -5.591) 6.860 38.951 ( -0.752 -9.052 -8.711) 12.585 40.177 ( 1.379 9.243 6.846) 11.584 40.553 ( -2.191 7.203 6.481) 9.934 ======================= Grid point 14 (10/150) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -5.925 -3.106 -7.236) 9.855 1.124 ( 2.953 4.111 2.518) 5.654 1.305 ( -0.169 2.489 1.256) 2.793 1.446 ( -1.980 11.239 -0.526) 11.424 1.521 ( 1.066 -3.529 -1.504) 3.982 1.705 ( 1.450 1.875 1.506) 2.809 2.167 ( 0.320 -13.896 -4.656) 14.659 2.601 ( 1.491 2.285 5.017) 5.711 2.882 ( -3.487 11.349 -7.366) 13.972 3.128 ( 3.177 5.503 3.489) 7.250 3.543 ( -21.373 18.335 -21.207) 35.252 3.968 ( 1.864 0.276 2.118) 2.835 4.383 ( -3.584 4.959 -5.034) 7.923 4.498 ( -7.124 11.676 -9.395) 16.594 4.908 ( -13.315 11.753 -20.657) 27.242 4.976 ( -6.368 1.036 -5.981) 8.798 5.500 ( -5.167 2.174 -7.048) 9.006 5.737 ( 0.322 2.372 13.185) 13.401 5.816 ( -3.583 0.564 3.077) 4.756 5.974 ( -3.979 16.841 2.772) 17.526 6.440 ( 11.325 4.477 -0.044) 12.178 6.639 ( -2.476 -8.715 5.739) 10.725 6.847 ( -0.114 7.251 -1.299) 7.367 7.231 ( -3.752 -6.295 -6.246) 9.629 7.762 ( 4.105 -12.751 -4.588) 14.160 7.838 ( 5.062 -4.037 -2.966) 7.122 8.093 ( 0.652 5.573 2.558) 6.167 8.243 ( 1.271 -11.491 5.697) 12.889 8.507 ( -0.963 -13.265 6.882) 14.975 8.887 ( 17.431 -7.661 24.170) 30.769 9.286 ( 6.373 0.112 0.876) 6.434 9.390 ( 5.450 -8.903 2.329) 10.695 10.214 ( -0.593 -3.761 -1.354) 4.041 10.506 ( 1.212 -2.522 6.241) 6.839 10.625 ( 6.808 -4.682 0.721) 8.294 10.836 ( -3.004 -6.046 -7.049) 9.761 11.352 ( 0.604 3.240 4.282) 5.403 11.517 ( 7.568 1.336 6.217) 9.885 12.017 ( -6.800 -0.724 -3.065) 7.493 12.278 ( 2.395 -0.510 1.084) 2.678 12.389 ( -5.147 -5.837 -5.696) 9.644 12.492 ( -7.800 4.401 0.636) 8.979 12.618 ( 1.479 -1.900 -7.482) 7.860 13.102 ( 10.136 12.289 9.835) 18.721 13.449 ( 0.706 -0.118 1.060) 1.279 13.759 ( 1.400 5.770 -1.143) 6.047 14.142 ( -0.737 3.590 -0.541) 3.705 14.337 ( 3.038 5.926 1.928) 6.933 14.686 ( -5.406 2.486 -3.228) 6.770 15.212 ( -8.391 6.061 -2.276) 10.598 15.463 ( -2.568 -7.373 1.082) 7.882 15.774 ( 13.030 -5.125 12.827) 18.989 16.010 ( 3.457 -7.321 5.581) 9.834 16.498 ( 11.358 2.943 -5.808) 13.092 16.699 ( -4.966 6.060 1.573) 7.992 17.000 ( -2.014 0.704 -5.401) 5.807 17.391 ( -7.047 -10.540 -1.570) 12.776 17.569 ( 3.421 -9.017 7.327) 12.112 17.951 ( -1.741 -4.861 -3.192) 6.070 18.241 ( -8.707 -10.113 -11.439) 17.576 18.622 ( -2.236 -0.174 -3.028) 3.768 18.653 ( -3.606 5.723 -5.373) 8.639 18.899 ( 2.854 1.115 -0.955) 3.209 19.077 ( -6.725 2.551 -0.470) 7.208 19.246 ( 0.431 12.110 -6.056) 13.546 19.376 ( -2.093 3.068 0.552) 3.755 19.999 ( 0.024 2.247 3.622) 4.262 20.241 ( 3.365 2.939 2.530) 5.134 21.593 ( -0.434 -0.723 -0.210) 0.869 21.621 ( 0.292 1.073 0.133) 1.120 21.739 ( -1.678 0.833 -0.367) 1.909 21.952 ( 3.347 -1.337 2.381) 4.319 27.790 ( -0.239 -2.331 -0.199) 2.351 27.839 ( -0.084 0.879 0.916) 1.273 27.869 ( 0.753 0.796 0.358) 1.153 27.908 ( -0.202 0.031 -0.679) 0.709 35.772 ( 2.170 -2.113 0.100) 3.030 35.860 ( -2.715 -0.617 1.950) 3.400 36.378 ( -5.292 -2.224 -6.768) 8.875 37.659 ( 3.506 -7.751 9.780) 12.962 38.838 ( -4.435 -6.711 -9.136) 12.173 38.984 ( -0.855 -7.176 -4.920) 8.742 40.077 ( 1.527 13.703 0.694) 13.805 40.516 ( 1.282 4.116 1.581) 4.592 ======================= Grid point 15 (11/150) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -6.804 -3.813 -7.931) 11.124 1.109 ( 1.909 5.767 1.486) 6.253 1.178 ( -2.881 19.772 -3.304) 20.252 1.281 ( -1.157 3.167 0.329) 3.388 1.560 ( 0.747 -1.642 -0.129) 1.808 1.659 ( 1.369 9.963 1.406) 10.155 2.296 ( -17.734 12.547 -20.427) 29.819 2.361 ( -3.417 1.675 -8.383) 9.206 2.636 ( 5.829 2.059 4.005) 7.366 2.965 ( -11.429 4.271 -10.324) 15.983 3.243 ( 6.324 5.694 2.510) 8.872 3.892 ( -15.281 32.712 -0.402) 36.107 3.958 ( 6.216 12.668 -8.660) 16.556 4.222 ( -2.596 7.935 -5.921) 10.235 4.663 ( -3.190 -5.214 4.707) 7.714 4.855 ( -7.949 -6.203 -8.944) 13.478 5.223 ( -9.401 7.932 -7.361) 14.335 5.642 ( -6.966 15.746 8.087) 19.023 5.757 ( 4.531 10.906 -9.021) 14.861 5.991 ( -1.242 -9.381 4.740) 10.584 6.431 ( 3.551 9.846 1.299) 10.547 6.807 ( 3.158 3.838 6.597) 8.259 6.952 ( 2.819 -16.508 10.255) 19.637 7.194 ( -1.200 -6.480 -10.088) 12.050 7.955 ( 1.463 -12.255 0.913) 12.376 7.967 ( 4.777 -11.667 -4.197) 13.287 7.990 ( -1.991 6.075 1.118) 6.490 8.512 ( 4.696 -13.360 3.043) 14.485 8.714 ( 1.237 -5.772 6.548) 8.816 9.185 ( 3.824 -8.112 2.098) 9.211 9.459 ( 5.623 -3.119 10.186) 12.046 9.621 ( 7.801 -5.932 4.921) 10.966 10.257 ( -0.168 -4.617 -0.731) 4.678 10.597 ( 0.411 -1.759 3.566) 3.997 10.749 ( 3.872 -0.781 0.146) 3.953 10.868 ( -1.597 -13.011 -4.523) 13.867 11.338 ( 0.102 4.491 2.825) 5.306 11.672 ( 8.911 0.267 7.115) 11.406 11.932 ( -4.478 0.283 -1.464) 4.720 12.309 ( -5.700 1.112 -5.275) 7.845 12.324 ( 0.912 0.394 2.053) 2.281 12.395 ( -5.220 -2.666 -0.556) 5.888 12.549 ( -1.962 -1.879 -8.654) 9.070 13.124 ( 7.943 13.031 7.031) 16.803 13.498 ( 2.831 -1.193 3.689) 4.801 13.659 ( -0.370 6.008 -3.717) 7.074 13.941 ( -8.195 7.916 -5.831) 12.799 14.330 ( 0.936 9.585 2.189) 9.876 14.632 ( 8.884 8.076 1.761) 12.135 15.037 ( -12.310 -6.163 -2.797) 14.047 15.668 ( 5.778 -12.345 9.359) 16.534 16.066 ( 12.671 0.503 10.836) 16.680 16.201 ( -1.944 -9.581 4.396) 10.719 16.519 ( 4.968 -0.065 -2.805) 5.706 16.635 ( 1.016 1.858 2.826) 3.531 16.968 ( 1.597 -2.552 -4.844) 5.703 17.405 ( -5.873 -6.793 -3.257) 9.552 17.742 ( 0.616 -4.614 2.974) 5.523 17.940 ( -8.290 -8.080 -9.691) 15.097 18.177 ( -4.481 -5.719 -5.727) 9.251 18.509 ( -0.218 5.583 -1.114) 5.697 18.610 ( -1.352 -2.766 -1.101) 3.270 18.813 ( -0.473 14.667 3.185) 15.016 18.908 ( -2.464 17.281 -6.851) 18.752 19.061 ( -3.487 -6.727 -5.743) 9.508 19.354 ( -2.625 -1.008 -1.455) 3.166 19.985 ( -0.627 2.805 1.263) 3.140 20.252 ( 2.386 3.278 1.637) 4.373 21.597 ( -0.331 -0.856 -0.185) 0.936 21.612 ( 0.202 0.807 0.042) 0.833 21.706 ( -0.990 1.298 -0.207) 1.646 22.031 ( 3.174 -1.303 2.921) 4.506 27.815 ( 1.090 -1.227 -0.748) 1.804 27.827 ( -1.097 1.216 1.522) 2.236 27.874 ( 0.599 1.131 0.539) 1.389 27.902 ( -0.325 -1.355 -1.015) 1.724 35.756 ( 1.300 7.958 1.038) 8.130 35.908 ( 0.069 -7.925 -0.283) 7.930 36.299 ( -8.169 -4.967 -5.561) 11.060 37.969 ( 6.992 -9.688 19.389) 22.775 38.775 ( -6.693 -9.589 -14.698) 18.782 39.028 ( -0.433 -5.527 -1.601) 5.771 39.864 ( 0.683 16.938 -5.536) 17.833 40.490 ( 2.453 2.938 -2.079) 4.356 ======================= Grid point 16 (12/150) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -0.000 0.619 -0.000) 0.619 0.795 ( -0.000 27.926 -0.000) 27.926 1.065 ( -0.000 5.368 -0.000) 5.368 1.183 ( -0.000 19.411 -0.000) 19.411 1.467 ( -0.000 37.766 -0.000) 37.766 1.522 ( -0.000 9.730 -0.000) 9.730 1.583 ( -0.000 1.327 -0.000) 1.327 2.384 ( -0.000 1.298 -0.000) 1.298 2.740 ( -0.000 11.251 -0.000) 11.251 2.828 ( 0.000 -15.701 0.000) 15.701 3.212 ( -0.000 5.094 -0.000) 5.094 3.450 ( -0.000 18.406 -0.000) 18.406 3.829 ( -0.000 10.639 -0.000) 10.639 4.062 ( -0.000 7.367 -0.000) 7.367 4.739 ( 0.000 -2.107 0.000) 2.107 4.912 ( 0.000 -11.389 0.000) 11.389 5.034 ( -0.000 6.816 -0.000) 6.816 5.425 ( -0.000 8.096 -0.000) 8.096 5.632 ( -0.000 5.395 -0.000) 5.395 6.129 ( 0.000 -6.520 0.000) 6.520 6.293 ( -0.000 12.779 -0.000) 12.779 6.804 ( -0.000 4.201 -0.000) 4.201 7.116 ( 0.000 -2.657 0.000) 2.657 7.345 ( 0.000 -17.409 0.000) 17.409 7.860 ( -0.000 8.445 -0.000) 8.445 8.153 ( 0.000 -14.000 0.000) 14.000 8.157 ( 0.000 -11.093 0.000) 11.093 8.710 ( 0.000 -9.903 0.000) 9.903 8.780 ( 0.000 -0.088 0.000) 0.088 9.345 ( 0.000 -8.399 0.000) 8.399 9.581 ( 0.000 -1.584 0.000) 1.584 9.741 ( 0.000 -2.764 0.000) 2.764 10.312 ( 0.000 -3.907 0.000) 3.907 10.621 ( -0.000 0.068 -0.000) 0.068 10.770 ( 0.000 -0.572 0.000) 0.572 10.995 ( 0.000 -11.567 0.000) 11.567 11.294 ( -0.000 4.175 -0.000) 4.175 11.768 ( -0.000 0.012 -0.000) 0.012 11.900 ( -0.000 0.570 -0.000) 0.570 12.213 ( -0.000 4.227 -0.000) 4.227 12.297 ( -0.000 1.251 -0.000) 1.251 12.417 ( 0.000 -3.000 0.000) 3.000 12.544 ( 0.000 -7.344 0.000) 7.344 13.042 ( -0.000 10.877 -0.000) 10.877 13.534 ( -0.000 6.283 -0.000) 6.283 13.591 ( 0.000 -2.444 0.000) 2.444 13.762 ( -0.000 6.268 -0.000) 6.268 14.163 ( -0.000 11.856 -0.000) 11.856 14.552 ( -0.000 13.091 -0.000) 13.091 15.159 ( 0.000 -18.356 0.000) 18.356 15.979 ( 0.000 -10.388 0.000) 10.388 16.219 ( -0.000 1.103 -0.000) 1.103 16.254 ( 0.000 -1.126 0.000) 1.126 16.638 ( 0.000 -11.144 0.000) 11.144 16.685 ( 0.000 -6.854 0.000) 6.854 16.958 ( 0.000 -0.910 0.000) 0.910 17.430 ( 0.000 -5.904 0.000) 5.904 17.787 ( 0.000 -2.365 0.000) 2.365 17.808 ( -0.000 4.329 -0.000) 4.329 18.180 ( 0.000 -1.383 0.000) 1.383 18.480 ( -0.000 1.877 -0.000) 1.877 18.535 ( -0.000 18.449 -0.000) 18.449 18.651 ( 0.000 -0.725 0.000) 0.725 18.668 ( -0.000 10.874 -0.000) 10.874 19.104 ( 0.000 -5.671 0.000) 5.671 19.332 ( 0.000 -1.335 0.000) 1.335 19.947 ( -0.000 2.679 -0.000) 2.679 20.234 ( -0.000 2.745 -0.000) 2.745 21.605 ( -0.000 0.542 -0.000) 0.542 21.607 ( 0.000 -1.065 0.000) 1.065 21.681 ( -0.000 1.488 -0.000) 1.488 22.096 ( 0.000 -1.892 0.000) 1.892 27.806 ( -0.000 1.535 -0.000) 1.535 27.840 ( 0.000 -1.487 0.000) 1.487 27.856 ( -0.000 1.924 -0.000) 1.924 27.918 ( 0.000 -1.690 0.000) 1.690 35.665 ( -0.000 6.730 -0.000) 6.730 36.016 ( 0.000 -7.397 0.000) 7.397 36.239 ( 0.000 -0.662 0.000) 0.662 38.429 ( 0.000 -20.809 0.000) 20.809 38.648 ( 0.000 -2.835 0.000) 2.835 39.085 ( 0.000 -4.227 0.000) 4.227 39.556 ( -0.000 21.774 -0.000) 21.774 40.450 ( -0.000 2.601 -0.000) 2.601 ======================= Grid point 19 (13/150) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -3.434 -0.000 -3.867) 5.172 1.131 ( 3.777 0.000 3.699) 5.287 1.269 ( -2.602 -0.000 5.853) 6.406 1.348 ( 3.396 0.000 3.613) 4.959 1.560 ( 3.681 0.000 1.349) 3.920 1.638 ( 2.611 0.000 2.811) 3.837 2.197 ( -14.742 -0.000 -12.336) 19.223 2.400 ( -3.116 -0.000 8.745) 9.284 2.798 ( 14.201 0.000 7.674) 16.142 3.256 ( 11.698 0.000 -0.434) 11.706 3.741 ( 17.579 0.000 14.149) 22.566 3.873 ( 6.173 0.000 11.427) 12.988 4.472 ( 6.610 0.000 4.527) 8.011 4.706 ( -2.498 -0.000 3.290) 4.131 5.201 ( -8.973 -0.000 -9.183) 12.839 5.385 ( 3.340 0.000 -2.488) 4.165 5.514 ( -0.182 -0.000 -3.899) 3.903 5.803 ( 12.553 0.000 8.301) 15.049 6.087 ( 36.019 0.000 44.392) 57.167 6.299 ( -1.278 -0.000 -5.753) 5.893 6.380 ( 15.593 0.000 -1.394) 15.655 6.573 ( 9.539 0.000 17.355) 19.803 7.020 ( -16.346 -0.000 4.591) 16.978 7.156 ( -1.260 -0.000 -8.709) 8.799 7.481 ( -11.206 -0.000 -8.903) 14.312 7.741 ( -9.920 -0.000 -5.128) 11.167 7.759 ( -4.679 -0.000 -16.940) 17.574 7.884 ( -19.206 -0.000 -12.892) 23.131 8.357 ( -12.006 -0.000 -6.271) 13.545 8.708 ( -4.171 -0.000 -9.633) 10.498 9.192 ( 6.557 0.000 1.091) 6.647 9.475 ( -5.208 -0.000 -6.440) 8.282 10.290 ( -5.256 -0.000 -8.676) 10.144 10.340 ( -1.484 -0.000 5.101) 5.313 10.709 ( -0.728 -0.000 -9.980) 10.007 10.972 ( -8.634 -0.000 -9.878) 13.119 11.296 ( 6.502 0.000 0.166) 6.505 11.509 ( -6.175 -0.000 2.086) 6.518 12.078 ( -5.445 -0.000 -2.588) 6.029 12.221 ( -5.769 -0.000 6.190) 8.462 12.433 ( -3.845 -0.000 -8.789) 9.593 12.479 ( 5.864 0.000 5.061) 7.746 12.578 ( 6.389 0.000 -9.696) 11.612 13.285 ( 13.766 0.000 6.008) 15.020 13.449 ( -1.399 -0.000 2.228) 2.631 13.786 ( 11.755 0.000 1.453) 11.845 13.933 ( -2.867 -0.000 13.575) 13.874 14.103 ( 1.328 0.000 4.108) 4.317 14.992 ( 17.344 0.000 16.781) 24.133 15.080 ( -2.939 -0.000 7.147) 7.728 15.424 ( 0.931 0.000 -4.491) 4.586 15.446 ( -11.536 -0.000 -0.895) 11.571 16.256 ( -6.618 -0.000 -4.867) 8.215 16.573 ( 1.578 0.000 -16.892) 16.966 16.750 ( -2.908 -0.000 2.851) 4.072 17.062 ( 1.033 0.000 2.811) 2.995 17.382 ( 0.821 0.000 -2.289) 2.432 17.470 ( -1.985 -0.000 -4.229) 4.672 17.851 ( -2.621 -0.000 -12.107) 12.388 18.158 ( -2.228 -0.000 -2.451) 3.313 18.351 ( -3.299 -0.000 1.131) 3.488 18.889 ( 2.053 0.000 3.320) 3.904 19.084 ( -2.844 -0.000 -2.867) 4.039 19.099 ( -1.981 -0.000 -8.282) 8.516 19.464 ( 3.946 0.000 4.157) 5.732 19.548 ( 5.666 0.000 12.686) 13.894 20.108 ( 5.203 0.000 4.175) 6.671 20.225 ( -3.778 -0.000 2.301) 4.423 21.582 ( -0.526 -0.000 0.158) 0.549 21.669 ( 0.851 0.000 -0.409) 0.944 21.729 ( 0.203 0.000 2.441) 2.450 21.810 ( 1.350 0.000 -0.557) 1.461 27.725 ( -1.062 -0.000 -0.637) 1.239 27.828 ( -0.522 -0.000 0.242) 0.576 27.897 ( 1.155 0.000 0.899) 1.463 27.945 ( -1.377 -0.000 -0.372) 1.426 35.649 ( -1.361 -0.000 6.655) 6.792 35.731 ( -9.368 -0.000 -3.790) 10.105 36.929 ( 1.360 0.000 -14.473) 14.537 37.263 ( 2.718 0.000 -3.038) 4.076 38.811 ( 0.274 0.000 -10.199) 10.203 38.899 ( -1.434 -0.000 -6.548) 6.703 40.227 ( 0.395 0.000 11.326) 11.333 40.810 ( -13.342 -0.000 17.013) 21.620 ======================= Grid point 20 (14/150) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -3.847 -0.406 -5.110) 6.410 1.172 ( -1.129 0.677 2.513) 2.837 1.265 ( -5.024 -1.958 3.470) 6.412 1.423 ( 1.333 -2.791 0.429) 3.123 1.600 ( 3.067 0.697 1.573) 3.517 1.684 ( 3.234 2.635 2.681) 4.959 1.991 ( -7.655 -2.348 -7.998) 11.317 2.485 ( 1.136 -1.600 8.211) 8.442 3.010 ( 12.806 1.576 6.320) 14.368 3.295 ( 2.580 1.844 -2.862) 4.272 3.973 ( 3.227 2.914 5.262) 6.826 4.111 ( 8.713 -4.422 9.923) 13.926 4.603 ( 0.727 -5.031 2.978) 5.891 4.730 ( -0.640 5.444 -0.810) 5.541 4.880 ( -8.079 -4.748 -15.157) 17.820 5.336 ( -1.929 8.058 0.477) 8.299 5.518 ( 1.855 -0.634 4.753) 5.141 5.860 ( -0.555 11.448 -8.073) 14.019 6.176 ( 6.475 2.436 2.015) 7.206 6.255 ( 0.417 12.192 2.252) 12.406 6.685 ( 5.015 -9.443 -17.174) 20.230 6.890 ( 6.018 1.489 3.873) 7.310 6.960 ( -1.160 -4.902 3.963) 6.409 7.139 ( -11.574 -1.684 6.482) 13.372 7.267 ( -11.952 3.428 -3.689) 12.969 7.673 ( -2.977 -6.879 3.388) 8.226 7.747 ( 3.847 -5.917 -0.398) 7.069 7.824 ( 14.336 -6.850 18.458) 24.354 8.264 ( -0.537 -2.315 2.125) 3.188 8.531 ( -5.008 6.783 -7.749) 11.452 9.214 ( 0.722 -0.547 -6.535) 6.597 9.357 ( -2.137 1.722 -6.553) 7.104 10.167 ( -3.781 -0.746 -6.346) 7.424 10.391 ( 0.657 -0.292 5.659) 5.704 10.555 ( -1.635 0.499 -11.137) 11.268 10.843 ( -4.230 0.072 -4.133) 5.914 11.361 ( 2.969 0.141 1.940) 3.550 11.483 ( -0.723 1.309 4.782) 5.010 12.025 ( -4.527 -2.810 -2.340) 5.820 12.234 ( -2.707 -0.766 4.032) 4.916 12.326 ( -2.629 -1.880 -8.042) 8.668 12.543 ( 4.281 -0.883 -8.683) 9.721 12.602 ( 5.839 0.512 5.775) 8.229 13.402 ( 4.329 9.959 6.670) 12.744 13.455 ( 6.393 1.394 2.198) 6.903 13.928 ( 5.135 0.961 1.929) 5.569 14.052 ( 0.560 -5.694 7.534) 9.460 14.174 ( 2.693 -2.044 4.488) 5.619 14.955 ( -11.881 3.095 -4.482) 13.070 15.298 ( -5.610 -1.528 -0.417) 5.829 15.405 ( 13.338 -1.989 17.527) 22.115 15.512 ( 4.078 -0.748 4.799) 6.342 16.012 ( -2.780 14.919 -5.642) 16.190 16.507 ( -0.555 -14.177 -15.672) 21.140 16.818 ( -0.576 -0.261 6.317) 6.349 17.103 ( -2.492 -2.370 1.990) 3.974 17.251 ( -1.325 5.793 -3.347) 6.821 17.346 ( -3.521 5.083 -9.771) 11.563 17.803 ( -0.684 -5.801 -5.963) 8.347 18.131 ( -2.634 -2.107 -2.398) 4.139 18.406 ( 0.407 -10.294 -1.158) 10.367 18.774 ( -8.702 -1.476 -10.152) 13.453 18.971 ( -4.272 3.507 -5.358) 7.698 19.151 ( 1.646 -0.846 4.464) 4.832 19.486 ( 3.867 5.225 2.138) 6.843 19.693 ( 1.088 0.867 8.010) 8.130 20.144 ( 3.317 7.242 1.609) 8.127 20.240 ( 2.004 -0.245 5.167) 5.547 21.580 ( -0.383 -0.177 0.129) 0.441 21.666 ( 0.346 1.108 0.268) 1.192 21.750 ( -1.379 -0.763 1.537) 2.202 21.838 ( 2.802 -1.246 0.021) 3.067 27.717 ( -0.826 -1.105 -0.492) 1.465 27.825 ( -0.669 -0.323 0.144) 0.757 27.913 ( 0.983 0.972 0.727) 1.561 27.925 ( -0.810 0.072 -0.312) 0.871 35.621 ( -6.633 -2.776 -3.065) 7.817 35.732 ( -1.203 -2.872 7.761) 8.362 36.733 ( -0.894 8.277 -12.077) 14.668 37.297 ( -0.133 -6.989 -3.569) 7.848 38.736 ( -1.028 -4.237 -10.906) 11.745 38.836 ( -1.172 -1.414 -4.754) 5.096 40.330 ( 1.602 2.496 10.240) 10.661 40.786 ( -7.881 6.770 11.710) 15.655 ======================= Grid point 21 (15/150) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -4.608 -0.109 -6.032) 7.591 1.179 ( -2.669 -2.798 2.288) 4.493 1.303 ( -1.676 -3.445 3.407) 5.127 1.432 ( 0.648 0.321 -3.508) 3.582 1.655 ( 1.024 -1.234 3.388) 3.749 1.683 ( 3.435 4.838 0.554) 5.959 1.927 ( -2.861 -4.439 -3.771) 6.489 2.615 ( 4.891 -0.801 7.690) 9.149 3.121 ( 6.405 6.098 0.584) 8.863 3.232 ( -1.471 2.452 -1.206) 3.104 3.939 ( -9.048 4.543 0.765) 10.153 3.998 ( -11.677 7.661 -19.007) 23.586 4.534 ( -3.372 5.687 -5.217) 8.421 4.579 ( -3.233 -4.907 -5.927) 8.347 5.025 ( 2.003 3.980 3.871) 5.902 5.205 ( 2.747 7.161 3.655) 8.497 5.576 ( 2.888 9.734 -7.289) 12.498 5.713 ( 6.864 -1.221 19.281) 20.503 6.037 ( -1.311 12.740 -1.203) 12.864 6.368 ( -8.652 5.164 -8.522) 13.197 6.396 ( 7.277 -1.784 -10.911) 13.235 6.839 ( -9.098 15.290 0.931) 17.817 6.953 ( 4.619 -4.813 -3.655) 7.606 7.040 ( -11.237 -0.115 3.744) 11.845 7.356 ( 0.281 -16.482 0.667) 16.498 7.775 ( -6.280 -13.702 -1.671) 15.165 7.873 ( 5.140 -5.578 0.544) 7.604 8.115 ( 0.213 -3.541 0.409) 3.571 8.325 ( -1.732 2.208 -3.895) 4.800 8.706 ( 21.949 -3.969 29.949) 37.342 9.168 ( 2.593 -6.098 -6.228) 9.094 9.273 ( -1.933 -2.016 -4.040) 4.911 10.117 ( -2.604 -3.184 -3.133) 5.170 10.467 ( 2.135 -0.805 5.481) 5.937 10.526 ( 5.247 -2.064 -1.704) 5.890 10.774 ( -1.638 0.133 -3.257) 3.648 11.404 ( 0.225 0.148 4.701) 4.709 11.552 ( 5.970 1.120 5.664) 8.306 11.985 ( -5.044 -1.474 -1.647) 5.508 12.252 ( 0.180 -1.638 -1.427) 2.180 12.263 ( -3.598 -3.159 -4.538) 6.597 12.515 ( -0.293 -1.100 -5.864) 5.973 12.685 ( 5.312 4.540 4.318) 8.215 13.371 ( 3.093 6.637 5.552) 9.189 13.517 ( 6.896 6.054 3.982) 10.003 13.921 ( 0.961 5.789 1.789) 6.134 14.142 ( 1.029 -2.531 -0.484) 2.774 14.322 ( 1.484 -6.596 3.551) 7.637 14.728 ( -11.166 1.552 -7.840) 13.732 15.220 ( -9.837 -5.927 -3.342) 11.961 15.516 ( -0.872 11.793 2.764) 12.144 15.721 ( 9.665 2.744 14.007) 17.237 15.901 ( 9.004 -1.973 2.666) 9.596 16.551 ( 6.723 -5.863 -12.178) 15.096 16.823 ( -4.462 3.137 4.839) 7.292 17.020 ( -7.086 -1.070 -5.819) 9.232 17.179 ( -3.734 2.365 -1.148) 4.567 17.318 ( 2.621 -8.679 3.753) 9.813 17.798 ( -2.356 -4.728 -6.650) 8.492 18.106 ( -2.408 -2.120 -2.531) 4.086 18.548 ( 1.321 -8.069 -2.785) 8.638 18.630 ( -6.409 -7.450 -10.503) 14.383 18.816 ( -5.115 3.438 -5.458) 8.232 19.153 ( -5.849 0.439 0.715) 5.909 19.483 ( 5.307 7.066 3.525) 9.514 19.674 ( -1.147 9.971 2.336) 10.305 20.100 ( 3.090 6.111 1.861) 7.096 20.310 ( 2.812 1.954 4.840) 5.929 21.580 ( -0.297 -0.263 0.007) 0.397 21.655 ( 0.206 1.413 0.354) 1.471 21.748 ( -1.496 -0.059 0.384) 1.545 21.897 ( 2.673 -2.276 0.961) 3.640 27.726 ( -0.638 -2.005 -0.244) 2.118 27.828 ( -0.441 -0.821 0.214) 0.956 27.902 ( -0.240 0.432 -0.646) 0.814 27.925 ( 0.791 1.331 0.861) 1.771 35.600 ( -3.744 -6.796 -2.685) 8.211 35.846 ( -0.134 -2.394 9.257) 9.563 36.483 ( -2.765 8.451 -11.772) 14.753 37.392 ( -0.155 -11.003 0.246) 11.007 38.670 ( -2.868 -4.910 -10.947) 12.335 38.828 ( -0.460 -4.177 -2.876) 5.092 40.378 ( 2.087 6.859 7.054) 10.058 40.707 ( -3.341 9.130 6.899) 11.921 ======================= Grid point 22 (16/150) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -3.980 -0.139 -5.443) 6.744 1.211 ( 1.052 1.169 1.827) 2.411 1.356 ( -1.460 2.287 3.432) 4.375 1.418 ( 0.464 -7.285 -3.889) 8.271 1.606 ( 1.008 10.242 0.986) 10.339 1.728 ( 1.400 -2.117 0.990) 2.724 1.970 ( -0.604 -9.339 -1.668) 9.506 2.736 ( 6.410 3.002 5.466) 8.943 2.937 ( -5.518 13.543 -6.360) 15.947 3.152 ( -8.646 9.492 -6.252) 14.281 3.458 ( -4.605 10.925 -10.228) 15.658 4.000 ( 0.482 -3.745 6.462) 7.484 4.289 ( -7.774 2.630 -10.161) 13.061 4.523 ( -2.266 8.398 -2.227) 8.979 4.887 ( -0.400 10.268 -2.037) 10.475 5.066 ( 0.641 24.157 -4.417) 24.566 5.451 ( -5.267 8.436 -3.945) 10.699 5.816 ( -0.657 4.631 3.471) 5.825 5.959 ( -2.178 10.227 7.224) 12.709 6.212 ( 10.608 0.251 7.279) 12.868 6.493 ( 3.434 -4.963 -6.787) 9.082 6.571 ( -7.645 5.398 -1.937) 9.557 6.980 ( 1.152 6.932 7.023) 9.935 7.058 ( -0.408 -5.455 -1.208) 5.602 7.494 ( -4.108 -17.423 -6.418) 19.017 7.787 ( 0.768 -0.520 -3.793) 3.905 8.046 ( -2.596 -20.550 -0.341) 20.716 8.133 ( -1.396 0.281 -0.051) 1.425 8.500 ( 10.292 -10.760 9.838) 17.846 8.917 ( -3.959 -9.182 -7.877) 12.729 9.313 ( 0.421 -6.831 1.438) 6.993 9.467 ( 12.857 -5.917 14.180) 20.035 10.119 ( -2.369 -4.913 -1.888) 5.771 10.559 ( 2.840 -1.163 4.239) 5.233 10.633 ( 4.325 -4.160 1.253) 6.130 10.742 ( 0.654 -0.349 -2.423) 2.534 11.446 ( 1.095 2.522 4.790) 5.523 11.677 ( 7.511 -0.076 5.434) 9.271 11.928 ( -4.446 -0.108 -0.779) 4.515 12.212 ( -2.337 -3.676 -6.388) 7.732 12.288 ( -0.192 -3.210 0.045) 3.216 12.432 ( -5.658 2.388 -1.614) 6.349 12.662 ( 2.909 8.083 -0.865) 8.634 13.424 ( 5.757 1.957 5.949) 8.507 13.514 ( 4.248 9.527 4.132) 11.220 13.843 ( -0.389 7.376 -0.461) 7.400 14.119 ( -4.345 3.487 -5.313) 7.699 14.410 ( 3.004 -5.519 1.505) 6.461 14.590 ( -4.808 -2.473 -4.049) 6.754 15.243 ( -4.376 -13.029 -0.783) 13.767 15.282 ( -5.281 16.208 -1.042) 17.079 15.893 ( 3.685 -5.440 6.865) 9.503 16.128 ( 9.989 -1.368 7.912) 12.816 16.563 ( 7.976 0.162 -8.289) 11.504 16.760 ( -3.676 5.393 4.145) 7.731 16.953 ( -0.626 0.080 -0.720) 0.958 17.151 ( -6.688 -8.513 -3.441) 11.360 17.528 ( 1.698 -10.583 5.693) 12.137 17.749 ( -4.038 -4.538 -8.261) 10.255 18.098 ( -0.362 -1.833 -0.829) 2.044 18.512 ( -3.856 -3.857 -5.105) 7.470 18.628 ( -1.823 2.705 -3.473) 4.765 18.761 ( -0.633 -10.963 -4.494) 11.865 19.069 ( -5.397 2.265 -0.054) 5.853 19.448 ( 1.703 12.109 2.688) 12.520 19.478 ( 0.029 15.363 -1.324) 15.420 20.075 ( 0.999 4.271 1.686) 4.699 20.338 ( 1.822 3.025 2.444) 4.295 21.581 ( -0.214 -0.365 -0.065) 0.428 21.641 ( 0.155 1.370 0.160) 1.388 21.732 ( -0.884 0.622 -0.029) 1.081 21.968 ( 1.795 -2.980 1.103) 3.649 27.750 ( -0.408 -2.591 -0.027) 2.623 27.842 ( 0.006 -1.296 0.360) 1.345 27.887 ( 0.008 0.947 -0.543) 1.092 27.919 ( 0.414 1.604 0.484) 1.726 35.662 ( -1.193 -9.335 -1.532) 9.534 35.952 ( 1.329 2.891 9.880) 10.379 36.243 ( -4.202 3.338 -11.683) 12.856 37.600 ( 1.439 -15.803 4.454) 16.482 38.597 ( -3.293 -4.234 -9.068) 10.535 38.871 ( -0.262 -5.765 -1.471) 5.956 40.310 ( 1.251 13.758 2.816) 14.099 40.624 ( -0.299 7.319 2.719) 7.814 ======================= Grid point 23 (17/150) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 0.000 -0.234 0.000) 0.234 1.193 ( -0.000 3.925 -0.000) 3.925 1.321 ( -0.000 2.751 -0.000) 2.751 1.401 ( -0.000 14.922 -0.000) 14.922 1.530 ( 0.000 -2.745 0.000) 2.745 1.747 ( -0.000 1.756 -0.000) 1.756 2.125 ( 0.000 -14.291 0.000) 14.291 2.491 ( -0.000 30.139 -0.000) 30.139 2.803 ( -0.000 12.784 -0.000) 12.784 2.875 ( -0.000 0.526 -0.000) 0.526 3.350 ( -0.000 5.081 -0.000) 5.081 4.040 ( -0.000 6.353 -0.000) 6.353 4.214 ( -0.000 5.716 -0.000) 5.716 4.330 ( -0.000 12.821 -0.000) 12.821 4.624 ( -0.000 18.893 -0.000) 18.893 4.784 ( -0.000 5.899 -0.000) 5.899 5.250 ( -0.000 9.579 -0.000) 9.579 5.842 ( -0.000 10.143 -0.000) 10.143 5.852 ( 0.000 -2.165 0.000) 2.165 6.041 ( -0.000 23.783 -0.000) 23.783 6.546 ( -0.000 1.601 -0.000) 1.601 6.739 ( 0.000 -24.187 0.000) 24.187 6.963 ( -0.000 4.937 -0.000) 4.937 7.040 ( 0.000 -0.709 0.000) 0.709 7.717 ( 0.000 -21.524 0.000) 21.524 7.830 ( 0.000 -7.986 0.000) 7.986 8.078 ( -0.000 6.140 -0.000) 6.140 8.310 ( 0.000 -19.966 0.000) 19.966 8.747 ( 0.000 -2.348 0.000) 2.348 8.999 ( 0.000 -17.837 0.000) 17.837 9.437 ( 0.000 -8.272 0.000) 8.272 9.667 ( 0.000 -3.283 0.000) 3.283 10.170 ( 0.000 -6.192 0.000) 6.192 10.615 ( 0.000 -0.599 0.000) 0.599 10.713 ( 0.000 -5.645 0.000) 5.645 10.758 ( 0.000 -2.181 0.000) 2.181 11.428 ( -0.000 5.044 -0.000) 5.044 11.767 ( 0.000 -0.426 0.000) 0.426 11.899 ( 0.000 -0.375 0.000) 0.375 12.211 ( 0.000 -4.057 0.000) 4.057 12.321 ( 0.000 -2.545 0.000) 2.545 12.359 ( -0.000 1.808 -0.000) 1.808 12.550 ( -0.000 7.954 -0.000) 7.954 13.406 ( -0.000 14.899 -0.000) 14.899 13.511 ( 0.000 -3.131 0.000) 3.131 13.730 ( -0.000 7.752 -0.000) 7.752 13.945 ( -0.000 8.055 -0.000) 8.055 14.476 ( -0.000 7.900 -0.000) 7.900 14.663 ( 0.000 -17.822 0.000) 17.822 14.989 ( -0.000 19.190 -0.000) 19.190 15.463 ( 0.000 -21.227 0.000) 21.227 16.061 ( 0.000 -10.341 0.000) 10.341 16.243 ( 0.000 -0.813 0.000) 0.813 16.549 ( -0.000 2.423 -0.000) 2.423 16.702 ( -0.000 4.109 -0.000) 4.109 16.953 ( -0.000 0.969 -0.000) 0.969 17.206 ( 0.000 -10.727 0.000) 10.727 17.700 ( 0.000 -3.050 0.000) 3.050 17.717 ( 0.000 -9.140 0.000) 9.140 18.125 ( 0.000 -2.209 0.000) 2.209 18.527 ( 0.000 -4.923 0.000) 4.923 18.549 ( -0.000 3.540 -0.000) 3.540 18.884 ( 0.000 -10.468 0.000) 10.468 18.982 ( -0.000 7.650 -0.000) 7.650 19.172 ( -0.000 23.573 -0.000) 23.573 19.370 ( -0.000 6.282 -0.000) 6.282 20.035 ( -0.000 3.795 -0.000) 3.795 20.318 ( -0.000 3.275 -0.000) 3.275 21.585 ( 0.000 -0.557 0.000) 0.557 21.626 ( -0.000 1.121 -0.000) 1.121 21.716 ( -0.000 1.052 -0.000) 1.052 22.027 ( 0.000 -3.198 0.000) 3.198 27.783 ( 0.000 -2.670 0.000) 2.670 27.862 ( -0.000 2.207 -0.000) 2.207 27.868 ( 0.000 -1.881 0.000) 1.881 27.903 ( -0.000 1.479 -0.000) 1.479 35.780 ( 0.000 -10.030 0.000) 10.030 35.910 ( -0.000 11.379 -0.000) 11.379 36.168 ( 0.000 -4.510 0.000) 4.510 37.889 ( 0.000 -19.913 0.000) 19.913 38.565 ( 0.000 -3.006 0.000) 3.006 38.942 ( 0.000 -6.130 0.000) 6.130 40.107 ( -0.000 19.038 -0.000) 19.038 40.554 ( -0.000 5.321 -0.000) 5.321 ======================= Grid point 28 (18/150) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -3.464 -0.000 -4.468) 5.654 1.054 ( -12.928 -0.000 -1.469) 13.011 1.291 ( 1.817 0.000 2.780) 3.321 1.435 ( 1.263 0.000 1.387) 1.876 1.636 ( 1.938 0.000 -0.054) 1.938 1.765 ( 3.018 0.000 2.606) 3.987 1.871 ( -2.324 -0.000 -3.679) 4.352 2.596 ( 5.180 0.000 8.683) 10.111 3.198 ( 9.709 0.000 4.436) 10.674 3.264 ( -2.567 -0.000 -5.058) 5.672 3.978 ( -6.006 -0.000 -6.515) 8.861 4.135 ( -17.125 -0.000 -11.647) 20.710 4.478 ( 4.210 0.000 -1.746) 4.558 4.609 ( 2.533 0.000 2.131) 3.311 5.027 ( 8.714 0.000 11.500) 14.429 5.343 ( -6.071 -0.000 -1.318) 6.213 5.684 ( 8.252 0.000 17.643) 19.478 5.993 ( -11.813 -0.000 -7.506) 13.996 6.032 ( 11.309 0.000 -4.318) 12.106 6.450 ( 6.161 0.000 -15.638) 16.808 6.470 ( 2.856 0.000 -7.456) 7.984 6.735 ( 0.620 0.000 -15.010) 15.023 6.944 ( -21.187 -0.000 1.499) 21.239 7.056 ( 0.513 0.000 15.733) 15.742 7.305 ( -6.917 -0.000 11.552) 13.464 7.497 ( -6.484 -0.000 -3.704) 7.467 7.727 ( 7.171 0.000 -0.153) 7.173 8.042 ( 1.139 0.000 -3.978) 4.138 8.445 ( -2.782 -0.000 -4.038) 4.903 8.692 ( 29.860 0.000 36.646) 47.271 9.055 ( -8.073 -0.000 -17.895) 19.632 9.243 ( -5.071 -0.000 -8.050) 9.513 10.069 ( -2.601 -0.000 -4.518) 5.214 10.455 ( 1.381 0.000 5.002) 5.189 10.502 ( 4.957 0.000 -1.017) 5.060 10.791 ( -1.520 -0.000 -2.246) 2.712 11.390 ( -0.657 -0.000 4.073) 4.125 11.569 ( 4.422 0.000 5.629) 7.158 11.959 ( -1.730 -0.000 -1.163) 2.085 12.216 ( -1.311 -0.000 -7.040) 7.161 12.228 ( -3.144 -0.000 1.222) 3.373 12.499 ( 3.668 0.000 -6.392) 7.370 12.755 ( 7.288 0.000 7.762) 10.647 13.463 ( -2.301 -0.000 2.194) 3.179 13.650 ( 8.718 0.000 4.647) 9.880 13.976 ( 5.686 0.000 -2.699) 6.294 14.096 ( -3.115 -0.000 9.884) 10.363 14.198 ( 1.364 0.000 -0.220) 1.382 14.752 ( -13.597 -0.000 -8.655) 16.118 15.146 ( -10.588 -0.000 -4.682) 11.577 15.661 ( 5.667 0.000 7.754) 9.604 15.767 ( 17.809 0.000 18.164) 25.438 16.100 ( -5.640 -0.000 -14.975) 16.002 16.202 ( 3.790 0.000 3.352) 5.059 16.891 ( 0.815 0.000 5.517) 5.577 17.012 ( -9.363 -0.000 -6.800) 11.572 17.181 ( -0.168 -0.000 -3.830) 3.834 17.300 ( -1.913 -0.000 -7.666) 7.901 17.751 ( 1.413 0.000 -1.064) 1.768 18.084 ( -1.795 -0.000 -1.384) 2.267 18.323 ( 1.714 0.000 -1.779) 2.470 18.569 ( -7.960 -0.000 -9.705) 12.552 18.874 ( -5.258 -0.000 -7.096) 8.832 19.153 ( -6.124 -0.000 1.095) 6.221 19.584 ( 4.536 0.000 3.017) 5.448 19.779 ( 1.402 0.000 4.651) 4.858 20.232 ( 0.483 0.000 1.519) 1.594 20.329 ( 4.966 0.000 4.878) 6.961 21.577 ( -0.219 -0.000 0.123) 0.251 21.680 ( 0.179 0.000 0.336) 0.381 21.744 ( -1.462 -0.000 1.225) 1.907 21.861 ( 2.719 0.000 0.199) 2.726 27.698 ( -0.541 -0.000 -0.314) 0.626 27.815 ( -0.685 -0.000 -0.036) 0.686 27.904 ( -1.100 -0.000 -0.774) 1.345 27.947 ( 1.312 0.000 1.109) 1.718 35.499 ( -5.224 -0.000 -2.969) 6.009 35.801 ( 0.585 0.000 9.691) 9.709 36.650 ( -2.696 -0.000 -12.204) 12.498 37.198 ( -1.566 -0.000 -3.394) 3.738 38.604 ( -1.102 -0.000 -8.544) 8.615 38.772 ( -1.049 -0.000 -3.497) 3.651 40.460 ( 2.001 0.000 8.354) 8.590 40.853 ( -5.382 -0.000 7.829) 9.501 ======================= Grid point 29 (19/150) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -2.751 2.002 -3.324) 4.757 0.995 ( -7.119 -10.709 -0.745) 12.881 1.322 ( 1.086 0.627 1.214) 1.745 1.447 ( 0.568 1.516 0.191) 1.630 1.663 ( 1.169 -1.521 0.701) 2.043 1.783 ( 1.671 3.655 0.992) 4.140 1.852 ( -0.476 -1.882 -0.952) 2.162 2.743 ( 5.749 -0.852 7.173) 9.232 3.148 ( -4.465 3.357 -5.700) 7.981 3.305 ( 5.247 2.474 3.422) 6.735 3.701 ( -15.457 5.141 -19.083) 25.090 3.854 ( -6.174 -3.808 -4.590) 8.584 4.545 ( -2.386 11.274 1.003) 11.567 4.661 ( 7.689 1.901 6.249) 10.089 5.122 ( -1.976 7.746 2.242) 8.302 5.331 ( 4.067 -3.673 8.060) 9.746 5.684 ( -6.612 5.222 -7.010) 10.961 5.945 ( 8.706 4.207 7.194) 12.051 6.155 ( 1.050 8.285 -11.344) 14.087 6.263 ( 8.356 -4.156 1.351) 9.430 6.384 ( 2.530 9.470 -4.111) 10.629 6.725 ( -17.675 -1.810 6.627) 18.964 6.834 ( 4.844 -11.180 -12.200) 17.242 7.183 ( -3.024 4.050 8.138) 9.579 7.274 ( -1.294 1.977 9.225) 9.523 7.485 ( -7.620 -12.484 -2.062) 14.770 7.935 ( 13.030 -2.353 4.391) 13.950 8.024 ( -0.532 -5.108 -3.460) 6.192 8.286 ( -2.795 4.683 -7.167) 9.006 8.765 ( -11.342 -5.785 -15.687) 20.204 9.164 ( -2.031 -2.895 -2.599) 4.388 9.315 ( 17.069 -4.519 21.016) 27.449 10.030 ( -1.426 -1.699 -2.106) 3.058 10.534 ( 2.799 -0.581 4.609) 5.424 10.574 ( 3.210 -0.904 2.577) 4.214 10.759 ( 1.423 1.014 -2.375) 2.949 11.450 ( 1.016 -1.176 5.289) 5.513 11.669 ( 4.501 -0.353 4.187) 6.157 11.937 ( -1.444 0.519 -0.345) 1.573 12.152 ( -1.023 -1.070 -5.033) 5.246 12.205 ( -2.529 -2.231 -1.387) 3.647 12.485 ( 1.601 1.412 -2.395) 3.208 12.862 ( 4.904 5.161 5.133) 8.777 13.443 ( -1.272 1.080 1.410) 2.184 13.728 ( 5.869 4.065 3.350) 7.886 13.987 ( 1.007 1.390 -2.287) 2.860 14.123 ( -0.269 1.166 3.103) 3.326 14.247 ( -1.789 -5.733 -0.180) 6.008 14.550 ( -8.363 -0.424 -6.211) 10.426 15.018 ( -7.070 -3.431 -4.263) 8.940 15.697 ( 0.984 10.161 0.840) 10.243 15.882 ( -0.632 3.833 -1.699) 4.240 16.086 ( 11.809 -0.139 12.254) 17.019 16.409 ( 5.254 -10.546 -0.043) 11.782 16.838 ( -8.422 -2.800 -6.417) 10.952 16.911 ( 0.710 4.549 3.905) 6.037 17.171 ( -2.012 3.929 -5.214) 6.831 17.255 ( 0.986 -8.264 2.194) 8.607 17.728 ( -0.445 2.145 -2.222) 3.121 18.063 ( -0.852 -0.727 -0.607) 1.274 18.381 ( -2.796 -8.267 -4.696) 9.910 18.452 ( -0.323 -3.621 -3.425) 4.995 18.748 ( -3.629 2.216 -4.844) 6.446 19.077 ( -6.327 -0.309 -0.937) 6.404 19.634 ( 3.291 3.648 2.499) 5.512 19.791 ( 0.242 4.948 1.819) 5.277 20.216 ( 1.270 4.878 0.766) 5.099 20.400 ( 2.172 1.353 2.942) 3.899 21.577 ( -0.121 -0.028 0.038) 0.130 21.677 ( 0.092 1.030 0.272) 1.069 21.740 ( -0.836 0.027 0.427) 0.940 21.899 ( 1.540 -1.733 0.350) 2.345 27.699 ( -0.297 -1.068 -0.126) 1.116 27.813 ( -0.386 -0.676 -0.005) 0.778 27.890 ( -0.522 -0.237 -0.512) 0.768 27.961 ( 0.789 1.033 0.670) 1.463 35.464 ( -2.468 -4.465 -1.677) 5.371 35.918 ( 1.327 -2.090 8.738) 9.082 36.452 ( -2.828 7.973 -9.917) 13.035 37.227 ( -1.095 -10.230 -1.287) 10.368 38.533 ( -1.123 -0.974 -5.350) 5.552 38.754 ( -0.505 -2.545 -1.712) 3.109 40.522 ( 1.425 3.273 4.448) 5.704 40.829 ( -2.295 5.607 3.812) 7.158 ======================= Grid point 30 (20/150) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -0.000 1.916 -0.000) 1.916 1.137 ( 0.000 -13.591 0.000) 13.591 1.329 ( 0.000 -0.740 0.000) 0.740 1.415 ( -0.000 3.464 -0.000) 3.464 1.706 ( 0.000 -2.888 0.000) 2.888 1.731 ( -0.000 6.639 -0.000) 6.639 1.877 ( 0.000 -3.667 0.000) 3.667 2.849 ( 0.000 -1.900 0.000) 1.900 2.989 ( -0.000 9.764 -0.000) 9.764 3.239 ( -0.000 13.664 -0.000) 13.664 3.463 ( -0.000 3.041 -0.000) 3.041 3.906 ( 0.000 -11.411 0.000) 11.411 4.317 ( -0.000 15.745 -0.000) 15.745 4.652 ( -0.000 9.770 -0.000) 9.770 5.001 ( -0.000 8.673 -0.000) 8.673 5.359 ( -0.000 15.290 -0.000) 15.290 5.529 ( -0.000 8.404 -0.000) 8.404 5.977 ( -0.000 15.929 -0.000) 15.929 6.034 ( 0.000 -8.235 0.000) 8.235 6.242 ( -0.000 4.892 -0.000) 4.892 6.354 ( 0.000 -7.670 0.000) 7.670 6.695 ( -0.000 13.358 -0.000) 13.358 6.946 ( 0.000 -17.957 0.000) 17.957 7.130 ( -0.000 5.499 -0.000) 5.499 7.279 ( -0.000 1.078 -0.000) 1.078 7.702 ( 0.000 -24.448 0.000) 24.448 7.845 ( -0.000 11.802 -0.000) 11.802 8.088 ( 0.000 -5.406 0.000) 5.406 8.461 ( 0.000 -20.628 0.000) 20.628 8.678 ( 0.000 -3.986 0.000) 3.986 9.212 ( 0.000 -7.422 0.000) 7.422 9.564 ( 0.000 -3.992 0.000) 3.992 10.040 ( 0.000 -3.060 0.000) 3.060 10.594 ( 0.000 -0.822 0.000) 0.822 10.615 ( 0.000 -2.048 0.000) 2.048 10.748 ( -0.000 0.755 -0.000) 0.755 11.501 ( 0.000 -0.019 0.000) 0.019 11.737 ( 0.000 -1.596 0.000) 1.596 11.909 ( -0.000 1.291 -0.000) 1.291 12.133 ( 0.000 -1.512 0.000) 1.512 12.225 ( 0.000 -3.919 0.000) 3.919 12.441 ( -0.000 3.511 -0.000) 3.511 12.806 ( -0.000 9.754 -0.000) 9.754 13.451 ( 0.000 -1.131 0.000) 1.131 13.724 ( -0.000 7.225 -0.000) 7.225 13.923 ( -0.000 5.760 -0.000) 5.760 14.121 ( -0.000 4.066 -0.000) 4.066 14.289 ( 0.000 -8.951 0.000) 8.951 14.513 ( 0.000 -3.199 0.000) 3.199 15.043 ( 0.000 -9.612 0.000) 9.612 15.495 ( -0.000 17.576 -0.000) 17.576 15.891 ( 0.000 -2.136 0.000) 2.136 16.221 ( 0.000 -0.380 0.000) 0.380 16.524 ( 0.000 -5.092 0.000) 5.092 16.809 ( -0.000 0.791 -0.000) 0.791 16.928 ( 0.000 -5.910 0.000) 5.910 17.054 ( -0.000 5.893 -0.000) 5.893 17.420 ( 0.000 -11.880 0.000) 11.880 17.675 ( -0.000 1.712 -0.000) 1.712 18.072 ( 0.000 -1.587 0.000) 1.587 18.394 ( 0.000 -4.980 0.000) 4.980 18.573 ( 0.000 -11.633 0.000) 11.633 18.659 ( -0.000 4.020 -0.000) 4.020 19.041 ( 0.000 -0.436 0.000) 0.436 19.593 ( -0.000 7.251 -0.000) 7.251 19.682 ( -0.000 12.880 -0.000) 12.880 20.156 ( -0.000 5.566 -0.000) 5.566 20.398 ( -0.000 2.612 -0.000) 2.612 21.577 ( 0.000 -0.115 0.000) 0.115 21.662 ( -0.000 1.446 -0.000) 1.446 21.734 ( -0.000 0.355 -0.000) 0.355 21.941 ( 0.000 -2.935 0.000) 2.935 27.717 ( 0.000 -1.993 0.000) 1.993 27.825 ( 0.000 -1.300 0.000) 1.300 27.888 ( 0.000 -0.141 0.000) 0.141 27.949 ( -0.000 1.833 -0.000) 1.833 35.528 ( 0.000 -8.032 0.000) 8.032 36.032 ( 0.000 -4.895 0.000) 4.895 36.233 ( -0.000 12.198 -0.000) 12.198 37.400 ( 0.000 -16.341 0.000) 16.341 38.509 ( 0.000 -1.103 0.000) 1.103 38.792 ( 0.000 -4.644 0.000) 4.644 40.479 ( -0.000 8.060 -0.000) 8.060 40.741 ( -0.000 8.273 -0.000) 8.273 ======================= Grid point 38 (21/150) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 0.000 -0.000 0.000) 0.000 0.861 ( -0.000 0.000 -0.000) 0.000 1.339 ( -0.000 0.000 -0.000) 0.000 1.464 ( -0.000 0.000 -0.000) 0.000 1.661 ( -0.000 0.000 -0.000) 0.000 1.825 ( -0.000 0.000 -0.000) 0.000 1.831 ( 0.000 -0.000 0.000) 0.000 2.813 ( -0.000 0.000 -0.000) 0.000 3.106 ( -0.000 0.000 -0.000) 0.000 3.415 ( -0.000 0.000 -0.000) 0.000 3.501 ( -0.000 0.000 -0.000) 0.000 3.755 ( -0.000 0.000 -0.000) 0.000 4.660 ( 0.000 -0.000 0.000) 0.000 4.759 ( -0.000 0.000 -0.000) 0.000 5.224 ( 0.000 -0.000 0.000) 0.000 5.345 ( -0.000 0.000 -0.000) 0.000 5.548 ( -0.000 0.000 -0.000) 0.000 6.057 ( -0.000 0.000 -0.000) 0.000 6.179 ( -0.000 0.000 -0.000) 0.000 6.304 ( 0.000 -0.000 0.000) 0.000 6.509 ( 0.000 -0.000 0.000) 0.000 6.648 ( -0.000 0.000 -0.000) 0.000 6.717 ( -0.000 0.000 -0.000) 0.000 7.189 ( -0.000 0.000 -0.000) 0.000 7.241 ( -0.000 0.000 -0.000) 0.000 7.442 ( -0.000 0.000 -0.000) 0.000 7.954 ( 0.000 -0.000 0.000) 0.000 8.112 ( -0.000 0.000 -0.000) 0.000 8.321 ( -0.000 0.000 -0.000) 0.000 8.407 ( 0.000 -0.000 0.000) 0.000 9.118 ( -0.000 0.000 -0.000) 0.000 9.500 ( -0.000 0.000 -0.000) 0.000 10.003 ( -0.000 0.000 -0.000) 0.000 10.581 ( -0.000 0.000 -0.000) 0.000 10.588 ( -0.000 0.000 -0.000) 0.000 10.766 ( -0.000 0.000 -0.000) 0.000 11.481 ( -0.000 0.000 -0.000) 0.000 11.710 ( -0.000 0.000 -0.000) 0.000 11.937 ( -0.000 0.000 -0.000) 0.000 12.116 ( -0.000 0.000 -0.000) 0.000 12.159 ( -0.000 0.000 -0.000) 0.000 12.501 ( -0.000 0.000 -0.000) 0.000 12.963 ( -0.000 0.000 -0.000) 0.000 13.440 ( -0.000 0.000 -0.000) 0.000 13.785 ( -0.000 0.000 -0.000) 0.000 13.984 ( -0.000 0.000 -0.000) 0.000 14.166 ( -0.000 0.000 -0.000) 0.000 14.200 ( -0.000 0.000 -0.000) 0.000 14.457 ( -0.000 0.000 -0.000) 0.000 14.929 ( -0.000 0.000 -0.000) 0.000 15.793 ( -0.000 0.000 -0.000) 0.000 15.864 ( -0.000 0.000 -0.000) 0.000 16.225 ( -0.000 0.000 -0.000) 0.000 16.405 ( -0.000 0.000 -0.000) 0.000 16.703 ( -0.000 0.000 -0.000) 0.000 16.996 ( -0.000 0.000 -0.000) 0.000 17.150 ( -0.000 0.000 -0.000) 0.000 17.196 ( -0.000 0.000 -0.000) 0.000 17.740 ( -0.000 0.000 -0.000) 0.000 18.050 ( -0.000 0.000 -0.000) 0.000 18.281 ( -0.000 0.000 -0.000) 0.000 18.409 ( -0.000 0.000 -0.000) 0.000 18.719 ( -0.000 0.000 -0.000) 0.000 19.030 ( -0.000 0.000 -0.000) 0.000 19.689 ( -0.000 0.000 -0.000) 0.000 19.836 ( -0.000 0.000 -0.000) 0.000 20.258 ( -0.000 0.000 -0.000) 0.000 20.437 ( -0.000 0.000 -0.000) 0.000 21.576 ( -0.000 0.000 -0.000) 0.000 21.686 ( -0.000 0.000 -0.000) 0.000 21.738 ( -0.000 0.000 -0.000) 0.000 21.897 ( -0.000 0.000 -0.000) 0.000 27.689 ( -0.000 0.000 -0.000) 0.000 27.806 ( -0.000 0.000 -0.000) 0.000 27.882 ( -0.000 0.000 -0.000) 0.000 27.976 ( -0.000 0.000 -0.000) 0.000 35.412 ( -0.000 0.000 -0.000) 0.000 35.959 ( -0.000 0.000 -0.000) 0.000 36.443 ( -0.000 0.000 -0.000) 0.000 37.135 ( -0.000 0.000 -0.000) 0.000 38.498 ( -0.000 0.000 -0.000) 0.000 38.725 ( -0.000 0.000 -0.000) 0.000 40.574 ( -0.000 0.000 -0.000) 0.000 40.873 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 67 (22/150) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 1.410 0.000 24.722) 24.762 0.680 ( 10.150 0.000 28.942) 30.670 0.801 ( 12.529 0.000 10.474) 16.331 0.968 ( -3.280 -0.000 -0.381) 3.302 1.500 ( -1.503 -0.000 2.074) 2.562 1.618 ( -2.641 -0.000 3.282) 4.212 1.945 ( 44.156 0.000 63.183) 77.083 2.046 ( 5.352 0.000 7.096) 8.888 2.835 ( -12.636 -0.000 13.549) 18.527 3.139 ( 2.417 0.000 1.321) 2.754 3.184 ( -7.901 -0.000 0.686) 7.930 3.194 ( -10.866 -0.000 -7.841) 13.400 3.631 ( -1.725 -0.000 4.346) 4.676 4.087 ( 3.953 0.000 9.930) 10.688 4.702 ( 1.290 0.000 -7.081) 7.197 5.040 ( 5.813 0.000 8.069) 9.945 5.052 ( 3.050 0.000 11.722) 12.112 5.480 ( 2.604 0.000 -3.685) 4.513 5.672 ( -2.851 -0.000 -2.969) 4.116 5.972 ( 3.000 0.000 12.218) 12.581 6.295 ( -2.113 -0.000 -2.786) 3.497 6.658 ( -8.174 -0.000 -10.256) 13.115 7.132 ( 2.978 0.000 -0.835) 3.093 7.618 ( -0.267 -0.000 -0.993) 1.028 7.696 ( -0.252 -0.000 -2.784) 2.795 8.201 ( -1.891 -0.000 -8.902) 9.101 8.260 ( -4.045 -0.000 -4.091) 5.753 8.798 ( -0.693 -0.000 -0.285) 0.749 8.841 ( -0.553 -0.000 -0.422) 0.696 9.246 ( -4.734 -0.000 -14.487) 15.241 9.339 ( -7.986 -0.000 -19.477) 21.051 9.787 ( -3.122 -0.000 0.552) 3.170 10.368 ( 2.032 0.000 0.532) 2.100 10.661 ( -1.232 -0.000 3.624) 3.828 10.751 ( -5.855 -0.000 -2.975) 6.568 11.148 ( 1.874 0.000 -8.952) 9.146 11.445 ( 21.412 0.000 -8.967) 23.214 11.602 ( -11.731 -0.000 -9.552) 15.128 12.001 ( 17.009 0.000 4.925) 17.708 12.036 ( 8.858 0.000 6.722) 11.119 12.403 ( 0.118 0.000 -1.622) 1.627 12.609 ( 0.246 0.000 2.617) 2.628 12.725 ( 2.690 0.000 3.448) 4.374 12.936 ( -9.293 -0.000 4.279) 10.231 13.494 ( 3.167 0.000 -3.711) 4.879 13.548 ( -3.074 -0.000 -2.476) 3.947 13.748 ( 2.737 0.000 8.545) 8.972 14.288 ( -11.905 -0.000 -0.916) 11.940 14.485 ( 13.855 0.000 10.844) 17.594 14.715 ( -71.205 -0.000 4.032) 71.319 15.707 ( -3.608 -0.000 -1.245) 3.817 15.948 ( -6.953 -0.000 -1.827) 7.189 16.245 ( 2.333 0.000 3.037) 3.829 16.745 ( 3.147 0.000 -16.293) 16.594 16.871 ( 0.496 0.000 1.949) 2.011 17.245 ( -3.988 -0.000 -9.882) 10.657 17.357 ( -6.000 -0.000 4.121) 7.278 17.591 ( -0.458 -0.000 0.378) 0.594 18.031 ( -0.745 -0.000 0.383) 0.838 18.270 ( 7.293 0.000 3.744) 8.197 18.466 ( -3.465 -0.000 -8.746) 9.407 18.488 ( -2.809 -0.000 2.010) 3.453 18.771 ( 8.022 0.000 13.414) 15.630 18.794 ( 45.177 0.000 4.092) 45.361 19.214 ( -1.105 -0.000 4.753) 4.880 19.450 ( 20.778 0.000 -3.255) 21.032 19.928 ( 1.495 0.000 1.481) 2.104 20.194 ( 3.417 0.000 -0.236) 3.425 21.606 ( -0.532 -0.000 0.801) 0.961 21.644 ( 0.749 0.000 0.636) 0.983 21.821 ( -0.164 -0.000 0.137) 0.214 21.941 ( -28.732 -0.000 -0.978) 28.749 27.773 ( 0.545 0.000 -0.521) 0.754 27.810 ( 1.135 0.000 -1.157) 1.621 27.864 ( -0.614 -0.000 0.138) 0.629 27.979 ( 0.737 0.000 0.676) 1.000 35.577 ( 3.275 0.000 0.589) 3.327 36.147 ( -4.277 -0.000 0.718) 4.337 36.526 ( 32.236 0.000 5.108) 32.639 37.076 ( 4.464 0.000 -3.993) 5.990 38.939 ( -0.673 -0.000 -5.155) 5.199 39.057 ( -0.041 -0.000 -7.368) 7.368 40.064 ( 0.487 0.000 8.166) 8.181 40.596 ( 69.151 0.000 1.899) 69.177 ======================= Grid point 68 (23/150) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 7.105 5.184 4.858) 10.048 0.950 ( -2.416 -3.786 0.100) 4.492 1.008 ( 9.384 -5.585 18.716) 21.669 1.198 ( 7.433 -15.313 13.084) 21.470 1.470 ( -2.253 3.752 2.365) 4.975 1.623 ( -2.752 0.162 3.916) 4.789 2.296 ( 11.683 -6.632 8.666) 15.987 2.486 ( 2.976 -5.417 10.629) 12.295 2.924 ( -13.681 5.556 -5.930) 15.912 2.965 ( -13.668 1.375 -3.513) 14.179 3.245 ( 12.205 4.910 8.273) 15.541 3.631 ( 30.219 -13.486 32.104) 46.106 3.850 ( 13.552 -14.775 38.296) 43.227 4.235 ( 6.417 -3.810 5.786) 9.443 4.693 ( 3.776 1.893 3.332) 5.380 5.239 ( 11.905 1.518 11.853) 16.868 5.255 ( 3.488 -4.199 13.286) 14.364 5.453 ( 6.717 4.116 -0.805) 7.919 5.641 ( -2.932 -3.014 -2.194) 4.743 6.121 ( 3.225 9.723 -8.309) 13.190 6.235 ( 1.421 -6.107 10.337) 12.090 6.514 ( -4.435 -7.331 -12.798) 15.401 7.111 ( 0.756 6.646 -3.118) 7.380 7.500 ( -9.948 5.198 4.241) 11.998 7.736 ( 5.070 -3.964 -4.945) 8.116 8.024 ( -8.666 4.304 -16.990) 19.552 8.117 ( -5.897 -1.182 -6.034) 8.519 8.679 ( -11.448 8.386 -7.433) 16.019 8.775 ( 1.104 2.174 -6.463) 6.907 9.007 ( -14.290 2.318 -18.780) 23.712 9.095 ( -2.929 -4.378 -10.220) 11.497 9.685 ( -5.787 2.508 -7.387) 9.713 10.373 ( -0.479 2.516 2.479) 3.565 10.596 ( -5.610 1.863 -6.131) 8.517 10.701 ( -3.558 -1.810 -0.697) 4.053 11.108 ( 5.457 0.573 -6.008) 8.137 11.352 ( -6.098 5.321 -6.150) 10.165 11.496 ( 3.566 1.766 -6.514) 7.633 12.105 ( 7.852 6.436 5.943) 11.764 12.223 ( 12.943 -0.349 -0.833) 12.975 12.355 ( -2.907 1.350 -1.972) 3.763 12.578 ( -5.871 -1.328 1.336) 6.166 12.741 ( -1.274 5.447 1.408) 5.768 12.884 ( -6.209 -3.219 4.689) 8.420 13.439 ( -1.884 1.060 -0.834) 2.317 13.623 ( 2.040 -9.211 -1.595) 9.568 13.873 ( 0.377 -2.374 11.782) 12.025 14.167 ( -4.300 0.764 2.063) 4.830 14.501 ( -1.666 -2.357 13.876) 14.173 14.894 ( 4.388 -15.892 6.632) 17.771 15.585 ( -6.827 4.485 -2.431) 8.522 15.859 ( -9.866 -3.606 -4.180) 11.305 16.345 ( 5.671 1.836 -0.233) 5.965 16.507 ( -2.210 6.888 -10.937) 13.113 16.802 ( 1.759 13.088 -0.607) 13.220 17.134 ( -3.594 -2.156 -5.269) 6.733 17.381 ( -6.139 -7.791 3.366) 10.475 17.631 ( -1.603 -6.089 -4.009) 7.464 18.009 ( -1.932 -0.060 -3.185) 3.726 18.326 ( -0.290 -3.272 -7.985) 8.634 18.449 ( 6.889 -5.964 -2.324) 9.403 18.530 ( -0.961 -1.282 11.313) 11.426 18.922 ( 17.555 16.016 7.468) 24.909 19.053 ( 5.718 2.292 10.794) 12.429 19.305 ( 4.084 -4.116 7.503) 9.483 19.430 ( 0.853 4.394 -8.258) 9.393 19.947 ( 2.864 2.343 -0.023) 3.700 20.221 ( 2.363 1.952 -0.141) 3.068 21.606 ( -0.934 -0.079 0.705) 1.173 21.660 ( 0.270 1.368 1.503) 2.050 21.715 ( -4.284 1.794 3.307) 5.701 21.890 ( -6.108 -6.616 -1.212) 9.085 27.773 ( -0.415 -0.768 -0.418) 0.968 27.819 ( 1.118 -0.593 -1.140) 1.704 27.861 ( 0.168 0.303 0.275) 0.443 27.972 ( -0.550 1.532 0.483) 1.698 35.636 ( 2.023 -2.237 2.542) 3.945 36.052 ( -7.310 2.688 -1.458) 7.924 36.651 ( 12.715 11.970 2.191) 17.600 37.289 ( 5.576 -18.837 -12.646) 23.364 38.884 ( 0.548 -1.447 -6.921) 7.092 38.992 ( -0.302 -2.075 -7.548) 7.834 40.130 ( 0.382 3.292 10.338) 10.857 40.832 ( 15.726 17.125 0.196) 23.250 ======================= Grid point 69 (24/150) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.070 2.098 0.509) 2.160 0.987 ( 2.486 -0.871 0.492) 2.680 1.314 ( 4.295 -5.764 10.284) 12.547 1.408 ( -0.947 5.817 3.698) 6.958 1.502 ( 0.673 -11.056 3.664) 11.667 1.629 ( -2.990 0.800 4.814) 5.724 2.478 ( -6.047 0.425 -1.165) 6.173 2.542 ( 1.093 1.424 0.492) 1.861 2.773 ( -13.779 -4.845 -2.941) 14.899 2.923 ( 13.622 -2.071 6.195) 15.107 3.541 ( 18.914 -8.713 15.765) 26.119 3.911 ( -1.305 -6.642 5.036) 8.437 4.315 ( 10.448 -1.830 3.758) 11.253 4.656 ( 3.206 2.793 12.858) 13.543 5.199 ( 26.060 -12.425 32.863) 43.744 5.327 ( -4.070 1.206 -5.900) 7.268 5.501 ( 19.794 -0.979 27.923) 34.241 5.552 ( 0.400 -3.911 -3.963) 5.582 5.635 ( 7.171 0.192 7.638) 10.479 5.890 ( 3.415 6.290 -7.387) 10.286 6.317 ( -3.516 1.245 -5.629) 6.752 6.649 ( 7.422 -6.591 6.962) 12.125 6.917 ( -1.963 6.712 0.569) 7.016 7.364 ( -11.466 2.556 -8.140) 14.292 7.701 ( -6.187 -3.834 -9.610) 12.055 7.798 ( 0.400 -3.051 -9.865) 10.334 8.056 ( -5.927 -1.709 -0.227) 6.172 8.292 ( -18.187 5.538 -13.103) 23.089 8.593 ( -11.768 8.283 -13.173) 19.509 8.664 ( -5.368 4.626 -6.753) 9.788 9.098 ( 1.887 -3.947 -3.641) 5.692 9.484 ( -4.633 4.785 -10.510) 12.443 10.337 ( -2.738 2.536 0.372) 3.751 10.462 ( -2.474 2.705 -5.545) 6.647 10.633 ( -5.685 0.589 -2.490) 6.234 11.114 ( 1.249 3.497 -2.758) 4.626 11.178 ( -3.313 -1.363 -5.622) 6.667 11.456 ( 2.170 3.548 -0.690) 4.216 12.150 ( 3.143 2.386 3.545) 5.305 12.280 ( -0.888 2.267 -3.360) 4.150 12.337 ( 10.595 -0.624 -1.867) 10.776 12.559 ( -2.741 -3.861 -4.066) 6.241 12.663 ( -7.425 -0.930 1.726) 7.679 12.924 ( 3.332 4.401 5.590) 7.856 13.422 ( -3.034 -2.252 0.704) 3.843 13.751 ( 3.135 -3.601 2.660) 5.466 14.045 ( -0.105 -5.582 8.924) 10.526 14.153 ( -2.856 -2.082 2.706) 4.451 14.726 ( 10.279 -1.921 12.660) 16.420 15.156 ( 5.588 -6.260 6.578) 10.662 15.453 ( -7.486 -0.105 -3.031) 8.077 15.730 ( -7.553 2.404 -4.739) 9.235 16.112 ( -6.512 9.222 -8.753) 14.285 16.478 ( 5.197 4.641 -10.548) 12.642 16.704 ( 3.556 3.549 7.555) 9.073 17.114 ( 0.031 0.058 2.506) 2.507 17.471 ( -8.187 -11.956 2.577) 14.718 17.532 ( -5.111 4.564 -10.336) 12.401 17.964 ( -1.861 -2.402 -3.186) 4.403 18.364 ( -2.476 -11.847 -6.224) 13.609 18.547 ( 2.500 -10.262 -4.854) 11.624 18.705 ( 6.018 3.517 14.370) 15.971 18.913 ( 12.698 13.932 1.766) 18.933 19.124 ( -0.152 1.340 4.373) 4.576 19.291 ( -2.523 2.255 -5.471) 6.433 19.525 ( 5.345 0.146 14.076) 15.057 19.922 ( 3.834 3.985 -2.883) 6.237 20.202 ( -0.853 1.217 -0.254) 1.508 21.603 ( -0.920 -0.326 0.353) 1.038 21.643 ( -0.459 1.997 1.445) 2.507 21.740 ( 0.871 -1.285 2.646) 3.067 21.886 ( -4.035 -2.951 -1.328) 5.172 27.777 ( -1.259 -1.796 -0.473) 2.243 27.825 ( 1.478 0.151 -0.964) 1.771 27.863 ( 0.185 0.564 0.740) 0.949 27.946 ( -0.646 1.518 0.062) 1.651 35.718 ( 0.746 -2.597 3.438) 4.373 35.931 ( -5.590 1.196 -2.303) 6.163 36.617 ( 2.779 8.005 1.456) 8.598 37.393 ( 2.785 -8.646 -9.367) 13.048 38.868 ( 1.842 -3.448 -5.754) 6.956 38.958 ( -1.006 -5.451 -8.319) 9.997 40.173 ( 0.547 5.428 8.401) 10.017 40.716 ( 3.481 16.128 3.378) 16.841 ======================= Grid point 70 (25/150) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -3.674 -1.243 -2.739) 4.749 1.029 ( 4.168 1.758 1.626) 4.807 1.347 ( -0.613 5.092 1.697) 5.403 1.463 ( -1.134 -2.941 5.949) 6.732 1.612 ( -2.295 -0.615 2.017) 3.116 1.644 ( -0.861 -2.299 3.771) 4.500 2.262 ( -10.726 0.511 -6.433) 12.518 2.642 ( 4.647 -0.497 1.737) 4.986 2.706 ( -2.142 1.502 4.209) 4.955 3.131 ( 8.403 -3.064 0.805) 8.980 3.912 ( -0.492 3.703 -2.257) 4.365 4.054 ( 13.245 -12.761 8.409) 20.223 4.528 ( 7.173 1.766 9.748) 12.231 4.754 ( -0.964 -5.194 10.465) 11.723 4.957 ( -14.305 11.194 -12.502) 22.051 5.410 ( -3.029 -2.328 -5.954) 7.074 5.516 ( -0.258 -1.352 -0.338) 1.418 5.737 ( 3.430 1.163 -3.010) 4.709 5.914 ( -3.626 1.609 -2.364) 4.618 6.013 ( 8.498 1.833 5.040) 10.049 6.340 ( 18.414 4.388 3.215) 19.201 6.770 ( 7.047 -5.066 3.884) 9.508 6.981 ( -3.942 4.944 2.215) 6.700 7.369 ( 12.710 -12.319 15.276) 23.381 7.599 ( -17.683 6.001 -8.382) 20.468 7.642 ( -11.225 -4.348 -1.608) 12.144 7.841 ( -3.111 4.349 -3.637) 6.467 8.238 ( 1.080 -11.137 1.867) 11.344 8.364 ( -2.466 4.391 1.965) 5.405 8.472 ( -6.114 4.458 -4.886) 9.007 9.124 ( 3.264 -2.408 -6.239) 7.442 9.302 ( -0.676 2.988 -7.656) 8.246 10.257 ( -4.059 -0.372 -4.693) 6.216 10.390 ( 3.711 3.951 -0.085) 5.421 10.573 ( -6.221 -2.591 2.105) 7.061 10.983 ( -6.261 -1.375 -7.167) 9.615 11.216 ( 5.868 0.962 2.003) 6.274 11.432 ( 1.020 2.819 0.772) 3.096 12.167 ( -0.334 -0.167 -1.503) 1.549 12.223 ( 1.980 2.619 -1.560) 3.635 12.441 ( 7.820 -2.126 -2.589) 8.507 12.532 ( -0.335 -4.387 -7.409) 8.617 12.645 ( -7.490 -4.318 2.364) 8.964 12.938 ( 5.108 8.445 5.944) 11.521 13.437 ( -2.781 -3.297 0.958) 4.418 13.800 ( -0.191 3.870 4.251) 5.752 14.106 ( -1.751 0.260 4.100) 4.466 14.270 ( 2.456 -4.610 5.326) 7.460 14.954 ( 5.286 1.206 8.884) 10.408 15.293 ( -1.322 -1.626 0.436) 2.140 15.346 ( 0.219 1.051 -0.504) 1.186 15.598 ( -3.045 3.510 0.849) 4.724 15.941 ( -4.352 -1.902 -3.633) 5.980 16.314 ( 5.940 6.816 -12.600) 15.509 16.807 ( 1.547 1.121 6.500) 6.775 17.188 ( 0.211 -0.738 1.806) 1.962 17.309 ( -3.023 1.609 -3.473) 4.878 17.547 ( -9.209 -9.748 2.095) 13.573 17.962 ( -1.435 -2.641 -1.165) 3.224 18.412 ( -5.377 -12.273 -7.884) 15.546 18.643 ( 1.546 -4.488 -4.923) 6.839 18.788 ( 5.816 4.239 2.646) 7.668 18.887 ( 0.941 5.023 0.801) 5.173 19.149 ( 1.054 -1.223 2.440) 2.926 19.226 ( 1.017 3.209 0.715) 3.441 19.576 ( 0.681 9.671 0.884) 9.735 19.931 ( 2.941 -0.825 2.838) 4.170 20.178 ( 0.648 1.844 0.073) 1.956 21.602 ( -0.655 -0.477 -0.000) 0.811 21.629 ( -0.004 1.457 0.927) 1.727 21.793 ( 0.332 -0.690 2.935) 3.033 21.865 ( -2.002 -1.247 -0.677) 2.454 27.781 ( -1.008 -1.576 -0.805) 2.037 27.832 ( 1.520 0.298 -0.248) 1.568 27.863 ( -0.197 0.771 1.130) 1.382 27.924 ( -0.356 0.734 -0.429) 0.922 35.753 ( -1.155 0.314 0.664) 1.369 35.883 ( -0.634 -0.707 -0.201) 0.971 36.551 ( -3.668 2.024 1.148) 4.344 37.449 ( 3.120 -5.367 -2.696) 6.768 38.888 ( 1.248 -2.594 -2.996) 4.155 38.954 ( -1.314 -9.797 -10.273) 14.257 40.147 ( 1.567 9.561 3.615) 10.341 40.576 ( 1.799 12.560 1.446) 12.770 ======================= Grid point 71 (26/150) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -5.578 -3.220 -5.924) 8.751 1.056 ( 3.826 3.459 2.025) 5.541 1.297 ( 0.454 4.423 1.139) 4.590 1.502 ( -2.857 1.555 2.737) 4.251 1.576 ( -5.334 0.574 2.503) 5.920 1.684 ( 0.414 1.495 2.390) 2.849 2.163 ( -2.535 -5.462 -5.651) 8.258 2.660 ( -4.278 -1.480 0.661) 4.575 2.778 ( 10.013 5.737 8.468) 14.313 3.138 ( -2.575 4.823 -5.200) 7.545 3.767 ( 0.259 7.687 -12.412) 14.602 4.114 ( -15.795 5.907 -3.193) 17.163 4.423 ( -2.106 6.670 -8.267) 10.829 4.682 ( -10.002 4.606 -0.733) 11.036 5.011 ( 2.379 -8.005 6.173) 10.384 5.203 ( -15.482 1.194 -22.990) 27.743 5.513 ( -5.024 -0.012 -11.678) 12.713 5.677 ( 6.952 -4.434 10.124) 13.057 5.863 ( 1.085 0.605 3.474) 3.689 6.187 ( 11.901 4.270 8.356) 15.155 6.341 ( -16.110 11.820 -7.501) 21.343 6.642 ( 3.324 0.113 -3.632) 4.925 6.876 ( -7.793 5.878 2.618) 10.106 7.426 ( -14.449 4.117 -2.747) 15.273 7.467 ( 15.251 -8.861 -3.230) 17.932 7.778 ( 1.523 -0.156 -4.169) 4.441 7.998 ( 9.035 -0.400 12.896) 15.751 8.320 ( -3.556 -2.876 1.352) 4.769 8.520 ( 9.352 -6.743 13.040) 17.406 8.551 ( 7.190 -12.653 20.157) 24.862 9.122 ( 6.104 -1.031 -6.773) 9.176 9.287 ( 5.162 -3.904 -1.594) 6.665 10.210 ( -0.720 -2.031 -2.740) 3.486 10.441 ( 6.360 -0.519 3.764) 7.409 10.612 ( -4.501 -5.479 5.868) 9.204 10.902 ( -4.469 -5.964 -7.566) 10.620 11.294 ( 5.669 1.832 4.420) 7.418 11.420 ( 2.319 2.672 1.415) 3.811 12.113 ( -2.473 0.432 -5.058) 5.647 12.223 ( 3.270 1.028 -0.713) 3.501 12.442 ( -0.132 -0.820 -7.409) 7.455 12.568 ( 3.004 -2.232 -1.936) 4.213 12.643 ( -7.093 -6.325 -0.897) 9.546 12.943 ( 5.292 8.557 7.240) 12.395 13.460 ( -2.234 -2.369 1.458) 3.567 13.753 ( -1.171 6.506 3.020) 7.268 14.136 ( 0.076 0.549 5.309) 5.338 14.325 ( 0.178 5.814 1.720) 6.066 14.848 ( -9.824 3.603 -7.045) 12.615 15.324 ( -2.044 3.933 1.784) 4.778 15.394 ( 10.280 5.740 4.260) 12.520 15.623 ( 0.176 -8.396 7.111) 11.004 15.983 ( 2.508 -4.985 3.443) 6.557 16.256 ( 8.221 -3.935 -9.775) 13.364 16.790 ( -3.622 5.180 1.253) 6.444 17.048 ( -2.970 3.753 -5.022) 6.938 17.503 ( 3.676 -9.538 11.634) 15.487 17.569 ( -8.526 -5.458 1.695) 10.264 17.977 ( -1.512 -3.002 0.161) 3.365 18.413 ( -8.263 -13.809 -12.825) 20.578 18.624 ( 1.482 2.663 -1.192) 3.272 18.712 ( -0.620 6.794 -7.598) 10.211 18.868 ( -1.460 0.398 1.228) 1.949 19.171 ( -2.008 -0.777 -0.744) 2.278 19.215 ( 0.972 5.703 -2.307) 6.228 19.409 ( -0.352 6.761 -2.983) 7.398 19.992 ( 0.220 -0.791 1.527) 1.734 20.177 ( 3.376 3.619 2.899) 5.736 21.602 ( -0.254 -0.307 -0.153) 0.427 21.622 ( -0.256 0.665 0.750) 1.034 21.788 ( -2.844 0.637 0.134) 2.918 21.898 ( 2.120 -0.877 3.455) 4.147 27.782 ( 0.305 -0.331 -0.845) 0.958 27.842 ( 1.161 0.283 0.224) 1.215 27.864 ( -0.730 0.199 1.585) 1.756 27.911 ( -0.216 -0.094 -0.771) 0.806 35.733 ( 1.252 1.961 -0.850) 2.477 35.883 ( 0.884 1.506 0.030) 1.747 36.530 ( -8.637 -6.702 1.740) 11.070 37.573 ( 5.420 -5.709 4.396) 9.016 38.894 ( -1.734 -4.993 -5.195) 7.411 38.985 ( -0.370 -9.194 -7.920) 12.141 40.018 ( 2.781 14.131 -2.845) 14.681 40.456 ( 3.737 9.601 -2.354) 10.569 ======================= Grid point 72 (27/150) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -6.268 -5.199 -8.448) 11.734 1.056 ( 2.950 5.149 1.822) 6.208 1.245 ( -1.542 7.449 0.673) 7.637 1.367 ( -7.663 6.431 -2.368) 10.280 1.580 ( -2.458 -0.948 3.626) 4.482 1.651 ( -0.839 7.433 3.269) 8.164 2.229 ( 6.077 -7.920 -5.498) 11.397 2.601 ( -2.707 3.154 -2.169) 4.688 2.770 ( -18.002 6.450 -7.162) 20.420 3.009 ( 12.282 9.049 7.325) 16.923 3.338 ( -21.890 8.728 -20.918) 31.510 3.857 ( -1.238 8.892 -11.021) 14.215 4.261 ( -2.030 5.010 -8.761) 10.294 4.347 ( -23.323 17.948 -7.160) 30.288 4.790 ( -9.126 3.341 -1.020) 9.771 5.023 ( -8.197 -4.368 -7.152) 11.723 5.431 ( -5.959 1.772 -9.564) 11.407 5.738 ( -7.191 10.167 -5.819) 13.746 5.836 ( -7.180 9.867 10.621) 16.177 6.035 ( -1.924 -9.689 3.865) 10.608 6.307 ( 7.296 5.781 4.923) 10.530 6.757 ( 4.253 3.821 2.117) 6.097 6.927 ( 0.563 -14.577 12.233) 19.038 7.217 ( -3.774 3.278 -6.439) 8.151 7.743 ( 15.462 -11.162 -5.308) 19.795 7.862 ( 7.175 -8.514 1.370) 11.218 8.007 ( -1.216 6.605 -0.714) 6.754 8.417 ( 2.642 -8.760 4.954) 10.405 8.731 ( 0.636 -7.052 3.753) 8.014 9.017 ( 11.117 -4.537 8.079) 14.471 9.278 ( 12.953 -2.999 16.606) 21.272 9.440 ( 8.819 -7.252 0.064) 11.418 10.225 ( 1.604 -2.173 -1.605) 3.142 10.584 ( 5.966 -1.864 6.053) 8.701 10.700 ( -3.180 -4.232 4.825) 7.162 10.911 ( -2.970 -12.775 -6.239) 14.524 11.333 ( 1.183 2.806 1.428) 3.363 11.490 ( 8.391 0.763 6.542) 10.667 12.016 ( -3.275 1.219 -5.626) 6.623 12.247 ( 4.412 0.021 -1.158) 4.561 12.345 ( -1.198 2.059 -9.575) 9.867 12.557 ( -4.744 1.134 0.177) 4.881 12.650 ( -6.912 -8.903 -3.225) 11.723 12.967 ( 5.535 7.936 7.446) 12.209 13.487 ( -1.120 -1.221 3.791) 4.137 13.669 ( -1.194 6.880 0.312) 6.990 14.125 ( -7.712 9.228 -0.369) 12.032 14.235 ( 5.681 4.246 5.907) 9.230 14.631 ( -7.630 6.317 -7.969) 12.713 15.216 ( -4.421 -1.940 -5.248) 7.131 15.508 ( 10.368 3.721 13.246) 17.228 15.873 ( 5.644 -5.352 9.728) 12.455 16.173 ( 9.623 -6.374 6.488) 13.241 16.370 ( 2.877 -13.283 -6.370) 15.010 16.667 ( -2.976 6.415 0.573) 7.095 16.969 ( -1.481 0.856 -1.540) 2.302 17.547 ( -7.104 -1.956 1.420) 7.504 17.730 ( 1.309 -4.620 5.887) 7.597 18.026 ( -1.790 -5.488 2.245) 6.193 18.337 ( -9.919 -12.768 -18.903) 24.874 18.530 ( -1.824 7.800 -5.111) 9.502 18.612 ( 1.506 1.598 1.689) 2.770 18.817 ( -1.360 5.810 0.257) 5.973 18.960 ( -4.619 11.720 -12.486) 17.737 19.157 ( -4.682 -4.701 -2.726) 7.173 19.382 ( -0.110 0.215 -0.887) 0.919 19.988 ( 0.359 1.189 -1.611) 2.034 20.199 ( 3.101 4.093 4.156) 6.606 21.601 ( 0.202 0.219 0.002) 0.298 21.622 ( -0.944 -0.620 0.775) 1.369 21.747 ( -2.603 0.743 -0.033) 2.707 21.977 ( 2.624 -0.198 5.876) 6.438 27.780 ( 1.348 0.813 -0.587) 1.679 27.852 ( 1.264 1.045 0.398) 1.688 27.870 ( -1.471 -0.415 1.653) 2.251 27.908 ( -0.308 -1.247 -0.778) 1.502 35.698 ( 3.221 6.292 -0.909) 7.126 35.894 ( 1.885 -2.250 0.230) 2.944 36.550 ( -13.626 -11.663 0.183) 17.936 37.807 ( 9.763 -6.061 11.075) 15.959 38.874 ( -4.574 -9.457 -12.848) 16.596 39.030 ( 0.113 -5.970 -3.016) 6.690 39.781 ( 4.017 18.132 -9.875) 21.033 40.347 ( 7.298 9.503 -6.776) 13.765 ======================= Grid point 73 (28/150) ======================= q-point: (-0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -7.469 -5.406 -11.161) 14.477 0.923 ( -10.526 21.050 -3.279) 23.763 1.029 ( -0.499 7.389 2.897) 7.952 1.254 ( -4.685 7.186 1.775) 8.760 1.523 ( -2.021 10.747 3.658) 11.531 1.607 ( -2.537 -0.161 3.261) 4.135 2.004 ( -39.135 22.263 -27.263) 52.635 2.287 ( 2.891 4.296 -12.636) 13.656 2.629 ( 7.331 -5.371 3.393) 9.700 2.943 ( -11.562 3.054 -2.037) 12.130 3.170 ( 10.108 3.148 8.334) 13.474 3.516 ( -8.322 15.732 -2.043) 17.915 3.935 ( -9.397 16.203 7.193) 20.065 4.085 ( -1.993 5.344 -5.771) 8.114 4.812 ( -4.000 -4.114 2.728) 6.354 4.945 ( -4.484 -8.443 -5.830) 11.197 5.150 ( -10.833 6.163 -6.490) 14.051 5.500 ( -6.206 5.697 -8.509) 11.974 5.734 ( -8.383 6.049 9.205) 13.842 6.149 ( -1.645 -3.309 -1.975) 4.190 6.287 ( 0.426 6.261 3.612) 7.241 6.806 ( 3.140 0.854 5.433) 6.333 7.107 ( 0.704 0.037 -3.667) 3.734 7.296 ( 5.092 -14.013 6.289) 16.182 7.863 ( -1.772 6.475 -3.534) 7.587 8.009 ( 11.447 -12.865 -3.328) 17.539 8.124 ( 5.680 -13.628 3.277) 15.123 8.627 ( 5.439 -8.529 2.340) 10.382 8.803 ( -0.740 -2.131 -0.031) 2.256 9.235 ( 10.200 -5.761 2.887) 12.065 9.531 ( 4.351 -3.154 4.040) 6.723 9.641 ( 8.972 -1.662 5.373) 10.589 10.264 ( 3.272 -2.117 -1.561) 4.198 10.690 ( -3.265 -1.589 4.214) 5.563 10.731 ( 2.176 0.023 1.727) 2.778 11.030 ( -2.360 -14.532 -6.040) 15.913 11.300 ( -0.273 3.133 -0.502) 3.185 11.655 ( 8.882 0.080 7.028) 11.327 11.922 ( -1.891 1.061 -3.848) 4.417 12.176 ( -2.125 4.758 -12.283) 13.343 12.298 ( 6.146 -0.659 -0.936) 6.252 12.461 ( -7.637 2.213 2.034) 8.207 12.669 ( -7.930 -9.114 -1.332) 12.154 12.981 ( 3.168 6.743 5.186) 9.077 13.548 ( -0.574 3.094 6.567) 7.282 13.565 ( 0.161 1.944 -1.205) 2.293 13.896 ( -6.212 11.008 0.930) 12.674 14.319 ( -11.019 -3.475 1.031) 11.600 14.369 ( 8.452 14.436 -1.918) 16.838 15.250 ( -3.504 -13.771 0.176) 14.211 15.821 ( 15.475 -2.618 23.467) 28.232 16.018 ( 9.268 6.556 8.522) 14.195 16.374 ( -8.083 -1.795 -0.252) 8.284 16.473 ( 10.649 -10.592 -1.611) 15.106 16.705 ( 2.780 -9.591 2.901) 10.398 16.941 ( -0.616 0.475 -1.344) 1.553 17.505 ( -5.596 -1.031 0.002) 5.690 17.747 ( 1.326 5.827 -1.306) 6.117 18.023 ( -11.568 -7.040 -13.342) 19.010 18.234 ( -5.179 -8.067 -10.625) 14.311 18.389 ( 3.296 10.416 -0.102) 10.925 18.612 ( -0.699 7.570 -4.324) 8.746 18.674 ( -5.625 -0.778 -4.053) 6.976 18.703 ( -3.115 6.852 -1.123) 7.610 19.155 ( -4.193 -4.491 0.074) 6.145 19.328 ( -0.770 1.474 -6.617) 6.822 19.951 ( 0.177 2.102 -1.468) 2.570 20.212 ( 2.190 3.501 2.800) 4.989 21.601 ( 0.244 0.346 0.277) 0.506 21.631 ( -1.152 -1.217 0.675) 1.807 21.723 ( -2.733 -0.941 1.457) 3.237 22.078 ( 2.307 -0.791 8.396) 8.743 27.780 ( 1.628 1.026 -0.202) 1.935 27.844 ( 1.001 1.930 -0.357) 2.204 27.874 ( -1.678 -0.487 1.392) 2.234 27.922 ( -0.364 -1.856 -0.146) 1.897 35.630 ( 2.688 6.446 -1.144) 7.077 35.988 ( 3.221 -5.284 1.865) 6.463 36.512 ( -19.736 -11.940 -4.883) 23.577 38.154 ( 19.136 -5.388 8.885) 21.775 38.745 ( -6.824 -6.539 -26.048) 27.709 39.085 ( 0.081 -4.095 -0.243) 4.103 39.438 ( 5.428 25.022 -9.517) 27.315 40.227 ( 10.847 12.080 -8.223) 18.199 ======================= Grid point 74 (29/150) ======================= q-point: (-0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 0.350 5.791 7.813) 9.732 0.530 ( -10.881 17.147 11.053) 23.121 0.903 ( -10.925 25.282 9.877) 29.260 1.038 ( -7.569 8.150 1.454) 11.217 1.201 ( -1.048 24.862 29.953) 38.941 1.485 ( -1.683 -0.235 2.444) 2.976 1.616 ( -2.477 0.142 3.117) 3.984 2.107 ( 5.104 13.290 -5.670) 15.323 2.864 ( 3.454 -7.224 6.831) 10.525 2.971 ( 4.576 -7.916 3.715) 9.870 3.254 ( -3.575 -1.757 2.044) 4.478 3.329 ( -6.308 3.696 0.296) 7.317 3.736 ( -4.329 12.605 4.375) 14.027 4.006 ( 0.505 3.476 4.118) 5.412 4.772 ( -3.961 -2.982 -6.966) 8.550 4.976 ( -0.833 1.561 3.471) 3.896 4.998 ( -2.693 2.229 2.176) 4.118 5.422 ( 0.215 -10.459 -5.812) 11.967 5.686 ( -5.800 1.301 6.947) 9.143 6.018 ( 0.617 15.366 1.049) 15.414 6.297 ( -3.917 -5.804 -0.685) 7.035 6.831 ( -6.364 -1.227 -2.562) 6.969 7.105 ( 3.231 -0.995 -2.848) 4.421 7.526 ( 4.990 -7.201 1.683) 8.921 7.746 ( -2.644 1.846 -2.253) 3.933 8.228 ( 6.801 -5.842 -3.869) 9.765 8.310 ( -6.242 -12.417 -5.648) 15.002 8.770 ( 2.867 -2.740 1.187) 4.140 8.814 ( -1.377 -3.018 0.224) 3.325 9.362 ( 3.427 -2.894 -8.128) 9.284 9.545 ( -2.262 0.351 -8.449) 8.754 9.756 ( 3.549 -0.042 3.914) 5.284 10.320 ( 4.153 -1.881 -0.999) 4.667 10.664 ( -5.011 0.041 2.328) 5.526 10.783 ( 0.563 -0.084 2.013) 2.092 11.107 ( 6.781 -6.722 1.342) 9.642 11.238 ( -0.824 2.118 -2.840) 3.637 11.781 ( 0.303 -0.421 2.007) 2.073 11.867 ( -0.462 0.311 -3.687) 3.729 11.970 ( 3.529 6.657 -6.380) 9.873 12.370 ( 5.926 -0.525 -0.263) 5.955 12.474 ( 1.880 -0.695 11.251) 11.428 12.686 ( -5.722 -5.977 0.066) 8.275 12.962 ( -1.700 3.369 3.945) 5.459 13.487 ( 0.011 2.573 0.504) 2.621 13.622 ( 0.305 0.405 2.147) 2.206 13.734 ( -1.942 10.025 3.384) 10.758 14.199 ( -8.142 -8.345 3.661) 12.220 14.392 ( 0.417 3.047 3.150) 4.402 15.457 ( -9.900 -22.240 -3.254) 24.560 16.012 ( 4.180 5.908 2.475) 7.649 16.082 ( -15.004 3.483 -20.570) 25.697 16.410 ( -22.587 -8.558 -14.030) 27.932 16.686 ( 7.560 -13.065 -8.394) 17.272 16.782 ( 1.658 -6.912 2.023) 7.391 17.135 ( 25.194 -3.566 35.672) 43.817 17.414 ( -4.474 2.100 -11.589) 12.599 17.633 ( 8.950 13.482 0.003) 16.183 17.832 ( 2.997 0.109 6.477) 7.137 18.137 ( 1.813 7.002 -0.600) 7.258 18.303 ( 2.111 8.046 -0.729) 8.350 18.481 ( -2.790 -0.335 -0.225) 2.820 18.579 ( -0.123 6.617 2.325) 7.014 18.670 ( -0.968 -1.240 -1.243) 2.005 19.193 ( -1.968 -2.108 3.596) 4.609 19.257 ( 5.236 3.803 1.622) 6.672 19.919 ( 0.393 1.418 -0.257) 1.493 20.203 ( 0.356 2.174 0.035) 2.204 21.603 ( -0.055 0.144 0.575) 0.595 21.638 ( -0.187 -0.216 0.197) 0.347 21.756 ( -3.653 -5.974 2.998) 7.618 22.194 ( -5.370 -6.326 1.627) 8.456 27.779 ( 1.061 0.934 -0.870) 1.660 27.823 ( 0.546 1.246 -0.897) 1.630 27.872 ( -1.453 -0.099 0.585) 1.569 27.943 ( 0.338 -1.051 1.379) 1.767 35.576 ( 1.671 3.313 -1.579) 4.032 36.108 ( 1.166 -4.843 2.442) 5.547 36.328 ( -18.816 -2.267 -4.848) 19.562 37.744 ( 5.351 48.710 -62.179) 79.167 38.900 ( 11.607 -9.911 11.736) 19.253 39.108 ( -0.221 -0.877 -3.101) 3.230 39.352 ( 32.648 7.470 39.547) 51.824 40.131 ( 15.214 15.014 -0.696) 21.386 ======================= Grid point 76 (30/150) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -5.100 -0.000 -3.113) 5.975 1.011 ( 7.847 0.000 3.145) 8.454 1.254 ( 5.914 0.000 8.065) 10.001 1.262 ( 4.614 0.000 16.641) 17.269 1.514 ( 0.060 0.000 1.309) 1.310 1.642 ( -1.915 -0.000 4.820) 5.186 2.475 ( 3.172 0.000 11.974) 12.387 2.523 ( -4.202 -0.000 -2.090) 4.693 2.620 ( -9.708 -0.000 -3.483) 10.314 2.977 ( 5.653 0.000 1.773) 5.925 3.485 ( 9.798 0.000 12.859) 16.166 3.758 ( 6.254 0.000 8.031) 10.179 4.306 ( 8.307 0.000 2.210) 8.596 4.775 ( -1.347 -0.000 7.493) 7.613 4.848 ( 43.756 0.000 54.837) 70.155 5.345 ( 0.889 0.000 5.985) 6.050 5.489 ( 1.643 0.000 -3.431) 3.804 5.529 ( 13.190 0.000 19.815) 23.804 5.671 ( 4.986 0.000 9.137) 10.409 6.194 ( 0.268 0.000 -20.113) 20.115 6.211 ( 6.658 0.000 -6.626) 9.393 6.407 ( 7.474 0.000 17.796) 19.302 7.151 ( 0.805 0.000 -3.534) 3.625 7.416 ( -17.578 -0.000 -0.366) 17.582 7.647 ( -5.935 -0.000 -13.363) 14.622 7.798 ( -3.469 -0.000 -16.857) 17.210 7.902 ( -6.888 -0.000 -7.938) 10.510 8.376 ( -24.908 -0.000 -20.146) 32.035 8.702 ( -17.152 -0.000 -7.519) 18.728 8.724 ( 0.424 0.000 -10.728) 10.737 9.059 ( 5.319 0.000 -0.479) 5.341 9.552 ( -3.911 -0.000 -11.844) 12.473 10.414 ( -2.807 -0.000 5.532) 6.203 10.418 ( -8.332 -0.000 -9.294) 12.482 10.688 ( 0.442 0.000 -4.213) 4.236 11.137 ( 7.709 0.000 -2.788) 8.198 11.173 ( -11.286 -0.000 -9.429) 14.706 11.542 ( 4.218 0.000 -2.638) 4.976 12.183 ( -3.123 -0.000 -3.008) 4.336 12.343 ( 10.720 0.000 -3.498) 11.276 12.375 ( 3.716 0.000 3.051) 4.808 12.453 ( -7.977 -0.000 -3.043) 8.537 12.619 ( -17.621 -0.000 1.367) 17.674 13.012 ( 11.753 0.000 7.212) 13.789 13.470 ( -0.809 -0.000 0.317) 0.869 13.570 ( 8.124 0.000 0.938) 8.178 13.991 ( 0.069 0.000 12.858) 12.858 14.141 ( -4.032 -0.000 3.964) 5.654 14.705 ( 9.175 0.000 18.290) 20.462 15.011 ( 9.658 0.000 15.407) 18.184 15.491 ( -6.843 -0.000 -8.946) 11.263 15.692 ( -11.188 -0.000 -0.740) 11.213 16.391 ( -5.719 -0.000 -10.479) 11.938 16.437 ( 7.218 0.000 -4.448) 8.479 16.876 ( -7.476 -0.000 -6.746) 10.070 17.017 ( 3.589 0.000 4.420) 5.693 17.365 ( 0.048 0.000 1.979) 1.979 17.510 ( -2.327 -0.000 -5.045) 5.556 17.904 ( -4.335 -0.000 -10.425) 11.290 18.215 ( -3.388 -0.000 -2.843) 4.423 18.385 ( 1.454 0.000 -5.932) 6.108 18.751 ( 7.846 0.000 17.829) 19.479 19.143 ( -2.432 -0.000 2.565) 3.535 19.155 ( 1.766 0.000 -14.252) 14.361 19.396 ( 0.987 0.000 4.110) 4.227 19.416 ( 8.541 0.000 14.861) 17.140 20.009 ( 3.971 0.000 0.911) 4.074 20.252 ( 2.089 0.000 -4.085) 4.588 21.600 ( -1.260 -0.000 0.733) 1.457 21.702 ( 2.094 0.000 2.009) 2.902 21.703 ( -4.973 -0.000 3.387) 6.017 21.810 ( -0.805 -0.000 -0.127) 0.815 27.751 ( -1.351 -0.000 -0.600) 1.478 27.821 ( 1.208 0.000 -0.838) 1.471 27.875 ( 1.051 0.000 0.652) 1.237 27.973 ( -1.161 -0.000 -0.289) 1.197 35.674 ( 0.778 0.000 5.263) 5.320 35.938 ( -10.249 -0.000 -3.860) 10.952 36.830 ( 6.248 0.000 -7.622) 9.856 37.158 ( 6.541 0.000 -2.432) 6.978 38.794 ( -0.374 -0.000 -8.343) 8.351 38.900 ( 0.095 0.000 -7.892) 7.893 40.242 ( -0.200 -0.000 9.565) 9.568 41.014 ( 0.808 0.000 -0.711) 1.076 ======================= Grid point 77 (31/150) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -4.747 -0.983 -4.353) 6.516 1.095 ( 6.314 2.333 2.845) 7.308 1.378 ( 2.930 -2.987 2.838) 5.056 1.420 ( -5.445 -2.103 9.552) 11.195 1.526 ( 3.739 0.850 1.848) 4.257 1.670 ( -1.212 1.245 5.557) 5.822 2.248 ( -17.435 -1.056 -10.606) 20.435 2.550 ( -4.067 -2.123 5.437) 7.114 2.761 ( 9.666 -0.742 8.150) 12.665 3.107 ( 13.005 0.884 0.526) 13.046 3.782 ( 13.842 -5.219 14.478) 20.699 3.944 ( 6.165 -0.870 9.618) 11.457 4.477 ( 10.691 -2.401 11.535) 15.910 4.776 ( -4.596 3.089 5.452) 7.771 5.129 ( -9.879 -0.436 -19.911) 22.231 5.401 ( -3.640 2.234 4.374) 6.114 5.480 ( 1.594 -0.952 -0.917) 2.071 5.766 ( 6.740 -1.330 2.829) 7.430 5.986 ( 10.383 11.414 -5.536) 16.393 6.178 ( 15.376 7.984 21.409) 27.541 6.371 ( 18.492 -10.434 8.458) 22.855 6.747 ( 8.226 -4.179 10.487) 13.968 6.972 ( -1.028 4.579 1.149) 4.831 7.198 ( -2.202 2.265 -1.808) 3.640 7.499 ( -10.241 -4.303 -2.292) 11.342 7.675 ( -3.849 0.219 -8.117) 8.986 7.872 ( -5.535 -12.026 -1.670) 13.343 7.931 ( -18.891 -0.790 -16.176) 24.883 8.438 ( -14.515 1.401 -3.929) 15.102 8.612 ( -2.884 4.772 -6.730) 8.740 9.113 ( 6.103 0.402 -2.872) 6.757 9.386 ( -1.682 2.235 -11.926) 12.249 10.255 ( -5.807 0.117 -7.223) 9.268 10.445 ( -3.390 -0.714 5.830) 6.782 10.580 ( -2.304 2.859 -9.627) 10.304 10.980 ( -9.145 0.458 -5.866) 10.875 11.218 ( 8.284 -0.592 0.220) 8.308 11.528 ( 0.638 3.440 0.573) 3.545 12.112 ( -3.970 -2.432 -4.371) 6.386 12.317 ( -3.384 3.163 -0.726) 4.689 12.393 ( 7.583 -0.443 -5.810) 9.563 12.457 ( -5.000 -1.081 -1.666) 5.380 12.524 ( -4.623 -5.102 4.107) 8.017 13.174 ( 12.016 6.456 7.489) 15.561 13.430 ( 0.655 4.182 1.020) 4.355 13.765 ( 8.432 -7.756 2.168) 11.660 14.101 ( -2.016 0.121 10.599) 10.790 14.166 ( -0.709 -1.069 6.283) 6.413 15.001 ( 12.683 1.796 15.882) 20.404 15.220 ( -3.063 -2.090 6.518) 7.499 15.354 ( 2.063 0.366 -1.737) 2.722 15.601 ( -9.644 -3.961 -0.239) 10.429 16.101 ( -5.839 14.378 -9.177) 18.029 16.444 ( 3.477 -3.890 -14.048) 14.986 16.840 ( 0.351 -0.292 6.770) 6.785 17.111 ( 1.015 -3.324 3.808) 5.156 17.318 ( -4.724 1.090 -0.803) 4.914 17.420 ( -4.585 2.145 -9.957) 11.170 17.817 ( -2.059 -7.030 -6.946) 10.095 18.195 ( -3.356 -3.496 -0.949) 4.939 18.389 ( 1.341 -8.008 -6.189) 10.209 18.912 ( -3.920 2.227 -2.757) 5.285 19.011 ( 2.794 3.446 0.783) 4.505 19.114 ( -1.971 -1.983 0.938) 2.949 19.407 ( 4.229 8.405 4.962) 10.637 19.672 ( 3.075 -3.606 11.426) 12.369 20.027 ( 6.136 6.639 -1.252) 9.126 20.217 ( 1.428 0.733 -1.897) 2.485 21.594 ( -0.993 -0.085 0.464) 1.100 21.678 ( -1.254 1.947 1.975) 3.043 21.761 ( 1.324 -1.405 3.220) 3.755 21.813 ( -1.312 -1.977 -0.732) 2.483 27.738 ( -1.238 -1.097 -0.659) 1.781 27.826 ( 0.721 -0.323 -0.668) 1.035 27.891 ( 1.064 0.772 1.261) 1.821 27.948 ( -1.162 0.726 -0.790) 1.582 35.740 ( -1.928 -0.148 4.787) 5.163 35.811 ( -6.979 -3.234 -2.013) 7.951 36.723 ( 0.160 7.847 -6.246) 10.030 37.253 ( 3.743 -7.751 -4.133) 9.548 38.735 ( -0.592 -4.553 -8.797) 9.923 38.840 ( -0.004 -1.331 -6.382) 6.519 40.313 ( 0.924 2.950 7.784) 8.376 40.930 ( -2.222 9.876 1.705) 10.265 ======================= Grid point 78 (32/150) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -5.164 -1.207 -5.923) 7.950 1.147 ( 4.949 3.111 2.694) 6.436 1.408 ( -0.281 2.424 0.961) 2.623 1.446 ( -6.729 -3.613 4.665) 8.949 1.602 ( 3.006 -2.526 0.438) 3.951 1.683 ( -1.913 2.761 6.418) 7.244 2.039 ( -9.834 -3.522 -7.367) 12.782 2.597 ( -1.742 -2.190 5.407) 6.088 2.928 ( 10.302 3.904 7.126) 13.121 3.197 ( 5.888 0.692 -1.601) 6.141 3.940 ( 2.588 3.497 -2.684) 5.112 4.167 ( 6.460 -0.698 8.859) 10.986 4.612 ( -13.388 5.425 -16.813) 22.166 4.734 ( -8.477 -3.627 -4.137) 10.106 4.857 ( 9.950 -0.812 11.896) 15.530 5.284 ( -7.532 6.886 -1.890) 10.379 5.555 ( 0.114 0.809 -0.232) 0.849 5.640 ( -0.624 4.667 -8.862) 10.035 6.016 ( 4.871 8.724 0.428) 10.000 6.151 ( 9.511 -0.725 0.677) 9.562 6.534 ( -2.193 3.707 -8.984) 9.963 6.696 ( 8.932 -1.016 -10.918) 14.143 7.146 ( -0.212 4.274 12.846) 13.540 7.315 ( -11.376 0.895 -7.880) 13.867 7.381 ( -14.233 -3.667 2.231) 14.866 7.794 ( -1.528 -2.956 -3.671) 4.954 7.825 ( 15.974 -10.537 23.028) 29.941 8.054 ( 0.337 -14.205 6.033) 15.436 8.380 ( 3.837 -3.850 12.801) 13.907 8.418 ( -5.887 5.476 -4.419) 9.174 9.101 ( 3.872 -0.117 -9.045) 9.840 9.261 ( 1.509 0.792 -7.198) 7.397 10.159 ( -2.535 -1.612 -4.247) 5.201 10.454 ( 1.655 1.121 -2.901) 3.523 10.494 ( -4.089 -2.833 4.208) 6.515 10.848 ( -5.657 0.769 -3.485) 6.689 11.320 ( 7.283 -0.122 2.057) 7.569 11.506 ( 0.812 3.403 3.447) 4.911 12.069 ( -2.974 -3.293 -5.776) 7.284 12.256 ( -0.793 1.029 -1.747) 2.177 12.379 ( -4.804 -2.476 -4.159) 6.820 12.443 ( 1.876 -4.241 -2.735) 5.383 12.606 ( 2.493 -0.048 4.557) 5.194 13.238 ( 10.214 12.237 6.964) 17.394 13.419 ( 1.585 0.211 0.575) 1.700 13.892 ( 2.793 1.708 1.896) 3.783 14.141 ( -1.326 0.151 4.112) 4.323 14.300 ( 1.428 -5.164 8.214) 9.807 14.966 ( -10.920 4.431 -6.850) 13.631 15.369 ( 2.516 -3.518 3.816) 5.767 15.456 ( 10.085 2.082 13.897) 17.296 15.566 ( -5.031 1.092 1.683) 5.416 15.844 ( -1.639 3.366 -3.480) 5.112 16.370 ( 7.498 2.896 -12.627) 14.968 16.907 ( -1.455 2.415 6.237) 6.845 17.151 ( -5.548 2.632 -6.189) 8.718 17.264 ( 1.128 -7.787 1.633) 8.036 17.314 ( -7.556 -6.036 1.395) 9.771 17.838 ( -2.460 -6.831 -5.035) 8.835 18.183 ( -4.947 -3.909 -3.029) 6.995 18.493 ( 2.808 -11.288 -5.592) 12.906 18.750 ( -5.415 -1.271 -11.444) 12.724 18.926 ( -5.569 3.865 -2.508) 7.228 19.213 ( 1.092 1.003 7.286) 7.436 19.375 ( 4.824 7.589 2.883) 9.443 19.717 ( -1.957 9.272 1.539) 9.600 19.987 ( 5.911 3.356 -1.538) 6.969 20.252 ( 3.809 1.213 3.673) 5.429 21.591 ( -0.671 -0.238 0.186) 0.736 21.660 ( -0.428 1.839 1.245) 2.262 21.792 ( -2.321 -0.358 0.659) 2.439 21.849 ( 1.982 -2.462 2.316) 3.918 27.741 ( -0.779 -1.868 -0.563) 2.101 27.833 ( 0.218 -0.649 -0.264) 0.734 27.898 ( 0.523 1.516 1.192) 1.998 27.922 ( -0.361 0.589 -0.681) 0.970 35.691 ( -5.132 -3.237 -3.347) 6.930 35.879 ( -0.482 -2.508 7.635) 8.051 36.540 ( -4.399 6.449 -6.137) 9.930 37.363 ( 2.799 -9.291 -2.142) 9.938 38.709 ( -2.387 -6.857 -10.233) 12.547 38.823 ( 0.584 -3.412 -3.340) 4.810 40.324 ( 2.817 7.423 3.782) 8.795 40.773 ( -1.187 12.679 1.351) 12.806 ======================= Grid point 79 (33/150) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -5.472 -1.456 -7.555) 9.441 1.171 ( 3.473 3.717 2.099) 5.503 1.366 ( 0.074 3.834 -0.366) 3.852 1.482 ( -5.305 -6.040 4.156) 9.050 1.601 ( -0.491 6.125 0.722) 6.187 1.713 ( -0.469 -0.833 4.264) 4.369 1.987 ( -2.423 -6.873 -4.358) 8.491 2.661 ( 1.259 0.505 4.384) 4.589 2.980 ( 2.215 7.973 1.117) 8.350 3.194 ( 2.542 3.517 1.596) 4.624 3.730 ( -13.651 16.318 -19.977) 29.184 3.994 ( -6.018 2.322 -2.778) 7.023 4.360 ( -1.946 6.140 -13.828) 15.255 4.598 ( -6.791 0.530 -5.202) 8.571 4.979 ( -7.631 7.506 -1.574) 10.819 5.084 ( -1.954 9.742 -1.540) 10.055 5.391 ( 6.636 -1.580 -6.957) 9.743 5.803 ( 5.873 1.306 7.864) 9.901 5.999 ( 2.043 2.689 10.812) 11.327 6.218 ( -5.040 2.728 -8.886) 10.574 6.394 ( -0.698 2.126 3.317) 4.001 6.678 ( 2.257 3.750 -0.573) 4.415 6.929 ( -4.115 7.655 2.500) 9.043 7.250 ( -13.616 -1.206 0.774) 13.691 7.450 ( 7.487 -9.438 -5.421) 13.211 7.764 ( 1.673 1.733 -3.133) 3.952 8.069 ( -0.682 -10.559 -1.083) 10.637 8.162 ( -2.723 -4.079 -2.541) 5.523 8.423 ( -1.139 -12.474 6.824) 14.264 8.864 ( 10.563 -5.436 12.915) 17.548 9.162 ( 14.020 -6.095 9.927) 18.228 9.275 ( 4.079 -4.469 -1.484) 6.230 10.152 ( -0.534 -3.310 -2.259) 4.043 10.508 ( 5.382 -4.017 2.407) 7.134 10.556 ( -1.937 -2.856 6.502) 7.361 10.770 ( -3.093 -0.385 -2.460) 3.971 11.402 ( 4.416 1.308 2.116) 5.068 11.538 ( 5.284 2.778 6.022) 8.479 12.010 ( -3.149 -1.554 -6.030) 6.978 12.233 ( -0.042 -1.098 -2.412) 2.651 12.329 ( -3.150 -2.451 -4.105) 5.726 12.475 ( -0.768 -3.824 -4.684) 6.095 12.644 ( 0.225 4.151 5.188) 6.648 13.248 ( 10.253 11.707 6.921) 17.032 13.450 ( 1.845 -0.328 0.808) 2.041 13.859 ( -0.639 6.458 2.198) 6.851 14.170 ( -1.057 -1.458 1.711) 2.484 14.389 ( -0.659 1.468 1.028) 1.909 14.720 ( -8.569 2.329 -7.347) 11.525 15.344 ( -4.420 0.819 -2.644) 5.215 15.424 ( -7.457 2.516 -4.604) 9.118 15.768 ( 12.622 -0.817 17.089) 21.261 15.944 ( 4.858 -7.334 7.796) 11.754 16.321 ( 11.185 2.920 -8.291) 14.225 16.851 ( -3.296 6.684 2.201) 7.771 17.019 ( -4.317 1.741 -0.937) 4.748 17.319 ( -9.244 -11.306 -3.687) 15.062 17.501 ( 1.844 -10.978 8.812) 14.197 17.837 ( -4.893 -7.115 -6.247) 10.658 18.137 ( -4.134 -2.602 -3.983) 6.302 18.574 ( -1.026 -3.663 -4.266) 5.716 18.644 ( -1.165 -3.283 -8.121) 8.836 18.804 ( -4.907 -2.273 -5.173) 7.484 19.182 ( -3.648 4.213 -0.061) 5.573 19.383 ( 4.194 8.316 4.458) 10.325 19.492 ( -1.323 15.790 -4.213) 16.396 20.009 ( 3.967 0.845 -1.511) 4.328 20.303 ( 2.593 3.175 4.936) 6.417 21.590 ( -0.506 -0.431 0.075) 0.669 21.644 ( -0.277 1.568 0.878) 1.818 21.766 ( -2.181 0.435 -0.346) 2.251 21.934 ( 1.731 -2.566 3.850) 4.939 27.758 ( -0.213 -2.153 -0.426) 2.205 27.844 ( 0.021 -0.899 0.374) 0.974 27.888 ( -0.172 0.905 0.128) 0.930 27.911 ( 0.345 1.260 0.386) 1.363 35.686 ( -1.521 -5.901 -2.593) 6.623 35.954 ( 0.841 3.591 6.881) 7.807 36.368 ( -8.886 -0.727 -4.984) 10.214 37.539 ( 4.552 -12.529 1.277) 13.391 38.659 ( -3.871 -6.216 -10.271) 12.614 38.870 ( 0.371 -5.664 -1.344) 5.833 40.239 ( 4.519 13.806 -1.154) 14.573 40.613 ( 1.249 11.319 -1.019) 11.434 ======================= Grid point 80 (34/150) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -4.199 -1.909 -6.935) 8.329 1.166 ( 2.421 4.296 1.340) 5.110 1.319 ( -0.054 2.756 0.228) 2.766 1.449 ( -3.545 14.723 0.479) 15.152 1.556 ( -2.589 -4.186 4.139) 6.431 1.739 ( 0.114 1.895 1.895) 2.682 2.084 ( 2.950 -12.368 -2.814) 13.023 2.620 ( -3.545 13.325 -4.935) 14.645 2.772 ( -7.157 16.410 1.182) 17.942 3.048 ( -13.923 7.980 -11.670) 19.842 3.300 ( 4.954 6.646 3.448) 8.978 3.913 ( 7.368 9.488 -11.495) 16.627 4.214 ( -0.220 -0.931 -2.850) 3.006 4.400 ( -7.216 10.591 -1.295) 12.881 4.732 ( -9.005 8.768 -1.607) 12.671 4.882 ( -6.556 8.393 -2.281) 10.892 5.349 ( -5.342 7.339 -5.722) 10.730 5.778 ( -2.481 10.369 -4.297) 11.496 5.930 ( -1.944 -2.153 2.777) 4.016 6.103 ( -2.985 18.347 10.008) 21.111 6.458 ( 5.385 -0.742 1.850) 5.742 6.805 ( -3.361 -18.109 7.848) 20.021 6.910 ( 5.410 5.372 3.309) 8.311 7.116 ( -7.696 1.567 -2.781) 8.332 7.600 ( 7.474 -15.571 -9.752) 19.835 7.828 ( 2.997 -8.043 2.798) 9.027 8.081 ( -0.426 6.059 -2.279) 6.487 8.269 ( 2.803 -17.432 -3.488) 17.997 8.689 ( 3.179 -8.095 8.967) 12.492 8.995 ( 2.013 -11.134 -4.664) 12.238 9.383 ( 4.268 -7.147 -1.009) 8.385 9.570 ( 10.241 -3.992 13.491) 17.402 10.176 ( -0.075 -4.437 -2.329) 5.012 10.638 ( -2.254 -3.110 5.811) 6.966 10.685 ( 5.628 -5.413 5.699) 9.667 10.740 ( -1.870 -2.488 -1.920) 3.656 11.411 ( 1.813 4.188 0.576) 4.600 11.660 ( 8.048 0.514 6.711) 10.491 11.934 ( -2.351 -0.273 -5.413) 5.907 12.227 ( -1.368 -1.777 -3.063) 3.796 12.281 ( 2.177 -0.107 -8.240) 8.523 12.438 ( -5.973 -2.949 -1.819) 6.905 12.609 ( -3.746 5.365 6.230) 9.035 13.265 ( 10.513 13.029 3.766) 17.160 13.492 ( 0.866 -2.453 2.397) 3.537 13.769 ( -2.120 8.021 2.767) 8.745 14.078 ( -10.156 4.881 -3.674) 11.852 14.403 ( 6.508 2.332 3.673) 7.829 14.608 ( -0.279 -0.292 -4.260) 4.280 15.115 ( -7.380 9.724 -6.498) 13.829 15.464 ( -0.696 -16.646 -3.595) 17.044 16.049 ( 5.033 -6.147 10.011) 12.780 16.169 ( 3.987 -4.804 7.887) 10.059 16.388 ( 11.467 -0.005 0.070) 11.467 16.749 ( -1.770 7.451 2.615) 8.092 16.984 ( -2.336 1.363 5.480) 6.111 17.311 ( -9.137 -10.964 -7.722) 16.228 17.707 ( 0.001 -7.164 4.636) 8.533 17.794 ( -7.479 -7.861 -8.376) 13.707 18.121 ( -0.187 -2.188 -0.070) 2.197 18.546 ( -1.877 -1.361 -2.451) 3.374 18.581 ( -2.242 0.813 -1.596) 2.870 18.809 ( 2.926 -4.779 -6.332) 8.455 19.081 ( -5.706 2.134 -0.227) 6.096 19.149 ( 1.794 24.282 -2.211) 24.449 19.373 ( -0.692 4.116 -1.340) 4.384 20.006 ( 2.341 1.927 -2.395) 3.864 20.316 ( 0.715 3.895 3.700) 5.420 21.593 ( -0.469 -0.674 0.188) 0.843 21.631 ( -0.378 1.113 0.774) 1.408 21.733 ( -1.544 0.793 -0.297) 1.761 22.024 ( 0.715 -2.902 4.104) 5.076 27.781 ( 0.378 -1.710 -0.537) 1.832 27.864 ( -0.018 -0.432 1.330) 1.399 27.878 ( -0.711 -0.321 -0.016) 0.780 27.898 ( 0.258 1.682 0.150) 1.708 35.754 ( 2.016 -5.470 -1.146) 5.941 35.913 ( 0.103 7.808 1.262) 7.910 36.296 ( -10.857 -6.717 0.711) 12.787 37.808 ( 6.992 -16.563 -0.205) 17.979 38.601 ( -3.527 -4.293 -6.415) 8.487 38.944 ( -0.090 -6.092 0.102) 6.094 40.039 ( 5.314 19.676 -4.409) 20.852 40.485 ( 4.628 8.934 -4.438) 10.997 ======================= Grid point 81 (35/150) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 1.881 -1.528 0.782) 2.547 1.130 ( 0.087 5.353 0.221) 5.358 1.166 ( -1.850 22.687 2.245) 22.872 1.291 ( -1.418 1.624 -0.748) 2.282 1.602 ( -2.548 -1.342 3.598) 4.608 1.686 ( -1.179 8.107 0.952) 8.247 2.108 ( -4.166 33.182 13.932) 36.229 2.281 ( 5.861 -3.712 -2.361) 7.328 2.651 ( 6.063 0.449 -2.858) 6.718 2.911 ( -4.544 0.715 4.882) 6.707 3.313 ( -0.409 4.357 3.857) 5.833 3.682 ( 4.018 17.891 -8.855) 20.363 4.139 ( -2.087 13.875 5.302) 15.000 4.203 ( -4.936 16.518 11.269) 20.596 4.648 ( -3.662 -10.768 -10.298) 15.343 4.772 ( -0.070 -3.006 4.293) 5.242 5.141 ( -1.651 7.842 -0.033) 8.014 5.559 ( 0.003 13.937 -5.502) 14.984 5.908 ( -7.341 16.623 14.252) 23.094 5.989 ( -2.097 -9.355 -4.653) 10.657 6.445 ( 1.375 9.455 -1.015) 9.608 6.879 ( -1.571 0.927 -1.765) 2.539 7.004 ( -4.251 -6.376 -6.727) 10.197 7.179 ( 1.744 -14.383 10.554) 17.925 7.833 ( 9.050 -14.822 -6.234) 18.451 7.949 ( 2.029 5.737 -2.568) 6.604 8.041 ( -0.170 -10.663 3.663) 11.275 8.502 ( 3.886 -16.026 -3.416) 16.841 8.774 ( -2.545 -1.564 -1.826) 3.501 9.177 ( 3.705 -10.868 -1.393) 11.566 9.481 ( 1.849 -5.905 -6.582) 9.034 9.719 ( -0.865 -2.437 1.572) 3.027 10.226 ( 1.730 -4.921 -1.867) 5.540 10.659 ( -4.741 -0.465 1.503) 4.995 10.768 ( 1.333 -1.471 3.100) 3.681 10.864 ( 0.537 -9.297 3.672) 10.010 11.342 ( -0.616 5.011 -3.230) 5.994 11.774 ( 1.865 -0.111 2.387) 3.031 11.871 ( -0.353 -0.284 -5.062) 5.082 12.118 ( 4.419 5.178 -10.231) 12.289 12.308 ( 3.754 -4.320 -0.751) 5.772 12.431 ( -6.164 -3.431 4.670) 8.460 12.585 ( -2.762 2.221 8.037) 8.784 13.170 ( 3.019 12.147 -3.103) 12.895 13.558 ( -0.664 -2.430 0.166) 2.524 13.678 ( -1.841 7.391 5.842) 9.600 13.909 ( -6.066 4.603 4.218) 8.705 14.320 ( -0.569 12.800 -3.100) 13.182 14.676 ( 12.743 11.080 2.989) 17.149 14.945 ( -9.657 -14.166 -5.624) 18.044 15.700 ( 1.361 -21.759 -7.499) 23.055 16.179 ( 1.023 -1.179 -0.502) 1.639 16.269 ( -5.090 -4.790 -1.984) 7.265 16.495 ( 2.886 -0.713 -0.589) 3.031 16.693 ( -0.820 2.388 2.832) 3.794 17.052 ( -1.999 -1.800 12.960) 13.237 17.310 ( 0.720 -8.149 -3.368) 8.847 17.761 ( -2.801 -5.279 -0.797) 6.029 17.802 ( 3.005 -1.454 2.630) 4.250 18.154 ( -0.556 -1.887 -0.225) 1.980 18.516 ( -0.076 2.203 1.056) 2.444 18.593 ( -0.801 -3.382 0.320) 3.490 18.739 ( 4.834 14.886 -7.317) 17.277 18.865 ( 2.066 16.780 2.250) 17.056 19.072 ( -3.007 -4.779 4.828) 7.429 19.302 ( 0.954 1.962 -2.109) 3.035 19.968 ( 0.763 2.237 -2.693) 3.583 20.289 ( -0.967 3.774 1.505) 4.176 21.602 ( -0.254 -0.777 0.364) 0.895 21.623 ( -0.809 0.355 0.969) 1.311 21.710 ( -1.126 0.576 0.476) 1.351 22.093 ( -2.099 -3.129 2.186) 4.356 27.795 ( 0.861 -0.376 -1.150) 1.485 27.861 ( -1.810 0.204 1.294) 2.235 27.874 ( 0.296 1.853 -0.681) 1.996 27.900 ( -0.000 -1.835 1.117) 2.148 35.739 ( 1.949 7.952 -2.744) 8.635 35.921 ( -0.544 -8.124 1.296) 8.245 36.291 ( -6.918 -2.343 5.746) 9.293 37.991 ( 2.685 -11.700 -22.614) 25.602 38.666 ( 4.519 -5.748 11.729) 13.821 39.024 ( 0.086 -5.171 0.662) 5.214 39.794 ( 7.147 20.138 -0.610) 21.377 40.395 ( 8.380 6.942 -5.807) 12.335 ======================= Grid point 82 (36/150) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 9.823 -5.115 8.064) 13.700 0.930 ( 4.265 20.481 12.407) 24.322 1.057 ( -1.441 5.340 -0.735) 5.579 1.217 ( 0.768 10.228 6.877) 12.349 1.525 ( -3.922 10.004 1.402) 10.836 1.616 ( -2.852 -0.318 3.427) 4.470 2.152 ( 20.650 17.357 35.085) 44.256 2.310 ( 10.271 7.538 3.918) 13.329 2.825 ( -2.030 -17.119 1.295) 17.287 2.943 ( 4.013 2.961 11.426) 12.467 3.229 ( -7.809 4.116 -2.358) 9.137 3.427 ( 6.337 22.788 7.334) 24.764 3.936 ( -6.894 16.936 10.533) 21.102 4.168 ( 4.361 6.376 8.476) 11.468 4.631 ( 1.966 -4.922 -7.473) 9.162 4.988 ( 6.359 -8.032 7.218) 12.532 5.145 ( 6.759 4.593 9.788) 12.751 5.387 ( 2.975 6.149 -0.932) 6.894 5.767 ( -6.325 9.450 5.996) 12.856 6.049 ( 0.309 -10.360 -7.753) 12.943 6.292 ( -0.291 12.169 2.717) 12.472 6.748 ( -7.522 3.623 -6.903) 10.833 7.041 ( 0.546 -8.787 -5.279) 10.266 7.420 ( -3.107 -9.257 7.336) 12.214 7.808 ( 4.507 8.202 -4.522) 10.394 8.089 ( 3.043 -11.647 -2.363) 12.268 8.145 ( -3.823 -7.313 -6.481) 10.493 8.682 ( -1.082 -11.440 -2.267) 11.713 8.732 ( -3.081 -4.252 -3.815) 6.490 9.219 ( -3.137 -2.907 -10.258) 11.113 9.370 ( -6.331 0.977 -17.920) 19.030 9.735 ( -4.561 -4.553 -1.105) 6.538 10.304 ( 2.681 -4.465 -0.474) 5.230 10.622 ( -4.193 -1.836 -0.566) 4.612 10.796 ( -3.524 1.444 2.035) 4.318 11.056 ( 4.046 -11.260 -0.828) 11.994 11.254 ( 2.672 1.098 -1.215) 3.134 11.660 ( -9.095 1.396 -10.480) 13.947 11.900 ( 6.569 -1.574 3.313) 7.524 12.113 ( 11.917 3.133 -0.339) 12.326 12.376 ( 0.550 -2.104 -2.347) 3.200 12.508 ( -2.306 -6.184 8.495) 10.758 12.649 ( 1.724 -1.242 5.276) 5.687 13.001 ( -5.298 5.553 -2.103) 7.957 13.507 ( -4.393 2.483 -1.232) 5.195 13.672 ( -0.366 2.676 5.776) 6.376 13.875 ( -1.042 7.707 7.109) 10.536 14.157 ( 2.726 7.093 1.287) 7.707 14.563 ( -3.061 10.185 1.876) 10.799 15.059 ( -3.442 -7.823 -6.914) 10.993 15.711 ( -12.254 -1.323 -11.840) 17.091 16.061 ( -9.963 4.229 -6.207) 12.477 16.253 ( 2.542 -4.604 0.133) 5.261 16.499 ( 2.761 -5.768 -8.572) 10.694 16.698 ( -3.887 -4.462 0.652) 5.953 17.151 ( -6.308 -7.264 1.618) 9.755 17.471 ( 1.630 0.808 7.882) 8.089 17.743 ( -1.637 1.391 -4.425) 4.919 18.009 ( 4.883 -2.488 4.099) 6.844 18.266 ( 18.760 -7.786 8.771) 22.124 18.442 ( -0.092 6.082 0.845) 6.141 18.544 ( 3.787 6.969 -3.131) 8.527 18.612 ( -0.772 3.306 -2.209) 4.051 18.828 ( 7.803 4.776 14.415) 17.073 19.201 ( 1.066 -4.166 8.052) 9.128 19.340 ( 6.946 -3.055 -0.532) 7.607 19.928 ( 0.807 0.590 -2.444) 2.640 20.230 ( -2.011 3.057 0.260) 3.669 21.609 ( -0.146 0.185 0.390) 0.456 21.630 ( -1.003 -1.404 1.417) 2.232 21.705 ( -1.735 -0.364 1.883) 2.586 22.063 ( -7.912 0.829 -2.498) 8.339 27.787 ( 0.853 0.830 -1.185) 1.680 27.841 ( -0.441 1.383 -0.854) 1.684 27.858 ( -0.829 -0.120 0.568) 1.012 27.939 ( 0.019 -2.039 1.372) 2.458 35.648 ( 2.429 5.307 -0.703) 5.878 36.033 ( -2.106 -7.347 1.143) 7.727 36.370 ( 4.954 -2.337 10.019) 11.419 37.707 ( 0.629 12.637 -29.635) 32.223 38.905 ( 3.648 -4.166 -0.319) 5.547 39.072 ( 0.420 -0.011 -2.393) 2.430 39.854 ( 11.388 -4.386 18.369) 22.053 40.432 ( 17.348 -1.785 -0.617) 17.451 ======================= Grid point 85 (37/150) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -4.038 -0.000 -4.798) 6.271 1.195 ( 4.429 0.000 2.293) 4.988 1.390 ( -12.121 -0.000 5.091) 13.147 1.402 ( 1.956 0.000 1.675) 2.576 1.579 ( 3.313 0.000 0.187) 3.318 1.734 ( 0.364 0.000 5.805) 5.817 1.989 ( -11.168 -0.000 -6.795) 13.073 2.566 ( -1.185 -0.000 6.787) 6.890 2.969 ( 12.140 0.000 8.238) 14.671 3.210 ( 7.339 0.000 -3.081) 7.960 3.952 ( 7.178 0.000 2.706) 7.671 4.177 ( 9.797 0.000 16.245) 18.970 4.620 ( -1.961 -0.000 6.137) 6.443 4.704 ( -22.126 -0.000 -28.239) 35.875 4.856 ( 6.759 0.000 12.033) 13.801 5.423 ( -2.080 -0.000 1.727) 2.703 5.536 ( 6.665 0.000 7.430) 9.981 5.811 ( 6.190 0.000 -9.018) 10.938 6.171 ( 12.862 0.000 -22.233) 25.685 6.181 ( -3.158 -0.000 -4.941) 5.864 6.463 ( 0.990 0.000 2.962) 3.123 6.787 ( -7.960 -0.000 -22.093) 23.483 6.986 ( 7.780 0.000 20.149) 21.599 7.334 ( -13.947 -0.000 5.893) 15.140 7.515 ( -6.455 -0.000 6.399) 9.089 7.584 ( -8.629 -0.000 -12.877) 15.501 7.757 ( -4.245 -0.000 1.443) 4.484 7.784 ( 27.936 0.000 28.124) 39.641 8.329 ( -2.695 -0.000 8.741) 9.147 8.554 ( -4.434 -0.000 -4.325) 6.195 9.102 ( 1.076 0.000 -10.112) 10.169 9.280 ( -0.175 -0.000 -10.834) 10.836 10.135 ( -4.468 -0.000 -5.383) 6.996 10.451 ( -2.480 -0.000 -3.037) 3.921 10.482 ( -1.722 -0.000 1.136) 2.063 10.875 ( -6.269 -0.000 -1.121) 6.368 11.308 ( 7.880 0.000 0.595) 7.903 11.563 ( -0.707 -0.000 3.325) 3.399 12.006 ( -3.387 -0.000 -3.826) 5.110 12.261 ( -3.359 -0.000 -3.695) 4.994 12.346 ( -8.791 -0.000 0.699) 8.819 12.386 ( 4.353 0.000 -6.435) 7.769 12.606 ( 7.536 0.000 6.712) 10.092 13.397 ( 9.924 0.000 3.103) 10.398 13.525 ( 1.933 0.000 4.916) 5.282 13.804 ( 9.316 0.000 0.122) 9.317 14.190 ( -2.914 -0.000 10.659) 11.050 14.197 ( -1.009 -0.000 4.050) 4.174 15.038 ( -13.252 -0.000 -8.843) 15.931 15.300 ( 6.305 0.000 4.507) 7.750 15.491 ( -0.675 -0.000 9.082) 9.107 15.537 ( 7.844 0.000 13.246) 15.394 16.161 ( -2.555 -0.000 -17.276) 17.464 16.184 ( -1.368 -0.000 -1.745) 2.217 16.901 ( -0.524 -0.000 8.288) 8.305 17.141 ( -0.590 -0.000 4.378) 4.417 17.214 ( -6.188 -0.000 -12.392) 13.851 17.327 ( -1.985 -0.000 -7.872) 8.118 17.720 ( 0.849 0.000 -0.140) 0.860 18.141 ( -3.624 -0.000 0.177) 3.628 18.280 ( 1.766 0.000 -6.124) 6.374 18.730 ( -8.078 -0.000 -11.932) 14.409 18.988 ( -6.407 -0.000 -5.880) 8.697 19.214 ( 2.157 0.000 10.649) 10.866 19.518 ( 1.251 0.000 1.029) 1.620 19.754 ( 1.791 0.000 5.963) 6.227 20.188 ( 8.436 0.000 3.510) 9.137 20.196 ( 2.598 0.000 -3.920) 4.703 21.588 ( -0.826 -0.000 0.436) 0.933 21.696 ( -1.605 -0.000 2.103) 2.645 21.782 ( -1.600 -0.000 0.281) 1.624 21.803 ( 2.731 0.000 2.283) 3.559 27.713 ( -0.889 -0.000 -0.482) 1.012 27.822 ( 0.177 0.000 -0.627) 0.652 27.924 ( 1.123 0.000 1.623) 1.973 27.928 ( -1.273 -0.000 -1.294) 1.816 35.638 ( -8.241 -0.000 -4.874) 9.575 35.828 ( -0.458 -0.000 10.353) 10.363 36.686 ( -2.616 -0.000 -9.272) 9.634 37.191 ( 1.776 0.000 -3.749) 4.148 38.614 ( -1.200 -0.000 -7.480) 7.576 38.777 ( 0.050 0.000 -4.594) 4.595 40.418 ( 2.240 0.000 5.774) 6.193 40.968 ( -3.401 -0.000 0.201) 3.407 ======================= Grid point 86 (38/150) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -3.709 0.982 -5.083) 6.368 1.227 ( -4.002 -0.682 2.494) 4.764 1.309 ( -7.519 -2.802 0.413) 8.034 1.434 ( 0.529 0.124 1.192) 1.310 1.615 ( 3.025 -0.907 -0.143) 3.161 1.773 ( -0.311 2.778 5.477) 6.149 1.884 ( -3.661 -1.881 -2.350) 4.740 2.653 ( 3.147 -0.556 7.373) 8.036 3.137 ( 7.714 3.478 4.539) 9.602 3.220 ( 1.894 -0.538 -2.089) 2.870 3.940 ( -1.786 0.376 -7.642) 7.857 4.122 ( -25.213 6.046 -21.023) 33.380 4.454 ( 11.708 -0.297 7.855) 14.103 4.598 ( -4.867 1.894 -3.738) 6.423 5.093 ( 6.457 -0.029 13.011) 14.525 5.338 ( -4.355 5.514 -2.205) 7.364 5.568 ( 10.988 16.456 -13.775) 24.110 5.813 ( 9.580 -3.250 15.535) 18.539 6.067 ( 0.720 2.760 -18.770) 18.986 6.172 ( -0.305 -10.921 -7.202) 13.086 6.330 ( 1.547 6.300 -5.119) 8.264 6.706 ( 3.847 -6.086 -5.968) 9.352 7.179 ( -17.579 0.144 4.763) 18.213 7.275 ( -6.393 12.738 -0.585) 14.264 7.307 ( 2.895 -2.547 13.045) 13.603 7.648 ( -3.162 -13.808 1.881) 14.290 7.762 ( -1.663 -5.639 0.336) 5.888 8.037 ( -0.690 -4.956 -0.411) 5.021 8.385 ( -6.651 7.621 -4.964) 11.267 8.805 ( 18.521 1.123 27.399) 33.091 8.994 ( 3.004 -6.306 -3.384) 7.761 9.186 ( -0.410 -2.120 -8.318) 8.594 10.070 ( -2.688 -2.125 -2.839) 4.450 10.451 ( 5.372 -0.592 1.379) 5.577 10.524 ( -0.445 -0.413 6.847) 6.874 10.797 ( -4.641 1.425 -1.028) 4.962 11.391 ( 5.439 -1.239 0.278) 5.585 11.607 ( 2.099 1.698 6.876) 7.388 11.961 ( -1.353 -1.511 -3.646) 4.172 12.199 ( -3.725 -1.048 -2.249) 4.476 12.274 ( -3.937 -1.213 -3.350) 5.310 12.400 ( 3.551 -1.674 -2.602) 4.710 12.743 ( 6.883 2.389 6.924) 10.050 13.455 ( 1.254 1.883 -0.684) 2.363 13.555 ( 9.288 8.487 5.157) 13.598 13.919 ( 4.643 -3.310 -1.870) 6.000 14.166 ( -2.757 3.087 2.508) 4.839 14.301 ( -2.646 -5.450 6.663) 9.006 14.796 ( -13.270 2.181 -7.373) 15.337 15.213 ( -10.365 -2.944 -7.504) 13.130 15.663 ( 4.058 5.902 5.535) 9.052 15.781 ( 12.256 -4.303 12.471) 18.007 15.911 ( 1.311 10.935 2.537) 11.301 16.293 ( 4.643 -7.599 -4.249) 9.867 16.945 ( -3.160 1.397 2.730) 4.403 17.016 ( -7.960 -1.200 -5.978) 10.027 17.202 ( -1.222 0.738 -3.061) 3.378 17.245 ( -0.305 -5.538 1.750) 5.816 17.737 ( -0.678 -0.299 -0.328) 0.811 18.103 ( -3.314 -0.495 -0.659) 3.415 18.335 ( 3.997 -9.685 -3.434) 11.026 18.550 ( -7.174 -1.515 -9.710) 12.168 18.843 ( -6.130 1.789 -6.446) 9.073 19.233 ( -7.128 0.456 0.039) 7.142 19.540 ( 5.397 4.276 3.379) 7.669 19.794 ( -0.253 2.609 1.916) 3.247 20.127 ( 6.372 8.308 -2.871) 10.857 20.330 ( 4.876 -1.659 3.085) 6.004 21.585 ( -0.599 -0.030 0.306) 0.673 21.689 ( -0.972 1.439 1.474) 2.278 21.767 ( -1.470 -0.257 -0.411) 1.548 21.868 ( 1.576 -1.848 3.210) 4.025 27.709 ( -0.613 -1.093 -0.190) 1.267 27.820 ( -0.166 -0.631 -0.452) 0.794 27.902 ( -0.735 0.187 -1.209) 1.427 27.945 ( 0.845 0.854 1.514) 1.933 35.543 ( -5.289 -3.518 -3.792) 7.398 35.944 ( -0.943 -1.868 11.950) 12.132 36.505 ( -4.168 6.878 -9.636) 12.551 37.227 ( 0.878 -8.958 -3.681) 9.724 38.553 ( -1.615 -1.936 -5.366) 5.928 38.758 ( 0.026 -2.352 -2.308) 3.295 40.463 ( 3.678 3.840 1.617) 5.557 40.884 ( -2.012 6.684 -1.442) 7.128 ======================= Grid point 87 (39/150) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -2.404 1.884 -4.601) 5.523 1.227 ( -4.753 -4.235 1.797) 6.615 1.306 ( -0.693 -3.367 -2.088) 4.022 1.438 ( -1.861 0.671 3.562) 4.075 1.655 ( 3.149 -0.116 -1.665) 3.564 1.768 ( -2.049 3.452 5.477) 6.790 1.883 ( -0.641 -3.102 -0.715) 3.247 2.768 ( 5.379 1.109 6.274) 8.338 3.058 ( -3.473 6.414 -4.803) 8.733 3.284 ( 1.128 3.969 6.091) 7.357 3.565 ( -14.606 11.164 -13.943) 23.073 3.919 ( -1.118 -7.897 -4.765) 9.291 4.309 ( -0.883 14.801 -15.741) 21.625 4.594 ( 3.999 5.564 1.957) 7.126 5.026 ( -3.463 8.817 -4.240) 10.379 5.265 ( 5.124 14.866 0.938) 15.752 5.498 ( 8.311 7.025 0.533) 10.895 5.892 ( -0.501 -7.405 -5.060) 8.983 6.088 ( 2.585 -2.227 1.846) 3.879 6.161 ( 4.719 5.072 0.809) 6.975 6.379 ( -0.925 -3.109 4.854) 5.838 6.733 ( 1.805 0.940 -5.012) 5.410 6.982 ( -7.401 2.320 3.192) 8.387 7.162 ( -6.151 0.650 2.208) 6.567 7.351 ( -2.503 1.274 -2.270) 3.611 7.767 ( -6.017 -11.504 -0.007) 12.982 7.844 ( 1.685 2.652 -1.644) 3.546 8.102 ( -1.585 -4.837 0.808) 5.154 8.348 ( 4.365 -13.587 9.843) 17.336 8.793 ( -5.110 -4.004 -8.513) 10.706 9.187 ( 1.250 -7.060 -4.690) 8.568 9.443 ( 12.561 -4.936 17.727) 22.280 10.063 ( -1.957 -3.403 -1.553) 4.221 10.547 ( 3.474 -1.847 2.718) 4.782 10.629 ( 2.893 -0.615 9.242) 9.704 10.730 ( -2.236 0.613 -1.226) 2.622 11.459 ( 3.826 -0.884 -0.858) 4.020 11.690 ( 4.058 1.431 7.105) 8.306 11.922 ( -0.997 -0.213 -4.512) 4.626 12.169 ( -3.105 -1.681 0.443) 3.559 12.238 ( -1.195 -2.771 -3.937) 4.960 12.414 ( 1.251 0.420 -3.097) 3.366 12.794 ( 2.081 6.908 5.526) 9.087 13.438 ( 1.082 0.184 0.542) 1.224 13.591 ( 9.980 8.896 2.145) 13.540 13.932 ( 0.438 2.523 -0.935) 2.726 14.140 ( -1.502 0.525 1.269) 2.036 14.343 ( -4.419 -3.594 -3.194) 6.531 14.599 ( -8.045 1.016 -1.485) 8.244 15.121 ( -6.500 -8.304 -5.293) 11.799 15.521 ( -2.135 15.366 -1.744) 15.611 15.900 ( -0.195 -2.819 4.767) 5.542 16.112 ( 10.297 -0.974 11.621) 15.557 16.379 ( 9.473 -1.251 -2.447) 9.863 16.919 ( -1.150 -5.408 -1.363) 5.695 16.945 ( -7.231 3.147 4.591) 9.125 17.110 ( -4.837 0.021 -4.159) 6.379 17.419 ( 0.269 -11.964 3.051) 12.349 17.705 ( -2.765 0.451 -0.872) 2.935 18.081 ( -1.191 -1.048 -0.349) 1.625 18.444 ( -4.429 -3.902 -5.359) 7.972 18.508 ( 4.780 -11.076 -0.523) 12.075 18.702 ( -4.076 2.615 -4.458) 6.582 19.120 ( -6.714 0.134 -4.369) 8.011 19.547 ( 3.714 6.886 1.266) 7.926 19.694 ( -0.463 13.468 0.650) 13.492 20.076 ( 6.235 4.890 -3.910) 8.836 20.391 ( 1.346 1.308 2.319) 2.983 21.583 ( -0.467 -0.139 0.243) 0.545 21.670 ( -0.611 1.705 0.859) 2.005 21.748 ( -1.226 0.201 -0.483) 1.333 21.942 ( 0.255 -2.911 3.217) 4.346 27.723 ( -0.456 -1.940 -0.028) 1.993 27.828 ( -0.244 -1.347 -0.156) 1.377 27.887 ( -0.018 0.029 -0.604) 0.605 27.946 ( 0.291 1.721 1.030) 2.027 35.547 ( -1.990 -7.233 -2.033) 7.772 36.081 ( -1.886 -3.119 12.200) 12.733 36.255 ( -4.172 9.469 -9.034) 13.736 37.374 ( 2.210 -15.148 -2.947) 15.590 38.523 ( -1.404 -1.639 -1.739) 2.771 38.794 ( -0.066 -4.688 -0.152) 4.691 40.419 ( 4.664 8.615 -3.442) 10.383 40.738 ( 0.055 9.459 -3.713) 10.162 ======================= Grid point 88 (40/150) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 2.125 0.822 0.092) 2.280 1.230 ( -0.374 1.593 -0.151) 1.643 1.319 ( 0.359 -1.189 -3.241) 3.471 1.483 ( -4.060 -5.110 6.034) 8.889 1.613 ( 0.790 8.144 -0.672) 8.210 1.759 ( -1.915 0.578 2.324) 3.067 1.951 ( 1.264 -8.571 -0.210) 8.666 2.809 ( 5.223 13.614 2.293) 14.761 2.899 ( -5.727 -0.757 -0.842) 5.838 3.053 ( -3.647 22.278 4.462) 23.011 3.434 ( 1.992 4.111 5.149) 6.883 3.987 ( 1.173 5.837 -16.586) 17.622 4.080 ( 8.827 -10.030 0.596) 13.374 4.479 ( 1.605 12.179 -2.239) 12.487 4.861 ( 1.632 9.245 -1.533) 9.512 5.096 ( 1.841 22.675 7.108) 23.834 5.398 ( -2.669 10.169 -0.644) 10.533 5.856 ( -3.930 10.503 -0.883) 11.249 5.927 ( -1.300 6.620 -6.646) 9.470 6.400 ( 3.041 -15.722 0.627) 16.026 6.442 ( 3.182 10.658 11.212) 15.793 6.576 ( -10.886 -3.344 -1.105) 11.441 7.032 ( 1.561 0.857 -1.591) 2.388 7.073 ( -5.542 6.160 0.255) 8.290 7.371 ( 5.660 -16.231 -3.181) 17.481 7.809 ( 0.822 -1.817 5.992) 6.315 7.984 ( 1.338 -21.753 -4.703) 22.296 8.115 ( -0.137 1.758 -0.635) 1.874 8.710 ( -6.256 -3.717 -6.689) 9.884 8.790 ( 6.572 -17.024 13.529) 22.717 9.275 ( 2.794 -8.608 -5.136) 10.406 9.627 ( -2.803 -4.203 -0.894) 5.131 10.092 ( -0.075 -4.371 -0.354) 4.386 10.623 ( -1.517 -2.777 1.901) 3.691 10.672 ( -2.462 -2.392 0.739) 3.511 10.768 ( 1.463 -0.200 5.544) 5.737 11.448 ( 0.311 1.840 -5.095) 5.426 11.769 ( 1.041 -0.212 2.500) 2.716 11.865 ( -0.347 0.272 -4.971) 4.990 12.196 ( -0.291 -2.033 4.217) 4.691 12.231 ( 4.858 0.502 -4.593) 6.705 12.370 ( -2.001 0.413 -1.475) 2.520 12.737 ( -2.618 7.649 5.646) 9.861 13.472 ( -0.390 -2.875 -0.408) 2.930 13.527 ( 4.676 12.695 -5.215) 14.499 13.866 ( -2.157 6.122 2.446) 6.937 14.076 ( -1.594 6.298 3.198) 7.241 14.423 ( 3.684 -13.480 -0.677) 13.991 14.540 ( -1.476 2.219 -0.012) 2.665 15.189 ( -0.173 -10.700 -3.392) 11.226 15.243 ( -1.368 16.517 -2.951) 16.835 15.977 ( -4.502 -7.279 1.157) 8.637 16.230 ( 0.631 -0.924 0.262) 1.149 16.515 ( 8.618 -0.071 3.213) 9.198 16.847 ( -6.498 6.241 4.091) 9.895 17.020 ( -7.156 -2.683 -3.341) 8.341 17.042 ( 3.690 -7.857 4.574) 9.812 17.558 ( -2.148 -10.424 -4.392) 11.513 17.711 ( 0.413 -2.254 5.913) 6.342 18.100 ( -0.076 -2.056 0.569) 2.135 18.466 ( 0.507 -5.164 1.229) 5.332 18.606 ( 0.170 4.217 0.827) 4.301 18.716 ( 4.586 -10.594 1.517) 11.643 19.026 ( -2.381 0.340 -4.252) 4.885 19.438 ( 1.272 15.136 -1.953) 15.314 19.489 ( 0.387 14.653 0.725) 14.676 20.036 ( 3.541 3.240 -4.933) 6.883 20.378 ( -1.545 2.598 0.902) 3.154 21.584 ( -0.395 -0.386 0.339) 0.648 21.650 ( -0.536 1.436 0.498) 1.612 21.729 ( -0.539 0.574 -0.224) 0.818 22.006 ( -1.510 -3.367 2.256) 4.325 27.748 ( -0.196 -2.344 -0.188) 2.359 27.845 ( -0.306 -1.789 -0.145) 1.820 27.886 ( 0.242 0.385 0.504) 0.678 27.926 ( -0.338 2.107 0.200) 2.143 35.643 ( 0.563 -9.572 -0.202) 9.591 36.006 ( -4.640 6.706 -8.744) 11.956 36.220 ( -0.589 -0.116 13.629) 13.642 37.579 ( 2.587 -16.862 -6.825) 18.374 38.560 ( 1.220 -2.560 5.996) 6.633 38.870 ( -0.057 -5.828 1.434) 6.002 40.266 ( 4.434 13.975 -6.726) 16.131 40.583 ( 2.427 7.976 -6.326) 10.465 ======================= Grid point 89 (41/150) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 6.505 -1.766 5.794) 8.889 1.174 ( -1.703 3.815 -1.696) 4.509 1.289 ( 0.142 1.158 -1.591) 1.973 1.440 ( -0.618 14.298 3.059) 14.634 1.580 ( -3.126 -2.844 4.339) 6.057 1.736 ( -1.695 2.146 -0.497) 2.779 2.140 ( 3.170 -14.867 0.987) 15.233 2.677 ( -0.204 8.644 0.322) 8.652 2.784 ( 1.392 16.450 10.410) 19.517 3.017 ( 10.945 7.511 11.381) 17.485 3.390 ( -2.758 8.774 1.229) 9.279 3.861 ( 9.778 5.898 -2.474) 11.684 4.307 ( 2.859 -3.175 -2.140) 4.778 4.386 ( 8.648 6.136 5.727) 12.052 4.794 ( 3.197 27.520 14.646) 31.338 4.847 ( 0.127 5.835 9.102) 10.813 5.308 ( 7.311 7.948 5.237) 12.002 5.688 ( 1.952 11.929 -7.021) 13.979 5.787 ( -2.733 -5.813 -8.797) 10.892 6.158 ( -13.908 16.364 0.498) 21.482 6.550 ( 3.663 -0.731 1.387) 3.984 6.666 ( -6.410 -4.628 0.618) 7.931 6.872 ( -5.373 1.703 -5.926) 8.179 7.188 ( 3.723 -9.623 9.520) 14.039 7.684 ( 9.942 -15.895 -0.319) 18.751 7.923 ( -2.789 -7.274 3.595) 8.580 8.047 ( 1.940 7.043 -2.443) 7.703 8.260 ( 3.291 -19.863 -4.245) 20.576 8.596 ( -9.753 -5.709 -9.210) 14.579 9.077 ( -1.760 -8.037 -1.934) 8.452 9.325 ( 0.867 -4.488 -9.250) 10.317 9.566 ( -10.058 -7.270 -5.105) 13.419 10.168 ( 2.656 -5.013 -0.205) 5.676 10.584 ( -6.021 -1.189 -2.486) 6.621 10.772 ( -2.304 -8.410 3.797) 9.510 10.803 ( -1.607 -0.616 4.542) 4.858 11.346 ( -0.323 3.566 -5.969) 6.960 11.689 ( -8.816 0.774 -7.842) 11.824 11.869 ( 6.333 -0.708 -0.762) 6.418 12.246 ( 11.515 6.473 -1.769) 13.328 12.288 ( 2.501 -3.894 0.076) 4.628 12.373 ( -2.700 -3.537 6.442) 7.829 12.687 ( -2.969 3.446 6.287) 7.760 13.260 ( -4.156 12.882 -10.934) 17.400 13.485 ( -2.980 -2.625 -0.223) 3.977 13.798 ( -1.927 5.889 4.811) 7.845 14.075 ( 4.282 7.394 9.057) 12.452 14.437 ( -2.855 6.961 -3.170) 8.164 14.642 ( -0.621 -10.354 -2.467) 10.662 15.001 ( 8.859 15.113 2.337) 17.674 15.386 ( 3.290 -16.844 -5.192) 17.930 15.994 ( -9.250 -9.334 -5.873) 14.394 16.158 ( -8.696 1.358 -5.247) 10.247 16.566 ( 5.720 4.596 -0.475) 7.353 16.729 ( -7.679 5.376 2.530) 9.709 17.003 ( -2.380 -3.484 2.117) 4.721 17.282 ( 4.104 -12.154 8.163) 15.205 17.614 ( -1.827 -8.664 -4.810) 10.077 17.880 ( 5.492 -5.911 9.083) 12.150 18.138 ( 1.576 -2.433 2.684) 3.951 18.570 ( 2.080 -1.729 2.865) 3.940 18.593 ( 3.021 3.347 4.049) 6.060 18.898 ( 9.208 4.093 -1.013) 10.127 18.966 ( -3.102 -2.706 0.865) 4.207 19.222 ( 3.291 16.354 4.839) 17.370 19.349 ( 0.411 5.793 -2.008) 6.145 19.971 ( 1.532 2.590 -5.580) 6.340 20.316 ( -3.445 2.849 -0.375) 4.486 21.592 ( -0.265 -0.787 0.579) 1.012 21.631 ( -0.647 0.990 0.343) 1.232 21.720 ( 0.188 0.717 0.550) 0.923 22.030 ( -3.865 -2.486 0.099) 4.597 27.774 ( 0.574 -1.966 -0.683) 2.159 27.855 ( -1.059 -0.403 -0.185) 1.148 27.884 ( -0.717 1.287 0.315) 1.506 27.903 ( 0.316 0.155 0.491) 0.605 35.783 ( 2.936 -5.669 -1.005) 6.463 35.829 ( -2.952 1.490 -3.120) 4.546 36.339 ( -0.267 0.379 12.558) 12.567 37.676 ( 0.345 -9.786 -14.443) 17.449 38.749 ( 5.025 -6.136 10.555) 13.203 38.972 ( 0.697 -5.996 3.190) 6.827 40.053 ( 3.736 13.915 -4.468) 15.085 40.472 ( 4.556 3.916 -6.833) 9.098 ======================= Grid point 90 (42/150) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 7.103 -4.524 6.353) 10.549 1.068 ( -2.869 4.674 -2.580) 6.060 1.303 ( 1.137 -1.478 3.567) 4.025 1.309 ( 2.338 12.190 6.975) 14.238 1.610 ( -3.428 -0.940 4.300) 5.579 1.640 ( -2.466 8.322 -0.037) 8.680 2.377 ( 7.109 -8.330 1.319) 11.030 2.582 ( -10.031 -3.880 -1.139) 10.816 2.775 ( 9.001 11.073 11.471) 18.309 3.075 ( -9.345 4.755 -5.024) 11.627 3.311 ( 17.972 11.760 13.338) 25.283 3.943 ( 6.752 7.195 9.356) 13.598 4.248 ( 5.371 8.457 1.003) 10.069 4.462 ( 5.843 7.133 15.413) 17.961 4.791 ( 18.539 18.938 29.993) 40.024 5.079 ( 9.708 -7.490 13.110) 17.950 5.418 ( 12.964 3.866 8.534) 15.995 5.494 ( 1.869 8.394 -7.014) 11.098 5.781 ( -4.462 -1.499 -11.268) 12.212 5.845 ( -4.866 1.984 -2.148) 5.677 6.484 ( -9.696 7.041 0.452) 11.991 6.621 ( 2.565 -0.761 -4.623) 5.341 6.847 ( -1.643 -4.602 1.067) 5.002 7.397 ( -3.236 -5.535 7.105) 9.570 7.868 ( -2.361 -3.668 -8.940) 9.948 7.935 ( 0.954 5.613 -5.337) 7.804 8.010 ( 2.859 -6.859 1.380) 7.558 8.391 ( -11.286 -12.901 -6.477) 18.324 8.586 ( 2.114 -11.028 -4.774) 12.201 8.894 ( -18.224 -6.129 -23.045) 30.013 9.237 ( -1.128 4.374 -7.460) 8.721 9.548 ( -7.406 -7.379 -4.631) 11.435 10.268 ( 2.652 -5.004 0.707) 5.708 10.510 ( -4.849 -2.898 -4.908) 7.483 10.741 ( -9.217 -0.525 -0.439) 9.242 10.981 ( 4.223 -8.148 4.481) 10.213 11.269 ( 0.411 1.414 -3.440) 3.742 11.497 ( -6.267 1.403 -7.713) 10.036 11.990 ( 8.584 -2.844 3.721) 9.778 12.262 ( 6.503 2.251 -0.954) 6.947 12.316 ( 2.115 -0.513 -4.239) 4.765 12.525 ( 2.441 -4.013 9.441) 10.545 12.689 ( 0.181 0.646 -0.079) 0.676 12.971 ( -7.790 6.459 -4.652) 11.137 13.478 ( -3.680 0.525 2.099) 4.269 13.759 ( -1.983 3.606 4.207) 5.885 14.078 ( 1.545 8.965 5.954) 10.872 14.259 ( -4.359 7.262 -2.999) 8.984 14.621 ( 1.596 3.716 2.346) 4.675 15.089 ( 10.908 2.116 3.572) 11.672 15.521 ( -2.342 -5.187 -2.345) 6.155 15.859 ( -13.776 -3.904 -9.886) 17.400 16.082 ( -1.507 -9.741 -6.022) 11.551 16.527 ( 2.338 3.803 -6.773) 8.112 16.626 ( -4.420 2.071 5.545) 7.387 17.064 ( -0.181 -2.770 3.171) 4.214 17.528 ( -1.345 -6.626 6.357) 9.281 17.621 ( -3.521 -3.572 -5.771) 7.646 18.000 ( -0.975 -1.282 -0.029) 1.611 18.416 ( 14.285 -13.388 10.702) 22.312 18.576 ( 3.169 4.718 2.434) 6.183 18.604 ( 2.368 7.105 0.030) 7.490 18.727 ( 1.882 13.836 -3.352) 14.360 19.038 ( 3.195 0.791 6.024) 6.864 19.295 ( 2.889 -2.329 10.769) 11.390 19.330 ( 4.235 -1.773 -0.720) 4.647 19.909 ( 1.784 0.517 -5.151) 5.475 20.236 ( -3.597 2.066 -0.340) 4.162 21.611 ( 0.055 -0.989 0.756) 1.246 21.616 ( -1.050 0.235 0.499) 1.186 21.725 ( 0.635 0.890 1.659) 1.987 21.983 ( -5.511 0.547 -1.779) 5.817 27.797 ( 1.871 -0.395 -0.880) 2.105 27.828 ( -2.100 0.723 -0.126) 2.224 27.863 ( -0.212 0.631 -0.276) 0.721 27.925 ( -0.092 -1.405 0.883) 1.663 35.731 ( 1.648 3.967 -0.620) 4.340 35.921 ( -1.295 -7.046 0.311) 7.170 36.464 ( 1.887 -2.551 9.010) 9.552 37.577 ( 0.204 1.689 -15.205) 15.299 38.895 ( 2.723 -1.394 -1.023) 3.226 39.071 ( 1.329 0.414 -0.703) 1.559 40.005 ( 3.102 -1.497 6.969) 7.774 40.485 ( 6.438 -5.207 -1.687) 8.450 ======================= Grid point 94 (43/150) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -1.642 -0.000 -2.954) 3.379 1.065 ( -16.307 -0.000 2.370) 16.478 1.315 ( 2.203 0.000 -0.331) 2.228 1.451 ( 1.136 0.000 0.040) 1.137 1.637 ( 2.087 0.000 0.101) 2.090 1.835 ( -1.205 -0.000 -0.179) 1.219 1.840 ( -0.590 -0.000 4.371) 4.411 2.769 ( 4.310 0.000 7.179) 8.373 3.139 ( -2.885 -0.000 -6.296) 6.925 3.324 ( 7.018 0.000 8.667) 11.152 3.721 ( -18.658 -0.000 -15.453) 24.227 3.798 ( -4.104 -0.000 -9.578) 10.420 4.608 ( 3.034 0.000 -2.781) 4.116 4.677 ( 7.851 0.000 8.216) 11.363 5.230 ( -1.520 -0.000 -13.513) 13.598 5.290 ( 4.895 0.000 12.105) 13.057 5.677 ( -11.867 -0.000 -17.034) 20.760 5.809 ( 20.634 0.000 -15.483) 25.797 6.064 ( 5.641 0.000 0.515) 5.665 6.067 ( 10.728 0.000 7.678) 13.193 6.523 ( 11.212 0.000 -1.589) 11.324 6.568 ( -0.058 -0.000 2.119) 2.120 7.015 ( -21.257 -0.000 4.160) 21.660 7.246 ( -3.519 -0.000 -13.884) 14.323 7.458 ( -14.462 -0.000 10.699) 17.989 7.495 ( -3.765 -0.000 2.236) 4.379 7.855 ( 15.926 0.000 18.436) 24.362 7.973 ( -2.327 -0.000 2.000) 3.068 8.373 ( -4.686 -0.000 -0.178) 4.690 8.660 ( -14.370 -0.000 -14.710) 20.564 9.086 ( 1.548 0.000 -7.591) 7.747 9.363 ( 14.277 0.000 21.242) 25.594 10.017 ( -1.411 -0.000 -0.601) 1.534 10.525 ( 3.244 0.000 1.687) 3.656 10.623 ( 2.831 0.000 10.162) 10.549 10.747 ( -2.746 -0.000 -1.886) 3.331 11.428 ( 4.453 0.000 -1.681) 4.760 11.708 ( 1.149 0.000 6.802) 6.898 11.925 ( 0.623 0.000 -2.388) 2.468 12.147 ( -3.067 -0.000 1.274) 3.321 12.189 ( -2.366 -0.000 -3.995) 4.643 12.426 ( 5.110 0.000 -1.057) 5.218 12.897 ( 5.927 0.000 4.717) 7.575 13.454 ( -0.570 -0.000 -2.929) 2.984 13.715 ( 5.595 0.000 0.668) 5.635 13.926 ( 4.961 0.000 -1.385) 5.151 14.187 ( -0.957 -0.000 -1.136) 1.485 14.252 ( -6.558 -0.000 3.950) 7.656 14.631 ( -12.459 -0.000 -0.083) 12.459 15.017 ( -7.534 -0.000 -6.463) 9.927 15.804 ( 4.635 0.000 -4.899) 6.745 15.814 ( -1.042 -0.000 5.935) 6.026 16.135 ( 7.950 0.000 7.661) 11.040 16.320 ( 6.415 0.000 7.730) 10.045 16.805 ( -7.940 -0.000 -8.905) 11.931 17.011 ( -1.224 -0.000 4.901) 5.052 17.160 ( -1.068 -0.000 -3.784) 3.932 17.204 ( -0.744 -0.000 1.709) 1.864 17.751 ( -0.783 -0.000 1.378) 1.585 18.067 ( -1.851 -0.000 -0.539) 1.928 18.292 ( 2.147 0.000 0.078) 2.149 18.400 ( -2.690 -0.000 -5.350) 5.988 18.749 ( -3.220 -0.000 -4.080) 5.197 19.117 ( -7.771 -0.000 -4.908) 9.192 19.650 ( 3.675 0.000 2.364) 4.370 19.827 ( 0.852 0.000 0.175) 0.870 20.216 ( 3.605 0.000 -2.578) 4.432 20.385 ( 4.717 0.000 0.090) 4.718 21.582 ( -0.487 -0.000 0.313) 0.579 21.701 ( -1.237 -0.000 1.406) 1.873 21.746 ( -0.697 -0.000 -0.999) 1.218 21.897 ( 0.241 0.000 3.213) 3.222 27.696 ( -0.506 -0.000 0.158) 0.530 27.808 ( -0.176 -0.000 -0.609) 0.634 27.885 ( -0.356 -0.000 -0.870) 0.940 27.971 ( 0.461 0.000 1.103) 1.196 35.442 ( -2.986 -0.000 -2.199) 3.709 36.014 ( -3.721 -0.000 8.537) 9.313 36.447 ( -1.153 -0.000 -5.424) 5.545 37.125 ( 0.645 0.000 -3.772) 3.827 38.505 ( -0.674 -0.000 -0.303) 0.739 38.726 ( -0.043 -0.000 -0.608) 0.609 40.525 ( 3.747 0.000 -2.618) 4.571 40.882 ( -0.891 -0.000 -4.569) 4.655 ======================= Grid point 95 (44/150) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 0.950 2.764 -0.262) 2.934 1.019 ( -8.758 -10.341 2.410) 13.765 1.317 ( 1.369 1.078 -1.677) 2.419 1.456 ( -0.225 0.244 0.534) 0.629 1.658 ( 1.397 -0.598 -0.853) 1.743 1.824 ( -1.334 1.587 2.313) 3.106 1.860 ( -1.414 -0.240 1.795) 2.298 2.835 ( -2.402 -1.821 -0.469) 3.051 3.067 ( 2.632 4.381 0.038) 5.111 3.433 ( -8.302 6.417 1.515) 10.601 3.504 ( 6.475 1.318 9.099) 11.245 3.752 ( 2.383 -5.962 -5.026) 8.154 4.455 ( 4.863 18.688 -8.873) 21.251 4.726 ( 1.196 4.264 -2.385) 5.030 5.056 ( 2.829 6.131 -7.386) 10.007 5.431 ( -7.068 -6.333 -15.324) 18.025 5.531 ( 7.716 1.241 8.138) 11.283 5.862 ( 15.892 3.972 -0.087) 16.381 6.059 ( 4.745 -0.019 -5.442) 7.221 6.348 ( 5.139 -4.585 2.730) 7.408 6.471 ( 1.502 9.270 9.861) 13.617 6.626 ( -7.791 5.729 -8.001) 12.551 6.922 ( -5.061 -8.950 10.450) 14.660 7.100 ( 0.912 -3.396 -10.122) 10.716 7.335 ( -6.285 4.498 -6.155) 9.880 7.488 ( -8.946 -10.472 1.322) 13.837 8.015 ( -0.422 0.427 3.505) 3.556 8.131 ( -1.495 16.495 7.395) 18.139 8.316 ( -1.329 -12.959 14.126) 19.216 8.601 ( 0.605 -10.305 3.537) 10.912 9.086 ( 4.472 -3.993 -4.491) 7.491 9.527 ( -4.016 -2.594 -2.232) 5.276 10.019 ( -0.238 -1.217 1.070) 1.638 10.562 ( 0.559 -1.301 -0.195) 1.429 10.644 ( -5.381 -0.421 0.059) 5.397 10.783 ( 2.107 0.810 6.104) 6.508 11.435 ( 1.619 -1.483 -6.552) 6.910 11.751 ( -2.538 -0.926 1.594) 3.137 11.901 ( 1.525 1.718 -2.703) 3.547 12.158 ( -0.532 -0.748 3.249) 3.376 12.180 ( -0.099 -2.383 2.705) 3.606 12.449 ( 4.103 3.085 -1.345) 5.306 12.919 ( -0.360 4.579 -0.472) 4.617 13.421 ( 0.239 -0.822 -2.911) 3.034 13.746 ( 3.764 2.751 -2.056) 5.095 13.961 ( 3.478 1.656 0.792) 3.933 14.173 ( -3.310 1.306 -0.636) 3.615 14.202 ( -0.616 -3.447 -2.448) 4.272 14.551 ( -6.880 0.426 6.401) 9.407 14.964 ( -1.447 -4.066 0.104) 4.317 15.706 ( 0.930 13.193 1.442) 13.304 15.874 ( -1.005 -2.043 -0.091) 2.278 16.211 ( -0.187 -0.176 -2.007) 2.024 16.458 ( 3.050 -3.591 4.942) 6.828 16.740 ( -0.857 -6.457 -2.246) 6.890 16.971 ( -4.832 2.482 -0.598) 5.465 17.140 ( 1.481 4.598 4.238) 6.426 17.272 ( -1.008 -9.120 -1.154) 9.248 17.733 ( -0.774 3.053 2.799) 4.214 18.058 ( -0.308 -0.871 0.178) 0.941 18.332 ( 0.246 -5.244 1.185) 5.382 18.445 ( 2.906 -6.228 2.314) 7.252 18.704 ( 0.822 2.374 1.086) 2.737 19.015 ( -1.747 -0.483 -4.749) 5.083 19.655 ( 1.136 4.314 -0.641) 4.507 19.801 ( -0.735 4.339 -0.778) 4.469 20.175 ( 4.297 6.143 -4.453) 8.720 20.411 ( 0.817 -0.138 -1.909) 2.081 21.580 ( -0.397 0.003 0.310) 0.503 21.690 ( -0.953 1.319 0.725) 1.781 21.733 ( -0.339 -0.221 -0.805) 0.901 21.932 ( -1.348 -1.750 2.606) 3.417 27.700 ( -0.388 -0.983 0.289) 1.096 27.807 ( 0.085 -0.883 -0.564) 1.051 27.882 ( 0.241 -0.345 -0.150) 0.447 27.973 ( -0.292 1.058 0.373) 1.159 35.442 ( -0.266 -4.487 -0.343) 4.508 35.998 ( -7.291 -2.400 -3.564) 8.462 36.405 ( 3.181 8.230 7.747) 11.742 37.188 ( 2.353 -10.603 -2.359) 11.115 38.525 ( 0.387 -0.355 4.601) 4.631 38.749 ( 0.196 -2.774 1.194) 3.027 40.490 ( 3.322 3.656 -7.455) 8.943 40.785 ( 0.914 5.227 -7.784) 9.420 ======================= Grid point 96 (45/150) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 4.746 0.953 3.867) 6.196 1.141 ( -1.511 -10.601 0.214) 10.710 1.287 ( 0.738 0.816 -3.702) 3.862 1.466 ( -1.891 -1.454 4.048) 4.698 1.655 ( 0.675 0.762 -2.583) 2.776 1.780 ( -4.804 3.635 2.878) 6.676 1.891 ( 1.092 -3.452 1.373) 3.872 2.758 ( -8.512 -1.412 -6.094) 10.564 3.068 ( 7.668 8.113 3.830) 11.803 3.292 ( -4.245 6.680 2.823) 8.403 3.683 ( 9.560 9.884 16.213) 21.259 3.857 ( 6.774 -4.675 -1.792) 8.424 4.272 ( 15.823 9.705 -1.261) 18.605 4.611 ( -0.131 6.017 -1.919) 6.316 4.974 ( 3.845 6.394 -0.898) 7.515 5.311 ( -3.938 1.374 -4.723) 6.301 5.568 ( 6.319 11.049 3.148) 13.112 5.839 ( -6.713 1.440 -15.027) 16.522 6.003 ( 1.175 14.173 -2.016) 14.364 6.359 ( -7.919 9.121 12.245) 17.200 6.471 ( 2.278 -1.860 2.879) 4.116 6.561 ( 9.877 -10.228 0.746) 14.238 6.993 ( -5.236 7.279 -10.396) 13.729 7.115 ( -4.970 3.565 3.615) 7.105 7.267 ( 6.985 -15.967 5.960) 18.419 7.661 ( 1.202 -20.328 -2.736) 20.546 7.952 ( 1.890 7.248 6.387) 9.844 8.119 ( -2.426 -1.370 3.246) 4.278 8.423 ( -10.105 -7.627 -2.760) 12.958 8.879 ( 3.709 -3.792 8.644) 10.142 9.184 ( 5.963 -5.203 -1.568) 8.067 9.371 ( -15.028 -7.647 -12.752) 21.141 10.068 ( 1.855 -2.436 2.270) 3.811 10.543 ( -5.056 -1.937 -2.687) 6.044 10.628 ( -2.551 -2.680 1.413) 3.961 10.806 ( -3.380 0.968 3.796) 5.174 11.383 ( 0.291 -0.893 -8.074) 8.129 11.692 ( -6.905 -0.479 -5.050) 8.568 11.883 ( 4.156 1.690 -1.211) 4.647 12.208 ( 1.698 -2.156 0.810) 2.862 12.282 ( -0.461 -3.224 9.017) 9.587 12.425 ( 6.550 6.117 -0.046) 8.962 12.803 ( -5.220 4.622 -1.476) 7.126 13.411 ( -1.536 -1.213 -2.569) 3.230 13.610 ( -1.923 10.495 -9.143) 14.051 13.945 ( -0.838 4.570 0.875) 4.728 14.153 ( 0.275 -2.402 2.787) 3.690 14.310 ( 3.245 -7.137 0.938) 7.896 14.584 ( 1.924 0.548 5.828) 6.162 15.065 ( 3.876 -6.756 1.998) 8.041 15.492 ( 1.022 19.304 -1.520) 19.390 15.838 ( -5.658 -1.699 -4.429) 7.383 16.138 ( -9.448 -2.254 -4.840) 10.852 16.601 ( 4.264 -5.955 2.857) 7.861 16.816 ( -3.045 -3.053 1.255) 4.491 16.917 ( -0.196 -0.644 3.623) 3.685 17.129 ( 1.916 5.504 3.735) 6.922 17.356 ( -1.674 -9.756 -3.704) 10.569 17.765 ( 1.589 -1.835 6.566) 7.001 18.083 ( 0.370 -1.682 1.416) 2.230 18.481 ( 5.716 -3.789 7.033) 9.823 18.605 ( -0.255 -12.072 3.062) 12.457 18.727 ( 4.054 3.074 5.245) 7.307 19.008 ( 5.681 0.141 -2.235) 6.107 19.557 ( -1.143 7.804 -2.535) 8.285 19.672 ( -1.584 11.201 -1.556) 11.419 20.080 ( 3.849 6.257 -6.828) 10.029 20.369 ( -2.793 1.088 -2.812) 4.110 21.580 ( -0.293 -0.169 0.345) 0.483 21.666 ( -0.667 1.527 0.171) 1.675 21.730 ( 0.178 -0.064 -0.125) 0.227 21.958 ( -2.900 -2.516 1.308) 4.057 27.719 ( -0.006 -1.763 0.189) 1.773 27.820 ( 0.181 -1.378 -0.494) 1.476 27.894 ( 0.516 -0.428 0.487) 0.829 27.946 ( -1.003 1.894 -0.356) 2.173 35.541 ( 1.999 -8.057 1.118) 8.376 35.881 ( -5.379 -0.938 -8.420) 10.036 36.449 ( 2.753 7.674 14.576) 16.702 37.357 ( 2.848 -12.518 -3.142) 13.217 38.628 ( 2.581 -2.770 9.947) 10.643 38.822 ( 0.420 -4.721 2.706) 5.457 40.359 ( 2.612 7.310 -10.771) 13.276 40.627 ( 2.511 7.109 -10.534) 12.954 ======================= Grid point 97 (46/150) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 6.135 -1.446 6.096) 8.769 1.166 ( -2.572 1.810 -2.409) 3.961 1.266 ( 1.138 -1.959 -3.786) 4.412 1.544 ( -1.660 -3.524 6.180) 7.305 1.587 ( -2.064 5.712 -0.430) 6.089 1.714 ( -4.235 0.435 0.126) 4.259 2.026 ( 3.937 -9.848 3.768) 11.255 2.607 ( -7.872 0.332 -6.325) 10.104 3.058 ( 4.427 9.590 2.522) 10.859 3.186 ( -4.997 3.703 -1.745) 6.459 3.693 ( 14.165 11.882 1.690) 18.566 4.051 ( 7.080 3.249 18.119) 19.722 4.403 ( 11.678 5.422 0.903) 12.907 4.632 ( 7.795 4.455 10.246) 13.624 4.961 ( 3.085 1.938 3.970) 5.389 5.204 ( -3.833 2.449 5.485) 7.126 5.541 ( 4.943 4.718 4.132) 7.985 5.566 ( -3.322 1.149 -17.039) 17.398 5.846 ( 2.197 10.024 -1.200) 10.332 6.184 ( 1.613 17.806 2.380) 18.037 6.557 ( 4.656 3.962 6.104) 8.639 6.630 ( -14.816 3.895 -5.432) 16.255 6.952 ( 9.229 1.093 7.710) 12.075 7.112 ( -0.729 -10.975 2.127) 11.203 7.625 ( 4.758 -14.475 6.388) 16.522 7.891 ( 4.887 -6.595 3.263) 8.833 8.006 ( -3.637 -10.748 -2.384) 11.595 8.093 ( -1.731 2.344 -4.184) 5.099 8.346 ( -5.409 -3.166 -4.962) 7.994 8.704 ( -22.213 -7.243 -25.195) 34.361 9.247 ( 3.244 -3.878 -5.487) 7.461 9.377 ( -4.449 -3.962 6.116) 8.538 10.154 ( 3.364 -3.035 1.603) 4.806 10.467 ( -6.034 -0.879 -4.417) 7.529 10.661 ( -6.148 -4.090 3.727) 8.271 10.834 ( 0.980 -2.522 6.274) 6.832 11.323 ( 1.080 1.201 -5.665) 5.891 11.542 ( -7.171 1.602 -6.729) 9.964 11.938 ( 7.825 -0.921 0.662) 7.907 12.240 ( 0.272 -2.301 -3.354) 4.076 12.362 ( 1.536 0.835 2.994) 3.467 12.496 ( 8.153 2.173 8.386) 11.896 12.702 ( -4.870 0.718 0.370) 4.936 13.234 ( -7.543 10.921 -10.816) 17.122 13.460 ( -0.590 0.373 0.363) 0.786 13.870 ( -3.457 4.325 1.180) 5.661 14.197 ( -3.012 -0.246 1.109) 3.219 14.377 ( -2.759 -1.632 -1.768) 3.661 14.672 ( 8.107 1.935 3.201) 8.928 15.224 ( 5.262 -1.961 -1.260) 5.755 15.327 ( 8.926 5.216 4.608) 11.319 15.711 ( -12.107 -3.691 -9.545) 15.853 15.986 ( -10.909 -1.740 -6.089) 12.614 16.666 ( 3.910 5.278 -4.876) 8.180 16.770 ( -7.002 6.938 8.465) 12.993 17.028 ( 5.842 -3.589 3.373) 7.641 17.206 ( 1.527 -9.476 6.183) 11.418 17.429 ( -2.434 -9.318 -2.301) 9.902 17.918 ( 2.209 -4.813 5.560) 7.678 18.173 ( 4.596 -5.332 6.733) 9.741 18.617 ( 3.103 -1.635 3.139) 4.707 18.753 ( 4.449 5.548 6.885) 9.899 18.853 ( 0.927 -12.068 3.561) 12.617 19.058 ( 8.023 3.521 -0.013) 8.761 19.391 ( -4.281 8.523 -2.785) 9.936 19.482 ( 2.069 12.488 -0.885) 12.690 19.971 ( 2.159 4.340 -6.944) 8.468 20.283 ( -4.445 1.189 -2.962) 5.472 21.586 ( -0.111 -0.575 0.434) 0.729 21.641 ( -0.540 1.286 -0.014) 1.395 21.739 ( 0.795 0.048 0.941) 1.233 21.956 ( -4.102 -1.952 -0.294) 4.553 27.750 ( 0.705 -2.177 0.029) 2.289 27.832 ( -0.186 -1.056 -0.631) 1.244 27.899 ( -1.197 1.979 -0.033) 2.313 27.910 ( 0.400 -0.031 0.170) 0.435 35.698 ( 2.138 -8.868 1.506) 9.246 35.783 ( -0.463 -0.794 -5.976) 6.046 36.514 ( 0.001 6.207 13.646) 14.992 37.476 ( 1.843 -7.412 -5.317) 9.306 38.820 ( 4.004 -3.856 7.717) 9.511 38.944 ( 1.118 -7.055 6.680) 9.779 40.160 ( 1.770 9.211 -10.562) 14.126 40.478 ( 3.467 3.540 -10.332) 11.459 ======================= Grid point 98 (47/150) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 4.645 -2.728 5.182) 7.475 1.059 ( -2.823 3.445 -3.733) 5.812 1.283 ( 0.139 -3.022 -0.158) 3.030 1.488 ( -1.846 6.250 3.562) 7.427 1.606 ( -3.750 -0.934 5.718) 6.902 1.672 ( -1.449 0.784 -1.310) 2.105 2.271 ( 0.775 -11.875 4.723) 12.803 2.499 ( 0.303 -1.047 -4.096) 4.239 2.904 ( -10.316 6.653 -3.968) 12.901 3.108 ( 6.167 6.990 0.687) 9.347 3.799 ( 16.595 3.659 3.636) 17.378 4.122 ( -3.949 13.414 12.303) 18.625 4.400 ( 7.470 3.237 0.508) 8.157 4.709 ( 3.843 7.936 12.385) 15.203 5.022 ( -7.814 -10.197 -4.363) 13.567 5.427 ( 5.405 0.231 -5.347) 7.606 5.452 ( 5.871 -8.264 14.689) 17.848 5.644 ( 8.871 0.487 5.233) 10.310 5.755 ( 4.656 5.035 1.447) 7.009 6.058 ( 12.550 17.713 4.118) 22.096 6.310 ( -6.718 6.274 -10.297) 13.803 6.667 ( 2.237 2.870 11.897) 12.441 6.986 ( -1.480 2.933 5.700) 6.580 7.298 ( 3.642 -4.001 -0.246) 5.416 7.789 ( -0.334 -2.735 -1.803) 3.293 7.871 ( -19.055 -4.400 -15.679) 25.065 7.889 ( -14.214 -1.757 -2.848) 14.603 8.167 ( 11.262 -5.896 3.111) 13.087 8.378 ( -5.654 -7.780 -6.512) 11.615 8.431 ( -4.800 -8.559 -7.021) 12.066 9.231 ( 1.068 3.505 -5.256) 6.408 9.356 ( -6.457 -2.822 -4.031) 8.119 10.255 ( 3.222 -3.440 2.501) 5.336 10.373 ( -3.654 -1.521 -6.121) 7.290 10.644 ( -7.454 0.020 2.793) 7.960 10.988 ( 2.926 -4.768 5.761) 8.030 11.239 ( -1.626 3.123 -6.084) 7.029 11.420 ( -1.697 0.294 -2.989) 3.450 12.075 ( 8.383 -2.784 2.304) 9.128 12.226 ( -0.567 -1.819 -3.424) 3.918 12.394 ( 6.906 1.594 -1.498) 7.244 12.611 ( -0.680 0.529 5.054) 5.127 12.691 ( 3.970 0.535 -0.321) 4.019 12.924 ( -8.452 7.015 -4.938) 12.043 13.480 ( -2.632 -0.239 3.967) 4.766 13.783 ( -5.136 1.792 0.813) 5.500 14.128 ( -5.204 1.204 -0.048) 5.342 14.302 ( -0.925 4.534 -1.299) 4.806 14.783 ( 9.785 1.953 6.907) 12.135 15.264 ( 5.265 2.594 3.852) 7.021 15.469 ( -4.258 -0.457 -4.730) 6.381 15.545 ( -4.713 -7.335 -3.223) 9.296 15.918 ( -0.633 -6.704 -3.753) 7.709 16.461 ( -5.342 8.252 -9.462) 13.644 16.746 ( 1.646 3.191 5.086) 6.226 17.140 ( 3.660 1.505 6.244) 7.392 17.341 ( -3.728 -7.373 -5.017) 9.666 17.572 ( -1.662 -7.546 8.251) 11.304 17.983 ( -0.657 -0.682 1.045) 1.411 18.458 ( 8.914 -11.474 7.213) 16.222 18.639 ( 0.457 4.781 -1.735) 5.107 18.759 ( 3.937 2.815 1.121) 4.968 18.883 ( -1.677 10.544 0.654) 10.696 19.111 ( 5.001 0.474 2.720) 5.712 19.245 ( -3.217 -0.146 -4.322) 5.390 19.457 ( 3.705 -0.453 3.732) 5.278 19.903 ( 2.430 1.826 -2.130) 3.711 20.200 ( -3.492 0.368 -2.269) 4.180 21.602 ( -0.036 -1.054 0.541) 1.186 21.621 ( -0.456 0.915 0.026) 1.023 21.763 ( 1.152 0.300 2.265) 2.559 21.918 ( -4.156 -0.348 -1.211) 4.342 27.789 ( 1.035 -2.108 -0.073) 2.350 27.823 ( -0.417 0.773 -0.774) 1.171 27.866 ( -0.672 0.941 0.083) 1.160 27.919 ( 0.005 -0.320 0.268) 0.417 35.745 ( -0.292 -1.705 -1.583) 2.345 35.848 ( 2.745 -5.035 -0.169) 5.737 36.545 ( -2.402 3.319 8.661) 9.581 37.494 ( 1.906 -0.427 -4.962) 5.332 38.906 ( 2.109 -0.068 -0.184) 2.118 39.091 ( 1.320 -0.107 1.093) 1.717 40.032 ( 1.302 -0.953 -2.785) 3.219 40.441 ( 3.653 -4.185 -4.684) 7.266 ======================= Grid point 103 (48/150) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 3.340 0.000 2.481) 4.161 0.914 ( -1.370 -0.000 4.151) 4.371 1.307 ( -0.028 -0.000 -3.193) 3.193 1.449 ( -0.175 -0.000 -1.345) 1.356 1.660 ( -0.220 -0.000 0.475) 0.523 1.844 ( -4.267 -0.000 1.188) 4.429 1.850 ( 0.615 0.000 2.326) 2.406 2.722 ( -6.708 -0.000 -6.556) 9.380 3.176 ( 5.069 0.000 3.946) 6.424 3.370 ( -7.310 -0.000 -0.644) 7.339 3.775 ( 11.681 0.000 1.733) 11.809 3.810 ( 13.358 0.000 21.311) 25.151 4.603 ( -5.739 -0.000 -10.788) 12.219 4.618 ( 2.952 0.000 -3.939) 4.922 5.134 ( -3.302 -0.000 -9.970) 10.503 5.154 ( 11.598 0.000 -4.368) 12.394 5.719 ( 6.504 0.000 7.809) 10.163 5.921 ( -8.248 -0.000 -19.372) 21.055 6.058 ( 12.625 0.000 1.366) 12.698 6.423 ( 9.273 0.000 3.615) 9.953 6.581 ( 3.162 0.000 -4.387) 5.408 6.734 ( -13.658 -0.000 21.618) 25.571 6.783 ( -0.708 -0.000 -2.211) 2.322 7.021 ( 5.148 0.000 2.470) 5.710 7.268 ( -5.128 -0.000 -13.498) 14.439 7.327 ( 1.369 0.000 -0.330) 1.408 8.049 ( -19.189 -0.000 -2.619) 19.366 8.059 ( -0.683 -0.000 7.631) 7.661 8.410 ( 0.332 0.000 7.094) 7.101 8.834 ( 15.283 0.000 27.983) 31.885 9.104 ( 8.159 0.000 -0.192) 8.162 9.231 ( -22.554 -0.000 -23.776) 32.772 10.037 ( 1.079 0.000 3.154) 3.334 10.511 ( -3.818 -0.000 -3.327) 5.064 10.597 ( -3.299 -0.000 0.635) 3.359 10.828 ( -3.309 -0.000 3.645) 4.923 11.353 ( 0.710 0.000 -8.741) 8.770 11.681 ( -5.590 -0.000 -3.686) 6.696 11.918 ( 2.334 0.000 -1.077) 2.571 12.172 ( 1.952 0.000 0.083) 1.954 12.233 ( -1.221 -0.000 10.118) 10.191 12.520 ( 3.153 0.000 2.301) 3.904 12.876 ( -4.651 -0.000 -7.404) 8.743 13.397 ( 2.293 0.000 -3.150) 3.896 13.757 ( -0.865 -0.000 -3.029) 3.150 14.024 ( 1.128 0.000 -0.057) 1.130 14.077 ( -2.847 -0.000 -4.534) 5.354 14.208 ( 2.700 0.000 1.182) 2.948 14.596 ( -0.884 -0.000 10.394) 10.432 14.984 ( 4.406 0.000 4.434) 6.251 15.773 ( -5.790 -0.000 -1.895) 6.092 15.929 ( 5.525 0.000 -3.656) 6.625 16.101 ( -8.079 -0.000 -0.935) 8.133 16.337 ( -8.925 -0.000 -4.843) 10.155 16.816 ( 9.528 0.000 8.023) 12.456 16.920 ( -2.785 -0.000 -4.277) 5.104 17.183 ( -0.053 -0.000 0.949) 0.951 17.271 ( 1.977 0.000 7.833) 8.078 17.777 ( -0.837 -0.000 2.395) 2.537 18.063 ( 0.575 0.000 1.646) 1.744 18.333 ( 1.983 0.000 3.083) 3.666 18.461 ( 2.575 0.000 4.624) 5.292 18.785 ( 4.106 0.000 5.863) 7.158 19.006 ( 5.847 0.000 -1.312) 5.992 19.663 ( -2.485 -0.000 -1.914) 3.137 19.797 ( -0.887 -0.000 -3.713) 3.817 20.208 ( 2.161 0.000 -4.985) 5.433 20.376 ( -0.298 -0.000 -5.463) 5.471 21.579 ( -0.362 -0.000 0.311) 0.478 21.697 ( -1.208 -0.000 0.985) 1.559 21.720 ( 0.514 0.000 -1.398) 1.490 21.921 ( -2.712 -0.000 1.870) 3.294 27.694 ( -0.193 -0.000 0.465) 0.503 27.799 ( 0.640 0.000 -0.658) 0.918 27.885 ( 0.720 0.000 0.280) 0.772 27.973 ( -1.065 -0.000 -0.368) 1.127 35.425 ( 2.045 0.000 1.100) 2.322 35.852 ( -6.044 -0.000 -7.560) 9.679 36.605 ( 3.632 0.000 12.841) 13.345 37.142 ( 3.891 0.000 1.111) 4.046 38.596 ( 1.067 0.000 8.686) 8.752 38.754 ( 0.931 0.000 2.451) 2.622 40.447 ( 1.865 0.000 -11.464) 11.614 40.742 ( 2.994 0.000 -12.309) 12.668 ======================= Grid point 104 (49/150) ======================= q-point: (-0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 4.813 0.538 4.882) 6.877 1.043 ( 4.847 -7.228 3.428) 9.353 1.256 ( -0.871 0.808 -4.987) 5.126 1.444 ( -0.842 -2.496 -0.538) 2.689 1.649 ( -1.484 1.222 0.155) 1.929 1.783 ( -5.660 2.212 0.713) 6.119 1.905 ( 2.536 -1.351 4.181) 5.073 2.579 ( -8.090 -1.366 -7.977) 11.443 3.237 ( 3.542 3.406 0.963) 5.007 3.258 ( -7.546 1.550 -1.761) 7.903 3.912 ( 8.315 5.932 0.435) 10.223 4.092 ( 9.549 -1.213 8.164) 12.622 4.539 ( 10.465 3.259 6.436) 12.710 4.616 ( 0.601 -1.589 6.423) 6.644 5.018 ( -7.242 -1.578 -7.195) 10.330 5.239 ( 6.783 3.942 -0.579) 7.867 5.575 ( -8.339 -0.025 -15.820) 17.883 5.810 ( 4.979 13.080 5.239) 14.944 6.172 ( 5.367 8.850 -3.087) 10.801 6.356 ( -8.795 -4.207 0.472) 9.761 6.625 ( 18.154 -1.877 -0.405) 18.255 6.797 ( 3.325 12.625 24.088) 27.398 6.914 ( -0.693 -2.370 -13.598) 13.820 7.053 ( 1.365 1.233 -8.964) 9.151 7.181 ( -5.429 -13.501 18.095) 23.220 7.477 ( 9.818 -12.102 -3.193) 15.908 7.898 ( -12.430 -6.223 -1.528) 13.984 8.111 ( -3.086 -0.320 2.083) 3.737 8.434 ( -0.291 5.124 2.985) 5.937 8.618 ( -28.185 1.800 -27.442) 39.379 9.140 ( 6.627 -2.977 1.725) 7.467 9.302 ( 5.928 -1.989 14.026) 15.357 10.106 ( 2.866 -0.839 4.973) 5.801 10.445 ( -4.446 -0.673 -2.982) 5.396 10.586 ( -2.927 -1.396 4.967) 5.932 10.820 ( -1.767 0.636 3.571) 4.035 11.310 ( 3.056 -1.369 -6.098) 6.957 11.570 ( -6.372 0.469 -5.150) 8.206 11.939 ( 3.695 0.512 0.416) 3.753 12.188 ( 1.366 -1.248 -2.748) 3.313 12.334 ( -1.268 -1.623 10.387) 10.590 12.572 ( 3.071 2.131 5.868) 6.958 12.729 ( -6.402 0.921 -6.531) 9.191 13.384 ( 1.167 1.702 -3.156) 3.771 13.615 ( -5.108 8.177 -7.314) 12.101 13.951 ( -0.869 0.711 -6.237) 6.338 14.112 ( -2.170 -5.244 2.449) 6.181 14.247 ( -2.408 -3.189 -0.491) 4.027 14.722 ( 7.946 1.304 7.874) 11.262 15.110 ( 7.694 -2.279 4.000) 8.966 15.617 ( -6.268 7.114 -7.894) 12.338 15.694 ( -11.175 0.396 -15.276) 18.932 16.029 ( -4.317 9.917 3.522) 11.375 16.483 ( 2.587 -19.821 8.837) 21.855 16.816 ( -0.669 4.082 -3.001) 5.110 17.006 ( 5.295 -2.570 4.856) 7.630 17.242 ( 1.032 1.879 3.583) 4.175 17.308 ( 1.549 5.683 7.125) 9.245 17.801 ( 0.355 -2.641 4.471) 5.205 18.096 ( 1.127 -0.772 2.662) 2.992 18.429 ( -1.721 -12.092 -1.454) 12.300 18.603 ( 8.332 -2.006 9.388) 12.711 18.885 ( 4.830 2.969 7.548) 9.441 19.084 ( 7.013 0.048 0.969) 7.080 19.578 ( -4.400 3.845 -2.083) 6.204 19.710 ( -1.873 3.565 -6.071) 7.285 20.133 ( 2.695 5.629 -7.245) 9.562 20.299 ( -3.084 0.160 -6.191) 6.918 21.579 ( -0.280 -0.082 0.269) 0.397 21.681 ( -0.678 1.548 0.372) 1.731 21.725 ( 0.558 -1.004 -0.309) 1.190 21.908 ( -3.578 -1.188 0.792) 3.852 27.705 ( 0.230 -0.944 0.518) 1.101 27.806 ( 0.856 -0.628 -0.702) 1.273 27.901 ( 0.988 -0.307 0.475) 1.139 27.945 ( -1.513 0.969 -0.850) 1.988 35.506 ( 4.293 -4.433 1.984) 6.482 35.735 ( -3.358 -1.639 -7.683) 8.543 36.723 ( 2.327 7.188 14.810) 16.626 37.262 ( 3.600 -6.962 2.698) 8.289 38.724 ( 1.950 -2.464 11.504) 11.926 38.813 ( 1.381 -2.399 3.633) 4.568 40.320 ( 1.102 2.607 -13.762) 14.050 40.614 ( 5.142 4.352 -16.668) 17.978 ======================= Grid point 105 (50/150) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 4.658 -1.063 5.407) 7.215 1.135 ( -2.012 1.547 -2.919) 3.868 1.213 ( 2.733 -2.707 -3.225) 5.020 1.508 ( -0.360 -7.017 1.446) 7.173 1.596 ( -3.531 2.293 -0.394) 4.229 1.688 ( -6.259 3.066 1.172) 7.068 2.049 ( 7.215 -4.459 7.688) 11.447 2.451 ( -4.628 -2.399 -7.755) 9.344 3.050 ( -12.688 3.770 -5.168) 14.210 3.258 ( 4.378 4.445 -0.607) 6.269 3.856 ( 3.464 3.551 -3.832) 6.268 4.232 ( -3.866 -5.811 3.359) 7.745 4.588 ( 1.824 8.414 -2.315) 8.915 4.712 ( -9.114 -6.689 -6.617) 13.099 5.075 ( 10.628 -6.145 21.405) 24.676 5.187 ( 2.476 10.466 2.712) 11.091 5.471 ( 3.250 1.057 -2.576) 4.280 5.755 ( 6.481 9.589 7.800) 13.957 5.992 ( 1.740 13.530 -1.509) 13.724 6.258 ( -11.331 -0.748 -12.706) 17.041 6.656 ( 10.306 14.161 -9.755) 20.048 6.882 ( -1.390 9.937 15.617) 18.563 6.969 ( -6.237 -4.667 -4.700) 9.098 7.040 ( 11.192 -13.403 -0.007) 17.461 7.464 ( -5.855 -14.452 4.421) 16.207 7.745 ( 0.998 -12.073 -2.542) 12.378 7.844 ( -12.909 -2.927 -12.143) 17.963 7.871 ( -3.185 -7.446 -1.919) 8.323 8.303 ( -2.215 -3.661 -0.998) 4.394 8.450 ( 4.969 10.614 8.773) 14.640 9.239 ( 6.343 -0.708 -0.531) 6.404 9.378 ( -4.514 2.132 1.277) 5.152 10.202 ( 4.233 -0.449 5.376) 6.857 10.361 ( -4.035 -0.031 -4.319) 5.911 10.660 ( -1.606 1.400 9.103) 9.349 10.891 ( 3.326 -2.404 8.144) 9.120 11.305 ( 2.565 1.128 -4.243) 5.085 11.445 ( -4.535 1.252 -4.548) 6.543 12.011 ( 7.104 -1.847 1.032) 7.412 12.182 ( 0.784 -1.600 -4.531) 4.869 12.416 ( 0.336 0.531 4.272) 4.318 12.612 ( -3.418 -0.760 0.180) 3.506 12.676 ( 0.578 -0.745 7.624) 7.682 13.222 ( -5.320 12.394 -8.382) 15.880 13.452 ( -1.787 0.371 -1.118) 2.140 13.859 ( -3.973 2.558 -4.156) 6.293 14.142 ( -4.384 -1.185 -0.194) 4.546 14.234 ( -6.380 -7.748 -4.520) 11.007 14.833 ( 8.745 2.976 2.079) 9.468 15.254 ( 6.562 -2.581 0.163) 7.053 15.418 ( -13.201 -3.809 -12.647) 18.674 15.507 ( 2.302 1.675 2.555) 3.825 15.891 ( -1.794 7.927 0.931) 8.181 16.718 ( 0.622 5.001 -4.378) 6.675 16.851 ( -2.592 -6.248 11.680) 13.497 17.019 ( 3.920 4.714 -4.615) 7.674 17.237 ( 0.373 -9.005 3.316) 9.603 17.384 ( 2.675 4.441 11.898) 12.978 17.928 ( 1.229 -3.668 4.913) 6.253 18.207 ( 4.389 -6.862 6.809) 10.616 18.552 ( -0.617 -11.414 -3.492) 11.952 18.814 ( 4.572 -2.451 3.962) 6.527 18.946 ( 4.755 4.137 8.608) 10.669 19.144 ( 2.189 -0.024 0.943) 2.384 19.421 ( -6.176 8.898 -3.082) 11.262 19.562 ( -0.292 4.954 -8.281) 9.654 20.009 ( 2.769 6.230 -5.523) 8.774 20.201 ( -3.682 -0.235 -5.487) 6.612 21.582 ( -0.042 -0.420 0.247) 0.489 21.655 ( -0.465 1.650 0.074) 1.716 21.751 ( 0.652 -1.192 1.352) 1.916 21.889 ( -3.625 -1.358 -0.222) 3.877 27.734 ( 0.730 -1.762 0.527) 1.978 27.815 ( 0.680 -0.629 -0.968) 1.340 27.905 ( -1.359 1.348 -0.473) 1.972 27.918 ( 0.784 -0.004 0.208) 0.811 35.640 ( 2.406 -4.968 -0.207) 5.524 35.700 ( 2.763 -5.083 -3.557) 6.792 36.752 ( -1.306 10.451 13.440) 17.075 37.409 ( 2.737 -5.473 2.539) 6.625 38.882 ( 2.885 -1.350 4.453) 5.474 38.943 ( 0.909 -7.342 10.803) 13.093 40.142 ( 1.167 5.126 -14.775) 15.683 40.443 ( 6.052 3.512 -17.436) 18.788 ======================= Grid point 106 (51/150) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 1.604 -0.614 2.574) 3.095 1.029 ( -1.997 1.668 -4.007) 4.778 1.244 ( 0.765 -2.282 -0.872) 2.560 1.524 ( -4.788 1.419 1.330) 5.168 1.610 ( -1.581 -4.972 -1.456) 5.417 1.614 ( -3.790 -0.057 4.799) 6.115 2.236 ( 1.448 -1.046 1.941) 2.638 2.474 ( 9.651 -7.276 1.664) 12.200 2.819 ( -11.002 3.839 -3.858) 12.274 3.204 ( -1.123 2.803 -3.381) 4.533 3.819 ( -1.466 -2.039 -7.053) 7.487 4.214 ( -14.199 -6.784 -3.015) 16.023 4.422 ( 1.773 -0.187 -6.950) 7.175 4.719 ( -8.020 -4.965 1.139) 9.500 5.065 ( 0.880 14.840 9.989) 17.911 5.485 ( 6.758 1.136 2.584) 7.324 5.489 ( 3.531 -2.789 6.575) 7.967 5.768 ( -2.690 2.626 -6.283) 7.322 5.867 ( -3.887 0.365 -6.190) 7.318 5.984 ( 2.700 5.698 -2.609) 6.824 6.491 ( -2.641 3.671 -11.483) 12.341 6.711 ( -10.577 -5.196 -13.922) 18.240 6.887 ( -8.119 -0.987 3.634) 8.949 7.323 ( 6.704 -8.856 0.894) 11.143 7.551 ( -4.248 -4.463 1.349) 6.308 7.756 ( 3.748 6.255 16.869) 18.378 7.793 ( 2.571 0.046 -2.617) 3.669 8.202 ( 9.201 -14.244 4.401) 17.519 8.348 ( 3.099 1.178 5.844) 6.719 8.493 ( 7.818 9.282 12.549) 17.457 9.231 ( -6.794 2.293 -6.558) 9.717 9.290 ( 6.988 3.849 -1.710) 8.159 10.273 ( -2.105 0.670 -1.394) 2.612 10.331 ( 6.114 -0.496 2.668) 6.689 10.661 ( -3.944 4.285 6.644) 8.835 11.036 ( 2.134 0.840 4.395) 4.957 11.222 ( 0.184 3.144 -3.429) 4.656 11.388 ( 0.436 -0.582 -1.984) 2.113 12.128 ( 4.045 -2.453 -0.300) 4.740 12.172 ( 3.163 -1.777 -3.864) 5.300 12.443 ( 3.606 -1.267 -1.373) 4.061 12.593 ( -2.100 -0.034 -0.848) 2.264 12.782 ( 0.863 -1.365 7.806) 7.972 12.900 ( -7.157 12.071 -7.052) 15.705 13.475 ( -2.884 -2.313 4.249) 5.632 13.731 ( -4.937 1.085 -2.867) 5.811 14.103 ( -2.395 0.101 1.815) 3.007 14.245 ( -3.146 -7.491 -2.174) 8.411 14.912 ( 1.287 -1.213 2.129) 2.768 15.233 ( -5.600 -4.745 -7.364) 10.397 15.325 ( 2.696 -2.208 -1.530) 3.806 15.626 ( 3.116 3.843 8.891) 10.174 15.864 ( 7.212 -1.539 1.035) 7.447 16.505 ( -2.254 16.615 -7.559) 18.392 16.787 ( -3.854 0.575 -0.125) 3.899 17.066 ( -0.507 -5.761 -5.946) 8.294 17.449 ( 3.631 6.079 13.303) 15.070 17.517 ( -0.174 -10.664 9.579) 14.335 17.987 ( -0.185 -0.284 2.282) 2.307 18.456 ( 5.629 -9.525 5.796) 12.490 18.647 ( 1.358 -8.595 -4.495) 9.794 18.738 ( -4.035 7.679 -5.369) 10.202 19.007 ( -3.936 9.401 -0.253) 10.195 19.157 ( -2.260 -2.203 -0.922) 3.288 19.224 ( 2.107 3.925 1.517) 4.707 19.430 ( -0.655 0.709 -10.119) 10.165 19.968 ( 1.886 2.040 3.088) 4.154 20.136 ( -0.823 -1.344 -4.048) 4.344 21.594 ( 0.166 -0.799 0.233) 0.849 21.630 ( -0.529 1.287 0.105) 1.395 21.789 ( -0.571 -0.993 2.191) 2.472 21.871 ( -1.357 -0.707 0.288) 1.556 27.771 ( 0.609 -1.833 0.057) 1.933 27.821 ( 1.086 -0.443 -0.729) 1.381 27.875 ( -0.994 1.196 0.454) 1.620 27.920 ( 0.145 0.386 -0.186) 0.452 35.683 ( 1.106 -4.493 -2.467) 5.244 35.822 ( 4.460 -4.583 0.018) 6.395 36.678 ( -5.806 10.591 8.344) 14.680 37.513 ( 3.792 -0.650 3.652) 5.305 38.935 ( 1.480 0.976 1.206) 2.144 39.110 ( 0.319 -1.304 2.748) 3.058 39.961 ( 1.530 -0.244 -12.806) 12.900 40.368 ( 5.399 -3.824 -9.757) 11.789 ======================= Grid point 112 (52/150) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 3.741 0.000 4.719) 6.022 1.117 ( 7.177 0.000 4.171) 8.301 1.195 ( -0.842 -0.000 -6.060) 6.118 1.391 ( -1.504 -0.000 -2.833) 3.207 1.641 ( -3.340 -0.000 0.734) 3.420 1.734 ( -5.953 -0.000 -0.206) 5.956 1.999 ( 6.075 0.000 8.229) 10.229 2.408 ( -5.648 -0.000 -9.077) 10.690 3.101 ( -14.164 -0.000 -5.296) 15.122 3.321 ( 4.349 0.000 0.003) 4.349 3.973 ( -4.613 -0.000 -11.847) 12.714 4.062 ( -4.954 -0.000 0.880) 5.032 4.587 ( -4.291 -0.000 1.057) 4.419 4.748 ( -11.169 -0.000 -12.890) 17.056 4.908 ( 16.502 0.000 19.016) 25.178 5.405 ( 5.072 0.000 7.851) 9.347 5.474 ( 3.302 0.000 -0.746) 3.386 6.085 ( -14.334 -0.000 -2.284) 14.515 6.148 ( 13.209 0.000 8.056) 15.472 6.344 ( 3.387 0.000 -2.105) 3.988 6.677 ( -1.758 -0.000 -12.548) 12.670 6.688 ( 0.809 0.000 -6.628) 6.677 6.973 ( -8.645 -0.000 -16.167) 18.333 7.168 ( -2.031 -0.000 13.573) 13.724 7.199 ( 8.390 0.000 2.084) 8.645 7.480 ( 12.116 0.000 0.047) 12.116 7.743 ( -3.352 -0.000 -0.790) 3.444 7.842 ( -17.573 -0.000 -4.215) 18.071 8.256 ( -1.320 -0.000 1.938) 2.344 8.624 ( 3.786 0.000 8.251) 9.078 9.226 ( 6.797 0.000 0.992) 6.869 9.414 ( -1.047 -0.000 3.019) 3.195 10.206 ( 4.173 0.000 7.928) 8.959 10.361 ( -3.979 -0.000 -3.955) 5.610 10.686 ( 2.830 0.000 14.803) 15.071 10.865 ( 2.074 0.000 5.933) 6.285 11.309 ( 5.987 0.000 -2.942) 6.670 11.465 ( -5.125 -0.000 -4.353) 6.724 11.986 ( 3.477 0.000 1.368) 3.736 12.156 ( 0.911 0.000 -4.570) 4.660 12.418 ( -0.475 -0.000 10.835) 10.845 12.597 ( -5.877 -0.000 -6.495) 8.759 12.668 ( -0.443 -0.000 8.902) 8.913 13.394 ( 2.607 0.000 -3.205) 4.131 13.542 ( -9.631 -0.000 -5.727) 11.205 13.844 ( 2.431 0.000 -12.908) 13.135 14.031 ( -9.609 -0.000 1.566) 9.736 14.177 ( -5.164 -0.000 -2.250) 5.633 14.906 ( 10.307 0.000 4.268) 11.156 15.218 ( 9.092 0.000 1.643) 9.239 15.321 ( -15.326 -0.000 -19.302) 24.647 15.525 ( -7.294 -0.000 -4.062) 8.349 16.178 ( 0.349 0.000 1.198) 1.248 16.505 ( 8.191 0.000 19.750) 21.381 16.785 ( -3.979 -0.000 -3.582) 5.353 17.037 ( 3.403 0.000 -0.016) 3.403 17.390 ( 1.257 0.000 8.602) 8.693 17.440 ( 1.602 0.000 4.151) 4.449 17.827 ( 1.362 0.000 8.666) 8.773 18.130 ( 0.845 0.000 2.802) 2.926 18.294 ( 0.813 0.000 -4.980) 5.046 18.775 ( 8.949 0.000 8.532) 12.364 19.028 ( 3.475 0.000 7.017) 7.830 19.140 ( 0.454 0.000 1.699) 1.759 19.538 ( -4.288 -0.000 -1.683) 4.606 19.624 ( -3.588 -0.000 -9.786) 10.423 20.127 ( 3.880 0.000 -8.686) 9.513 20.196 ( -3.544 -0.000 -7.184) 8.011 21.577 ( -0.189 -0.000 0.185) 0.265 21.701 ( -1.329 -0.000 2.609) 2.928 21.711 ( 1.054 0.000 -1.608) 1.923 21.867 ( -3.546 -0.000 0.312) 3.559 27.709 ( 0.509 0.000 0.707) 0.872 27.806 ( 1.189 0.000 -0.900) 1.492 27.916 ( 1.337 0.000 0.398) 1.395 27.924 ( -1.571 -0.000 -1.087) 1.910 35.559 ( 6.873 0.000 2.604) 7.349 35.627 ( -1.177 -0.000 -6.654) 6.757 36.952 ( 1.578 0.000 16.319) 16.395 37.284 ( 1.458 0.000 4.798) 5.015 38.831 ( 0.457 0.000 11.831) 11.840 38.863 ( 2.681 0.000 4.832) 5.526 40.205 ( 0.821 0.000 -14.583) 14.606 40.520 ( 8.897 0.000 -24.304) 25.882 ======================= Grid point 113 (53/150) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 2.814 -1.099 3.765) 4.827 1.089 ( -2.675 1.969 -6.445) 7.250 1.214 ( 2.219 0.023 -0.077) 2.220 1.390 ( -1.559 -7.143 -2.971) 7.892 1.578 ( -6.101 2.529 0.573) 6.629 1.664 ( -5.651 1.265 0.953) 5.868 2.205 ( 10.927 -1.110 10.711) 15.341 2.312 ( 1.267 -4.100 -7.251) 8.426 2.871 ( -14.575 0.784 -6.825) 16.113 3.313 ( -3.019 4.098 -0.775) 5.149 3.790 ( -9.367 0.232 -9.201) 13.133 3.919 ( -18.614 -10.061 -8.279) 22.721 4.452 ( -4.626 0.492 -10.718) 11.684 4.698 ( -0.925 2.095 7.504) 7.846 5.185 ( 6.216 -5.222 -1.723) 8.300 5.489 ( -0.293 4.635 13.601) 14.372 5.542 ( 3.325 0.998 4.622) 5.780 5.797 ( -21.452 0.020 -24.100) 32.265 6.033 ( -19.074 5.366 -13.428) 23.935 6.202 ( -8.389 8.646 -5.239) 13.137 6.426 ( -8.147 7.539 -13.657) 17.599 6.634 ( -2.545 -9.429 -5.381) 11.150 6.896 ( 8.889 -13.317 0.274) 16.013 7.119 ( 2.749 9.669 2.373) 10.329 7.441 ( 12.621 -4.792 4.676) 14.287 7.744 ( 9.529 -5.628 2.539) 11.354 7.841 ( 14.898 -4.645 11.175) 19.194 7.935 ( 4.579 2.312 19.098) 19.774 8.332 ( 7.523 -0.586 6.727) 10.109 8.739 ( 6.322 6.147 13.698) 16.290 9.232 ( -5.246 -0.622 -3.926) 6.582 9.415 ( 7.284 3.106 -1.120) 7.998 10.293 ( -1.615 0.596 -1.719) 2.433 10.333 ( 5.145 0.324 7.064) 8.745 10.784 ( -1.350 3.609 7.436) 8.375 11.027 ( 7.137 -0.396 12.984) 14.821 11.325 ( -0.337 2.377 -1.474) 2.817 11.396 ( 2.600 0.834 -3.734) 4.626 12.059 ( 5.381 -2.211 0.770) 5.868 12.125 ( 1.565 -1.267 -5.705) 6.050 12.454 ( -2.686 2.506 -0.752) 3.750 12.556 ( -1.611 -3.037 4.880) 5.969 12.744 ( -3.201 -0.563 9.762) 10.289 13.256 ( -7.354 12.014 -7.041) 15.748 13.417 ( -0.852 -0.816 -0.732) 1.388 13.771 ( -0.921 -1.231 -10.734) 10.843 13.958 ( -10.626 -8.907 -2.560) 14.099 14.102 ( -3.832 -0.532 -1.775) 4.257 14.940 ( -0.696 2.982 -2.088) 3.706 15.069 ( -9.342 -6.558 -11.804) 16.420 15.313 ( 6.122 3.057 0.381) 6.853 15.536 ( 4.153 -6.959 4.834) 9.436 16.129 ( 5.419 13.844 6.235) 16.121 16.688 ( -2.862 -0.414 -5.390) 6.117 16.857 ( 2.806 -6.128 12.574) 14.266 17.115 ( 0.044 -8.888 5.995) 10.721 17.195 ( -1.085 18.462 -6.939) 19.753 17.572 ( 1.970 -3.051 7.391) 8.235 17.971 ( 1.500 -0.273 8.839) 8.970 18.226 ( 3.408 -6.554 7.245) 10.347 18.337 ( 1.705 -9.830 -6.374) 11.839 18.884 ( -0.323 2.671 1.280) 2.979 19.104 ( 2.519 -0.203 4.862) 5.480 19.150 ( -0.595 1.391 3.229) 3.565 19.410 ( -7.218 6.161 -6.496) 11.501 19.476 ( -3.065 0.417 -10.522) 10.968 20.060 ( 2.567 3.867 -5.728) 7.372 20.106 ( 0.121 -0.803 -7.176) 7.222 21.580 ( 0.081 -0.247 0.180) 0.316 21.678 ( -0.475 2.251 0.336) 2.324 21.745 ( -0.883 -2.229 2.569) 3.515 21.842 ( -2.229 -0.987 0.185) 2.445 27.730 ( 0.761 -0.970 0.649) 1.393 27.810 ( 1.177 -0.213 -1.149) 1.659 27.897 ( -1.140 0.388 -0.620) 1.355 27.932 ( 1.115 0.281 0.161) 1.161 35.582 ( 0.953 -2.178 -4.762) 5.322 35.697 ( 8.188 -3.561 2.427) 9.253 37.017 ( -2.676 12.884 13.874) 19.122 37.400 ( 1.025 -7.585 6.682) 10.160 38.942 ( 1.705 -0.176 5.704) 5.955 38.977 ( 0.406 -4.510 10.260) 11.215 40.058 ( 1.723 3.234 -15.622) 16.045 40.344 ( 11.380 1.174 -29.714) 31.840 ======================= Grid point 114 (54/150) ======================= q-point: (-0.12 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -0.690 2.227 -1.599) 2.827 0.980 ( -1.225 -1.249 -3.440) 3.859 1.207 ( -2.790 -2.681 -1.455) 4.134 1.433 ( -4.407 -4.028 -5.839) 8.351 1.512 ( -5.269 -5.413 4.392) 8.738 1.613 ( -4.292 0.853 3.008) 5.310 2.263 ( 5.031 0.221 -5.266) 7.287 2.575 ( 13.362 -6.545 9.049) 17.414 2.690 ( -6.337 -1.848 -1.788) 6.839 3.092 ( -17.220 4.508 -7.569) 19.343 3.594 ( -13.697 -5.417 -11.184) 18.494 3.877 ( -7.779 -9.738 -4.146) 13.135 4.321 ( -3.447 -2.308 -10.075) 10.895 4.627 ( -16.676 -0.002 -9.123) 19.008 4.983 ( -31.204 -12.209 -29.965) 44.952 5.201 ( -4.810 2.817 -8.563) 10.218 5.565 ( -0.260 3.378 -3.137) 4.618 5.692 ( -0.663 -1.367 10.154) 10.267 5.809 ( -22.369 -14.243 -4.597) 26.914 6.065 ( 6.261 9.371 9.524) 14.755 6.240 ( 1.351 6.994 -4.319) 8.330 6.687 ( 1.199 -3.159 -1.754) 3.808 6.981 ( 0.944 11.095 9.540) 14.663 7.181 ( 2.625 -10.221 -3.964) 11.273 7.650 ( 17.374 1.520 0.967) 17.467 7.851 ( 8.699 3.275 0.352) 9.301 7.990 ( -1.647 2.271 5.944) 6.573 8.293 ( 13.804 -2.684 13.873) 19.754 8.579 ( 16.064 -1.714 11.442) 19.797 8.875 ( 6.994 10.303 21.013) 24.425 9.137 ( -1.171 -0.092 -2.663) 2.911 9.442 ( 9.451 5.798 -1.286) 11.162 10.255 ( -0.003 1.211 -1.829) 2.193 10.463 ( 7.157 0.604 6.643) 9.784 10.753 ( -3.719 4.914 5.114) 8.008 11.145 ( 0.889 9.104 0.523) 9.162 11.266 ( 1.826 0.644 3.714) 4.188 11.390 ( 4.403 1.137 -1.621) 4.827 12.074 ( -1.047 -1.492 -5.415) 5.713 12.184 ( 7.281 -2.896 -2.170) 8.131 12.399 ( -1.675 -1.986 -4.452) 5.155 12.583 ( -2.088 0.674 1.017) 2.418 12.812 ( -3.771 -1.916 8.929) 9.880 12.937 ( -6.911 12.716 -6.328) 15.796 13.453 ( -1.739 -2.711 4.446) 5.490 13.656 ( -2.562 -0.393 -5.587) 6.159 14.018 ( -4.852 -14.884 -2.289) 15.821 14.109 ( 0.431 -2.106 3.827) 4.389 14.792 ( -14.145 -1.031 -6.999) 15.816 15.138 ( 5.556 -11.103 7.065) 14.285 15.313 ( 4.023 3.393 -3.035) 6.075 15.762 ( 5.572 -4.896 7.825) 10.782 16.094 ( 10.579 12.954 7.437) 18.304 16.628 ( -0.380 1.633 -2.810) 3.272 16.725 ( -8.133 15.213 -6.573) 18.460 17.004 ( 1.611 2.091 -3.758) 4.593 17.428 ( 0.417 -14.420 10.837) 18.043 17.682 ( 2.203 1.007 7.488) 7.870 18.031 ( 0.248 1.803 5.509) 5.802 18.410 ( -0.542 -12.303 -8.128) 14.755 18.461 ( 4.370 -6.926 7.119) 10.851 18.779 ( -3.675 6.073 -1.838) 7.332 18.974 ( -11.968 11.657 -14.054) 21.832 19.068 ( -6.496 -0.057 -7.640) 10.028 19.311 ( 0.091 3.678 -3.040) 4.773 19.337 ( 1.765 -1.058 -2.206) 3.017 20.004 ( -1.610 0.374 -1.198) 2.041 20.098 ( 4.574 -1.753 -2.035) 5.304 21.589 ( 0.302 -0.550 0.197) 0.658 21.646 ( -0.862 1.851 0.329) 2.068 21.765 ( -3.076 -0.878 1.200) 3.416 21.881 ( 1.724 -2.286 4.142) 5.035 27.757 ( 0.851 -1.319 -0.108) 1.573 27.821 ( 1.452 -0.837 -0.509) 1.752 27.880 ( -0.988 0.454 0.512) 1.202 27.931 ( 0.333 1.109 -0.261) 1.187 35.610 ( 2.262 -4.986 -2.954) 6.221 35.843 ( 6.572 -2.009 1.550) 7.045 36.845 ( -9.822 16.089 5.992) 19.779 37.611 ( 5.621 -4.215 11.413) 13.402 38.991 ( 0.655 2.401 3.220) 4.070 39.114 ( -0.920 -2.343 3.593) 4.387 39.817 ( 3.301 2.887 -25.698) 26.069 40.254 ( 9.361 -6.501 -16.986) 20.455 ======================= Grid point 121 (55/150) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 1.305 0.000 1.195) 1.770 1.007 ( -1.661 -0.000 -9.083) 9.234 1.190 ( -9.684 -0.000 -0.521) 9.698 1.250 ( -5.747 -0.000 -5.028) 7.636 1.541 ( -4.972 -0.000 0.238) 4.978 1.628 ( -4.444 -0.000 1.822) 4.803 2.202 ( 1.961 0.000 -9.444) 9.645 2.479 ( 14.800 0.000 12.626) 19.454 2.672 ( -10.233 -0.000 -2.823) 10.616 3.221 ( -21.314 -0.000 -2.660) 21.479 3.523 ( -9.707 -0.000 -4.469) 10.687 3.698 ( -4.819 -0.000 -5.937) 7.647 4.305 ( -3.785 -0.000 -11.638) 12.238 4.566 ( -60.089 -0.000 -61.697) 86.124 4.811 ( -2.520 -0.000 11.724) 11.992 5.220 ( -4.552 -0.000 -10.985) 11.891 5.628 ( 0.254 0.000 5.660) 5.665 5.628 ( -20.645 -0.000 -8.101) 22.178 5.679 ( -1.143 -0.000 6.816) 6.911 6.205 ( -8.950 -0.000 -12.398) 15.291 6.461 ( -5.035 -0.000 4.083) 6.482 6.540 ( 2.041 0.000 9.034) 9.262 7.048 ( 22.423 0.000 4.013) 22.779 7.151 ( -0.542 -0.000 -5.962) 5.986 7.649 ( 14.571 0.000 8.313) 16.775 7.855 ( 12.984 0.000 3.460) 13.438 8.068 ( -1.666 -0.000 8.444) 8.607 8.257 ( 27.774 0.000 21.503) 35.125 8.544 ( 14.453 0.000 6.147) 15.706 9.041 ( 8.494 0.000 23.463) 24.953 9.114 ( -4.736 -0.000 -4.957) 6.856 9.523 ( 9.991 0.000 -1.998) 10.189 10.270 ( 0.391 0.000 -1.655) 1.701 10.472 ( 5.579 0.000 7.792) 9.583 10.826 ( -3.912 -0.000 2.670) 4.736 11.241 ( 7.308 0.000 12.560) 14.531 11.298 ( -3.833 -0.000 -0.236) 3.841 11.458 ( 9.406 0.000 -3.489) 10.032 12.065 ( 1.328 0.000 -8.105) 8.213 12.103 ( 5.360 0.000 -0.123) 5.362 12.393 ( -5.557 -0.000 -3.191) 6.408 12.595 ( -1.220 -0.000 4.070) 4.249 12.788 ( -4.749 -0.000 9.652) 10.758 13.172 ( -12.285 -0.000 -5.186) 13.335 13.434 ( 3.140 0.000 1.312) 3.403 13.624 ( 1.548 0.000 -14.193) 14.277 13.760 ( -10.806 -0.000 -0.179) 10.808 14.046 ( -1.500 -0.000 -1.166) 1.900 14.817 ( -13.119 -0.000 4.979) 14.032 14.915 ( -5.363 -0.000 -5.608) 7.760 15.490 ( 10.783 0.000 3.367) 11.296 15.546 ( 4.876 0.000 4.705) 6.776 16.383 ( 10.737 0.000 6.571) 12.588 16.577 ( -6.576 -0.000 -4.510) 7.974 17.018 ( -3.763 -0.000 -1.749) 4.149 17.037 ( 5.363 0.000 16.906) 17.736 17.380 ( -3.289 -0.000 -0.633) 3.349 17.431 ( 2.157 0.000 -8.786) 9.046 18.060 ( -0.684 -0.000 4.370) 4.423 18.272 ( 4.449 0.000 -2.928) 5.326 18.319 ( 4.537 0.000 13.366) 14.115 18.843 ( -11.863 -0.000 0.602) 11.878 19.068 ( -5.387 -0.000 -6.650) 8.558 19.229 ( 6.103 0.000 -7.421) 9.608 19.300 ( -5.479 -0.000 -6.957) 8.855 19.359 ( -2.858 -0.000 -3.257) 4.333 20.008 ( -2.132 -0.000 -5.077) 5.506 20.092 ( 7.398 0.000 -7.393) 10.459 21.582 ( 0.254 0.000 0.247) 0.354 21.688 ( -0.544 -0.000 -1.524) 1.618 21.760 ( -2.632 -0.000 8.903) 9.284 21.815 ( -1.016 -0.000 -0.034) 1.016 27.738 ( 0.921 0.000 0.403) 1.006 27.809 ( 1.165 0.000 -1.316) 1.758 27.884 ( -0.700 -0.000 -0.308) 0.765 27.948 ( 1.052 0.000 0.041) 1.053 35.538 ( 1.988 0.000 -3.916) 4.392 35.804 ( 9.758 0.000 3.350) 10.317 37.308 ( -4.498 -0.000 0.656) 4.545 37.317 ( -1.170 -0.000 21.483) 21.514 39.013 ( -2.484 -0.000 8.285) 8.650 39.040 ( 2.476 0.000 6.366) 6.831 39.982 ( 2.485 0.000 -10.643) 10.929 40.109 ( 17.554 0.000 -51.710) 54.608 ======================= Grid point 122 (56/150) ======================= q-point: (-0.12 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -1.355 2.951 -8.187) 8.807 0.880 ( -4.290 -4.535 -5.887) 8.581 1.016 ( -17.548 -4.123 -1.782) 18.114 1.219 ( -9.053 -11.474 -3.440) 15.015 1.473 ( -3.673 2.718 1.991) 4.984 1.609 ( -3.095 0.268 2.935) 4.274 2.182 ( 1.375 -7.508 -9.734) 12.370 2.530 ( -7.088 -2.870 -1.551) 7.803 2.844 ( -4.732 3.223 -1.623) 5.951 2.859 ( -3.710 6.274 -0.205) 7.292 3.257 ( -33.752 -3.678 -31.859) 46.559 3.508 ( -16.573 -12.000 -10.039) 22.792 3.794 ( -13.068 -14.927 -2.157) 19.955 4.163 ( -4.795 -2.434 -11.086) 12.321 4.854 ( -4.529 3.073 8.495) 10.105 5.088 ( -5.266 -0.827 -7.171) 8.935 5.335 ( -17.241 -2.161 -10.763) 20.440 5.639 ( -2.712 2.191 -1.828) 3.937 5.710 ( -8.171 0.254 7.263) 10.935 6.071 ( -3.448 -10.056 -5.811) 12.116 6.354 ( -4.237 9.573 4.320) 11.325 6.703 ( 3.733 -1.083 7.433) 8.388 7.106 ( 3.328 -1.133 -5.220) 6.294 7.265 ( 13.239 5.359 5.396) 15.268 7.811 ( 4.307 -2.260 1.804) 5.187 8.008 ( 11.812 4.855 0.984) 12.809 8.144 ( 8.452 7.795 9.598) 14.977 8.609 ( 10.624 7.410 7.919) 15.182 8.763 ( 11.136 -3.204 4.785) 12.537 9.087 ( 7.510 0.975 3.719) 8.437 9.348 ( 8.450 2.104 21.207) 22.925 9.581 ( 9.004 2.577 -2.936) 9.815 10.264 ( 2.189 0.764 -1.465) 2.742 10.606 ( 6.513 0.154 6.382) 9.120 10.773 ( -5.757 1.519 0.820) 6.010 11.251 ( -1.310 3.459 -0.667) 3.759 11.352 ( 3.767 9.165 -0.529) 9.923 11.497 ( 9.121 0.883 1.652) 9.311 11.980 ( -1.916 -0.497 -7.472) 7.729 12.183 ( 5.415 -4.916 -4.266) 8.467 12.302 ( -3.523 0.218 -3.965) 5.308 12.534 ( -7.698 -0.050 -2.939) 8.240 12.852 ( -1.848 -0.365 8.621) 8.824 12.936 ( -9.913 8.164 -4.239) 13.523 13.471 ( 0.971 -0.060 3.329) 3.468 13.564 ( 0.206 -2.359 -4.833) 5.382 13.768 ( -4.620 -11.897 0.942) 12.797 14.108 ( 4.730 -8.065 1.737) 9.510 14.610 ( -16.599 10.255 0.675) 19.523 15.099 ( -0.880 -19.942 23.007) 30.460 15.489 ( 8.001 10.802 3.202) 13.819 15.791 ( 6.910 -9.885 5.417) 13.222 16.443 ( 2.245 6.884 1.531) 7.401 16.531 ( 2.931 2.386 1.986) 4.270 16.860 ( -2.389 12.571 -3.345) 13.226 17.072 ( 2.024 13.466 -7.380) 15.488 17.369 ( 0.820 -11.838 12.669) 17.359 17.605 ( 0.995 -15.540 -3.658) 15.995 18.088 ( -1.561 -1.346 3.228) 3.830 18.288 ( 3.012 -0.042 -1.923) 3.573 18.510 ( 2.838 -3.512 8.268) 9.420 18.706 ( -13.397 -1.881 -0.335) 13.533 18.870 ( -9.247 0.623 -12.627) 15.663 18.896 ( -4.814 20.365 -26.695) 33.919 19.249 ( -4.162 -0.202 -2.652) 4.939 19.363 ( 4.972 -1.665 -7.447) 9.108 19.955 ( -0.996 -0.956 -3.181) 3.468 20.121 ( 4.805 -1.347 -0.476) 5.013 21.590 ( 0.321 -0.265 0.338) 0.536 21.658 ( -1.019 1.083 -0.543) 1.583 21.760 ( -3.025 3.099 3.465) 5.546 21.915 ( 1.419 -5.251 10.159) 11.523 27.754 ( 1.210 -0.637 -0.188) 1.381 27.816 ( 1.165 -0.991 -0.789) 1.721 27.878 ( -0.740 -0.057 0.571) 0.937 27.948 ( 0.348 1.154 -0.274) 1.236 35.553 ( 2.606 -3.208 -2.380) 4.769 35.938 ( 8.134 0.550 3.049) 8.704 37.002 ( -13.382 23.046 -0.071) 26.649 37.719 ( 7.567 -15.233 20.589) 26.706 39.054 ( -2.190 1.156 3.747) 4.491 39.113 ( -0.041 -0.579 3.370) 3.420 39.566 ( 8.509 7.446 -60.426) 61.475 40.056 ( 9.638 -13.026 -16.197) 22.911 ======================= Grid point 130 (57/150) ======================= q-point: (-0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -20.216 -0.000 -6.530) 21.244 0.628 ( -17.947 -0.000 -13.600) 22.518 0.782 ( -21.540 -0.000 1.794) 21.615 1.022 ( -5.476 -0.000 1.528) 5.685 1.478 ( -4.339 -0.000 -3.973) 5.883 1.611 ( -2.450 -0.000 3.083) 3.938 1.728 ( -60.266 -0.000 -51.040) 78.975 2.023 ( -3.426 -0.000 -4.449) 5.615 2.674 ( -1.220 -0.000 20.824) 20.860 2.936 ( 2.194 0.000 2.207) 3.112 3.138 ( 12.998 0.000 9.653) 16.190 3.410 ( -8.426 -0.000 3.682) 9.196 3.639 ( -2.899 -0.000 1.817) 3.421 4.011 ( -4.395 -0.000 -5.321) 6.901 4.871 ( -5.454 -0.000 1.417) 5.635 4.969 ( -4.892 -0.000 -1.765) 5.200 5.080 ( -11.698 -0.000 -5.105) 12.763 5.603 ( -4.069 -0.000 -4.213) 5.857 5.744 ( -3.289 -0.000 2.547) 4.159 5.846 ( -5.159 -0.000 -1.028) 5.260 6.381 ( -5.507 -0.000 2.027) 5.868 6.851 ( 6.304 0.000 6.753) 9.238 7.091 ( 4.023 0.000 -3.882) 5.590 7.457 ( 11.619 0.000 -0.304) 11.623 7.787 ( -4.009 -0.000 0.716) 4.072 8.199 ( 10.249 0.000 0.786) 10.279 8.455 ( 13.945 0.000 9.182) 16.696 8.765 ( 4.441 0.000 -3.045) 5.384 8.828 ( 1.239 0.000 1.251) 1.761 9.303 ( 13.574 0.000 5.896) 14.799 9.558 ( 2.004 0.000 6.877) 7.163 9.654 ( 6.662 0.000 -0.042) 6.662 10.291 ( 4.192 0.000 -1.198) 4.360 10.713 ( -6.617 -0.000 0.381) 6.628 10.725 ( 4.798 0.000 4.582) 6.634 11.239 ( -0.583 -0.000 -3.228) 3.280 11.368 ( -0.371 -0.000 -30.711) 30.713 11.626 ( 8.718 0.000 10.703) 13.804 11.903 ( -1.595 -0.000 -2.393) 2.875 12.053 ( -8.511 -0.000 -7.364) 11.254 12.304 ( 5.736 0.000 -0.551) 5.763 12.403 ( -6.636 -0.000 0.370) 6.646 12.841 ( -10.204 -0.000 -3.019) 10.641 12.915 ( -1.659 -0.000 6.481) 6.690 13.470 ( 1.538 0.000 -2.925) 3.305 13.576 ( 1.351 0.000 4.107) 4.324 13.666 ( -3.645 -0.000 3.051) 4.753 14.097 ( 7.856 0.000 1.517) 8.001 14.622 ( -13.448 -0.000 -2.762) 13.729 15.383 ( 11.445 0.000 86.126) 86.883 15.707 ( 1.602 0.000 3.056) 3.450 15.816 ( 10.346 0.000 8.407) 13.331 16.342 ( -9.812 -0.000 -0.071) 9.812 16.763 ( 13.360 0.000 -3.268) 13.754 16.890 ( -1.545 -0.000 -0.764) 1.724 17.161 ( 2.540 0.000 -17.700) 17.881 17.345 ( -3.695 -0.000 6.355) 7.351 17.476 ( 6.004 0.000 4.806) 7.690 18.070 ( -2.882 -0.000 1.063) 3.072 18.283 ( -3.865 -0.000 -5.634) 6.832 18.501 ( -7.227 -0.000 -24.553) 25.594 18.535 ( -1.687 -0.000 -1.818) 2.480 18.679 ( -7.792 -0.000 -44.483) 45.160 18.716 ( -3.982 -0.000 -2.809) 4.873 19.181 ( -3.202 -0.000 1.340) 3.471 19.246 ( -3.170 -0.000 -7.979) 8.586 19.914 ( -0.419 -0.000 -1.656) 1.709 20.160 ( 3.274 0.000 1.396) 3.559 21.595 ( 0.180 0.000 0.536) 0.565 21.646 ( -0.758 -0.000 -0.651) 0.999 21.814 ( 0.375 0.000 0.111) 0.391 22.054 ( 3.490 0.000 26.219) 26.451 27.760 ( 1.390 0.000 -0.584) 1.507 27.813 ( 0.934 0.000 -0.290) 0.978 27.875 ( -0.836 -0.000 0.605) 1.032 27.954 ( -0.148 -0.000 -0.888) 0.900 35.542 ( 2.527 0.000 -1.060) 2.741 36.064 ( 6.688 0.000 3.567) 7.580 37.163 ( -3.898 -0.000 -4.060) 5.628 37.638 ( -2.583 -0.000 -31.846) 31.951 38.827 ( -7.505 -0.000 -73.589) 73.970 39.046 ( -4.015 -0.000 3.418) 5.273 39.142 ( 0.194 0.000 -0.205) 0.283 39.934 ( 3.006 0.000 -0.149) 3.009 ======================= Grid point 131 (58/150) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 11.197 0.000 2.288) 11.428 0.941 ( -4.426 -0.000 -1.245) 4.598 1.165 ( 2.769 0.000 15.137) 15.388 1.203 ( 0.971 0.000 19.143) 19.168 1.580 ( -5.557 -0.000 6.914) 8.870 1.708 ( -2.847 -0.000 4.871) 5.642 2.262 ( 13.562 0.000 11.600) 17.846 2.493 ( 1.916 0.000 2.792) 3.386 2.993 ( -16.627 -0.000 -10.153) 19.482 3.115 ( -12.466 -0.000 -4.125) 13.131 3.350 ( 4.072 0.000 16.866) 17.351 3.572 ( 16.978 0.000 18.216) 24.901 4.087 ( 26.857 0.000 56.601) 62.650 4.189 ( 1.303 0.000 -0.521) 1.403 4.723 ( 8.623 0.000 10.036) 13.231 5.243 ( 9.962 0.000 12.010) 15.604 5.401 ( 4.931 0.000 19.363) 19.981 5.439 ( 1.873 0.000 -0.503) 1.940 5.606 ( -1.917 -0.000 -2.352) 3.034 6.098 ( 1.486 0.000 -7.349) 7.497 6.286 ( -9.705 -0.000 -23.188) 25.137 6.320 ( 2.870 0.000 12.087) 12.423 7.113 ( 2.259 0.000 -0.803) 2.398 7.581 ( 7.541 0.000 -5.550) 9.363 7.713 ( -10.289 -0.000 6.832) 12.350 7.998 ( -2.874 -0.000 -9.104) 9.547 8.022 ( -16.425 -0.000 -23.604) 28.756 8.640 ( 2.341 0.000 -10.188) 10.454 8.750 ( -10.107 -0.000 -11.734) 15.487 8.965 ( 2.600 0.000 -8.311) 8.708 9.013 ( -10.410 -0.000 -8.000) 13.129 9.641 ( -7.109 -0.000 -14.610) 16.247 10.388 ( 5.693 0.000 0.765) 5.744 10.605 ( -9.945 -0.000 -10.685) 14.597 10.747 ( -5.852 -0.000 4.013) 7.095 10.960 ( 7.920 0.000 -5.726) 9.773 11.346 ( 11.788 0.000 -2.131) 11.979 11.418 ( -12.914 -0.000 -7.710) 15.040 12.062 ( 12.423 0.000 1.423) 12.505 12.128 ( 6.846 0.000 1.911) 7.108 12.358 ( -0.161 -0.000 -1.952) 1.959 12.606 ( -6.401 -0.000 -2.823) 6.996 12.832 ( 6.124 0.000 6.355) 8.825 13.045 ( -15.014 -0.000 4.702) 15.733 13.445 ( 3.405 0.000 -0.696) 3.476 13.509 ( -3.253 -0.000 -0.889) 3.372 13.972 ( 3.039 0.000 12.081) 12.457 14.288 ( -9.337 -0.000 1.217) 9.416 14.781 ( 13.560 0.000 16.425) 21.299 14.822 ( -18.956 -0.000 5.787) 19.820 15.642 ( -8.020 -0.000 -5.250) 9.586 15.911 ( -8.647 -0.000 -1.332) 8.749 16.298 ( 3.976 0.000 0.143) 3.979 16.408 ( 2.976 0.000 -14.049) 14.361 16.947 ( 2.587 0.000 4.866) 5.511 17.013 ( -5.770 -0.000 -9.507) 11.121 17.399 ( -2.513 -0.000 0.083) 2.514 17.537 ( -0.289 -0.000 -5.435) 5.443 18.006 ( -6.361 -0.000 -4.696) 7.907 18.260 ( 7.508 0.000 -5.013) 9.028 18.285 ( -3.449 -0.000 -4.028) 5.303 18.659 ( 5.564 0.000 12.020) 13.245 18.846 ( 23.897 0.000 0.054) 23.897 19.130 ( 7.812 0.000 16.663) 18.403 19.311 ( -0.182 -0.000 5.214) 5.217 19.425 ( -1.721 -0.000 2.639) 3.150 19.949 ( 1.630 0.000 -0.047) 1.630 20.169 ( 2.450 0.000 -2.501) 3.501 21.630 ( -1.100 -0.000 1.439) 1.811 21.663 ( 1.631 0.000 1.070) 1.951 21.824 ( -0.244 -0.000 0.098) 0.263 21.912 ( -12.512 -0.000 -1.683) 12.625 27.769 ( -0.045 -0.000 0.137) 0.144 27.781 ( 1.762 0.000 -1.423) 2.265 27.862 ( -0.092 -0.000 -0.086) 0.126 27.990 ( -0.405 -0.000 0.063) 0.410 35.612 ( 5.479 0.000 3.067) 6.279 36.142 ( -8.706 -0.000 -1.926) 8.916 36.660 ( 7.687 0.000 6.846) 10.294 36.981 ( 9.000 0.000 -4.257) 9.957 38.802 ( -1.569 -0.000 -7.088) 7.260 38.873 ( 0.846 0.000 -9.063) 9.103 40.269 ( -0.533 -0.000 10.287) 10.301 40.640 ( 30.711 0.000 1.856) 30.767 ======================= Grid point 132 (59/150) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -2.660 1.240 -1.189) 3.166 0.941 ( 6.068 -0.486 0.314) 6.095 1.317 ( 2.955 -2.428 7.477) 8.398 1.417 ( 4.176 -3.635 5.746) 7.979 1.594 ( -7.276 -0.402 11.031) 13.221 1.730 ( -2.717 0.047 5.840) 6.441 2.465 ( 11.118 3.236 6.616) 13.336 2.600 ( -7.467 -3.528 -2.419) 8.606 2.747 ( -7.173 -6.719 -2.766) 10.210 2.945 ( -4.900 3.930 -1.860) 6.551 3.534 ( 10.922 3.921 17.974) 21.395 3.873 ( 2.310 -10.278 8.827) 13.743 4.256 ( 10.363 0.542 8.354) 13.322 4.831 ( 4.271 4.473 14.020) 15.323 5.057 ( 18.994 -10.711 19.001) 28.923 5.394 ( 3.104 3.832 5.365) 7.287 5.474 ( -1.667 -1.200 -1.067) 2.314 5.613 ( 10.417 -1.998 12.870) 16.677 5.751 ( 17.768 6.078 29.755) 35.186 5.858 ( -1.809 6.455 -9.015) 11.235 6.171 ( 1.185 -9.287 -12.366) 15.511 6.585 ( 7.842 -8.148 14.390) 18.302 7.037 ( -2.668 9.005 -3.792) 10.129 7.389 ( -15.918 7.474 -26.410) 31.729 7.635 ( 3.811 -0.199 -9.529) 10.265 7.693 ( -7.874 -3.396 5.944) 10.434 7.980 ( -4.732 -10.473 -4.546) 12.359 8.380 ( -21.498 1.161 -20.545) 29.759 8.609 ( 2.112 2.187 -3.500) 4.636 8.769 ( -14.184 4.644 -6.476) 16.270 8.984 ( 4.857 -1.064 -3.693) 6.194 9.406 ( -3.656 1.582 -17.708) 18.151 10.382 ( -3.839 2.740 -5.033) 6.898 10.448 ( 0.399 1.440 -4.363) 4.612 10.696 ( -8.595 -0.635 0.890) 8.664 11.026 ( 8.568 -1.463 -2.103) 8.942 11.204 ( -11.545 1.164 -5.836) 12.989 11.421 ( 8.227 2.148 -1.890) 8.710 12.157 ( 2.775 1.121 -1.068) 3.178 12.181 ( 7.808 0.478 -2.721) 8.282 12.338 ( 1.772 3.298 1.619) 4.079 12.505 ( -6.310 -2.369 -5.298) 8.573 12.838 ( -10.664 5.058 4.739) 12.719 12.989 ( 2.583 1.186 5.311) 6.024 13.447 ( -2.746 -0.646 1.188) 3.061 13.608 ( 5.566 -9.439 0.369) 10.964 14.125 ( 1.919 -1.298 11.294) 11.529 14.237 ( -5.325 0.095 4.264) 6.823 14.819 ( 4.095 2.781 14.618) 15.434 15.116 ( 10.241 -3.982 13.574) 17.464 15.478 ( -9.942 -0.372 -7.983) 12.755 15.805 ( -8.950 0.106 -0.459) 8.963 16.185 ( -2.742 10.029 -10.865) 15.038 16.334 ( 4.291 0.943 -10.745) 11.609 16.829 ( 0.964 6.732 5.915) 9.013 17.106 ( -0.142 -5.777 2.605) 6.338 17.410 ( -3.081 -5.228 -2.432) 6.537 17.495 ( -3.650 -3.712 -7.529) 9.154 17.886 ( -5.719 -4.565 -6.505) 9.791 18.243 ( 1.178 -2.344 -0.573) 2.685 18.326 ( 1.231 -7.233 -6.149) 9.573 18.859 ( 10.513 2.078 7.077) 12.842 18.909 ( 5.969 6.864 0.982) 9.149 19.201 ( -4.383 0.630 1.483) 4.670 19.351 ( 1.818 8.296 5.776) 10.271 19.588 ( 6.208 -6.128 14.300) 16.751 19.913 ( 3.619 6.305 -3.475) 8.058 20.173 ( 1.161 -1.725 -4.228) 4.712 21.625 ( -1.488 0.362 1.090) 1.880 21.688 ( 1.223 1.589 1.116) 2.295 21.773 ( -2.253 1.363 2.430) 3.583 21.870 ( -4.535 -4.252 -0.957) 6.289 27.766 ( -1.119 -0.975 -0.488) 1.563 27.793 ( 1.760 -0.369 -1.156) 2.138 27.871 ( 0.940 0.227 1.030) 1.413 27.970 ( -0.988 1.073 -0.730) 1.632 35.716 ( 4.404 -1.069 5.247) 6.933 35.991 ( -9.300 1.467 -4.585) 10.472 36.711 ( 0.494 4.330 3.207) 5.411 37.118 ( 8.105 -8.948 -5.110) 13.110 38.734 ( -0.505 -2.702 -6.641) 7.187 38.820 ( 0.405 -2.618 -7.898) 8.330 40.328 ( -1.000 3.554 8.101) 8.902 40.797 ( 15.133 10.160 -2.643) 18.418 ======================= Grid point 133 (60/150) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -6.181 -1.630 -3.793) 7.433 1.015 ( 7.303 2.118 1.721) 7.797 1.391 ( 0.844 0.816 0.945) 1.507 1.508 ( 3.536 -1.052 1.187) 3.875 1.644 ( -7.662 -2.870 9.276) 12.369 1.758 ( -3.222 0.531 7.031) 7.753 2.335 ( -17.878 0.499 -8.913) 19.982 2.603 ( 7.015 0.026 4.020) 8.085 2.805 ( -2.319 0.232 4.063) 4.684 2.995 ( 11.411 -2.396 1.988) 11.828 3.871 ( 15.607 -6.883 12.964) 21.425 3.941 ( -1.222 3.479 -3.259) 4.922 4.577 ( 11.490 -2.906 18.765) 22.194 4.878 ( -5.669 0.062 8.414) 10.146 5.009 ( -11.945 2.384 -17.462) 21.290 5.427 ( -1.583 3.479 0.345) 3.838 5.492 ( 1.820 -1.771 2.231) 3.380 5.662 ( 4.056 2.411 -7.815) 9.129 5.858 ( 2.618 -7.579 0.764) 8.055 6.077 ( 0.697 12.546 2.685) 12.849 6.348 ( 17.659 2.743 7.016) 19.199 6.556 ( -0.706 4.254 -19.028) 19.511 7.091 ( 0.296 0.855 5.225) 5.303 7.311 ( 19.795 -13.077 34.906) 42.205 7.584 ( 0.615 -1.519 -9.467) 9.608 7.738 ( -13.807 -5.604 2.971) 15.194 7.946 ( -17.090 1.363 -13.516) 21.831 8.097 ( -1.303 -13.809 2.258) 14.053 8.507 ( -7.266 6.962 1.250) 10.141 8.532 ( -7.524 2.486 -4.082) 8.914 8.983 ( 4.611 0.880 -8.047) 9.316 9.208 ( 1.158 1.846 -13.524) 13.699 10.242 ( -6.144 -0.016 -6.401) 8.873 10.390 ( 4.321 4.970 -2.674) 7.108 10.648 ( -8.822 -3.658 3.628) 10.216 10.997 ( -7.601 2.145 -4.579) 9.129 11.158 ( 6.648 -1.724 1.180) 6.969 11.445 ( 5.623 3.440 -0.471) 6.609 12.112 ( -2.624 -1.663 -6.242) 6.972 12.213 ( 5.909 3.436 -1.622) 7.025 12.352 ( 1.088 -1.014 0.656) 1.626 12.452 ( 0.578 -0.133 -1.970) 2.058 12.727 ( -10.543 -1.442 1.842) 10.799 13.039 ( 8.043 8.410 5.260) 12.770 13.445 ( -4.615 -3.405 1.168) 5.853 13.794 ( 6.323 -4.870 1.590) 8.138 14.216 ( -4.514 1.179 5.285) 7.050 14.276 ( 2.379 -2.437 8.328) 8.998 15.030 ( 8.845 1.775 13.126) 15.927 15.286 ( -6.707 -0.382 -9.493) 11.630 15.370 ( 5.656 -0.679 13.351) 14.516 15.713 ( -6.585 2.648 1.344) 7.224 15.918 ( -5.576 3.440 -10.657) 12.510 16.198 ( 6.133 8.431 -12.506) 16.282 16.909 ( 2.076 1.484 10.758) 11.056 17.202 ( 0.507 -2.060 4.233) 4.735 17.299 ( -5.033 0.374 -8.423) 9.819 17.490 ( -7.463 -12.218 -3.227) 14.676 17.897 ( -3.885 -7.961 -1.677) 9.016 18.289 ( -4.444 -5.316 -0.713) 6.965 18.402 ( 4.329 -11.333 -7.873) 14.462 18.777 ( 2.508 4.928 -9.684) 11.151 19.017 ( -0.875 4.839 8.103) 9.478 19.180 ( 0.745 -0.860 4.785) 4.918 19.301 ( 2.126 9.123 3.746) 10.088 19.708 ( 3.434 12.381 -0.848) 12.876 19.901 ( 2.335 -4.236 3.202) 5.801 20.169 ( 2.894 -0.102 -1.796) 3.408 21.613 ( -1.386 0.200 0.545) 1.503 21.669 ( 0.029 2.543 0.940) 2.711 21.814 ( 1.008 -1.491 4.226) 4.593 21.859 ( -3.306 -2.189 -1.349) 4.188 27.761 ( -1.360 -1.607 -1.026) 2.342 27.810 ( 1.781 -0.440 -0.347) 1.867 27.888 ( 0.721 0.869 1.730) 2.066 27.934 ( -0.888 1.121 -1.236) 1.890 35.791 ( -2.348 1.082 0.933) 2.748 35.879 ( -0.650 -0.894 0.107) 1.111 36.654 ( -6.334 2.167 1.920) 6.964 37.259 ( 6.450 -8.337 -4.414) 11.427 38.733 ( -1.006 -7.305 -7.051) 10.202 38.795 ( 0.892 -3.032 -5.303) 6.173 40.302 ( -0.437 8.268 3.609) 9.032 40.716 ( 7.099 14.344 -2.627) 16.219 ======================= Grid point 134 (61/150) ======================= q-point: (-0.62 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -7.329 -2.210 -6.480) 10.029 1.072 ( 5.880 2.970 2.059) 6.902 1.365 ( -0.187 3.608 0.586) 3.660 1.551 ( 1.848 0.338 -0.096) 1.882 1.666 ( -6.910 -1.765 5.086) 8.759 1.784 ( -4.154 0.826 8.163) 9.197 2.110 ( -10.551 -2.324 -6.958) 12.851 2.667 ( 0.226 -0.871 0.198) 0.921 2.868 ( 7.023 4.693 9.740) 12.892 3.118 ( 5.194 1.028 -1.437) 5.486 3.731 ( -0.628 8.317 -12.750) 15.236 4.200 ( 7.499 -1.653 6.101) 9.808 4.502 ( -20.515 9.760 -17.677) 28.786 4.793 ( -9.771 -3.123 -2.800) 10.634 4.991 ( 2.483 -4.799 9.036) 10.528 5.227 ( -10.390 8.130 -7.865) 15.359 5.411 ( -10.265 0.517 -20.979) 23.362 5.639 ( 8.326 -1.444 9.220) 12.506 5.924 ( 6.124 3.132 6.782) 9.660 6.103 ( 7.652 -4.405 -0.663) 8.854 6.430 ( 11.623 4.329 9.720) 15.758 6.535 ( 4.779 -4.509 -8.448) 10.702 7.183 ( 1.741 4.165 7.536) 8.784 7.287 ( -14.940 7.417 -10.531) 19.726 7.547 ( -10.000 -5.014 -7.493) 13.464 7.772 ( -5.719 7.406 -1.844) 9.537 8.030 ( 7.280 -4.203 13.779) 16.141 8.265 ( -4.434 -10.079 -3.423) 11.531 8.474 ( -1.177 -7.129 6.097) 9.454 8.592 ( 10.817 -6.660 24.949) 27.997 8.938 ( 7.698 -0.337 -7.959) 11.078 9.156 ( 6.186 -1.603 -4.434) 7.778 10.163 ( -1.963 -1.926 -3.187) 4.210 10.406 ( 5.304 -0.289 2.648) 5.935 10.667 ( -6.830 -5.616 4.683) 10.006 10.864 ( -6.031 1.041 -2.368) 6.563 11.269 ( 7.356 -0.547 2.143) 7.682 11.451 ( 4.817 4.327 1.455) 6.636 12.041 ( -1.566 -1.647 -8.076) 8.389 12.205 ( 2.785 2.375 -0.830) 3.753 12.347 ( -1.097 -2.086 -6.366) 6.788 12.497 ( 2.852 -1.091 3.510) 4.653 12.679 ( -5.541 -2.020 1.087) 5.997 13.051 ( 8.294 9.646 4.488) 13.490 13.462 ( -3.634 -4.106 1.303) 5.636 13.863 ( 1.115 2.466 1.676) 3.183 14.209 ( -2.349 -0.063 4.096) 4.722 14.394 ( 1.599 1.005 5.163) 5.498 14.918 ( -10.858 4.894 -9.956) 15.524 15.378 ( 5.444 2.681 1.791) 6.327 15.476 ( 4.725 4.568 11.260) 13.038 15.619 ( -5.193 -1.700 0.262) 5.470 15.889 ( 2.424 -9.495 1.614) 9.932 16.073 ( 10.548 7.819 -6.264) 14.548 16.930 ( -3.634 5.781 2.693) 7.340 17.093 ( -2.555 3.709 -1.681) 4.808 17.446 ( -0.006 -12.123 6.770) 13.886 17.543 ( -6.565 -12.107 -1.812) 13.891 17.940 ( -5.672 -7.448 -0.075) 9.362 18.258 ( -7.266 -4.368 -5.652) 10.189 18.522 ( 3.809 -8.716 -6.025) 11.260 18.658 ( 0.109 1.674 -8.074) 8.246 18.932 ( -6.954 1.986 -2.139) 7.541 19.213 ( 0.097 7.002 2.915) 7.585 19.295 ( 4.778 4.703 5.036) 8.385 19.493 ( 1.217 14.040 -6.346) 15.455 19.961 ( -0.906 -2.713 -2.623) 3.881 20.225 ( 5.592 2.182 4.925) 7.764 21.604 ( -0.840 -0.073 0.183) 0.863 21.650 ( 0.026 1.745 0.954) 1.988 21.822 ( -3.054 -0.052 -0.993) 3.212 21.905 ( 1.811 -2.130 4.881) 5.625 27.761 ( -0.431 -1.257 -0.911) 1.611 27.833 ( 1.239 -0.467 0.385) 1.379 27.894 ( -0.222 0.748 0.891) 1.185 27.907 ( -0.009 0.726 -0.280) 0.778 35.725 ( -2.709 -0.765 -2.954) 4.081 35.919 ( 3.250 4.082 3.470) 6.266 36.589 ( -11.232 -4.461 2.411) 12.324 37.413 ( 7.122 -9.421 -2.281) 12.028 38.723 ( -3.606 -7.274 -9.480) 12.482 38.842 ( 2.064 -5.408 -0.886) 5.856 40.167 ( 0.962 13.893 -1.791) 14.040 40.553 ( 4.483 14.532 -3.482) 15.601 ======================= Grid point 135 (62/150) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -7.232 -3.008 -8.556) 11.600 1.100 ( 3.935 3.739 1.980) 5.778 1.324 ( -0.382 3.165 1.495) 3.521 1.511 ( -1.250 6.332 -1.798) 6.700 1.662 ( -5.842 -1.481 5.168) 7.940 1.792 ( -4.996 2.312 7.013) 8.915 2.046 ( -1.347 -6.221 -4.765) 7.951 2.616 ( -0.772 4.313 -6.645) 7.960 2.958 ( -4.940 2.835 5.843) 8.159 3.073 ( 10.979 9.452 3.843) 14.988 3.484 ( -14.336 11.186 -13.473) 22.631 3.863 ( -13.918 9.475 -20.189) 26.289 4.221 ( -0.769 1.486 -5.815) 6.051 4.635 ( -14.478 2.243 -3.958) 15.176 4.947 ( -9.666 7.593 -2.279) 12.501 5.038 ( -9.387 1.303 -4.646) 10.555 5.293 ( 6.202 -5.791 -6.319) 10.580 5.832 ( 5.774 -1.582 6.594) 8.906 6.004 ( -4.103 4.157 -5.316) 7.898 6.115 ( 3.981 7.098 6.873) 10.652 6.457 ( -6.942 6.096 4.137) 10.123 6.713 ( 9.737 -4.820 9.491) 14.426 6.950 ( -6.338 -0.566 4.952) 8.063 7.341 ( -11.488 7.037 -3.135) 13.832 7.390 ( 8.713 -6.840 -6.731) 12.962 7.687 ( 8.491 -3.847 -1.757) 9.486 8.091 ( -1.868 2.617 0.504) 3.255 8.276 ( -4.315 -11.383 -6.002) 13.573 8.668 ( 1.264 -8.733 5.612) 10.457 8.871 ( 8.018 -4.624 -3.231) 9.803 9.256 ( 10.582 -4.782 0.418) 11.620 9.290 ( 14.999 -6.153 22.795) 27.972 10.163 ( 0.283 -2.380 -2.061) 3.161 10.555 ( 7.004 -3.020 7.522) 10.712 10.737 ( -5.260 -8.916 3.462) 10.915 10.800 ( -4.124 -0.657 0.745) 4.242 11.343 ( 4.599 1.741 -0.400) 4.933 11.500 ( 7.699 2.635 6.371) 10.335 11.960 ( -1.264 -0.616 -8.656) 8.769 12.202 ( 2.696 1.270 -1.180) 3.205 12.273 ( -2.301 -0.130 -7.782) 8.116 12.552 ( -2.857 -3.676 0.701) 4.708 12.677 ( -2.001 0.365 3.398) 3.960 13.060 ( 8.118 8.431 3.582) 12.240 13.502 ( -2.080 -3.841 2.469) 5.018 13.819 ( -1.838 6.255 3.247) 7.283 14.259 ( -2.304 -3.388 4.953) 6.428 14.321 ( -2.379 9.252 -2.030) 9.766 14.678 ( -6.788 4.107 -7.988) 11.258 15.214 ( -3.313 8.690 -7.500) 11.948 15.482 ( -1.384 -7.125 -5.905) 9.357 15.868 ( 11.111 -3.979 17.098) 20.775 16.095 ( 9.595 1.115 3.295) 10.206 16.152 ( 6.920 -10.125 6.443) 13.854 16.799 ( -3.427 7.062 -0.118) 7.851 17.047 ( -2.098 3.800 4.836) 6.498 17.509 ( -9.196 -11.351 -8.610) 16.957 17.717 ( -0.008 -7.542 6.403) 9.894 17.970 ( -8.982 -9.566 -2.098) 13.289 18.162 ( -4.708 -2.331 -5.928) 7.921 18.572 ( 0.888 2.865 -4.349) 5.283 18.590 ( 0.551 -3.836 -1.697) 4.231 18.813 ( -5.073 -1.091 -7.619) 9.219 19.098 ( 1.328 19.091 -2.318) 19.277 19.183 ( -2.928 3.374 -0.971) 4.572 19.393 ( -0.663 1.478 -0.962) 1.884 19.946 ( 1.901 -0.120 -4.173) 4.587 20.285 ( 3.158 3.976 5.487) 7.476 21.601 ( -0.324 -0.214 0.125) 0.407 21.642 ( -0.281 0.784 1.016) 1.314 21.776 ( -2.515 0.478 -1.086) 2.781 22.006 ( 1.884 -2.048 5.953) 6.572 27.766 ( 0.630 -0.340 -0.520) 0.885 27.855 ( 1.076 0.177 1.002) 1.481 27.886 ( -0.267 -0.741 -1.021) 1.290 27.905 ( -0.481 0.737 1.624) 1.847 35.709 ( 1.482 0.116 -1.154) 1.882 35.895 ( 1.962 5.364 0.900) 5.782 36.581 ( -14.139 -9.614 3.366) 17.426 37.617 ( 9.904 -11.093 -3.399) 15.255 38.676 ( -4.431 -5.635 -8.300) 10.967 38.938 ( 0.934 -6.077 0.943) 6.220 39.930 ( 2.394 18.858 -5.376) 19.755 40.376 ( 4.864 13.207 -5.059) 14.956 ======================= Grid point 136 (63/150) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -5.094 -3.180 -8.230) 10.188 1.095 ( 2.293 5.115 1.825) 5.895 1.287 ( -5.500 12.898 2.260) 14.202 1.321 ( -3.237 3.308 -1.066) 4.749 1.678 ( -3.834 -0.949 4.555) 6.030 1.745 ( -5.045 5.397 5.136) 8.998 2.121 ( 6.309 -4.295 -3.942) 8.591 2.470 ( -8.199 4.721 -5.716) 11.053 2.603 ( -19.174 23.701 -6.142) 31.098 3.043 ( -6.826 0.491 -1.366) 6.979 3.215 ( 9.588 4.563 8.753) 13.761 3.650 ( -0.951 5.329 -6.436) 8.410 4.110 ( 0.537 5.339 -4.225) 6.829 4.434 ( -11.724 12.994 8.671) 19.532 4.784 ( -9.884 -7.408 -8.579) 15.039 4.854 ( -7.043 2.006 -3.046) 7.931 5.258 ( -6.114 5.395 -5.206) 9.674 5.614 ( -6.730 12.046 -3.728) 14.293 6.035 ( -2.863 -5.315 -2.491) 6.531 6.094 ( -4.474 9.185 13.406) 16.856 6.410 ( 0.720 5.874 2.841) 6.565 6.818 ( 5.956 2.914 2.065) 6.945 7.092 ( -4.247 4.174 -5.053) 7.810 7.169 ( 0.626 -14.263 8.975) 16.863 7.583 ( 12.321 -15.253 -9.384) 21.738 7.938 ( 7.298 -9.919 6.052) 13.722 7.971 ( -1.237 7.182 -1.698) 7.483 8.402 ( 2.772 -15.807 -5.650) 17.014 8.788 ( 1.032 -1.798 1.955) 2.850 9.032 ( 9.328 -8.147 -2.091) 12.560 9.390 ( 5.804 -6.476 -3.546) 9.391 9.646 ( 8.495 -0.579 10.963) 13.881 10.183 ( 1.631 -2.462 -2.343) 3.770 10.712 ( 4.913 -0.573 4.667) 6.800 10.786 ( -5.659 -0.931 4.321) 7.181 10.864 ( -1.309 -10.447 1.789) 10.680 11.326 ( 2.148 3.909 -2.063) 4.915 11.647 ( 8.525 0.193 7.541) 11.383 11.872 ( -0.656 -0.283 -7.573) 7.606 12.121 ( -3.851 2.160 -10.924) 11.783 12.234 ( 2.607 -0.382 0.295) 2.651 12.569 ( -4.819 -3.473 2.793) 6.564 12.669 ( -3.685 0.599 3.022) 4.803 13.062 ( 5.252 6.450 1.808) 8.512 13.557 ( -0.325 -2.054 2.100) 2.955 13.741 ( -2.995 7.580 6.375) 10.347 14.099 ( -7.482 7.862 -0.810) 10.883 14.381 ( -3.664 -2.157 2.253) 4.812 14.449 ( 3.694 11.632 -4.140) 12.888 15.086 ( -3.531 -7.208 -6.036) 10.043 15.613 ( 5.104 -17.957 -6.326) 19.711 16.082 ( 6.093 3.351 5.739) 9.016 16.290 ( 8.327 -5.634 6.293) 11.861 16.405 ( 3.216 -6.531 8.858) 11.465 16.701 ( -0.729 4.664 2.157) 5.190 17.046 ( 1.106 5.045 10.082) 11.327 17.433 ( -9.820 -9.275 -13.351) 18.992 17.774 ( 0.432 1.712 -1.059) 2.059 17.904 ( -9.834 -5.767 -7.621) 13.713 18.181 ( -1.798 -4.264 2.853) 5.436 18.503 ( 1.787 6.110 1.950) 6.658 18.635 ( 1.517 1.348 -3.985) 4.472 18.659 ( -4.515 2.130 -7.925) 9.366 18.838 ( 0.168 14.351 0.060) 14.353 19.165 ( -4.346 -4.245 1.890) 6.363 19.323 ( -2.870 2.085 -2.988) 4.638 19.929 ( 2.417 0.889 -3.299) 4.185 20.294 ( 1.058 4.877 3.997) 6.393 21.604 ( -0.013 -0.158 0.247) 0.294 21.642 ( -0.632 -0.058 0.979) 1.166 21.744 ( -1.761 -0.341 -0.248) 1.810 22.110 ( 1.220 -2.594 5.379) 6.095 27.772 ( 1.153 0.419 -0.327) 1.270 27.854 ( 0.973 1.909 -0.509) 2.202 27.903 ( -0.353 -0.601 1.171) 1.363 27.904 ( -1.010 -1.244 0.825) 1.802 35.680 ( 2.886 7.040 -1.101) 7.688 35.912 ( 1.938 -4.312 1.485) 4.955 36.567 ( -15.906 -7.337 2.580) 17.706 37.781 ( 11.569 -6.836 -18.542) 22.899 38.650 ( -1.583 -3.043 2.470) 4.227 39.026 ( -0.132 -4.844 0.625) 4.886 39.649 ( 3.629 20.386 -2.659) 20.877 40.226 ( 6.179 10.824 -4.247) 13.168 ======================= Grid point 137 (64/150) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 3.707 -2.023 1.221) 4.396 0.975 ( -5.381 16.966 8.148) 19.575 1.083 ( -3.382 4.280 2.025) 5.819 1.295 ( -3.832 2.477 0.978) 4.666 1.651 ( -7.477 6.541 5.631) 11.419 1.690 ( -3.320 0.273 4.687) 5.750 1.997 ( -7.468 28.680 29.383) 41.734 2.135 ( 6.611 6.837 -2.053) 9.730 2.644 ( 9.250 -12.243 0.652) 15.358 3.033 ( -3.170 -0.940 5.524) 6.437 3.299 ( 2.094 3.116 3.482) 5.120 3.483 ( -6.826 6.952 -1.737) 9.896 4.080 ( 1.249 3.670 6.740) 7.775 4.169 ( -7.932 22.974 13.742) 27.920 4.640 ( -5.578 -5.598 -16.997) 18.745 4.922 ( 0.655 -10.141 1.840) 10.327 5.100 ( -2.488 3.053 2.807) 4.836 5.414 ( -4.605 8.005 0.886) 9.277 5.959 ( -9.158 10.713 10.047) 17.308 6.058 ( -2.393 -4.523 -6.655) 8.395 6.319 ( -2.554 6.062 0.217) 6.581 6.848 ( 0.017 1.953 -2.080) 2.853 7.007 ( 1.355 -1.768 -4.721) 5.220 7.413 ( 5.575 -6.095 4.035) 9.193 7.787 ( -3.794 0.053 -1.876) 4.233 7.905 ( 11.231 -13.597 -5.559) 18.491 8.171 ( 1.896 -7.972 -0.482) 8.208 8.593 ( 4.897 -13.047 -4.933) 14.783 8.821 ( -1.438 -2.030 2.131) 3.276 9.156 ( 6.347 -4.154 -8.960) 11.740 9.423 ( -1.259 -2.979 -12.783) 13.186 9.764 ( 2.991 -0.283 4.013) 5.013 10.224 ( 3.674 -2.860 -1.943) 5.045 10.742 ( -4.737 -1.253 0.900) 4.982 10.818 ( -0.018 0.081 5.926) 5.927 10.974 ( 3.013 -4.306 -0.728) 5.305 11.242 ( -1.109 3.951 -5.344) 6.738 11.784 ( 3.564 -1.294 2.262) 4.415 11.828 ( -1.035 -0.399 -3.029) 3.226 11.933 ( -1.219 2.384 -7.248) 7.726 12.293 ( 4.767 -1.198 0.692) 4.964 12.609 ( -2.848 -1.003 8.002) 8.553 12.663 ( -2.744 -2.365 1.155) 3.802 13.047 ( -0.913 1.415 2.225) 2.790 13.550 ( -0.050 4.021 -0.988) 4.141 13.710 ( -2.321 3.940 7.419) 8.715 13.928 ( -2.084 11.872 0.817) 12.081 14.224 ( -5.429 -2.164 -0.247) 5.850 14.498 ( 2.993 6.028 7.265) 9.903 15.194 ( -4.411 -20.273 -5.165) 21.381 15.836 ( 0.416 -18.896 -14.236) 23.662 16.093 ( 3.386 6.961 1.217) 7.836 16.355 ( -3.286 -3.544 -4.095) 6.334 16.508 ( -8.129 -2.261 -6.803) 10.839 16.723 ( 2.546 -2.224 3.934) 5.187 17.238 ( 16.401 1.579 24.319) 29.375 17.322 ( -5.430 -5.302 -10.321) 12.811 17.701 ( 5.094 9.979 -3.022) 11.605 17.856 ( -0.813 -2.158 2.040) 3.079 18.187 ( -4.950 -0.875 -1.662) 5.295 18.385 ( 3.610 14.241 -4.969) 15.509 18.527 ( -0.786 1.197 3.905) 4.159 18.644 ( -2.786 -0.695 -3.148) 4.261 18.714 ( 2.678 7.755 4.231) 9.232 19.234 ( -2.761 -5.179 6.501) 8.758 19.275 ( -1.131 -0.513 1.789) 2.178 19.908 ( 1.099 0.375 -2.824) 3.053 20.261 ( -0.451 4.898 1.858) 5.257 21.610 ( 0.006 -0.233 0.488) 0.540 21.645 ( -0.388 0.125 0.730) 0.836 21.749 ( -1.436 -2.597 0.956) 3.117 22.183 ( -2.002 -3.103 0.564) 3.736 27.770 ( 0.777 0.672 -0.832) 1.322 27.827 ( 0.866 2.255 -1.064) 2.639 27.894 ( -1.586 0.098 0.255) 1.610 27.940 ( 0.061 -1.662 1.541) 2.268 35.596 ( 1.958 6.092 -2.059) 6.722 36.044 ( 1.870 -7.367 3.338) 8.302 36.484 ( -13.254 -0.238 4.625) 14.040 37.558 ( 7.070 15.852 -32.060) 36.457 38.809 ( 5.138 -5.316 5.773) 9.379 39.059 ( 0.332 -0.905 -2.773) 2.935 39.545 ( 11.853 9.094 15.666) 21.648 40.162 ( 6.708 6.735 1.374) 9.604 ======================= Grid point 138 (65/150) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 11.132 -4.657 5.697) 13.344 0.929 ( 0.819 6.507 19.491) 20.565 1.021 ( -4.674 1.786 3.454) 6.080 1.190 ( -4.991 12.032 11.790) 17.570 1.573 ( -7.151 0.445 7.064) 10.061 1.696 ( -3.040 0.084 4.262) 5.236 2.094 ( 7.777 5.157 5.623) 10.895 2.291 ( 17.620 7.579 36.488) 41.222 2.965 ( 13.798 -6.692 16.748) 22.708 3.119 ( 1.140 -5.354 10.083) 11.473 3.228 ( -8.572 1.336 -4.909) 9.968 3.313 ( -7.461 6.411 3.020) 10.290 3.902 ( -5.641 19.864 13.808) 24.841 4.185 ( -0.225 1.278 7.779) 7.886 4.567 ( 6.327 -3.401 -6.046) 9.388 5.054 ( 6.134 -0.990 6.800) 9.211 5.194 ( 3.755 0.514 13.051) 13.590 5.373 ( -0.164 -4.491 0.823) 4.568 5.760 ( -8.241 9.234 -0.529) 12.389 6.070 ( 1.005 -3.671 -1.721) 4.177 6.258 ( -3.071 -0.145 2.123) 3.736 6.653 ( -8.069 7.041 -14.235) 17.813 7.059 ( 3.508 -3.489 -1.066) 5.061 7.531 ( 10.178 1.651 -1.643) 10.441 7.734 ( -9.460 -4.048 3.343) 10.820 8.076 ( 3.086 -3.790 -8.494) 9.799 8.210 ( -3.649 -7.126 -6.487) 10.304 8.721 ( 1.620 -7.028 -6.305) 9.580 8.827 ( -4.300 -1.725 -2.381) 5.210 9.106 ( 1.149 0.802 -13.542) 13.614 9.208 ( -6.522 0.495 -17.863) 19.023 9.789 ( -3.325 -1.551 -4.181) 5.562 10.301 ( 5.715 -2.817 -0.667) 6.406 10.714 ( -6.542 -3.366 0.136) 7.359 10.831 ( -4.509 4.050 2.931) 6.733 10.979 ( 4.362 0.926 -11.723) 12.543 11.212 ( 8.679 -2.128 -0.397) 8.945 11.639 ( -12.572 0.504 -8.720) 15.309 11.894 ( 8.656 -2.511 3.441) 9.647 12.009 ( 8.961 0.274 4.167) 9.886 12.354 ( 3.001 -1.132 -1.172) 3.415 12.659 ( -1.357 1.708 4.340) 4.858 12.710 ( -0.351 -5.550 2.502) 6.099 13.065 ( -5.269 -3.107 5.494) 8.222 13.469 ( -0.028 4.528 -1.478) 4.763 13.632 ( -2.971 8.447 -1.214) 9.036 13.855 ( 1.563 3.661 9.239) 10.060 14.327 ( -8.243 -10.936 5.086) 14.609 14.508 ( 6.305 5.447 10.395) 13.322 15.180 ( -25.137 -5.874 -14.894) 29.802 15.746 ( -8.855 -0.434 -4.331) 9.867 16.021 ( -2.815 4.208 -1.787) 5.369 16.287 ( -5.143 -0.058 -0.581) 5.176 16.432 ( 5.809 -7.632 -13.232) 16.342 16.814 ( -1.244 -7.694 0.937) 7.850 17.219 ( -3.660 2.763 -7.485) 8.778 17.471 ( -0.713 5.687 1.998) 6.070 17.616 ( 5.353 7.993 -2.315) 9.895 18.051 ( 1.751 -2.628 4.492) 5.491 18.168 ( 9.584 -2.239 -1.361) 9.936 18.383 ( 21.506 -2.641 7.875) 23.054 18.448 ( -1.960 5.034 -5.563) 7.754 18.579 ( -1.288 1.232 4.307) 4.661 18.867 ( 10.861 1.837 16.472) 19.815 19.291 ( -1.760 -0.696 3.677) 4.135 19.370 ( 0.471 -3.131 7.106) 7.779 19.907 ( 0.912 -2.402 -1.075) 2.785 20.200 ( -0.587 4.003 -0.092) 4.047 21.621 ( -0.253 -0.479 1.018) 1.153 21.647 ( 0.395 0.466 0.787) 0.996 21.790 ( -1.203 -3.895 0.859) 4.166 22.110 ( -10.259 1.013 -5.440) 11.657 27.761 ( 0.727 0.202 -0.551) 0.934 27.797 ( 0.843 1.850 -1.231) 2.377 27.874 ( -1.229 0.255 -0.364) 1.306 27.976 ( 0.220 -1.205 1.173) 1.696 35.555 ( 4.240 2.746 0.336) 5.063 36.166 ( -2.562 -5.534 2.345) 6.533 36.476 ( 1.193 0.601 12.130) 12.203 37.117 ( 6.973 19.905 -14.836) 25.787 38.866 ( 0.482 -1.666 -6.131) 6.371 38.984 ( -0.262 3.213 -7.857) 8.493 40.024 ( 24.141 -10.409 20.660) 33.436 40.229 ( 14.229 3.894 7.868) 16.720 ======================= Grid point 140 (66/150) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -6.404 -0.000 -3.786) 7.439 1.053 ( 8.575 0.000 1.268) 8.669 1.367 ( 1.382 0.000 3.189) 3.475 1.489 ( 4.147 0.000 2.145) 4.668 1.617 ( -7.540 -0.000 9.533) 12.154 1.767 ( -1.948 -0.000 6.671) 6.950 2.331 ( -19.887 -0.000 -9.060) 21.853 2.632 ( -1.429 -0.000 3.081) 3.396 2.739 ( 9.555 0.000 8.394) 12.718 2.985 ( 10.082 0.000 -0.339) 10.087 3.803 ( 5.389 0.000 10.928) 12.185 3.978 ( 10.075 0.000 11.716) 15.453 4.509 ( 12.143 0.000 19.681) 23.126 4.914 ( -6.764 -0.000 3.493) 7.613 5.026 ( -9.011 -0.000 -15.082) 17.569 5.455 ( 1.551 0.000 1.429) 2.109 5.489 ( -2.505 -0.000 1.658) 3.004 5.735 ( -0.522 -0.000 -0.213) 0.564 5.837 ( 14.174 0.000 -16.029) 21.397 6.088 ( 9.358 0.000 -3.401) 9.957 6.395 ( 11.077 0.000 21.508) 24.193 6.747 ( 8.761 0.000 8.906) 12.493 7.021 ( -6.588 -0.000 -5.187) 8.385 7.225 ( 13.867 0.000 16.317) 21.413 7.565 ( -0.923 -0.000 -6.518) 6.583 7.648 ( -8.329 -0.000 5.807) 10.153 7.797 ( -5.976 -0.000 -5.859) 8.369 7.915 ( -17.909 -0.000 -18.560) 25.791 8.564 ( -11.893 -0.000 -4.787) 12.820 8.631 ( -4.577 -0.000 0.669) 4.626 9.009 ( 5.369 0.000 -5.267) 7.521 9.240 ( 1.097 0.000 -15.497) 15.536 10.248 ( -6.948 -0.000 -5.823) 9.065 10.477 ( 2.001 0.000 -4.677) 5.087 10.594 ( -9.341 -0.000 1.717) 9.497 11.051 ( -10.169 -0.000 -1.746) 10.318 11.108 ( 10.243 0.000 -0.305) 10.247 11.505 ( 6.546 0.000 -1.131) 6.643 12.088 ( -4.359 -0.000 -4.975) 6.614 12.250 ( 6.595 0.000 -4.405) 7.931 12.356 ( -6.388 -0.000 -4.441) 7.780 12.461 ( 6.792 0.000 4.948) 8.403 12.680 ( -19.700 -0.000 2.661) 19.879 13.182 ( 10.223 0.000 7.667) 12.779 13.490 ( 1.558 0.000 1.096) 1.904 13.604 ( 8.846 0.000 1.712) 9.010 14.235 ( 0.462 0.000 9.737) 9.748 14.245 ( -2.543 -0.000 4.942) 5.558 15.056 ( 10.667 0.000 13.929) 17.544 15.266 ( -8.014 -0.000 -11.554) 14.061 15.379 ( 7.537 0.000 18.840) 20.292 15.692 ( -10.690 -0.000 0.076) 10.690 16.162 ( -0.823 -0.000 -16.828) 16.849 16.212 ( -0.905 -0.000 -6.406) 6.469 16.935 ( -0.965 -0.000 8.709) 8.762 17.119 ( 2.501 0.000 5.090) 5.671 17.318 ( -4.004 -0.000 -7.997) 8.944 17.359 ( -2.259 -0.000 -8.150) 8.457 17.744 ( -3.707 -0.000 -1.115) 3.871 18.212 ( 3.445 0.000 -9.393) 10.005 18.235 ( -4.644 -0.000 3.324) 5.711 18.831 ( -1.777 -0.000 -14.013) 14.125 19.124 ( 7.106 0.000 15.326) 16.894 19.125 ( -6.992 -0.000 -3.363) 7.759 19.524 ( -0.685 -0.000 5.632) 5.673 19.712 ( 4.084 0.000 10.651) 11.408 20.004 ( 7.858 0.000 -0.574) 7.879 20.118 ( 3.116 0.000 -7.971) 8.558 21.619 ( -1.891 -0.000 0.927) 2.106 21.742 ( 2.879 0.000 1.133) 3.094 21.760 ( -4.048 -0.000 1.941) 4.489 21.816 ( -0.967 -0.000 1.238) 1.571 27.736 ( -1.387 -0.000 -0.818) 1.610 27.801 ( 1.651 0.000 -0.850) 1.857 27.902 ( 1.261 0.000 1.935) 2.309 27.953 ( -1.271 -0.000 -1.627) 2.065 35.820 ( 3.322 0.000 8.603) 9.222 35.830 ( -10.320 -0.000 -6.211) 12.045 36.734 ( -2.835 -0.000 -2.765) 3.960 37.102 ( 6.157 0.000 -2.974) 6.838 38.633 ( -1.762 -0.000 -5.968) 6.223 38.752 ( 1.407 0.000 -5.574) 5.749 40.410 ( -0.858 -0.000 5.627) 5.692 40.937 ( 7.031 0.000 -5.593) 8.984 ======================= Grid point 141 (67/150) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -6.058 -0.268 -4.643) 7.638 1.137 ( 7.012 1.649 1.096) 7.287 1.406 ( 0.731 -0.327 0.532) 0.961 1.539 ( 3.493 -0.961 -0.730) 3.696 1.608 ( -10.546 -1.058 7.238) 12.835 1.812 ( -1.915 0.836 7.478) 7.765 2.065 ( -14.973 -0.880 -6.380) 16.299 2.637 ( -0.419 -0.691 2.250) 2.390 2.943 ( 10.145 0.537 9.048) 13.604 3.102 ( 9.041 -0.618 0.141) 9.064 3.893 ( 3.006 1.480 -4.425) 5.551 4.196 ( 13.364 1.632 11.641) 17.798 4.623 ( -21.143 4.190 -19.105) 28.802 4.795 ( -12.073 -3.709 0.071) 12.630 4.917 ( 10.957 1.411 17.135) 20.388 5.400 ( -2.844 6.424 -6.368) 9.482 5.496 ( -6.368 4.227 -25.675) 26.788 5.594 ( 9.367 -3.863 9.194) 13.682 5.880 ( 10.810 -3.547 -1.946) 11.542 6.243 ( 3.973 -12.702 -6.439) 14.785 6.303 ( -3.358 19.280 -4.452) 20.070 6.665 ( -0.384 3.790 -6.336) 7.393 7.140 ( 6.877 -4.923 8.502) 11.993 7.450 ( -10.902 2.583 -9.757) 14.857 7.482 ( -5.026 1.640 -6.569) 8.432 7.709 ( -5.296 -9.906 2.261) 11.458 7.841 ( 8.085 -4.350 19.780) 21.807 7.951 ( 7.262 -9.780 14.086) 18.623 8.490 ( -1.069 -0.107 10.989) 11.041 8.551 ( -3.848 5.574 6.747) 9.560 8.957 ( 2.065 0.755 -11.753) 11.957 9.140 ( 3.360 -0.011 -8.807) 9.426 10.139 ( -4.549 -0.045 -3.174) 5.547 10.407 ( -0.510 -0.094 -3.541) 3.579 10.583 ( -4.179 -1.008 5.851) 7.260 10.930 ( -7.642 2.728 0.135) 8.116 11.230 ( 8.989 -1.839 0.262) 9.179 11.550 ( 5.140 2.418 1.751) 5.944 12.000 ( -3.387 -0.860 -5.388) 6.422 12.249 ( 2.783 0.085 -5.551) 6.211 12.277 ( -3.130 -1.558 -2.764) 4.457 12.509 ( -8.105 1.328 3.825) 9.060 12.618 ( 1.799 -2.491 4.954) 5.829 13.315 ( 9.938 4.933 4.794) 12.087 13.451 ( 1.901 6.778 0.835) 7.089 13.793 ( 6.889 -7.744 0.169) 10.367 14.238 ( -3.210 2.467 2.910) 4.986 14.347 ( 0.323 -2.813 8.851) 9.292 15.038 ( -10.086 2.946 -9.148) 13.932 15.292 ( 6.203 -3.882 1.673) 7.506 15.573 ( 0.342 2.961 8.697) 9.194 15.659 ( 1.520 -1.636 11.663) 11.875 15.909 ( -1.145 10.278 -6.318) 12.119 16.201 ( 3.194 -1.319 -6.924) 7.738 17.021 ( -2.149 -0.189 7.369) 7.678 17.145 ( -5.342 -0.414 -9.305) 10.738 17.210 ( -0.032 -2.516 3.696) 4.471 17.284 ( -2.979 -4.550 -4.287) 6.925 17.767 ( -2.357 -3.797 2.073) 4.926 18.208 ( -6.069 -0.603 1.260) 6.228 18.233 ( 4.510 -9.044 -6.679) 12.114 18.667 ( -4.591 -0.258 -11.425) 12.316 18.986 ( -7.940 1.488 -5.655) 9.861 19.315 ( 2.906 0.270 10.272) 10.679 19.465 ( -0.479 7.747 0.048) 7.762 19.817 ( -1.794 -1.845 1.497) 2.977 19.957 ( 8.193 11.501 -4.799) 14.914 20.201 ( 7.288 -4.651 1.391) 8.757 21.606 ( -1.440 0.189 0.606) 1.573 21.713 ( -0.602 2.879 1.103) 3.142 21.794 ( -1.274 -2.319 -0.801) 2.765 21.847 ( 0.870 -1.366 4.673) 4.946 27.724 ( -0.866 -0.993 -0.575) 1.437 27.812 ( 0.948 -0.646 -0.494) 1.249 27.917 ( -0.924 0.628 -1.607) 1.957 27.930 ( 0.832 0.616 1.834) 2.106 35.678 ( -7.925 -1.566 -5.613) 9.837 35.954 ( 2.540 -0.677 10.761) 11.077 36.612 ( -6.948 3.913 -4.719) 9.266 37.169 ( 4.015 -7.205 -4.486) 9.389 38.584 ( -2.120 -2.800 -4.469) 5.684 38.738 ( 1.429 -2.139 -2.815) 3.814 40.412 ( 0.523 4.619 0.991) 4.753 40.876 ( 3.023 7.594 -5.979) 10.126 ======================= Grid point 142 (68/150) ======================= q-point: (-0.62 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -5.983 0.739 -6.122) 8.592 1.183 ( 5.091 2.505 0.662) 5.712 1.388 ( -1.630 1.125 -1.303) 2.371 1.577 ( -0.300 0.610 1.919) 2.036 1.582 ( -6.783 -4.951 2.054) 8.646 1.842 ( -3.504 1.833 8.045) 8.965 1.929 ( -5.526 -2.145 -3.215) 6.743 2.680 ( 3.133 0.475 1.444) 3.483 3.063 ( 3.137 4.193 3.821) 6.482 3.200 ( 6.263 -0.050 4.365) 7.634 3.775 ( 3.359 8.590 -9.881) 13.516 4.102 ( -25.011 4.412 -19.005) 31.721 4.317 ( 0.931 8.439 -8.406) 11.948 4.594 ( -7.820 -0.398 -6.280) 10.038 5.121 ( -4.629 2.996 -7.405) 9.232 5.196 ( 11.026 4.314 1.239) 11.904 5.256 ( -0.534 8.105 -0.787) 8.161 5.844 ( 8.467 2.379 5.000) 10.117 6.018 ( 0.782 -4.539 -1.166) 4.751 6.079 ( 5.000 -4.554 -1.044) 6.844 6.364 ( 1.121 -13.454 -6.090) 14.811 6.639 ( 4.287 3.426 3.208) 6.357 7.195 ( -7.789 7.743 -2.357) 11.233 7.296 ( 2.952 2.145 -4.496) 5.791 7.387 ( -7.737 -0.955 5.321) 9.439 7.756 ( 1.225 0.124 -2.025) 2.370 7.960 ( -9.829 -6.466 0.739) 11.788 8.155 ( -2.256 -1.804 6.769) 7.360 8.391 ( -5.502 -4.979 3.768) 8.323 8.792 ( 3.037 -0.359 -7.306) 7.920 9.114 ( 20.133 -6.297 27.726) 34.838 9.147 ( 2.987 -4.106 -2.349) 5.595 10.102 ( -1.691 -2.056 -1.390) 3.003 10.454 ( 3.891 -2.998 4.673) 6.780 10.622 ( -1.610 -1.148 6.005) 6.322 10.827 ( -5.855 2.203 1.027) 6.339 11.339 ( 6.919 -1.853 -0.992) 7.231 11.601 ( 5.738 3.926 5.689) 8.983 11.931 ( -1.250 -0.943 -6.394) 6.583 12.216 ( 0.407 -0.408 -4.448) 4.485 12.250 ( -1.757 -1.579 -3.450) 4.181 12.464 ( -6.680 -2.470 2.221) 7.460 12.724 ( 4.957 1.932 6.359) 8.291 13.354 ( 10.948 12.127 3.391) 16.686 13.424 ( 0.677 -1.152 -0.005) 1.336 13.895 ( 2.564 -1.606 -1.369) 3.321 14.193 ( -3.114 0.118 0.536) 3.162 14.435 ( -3.145 -0.395 2.398) 3.975 14.797 ( -9.432 5.452 -4.942) 11.962 15.251 ( -6.266 -6.141 -12.245) 15.064 15.568 ( -2.166 10.649 -1.030) 10.915 15.856 ( 9.723 3.526 13.856) 17.290 15.912 ( 5.269 -5.939 13.261) 15.456 16.183 ( 7.587 2.813 -3.812) 8.945 16.953 ( -3.027 1.696 -3.199) 4.719 17.094 ( -5.007 0.314 2.472) 5.593 17.224 ( -5.740 -6.484 -2.984) 9.159 17.423 ( 0.155 -11.959 5.876) 13.325 17.788 ( -5.058 -3.345 0.666) 6.100 18.145 ( -5.272 0.016 -1.253) 5.419 18.387 ( 5.743 -11.089 -3.085) 12.864 18.538 ( -4.391 -2.558 -7.826) 9.332 18.818 ( -7.570 1.722 -6.577) 10.175 19.269 ( -6.915 3.531 -3.591) 8.555 19.454 ( 5.207 4.394 3.237) 7.543 19.688 ( 1.403 17.228 -1.792) 17.378 19.924 ( 5.691 0.158 -4.617) 7.330 20.332 ( 4.757 -1.031 3.164) 5.805 21.597 ( -0.875 0.037 0.408) 0.967 21.684 ( -0.365 2.222 0.844) 2.405 21.782 ( -1.957 -0.358 -0.974) 2.215 21.938 ( 0.979 -2.691 5.286) 6.011 27.731 ( -0.323 -1.620 -0.228) 1.668 27.829 ( 0.257 -1.393 -0.095) 1.420 27.888 ( -0.246 0.378 -1.295) 1.371 27.942 ( 0.400 1.427 1.769) 2.308 35.607 ( -4.114 -4.801 -3.874) 7.415 36.080 ( 3.538 3.841 10.229) 11.484 36.427 ( -11.791 0.173 -3.976) 12.445 37.295 ( 4.556 -12.081 -5.294) 13.954 38.562 ( -2.529 -2.786 -2.561) 4.551 38.786 ( 0.980 -4.785 0.142) 4.886 40.316 ( 2.884 9.812 -4.683) 11.248 40.712 ( 1.916 11.093 -6.562) 13.030 ======================= Grid point 143 (69/150) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -3.505 0.396 -5.695) 6.699 1.195 ( 3.174 2.944 0.210) 4.334 1.343 ( -1.888 0.361 -1.245) 2.291 1.572 ( 2.241 3.700 -1.825) 4.695 1.607 ( -6.422 -4.771 5.462) 9.687 1.839 ( -4.858 2.851 6.651) 8.716 1.925 ( 0.272 -4.896 -1.511) 5.131 2.670 ( 5.936 8.083 -4.156) 10.856 3.011 ( -3.777 3.090 2.191) 5.350 3.294 ( -4.361 9.992 7.349) 13.148 3.405 ( -9.541 14.501 -6.583) 18.565 3.803 ( 8.018 8.202 -12.782) 17.173 4.071 ( -5.516 -8.538 -14.024) 17.320 4.481 ( -3.562 5.253 -6.347) 8.976 4.892 ( -5.619 7.865 -7.268) 12.094 5.062 ( 0.003 9.903 0.747) 9.931 5.370 ( 7.609 4.407 3.663) 9.526 5.926 ( -2.424 4.604 -9.671) 10.981 5.965 ( 1.746 -0.125 6.358) 6.594 6.298 ( 5.365 -10.725 4.388) 12.770 6.425 ( -2.437 5.756 3.976) 7.408 6.781 ( 1.222 -9.280 8.012) 12.321 6.955 ( -5.141 8.374 -0.310) 9.831 7.232 ( -0.490 -4.996 -9.100) 10.393 7.326 ( -8.080 6.104 -1.043) 10.180 7.766 ( 4.953 -0.238 5.115) 7.124 7.956 ( -0.368 -13.542 -6.719) 15.122 8.158 ( -3.924 3.834 2.421) 5.997 8.643 ( 4.268 -11.382 13.205) 17.948 8.784 ( 2.158 -7.401 -6.885) 10.336 9.212 ( 2.146 -6.918 -4.532) 8.544 9.575 ( 8.869 -4.122 14.429) 17.431 10.108 ( -1.029 -2.948 -1.471) 3.451 10.620 ( 1.975 -6.388 6.926) 9.627 10.701 ( 3.406 -0.216 6.262) 7.131 10.771 ( -5.380 -0.039 3.021) 6.170 11.395 ( 4.201 0.164 -3.095) 5.220 11.682 ( 6.295 2.864 6.565) 9.535 11.869 ( -0.095 -0.086 -5.891) 5.893 12.159 ( 0.291 0.351 -10.391) 10.401 12.224 ( -1.211 -0.120 1.164) 1.684 12.457 ( -5.461 -3.220 1.870) 6.609 12.771 ( 0.787 4.899 5.907) 7.715 13.335 ( 10.873 12.239 0.006) 16.371 13.469 ( 0.282 -3.651 1.715) 4.044 13.896 ( -0.035 2.658 1.158) 2.900 14.180 ( -5.579 -0.032 0.151) 5.581 14.350 ( 0.007 -1.268 -4.033) 4.227 14.625 ( -5.747 4.969 -1.602) 7.764 15.211 ( -1.781 -8.226 -7.646) 11.371 15.297 ( -3.992 14.687 -6.865) 16.697 16.042 ( 1.592 -5.323 8.037) 9.771 16.150 ( 4.393 -2.896 4.889) 7.183 16.308 ( 11.889 -1.522 10.191) 15.732 16.901 ( 0.967 7.700 3.966) 8.715 17.062 ( -4.836 -6.284 -1.759) 8.122 17.205 ( -8.585 -4.229 -0.364) 9.577 17.609 ( -2.799 -11.784 -0.423) 12.120 17.769 ( -5.795 -2.882 1.129) 6.570 18.110 ( -1.189 -1.405 0.720) 1.977 18.487 ( -1.677 -5.234 -2.909) 6.218 18.568 ( 5.065 -4.713 0.569) 6.942 18.675 ( -3.861 -0.364 -5.381) 6.633 19.118 ( -5.944 0.334 -6.361) 8.712 19.400 ( 1.832 14.951 -3.593) 15.485 19.455 ( 2.579 14.483 1.741) 14.813 19.936 ( 4.309 -0.297 -4.707) 6.388 20.387 ( 1.267 1.590 2.438) 3.174 21.595 ( -0.527 -0.266 0.401) 0.714 21.663 ( -0.470 1.513 0.717) 1.739 21.752 ( -1.556 0.461 -0.793) 1.806 22.032 ( -0.145 -3.174 4.848) 5.797 27.751 ( -0.011 -1.758 -0.177) 1.767 27.851 ( -0.204 -1.988 -0.196) 2.008 27.879 ( 0.456 0.283 0.123) 0.551 27.935 ( -0.300 1.867 1.140) 2.208 35.639 ( -0.411 -7.385 -1.551) 7.558 36.045 ( 0.799 11.734 -0.843) 11.791 36.370 ( -11.296 -7.683 7.737) 15.700 37.468 ( 6.288 -14.269 -8.736) 17.873 38.569 ( -1.328 -2.483 2.652) 3.868 38.876 ( 0.018 -5.971 1.892) 6.263 40.131 ( 5.309 14.541 -8.576) 17.697 40.517 ( 2.544 10.969 -7.641) 13.608 ======================= Grid point 144 (70/150) ======================= q-point: (-0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 3.350 -0.957 0.413) 3.509 1.176 ( 1.168 3.412 -0.504) 3.641 1.310 ( -1.879 0.439 -0.633) 2.031 1.461 ( -0.735 12.895 0.480) 12.925 1.661 ( -3.796 -2.617 5.241) 6.981 1.793 ( -3.948 3.814 3.417) 6.467 2.049 ( 4.781 -10.746 -0.517) 11.773 2.554 ( 8.035 10.628 -4.622) 14.102 2.861 ( -8.413 27.794 12.126) 31.470 2.993 ( -4.043 -1.016 4.581) 6.194 3.412 ( 2.771 5.213 4.374) 7.348 3.676 ( 5.597 5.657 -6.459) 10.249 4.152 ( 8.248 -8.846 -4.913) 13.054 4.326 ( -3.548 -0.006 -6.014) 6.982 4.722 ( 0.616 7.965 0.980) 8.049 4.949 ( -1.467 13.975 8.198) 16.268 5.307 ( -4.399 11.069 2.685) 12.210 5.676 ( -2.825 10.020 -4.558) 11.365 5.907 ( -8.934 2.609 -4.013) 10.136 6.393 ( -2.867 14.495 12.452) 19.323 6.462 ( 3.181 -1.838 -0.508) 3.709 6.782 ( -6.952 -6.430 -4.412) 10.447 7.046 ( -8.849 6.880 -3.777) 11.828 7.091 ( 5.123 -12.327 9.479) 16.372 7.417 ( 12.703 -15.169 -6.191) 20.732 7.945 ( 2.311 -7.294 5.583) 9.472 8.041 ( -1.804 8.324 -0.822) 8.557 8.146 ( 4.994 -18.984 -6.781) 20.768 8.743 ( -3.878 -3.875 -4.130) 6.863 9.001 ( 7.494 -7.580 4.842) 11.707 9.272 ( 1.776 -7.667 -8.848) 11.842 9.717 ( -2.958 -3.675 1.262) 4.884 10.133 ( 0.612 -3.579 -1.457) 3.913 10.714 ( -5.045 -0.828 -0.631) 5.152 10.762 ( -0.121 -5.582 5.509) 7.843 10.851 ( 1.325 -2.088 8.476) 8.829 11.350 ( -0.274 2.943 -6.143) 6.817 11.752 ( 3.580 -0.339 -1.043) 3.744 11.831 ( -2.087 0.232 -2.519) 3.279 12.033 ( 4.474 4.968 -7.570) 10.100 12.251 ( 1.226 -1.634 1.371) 2.460 12.475 ( -5.070 -4.311 3.374) 7.461 12.751 ( -1.769 4.759 5.819) 7.722 13.229 ( 4.536 11.486 -6.024) 13.740 13.538 ( -1.054 -3.465 1.427) 3.893 13.858 ( -2.233 5.210 4.757) 7.400 14.078 ( -4.365 4.344 4.379) 7.557 14.437 ( 1.141 9.593 -2.170) 9.901 14.542 ( 7.638 -10.774 -0.373) 13.212 14.984 ( -4.880 12.640 -4.219) 14.191 15.320 ( 1.809 -16.326 -8.071) 18.302 16.149 ( -3.328 -5.066 0.596) 6.091 16.239 ( -0.109 -2.170 0.923) 2.361 16.488 ( 2.436 0.009 2.883) 3.774 16.818 ( -0.982 8.248 4.363) 9.382 17.103 ( -5.111 -9.149 -9.473) 14.127 17.238 ( 0.917 -3.255 16.487) 16.830 17.659 ( -4.074 -8.741 -5.499) 11.102 17.812 ( 1.012 -2.291 5.589) 6.124 18.146 ( -1.245 -2.201 1.745) 3.073 18.533 ( 1.098 -2.900 0.453) 3.134 18.578 ( -1.209 0.739 0.950) 1.706 18.703 ( 8.121 2.927 -2.747) 9.059 19.037 ( -3.512 -1.290 -2.330) 4.407 19.151 ( 3.194 16.981 1.371) 17.333 19.342 ( -0.193 6.700 -1.052) 6.785 19.923 ( 2.067 0.482 -4.961) 5.396 20.372 ( -1.448 2.981 1.395) 3.596 21.600 ( -0.282 -0.501 0.421) 0.713 21.649 ( -0.774 0.644 0.779) 1.273 21.728 ( -0.816 0.344 0.003) 0.885 22.102 ( -2.131 -3.184 2.650) 4.659 27.768 ( 0.109 -1.149 -0.653) 1.326 27.864 ( 0.123 -0.653 -0.826) 1.060 27.896 ( 0.199 -0.818 1.625) 1.830 27.910 ( -1.186 1.656 0.370) 2.071 35.730 ( 1.889 -3.525 -1.315) 4.210 35.890 ( -2.398 2.968 -2.040) 4.327 36.446 ( -7.841 -2.688 12.405) 14.920 37.579 ( 6.090 -9.263 -17.058) 20.344 38.679 ( 2.688 -4.292 9.175) 10.479 38.970 ( -0.099 -5.218 2.125) 5.635 39.911 ( 7.119 15.494 -6.532) 18.259 40.352 ( 4.393 7.744 -7.275) 11.497 ======================= Grid point 145 (71/150) ======================= q-point: (-0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 8.835 -3.004 5.485) 10.824 1.116 ( -1.530 4.006 -1.518) 4.549 1.275 ( 1.411 11.768 7.106) 13.819 1.308 ( -1.655 3.973 3.010) 5.252 1.690 ( -2.892 -0.116 4.398) 5.265 1.723 ( -4.445 5.296 3.426) 7.716 2.217 ( 6.800 -2.509 -1.027) 7.320 2.553 ( 9.875 2.108 3.247) 10.607 2.751 ( 1.890 9.552 20.327) 22.539 3.042 ( 0.390 0.098 10.324) 10.332 3.311 ( -5.966 4.917 -6.592) 10.160 3.673 ( 11.466 12.889 12.106) 21.075 4.232 ( 0.359 5.069 1.540) 5.310 4.354 ( 8.403 -8.634 -3.917) 12.669 4.639 ( -0.298 24.783 19.704) 31.662 4.913 ( 4.538 -2.403 10.008) 11.248 5.229 ( 4.824 5.521 7.964) 10.825 5.503 ( -2.791 8.055 -2.339) 8.840 5.802 ( -3.494 -8.291 -10.383) 13.738 6.108 ( -14.395 15.161 -0.809) 20.922 6.493 ( 4.144 9.542 8.856) 13.662 6.751 ( -8.827 -0.370 -7.399) 11.524 6.889 ( -2.706 -5.521 -4.378) 7.548 7.418 ( 3.289 -9.666 10.176) 14.415 7.734 ( 12.277 -13.751 -2.377) 18.587 7.886 ( 1.887 7.054 -3.265) 7.999 8.026 ( -4.817 -5.173 -6.963) 9.922 8.402 ( 6.338 -17.532 -5.187) 19.351 8.695 ( -8.743 -6.082 -4.108) 11.415 9.102 ( 0.342 -1.745 -5.614) 5.889 9.211 ( -2.097 -1.398 -16.940) 17.127 9.706 ( -6.866 -4.913 -3.237) 9.042 10.192 ( 3.104 -4.513 -1.110) 5.589 10.651 ( -7.267 -1.699 -2.117) 7.758 10.880 ( 1.478 -0.908 5.931) 6.180 10.935 ( -3.013 -4.342 1.297) 5.441 11.231 ( 0.707 3.371 -5.547) 6.530 11.665 ( -10.181 1.392 -10.368) 14.598 11.815 ( 6.974 -2.716 0.712) 7.518 12.057 ( 10.036 4.045 2.867) 11.194 12.300 ( 1.447 -2.675 -1.339) 3.323 12.537 ( -2.435 -5.274 5.685) 8.128 12.728 ( -2.392 2.854 2.888) 4.713 13.062 ( -2.176 4.882 -5.045) 7.350 13.554 ( -2.220 -0.403 0.812) 2.398 13.814 ( -2.521 5.073 4.993) 7.551 14.065 ( -0.121 6.983 7.503) 10.251 14.253 ( 2.424 10.138 -0.024) 10.424 14.764 ( -5.240 10.072 1.658) 11.474 14.837 ( 6.754 -14.039 -0.035) 15.579 15.500 ( 2.658 -16.714 -7.364) 18.456 16.136 ( -3.481 -1.790 -3.893) 5.520 16.154 ( -12.650 -1.308 -7.770) 14.903 16.442 ( 1.133 4.695 -3.269) 5.832 16.763 ( -4.149 3.553 3.489) 6.481 17.094 ( -2.938 -7.146 -3.782) 8.602 17.535 ( 4.446 -6.781 15.756) 17.720 17.666 ( -2.178 -4.953 -6.886) 8.757 17.965 ( 7.751 -3.131 7.540) 11.258 18.168 ( 3.429 0.029 2.818) 4.439 18.510 ( 2.656 8.518 -2.662) 9.311 18.589 ( 0.162 2.822 -2.541) 3.801 18.651 ( 4.016 7.358 0.842) 8.424 18.964 ( 5.376 7.323 7.522) 11.795 19.211 ( 2.978 -5.823 5.892) 8.803 19.292 ( 0.277 0.529 2.640) 2.707 19.878 ( 0.431 0.265 -5.312) 5.336 20.311 ( -3.092 3.540 0.408) 4.718 21.610 ( 0.096 -0.470 0.389) 0.618 21.645 ( -1.106 -0.375 0.950) 1.505 21.728 ( -0.499 -0.374 1.291) 1.434 22.105 ( -5.195 -1.452 -1.109) 5.507 27.770 ( 0.487 -0.055 -0.986) 1.101 27.855 ( 0.614 1.733 -0.761) 1.989 27.877 ( -2.049 0.255 -0.118) 2.068 27.930 ( -0.157 -1.774 1.307) 2.209 35.679 ( 1.998 5.664 -1.953) 6.315 35.953 ( -1.166 -9.428 1.436) 9.608 36.509 ( -4.524 1.208 13.284) 14.085 37.489 ( 5.288 3.453 -20.397) 21.352 38.829 ( 3.138 -1.966 0.558) 3.744 39.042 ( 1.244 -0.818 -0.256) 1.510 39.864 ( 11.021 1.615 7.211) 13.269 40.292 ( 7.325 2.152 -3.166) 8.265 ======================= Grid point 146 (72/150) ======================= q-point: (-0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 9.301 -4.492 4.607) 11.309 1.015 ( -3.589 3.805 -2.299) 5.713 1.244 ( 3.221 8.936 12.431) 15.644 1.358 ( 3.143 0.038 5.380) 6.231 1.620 ( -7.441 6.642 8.322) 12.990 1.709 ( -3.107 -0.041 5.057) 5.935 2.289 ( 10.602 2.261 2.092) 11.040 2.656 ( 7.520 8.491 5.825) 12.751 2.870 ( -12.201 -15.230 0.686) 19.527 3.065 ( -12.351 3.652 -7.821) 15.068 3.235 ( 10.404 1.938 15.888) 19.090 3.841 ( 16.885 13.582 20.971) 30.155 4.143 ( -0.693 2.695 -1.451) 3.138 4.507 ( 10.169 9.829 25.490) 29.151 4.725 ( 17.278 9.830 24.854) 31.825 5.209 ( 12.584 -5.511 14.242) 19.788 5.368 ( 9.767 1.088 9.479) 13.654 5.396 ( -2.155 0.023 0.247) 2.169 5.741 ( -9.374 3.923 -7.015) 12.348 5.847 ( -1.869 -4.937 -6.601) 8.452 6.458 ( -6.474 10.013 -1.038) 11.968 6.533 ( 1.221 6.154 -0.938) 6.344 6.958 ( -1.201 -9.039 -1.775) 9.289 7.590 ( -3.762 -6.369 3.191) 8.056 7.668 ( 0.817 5.955 -10.686) 12.260 7.871 ( -9.155 -0.451 -13.575) 16.379 8.055 ( 5.332 -6.517 -0.330) 8.427 8.588 ( -3.162 -11.927 -7.466) 14.422 8.624 ( -4.200 -3.120 -6.452) 8.307 8.923 ( -13.753 -4.571 -14.945) 20.818 9.066 ( 1.783 5.173 -7.829) 9.552 9.601 ( -8.226 -2.933 -12.727) 15.435 10.297 ( 5.130 -5.337 -0.616) 7.429 10.562 ( -7.973 -2.672 -5.674) 10.144 10.821 ( -9.899 3.618 -0.369) 10.546 10.980 ( 6.847 0.220 -2.098) 7.164 11.249 ( 4.392 -3.726 -0.708) 5.802 11.448 ( -7.804 1.391 -8.410) 11.557 11.988 ( 10.309 -4.551 3.581) 11.824 12.138 ( 7.473 1.808 1.884) 7.916 12.314 ( -1.031 -2.731 -3.064) 4.232 12.648 ( -5.226 2.397 -3.670) 6.821 12.680 ( 2.013 -6.995 7.010) 10.105 12.995 ( -4.912 -2.247 0.731) 5.451 13.517 ( -2.737 4.243 1.992) 5.428 13.721 ( -1.442 8.938 -1.177) 9.130 14.039 ( 2.250 6.070 9.341) 11.365 14.255 ( -3.945 0.218 5.999) 7.183 14.662 ( -3.623 0.396 7.675) 8.497 15.005 ( 6.950 1.627 3.244) 7.841 15.602 ( -4.992 -4.435 -2.051) 6.986 15.921 ( -10.783 -0.502 -6.964) 12.846 16.155 ( -0.472 -10.931 -7.894) 13.492 16.369 ( 3.457 2.261 -6.863) 8.010 16.724 ( -3.897 -1.838 3.522) 5.565 17.126 ( -1.084 -2.693 -0.389) 2.929 17.576 ( -2.230 5.949 -5.330) 8.293 17.641 ( -4.038 2.919 -0.004) 4.983 18.024 ( -4.226 0.989 -0.788) 4.411 18.305 ( 10.208 10.758 -3.762) 15.300 18.471 ( 0.179 7.327 -3.728) 8.223 18.557 ( 16.997 -13.481 5.392) 22.354 18.667 ( 2.595 1.117 10.366) 10.745 19.115 ( 4.382 -1.994 10.661) 11.698 19.286 ( 1.541 -2.037 -2.497) 3.572 19.433 ( 3.692 -1.904 12.225) 12.911 19.851 ( 1.626 -2.991 -4.198) 5.405 20.233 ( -2.388 2.992 -0.753) 3.901 21.621 ( -0.238 -0.369 0.735) 0.856 21.656 ( -0.457 -1.224 0.950) 1.615 21.749 ( -0.987 -1.159 2.237) 2.706 22.006 ( -7.127 2.552 -2.780) 8.064 27.770 ( 1.413 0.358 -0.370) 1.504 27.818 ( -0.611 1.922 -1.077) 2.286 27.862 ( -0.383 -0.052 -0.071) 0.393 27.960 ( -0.525 -1.837 0.434) 1.960 35.657 ( 4.586 3.031 1.819) 5.791 36.042 ( -4.772 -6.729 -0.870) 8.295 36.596 ( -0.315 -0.925 10.630) 10.674 37.269 ( 6.954 11.761 -13.659) 19.320 38.817 ( 1.832 1.725 -5.845) 6.364 38.962 ( -0.671 5.313 -7.412) 9.144 40.160 ( 3.941 -8.659 11.022) 14.560 40.446 ( 18.202 -8.905 1.634) 20.330 ======================= Grid point 149 (73/150) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -4.253 -0.000 -3.990) 5.832 1.221 ( 5.409 0.000 0.086) 5.409 1.422 ( 1.323 0.000 0.196) 1.337 1.460 ( -14.398 -0.000 0.253) 14.400 1.592 ( -0.052 -0.000 2.517) 2.517 1.873 ( -1.425 -0.000 7.078) 7.220 1.903 ( -6.640 -0.000 -2.052) 6.950 2.680 ( 4.284 0.000 3.600) 5.596 3.151 ( 2.329 0.000 -2.549) 3.453 3.154 ( 10.062 0.000 9.632) 13.929 3.847 ( -1.143 -0.000 -10.883) 10.943 4.152 ( -18.792 -0.000 -19.444) 27.041 4.517 ( 4.541 0.000 11.709) 12.559 4.622 ( -6.995 -0.000 -4.991) 8.593 5.175 ( 4.191 0.000 -37.915) 38.146 5.202 ( 5.857 0.000 17.041) 18.019 5.479 ( 4.824 0.000 0.079) 4.825 5.769 ( 14.471 0.000 11.282) 18.349 5.927 ( 7.478 0.000 -1.182) 7.571 5.966 ( -14.458 -0.000 -21.050) 25.537 6.355 ( 2.264 0.000 -13.772) 13.957 6.559 ( 1.022 0.000 2.168) 2.396 7.300 ( -2.949 -0.000 -11.113) 11.497 7.362 ( -8.148 -0.000 -3.545) 8.886 7.480 ( 15.012 0.000 26.932) 30.833 7.580 ( -5.403 -0.000 1.923) 5.735 7.819 ( -9.195 -0.000 4.604) 10.284 8.083 ( -5.469 -0.000 9.537) 10.994 8.502 ( -6.492 -0.000 0.962) 6.563 8.811 ( -2.232 -0.000 -15.589) 15.748 9.001 ( 21.910 0.000 36.658) 42.707 9.073 ( -0.952 -0.000 -7.538) 7.598 10.070 ( -3.893 -0.000 -0.900) 3.996 10.419 ( 4.719 0.000 3.452) 5.847 10.613 ( -1.276 -0.000 6.929) 7.045 10.873 ( -7.624 -0.000 0.378) 7.633 11.296 ( 7.426 0.000 -2.273) 7.766 11.657 ( 5.260 0.000 5.520) 7.625 11.924 ( -1.614 -0.000 -3.894) 4.216 12.188 ( 1.570 0.000 -8.362) 8.508 12.233 ( -3.487 -0.000 1.247) 3.704 12.429 ( -7.893 -0.000 3.076) 8.471 12.751 ( 8.139 0.000 6.460) 10.391 13.413 ( 4.164 0.000 -0.984) 4.279 13.600 ( 4.731 0.000 0.718) 4.785 13.790 ( 7.085 0.000 -1.240) 7.192 14.241 ( -3.426 -0.000 -1.181) 3.623 14.384 ( -3.153 -0.000 7.404) 8.048 14.888 ( -10.319 -0.000 -2.238) 10.559 15.166 ( -6.483 -0.000 -13.438) 14.920 15.695 ( 4.249 0.000 5.245) 6.750 15.830 ( 1.598 0.000 11.937) 12.044 15.973 ( 6.124 0.000 0.749) 6.169 16.207 ( 4.738 0.000 4.908) 6.821 16.956 ( -7.270 -0.000 -10.292) 12.600 17.068 ( -2.811 -0.000 6.478) 7.062 17.177 ( -1.277 -0.000 -4.978) 5.139 17.234 ( -1.209 -0.000 3.755) 3.945 17.777 ( -1.254 -0.000 4.427) 4.601 18.145 ( -5.903 -0.000 -0.195) 5.906 18.184 ( 6.244 0.000 -1.114) 6.343 18.501 ( -5.881 -0.000 -9.478) 11.154 18.848 ( -6.932 -0.000 -6.816) 9.721 19.308 ( -9.769 -0.000 -4.027) 10.566 19.548 ( 5.745 0.000 2.658) 6.330 19.801 ( 1.346 0.000 -0.901) 1.620 20.104 ( 5.967 0.000 -4.027) 7.199 20.246 ( 8.048 0.000 1.428) 8.173 21.599 ( -1.135 -0.000 0.550) 1.262 21.741 ( -2.054 -0.000 1.939) 2.825 21.754 ( 0.003 0.000 -1.865) 1.865 21.895 ( 0.759 0.000 5.269) 5.324 27.707 ( -0.494 -0.000 0.039) 0.495 27.807 ( 0.226 0.000 -0.756) 0.789 27.893 ( -0.602 -0.000 -1.699) 1.802 27.963 ( 0.595 0.000 1.863) 1.956 35.534 ( -6.161 -0.000 -4.582) 7.678 36.089 ( 0.156 0.000 14.134) 14.135 36.506 ( -6.270 -0.000 -8.174) 10.302 37.092 ( 1.833 0.000 -5.987) 6.261 38.527 ( -1.512 -0.000 -0.176) 1.522 38.717 ( 0.942 0.000 -0.863) 1.278 40.445 ( 2.082 0.000 -3.624) 4.180 40.874 ( 1.131 0.000 -8.384) 8.460 ======================= Grid point 150 (74/150) ======================= q-point: ( 0.38 0.25 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -2.408 2.769 -3.331) 4.956 1.254 ( 2.755 1.190 -0.586) 3.058 1.299 ( -11.958 -1.869 -1.368) 12.180 1.467 ( -1.699 -4.408 0.898) 4.809 1.614 ( 1.704 0.949 1.026) 2.204 1.853 ( -2.012 -0.229 0.063) 2.026 1.914 ( -2.481 0.816 6.305) 6.825 2.782 ( 7.354 1.141 4.533) 8.714 3.081 ( -3.737 1.605 -6.284) 7.486 3.355 ( 8.287 -0.104 10.901) 13.694 3.715 ( -7.299 1.419 -9.831) 12.327 3.771 ( -13.788 -0.515 -10.215) 17.167 4.341 ( 1.992 21.158 -18.405) 28.114 4.638 ( 5.231 4.378 1.874) 7.074 4.971 ( 4.032 -3.499 -17.508) 18.304 5.396 ( 4.323 8.733 3.021) 10.202 5.503 ( 13.486 -3.819 5.490) 15.053 5.598 ( -9.996 -4.516 -19.992) 22.803 5.953 ( 5.244 -1.223 -2.559) 5.962 6.241 ( 4.931 -5.661 0.352) 7.516 6.264 ( 15.729 -2.257 11.801) 19.793 6.642 ( 1.679 -5.401 -3.897) 6.868 7.140 ( -5.242 -0.455 -9.216) 10.612 7.212 ( -12.175 2.728 -1.649) 12.585 7.434 ( -5.303 8.656 -1.440) 10.253 7.758 ( -10.659 -3.591 3.427) 11.758 7.984 ( 8.503 3.192 22.027) 23.826 8.146 ( -5.458 -5.102 11.908) 14.058 8.376 ( -4.902 3.753 7.318) 9.574 8.680 ( -1.465 -3.569 -9.957) 10.678 9.024 ( -1.508 -6.198 -6.641) 9.208 9.477 ( 9.730 -2.455 17.529) 20.198 10.046 ( -2.228 -1.377 0.428) 2.653 10.527 ( 3.695 -1.352 4.456) 5.945 10.705 ( 3.927 0.298 9.492) 10.277 10.785 ( -7.281 0.727 0.419) 7.329 11.349 ( 5.397 -2.157 -4.557) 7.385 11.756 ( 3.218 1.272 6.097) 7.010 11.874 ( 0.160 0.809 -4.354) 4.431 12.141 ( 2.176 -1.110 -6.292) 6.749 12.224 ( -2.648 -0.052 3.711) 4.559 12.407 ( -2.868 -0.679 1.735) 3.420 12.868 ( 5.097 1.735 3.762) 6.568 13.414 ( 0.418 -0.337 -2.668) 2.722 13.604 ( 7.944 6.431 -0.786) 10.251 13.869 ( 4.520 -2.403 -2.004) 5.498 14.173 ( -1.417 0.280 -2.544) 2.925 14.364 ( -8.909 0.571 -1.578) 9.065 14.768 ( -10.072 4.562 5.396) 12.304 15.021 ( -2.884 -4.271 -7.510) 9.108 15.679 ( 0.066 8.685 -0.320) 8.692 15.925 ( -2.125 -2.898 5.212) 6.330 16.107 ( 8.726 -0.505 4.489) 9.826 16.330 ( 8.224 2.789 9.252) 12.689 16.819 ( -5.230 -4.519 -6.233) 9.307 17.095 ( -5.768 -4.366 0.628) 7.262 17.133 ( -0.670 4.768 3.368) 5.876 17.302 ( -1.873 -8.958 1.003) 9.207 17.775 ( -2.596 2.497 3.318) 4.897 18.089 ( -3.133 -0.315 -0.737) 3.234 18.329 ( 6.649 -7.791 3.425) 10.800 18.384 ( -3.761 -2.542 -5.469) 7.108 18.726 ( -3.314 1.711 -3.792) 5.319 19.126 ( -8.864 0.108 -9.254) 12.814 19.592 ( 4.510 4.996 0.589) 6.756 19.806 ( 0.414 1.168 -0.359) 1.290 20.036 ( 7.304 10.597 -5.578) 14.027 20.357 ( 3.965 -3.774 -0.748) 5.525 21.594 ( -0.793 0.069 0.540) 0.962 21.712 ( -0.726 1.955 0.049) 2.086 21.751 ( -1.354 -0.736 -0.308) 1.572 21.961 ( -0.467 -1.739 5.113) 5.421 27.711 ( -0.434 -0.874 0.427) 1.065 27.806 ( -0.049 -1.116 -1.051) 1.534 27.879 ( -0.010 -0.152 -0.567) 0.587 27.976 ( 0.120 0.932 1.186) 1.514 35.474 ( -2.980 -3.805 -2.406) 5.399 36.200 ( -9.472 -4.012 6.786) 12.323 36.345 ( 1.828 8.780 -0.296) 8.973 37.122 ( 3.003 -9.676 -6.178) 11.866 38.535 ( -0.724 -0.265 3.750) 3.828 38.747 ( 0.378 -3.062 1.241) 3.325 40.384 ( 3.981 4.692 -9.041) 10.937 40.754 ( 0.867 5.458 -10.371) 11.752 ======================= Grid point 151 (75/150) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 2.312 2.778 -0.444) 3.642 1.241 ( -5.808 -4.752 -0.592) 7.528 1.248 ( 1.619 0.256 -3.463) 3.831 1.523 ( -2.530 -5.412 2.085) 6.327 1.619 ( 1.553 1.869 0.278) 2.446 1.855 ( -0.558 -0.837 1.255) 1.608 1.916 ( -4.041 1.618 4.927) 6.574 2.863 ( 8.473 5.481 2.141) 10.316 2.944 ( -5.700 2.220 -5.621) 8.308 3.424 ( -7.935 9.369 -0.231) 12.280 3.559 ( 4.853 6.810 18.856) 20.627 3.740 ( 1.502 -10.636 -14.441) 17.998 3.947 ( 12.098 16.178 -13.289) 24.180 4.560 ( 3.430 9.893 -4.232) 11.294 4.895 ( 2.347 3.651 -5.382) 6.913 5.276 ( 6.855 10.930 -0.850) 12.929 5.471 ( -1.047 1.098 -4.485) 4.735 5.874 ( 5.811 1.630 -10.469) 12.084 5.899 ( 5.649 -13.461 3.503) 15.012 6.343 ( 7.463 1.990 10.253) 12.836 6.538 ( -6.689 5.904 -5.604) 10.536 6.630 ( -5.596 -9.406 7.301) 13.156 6.998 ( -1.778 3.370 -2.183) 4.392 7.149 ( 3.255 -5.773 -0.889) 6.687 7.260 ( -7.205 0.884 -6.194) 9.543 7.750 ( -8.560 -6.732 1.770) 11.033 7.915 ( 0.931 10.430 5.413) 11.787 8.209 ( -4.660 3.491 9.443) 11.093 8.618 ( -5.049 -6.708 -5.418) 9.993 8.747 ( 8.831 -9.277 20.978) 24.579 9.063 ( 2.374 -7.823 -6.736) 10.593 9.601 ( -6.099 -4.146 -1.998) 7.641 10.058 ( -0.711 -1.826 0.935) 2.171 10.617 ( -0.609 -4.074 4.024) 5.758 10.702 ( -5.415 -0.216 -1.041) 5.518 10.843 ( 1.778 0.655 9.367) 9.556 11.356 ( 1.516 -1.998 -7.953) 8.339 11.789 ( 0.382 1.426 -0.043) 1.477 11.822 ( -1.199 0.213 -4.264) 4.434 12.146 ( 6.248 1.362 -1.514) 6.571 12.243 ( 1.338 2.044 3.296) 4.102 12.401 ( -3.749 -1.005 3.084) 4.957 12.874 ( -0.911 3.522 0.559) 3.681 13.426 ( -0.248 -3.813 -0.417) 3.844 13.550 ( 6.009 10.408 -6.722) 13.770 13.921 ( 3.102 -0.319 0.960) 3.263 14.183 ( -0.945 0.922 1.490) 1.991 14.239 ( -0.932 -5.476 -4.333) 7.045 14.651 ( -6.074 6.378 4.624) 9.947 15.047 ( -0.493 -5.595 -0.712) 5.662 15.471 ( -0.022 19.238 -2.997) 19.470 15.973 ( -6.228 -5.493 2.078) 8.560 16.202 ( 2.934 -1.775 1.111) 3.605 16.492 ( 6.473 0.569 7.384) 9.836 16.830 ( -2.151 -9.954 -5.554) 11.600 17.076 ( -5.147 6.442 6.196) 10.314 17.108 ( -3.196 -3.177 4.248) 6.193 17.394 ( -2.985 -10.450 -4.331) 11.699 17.764 ( -0.800 0.323 4.938) 5.012 18.086 ( -0.507 -1.807 1.148) 2.200 18.405 ( 1.856 -4.746 1.613) 5.346 18.560 ( 5.486 -10.120 5.015) 12.556 18.668 ( 1.300 3.702 1.786) 4.311 18.971 ( -3.480 -0.826 -9.146) 9.820 19.530 ( 2.588 8.373 -2.049) 9.000 19.709 ( -0.906 13.976 0.065) 14.006 19.944 ( 6.675 3.485 -8.154) 11.099 20.398 ( -0.099 -1.291 -1.652) 2.098 21.592 ( -0.605 -0.080 0.617) 0.868 21.681 ( -0.614 1.567 -0.176) 1.692 21.739 ( -0.962 0.147 0.012) 0.973 22.021 ( -2.248 -2.670 3.750) 5.123 27.726 ( -0.477 -1.462 0.286) 1.564 27.817 ( 0.014 -1.969 -0.909) 2.169 27.885 ( 0.299 -0.494 0.510) 0.771 27.963 ( -0.551 1.805 0.338) 1.917 35.521 ( -0.109 -7.542 -0.392) 7.553 36.041 ( -9.926 2.448 -8.169) 13.086 36.419 ( 2.003 3.234 16.654) 17.083 37.262 ( 5.036 -12.662 -6.754) 15.209 38.602 ( 1.199 -1.357 8.055) 8.256 38.824 ( -0.125 -5.110 2.863) 5.859 40.240 ( 5.659 8.393 -12.786) 16.308 40.565 ( 1.425 7.581 -12.033) 14.293 ======================= Grid point 152 (76/150) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 7.197 -0.428 4.372) 8.432 1.203 ( -0.291 2.450 -2.906) 3.812 1.261 ( -1.852 -4.057 -1.196) 4.617 1.557 ( 1.126 1.756 -2.431) 3.203 1.637 ( -2.776 -2.682 6.172) 7.280 1.833 ( -5.638 3.841 4.390) 8.113 1.961 ( 2.233 -7.835 1.337) 8.255 2.762 ( 0.481 10.260 -4.949) 11.401 2.888 ( 2.206 0.825 -2.018) 3.101 3.286 ( -1.611 10.719 10.746) 15.264 3.516 ( 1.699 11.546 -6.508) 13.362 3.852 ( 12.230 -0.149 14.461) 18.940 4.046 ( 17.531 -5.748 -2.467) 18.614 4.471 ( 7.506 9.411 4.177) 12.742 4.861 ( 5.784 4.331 2.576) 7.671 5.241 ( 5.749 8.810 3.765) 11.173 5.410 ( 1.300 4.826 0.009) 4.998 5.701 ( -3.646 6.432 -10.035) 12.464 5.865 ( -11.500 11.704 -0.647) 16.421 6.390 ( -9.749 3.490 -9.576) 14.105 6.488 ( 0.012 1.633 9.414) 9.555 6.727 ( 8.862 -9.660 7.759) 15.233 6.927 ( -11.777 -0.023 -6.675) 13.537 7.133 ( 0.233 -1.329 3.929) 4.154 7.407 ( 13.718 -7.753 6.781) 17.155 7.865 ( -1.126 -15.889 -6.078) 17.049 7.940 ( 4.494 -2.847 4.051) 6.686 8.156 ( -2.826 8.758 4.505) 10.246 8.543 ( -9.960 -5.440 -6.745) 13.202 9.001 ( -6.134 -5.813 -2.748) 8.887 9.130 ( 6.265 -3.577 -6.186) 9.503 9.532 ( -10.181 -7.935 -2.687) 13.184 10.099 ( 1.487 -2.264 0.892) 2.851 10.614 ( -7.512 -1.401 -2.285) 7.976 10.740 ( -0.297 -6.128 5.403) 8.175 10.894 ( -4.053 -0.048 5.610) 6.922 11.292 ( 0.307 0.281 -7.852) 7.863 11.695 ( -7.924 0.536 -8.390) 11.553 11.795 ( 5.264 1.475 -0.821) 5.528 12.202 ( 7.808 2.450 1.004) 8.245 12.249 ( 3.498 3.013 -0.410) 4.635 12.445 ( -2.064 -2.209 8.686) 9.197 12.800 ( -3.869 2.423 -0.727) 4.623 13.316 ( -1.008 12.502 -12.468) 17.685 13.479 ( -1.570 -4.043 2.122) 4.828 13.930 ( -1.379 3.199 2.625) 4.361 14.194 ( 2.092 1.498 5.606) 6.168 14.401 ( 3.595 -12.368 -0.903) 12.912 14.559 ( 0.930 8.115 0.870) 8.214 15.128 ( 2.832 -7.068 -2.407) 7.986 15.197 ( 2.918 17.672 1.013) 17.940 15.955 ( -11.349 -6.215 -3.202) 13.330 16.204 ( -7.056 -0.471 -3.300) 7.804 16.543 ( 3.785 2.586 -1.678) 4.882 16.920 ( 2.586 -6.006 -3.241) 7.298 16.951 ( -5.117 8.687 5.929) 11.696 17.245 ( -3.559 -10.905 11.608) 16.320 17.456 ( -1.130 -9.801 -4.342) 10.779 17.866 ( 3.131 -3.957 7.234) 8.820 18.133 ( 0.243 -2.316 3.085) 3.865 18.538 ( 4.538 -3.154 4.522) 7.141 18.672 ( 3.842 5.101 5.113) 8.181 18.808 ( 7.085 -6.841 5.716) 11.387 18.905 ( 1.363 -2.902 -6.220) 6.998 19.412 ( 2.037 10.442 -0.232) 10.641 19.468 ( -0.301 16.787 -2.945) 17.046 19.896 ( 2.827 1.055 -7.271) 7.872 20.366 ( -3.204 0.368 -2.058) 3.826 21.595 ( -0.475 -0.402 0.674) 0.917 21.655 ( -0.721 1.014 -0.148) 1.253 21.733 ( -0.072 0.305 0.877) 0.932 22.048 ( -4.043 -2.528 1.298) 4.942 27.743 ( -0.144 -1.578 -0.154) 1.592 27.836 ( -0.158 -1.999 -0.606) 2.095 27.903 ( 0.239 -0.560 0.774) 0.985 27.925 ( -1.148 2.310 -0.275) 2.594 35.647 ( 1.914 -9.164 0.317) 9.367 35.851 ( -5.792 2.266 -5.559) 8.342 36.552 ( -1.308 2.997 17.185) 17.494 37.388 ( 5.316 -8.370 -9.056) 13.428 38.749 ( 3.563 -3.246 8.122) 9.444 38.934 ( 0.594 -5.788 5.004) 7.674 40.057 ( 5.893 9.244 -11.732) 16.056 40.381 ( 3.017 4.836 -11.802) 13.106 ======================= Grid point 153 (77/150) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 7.963 -2.498 5.981) 10.268 1.115 ( -2.485 3.362 -3.987) 5.777 1.289 ( -1.011 -2.847 1.600) 3.419 1.495 ( 1.621 6.821 1.123) 7.100 1.695 ( -3.373 -1.391 6.014) 7.034 1.763 ( -5.858 3.244 4.018) 7.809 2.174 ( 6.057 -12.827 2.421) 14.390 2.621 ( -5.084 1.062 -2.687) 5.848 2.866 ( 6.632 6.109 -2.220) 9.286 3.187 ( -9.524 4.765 -4.930) 11.735 3.441 ( 13.486 10.988 11.408) 20.803 4.135 ( 12.808 6.415 19.545) 24.233 4.211 ( 7.209 1.325 -2.114) 7.628 4.571 ( 11.555 6.811 12.937) 18.635 4.986 ( 8.746 -3.298 7.361) 11.898 5.249 ( 8.400 7.395 13.962) 17.894 5.373 ( 1.391 2.198 -10.967) 11.271 5.487 ( 0.724 4.982 6.899) 8.541 5.738 ( 1.188 4.887 3.221) 5.972 6.040 ( -14.016 10.612 -7.365) 19.060 6.506 ( -5.666 2.154 -5.605) 8.256 6.697 ( -6.301 2.642 0.529) 6.853 6.946 ( 4.807 6.126 11.965) 14.275 7.329 ( -2.417 -14.915 -0.130) 15.110 7.704 ( 10.270 -5.671 -0.437) 11.740 7.877 ( 5.353 -3.336 -4.721) 7.879 8.011 ( -3.008 9.876 0.292) 10.328 8.170 ( 2.080 -16.258 -3.210) 16.702 8.467 ( -9.920 -7.682 -2.093) 12.720 8.777 ( -20.898 -6.161 -18.355) 28.488 9.146 ( 5.013 -0.654 -8.613) 9.987 9.513 ( -7.820 -2.999 -3.758) 9.180 10.170 ( 3.681 -3.435 0.570) 5.067 10.509 ( -8.441 -1.207 -4.622) 9.699 10.829 ( -7.723 -3.522 2.175) 8.762 10.934 ( 1.760 -2.377 6.100) 6.779 11.232 ( 1.816 1.241 -4.361) 4.884 11.500 ( -7.004 2.423 -8.883) 11.569 11.881 ( 8.704 -2.463 1.927) 9.249 12.236 ( -0.287 -2.713 -3.836) 4.707 12.246 ( 7.248 5.789 1.419) 9.384 12.566 ( 2.626 -1.553 8.933) 9.439 12.716 ( -4.120 1.862 -3.413) 5.665 13.041 ( -3.736 7.016 -8.212) 11.428 13.541 ( -1.801 -2.360 5.114) 5.913 13.879 ( -3.215 3.983 1.859) 5.446 14.223 ( -0.376 3.732 3.273) 4.978 14.369 ( -5.568 5.835 -2.472) 8.435 14.613 ( 5.444 -3.006 2.710) 6.783 15.114 ( 8.977 8.149 7.948) 14.497 15.332 ( 8.501 -11.084 0.872) 13.996 15.829 ( -15.751 -6.180 -9.443) 19.377 16.029 ( -9.370 0.289 -7.345) 11.910 16.482 ( 1.615 5.719 -8.674) 10.514 16.790 ( -4.983 4.909 2.818) 7.541 17.065 ( 4.288 -0.970 6.576) 7.911 17.423 ( -4.468 -9.665 -2.880) 11.030 17.607 ( 0.552 -10.532 10.381) 14.798 17.998 ( 0.190 -2.757 3.083) 4.140 18.268 ( 8.451 -5.452 7.569) 12.587 18.603 ( 2.052 2.107 -0.440) 2.974 18.677 ( 4.350 8.094 1.446) 9.302 18.844 ( 6.388 11.336 -1.095) 13.058 19.028 ( 1.582 -7.258 3.892) 8.386 19.277 ( 0.846 5.059 -3.422) 6.166 19.374 ( 3.687 1.997 6.466) 7.706 19.842 ( 1.843 1.061 -4.625) 5.091 20.290 ( -4.709 1.024 -2.282) 5.331 21.606 ( -0.121 -0.832 0.674) 1.078 21.636 ( -1.021 0.337 0.035) 1.076 21.748 ( 0.645 0.271 2.244) 2.351 22.021 ( -5.307 -0.981 -1.141) 5.516 27.763 ( 0.871 -1.170 -0.261) 1.482 27.847 ( -1.141 -1.093 -0.681) 1.720 27.876 ( -0.632 2.120 -0.584) 2.288 27.921 ( -0.152 -0.731 0.702) 1.025 35.728 ( 1.695 0.947 -2.011) 2.795 35.822 ( -1.099 -8.995 0.035) 9.062 36.634 ( -3.871 3.806 14.563) 15.542 37.408 ( 5.099 -0.491 -9.776) 11.037 38.848 ( 2.943 -0.096 -0.391) 2.971 39.057 ( 1.886 -0.741 1.901) 2.779 39.970 ( 4.743 -1.296 -1.877) 5.263 40.311 ( 6.078 -2.113 -7.408) 9.812 ======================= Grid point 154 (78/150) ======================= q-point: (-0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 5.330 -2.938 4.353) 7.482 0.996 ( -2.457 3.140 -4.065) 5.694 1.345 ( 0.040 -3.072 1.900) 3.612 1.472 ( 2.751 3.658 4.037) 6.103 1.695 ( -6.895 4.214 6.406) 10.312 1.727 ( -3.559 -0.284 6.267) 7.213 2.419 ( 11.293 -4.845 3.183) 12.694 2.540 ( -15.085 -7.104 -4.143) 17.181 2.849 ( 3.251 2.938 -0.769) 4.449 2.970 ( -2.574 7.336 -2.190) 8.077 3.624 ( 17.894 7.368 13.236) 23.446 4.093 ( -7.466 7.100 -3.625) 10.922 4.340 ( 11.354 6.731 17.288) 21.751 4.761 ( 5.447 0.742 15.078) 16.049 5.161 ( -4.338 -10.695 -10.287) 15.460 5.282 ( 11.855 3.021 4.276) 12.959 5.519 ( 12.528 3.328 2.560) 13.213 5.647 ( -5.766 -0.755 1.880) 6.111 5.751 ( 15.674 1.533 25.828) 30.251 5.843 ( 6.084 5.185 5.483) 9.694 6.247 ( -11.733 -0.652 -15.236) 19.241 6.685 ( 1.192 4.108 2.645) 5.029 7.026 ( 3.514 5.044 11.804) 13.308 7.256 ( -7.711 -0.733 -14.757) 16.667 7.694 ( 4.995 3.118 -9.050) 10.797 7.853 ( -7.423 6.815 5.174) 11.327 8.098 ( 3.891 -2.368 6.265) 7.746 8.234 ( -13.194 -10.918 -10.025) 19.844 8.486 ( -6.676 -6.152 -4.515) 10.139 8.554 ( -7.807 -10.337 -5.036) 13.898 9.076 ( 1.959 4.516 -8.678) 9.977 9.351 ( -6.736 -1.157 -14.108) 15.676 10.276 ( 5.246 -4.701 -0.403) 7.056 10.383 ( -7.655 -1.269 -6.816) 10.328 10.756 ( -9.300 2.136 2.495) 9.863 11.036 ( 3.857 -1.322 0.586) 4.119 11.175 ( -4.324 0.184 -4.810) 6.470 11.381 ( 2.290 -0.257 -3.593) 4.269 12.061 ( 9.271 -4.852 2.595) 10.781 12.206 ( -0.515 -0.161 -5.855) 5.880 12.282 ( 5.439 1.350 2.750) 6.242 12.570 ( -3.940 3.046 -7.916) 9.352 12.708 ( 1.728 -2.888 7.248) 7.991 12.931 ( -2.665 -1.273 -0.941) 3.100 13.555 ( -5.567 3.678 4.034) 7.797 13.800 ( -0.129 4.258 -0.011) 4.259 14.201 ( -2.496 1.948 6.059) 6.836 14.249 ( -3.258 2.798 2.042) 4.756 14.775 ( 9.120 -0.392 11.827) 14.940 15.225 ( 8.089 4.086 9.446) 13.090 15.472 ( -5.847 -2.312 -6.996) 9.406 15.682 ( -7.204 -8.306 -3.054) 11.411 15.965 ( -0.506 -7.068 -5.047) 8.699 16.269 ( -2.843 2.504 -16.790) 17.212 16.790 ( 0.450 1.474 9.075) 9.205 17.160 ( 2.485 1.467 6.122) 6.769 17.401 ( -5.409 -5.228 -8.407) 11.281 17.715 ( -5.125 5.967 3.750) 8.713 18.009 ( -3.213 2.039 1.491) 4.087 18.486 ( -2.255 12.193 -5.790) 13.685 18.557 ( 5.365 3.949 -4.197) 7.874 18.580 ( 13.419 -6.554 1.904) 15.055 18.836 ( 4.002 1.304 10.985) 11.764 19.153 ( -0.189 -3.095 4.416) 5.396 19.228 ( -0.800 -1.518 -3.465) 3.867 19.524 ( 3.929 -8.178 2.621) 9.444 19.852 ( 4.660 1.497 3.245) 5.873 20.206 ( -3.546 0.594 -2.957) 4.656 21.620 ( -0.555 0.129 0.371) 0.680 21.633 ( -0.564 -1.823 0.695) 2.031 21.780 ( 0.930 0.672 3.486) 3.670 21.945 ( -5.036 1.178 -1.959) 5.531 27.789 ( 2.040 -0.478 -0.004) 2.095 27.811 ( -1.885 1.365 -1.277) 2.655 27.866 ( 0.246 0.014 0.582) 0.632 27.933 ( -0.578 -1.207 -0.214) 1.355 35.742 ( 2.780 -0.063 1.661) 3.239 35.902 ( -2.213 -5.375 -2.236) 6.228 36.660 ( -5.377 1.741 9.134) 10.742 37.343 ( 6.117 5.901 -7.308) 11.209 38.832 ( 2.937 3.316 -3.746) 5.801 38.964 ( -1.009 7.852 -8.216) 11.410 40.133 ( 0.837 -10.935 4.799) 11.971 40.447 ( 9.852 -11.940 -1.747) 15.578 ======================= Grid point 158 (79/150) ======================= q-point: ( 0.38 0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 1.070 0.000 -0.620) 1.237 1.109 ( -14.144 -0.000 0.421) 14.150 1.279 ( 2.222 0.000 -3.092) 3.807 1.438 ( 0.916 0.000 -1.138) 1.461 1.650 ( 0.955 0.000 1.714) 1.962 1.846 ( -0.108 -0.000 1.027) 1.032 1.941 ( -3.900 -0.000 4.697) 6.105 2.844 ( -5.088 -0.000 -2.697) 5.759 3.043 ( 8.482 0.000 0.062) 8.483 3.501 ( -0.399 -0.000 0.254) 0.473 3.579 ( 3.523 0.000 -12.139) 12.640 3.678 ( -2.233 -0.000 17.985) 18.123 4.490 ( 6.016 0.000 -8.409) 10.340 4.650 ( 0.066 0.000 -14.548) 14.549 4.824 ( 16.742 0.000 -14.287) 22.009 5.188 ( -4.511 -0.000 -15.811) 16.442 5.580 ( 6.334 0.000 3.836) 7.405 5.715 ( 14.873 0.000 2.408) 15.067 6.053 ( -4.229 -0.000 -4.290) 6.024 6.194 ( 10.119 0.000 8.690) 13.339 6.558 ( 1.464 0.000 -1.588) 2.160 6.599 ( 20.078 0.000 4.325) 20.539 6.944 ( -6.025 -0.000 -10.482) 12.090 7.088 ( -13.027 -0.000 0.299) 13.031 7.413 ( -9.250 -0.000 -4.402) 10.244 7.563 ( -17.250 -0.000 3.490) 17.599 8.141 ( -6.216 -0.000 10.765) 12.431 8.432 ( -13.713 -0.000 -2.632) 13.964 8.465 ( -3.889 -0.000 8.293) 9.160 8.533 ( 17.092 0.000 32.275) 36.521 8.925 ( 5.741 0.000 -7.179) 9.192 9.539 ( -8.122 -0.000 -3.877) 8.999 10.036 ( -0.690 -0.000 2.160) 2.267 10.561 ( -0.665 -0.000 2.079) 2.183 10.701 ( -6.459 -0.000 -1.042) 6.543 10.858 ( 2.284 0.000 9.636) 9.903 11.313 ( 2.378 0.000 -8.330) 8.663 11.775 ( -3.308 -0.000 -1.743) 3.739 11.862 ( 2.096 0.000 -2.879) 3.561 12.139 ( 2.389 0.000 -0.076) 2.390 12.278 ( 0.345 0.000 10.077) 10.083 12.416 ( 2.538 0.000 0.445) 2.577 12.910 ( 0.685 0.000 -4.202) 4.258 13.373 ( -0.411 -0.000 -3.452) 3.476 13.689 ( 5.646 0.000 -2.800) 6.302 13.928 ( 7.046 0.000 1.133) 7.137 14.128 ( 2.172 0.000 -3.482) 4.104 14.221 ( -10.790 -0.000 -6.914) 12.815 14.785 ( -11.188 -0.000 12.478) 16.759 14.952 ( 0.794 0.000 1.534) 1.727 15.786 ( 5.164 0.000 1.305) 5.326 15.896 ( -5.122 -0.000 1.838) 5.442 16.172 ( 2.135 0.000 -2.089) 2.987 16.504 ( -2.017 -0.000 7.161) 7.440 16.676 ( 0.240 0.000 -1.881) 1.896 16.987 ( -3.545 -0.000 -4.207) 5.501 17.200 ( -2.068 -0.000 -1.482) 2.544 17.250 ( 0.997 0.000 8.516) 8.575 17.806 ( -1.768 -0.000 2.866) 3.368 18.065 ( -0.765 -0.000 1.076) 1.321 18.300 ( 0.020 0.000 0.797) 0.798 18.404 ( 5.235 0.000 4.842) 7.131 18.723 ( 1.943 0.000 1.946) 2.750 18.962 ( -3.324 -0.000 -8.686) 9.301 19.667 ( 2.005 0.000 -0.523) 2.072 19.794 ( 0.884 0.000 -3.243) 3.361 20.129 ( 4.019 0.000 -5.749) 7.015 20.332 ( 3.212 0.000 -4.784) 5.762 21.592 ( -0.700 -0.000 0.674) 0.972 21.714 ( -0.019 -0.000 -1.866) 1.866 21.732 ( -1.811 -0.000 1.405) 2.292 21.981 ( -2.231 -0.000 4.271) 4.819 27.706 ( -0.654 -0.000 0.790) 1.026 27.787 ( 0.351 0.000 -1.412) 1.455 27.876 ( 0.165 0.000 0.104) 0.195 27.989 ( -0.396 -0.000 0.360) 0.535 35.413 ( -0.816 -0.000 -0.492) 0.953 36.038 ( -12.008 -0.000 -5.488) 13.203 36.533 ( 5.255 0.000 12.548) 13.604 37.043 ( 4.856 0.000 -3.290) 5.866 38.593 ( 0.441 0.000 8.160) 8.172 38.745 ( 0.320 0.000 2.033) 2.058 40.349 ( 4.465 0.000 -13.586) 14.301 40.679 ( 1.042 0.000 -14.118) 14.156 ======================= Grid point 159 (80/150) ======================= q-point: ( 0.50 0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 4.826 1.971 2.933) 5.981 1.060 ( -5.731 -7.596 1.260) 9.598 1.249 ( 0.685 1.058 -4.436) 4.612 1.455 ( -0.140 -3.456 -1.103) 3.631 1.664 ( 0.077 1.541 2.065) 2.578 1.868 ( 1.168 -0.081 2.141) 2.440 1.919 ( -5.987 0.850 3.087) 6.789 2.746 ( -7.303 -2.978 -5.736) 9.752 3.105 ( 5.954 6.219 -0.810) 8.648 3.436 ( -6.344 2.108 1.366) 6.823 3.626 ( 16.169 -3.034 -5.024) 17.201 3.903 ( 7.228 4.115 17.190) 19.096 4.241 ( 15.550 19.295 -6.850) 25.711 4.629 ( 0.145 -1.141 -2.508) 2.759 4.931 ( 11.274 -0.340 -2.860) 11.636 5.146 ( 1.220 -11.335 -9.569) 14.884 5.628 ( 10.577 8.028 -0.481) 13.287 5.834 ( -9.651 5.351 -8.005) 13.633 5.954 ( 12.848 -3.942 3.242) 13.825 6.357 ( 1.644 0.889 -5.072) 5.405 6.529 ( -1.069 0.814 5.437) 5.601 6.730 ( 4.232 1.485 4.724) 6.514 6.950 ( -1.771 -2.773 0.979) 3.433 7.070 ( 1.094 -0.814 -8.101) 8.215 7.158 ( -1.561 -0.813 1.238) 2.152 7.551 ( -13.932 -10.536 6.479) 18.630 8.109 ( -3.553 8.237 3.803) 9.743 8.256 ( -12.963 -3.085 3.890) 13.882 8.475 ( -3.910 3.598 4.939) 7.254 8.911 ( 5.575 0.118 1.514) 5.778 9.064 ( 6.901 -0.474 8.630) 11.060 9.301 ( -16.249 -8.786 -9.770) 20.896 10.068 ( 1.115 -0.356 3.485) 3.676 10.558 ( -5.552 -2.103 0.321) 5.946 10.652 ( -2.837 -0.849 1.999) 3.573 10.909 ( -3.988 0.792 4.676) 6.197 11.255 ( 1.172 -1.902 -8.623) 8.908 11.692 ( -5.694 -0.461 -5.722) 8.085 11.860 ( 3.631 2.246 -0.395) 4.288 12.162 ( 0.852 -1.547 -1.141) 2.102 12.400 ( -1.724 -0.901 13.307) 13.449 12.441 ( 7.932 5.881 1.310) 9.961 12.831 ( -3.723 -0.295 -7.006) 7.939 13.367 ( 0.033 -2.821 -1.525) 3.207 13.635 ( 1.743 8.825 -8.503) 12.378 13.966 ( 0.702 0.173 -3.123) 3.205 14.119 ( -0.720 -4.257 0.069) 4.318 14.191 ( 6.097 -4.090 -0.433) 7.355 14.745 ( -7.141 5.713 9.631) 13.281 15.026 ( 1.207 -2.168 5.009) 5.590 15.686 ( 0.018 14.912 -6.879) 16.422 15.848 ( -7.510 -1.912 -1.992) 8.001 16.166 ( -4.350 -0.012 0.537) 4.383 16.491 ( -4.171 -9.629 -0.729) 10.519 16.767 ( 5.714 1.314 2.449) 6.354 16.983 ( -2.987 -7.389 3.755) 8.810 17.214 ( 1.505 -0.215 1.746) 2.315 17.298 ( 0.370 4.258 5.335) 6.836 17.807 ( -0.364 0.075 3.192) 3.214 18.087 ( 0.236 -0.454 2.819) 2.865 18.420 ( 4.657 -9.373 5.130) 11.656 18.503 ( 0.725 -4.229 1.882) 4.685 18.790 ( 5.001 2.611 6.543) 8.639 18.921 ( 6.144 0.476 -2.015) 6.484 19.623 ( 0.305 5.702 -2.005) 6.052 19.757 ( -2.713 1.130 -3.258) 4.388 20.027 ( 5.422 8.911 -9.570) 14.156 20.326 ( -0.418 -3.073 -5.823) 6.598 21.591 ( -0.702 0.026 0.775) 1.046 21.688 ( -0.106 1.224 -1.133) 1.671 21.732 ( -1.018 -0.443 1.043) 1.523 21.992 ( -3.773 -1.308 2.515) 4.720 27.711 ( -0.590 -0.650 0.672) 1.105 27.788 ( 0.645 -1.214 -1.129) 1.779 27.886 ( 0.414 -0.555 0.430) 0.815 27.973 ( -1.070 1.046 -0.424) 1.555 35.447 ( 1.337 -4.501 0.664) 4.742 35.862 ( -9.563 -0.751 -7.095) 11.931 36.682 ( 3.952 5.406 16.115) 17.451 37.154 ( 6.610 -7.321 0.145) 9.865 38.699 ( 1.946 -0.395 10.226) 10.417 38.798 ( 0.508 -3.592 3.536) 5.066 40.228 ( 4.721 3.197 -16.294) 17.263 40.512 ( 1.688 3.564 -17.457) 17.897 ======================= Grid point 160 (81/150) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 6.756 -0.071 5.678) 8.825 1.158 ( -0.481 -7.520 1.441) 7.672 1.182 ( -0.866 1.629 -5.672) 5.964 1.505 ( 0.371 -5.599 -1.858) 5.911 1.661 ( -1.913 1.098 4.308) 4.840 1.846 ( -7.572 2.677 3.250) 8.664 1.940 ( 3.882 -3.061 3.461) 6.035 2.620 ( -10.964 -2.100 -7.125) 13.243 3.062 ( 10.894 7.181 -4.706) 13.870 3.305 ( -10.285 3.876 -3.040) 11.403 3.707 ( 9.406 8.940 0.889) 13.007 4.128 ( 13.806 -4.452 11.553) 18.544 4.312 ( 22.213 7.314 2.347) 23.503 4.723 ( 5.731 -0.045 13.562) 14.723 5.011 ( 7.167 3.640 5.552) 9.769 5.185 ( -4.019 -5.908 -6.379) 9.579 5.494 ( -6.913 4.339 -10.615) 13.390 5.663 ( 2.753 10.431 4.177) 11.569 5.951 ( 1.598 9.742 -1.588) 9.999 6.323 ( 0.971 7.872 -5.660) 9.744 6.648 ( -8.315 -5.465 -7.493) 12.456 6.745 ( 10.570 -6.700 1.680) 12.627 6.859 ( 1.788 12.272 17.808) 21.701 7.060 ( 0.005 -7.933 -2.198) 8.232 7.456 ( 10.775 -15.307 1.359) 18.768 7.630 ( -4.444 -10.023 2.062) 11.156 8.044 ( -2.710 0.298 0.688) 2.812 8.188 ( -13.599 -0.579 1.068) 13.653 8.388 ( -2.661 6.804 0.694) 7.338 8.649 ( -25.711 -1.558 -17.174) 30.959 9.064 ( 7.437 -3.925 -6.935) 10.900 9.445 ( -0.450 -2.404 8.212) 8.568 10.130 ( 2.984 0.056 3.845) 4.868 10.488 ( -7.618 -0.680 -3.343) 8.347 10.716 ( -1.525 -3.375 7.596) 8.451 10.897 ( -3.325 -0.326 5.401) 6.351 11.234 ( 2.686 -1.535 -5.318) 6.153 11.556 ( -6.209 1.516 -7.011) 9.487 11.880 ( 5.228 1.883 1.103) 5.665 12.168 ( -0.069 -2.113 -3.478) 4.070 12.413 ( 2.404 5.412 1.474) 6.103 12.567 ( 5.319 1.270 12.611) 13.745 12.731 ( -4.571 -0.571 -4.528) 6.459 13.313 ( -4.516 9.592 -9.800) 14.438 13.456 ( 0.920 -0.694 -1.057) 1.564 13.934 ( -2.813 -0.734 -2.170) 3.628 14.204 ( -0.233 -2.982 0.970) 3.144 14.312 ( 1.323 -7.224 -0.572) 7.366 14.696 ( 1.825 6.316 3.696) 7.542 15.122 ( 4.682 -2.128 3.134) 6.022 15.438 ( 1.591 10.395 -1.941) 10.694 15.720 ( -13.294 -1.918 -7.268) 15.272 16.028 ( -10.465 2.184 -5.090) 11.841 16.609 ( 6.241 1.127 -1.815) 6.596 16.872 ( 3.540 -9.755 1.916) 10.553 17.044 ( -6.275 9.203 6.098) 12.698 17.227 ( 1.170 -8.399 5.461) 10.086 17.357 ( 2.014 0.329 7.590) 7.859 17.901 ( 2.149 -4.285 5.882) 7.588 18.148 ( 1.887 -3.251 4.578) 5.924 18.569 ( -0.851 -6.761 -2.549) 7.276 18.689 ( 6.243 -11.428 5.607) 14.178 18.864 ( 5.030 5.686 7.788) 10.876 19.006 ( 9.652 1.955 2.636) 10.194 19.510 ( -1.098 7.175 -2.208) 7.587 19.599 ( -4.682 10.138 -5.326) 12.372 19.897 ( 5.791 4.515 -8.997) 11.614 20.279 ( -3.713 -1.853 -5.591) 6.963 21.592 ( -0.678 -0.202 0.749) 1.030 21.660 ( -0.188 1.324 -0.687) 1.503 21.746 ( 0.086 -0.499 1.896) 1.963 21.980 ( -4.671 -1.633 0.388) 4.963 27.725 ( 0.064 -1.241 0.451) 1.322 27.804 ( 0.270 -1.647 -0.898) 1.895 27.903 ( 0.494 -0.564 0.203) 0.777 27.935 ( -1.376 1.640 -0.619) 2.228 35.565 ( 3.290 -7.832 0.918) 8.544 35.732 ( -5.570 -1.737 -5.532) 8.041 36.789 ( 0.313 7.202 17.051) 18.512 37.317 ( 6.148 -5.213 0.322) 8.067 38.820 ( 3.315 -1.328 4.587) 5.813 38.935 ( 1.428 -6.009 9.438) 11.280 40.062 ( 3.882 4.727 -15.994) 17.124 40.314 ( 2.934 1.981 -18.017) 18.361 ======================= Grid point 161 (82/150) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 5.736 -1.694 5.732) 8.284 1.076 ( -2.645 2.541 -6.264) 7.259 1.241 ( -0.726 -4.216 1.517) 4.539 1.537 ( 1.781 -1.144 -3.360) 3.972 1.694 ( -4.471 -2.105 6.991) 8.561 1.761 ( -7.823 2.149 4.119) 9.099 2.138 ( 7.918 -9.102 6.942) 13.919 2.466 ( -8.393 -2.235 -7.147) 11.248 3.012 ( -0.358 7.173 -5.373) 8.969 3.119 ( 0.106 4.296 -3.913) 5.812 3.749 ( 8.427 3.403 4.890) 10.320 4.319 ( 6.691 1.529 -5.970) 9.096 4.444 ( -1.466 6.703 12.455) 14.220 4.826 ( 0.206 -4.502 1.606) 4.785 5.085 ( 2.269 11.400 10.216) 15.475 5.250 ( 8.012 -10.749 0.708) 13.425 5.425 ( 5.074 -1.447 8.052) 9.626 5.650 ( 6.874 6.263 3.887) 10.079 5.840 ( -0.968 7.602 1.139) 7.747 6.120 ( 0.790 10.054 -9.273) 13.700 6.344 ( -7.641 6.530 -13.388) 16.741 6.885 ( 0.347 6.536 0.443) 6.560 7.044 ( -5.803 -0.389 1.596) 6.031 7.178 ( 10.609 -11.261 12.474) 19.873 7.687 ( 0.981 -7.552 -2.086) 7.896 7.811 ( -3.075 -14.800 -11.188) 18.806 7.887 ( -5.506 -1.728 -3.831) 6.926 8.069 ( -10.536 -6.182 3.060) 12.593 8.355 ( 1.149 0.066 4.355) 4.504 8.419 ( -6.238 3.554 5.386) 8.975 9.116 ( 8.157 -0.470 -6.748) 10.597 9.395 ( -8.187 2.946 -6.379) 10.788 10.208 ( 4.816 -0.174 3.600) 6.015 10.374 ( -6.711 0.161 -3.950) 7.789 10.772 ( -5.047 0.260 6.406) 8.160 10.986 ( 2.545 -2.101 7.117) 7.845 11.214 ( 0.616 1.658 -5.078) 5.378 11.405 ( -3.095 1.999 -6.133) 7.155 11.965 ( 8.103 -1.853 1.934) 8.534 12.154 ( -0.458 -2.265 -4.452) 5.016 12.382 ( 2.994 4.321 0.585) 5.289 12.648 ( -2.914 1.477 -5.269) 6.200 12.709 ( 4.741 2.137 8.927) 10.332 13.019 ( -4.484 9.059 -8.252) 13.049 13.538 ( -1.552 -4.768 6.569) 8.264 13.866 ( -6.055 1.135 -1.836) 6.428 14.189 ( -4.491 -0.649 -0.584) 4.575 14.320 ( -4.520 -1.602 -3.324) 5.835 14.766 ( 9.553 -0.251 7.314) 12.034 15.239 ( 5.150 -3.343 1.633) 6.353 15.467 ( -0.001 3.605 0.150) 3.609 15.501 ( -6.077 -5.350 -3.029) 8.644 15.856 ( -6.216 1.325 -4.759) 7.940 16.502 ( 0.909 11.723 -11.327) 16.326 16.853 ( -1.508 5.458 1.522) 5.864 17.073 ( -1.251 -8.827 -1.391) 9.023 17.410 ( 1.918 5.664 12.407) 13.773 17.545 ( 0.096 -15.297 12.728) 19.900 17.997 ( -0.146 -1.704 3.355) 3.766 18.332 ( 6.478 -7.275 6.901) 11.938 18.610 ( 1.151 -3.622 -3.614) 5.244 18.787 ( -0.833 4.570 -4.648) 6.572 18.975 ( 5.393 -0.612 8.028) 9.691 19.091 ( 7.539 3.031 2.713) 8.567 19.295 ( -5.836 10.065 -6.415) 13.286 19.428 ( -0.683 2.115 -5.892) 6.297 19.880 ( 5.511 0.679 0.996) 5.641 20.198 ( -4.827 -1.280 -5.216) 7.221 21.599 ( -0.482 -0.739 0.658) 1.101 21.637 ( -0.222 1.079 -0.308) 1.143 21.784 ( 0.934 -0.413 3.443) 3.591 21.943 ( -4.657 -0.984 -1.188) 4.906 27.755 ( 0.939 -1.641 0.486) 1.953 27.812 ( -0.471 -1.118 -1.276) 1.760 27.891 ( -0.481 1.546 -0.193) 1.630 27.918 ( -0.077 -0.204 0.085) 0.234 35.687 ( -2.092 -3.946 -2.689) 5.213 35.721 ( 4.388 -7.473 0.007) 8.666 36.811 ( -4.695 8.936 13.870) 17.154 37.415 ( 5.883 -0.009 -0.499) 5.904 38.884 ( 3.171 0.674 0.595) 3.296 39.093 ( 1.705 -0.814 3.086) 3.619 39.915 ( 1.004 -1.960 -10.593) 10.820 40.230 ( 5.554 -5.326 -11.744) 14.041 ======================= Grid point 162 (83/150) ======================= q-point: (-0.12 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -1.796 0.258 -0.065) 1.816 0.980 ( 2.004 0.050 -2.232) 3.000 1.303 ( -0.876 -4.327 1.802) 4.768 1.535 ( 1.529 0.145 -0.998) 1.832 1.703 ( -7.133 0.502 5.105) 8.785 1.745 ( -4.196 -0.855 7.284) 8.450 2.285 ( -9.240 -2.977 -4.785) 10.823 2.506 ( 11.834 -7.537 6.159) 15.323 2.827 ( -7.175 3.699 -2.387) 8.418 3.092 ( 6.365 3.468 -2.272) 7.597 3.807 ( -3.200 -3.314 -5.530) 7.198 4.151 ( 6.059 10.500 -2.481) 12.375 4.523 ( -4.215 -7.506 5.365) 10.144 4.913 ( -7.185 -4.293 3.459) 9.056 5.029 ( -3.324 9.335 8.023) 12.750 5.352 ( 2.078 0.426 -6.803) 7.126 5.555 ( -0.961 1.985 3.019) 3.739 5.680 ( -0.364 3.030 -4.968) 5.831 5.854 ( -8.741 -3.433 -12.180) 15.380 5.932 ( 12.971 -6.783 8.429) 16.891 6.221 ( 14.568 10.413 3.566) 18.259 6.676 ( -2.405 1.434 -18.385) 18.597 7.067 ( -1.539 0.210 9.770) 9.893 7.434 ( -11.937 -10.448 -3.708) 16.292 7.670 ( 7.739 1.305 4.577) 9.086 7.765 ( -5.947 -5.454 -1.733) 8.253 7.854 ( -9.117 3.395 8.260) 12.763 8.290 ( 7.417 -4.785 3.128) 9.365 8.415 ( 0.740 -3.984 6.007) 7.246 8.463 ( 4.801 7.148 14.327) 16.716 9.064 ( 0.306 6.954 -11.950) 13.829 9.185 ( 0.394 0.679 -9.611) 9.643 10.262 ( -4.470 1.410 -4.311) 6.368 10.307 ( 6.035 -0.769 2.777) 6.688 10.749 ( -6.619 3.274 6.694) 9.967 11.000 ( -5.149 3.407 -5.625) 8.353 11.172 ( 4.971 -0.239 1.910) 5.330 11.369 ( 2.894 -1.996 -2.322) 4.213 12.111 ( 7.189 -3.713 0.764) 8.127 12.127 ( -0.639 -1.239 -5.571) 5.743 12.393 ( 4.196 1.556 1.010) 4.588 12.511 ( -0.772 4.465 -7.350) 8.634 12.763 ( -1.545 3.019 2.386) 4.147 12.891 ( -0.132 -1.551 0.896) 1.796 13.572 ( -6.929 3.650 3.389) 8.533 13.803 ( -2.448 -2.926 1.442) 4.078 14.175 ( -3.155 -1.549 4.278) 5.536 14.312 ( 1.217 -1.686 2.142) 2.985 14.973 ( 3.931 -2.776 8.084) 9.408 15.250 ( -4.427 -2.754 -8.035) 9.579 15.353 ( -0.048 -3.702 3.038) 4.789 15.653 ( 1.095 3.223 8.440) 9.101 15.849 ( 6.871 -8.441 -2.402) 11.146 16.173 ( -1.453 13.592 -15.606) 20.746 16.859 ( -1.798 -2.036 5.240) 5.902 17.104 ( -3.173 -6.336 -6.173) 9.397 17.456 ( 2.547 9.260 12.637) 15.872 17.731 ( -5.347 -0.037 3.524) 6.403 18.028 ( -2.875 1.487 4.121) 5.240 18.528 ( -3.619 10.216 -8.037) 13.493 18.550 ( 5.353 -5.666 0.632) 7.820 18.650 ( 3.369 -0.387 -7.786) 8.493 18.948 ( -3.359 3.764 2.513) 5.636 19.170 ( 1.757 -0.095 1.310) 2.194 19.200 ( 0.651 -0.473 0.972) 1.262 19.385 ( 0.697 -8.414 -7.245) 11.126 19.984 ( 3.250 0.895 6.606) 7.417 20.129 ( -1.008 -2.396 -3.606) 4.445 21.610 ( -0.670 -0.658 0.143) 0.950 21.626 ( 0.054 -0.034 0.590) 0.594 21.835 ( 0.212 0.036 3.941) 3.947 21.892 ( -2.590 0.274 -0.843) 2.737 27.784 ( -0.366 -0.726 -0.822) 1.156 27.809 ( 1.380 -0.420 -0.036) 1.443 27.878 ( -0.173 0.538 1.138) 1.270 27.915 ( -0.331 -0.120 -0.680) 0.766 35.721 ( -0.266 -4.619 -0.781) 4.692 35.834 ( 2.982 -4.041 -0.873) 5.097 36.730 ( -8.808 8.003 8.298) 14.508 37.443 ( 7.024 5.041 -0.767) 8.680 38.882 ( 2.288 3.440 -1.288) 4.328 38.983 ( -0.996 9.686 -9.996) 13.955 39.985 ( -0.314 -14.129 -1.584) 14.221 40.341 ( 6.689 -12.303 -4.613) 14.744 ======================= Grid point 167 (84/150) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 5.286 0.000 4.945) 7.238 1.013 ( 1.428 0.000 4.944) 5.146 1.205 ( -0.603 -0.000 -6.017) 6.047 1.410 ( -0.631 -0.000 -2.331) 2.415 1.692 ( -1.169 -0.000 2.621) 2.870 1.876 ( -6.883 -0.000 1.649) 7.078 1.920 ( 3.016 0.000 4.170) 5.147 2.578 ( -9.736 -0.000 -7.125) 12.065 3.162 ( 7.660 0.000 -6.155) 9.826 3.362 ( -10.226 -0.000 -1.363) 10.317 3.870 ( 20.554 0.000 8.271) 22.155 4.016 ( -0.955 -0.000 -5.442) 5.526 4.543 ( 8.782 0.000 -0.555) 8.800 4.621 ( 13.127 0.000 11.324) 17.337 5.004 ( -5.269 -0.000 -4.682) 7.048 5.137 ( 19.616 0.000 6.749) 20.745 5.546 ( -14.083 -0.000 -10.967) 17.850 5.865 ( 10.497 0.000 6.170) 12.176 6.105 ( 12.722 0.000 2.104) 12.895 6.441 ( -12.211 -0.000 -2.537) 12.471 6.521 ( 10.871 0.000 0.821) 10.902 6.644 ( 1.551 0.000 -6.911) 7.083 6.928 ( 0.257 0.000 -13.662) 13.664 7.120 ( 14.048 0.000 -2.968) 14.358 7.239 ( -4.496 -0.000 16.391) 16.996 7.394 ( -9.196 -0.000 11.842) 14.994 7.965 ( -15.606 -0.000 -6.520) 16.913 8.220 ( -7.823 -0.000 6.166) 9.961 8.494 ( -13.971 -0.000 -9.464) 16.875 8.700 ( -20.517 -0.000 -10.042) 22.843 8.999 ( 11.999 0.000 -3.995) 12.647 9.404 ( 5.213 0.000 15.460) 16.315 10.139 ( 3.110 0.000 6.325) 7.049 10.474 ( -6.584 -0.000 -1.816) 6.830 10.675 ( -0.021 -0.000 9.783) 9.783 10.902 ( -4.255 -0.000 4.050) 5.875 11.193 ( 3.509 0.000 -5.573) 6.586 11.575 ( -5.428 -0.000 -5.690) 7.863 11.920 ( 3.184 0.000 1.458) 3.502 12.136 ( 0.354 0.000 -3.089) 3.109 12.473 ( -2.234 -0.000 9.945) 10.193 12.623 ( 5.964 0.000 8.430) 10.326 12.700 ( -4.549 -0.000 -7.915) 9.129 13.340 ( 1.595 0.000 -2.008) 2.564 13.649 ( -1.055 -0.000 -7.155) 7.232 13.819 ( -2.603 -0.000 -12.619) 12.885 14.141 ( 0.561 0.000 4.055) 4.094 14.223 ( 3.304 0.000 -0.518) 3.344 14.803 ( -3.317 -0.000 7.677) 8.363 15.093 ( 2.909 0.000 5.572) 6.285 15.561 ( -9.965 -0.000 -21.703) 23.881 15.705 ( -9.807 -0.000 -4.772) 10.906 16.259 ( -7.755 -0.000 -1.317) 7.866 16.357 ( 7.924 0.000 15.323) 17.250 16.857 ( -3.119 -0.000 -0.771) 3.213 16.925 ( 6.742 0.000 2.268) 7.113 17.345 ( 4.821 0.000 12.798) 13.676 17.415 ( 1.359 0.000 4.728) 4.920 17.822 ( 0.172 0.000 3.564) 3.568 18.127 ( 0.095 0.000 3.756) 3.757 18.304 ( -2.156 -0.000 -6.126) 6.494 18.604 ( 7.781 0.000 7.961) 11.132 18.947 ( 5.509 0.000 8.877) 10.448 19.029 ( 8.891 0.000 3.867) 9.695 19.637 ( -3.730 -0.000 0.039) 3.730 19.675 ( -2.521 -0.000 -7.727) 8.128 20.034 ( 3.136 0.000 -11.645) 12.060 20.225 ( -0.480 -0.000 -8.253) 8.267 21.591 ( -0.867 -0.000 0.793) 1.175 21.688 ( 0.736 0.000 -1.522) 1.691 21.730 ( -1.118 -0.000 2.307) 2.564 21.956 ( -4.475 -0.000 1.000) 4.585 27.709 ( -0.389 -0.000 0.830) 0.917 27.779 ( 1.114 0.000 -1.114) 1.576 27.892 ( 0.843 0.000 0.330) 0.906 27.958 ( -1.594 -0.000 -1.039) 1.902 35.451 ( 3.410 0.000 1.244) 3.630 35.700 ( -6.873 -0.000 -6.358) 9.363 36.924 ( 3.693 0.000 16.441) 16.850 37.213 ( 6.157 0.000 6.186) 8.727 38.813 ( 2.211 0.000 2.796) 3.564 38.830 ( 1.529 0.000 12.356) 12.450 40.126 ( 3.993 0.000 -17.553) 18.002 40.357 ( 2.548 0.000 -23.515) 23.652 ======================= Grid point 168 (85/150) ======================= q-point: (-0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 4.561 -0.216 5.455) 7.114 1.119 ( 0.675 -0.001 -6.459) 6.494 1.136 ( 1.865 -2.121 3.852) 4.777 1.406 ( -0.749 -4.999 -3.159) 5.961 1.690 ( -3.326 1.140 4.008) 5.331 1.810 ( -7.317 0.863 1.909) 7.611 2.027 ( 6.806 -0.813 7.205) 9.944 2.400 ( -9.487 -1.938 -9.174) 13.338 3.165 ( -9.343 3.699 -6.287) 11.853 3.205 ( 6.158 1.808 -3.705) 7.411 3.867 ( -0.562 5.183 -2.653) 5.849 4.153 ( 3.500 -8.017 0.351) 8.755 4.673 ( 9.455 2.032 13.183) 16.350 4.729 ( -21.116 2.382 -12.168) 24.487 4.930 ( 13.070 -6.909 3.384) 15.166 5.391 ( 10.305 5.566 11.727) 16.574 5.451 ( 4.592 0.113 5.258) 6.982 5.959 ( 7.722 14.923 9.191) 19.152 6.139 ( 7.350 12.740 -1.047) 14.746 6.219 ( -16.105 0.218 -13.929) 21.294 6.577 ( 6.929 3.518 -7.855) 11.050 6.715 ( 4.996 -14.918 0.975) 15.762 6.853 ( -3.790 -4.290 -11.456) 12.806 7.144 ( -5.498 3.662 -1.587) 6.794 7.315 ( 1.123 -12.322 -7.629) 14.536 7.535 ( 2.016 -7.178 11.159) 13.421 7.801 ( -9.448 -6.201 -7.805) 13.735 7.994 ( -12.226 2.802 3.110) 12.922 8.330 ( -5.233 -0.556 4.443) 6.887 8.653 ( 2.277 6.752 11.401) 13.445 9.101 ( 12.419 -0.555 -4.047) 13.073 9.450 ( -5.881 1.180 -2.343) 6.440 10.239 ( 4.508 1.492 7.217) 8.640 10.379 ( -6.089 0.082 -2.705) 6.663 10.812 ( 0.736 2.139 12.214) 12.422 10.941 ( 1.532 -0.980 9.330) 9.506 11.217 ( 5.273 -1.058 -2.735) 6.034 11.459 ( -4.741 1.290 -5.322) 7.244 11.961 ( 3.701 0.776 1.443) 4.048 12.109 ( -0.127 -1.002 -4.214) 4.333 12.500 ( -1.216 4.562 2.681) 5.429 12.623 ( -3.609 -3.053 -0.660) 4.773 12.756 ( 3.192 0.808 10.302) 10.816 13.317 ( -1.477 6.807 -4.629) 8.363 13.446 ( -0.746 4.417 -6.144) 7.604 13.789 ( -2.408 -8.900 -8.466) 12.517 14.161 ( -5.261 -2.788 1.276) 6.089 14.208 ( -4.855 -1.128 -2.808) 5.721 14.834 ( 4.825 4.344 2.971) 7.140 15.165 ( 2.016 -1.869 -1.691) 3.227 15.320 ( -7.265 -6.645 -9.987) 14.024 15.545 ( -6.239 1.754 -3.936) 7.582 16.102 ( -1.755 13.109 4.981) 14.133 16.636 ( 5.653 -4.159 -0.576) 7.041 16.842 ( 0.961 -2.467 6.988) 7.473 17.104 ( 1.891 -12.215 8.022) 14.736 17.237 ( -2.824 18.162 -4.420) 18.904 17.541 ( 2.498 -0.720 10.092) 10.421 17.946 ( 2.594 -1.902 10.135) 10.633 18.171 ( 2.248 -3.156 4.794) 6.164 18.326 ( -1.557 -12.741 -6.666) 14.464 18.776 ( 7.908 -1.312 5.415) 9.674 19.055 ( 3.367 3.601 8.250) 9.611 19.143 ( 5.126 1.019 4.023) 6.596 19.522 ( -3.033 3.752 -8.348) 9.641 19.561 ( -7.764 4.115 -3.734) 9.548 19.927 ( 5.991 3.066 -10.270) 12.279 20.147 ( -2.581 -2.010 -7.939) 8.586 21.589 ( -0.820 -0.090 0.698) 1.080 21.673 ( 0.570 1.333 -0.922) 1.718 21.760 ( -0.135 -1.120 3.614) 3.786 21.916 ( -4.350 -0.709 -0.387) 4.424 27.720 ( 0.195 -0.759 0.827) 1.139 27.785 ( 0.915 -0.649 -1.172) 1.622 27.908 ( 1.062 -0.191 0.168) 1.092 27.925 ( -1.544 0.546 -1.029) 1.934 35.543 ( 5.381 -4.015 1.535) 6.887 35.602 ( -3.270 -2.308 -4.877) 6.309 37.061 ( 0.849 8.096 16.473) 18.374 37.360 ( 4.011 -3.511 6.349) 8.290 38.882 ( 3.822 -0.398 3.720) 5.348 38.988 ( 1.033 -3.758 11.340) 11.991 39.977 ( 2.914 3.194 -18.417) 18.918 40.140 ( 3.727 -1.731 -25.868) 26.192 ======================= Grid point 169 (86/150) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 2.453 -1.051 3.845) 4.680 1.009 ( -2.020 1.438 -7.566) 7.962 1.221 ( 0.493 -1.455 2.697) 3.104 1.449 ( 0.305 -6.636 -4.913) 8.262 1.683 ( -7.025 -0.543 6.891) 9.856 1.745 ( -6.600 1.030 3.957) 7.764 2.222 ( 3.257 -1.415 2.954) 4.619 2.308 ( 4.971 -6.571 -0.450) 8.252 2.910 ( -12.265 2.434 -8.112) 14.905 3.212 ( 4.903 5.628 -2.579) 7.898 3.790 ( -5.772 0.697 -2.594) 6.367 4.222 ( -12.330 -12.546 -3.716) 17.979 4.343 ( -10.881 3.425 -11.463) 16.172 4.821 ( -4.771 -0.255 9.725) 10.835 5.167 ( 7.404 -2.826 0.885) 7.974 5.462 ( 5.160 5.316 -2.440) 7.800 5.575 ( -0.246 1.717 6.706) 6.927 5.762 ( -20.645 1.088 -19.639) 28.515 5.928 ( 7.054 12.493 7.770) 16.315 6.038 ( 7.075 12.333 2.115) 14.375 6.457 ( -16.085 -2.758 -13.932) 21.458 6.544 ( -1.046 -2.058 -11.045) 11.284 7.049 ( -4.733 -5.401 3.788) 8.119 7.117 ( 5.028 -8.232 4.568) 10.673 7.455 ( -0.039 -10.953 -5.528) 12.269 7.685 ( 5.448 -1.814 -5.458) 7.922 7.953 ( 11.677 -12.289 10.708) 20.051 8.027 ( 4.222 5.593 15.463) 16.977 8.367 ( 2.104 -2.100 5.748) 6.471 8.746 ( 7.498 10.447 19.499) 23.357 9.189 ( 10.067 0.731 -3.443) 10.665 9.263 ( -6.720 4.636 -11.085) 13.767 10.297 ( -4.073 0.928 -1.934) 4.603 10.335 ( 5.782 2.218 6.540) 9.007 10.839 ( -3.127 3.871 7.350) 8.876 11.095 ( 4.187 1.419 9.304) 10.301 11.215 ( 2.512 3.923 -4.225) 6.289 11.351 ( -1.192 0.796 -4.596) 4.814 12.032 ( 6.074 -1.952 0.993) 6.457 12.079 ( -0.398 -1.688 -4.865) 5.165 12.436 ( -1.588 2.537 -0.472) 3.030 12.609 ( -1.149 1.759 -1.442) 2.548 12.858 ( 1.832 1.769 7.240) 7.675 13.037 ( -4.065 12.870 -8.056) 15.718 13.504 ( -1.383 -7.111 6.145) 9.499 13.753 ( -6.223 -2.429 -5.516) 8.663 14.132 ( -6.607 -5.319 -3.766) 9.280 14.163 ( -3.776 -4.345 1.729) 6.010 14.926 ( 7.194 -0.262 8.903) 11.449 15.119 ( -8.970 -6.696 -13.083) 17.219 15.263 ( -1.591 -0.643 -0.834) 1.907 15.604 ( 9.465 -5.837 4.138) 11.865 15.981 ( 1.297 14.584 8.072) 16.719 16.577 ( 3.000 9.674 -9.282) 13.738 16.902 ( -7.825 10.346 -5.100) 13.938 16.960 ( 2.226 -2.830 0.318) 3.615 17.447 ( 0.261 -16.796 13.903) 21.805 17.650 ( 2.017 2.040 9.510) 9.934 18.035 ( 0.392 0.970 6.767) 6.848 18.370 ( 5.209 -6.762 8.288) 11.897 18.416 ( -1.266 -13.236 -7.977) 15.506 18.805 ( 0.549 6.784 -5.428) 8.705 19.120 ( 0.861 3.481 3.733) 5.177 19.166 ( -2.791 0.819 -0.437) 2.941 19.305 ( -4.884 8.859 -5.629) 11.577 19.349 ( -1.872 3.476 -10.151) 10.892 19.954 ( 6.432 -2.325 1.939) 7.109 20.068 ( -3.100 -2.018 -7.111) 8.015 21.591 ( -0.479 -0.417 0.593) 0.869 21.652 ( 0.214 1.488 -0.292) 1.532 21.819 ( -0.455 -1.060 4.325) 4.476 21.881 ( -2.218 -0.940 -0.118) 2.412 27.746 ( 0.363 -1.437 0.450) 1.549 27.791 ( 0.961 -0.711 -1.034) 1.581 27.898 ( -0.734 0.459 -0.105) 0.872 27.919 ( 0.617 0.247 -0.054) 0.667 35.582 ( -0.689 -4.720 -2.890) 5.577 35.698 ( 6.663 -5.405 1.111) 8.651 37.028 ( -5.927 13.241 11.351) 18.420 37.503 ( 5.849 -1.058 5.710) 8.243 38.952 ( 3.327 1.691 3.155) 4.887 39.125 ( 0.612 -0.745 2.822) 2.982 39.741 ( -0.766 -1.227 -21.476) 21.524 40.069 ( 6.123 -8.674 -14.352) 17.853 ======================= Grid point 170 (87/150) ======================= q-point: (-0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -5.545 3.150 -6.472) 9.086 0.990 ( 3.447 -3.111 1.172) 4.789 1.266 ( -0.898 -2.829 2.522) 3.895 1.480 ( -1.128 -5.405 -3.986) 6.810 1.681 ( -6.309 -0.291 5.777) 8.559 1.743 ( -6.138 -2.503 7.616) 10.097 2.165 ( -1.675 0.990 -6.083) 6.386 2.621 ( 9.870 -5.070 7.162) 13.207 2.742 ( -1.227 -4.162 -2.546) 5.031 3.093 ( -6.526 3.686 -4.988) 9.003 3.630 ( -8.735 -0.209 -8.571) 12.240 4.121 ( -22.959 -13.323 -10.682) 28.613 4.255 ( 2.029 -1.930 -8.359) 8.815 4.764 ( -15.394 -4.572 -2.882) 16.315 5.091 ( -19.030 -2.262 -17.611) 26.026 5.165 ( -4.672 3.748 1.491) 6.172 5.453 ( -2.712 3.739 -9.735) 10.775 5.775 ( 6.945 4.932 8.005) 11.689 5.904 ( 4.331 3.856 3.960) 7.022 6.094 ( 6.094 1.628 -1.585) 6.504 6.323 ( -15.579 -16.567 5.297) 23.350 6.584 ( 12.170 4.563 2.986) 13.336 6.996 ( -6.523 3.908 5.531) 9.403 7.328 ( 8.051 -5.837 -1.155) 10.011 7.424 ( -6.375 -5.259 -9.097) 12.290 7.719 ( 5.523 3.702 -3.666) 7.593 8.066 ( -2.633 0.302 6.504) 7.023 8.338 ( 8.638 -2.746 6.917) 11.402 8.575 ( 12.489 -1.787 10.601) 16.479 8.889 ( 4.695 11.412 15.595) 19.887 9.036 ( 6.331 6.547 -2.525) 9.451 9.240 ( 9.737 4.357 -1.831) 10.823 10.222 ( -1.923 2.126 -2.344) 3.703 10.440 ( 7.315 1.943 6.317) 9.859 10.811 ( -5.035 3.663 6.775) 9.202 10.975 ( -4.061 10.468 -6.254) 12.852 11.271 ( 5.378 0.276 4.191) 6.824 11.354 ( 4.547 -2.598 0.015) 5.237 12.043 ( -0.671 -1.450 -6.606) 6.797 12.137 ( 5.312 -2.938 -0.368) 6.081 12.378 ( -2.626 0.517 -5.428) 6.052 12.557 ( 2.833 3.001 -0.103) 4.128 12.788 ( -5.399 7.862 -2.931) 9.977 12.914 ( 1.575 -0.744 3.945) 4.313 13.571 ( -6.107 2.183 3.236) 7.248 13.720 ( -3.029 -7.188 2.392) 8.158 14.174 ( 0.493 -6.191 2.135) 6.567 14.243 ( -2.683 -7.349 3.702) 8.655 14.846 ( -12.696 -0.415 -9.604) 15.925 15.210 ( 4.866 -4.340 -2.834) 7.109 15.327 ( 5.761 -7.132 10.901) 14.244 15.834 ( 3.252 1.575 8.632) 9.358 15.909 ( 10.527 6.323 2.234) 12.482 16.299 ( 3.714 18.911 -7.307) 20.611 16.777 ( -6.720 -4.814 -1.019) 8.329 16.996 ( -0.632 -2.650 -0.001) 2.724 17.682 ( -4.345 -4.352 4.037) 7.356 17.708 ( 1.626 5.219 8.428) 10.046 18.078 ( -2.492 3.217 7.237) 8.302 18.469 ( -4.521 -1.023 -14.752) 15.463 18.544 ( -1.311 2.724 -9.905) 10.356 18.555 ( 3.988 -3.926 3.740) 6.731 18.916 ( -7.743 2.841 -3.773) 9.070 19.068 ( -7.022 -4.191 -11.634) 14.221 19.217 ( -0.712 4.488 -0.626) 4.587 19.347 ( 3.865 -1.845 3.264) 5.385 19.989 ( -1.767 -0.443 -5.079) 5.396 20.121 ( 5.107 -5.024 5.716) 9.164 21.600 ( -0.185 -0.529 0.309) 0.640 21.636 ( -0.149 0.833 0.465) 0.965 21.812 ( -3.412 -0.500 -0.676) 3.514 21.934 ( 2.466 -0.100 5.840) 6.340 27.762 ( 0.176 -0.967 -0.763) 1.244 27.819 ( 1.778 -1.325 0.559) 2.287 27.892 ( -0.427 0.255 0.930) 1.055 27.912 ( -0.076 0.960 -0.391) 1.040 35.642 ( 1.343 -6.295 -1.212) 6.550 35.823 ( 4.546 -2.623 0.222) 5.253 36.833 ( -11.699 12.955 5.575) 18.324 37.611 ( 9.395 4.688 3.330) 11.015 38.926 ( -1.874 7.006 -7.368) 10.339 39.007 ( 1.150 6.808 -5.921) 9.096 39.728 ( -1.197 -17.159 -6.662) 18.446 40.189 ( 6.718 -12.852 -6.655) 15.956 ======================= Grid point 176 (88/150) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 1.976 0.000 4.210) 4.651 1.031 ( -1.864 -0.000 -8.906) 9.099 1.222 ( 3.951 0.000 4.623) 6.081 1.314 ( -2.036 -0.000 -4.295) 4.753 1.692 ( -5.938 -0.000 4.705) 7.576 1.759 ( -6.762 -0.000 2.311) 7.146 2.205 ( 11.317 0.000 10.898) 15.711 2.209 ( -5.347 -0.000 -9.509) 10.909 2.951 ( -15.286 -0.000 -8.998) 17.738 3.309 ( 8.336 0.000 0.414) 8.346 3.809 ( -5.865 -0.000 -3.321) 6.740 4.001 ( -21.058 -0.000 -4.511) 21.536 4.386 ( -11.957 -0.000 -13.950) 18.373 4.881 ( -0.880 -0.000 17.721) 17.743 5.045 ( 8.133 0.000 -1.714) 8.312 5.553 ( 7.669 0.000 6.311) 9.932 5.583 ( -14.448 -0.000 -15.939) 21.513 5.774 ( -15.302 -0.000 -15.073) 21.479 6.185 ( -31.642 -0.000 -15.339) 35.164 6.314 ( 2.801 0.000 3.481) 4.468 6.490 ( 0.921 0.000 -1.352) 1.636 6.544 ( 13.699 0.000 0.981) 13.734 6.587 ( -1.087 -0.000 -2.677) 2.889 7.162 ( 0.546 0.000 -8.093) 8.111 7.294 ( 17.365 0.000 10.878) 20.491 7.626 ( 5.168 0.000 -4.863) 7.097 7.776 ( 15.725 0.000 17.247) 23.340 8.125 ( 3.242 0.000 11.260) 11.718 8.333 ( 0.022 0.000 4.166) 4.166 8.900 ( 7.535 0.000 19.984) 21.357 9.179 ( 6.936 0.000 -4.683) 8.369 9.331 ( -1.918 -0.000 -9.421) 9.614 10.308 ( -3.956 -0.000 -1.123) 4.113 10.375 ( 4.929 0.000 7.225) 8.746 10.902 ( -2.748 -0.000 5.610) 6.247 11.120 ( 6.161 0.000 14.608) 15.854 11.265 ( 7.533 0.000 -1.716) 7.726 11.378 ( -3.620 -0.000 -4.059) 5.438 12.010 ( 3.243 0.000 0.870) 3.357 12.055 ( -0.644 -0.000 -4.655) 4.699 12.502 ( -4.823 -0.000 -2.282) 5.335 12.613 ( -0.002 -0.000 5.699) 5.699 12.871 ( -0.979 -0.000 10.399) 10.445 13.344 ( -0.444 -0.000 -3.001) 3.034 13.406 ( -4.362 -0.000 -5.467) 6.994 13.568 ( 1.116 0.000 -12.132) 12.183 14.032 ( -12.885 -0.000 -1.481) 12.969 14.132 ( -5.508 -0.000 -1.151) 5.626 14.932 ( 3.160 0.000 0.090) 3.161 14.999 ( -4.724 -0.000 -6.168) 7.770 15.314 ( 5.457 0.000 5.385) 7.666 15.482 ( -0.305 -0.000 -1.475) 1.506 16.255 ( 1.998 0.000 5.904) 6.233 16.632 ( 1.085 0.000 -4.274) 4.410 16.980 ( 2.594 0.000 17.041) 17.237 17.062 ( 0.449 0.000 2.008) 2.057 17.404 ( -0.925 -0.000 -8.016) 8.069 17.437 ( -2.426 -0.000 -1.963) 3.121 18.084 ( -0.523 -0.000 7.095) 7.114 18.193 ( 2.295 0.000 -2.086) 3.102 18.247 ( 4.355 0.000 13.162) 13.863 18.884 ( 6.494 0.000 0.421) 6.508 19.151 ( -2.138 -0.000 3.329) 3.957 19.203 ( -2.001 -0.000 1.537) 2.523 19.399 ( -4.912 -0.000 -9.221) 10.448 19.467 ( -7.406 -0.000 -6.817) 10.066 19.920 ( 7.256 0.000 -6.776) 9.928 20.035 ( -1.351 -0.000 -7.897) 8.012 21.587 ( -0.664 -0.000 0.714) 0.975 21.681 ( 0.781 0.000 -1.209) 1.439 21.798 ( -0.007 -0.000 6.486) 6.486 21.863 ( -3.364 -0.000 -0.856) 3.472 27.725 ( 0.334 0.000 0.713) 0.787 27.781 ( 1.141 0.000 -1.269) 1.706 27.902 ( -1.178 -0.000 -0.948) 1.512 27.923 ( 1.321 0.000 0.312) 1.358 35.516 ( -1.100 -0.000 -3.987) 4.136 35.612 ( 8.135 0.000 2.559) 8.528 37.327 ( 2.853 0.000 17.855) 18.082 37.384 ( -2.031 -0.000 3.606) 4.139 38.975 ( 4.578 0.000 5.927) 7.489 39.068 ( -0.681 -0.000 9.605) 9.629 39.825 ( 2.739 0.000 -39.201) 39.297 39.893 ( 3.896 0.000 -13.517) 14.068 ======================= Grid point 177 (89/150) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -0.802 0.568 -0.481) 1.094 0.920 ( -1.758 -1.406 -7.098) 7.446 1.237 ( -3.060 0.443 0.990) 3.246 1.314 ( -0.998 -5.232 -2.844) 6.038 1.656 ( -10.043 -0.038 6.784) 12.119 1.718 ( -6.152 -0.045 3.658) 7.157 2.118 ( 0.108 -3.466 -8.503) 9.183 2.484 ( 14.908 -2.665 12.545) 19.666 2.718 ( -9.462 0.631 -7.375) 12.013 3.305 ( -5.723 9.132 1.109) 10.833 3.637 ( -19.196 0.735 -4.847) 19.812 3.797 ( -15.116 -9.895 -5.649) 18.929 4.202 ( -2.785 -0.924 -11.900) 12.257 4.613 ( -45.961 -7.337 -39.671) 61.156 5.008 ( -10.613 -1.164 5.852) 12.175 5.159 ( -1.185 -2.067 -4.956) 5.499 5.612 ( -3.294 6.076 -3.091) 7.571 5.734 ( -5.888 -4.091 -0.683) 7.202 5.900 ( -13.887 -4.682 4.773) 15.413 6.177 ( -5.835 3.781 -1.973) 7.228 6.360 ( 5.324 14.857 4.186) 16.328 6.646 ( 6.179 2.081 1.555) 6.703 6.906 ( 8.486 -14.126 -1.654) 16.562 7.128 ( -0.407 -4.258 -0.658) 4.328 7.511 ( 17.962 8.719 3.738) 20.313 7.753 ( 13.409 -2.733 2.255) 13.869 8.140 ( -1.704 4.432 6.159) 7.776 8.246 ( 21.203 -2.757 18.527) 28.292 8.467 ( 12.089 -3.963 3.998) 13.335 9.076 ( -3.650 2.688 -5.064) 6.797 9.191 ( 8.852 4.048 19.269) 21.588 9.331 ( 13.028 1.772 -4.958) 14.052 10.262 ( -2.095 0.743 -1.248) 2.549 10.486 ( 5.645 1.226 6.231) 8.497 10.889 ( -4.634 1.807 2.937) 5.776 11.251 ( 2.363 7.416 -0.622) 7.808 11.301 ( 0.232 1.291 0.361) 1.361 11.322 ( 7.034 -0.093 2.207) 7.373 12.003 ( -1.384 -0.996 -5.064) 5.343 12.065 ( 4.374 -1.779 0.001) 4.722 12.411 ( -5.566 1.966 -2.181) 6.293 12.624 ( -1.525 1.639 -0.450) 2.283 12.935 ( -3.059 0.877 7.794) 8.419 13.094 ( -5.288 13.064 -7.806) 16.111 13.459 ( 0.718 -6.109 4.807) 7.807 13.568 ( -1.585 -8.450 -7.056) 11.122 13.915 ( -9.436 -5.709 -0.734) 11.053 14.107 ( -3.249 -4.639 1.359) 5.825 14.882 ( -8.893 3.959 -3.430) 10.321 15.077 ( 5.745 -8.274 13.845) 17.122 15.330 ( 5.562 9.434 1.587) 11.066 15.636 ( 8.664 -10.420 4.569) 14.301 16.278 ( 5.183 11.418 6.536) 14.140 16.590 ( -0.325 -0.850 -3.141) 3.271 16.928 ( -5.216 15.455 -7.759) 18.063 17.033 ( 0.961 9.568 -1.753) 9.775 17.378 ( 0.538 -13.790 13.670) 19.424 17.593 ( -0.157 -14.970 -4.495) 15.632 18.119 ( -0.854 -1.635 4.103) 4.499 18.228 ( 2.005 -2.355 -1.434) 3.409 18.457 ( 3.528 -2.712 11.856) 12.664 18.838 ( 1.721 8.180 -13.476) 15.858 19.043 ( -13.728 3.709 -9.983) 17.375 19.057 ( -9.206 0.976 -10.584) 14.061 19.312 ( -1.377 -0.091 1.190) 1.822 19.337 ( -1.831 2.841 -1.489) 3.694 19.960 ( -0.059 -0.971 -6.422) 6.495 19.997 ( 6.127 -3.503 1.818) 7.288 21.590 ( -0.309 -0.160 0.758) 0.834 21.668 ( 0.132 0.975 -0.772) 1.250 21.815 ( -2.513 1.011 0.194) 2.716 21.900 ( 1.726 -2.078 7.914) 8.362 27.738 ( 0.324 -0.574 -0.032) 0.660 27.787 ( 1.326 -0.770 -0.771) 1.716 27.890 ( -0.427 -0.296 -0.036) 0.521 27.936 ( 0.875 0.542 0.315) 1.076 35.503 ( 1.045 -3.083 -2.607) 4.170 35.753 ( 9.067 -2.102 3.012) 9.783 37.222 ( -7.610 14.823 3.192) 16.965 37.601 ( 5.961 -6.087 10.092) 13.207 39.056 ( 2.422 2.849 4.479) 5.834 39.135 ( -0.577 0.418 -1.278) 1.463 39.422 ( -3.163 -3.031 -35.084) 35.357 39.891 ( 5.826 -8.302 -9.548) 13.930 ======================= Grid point 178 (90/150) ======================= q-point: (-0.12 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -5.506 4.343 -10.468) 12.600 0.974 ( 1.234 -6.456 1.848) 6.828 1.218 ( -7.487 -5.586 1.706) 9.496 1.331 ( -2.662 -3.800 -2.692) 5.364 1.654 ( -8.419 -4.588 8.348) 12.713 1.699 ( -6.145 -1.076 4.658) 7.786 2.113 ( 4.378 -3.107 -7.594) 9.300 2.567 ( -2.253 -0.338 -5.225) 5.700 2.847 ( 10.073 -4.079 5.440) 12.153 2.930 ( -28.798 2.672 -6.610) 29.668 3.295 ( -20.868 -0.689 -15.866) 26.224 3.675 ( -8.091 -7.295 -8.097) 13.573 4.114 ( -2.757 -5.401 -7.697) 9.798 4.284 ( -21.271 -22.852 -0.772) 31.229 4.932 ( -7.370 5.357 3.674) 9.824 5.080 ( -8.382 1.352 -5.608) 10.175 5.389 ( -9.379 0.580 -9.827) 13.597 5.647 ( -10.114 -4.216 -7.494) 13.275 5.942 ( -6.523 -4.380 9.737) 12.511 6.167 ( -0.057 -0.195 -1.577) 1.590 6.295 ( 0.735 5.322 8.695) 10.221 6.692 ( 6.759 -0.281 1.463) 6.921 7.065 ( 0.890 -9.925 -6.013) 11.638 7.198 ( 2.975 5.271 8.513) 10.445 7.624 ( 21.102 9.074 -1.767) 23.038 7.875 ( 9.019 4.060 1.555) 10.012 8.044 ( -5.314 6.346 1.118) 8.352 8.521 ( 6.570 5.250 4.865) 9.716 8.741 ( 9.671 -2.060 4.824) 11.001 8.986 ( 8.536 3.345 -1.862) 9.355 9.378 ( 14.359 3.674 -1.004) 14.855 9.433 ( 7.444 4.527 15.619) 17.885 10.218 ( 0.178 1.622 -2.054) 2.623 10.599 ( 6.789 0.824 6.068) 9.143 10.830 ( -5.496 1.706 2.316) 6.203 11.062 ( -1.749 12.529 -5.008) 13.606 11.287 ( 1.331 -1.361 -2.416) 3.076 11.476 ( 8.587 0.296 8.113) 11.817 11.951 ( -1.485 -0.885 -5.869) 6.118 12.142 ( 4.317 -3.052 -1.773) 5.576 12.287 ( -5.322 1.420 -5.608) 7.861 12.581 ( -2.702 -0.735 0.279) 2.814 12.816 ( -5.736 9.970 -3.732) 12.093 12.962 ( -0.104 0.569 4.851) 4.886 13.571 ( -1.919 -0.240 0.474) 1.991 13.608 ( -2.862 -8.547 6.090) 10.878 13.989 ( -3.069 -13.616 -0.263) 13.960 14.223 ( 2.096 -9.376 3.972) 10.396 14.631 ( -14.043 6.851 -5.192) 16.465 15.246 ( 2.722 8.438 -2.776) 9.291 15.512 ( 15.313 -5.256 21.466) 26.887 15.907 ( 6.054 -7.156 6.301) 11.294 16.200 ( 9.350 14.278 1.343) 17.120 16.551 ( 1.663 18.177 -3.666) 18.617 16.632 ( -3.846 -5.407 1.514) 6.806 16.976 ( -2.006 0.435 0.931) 2.254 17.612 ( -3.408 -5.258 3.429) 7.143 17.719 ( 0.768 -9.010 -3.237) 9.604 18.175 ( -3.962 1.848 3.911) 5.866 18.263 ( 0.831 -2.929 -7.092) 7.718 18.422 ( -6.434 5.757 -20.836) 22.553 18.594 ( 1.543 -2.674 3.589) 4.734 18.819 ( -8.407 0.944 -3.917) 9.323 18.829 ( -9.317 0.638 -9.455) 13.290 19.250 ( -3.744 4.095 0.862) 5.615 19.349 ( -1.444 -2.334 -0.846) 2.872 19.927 ( 1.319 -1.120 -4.130) 4.478 20.153 ( 3.897 -5.379 4.929) 8.271 21.598 ( -0.010 -0.250 0.607) 0.656 21.649 ( -0.390 0.862 0.049) 0.948 21.776 ( -2.236 0.931 -0.126) 2.426 22.031 ( 3.324 -0.246 8.430) 9.065 27.750 ( 0.922 -0.915 -0.268) 1.326 27.817 ( 1.372 -1.891 -0.110) 2.339 27.896 ( -0.228 -0.313 0.880) 0.961 27.929 ( -0.092 1.559 0.241) 1.581 35.567 ( 2.504 -6.146 -1.169) 6.739 35.883 ( 6.635 0.651 2.519) 7.126 36.896 ( -15.491 14.723 -1.388) 21.417 37.798 ( 13.398 0.183 -2.194) 13.578 38.829 ( -5.283 4.951 -21.783) 22.955 39.076 ( 0.925 3.936 0.935) 4.150 39.408 ( -3.243 -17.863 -2.638) 18.346 40.037 ( 7.063 -11.999 -4.377) 14.595 ======================= Grid point 185 (91/150) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -4.128 -0.000 -12.552) 13.213 0.815 ( -3.859 -0.000 0.735) 3.929 1.174 ( -5.486 -0.000 -1.557) 5.703 1.234 ( -11.311 -0.000 4.425) 12.146 1.599 ( -10.936 -0.000 5.612) 12.292 1.695 ( -4.678 -0.000 3.795) 6.024 2.023 ( 1.682 0.000 -7.183) 7.378 2.517 ( -9.128 -0.000 -10.485) 13.902 2.806 ( 15.115 0.000 11.480) 18.980 3.221 ( -25.708 -0.000 3.648) 25.965 3.251 ( -50.675 -0.000 -35.938) 62.125 3.520 ( -1.986 -0.000 2.723) 3.370 3.786 ( -15.024 -0.000 -1.908) 15.145 4.070 ( -2.137 -0.000 -8.345) 8.614 5.027 ( -7.640 -0.000 4.627) 8.932 5.071 ( -3.725 -0.000 -3.614) 5.190 5.384 ( -16.951 -0.000 -10.873) 20.138 5.700 ( -4.327 -0.000 -0.826) 4.406 5.864 ( -6.990 -0.000 6.777) 9.736 6.016 ( -11.266 -0.000 -3.349) 11.753 6.527 ( -5.813 -0.000 2.944) 6.516 6.694 ( 8.275 0.000 4.842) 9.587 6.992 ( 2.747 0.000 -8.134) 8.585 7.093 ( 21.596 0.000 -0.568) 21.604 7.831 ( 3.878 0.000 8.469) 9.314 7.894 ( 17.553 0.000 0.521) 17.560 8.223 ( 5.185 0.000 5.425) 7.504 8.571 ( 11.653 0.000 -0.262) 11.656 8.688 ( 18.216 0.000 15.643) 24.011 9.026 ( 6.207 0.000 -2.373) 6.646 9.430 ( 13.479 0.000 -4.549) 14.226 9.501 ( 5.545 0.000 14.410) 15.440 10.241 ( -0.056 -0.000 -1.775) 1.776 10.612 ( 6.028 0.000 5.733) 8.319 10.855 ( -6.178 -0.000 0.807) 6.230 11.246 ( -0.874 -0.000 -7.621) 7.670 11.300 ( 3.239 0.000 -9.498) 10.035 11.477 ( 6.795 0.000 10.009) 12.097 11.937 ( -1.932 -0.000 -2.835) 3.431 12.091 ( 3.068 0.000 -0.550) 3.117 12.331 ( -7.228 -0.000 -2.986) 7.820 12.556 ( -6.475 -0.000 -4.867) 8.100 12.993 ( -4.245 -0.000 10.256) 11.100 13.039 ( -8.391 -0.000 -7.544) 11.283 13.420 ( 2.071 0.000 -4.699) 5.136 13.521 ( 4.583 0.000 6.806) 8.205 13.794 ( -7.869 -0.000 2.907) 8.389 14.032 ( -1.773 -0.000 -0.726) 1.916 14.876 ( -9.586 -0.000 1.132) 9.653 15.240 ( 10.924 0.000 27.126) 29.243 15.620 ( 7.874 0.000 3.183) 8.493 15.624 ( 8.779 0.000 12.675) 15.418 16.482 ( 9.622 0.000 1.034) 9.678 16.520 ( -5.376 -0.000 -0.176) 5.379 16.968 ( -4.959 -0.000 -3.049) 5.822 17.063 ( 2.021 0.000 -16.570) 16.693 17.394 ( 2.908 0.000 8.879) 9.343 17.405 ( -1.162 -0.000 3.395) 3.588 18.113 ( -0.735 -0.000 2.514) 2.619 18.265 ( 2.783 0.000 0.751) 2.883 18.554 ( 0.082 0.000 4.546) 4.547 18.622 ( -5.470 -0.000 -43.685) 44.026 18.857 ( -9.548 -0.000 -8.522) 12.798 18.861 ( -13.358 -0.000 -0.570) 13.370 19.284 ( -5.481 -0.000 3.552) 6.531 19.318 ( -3.700 -0.000 0.298) 3.712 19.910 ( 0.584 0.000 -3.575) 3.622 20.062 ( 5.988 0.000 3.019) 6.705 21.595 ( -0.130 -0.000 0.980) 0.989 21.661 ( -0.547 -0.000 -1.059) 1.192 21.810 ( -0.253 -0.000 -0.337) 0.421 22.012 ( 3.465 0.000 12.265) 12.745 27.737 ( 0.545 0.000 -0.423) 0.689 27.787 ( 1.325 0.000 -0.540) 1.431 27.886 ( -0.140 -0.000 0.436) 0.458 27.951 ( 0.440 0.000 0.373) 0.577 35.480 ( 2.452 0.000 -1.615) 2.936 35.884 ( 10.046 0.000 4.461) 10.991 37.262 ( -5.755 -0.000 -5.488) 7.952 37.625 ( 0.707 0.000 -8.025) 8.056 38.882 ( -6.648 -0.000 -38.332) 38.904 39.132 ( 0.838 0.000 0.785) 1.148 39.170 ( -6.487 -0.000 6.192) 8.968 39.841 ( 5.529 0.000 -0.787) 5.584 ======================= Grid point 186 (92/150) ======================= q-point: (-0.12 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -7.003 3.658 -11.501) 13.953 0.835 ( -8.753 -10.127 2.433) 13.605 1.079 ( -9.320 0.086 4.727) 10.450 1.251 ( -6.876 -7.895 6.751) 12.458 1.554 ( -10.758 -4.260 7.018) 13.533 1.688 ( -3.801 0.070 3.920) 5.461 1.971 ( -30.472 -7.638 -13.883) 34.345 2.062 ( -14.677 -9.501 -12.603) 21.552 2.721 ( 0.402 10.494 1.981) 10.687 3.026 ( -0.782 0.279 5.086) 5.153 3.151 ( 0.957 -3.235 8.344) 9.000 3.512 ( -6.005 -1.428 1.887) 6.454 3.870 ( -8.068 -18.855 7.047) 21.685 4.017 ( -0.881 -1.408 -0.610) 1.770 4.900 ( -9.163 2.562 -7.805) 12.306 5.016 ( -2.469 1.323 0.097) 2.803 5.154 ( -11.519 -1.755 -5.296) 12.799 5.505 ( -8.257 6.849 -6.578) 12.584 5.872 ( -9.638 -4.382 7.703) 13.093 6.028 ( -2.274 -11.359 -0.091) 11.584 6.422 ( -6.734 8.016 1.608) 10.592 6.796 ( 6.786 1.094 1.032) 6.950 6.996 ( 6.375 -2.275 -4.401) 8.074 7.316 ( 12.959 -3.453 -1.209) 13.465 7.858 ( -4.388 1.899 3.896) 6.167 7.988 ( 13.414 9.635 -3.346) 16.852 8.263 ( 8.251 11.831 -0.410) 14.430 8.673 ( 6.313 3.644 2.355) 7.660 8.812 ( 1.919 1.170 -0.265) 2.263 9.165 ( 13.288 1.939 -1.928) 13.567 9.534 ( 6.326 4.151 -1.145) 7.652 9.613 ( 6.813 -2.298 4.992) 8.753 10.229 ( 2.698 0.952 -2.017) 3.500 10.725 ( 5.039 0.427 4.809) 6.978 10.801 ( -6.129 -0.018 2.940) 6.797 11.080 ( -1.328 4.614 -11.689) 12.636 11.252 ( 0.041 -1.014 -3.470) 3.616 11.651 ( 8.290 0.207 8.626) 11.965 11.885 ( -1.822 0.447 -4.592) 4.960 12.069 ( -6.211 -1.118 -6.317) 8.929 12.250 ( 2.010 1.055 -0.478) 2.320 12.509 ( -3.767 -4.200 3.917) 6.868 12.831 ( -6.422 7.372 -4.512) 10.768 13.026 ( -3.191 1.929 7.511) 8.386 13.473 ( 1.242 -6.885 -1.040) 7.073 13.634 ( -0.401 -1.093 6.789) 6.888 13.807 ( -4.544 -8.230 2.127) 9.638 14.115 ( 5.210 -9.388 0.923) 10.777 14.647 ( -14.297 13.467 2.034) 19.746 15.454 ( 6.545 16.385 2.371) 17.802 15.861 ( 13.540 -10.149 8.213) 18.809 15.985 ( 13.599 2.273 21.852) 25.839 16.434 ( 2.874 6.269 -2.419) 7.308 16.535 ( 1.350 3.076 5.075) 6.086 16.790 ( 5.574 8.803 -4.404) 11.312 16.947 ( -5.109 -0.080 -3.203) 6.031 17.503 ( -0.835 -7.644 -1.364) 7.810 17.551 ( 0.629 -9.469 -4.195) 10.376 18.010 ( -11.816 4.008 -25.158) 28.082 18.199 ( -2.900 -8.941 -1.616) 9.537 18.279 ( 0.107 1.790 -1.292) 2.210 18.533 ( -2.519 -1.148 -3.955) 4.827 18.697 ( -8.715 -0.132 -2.943) 9.199 18.729 ( -5.958 0.603 -1.893) 6.280 19.273 ( -4.486 2.699 4.504) 6.906 19.281 ( -4.404 -1.470 2.363) 5.209 19.902 ( 1.279 -0.828 -1.489) 2.130 20.167 ( 3.076 -3.627 2.573) 5.407 21.604 ( -0.036 0.026 0.970) 0.971 21.646 ( -0.539 -0.056 -0.451) 0.705 21.791 ( -0.423 2.584 0.449) 2.657 22.167 ( 4.756 1.561 7.952) 9.397 27.748 ( 1.239 -1.062 -0.317) 1.662 27.805 ( 1.138 -1.037 -0.526) 1.627 27.894 ( -0.401 -0.682 0.649) 1.023 27.949 ( -0.302 1.036 0.584) 1.227 35.522 ( 2.932 -3.332 -1.060) 4.563 36.019 ( 7.409 2.275 4.718) 9.073 36.843 ( -21.403 17.206 -14.266) 30.946 37.555 ( 1.836 -27.338 -39.410) 47.999 38.718 ( 2.761 2.282 9.530) 10.181 39.107 ( -0.185 1.108 -3.546) 3.720 39.228 ( -3.900 -7.906 10.345) 13.592 39.973 ( 5.616 -6.761 3.675) 9.526 ======================= Grid point 194 (93/150) ======================= q-point: (-0.12 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 3.624 0.000 4.561) 5.826 0.735 ( -7.779 -0.000 15.815) 17.625 1.070 ( -5.676 -0.000 3.049) 6.443 1.092 ( -23.708 -0.000 8.850) 25.306 1.532 ( -1.355 -0.000 47.436) 47.455 1.603 ( -10.923 -0.000 6.978) 12.962 1.690 ( -3.221 -0.000 3.951) 5.098 1.980 ( 2.779 0.000 -0.057) 2.779 2.874 ( 6.688 0.000 -0.185) 6.690 3.045 ( -2.511 -0.000 8.833) 9.183 3.248 ( 4.485 0.000 1.664) 4.783 3.461 ( -10.141 -0.000 0.230) 10.143 3.720 ( -4.634 -0.000 5.555) 7.234 4.066 ( 1.131 0.000 10.669) 10.728 4.711 ( -5.425 -0.000 -15.504) 16.425 5.002 ( -0.708 -0.000 0.080) 0.712 5.059 ( -3.248 -0.000 7.916) 8.556 5.479 ( -3.359 -0.000 -3.970) 5.201 5.764 ( -6.729 -0.000 0.051) 6.730 5.970 ( -1.221 -0.000 9.063) 9.145 6.401 ( -7.724 -0.000 -1.607) 7.889 6.788 ( -1.387 -0.000 -10.527) 10.618 7.027 ( 6.457 0.000 -1.175) 6.563 7.409 ( 13.599 0.000 -3.332) 14.001 7.844 ( -7.984 -0.000 3.308) 8.642 8.128 ( 7.499 0.000 -6.501) 9.924 8.349 ( 0.531 0.000 -8.564) 8.580 8.804 ( 2.841 0.000 4.096) 4.985 8.824 ( 1.577 0.000 -1.824) 2.411 9.205 ( 5.701 0.000 -11.451) 12.792 9.440 ( -5.385 -0.000 -16.503) 17.360 9.769 ( 6.910 0.000 5.918) 9.098 10.265 ( 5.370 0.000 -1.260) 5.516 10.768 ( -6.172 -0.000 4.970) 7.924 10.801 ( 1.141 0.000 2.500) 2.748 11.022 ( 5.660 0.000 -8.262) 10.015 11.193 ( -0.526 -0.000 -4.566) 4.597 11.807 ( 1.542 0.000 2.967) 3.343 11.840 ( 1.614 0.000 -1.803) 2.420 11.901 ( -5.379 -0.000 -3.623) 6.485 12.309 ( 5.618 0.000 0.882) 5.687 12.551 ( 2.690 0.000 9.967) 10.324 12.780 ( -4.778 -0.000 -2.487) 5.386 13.070 ( -5.567 -0.000 8.508) 10.168 13.437 ( 2.412 0.000 -1.564) 2.874 13.624 ( -4.117 -0.000 0.135) 4.120 13.758 ( -2.411 -0.000 6.255) 6.704 14.212 ( 12.397 0.000 10.066) 15.969 14.584 ( -15.071 -0.000 -1.614) 15.157 15.745 ( 0.042 0.000 -13.154) 13.154 15.772 ( -1.476 -0.000 2.791) 3.157 16.080 ( -13.426 -0.000 -12.116) 18.084 16.504 ( -20.600 -0.000 -18.388) 27.612 16.549 ( 9.606 0.000 -14.378) 17.292 16.891 ( -1.208 -0.000 0.940) 1.531 17.069 ( 31.536 0.000 23.016) 39.042 17.376 ( 8.340 0.000 -2.545) 8.720 17.474 ( -2.442 -0.000 2.729) 3.662 17.858 ( 8.027 0.000 9.367) 12.336 18.097 ( -5.096 -0.000 1.723) 5.379 18.261 ( -0.853 -0.000 -2.630) 2.764 18.500 ( -0.424 -0.000 -2.202) 2.242 18.579 ( -6.951 -0.000 0.881) 7.007 18.684 ( 0.604 0.000 2.642) 2.710 19.278 ( -4.031 -0.000 6.265) 7.450 19.321 ( -1.991 -0.000 8.362) 8.596 19.906 ( 0.864 0.000 0.908) 1.254 20.173 ( 0.982 0.000 -0.327) 1.035 21.615 ( -0.216 -0.000 1.325) 1.343 21.638 ( -0.031 -0.000 -0.161) 0.164 21.817 ( 0.500 0.000 0.143) 0.520 22.248 ( -0.850 -0.000 -3.885) 3.977 27.747 ( 1.293 0.000 -0.303) 1.328 27.799 ( 0.261 0.000 -1.648) 1.669 27.884 ( -0.887 -0.000 0.079) 0.891 27.964 ( 0.227 0.000 1.602) 1.618 35.513 ( 2.029 0.000 -2.082) 2.907 36.158 ( 4.214 0.000 5.165) 6.666 36.498 ( -23.323 -0.000 -10.308) 25.499 37.019 ( -0.774 -0.000 -9.282) 9.314 38.911 ( 4.890 0.000 -0.522) 4.918 39.044 ( -0.164 -0.000 -8.218) 8.220 39.462 ( 22.277 0.000 35.154) 41.618 40.044 ( 2.790 0.000 9.614) 10.010 ======================= Grid point 195 (94/150) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 10.610 0.000 1.371) 10.698 0.908 ( -7.630 -0.000 -1.694) 7.816 1.366 ( -0.642 -0.000 5.149) 5.189 1.413 ( 2.740 0.000 3.023) 4.080 1.801 ( -8.255 -0.000 9.504) 12.589 1.812 ( -0.745 -0.000 4.569) 4.629 2.455 ( 16.478 0.000 6.281) 17.635 2.538 ( 3.874 0.000 3.548) 5.253 2.798 ( -17.174 -0.000 -7.203) 18.624 2.980 ( -8.433 -0.000 -8.225) 11.779 3.798 ( 8.278 0.000 9.106) 12.307 3.803 ( -3.114 -0.000 18.373) 18.635 4.305 ( 8.321 0.000 17.354) 19.246 4.961 ( 6.160 0.000 10.409) 12.095 4.980 ( 15.139 0.000 13.419) 20.230 5.449 ( 0.101 0.000 1.390) 1.394 5.465 ( 0.214 0.000 -6.012) 6.016 5.579 ( 5.353 0.000 -1.004) 5.447 5.857 ( -4.670 -0.000 -1.078) 4.793 5.890 ( 4.640 0.000 -8.536) 9.716 6.049 ( 18.733 0.000 40.894) 44.980 6.591 ( 6.511 0.000 9.338) 11.384 7.113 ( -2.702 -0.000 1.708) 3.197 7.299 ( -15.037 -0.000 -25.959) 29.999 7.491 ( 2.755 0.000 -8.893) 9.310 7.855 ( -1.219 -0.000 -3.465) 3.673 7.877 ( -10.212 -0.000 5.729) 11.709 8.331 ( -19.812 -0.000 -26.330) 32.951 8.584 ( 3.660 0.000 3.280) 4.915 8.870 ( 6.952 0.000 -3.807) 7.926 8.878 ( -11.544 -0.000 -5.047) 12.599 9.218 ( -3.679 -0.000 -22.503) 22.802 10.369 ( 6.885 0.000 -2.554) 7.343 10.394 ( -6.744 -0.000 -7.295) 9.935 10.822 ( -10.513 -0.000 2.811) 10.882 10.892 ( 8.799 0.000 -1.758) 8.973 11.293 ( -12.485 -0.000 -3.322) 12.920 11.312 ( 10.226 0.000 -1.494) 10.334 12.081 ( 8.464 0.000 0.696) 8.492 12.129 ( 1.067 0.000 -1.194) 1.601 12.350 ( 3.370 0.000 1.392) 3.646 12.514 ( -8.769 -0.000 -5.149) 10.169 12.971 ( 11.063 0.000 6.198) 12.681 13.105 ( -16.754 -0.000 0.703) 16.769 13.458 ( 4.259 0.000 1.515) 4.521 13.503 ( -3.297 -0.000 -0.117) 3.299 14.217 ( 2.336 0.000 9.759) 10.035 14.331 ( -5.329 -0.000 2.198) 5.765 14.961 ( -0.133 -0.000 7.681) 7.682 15.141 ( 11.657 0.000 14.701) 18.762 15.506 ( -10.491 -0.000 -4.838) 11.553 15.893 ( -7.567 -0.000 -1.181) 7.659 16.161 ( -2.163 -0.000 -12.292) 12.481 16.168 ( 4.137 0.000 -8.677) 9.613 16.960 ( 0.054 0.000 5.035) 5.035 17.069 ( 2.597 0.000 6.393) 6.900 17.350 ( -0.190 -0.000 -5.659) 5.662 17.388 ( -1.380 -0.000 -7.903) 8.023 17.874 ( -8.255 -0.000 -3.675) 9.036 18.103 ( 4.904 0.000 -8.966) 10.220 18.334 ( -3.179 -0.000 6.485) 7.222 18.688 ( 12.804 0.000 -7.483) 14.831 18.994 ( 7.732 0.000 11.778) 14.089 19.271 ( -6.756 -0.000 -0.689) 6.791 19.564 ( -2.111 -0.000 9.189) 9.429 19.576 ( 10.792 0.000 16.107) 19.389 19.907 ( 0.405 0.000 -4.203) 4.223 20.076 ( -1.158 -0.000 -6.533) 6.635 21.663 ( -1.767 -0.000 1.541) 2.345 21.685 ( 2.500 0.000 0.782) 2.619 21.826 ( 0.167 0.000 0.244) 0.296 21.874 ( -6.121 -0.000 -1.843) 6.393 27.757 ( 1.932 0.000 -0.738) 2.069 27.767 ( -1.397 -0.000 -0.575) 1.511 27.877 ( 1.144 0.000 1.812) 2.143 27.975 ( -1.011 -0.000 -1.493) 1.803 35.713 ( 7.323 0.000 6.432) 9.746 36.047 ( -10.643 -0.000 -6.863) 12.664 36.793 ( -2.315 -0.000 5.271) 5.757 36.916 ( 10.639 0.000 -1.963) 10.819 38.669 ( -2.415 -0.000 -4.719) 5.301 38.703 ( 2.010 0.000 -6.355) 6.665 40.472 ( -3.341 -0.000 8.322) 8.967 40.658 ( 16.385 0.000 -0.490) 16.392 ======================= Grid point 196 (95/150) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -8.160 -0.702 -2.736) 8.635 0.960 ( 9.318 0.731 1.146) 9.417 1.401 ( -0.364 -0.769 1.845) 2.031 1.462 ( 3.101 -0.439 -0.007) 3.132 1.800 ( -7.082 -0.931 5.760) 9.176 1.857 ( -0.518 -0.217 5.670) 5.698 2.446 ( -18.643 0.577 -7.717) 20.185 2.598 ( 8.316 3.249 4.629) 10.057 2.796 ( 3.834 -5.884 4.637) 8.416 2.894 ( 5.456 -0.929 -1.620) 5.767 3.861 ( 2.998 1.631 7.679) 8.403 3.962 ( 5.044 3.207 2.226) 6.378 4.667 ( 11.533 -1.764 25.157) 27.731 4.946 ( -8.998 1.266 -16.047) 18.441 5.028 ( -6.809 -0.473 5.857) 8.994 5.425 ( 8.149 3.285 -10.455) 13.656 5.479 ( 0.624 -1.157 2.909) 3.192 5.547 ( -0.018 -0.743 -5.570) 5.620 5.797 ( -8.032 -4.654 -2.532) 9.622 6.026 ( 12.798 -9.854 -2.456) 16.337 6.381 ( -0.664 15.820 7.168) 17.381 6.599 ( 2.390 15.341 -7.569) 17.273 7.129 ( -2.893 -5.010 5.077) 7.697 7.321 ( 20.565 -7.767 21.150) 30.505 7.489 ( 6.844 0.218 8.774) 11.130 7.785 ( -20.097 -4.633 -25.793) 33.025 7.872 ( -4.584 -8.388 5.115) 10.841 7.982 ( -4.353 -9.625 -2.192) 10.789 8.605 ( -3.359 2.120 3.236) 5.124 8.713 ( -9.568 3.806 2.676) 10.639 8.867 ( 4.143 2.091 -8.321) 9.528 9.036 ( 3.673 0.787 -13.473) 13.987 10.260 ( -6.814 1.464 -3.801) 7.938 10.370 ( 4.145 3.436 -2.736) 6.039 10.745 ( -9.696 -2.268 2.784) 10.340 10.992 ( 8.664 -0.334 -1.028) 8.731 11.153 ( -8.871 0.440 0.464) 8.894 11.388 ( 9.249 2.007 -1.282) 9.551 12.082 ( -4.253 0.102 -3.969) 5.818 12.151 ( 5.668 0.467 -0.981) 5.771 12.374 ( -5.230 0.712 -2.259) 5.741 12.436 ( 5.284 0.680 2.694) 5.970 12.889 ( -15.400 2.683 0.152) 15.633 13.106 ( 10.342 6.954 5.058) 13.450 13.470 ( -4.382 -2.036 0.608) 4.870 13.625 ( 8.358 -8.772 0.829) 12.145 14.313 ( -3.588 0.332 1.785) 4.021 14.322 ( 2.675 -0.610 6.794) 7.327 15.099 ( 7.195 0.458 11.215) 13.333 15.216 ( -4.762 -1.187 -9.953) 11.097 15.517 ( 4.405 2.114 17.868) 18.524 15.777 ( -7.763 -0.610 -8.021) 11.179 15.948 ( -3.667 8.636 -5.983) 11.128 16.116 ( 3.908 3.855 -7.167) 9.028 17.035 ( 2.224 1.109 11.788) 12.047 17.204 ( 0.467 -6.202 5.414) 8.246 17.241 ( -3.914 1.524 -10.690) 11.485 17.337 ( -2.673 -7.074 -7.987) 10.999 17.853 ( -4.947 -6.523 3.597) 8.942 18.113 ( 5.184 -7.436 -8.373) 12.339 18.354 ( -6.159 -0.742 5.428) 8.243 18.664 ( 3.893 1.520 -10.623) 11.416 19.145 ( -5.112 2.198 -0.034) 5.564 19.198 ( 5.150 -0.713 6.035) 7.966 19.520 ( -2.088 11.907 7.920) 14.452 19.786 ( 6.018 12.317 -5.822) 14.893 19.865 ( -0.279 -7.567 7.223) 10.465 20.057 ( 3.547 -5.259 -5.221) 8.216 21.647 ( -2.065 0.740 0.838) 2.348 21.701 ( 1.632 2.194 0.063) 2.735 21.828 ( -0.807 -1.622 2.214) 2.860 21.849 ( -1.509 -1.704 -0.281) 2.294 27.749 ( -1.601 -0.935 -0.886) 2.055 27.778 ( 1.987 -0.626 -0.171) 2.090 27.910 ( 1.247 0.525 2.411) 2.765 27.939 ( -1.226 0.717 -2.167) 2.591 35.846 ( -3.095 1.434 0.007) 3.411 35.877 ( 0.506 -0.554 1.064) 1.302 36.771 ( -7.466 0.228 2.135) 7.768 37.031 ( 8.184 -5.396 -3.866) 10.538 38.627 ( -2.324 -3.058 -2.913) 4.820 38.691 ( 2.192 -2.021 -3.532) 4.622 40.458 ( -4.210 5.127 3.733) 7.612 40.719 ( 10.173 7.368 -4.919) 13.490 ======================= Grid point 197 (96/150) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -8.804 -0.564 -4.759) 10.024 1.050 ( 7.353 1.298 1.494) 7.615 1.403 ( -0.717 0.961 0.140) 1.207 1.497 ( 3.428 -0.740 -1.760) 3.924 1.785 ( -6.585 -1.041 3.691) 7.620 1.914 ( -1.139 -0.205 7.158) 7.251 2.164 ( -16.298 0.546 -7.014) 17.752 2.646 ( 0.363 -1.087 -1.142) 1.618 2.932 ( 9.137 1.692 7.892) 12.191 3.048 ( 8.721 -1.559 3.417) 9.496 3.704 ( -2.776 8.529 -13.652) 16.335 4.151 ( 12.495 0.390 7.240) 14.447 4.616 ( -19.786 -0.234 -15.947) 25.414 4.824 ( -6.506 5.388 -5.073) 9.853 5.034 ( -3.071 -2.287 4.171) 5.662 5.204 ( -6.280 -1.761 -18.109) 19.248 5.387 ( -7.602 4.657 -6.279) 10.905 5.666 ( 7.290 -2.851 9.196) 12.076 5.918 ( 6.695 -7.985 7.868) 13.057 6.051 ( -4.150 11.671 -7.895) 14.689 6.257 ( 8.682 -8.512 -4.144) 12.846 6.533 ( 10.963 8.854 10.743) 17.720 7.175 ( -0.761 -2.612 -0.840) 2.847 7.395 ( 4.240 -0.353 -6.363) 7.654 7.415 ( -12.134 -2.617 -16.568) 20.702 7.913 ( -11.192 -4.192 -2.531) 12.216 8.070 ( 6.039 -4.722 16.056) 17.793 8.170 ( 2.957 -8.593 11.102) 14.347 8.530 ( -6.349 3.003 2.518) 7.461 8.710 ( 0.992 1.027 5.474) 5.657 8.799 ( 9.427 -0.531 7.772) 12.229 9.029 ( 7.590 -0.832 -0.880) 7.686 10.151 ( -3.876 0.727 -1.674) 4.284 10.389 ( 4.358 0.044 3.614) 5.662 10.720 ( -6.920 -3.130 2.341) 7.947 10.969 ( -5.750 3.296 1.747) 6.854 11.179 ( 6.353 -2.662 -0.110) 6.889 11.446 ( 9.072 3.609 1.339) 9.855 11.980 ( -4.527 0.340 -5.613) 7.219 12.176 ( 2.470 -0.114 -2.287) 3.368 12.297 ( -3.345 -0.295 -2.973) 4.485 12.529 ( 5.619 2.261 6.274) 8.720 12.738 ( -8.783 -0.382 -0.348) 8.799 13.132 ( 9.787 10.602 3.024) 14.742 13.465 ( -4.994 -4.265 0.692) 6.604 13.810 ( 5.763 -5.163 -0.292) 7.743 14.264 ( -3.425 0.612 -0.902) 3.595 14.439 ( 3.629 -0.628 6.020) 7.057 14.973 ( -8.842 4.924 -10.441) 14.541 15.309 ( 2.010 -5.906 -2.276) 6.641 15.565 ( 0.229 4.933 -1.726) 5.231 15.767 ( -0.039 8.311 10.790) 13.620 15.817 ( 4.480 -1.670 7.556) 8.942 16.040 ( 5.843 6.158 -2.538) 8.861 17.034 ( -5.014 3.281 -6.278) 8.678 17.159 ( -0.231 1.135 5.245) 5.371 17.326 ( -4.189 -10.013 -4.064) 11.590 17.423 ( 1.183 -11.938 6.765) 13.772 17.926 ( -7.186 -8.045 3.264) 11.270 18.244 ( 5.355 -10.389 -5.025) 12.722 18.308 ( -7.862 -0.455 0.632) 7.900 18.576 ( 0.147 -0.136 -8.235) 8.238 18.992 ( -9.283 1.277 -6.463) 11.383 19.321 ( 5.697 5.047 2.082) 7.890 19.394 ( -2.839 6.043 4.251) 7.915 19.599 ( 5.806 17.810 -4.865) 19.354 19.894 ( -4.073 -4.292 -5.442) 8.039 20.202 ( 7.739 -2.951 4.397) 9.378 21.623 ( -1.481 0.632 0.307) 1.639 21.683 ( 0.682 2.274 0.374) 2.403 21.826 ( -2.318 -1.053 -1.749) 3.089 21.915 ( 2.000 -2.229 5.171) 5.975 27.742 ( -0.943 -1.262 -0.597) 1.685 27.811 ( 1.505 -1.221 0.429) 1.985 27.896 ( -0.829 0.623 -1.996) 2.249 27.933 ( 0.810 1.146 2.116) 2.539 35.712 ( -6.335 -1.273 -5.269) 8.337 35.988 ( 6.144 4.318 7.061) 10.308 36.695 ( -12.538 -3.412 2.132) 13.167 37.156 ( 7.450 -8.468 -6.262) 12.900 38.620 ( -3.207 -3.839 -2.333) 5.520 38.749 ( 2.511 -4.796 0.784) 5.470 40.317 ( -3.775 10.449 -2.343) 11.354 40.617 ( 5.938 11.655 -6.611) 14.656 ======================= Grid point 198 (97/150) ======================= q-point: (-0.62 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -8.962 -0.401 -6.712) 11.204 1.110 ( 4.787 1.714 1.513) 5.305 1.374 ( -1.262 1.450 -0.011) 1.922 1.512 ( 2.985 0.924 -2.731) 4.150 1.764 ( -6.115 -1.205 3.343) 7.072 1.958 ( -3.980 0.282 4.331) 5.889 1.990 ( -7.576 -2.040 -0.966) 7.905 2.589 ( -0.766 4.182 -8.595) 9.589 3.067 ( -0.590 1.559 3.105) 3.524 3.118 ( 13.889 7.916 7.288) 17.569 3.534 ( 3.483 2.595 -3.517) 5.589 3.974 ( -21.239 12.483 -22.877) 33.620 4.229 ( -13.455 1.802 -9.385) 16.504 4.642 ( -12.313 -7.311 -12.446) 18.973 5.024 ( -4.872 -1.560 -13.622) 14.551 5.135 ( -6.005 8.559 -1.504) 10.563 5.156 ( 7.653 1.832 8.205) 11.368 5.824 ( 7.277 -0.858 6.737) 9.954 5.944 ( 1.152 -1.044 -8.217) 8.363 6.144 ( 10.148 -3.795 4.447) 11.711 6.447 ( 4.958 -8.927 0.630) 10.231 6.701 ( 2.494 -6.687 8.854) 11.372 7.137 ( -2.443 5.651 -3.557) 7.110 7.226 ( -7.289 1.158 -3.089) 8.001 7.488 ( 7.349 -2.033 8.797) 11.642 7.658 ( -9.685 10.635 -8.432) 16.673 8.050 ( -7.448 -1.042 -4.915) 8.984 8.272 ( -4.783 2.149 3.555) 6.335 8.615 ( 1.194 -8.425 7.244) 11.175 8.681 ( 4.312 -4.409 -5.854) 8.503 9.115 ( 8.543 -1.703 1.046) 8.774 9.324 ( 15.632 -5.580 25.409) 30.350 10.123 ( -0.949 -0.999 -0.683) 1.538 10.539 ( 6.421 -3.305 9.458) 11.900 10.722 ( -4.090 -3.667 1.635) 5.732 10.907 ( -6.539 0.437 4.769) 8.105 11.267 ( 6.755 -1.138 -2.546) 7.309 11.528 ( 9.216 3.897 5.935) 11.634 11.877 ( -2.466 0.284 -7.002) 7.429 12.159 ( -0.873 -1.076 -5.464) 5.637 12.245 ( -0.975 1.353 -1.092) 1.993 12.575 ( -3.204 -0.759 2.503) 4.136 12.726 ( 2.613 0.943 3.844) 4.743 13.115 ( 8.940 9.836 1.297) 13.355 13.496 ( -3.246 -5.247 2.113) 6.522 13.879 ( 1.635 -0.784 0.171) 1.821 14.244 ( -1.414 -4.092 -0.976) 4.439 14.434 ( -4.871 4.986 -2.904) 7.551 14.741 ( -5.076 7.266 -4.047) 9.743 15.243 ( -4.081 -7.224 -13.259) 15.641 15.381 ( -4.641 14.473 -7.387) 16.899 15.905 ( 11.172 -1.726 15.555) 19.229 16.058 ( 9.212 2.709 4.378) 10.553 16.099 ( 5.875 -6.558 13.863) 16.422 16.904 ( -1.530 4.876 -1.204) 5.250 17.160 ( -3.354 -0.810 0.132) 3.453 17.349 ( -4.956 -6.284 -3.210) 8.623 17.665 ( -1.699 -11.602 5.622) 13.004 17.961 ( -11.119 -8.055 0.717) 13.749 18.175 ( -5.225 1.366 -2.079) 5.787 18.420 ( 5.609 -8.376 -3.115) 10.551 18.536 ( -0.607 -2.747 -2.772) 3.950 18.804 ( -8.437 1.243 -8.174) 11.813 19.215 ( -2.893 3.862 -3.699) 6.080 19.342 ( 2.660 18.275 -5.123) 19.165 19.414 ( 1.307 4.809 2.863) 5.747 19.861 ( 1.023 -1.801 -5.057) 5.465 20.328 ( 4.598 0.104 3.831) 5.986 21.608 ( -0.693 0.214 0.211) 0.755 21.667 ( 0.224 1.465 0.603) 1.600 21.789 ( -2.039 0.219 -1.765) 2.705 22.022 ( 2.005 -2.348 5.622) 6.414 27.749 ( -0.019 -1.016 -0.191) 1.034 27.849 ( 0.765 -1.741 0.786) 2.058 27.870 ( 0.017 0.406 -1.040) 1.116 27.939 ( 0.218 1.369 1.437) 1.997 35.661 ( -2.102 -3.672 -2.599) 4.965 35.994 ( 3.680 9.909 2.602) 10.886 36.669 ( -14.199 -8.702 5.901) 17.668 37.290 ( 8.492 -10.015 -9.915) 16.454 38.621 ( -3.117 -3.378 0.631) 4.640 38.868 ( 1.249 -6.341 3.259) 7.238 40.072 ( -1.891 14.159 -7.086) 15.946 40.437 ( 3.916 12.627 -7.082) 14.998 ======================= Grid point 199 (98/150) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( -5.910 -1.185 -6.066) 8.552 1.136 ( 2.403 2.282 1.306) 3.562 1.347 ( -1.463 0.565 0.257) 1.589 1.467 ( 0.283 5.837 -1.707) 6.088 1.757 ( -4.051 -0.932 3.418) 5.382 1.926 ( -5.141 2.107 1.798) 5.840 1.993 ( -3.004 -4.707 3.301) 6.487 2.396 ( 3.912 6.610 -12.077) 14.313 3.046 ( 0.824 3.267 3.885) 5.142 3.253 ( -16.086 17.183 -3.499) 23.796 3.282 ( -0.003 9.994 11.086) 14.925 3.588 ( 2.360 -1.422 -5.706) 6.336 4.064 ( -2.096 -3.657 -9.948) 10.804 4.471 ( -11.720 -8.319 -13.154) 19.483 4.791 ( -7.051 3.844 -8.269) 11.527 5.007 ( -4.742 4.860 1.555) 6.966 5.307 ( 5.413 2.962 6.225) 8.765 5.781 ( -5.386 6.155 -9.890) 12.833 6.029 ( 3.946 -0.298 7.945) 8.876 6.339 ( 5.999 4.389 9.283) 11.892 6.451 ( -4.105 -1.917 -1.909) 4.916 6.863 ( 2.901 5.035 4.460) 7.326 7.046 ( -1.002 -9.388 0.734) 9.470 7.206 ( 0.837 -11.057 -6.473) 12.839 7.271 ( -10.848 13.463 -4.167) 17.785 7.819 ( 12.589 -5.015 12.183) 18.223 8.004 ( 0.447 -5.911 -8.051) 9.998 8.173 ( -6.062 -0.525 -2.416) 6.546 8.762 ( 1.333 -5.062 -0.688) 5.280 8.828 ( 8.124 -4.926 4.652) 10.579 9.209 ( 4.225 -5.033 -3.842) 7.612 9.672 ( 7.835 -1.070 10.721) 13.321 10.124 ( 0.023 -1.364 -1.404) 1.957 10.709 ( 4.619 0.441 4.185) 6.248 10.800 ( -0.189 -7.199 5.853) 9.280 10.895 ( -6.190 -1.231 5.050) 8.083 11.297 ( 4.609 1.692 -3.395) 5.969 11.653 ( 7.494 1.288 6.751) 10.168 11.790 ( 0.537 0.689 -5.749) 5.815 12.065 ( -5.202 -0.597 -9.246) 10.626 12.231 ( 0.986 1.053 1.272) 1.923 12.578 ( -3.703 -3.389 0.997) 5.118 12.769 ( 1.296 3.053 4.842) 5.869 13.094 ( 6.371 6.804 0.006) 9.322 13.557 ( -1.224 -3.159 2.211) 4.046 13.896 ( -0.651 1.943 3.951) 4.451 14.241 ( -8.268 4.260 -3.277) 9.861 14.346 ( 3.455 -8.646 2.186) 9.564 14.520 ( -4.135 11.794 -6.787) 14.222 15.081 ( -4.663 9.200 -4.058) 11.084 15.264 ( 1.878 -12.880 -10.441) 16.686 16.111 ( 4.253 -0.023 5.118) 6.655 16.220 ( 6.245 -4.193 6.446) 9.906 16.387 ( 7.431 -4.878 11.347) 14.414 16.831 ( -0.035 8.101 3.777) 8.938 17.145 ( -1.847 -6.029 -4.804) 7.927 17.320 ( -4.860 0.953 2.710) 5.645 17.738 ( -2.941 -3.645 -4.499) 6.494 17.898 ( -8.676 -3.309 -2.485) 9.613 18.192 ( -2.557 -4.816 4.765) 7.241 18.520 ( 3.999 -3.595 -5.900) 7.983 18.551 ( 0.359 0.940 1.051) 1.456 18.654 ( -4.767 -0.232 -3.680) 6.027 19.068 ( 0.696 17.531 -1.794) 17.636 19.147 ( -3.390 -2.750 -1.897) 4.759 19.358 ( -1.511 3.235 -1.617) 3.920 19.862 ( 2.791 -0.454 -3.130) 4.218 20.375 ( 1.571 2.456 2.815) 4.053 21.606 ( -0.213 -0.108 0.243) 0.341 21.661 ( -0.115 0.595 0.723) 0.944 21.751 ( -1.384 0.191 -1.074) 1.762 22.119 ( 1.192 -2.135 4.089) 4.764 27.760 ( 0.519 -0.330 -0.119) 0.626 27.857 ( 0.247 0.459 -0.915) 1.053 27.891 ( 0.580 -1.515 1.639) 2.306 27.931 ( -0.498 1.016 0.516) 1.244 35.693 ( 1.325 -1.555 -0.351) 2.072 35.905 ( 0.911 5.535 -0.207) 5.613 36.704 ( -13.383 -6.509 8.967) 17.374 37.375 ( 9.335 -6.456 -17.062) 20.493 38.673 ( -0.808 -3.294 5.861) 6.772 38.981 ( -0.407 -4.963 2.352) 5.508 39.804 ( 0.661 13.908 -5.816) 15.089 40.261 ( 3.401 9.713 -5.016) 11.448 ======================= Grid point 200 (99/150) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 3.282 -1.437 0.013) 3.582 1.126 ( 0.203 3.089 0.952) 3.238 1.303 ( -2.284 6.713 1.421) 7.232 1.364 ( -2.833 4.243 3.480) 6.175 1.759 ( -2.894 -0.043 3.188) 4.305 1.832 ( -5.225 3.109 2.294) 6.498 2.102 ( 2.763 -1.649 2.731) 4.220 2.364 ( 6.636 -6.544 -4.993) 10.573 2.814 ( -8.320 24.607 24.539) 35.733 3.081 ( 0.086 -0.548 2.931) 2.983 3.356 ( 0.668 1.963 2.242) 3.054 3.580 ( 0.670 3.684 2.133) 4.309 4.094 ( 7.663 -4.199 0.223) 8.741 4.346 ( -7.768 -9.126 -17.187) 20.952 4.679 ( -1.683 6.127 6.114) 8.818 4.934 ( -3.115 4.787 6.944) 8.991 5.264 ( -4.594 11.386 6.909) 14.089 5.580 ( -4.318 6.192 -0.690) 7.580 5.916 ( -8.589 0.136 -7.647) 11.501 6.381 ( -8.613 12.067 2.382) 15.016 6.423 ( 3.619 5.079 7.387) 9.668 6.843 ( -1.187 -2.270 1.730) 3.091 6.976 ( -6.134 7.211 -6.486) 11.476 7.322 ( 5.049 -7.302 4.854) 10.118 7.395 ( 16.770 -20.019 -5.997) 26.795 7.924 ( -3.560 5.891 -1.704) 7.091 8.057 ( 3.190 -5.300 1.508) 6.367 8.255 ( 3.875 -17.050 -6.376) 18.611 8.812 ( -2.210 -5.073 -1.350) 5.696 8.961 ( 8.363 0.013 -2.423) 8.707 9.234 ( -0.632 -4.149 -11.243) 12.001 9.774 ( 1.482 0.261 1.801) 2.347 10.140 ( 1.719 -2.002 -1.455) 3.013 10.751 ( -0.662 -1.251 0.114) 1.420 10.878 ( -2.620 -1.509 0.165) 3.028 10.943 ( 2.022 -0.518 6.308) 6.645 11.242 ( -0.674 3.939 -5.380) 6.701 11.717 ( 1.851 -2.389 -2.012) 3.631 11.828 ( 3.216 0.727 3.458) 4.778 11.906 ( -4.642 0.522 -6.548) 8.043 12.258 ( 2.233 -0.422 1.193) 2.566 12.602 ( -2.335 -4.371 0.017) 4.955 12.776 ( -1.066 3.217 5.223) 6.226 13.080 ( -0.254 0.372 0.791) 0.910 13.573 ( 0.064 1.433 -0.424) 1.496 13.879 ( -2.779 4.484 4.511) 6.941 14.109 ( -2.801 9.395 1.590) 9.932 14.256 ( -2.972 4.094 -3.258) 6.018 14.581 ( 7.709 -3.741 8.097) 11.789 14.978 ( -5.724 -7.311 -3.602) 9.960 15.409 ( 4.300 -17.562 -9.402) 20.379 16.150 ( 1.520 3.251 1.163) 3.773 16.302 ( -2.493 -2.430 -3.397) 4.864 16.514 ( -4.446 -1.066 -2.463) 5.193 16.783 ( 2.064 5.822 6.500) 8.967 17.157 ( -2.709 -8.848 -9.109) 12.984 17.383 ( 8.372 4.099 16.852) 19.258 17.683 ( 1.031 0.889 -7.091) 7.221 17.864 ( -0.483 -0.285 1.282) 1.399 18.221 ( -4.400 0.053 0.517) 4.431 18.431 ( 2.117 8.048 -7.320) 11.083 18.588 ( 1.982 -0.176 4.513) 4.932 18.625 ( -3.680 -2.503 -2.585) 5.147 18.870 ( 3.218 14.348 3.960) 15.229 19.219 ( -2.446 -9.916 2.956) 10.632 19.317 ( -1.925 -0.804 2.868) 3.547 19.856 ( 1.215 0.063 -3.397) 3.608 20.358 ( -0.901 4.040 1.973) 4.585 21.609 ( -0.025 -0.309 0.218) 0.379 21.661 ( -0.262 0.229 0.769) 0.845 21.742 ( -0.590 -1.132 0.206) 1.293 22.170 ( -0.690 -1.548 0.119) 1.699 27.762 ( 0.359 0.319 -0.552) 0.732 27.839 ( 0.646 1.954 -0.585) 2.139 27.912 ( -1.152 0.502 -0.439) 1.331 27.933 ( 0.163 -1.799 1.465) 2.325 35.647 ( 0.984 6.980 -1.679) 7.246 35.956 ( 1.645 -7.751 2.541) 8.321 36.705 ( -11.273 0.334 10.407) 15.346 37.294 ( 8.490 4.526 -21.777) 23.808 38.775 ( 1.832 -1.924 2.476) 3.632 39.021 ( 0.349 -0.518 -1.391) 1.524 39.681 ( 4.484 5.495 6.233) 9.441 40.190 ( 3.123 2.969 1.307) 4.503 ======================= Grid point 201 (100/150) ======================= q-point: (-0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 9.817 -3.509 4.254) 11.260 1.082 ( -2.342 3.038 0.592) 3.881 1.243 ( -1.361 6.346 11.425) 13.140 1.349 ( -1.320 0.974 3.318) 3.701 1.765 ( -2.466 -0.010 4.286) 4.945 1.795 ( -5.457 1.168 6.867) 8.848 2.110 ( 4.955 4.767 0.191) 6.878 2.490 ( 6.298 0.475 3.216) 7.088 3.001 ( 3.838 -7.529 30.369) 31.523 3.145 ( 4.489 1.413 8.014) 9.293 3.279 ( -10.096 -1.011 -4.952) 11.290 3.546 ( 5.458 12.497 10.881) 17.446 4.225 ( -4.565 -3.125 -9.733) 11.196 4.339 ( 13.005 -6.385 8.917) 17.012 4.557 ( -1.980 25.577 20.703) 32.966 5.033 ( 5.148 -5.416 10.263) 12.695 5.235 ( 3.219 2.428 9.650) 10.458 5.470 ( -4.680 2.722 1.057) 5.516 5.848 ( -3.622 -10.451 -9.876) 14.828 6.036 ( -13.623 14.239 -3.662) 20.044 6.448 ( 2.086 9.780 12.009) 15.627 6.675 ( -8.729 8.188 -13.811) 18.276 6.964 ( 0.430 -6.728 1.094) 6.830 7.418 ( 10.531 2.674 -3.575) 11.438 7.789 ( 6.409 -5.961 -5.256) 10.210 7.879 ( -0.548 -12.928 8.460) 15.459 8.048 ( -6.812 -3.995 -9.879) 12.647 8.471 ( 6.587 -13.055 -5.368) 15.577 8.788 ( -6.652 -3.907 -9.546) 12.274 8.954 ( 4.965 4.115 -11.824) 13.468 9.097 ( -3.223 -0.157 -8.840) 9.411 9.742 ( -4.699 -0.926 -7.752) 9.112 10.190 ( 4.148 -2.977 -1.358) 5.283 10.725 ( -6.795 -2.291 -3.713) 8.075 10.845 ( 4.080 2.794 -5.996) 7.772 11.002 ( -3.758 2.833 5.791) 7.463 11.119 ( 2.748 1.810 -4.693) 5.732 11.676 ( -12.469 -1.157 -8.157) 14.945 11.807 ( 6.155 -3.373 2.458) 7.436 11.982 ( 7.532 1.451 5.475) 9.424 12.300 ( 1.771 -1.621 -0.481) 2.448 12.653 ( 1.150 -4.398 0.621) 4.588 12.755 ( -3.928 1.719 1.898) 4.689 13.105 ( -5.528 -6.037 3.164) 8.776 13.517 ( 1.235 5.590 -1.776) 5.994 13.779 ( -3.084 8.603 -0.434) 9.150 14.008 ( 1.189 6.370 8.025) 10.315 14.324 ( -0.820 -7.426 7.246) 10.407 14.690 ( 3.576 8.953 11.744) 15.194 15.028 ( -7.782 -15.728 -9.443) 19.927 15.614 ( 3.111 -16.096 -4.435) 16.983 16.074 ( -3.048 4.780 -4.124) 7.010 16.214 ( -4.540 -1.637 -8.070) 9.403 16.360 ( -6.508 2.325 -5.979) 9.139 16.800 ( -1.027 1.182 3.179) 3.544 17.159 ( -2.210 -5.482 -5.399) 8.006 17.555 ( 4.762 7.756 -1.321) 9.196 17.620 ( 7.315 5.493 0.439) 9.158 17.969 ( 12.723 -1.935 6.498) 14.416 18.147 ( -4.672 1.494 -1.526) 5.137 18.310 ( 4.930 4.762 -0.905) 6.913 18.509 ( -3.456 6.824 -5.141) 9.216 18.640 ( 1.203 -0.224 4.982) 5.130 18.952 ( 10.168 1.219 14.917) 18.094 19.309 ( -3.142 -4.602 2.197) 5.990 19.432 ( -1.552 -6.551 9.499) 11.643 19.833 ( 0.009 -2.134 -3.944) 4.484 20.291 ( -2.532 5.243 0.716) 5.866 21.619 ( 0.247 -0.661 0.377) 0.801 21.665 ( -0.180 0.219 1.056) 1.093 21.767 ( -0.286 -2.293 0.846) 2.461 22.133 ( -4.078 0.431 -4.287) 5.933 27.752 ( 0.247 0.431 -0.760) 0.908 27.811 ( 0.773 2.598 -0.188) 2.717 27.885 ( -1.310 0.371 -1.001) 1.690 27.968 ( -0.115 -1.651 0.804) 1.840 35.572 ( 2.924 5.066 0.312) 5.857 36.112 ( -0.947 -9.422 2.374) 9.763 36.681 ( -5.832 4.132 11.701) 13.712 37.065 ( 8.449 12.871 -16.114) 22.287 38.774 ( 1.105 0.132 -5.840) 5.945 38.959 ( 0.026 4.735 -6.416) 7.974 39.922 ( 14.117 -7.007 16.565) 22.865 40.263 ( 1.832 -2.185 7.437) 7.965 ======================= Grid point 202 (101/150) ======================= q-point: (-0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 10.617 -2.592 2.718) 11.261 1.005 ( -5.505 1.955 -0.603) 5.873 1.303 ( -0.385 1.352 10.505) 10.598 1.368 ( 1.107 2.076 4.533) 5.107 1.784 ( -1.212 0.208 3.742) 3.939 1.799 ( -9.557 1.065 12.316) 15.625 2.194 ( 13.552 -1.214 4.208) 14.242 2.529 ( 4.857 5.885 1.617) 7.799 3.057 ( -12.822 1.327 -8.216) 15.286 3.156 ( -11.608 -3.642 -6.110) 13.614 3.415 ( 1.719 -12.824 17.838) 22.037 3.769 ( 13.510 11.942 26.975) 32.446 4.144 ( -1.031 -2.633 -0.607) 2.892 4.544 ( 16.874 14.481 34.462) 41.013 4.722 ( 15.513 -0.289 15.065) 21.626 5.304 ( 8.343 -1.722 15.142) 17.374 5.386 ( 5.534 -2.692 6.348) 8.842 5.513 ( 4.167 -6.606 11.164) 13.625 5.695 ( -10.125 7.428 -5.192) 13.588 5.884 ( -2.296 -7.689 -5.623) 9.799 6.261 ( -8.826 13.152 -19.283) 24.954 6.481 ( 3.824 7.369 12.054) 14.636 7.064 ( -0.576 -5.870 1.679) 6.133 7.441 ( 7.963 1.514 -6.077) 10.130 7.749 ( -13.219 -12.448 -21.768) 28.347 7.877 ( -8.608 0.985 -1.507) 8.794 8.051 ( -3.147 3.186 -1.227) 4.643 8.530 ( 3.611 1.137 -5.198) 6.430 8.661 ( -6.773 -4.803 -13.272) 15.655 8.825 ( 5.913 0.592 -9.090) 10.861 9.024 ( -6.074 -0.777 -4.007) 7.318 9.523 ( -10.052 -0.203 -20.750) 23.058 10.279 ( 6.731 -3.688 -1.788) 7.880 10.572 ( -7.222 0.979 -11.035) 13.225 10.823 ( 3.188 -0.411 -2.194) 3.891 10.922 ( -5.713 4.300 3.858) 8.125 11.197 ( 9.788 -1.924 -0.820) 10.009 11.478 ( -13.236 -0.693 -6.395) 14.716 11.956 ( 9.110 -1.956 2.423) 9.628 12.083 ( 6.089 0.811 2.839) 6.767 12.323 ( 0.426 -1.731 -1.358) 2.241 12.654 ( -7.133 0.548 -3.595) 8.007 12.787 ( 6.286 -4.060 3.882) 8.430 13.162 ( -8.574 -7.766 2.967) 11.943 13.454 ( 2.472 4.928 0.203) 5.517 13.619 ( -5.103 8.621 0.277) 10.022 14.086 ( 2.940 1.205 11.183) 11.626 14.395 ( -8.059 -1.013 2.262) 8.432 14.816 ( 6.525 -1.778 15.945) 17.320 14.994 ( -4.606 -1.507 -1.945) 5.222 15.677 ( -8.664 -1.268 -4.566) 9.875 15.963 ( -4.857 -1.603 -2.496) 5.691 16.165 ( 2.901 -5.326 -9.412) 11.196 16.256 ( -0.973 -0.878 -6.967) 7.089 16.839 ( -0.769 -6.547 2.751) 7.143 17.118 ( -0.546 5.760 -0.599) 5.817 17.427 ( 0.777 6.188 -4.668) 7.790 17.524 ( 0.764 8.482 -6.252) 10.565 18.026 ( -6.329 0.669 -6.281) 8.942 18.127 ( 5.321 1.248 -1.946) 5.801 18.351 ( -1.627 5.869 0.009) 6.091 18.503 ( 19.663 -4.437 1.884) 20.245 18.783 ( 6.645 -1.735 12.075) 13.891 19.221 ( 8.130 -2.217 15.409) 17.562 19.339 ( -3.741 -4.057 1.442) 5.704 19.543 ( -1.278 1.861 9.339) 9.608 19.867 ( 0.299 -7.448 -2.909) 8.002 20.185 ( -2.476 5.598 -1.880) 6.404 21.642 ( 0.596 -1.159 0.909) 1.589 21.670 ( -0.091 0.498 1.246) 1.345 21.804 ( -0.206 -2.310 0.523) 2.377 22.003 ( -6.717 2.542 -4.636) 8.548 27.749 ( 1.102 0.052 -0.784) 1.353 27.787 ( 0.090 1.758 0.218) 1.774 27.864 ( -0.367 0.109 -0.155) 0.413 27.986 ( -0.492 -1.013 -0.338) 1.176 35.598 ( 6.310 1.805 3.722) 7.545 36.172 ( -7.626 -5.231 -2.691) 9.631 36.723 ( -0.486 0.898 10.211) 10.262 36.897 ( 10.535 9.779 -6.215) 15.660 38.724 ( 0.515 -0.823 -6.402) 6.475 38.809 ( -0.827 5.084 -7.817) 9.361 40.346 ( 11.496 -7.763 11.053) 17.737 40.403 ( 7.292 -2.691 7.834) 11.036 ======================= Grid point 204 (102/150) ======================= q-point: ( 0.12 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -7.939 -0.000 -3.056) 8.507 1.069 ( 8.415 0.000 0.324) 8.421 1.405 ( 0.073 0.000 0.568) 0.572 1.485 ( 2.929 0.000 -1.795) 3.435 1.769 ( -6.967 -0.000 4.178) 8.124 1.910 ( -0.223 -0.000 6.272) 6.276 2.180 ( -18.777 -0.000 -5.299) 19.511 2.622 ( 0.599 0.000 -3.884) 3.930 2.943 ( 10.571 0.000 10.737) 15.067 3.001 ( 11.436 0.000 2.472) 11.700 3.844 ( -1.834 -0.000 -5.550) 5.845 4.149 ( 9.716 0.000 0.713) 9.742 4.692 ( -9.806 -0.000 -13.093) 16.358 4.880 ( -15.496 -0.000 -4.982) 16.277 5.058 ( 11.371 0.000 26.062) 28.435 5.137 ( -10.930 -0.000 -38.129) 39.664 5.483 ( -1.868 -0.000 -1.752) 2.561 5.548 ( 5.608 0.000 5.554) 7.893 5.763 ( 6.099 0.000 2.524) 6.600 6.063 ( 5.690 0.000 -2.926) 6.398 6.493 ( -16.509 -0.000 -28.757) 33.159 6.554 ( -0.712 -0.000 3.855) 3.920 7.155 ( 11.316 0.000 13.933) 17.950 7.358 ( 4.202 0.000 -10.037) 10.881 7.412 ( -5.710 -0.000 -11.718) 13.035 7.748 ( -7.019 -0.000 2.760) 7.542 7.941 ( -0.728 -0.000 7.641) 7.676 8.030 ( 17.533 0.000 32.553) 36.974 8.625 ( -4.676 -0.000 6.158) 7.732 8.761 ( 1.212 0.000 19.818) 19.855 8.792 ( 0.456 0.000 -15.186) 15.193 9.019 ( 5.276 0.000 -3.504) 6.334 10.184 ( -6.566 -0.000 -0.469) 6.583 10.384 ( 0.370 0.000 -0.477) 0.604 10.684 ( -4.917 -0.000 4.377) 6.583 11.060 ( -9.525 -0.000 1.536) 9.648 11.100 ( 10.406 0.000 -1.173) 10.471 11.498 ( 9.477 0.000 0.947) 9.524 11.992 ( -5.166 -0.000 -3.988) 6.526 12.156 ( 0.625 0.000 -4.676) 4.718 12.298 ( -3.451 -0.000 -0.693) 3.520 12.580 ( 8.695 0.000 6.027) 10.580 12.718 ( -16.674 -0.000 0.996) 16.703 13.300 ( 6.686 0.000 3.175) 7.402 13.501 ( 4.139 0.000 -0.500) 4.169 13.626 ( 7.732 0.000 0.222) 7.735 14.302 ( -2.252 -0.000 -0.903) 2.426 14.394 ( 2.441 0.000 5.425) 5.949 15.051 ( -6.004 -0.000 -7.007) 9.228 15.214 ( 0.616 0.000 -3.457) 3.511 15.653 ( 0.129 0.000 -1.401) 1.407 15.779 ( 5.203 0.000 17.262) 18.029 15.939 ( -3.069 -0.000 -1.319) 3.341 16.129 ( 3.380 0.000 -0.686) 3.449 17.077 ( -5.574 -0.000 -10.473) 11.864 17.133 ( -1.644 -0.000 6.636) 6.837 17.200 ( -1.584 -0.000 -4.466) 4.739 17.249 ( 0.776 0.000 5.537) 5.592 17.828 ( -2.773 -0.000 6.936) 7.470 18.045 ( 5.945 0.000 -4.610) 7.523 18.317 ( -9.156 -0.000 3.543) 9.818 18.571 ( -1.487 -0.000 -10.754) 10.857 19.012 ( -9.035 -0.000 -7.136) 11.513 19.359 ( 7.173 0.000 6.554) 9.716 19.570 ( -9.751 -0.000 -3.551) 10.378 19.777 ( 0.154 0.000 -3.907) 3.910 19.963 ( 5.903 0.000 -4.534) 7.443 20.055 ( 9.897 0.000 4.926) 11.055 21.635 ( -2.119 -0.000 0.514) 2.181 21.735 ( 1.502 0.000 -1.429) 2.073 21.791 ( -2.292 -0.000 1.158) 2.568 21.878 ( 1.654 0.000 4.240) 4.551 27.722 ( -1.043 -0.000 -0.332) 1.094 27.790 ( 1.347 0.000 -0.143) 1.355 27.907 ( -1.057 -0.000 -2.476) 2.692 27.950 ( 0.960 0.000 2.345) 2.534 35.688 ( -8.892 -0.000 -6.724) 11.148 36.035 ( 6.475 0.000 11.243) 12.974 36.679 ( -9.692 -0.000 -2.668) 10.053 37.016 ( 4.474 0.000 -5.537) 7.119 38.569 ( -2.304 -0.000 0.324) 2.327 38.681 ( 2.251 0.000 -0.907) 2.427 40.460 ( -4.232 -0.000 -1.241) 4.411 40.784 ( 5.950 0.000 -8.847) 10.661 ======================= Grid point 205 (103/150) ======================= q-point: ( 0.25 0.12 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -7.073 1.429 -3.679) 8.099 1.144 ( 6.417 0.846 -0.424) 6.486 1.402 ( -0.454 0.830 -0.969) 1.354 1.491 ( 2.177 -1.598 -3.906) 4.749 1.729 ( -8.809 -0.804 4.196) 9.790 1.962 ( -7.952 0.600 -0.902) 8.025 1.973 ( -4.056 -0.353 4.149) 5.813 2.625 ( 5.376 -0.465 -3.705) 6.545 3.101 ( 3.753 1.208 2.779) 4.824 3.178 ( 9.708 -1.576 9.568) 13.721 3.707 ( 1.320 4.704 -10.421) 11.509 4.135 ( -10.472 -1.226 -10.998) 15.236 4.359 ( -6.604 15.326 -24.114) 29.326 4.637 ( -9.807 3.679 -6.602) 12.381 4.845 ( 0.531 -12.964 -17.175) 21.525 5.315 ( 6.267 4.487 14.702) 16.600 5.383 ( -2.033 8.903 -2.226) 9.399 5.753 ( 4.949 -0.605 -3.090) 5.866 5.846 ( -6.345 -8.937 -17.170) 20.370 6.000 ( 6.136 -6.666 1.188) 9.138 6.140 ( 4.551 -1.891 -2.390) 5.477 6.613 ( -0.128 -5.710 -2.856) 6.386 7.233 ( 1.579 3.865 -2.647) 4.943 7.258 ( -2.540 2.313 -7.845) 8.564 7.530 ( 9.256 5.100 16.986) 20.005 7.753 ( -3.504 -2.167 4.035) 5.767 8.054 ( -4.447 -6.942 10.966) 13.720 8.309 ( -3.980 -1.369 15.541) 16.101 8.529 ( -7.894 7.125 1.012) 10.682 8.630 ( 0.783 0.052 -14.114) 14.136 9.052 ( 1.360 -2.597 -0.651) 3.003 9.207 ( 17.287 -2.680 31.350) 35.901 10.118 ( -4.340 0.314 0.758) 4.417 10.445 ( 3.174 -2.383 6.555) 7.663 10.697 ( -1.416 0.272 4.969) 5.174 10.954 ( -8.137 2.429 1.758) 8.672 11.199 ( 7.540 -2.963 -3.538) 8.840 11.620 ( 9.961 2.019 5.026) 11.338 11.897 ( -3.520 1.051 -4.327) 5.676 12.108 ( -0.995 -2.034 -6.852) 7.217 12.275 ( -1.660 0.628 1.327) 2.216 12.575 ( -10.345 0.446 2.643) 10.687 12.735 ( 7.039 -0.436 5.350) 8.852 13.363 ( 5.519 1.663 0.113) 5.765 13.455 ( 3.785 7.815 -0.846) 8.724 13.767 ( 4.830 -6.816 -2.301) 8.665 14.222 ( -3.089 1.659 -4.891) 6.018 14.482 ( -0.464 -0.860 3.026) 3.180 14.935 ( -4.206 5.509 2.087) 7.238 15.070 ( -5.519 -3.697 -17.206) 18.443 15.704 ( 1.335 5.752 4.437) 7.387 15.906 ( 4.100 1.471 5.107) 6.712 15.979 ( 1.690 -3.380 9.626) 10.341 16.173 ( 7.293 5.668 6.563) 11.331 16.913 ( -4.514 -0.129 -7.275) 8.563 17.145 ( -1.732 -1.631 -3.734) 4.428 17.227 ( -3.992 -4.189 7.000) 9.082 17.348 ( -1.424 -8.238 5.029) 9.757 17.854 ( -3.964 0.443 5.002) 6.398 18.166 ( 6.777 -6.762 0.823) 9.609 18.223 ( -8.411 -0.066 -0.206) 8.414 18.459 ( -3.108 -1.969 -7.921) 8.734 18.838 ( -7.884 0.944 -7.658) 11.031 19.329 ( -10.854 2.332 -9.992) 14.936 19.472 ( 6.622 4.056 1.372) 7.886 19.779 ( 1.737 -3.502 -4.254) 5.777 19.873 ( 6.216 15.337 -1.832) 16.650 20.245 ( 6.304 -6.263 1.522) 9.016 21.617 ( -1.395 0.332 0.399) 1.488 21.715 ( 0.368 1.649 -1.043) 1.986 21.786 ( -1.722 -0.418 0.156) 1.779 21.960 ( 1.630 -1.755 5.845) 6.317 27.719 ( -0.409 -0.745 0.294) 0.899 27.803 ( 0.293 -1.183 -0.651) 1.381 27.878 ( -0.159 0.121 -1.279) 1.294 27.972 ( 0.454 0.810 1.647) 1.891 35.564 ( -5.966 -2.436 -4.658) 7.951 36.202 ( 6.748 3.674 10.960) 13.385 36.521 ( -13.705 -1.056 -2.667) 14.002 37.038 ( 3.787 -7.213 -8.162) 11.533 38.570 ( -1.890 -0.547 3.176) 3.736 38.729 ( 1.645 -3.406 1.940) 4.251 40.342 ( -2.471 5.539 -7.703) 9.804 40.695 ( 3.156 5.649 -10.827) 12.613 ======================= Grid point 206 (104/150) ======================= q-point: ( 0.38 0.12 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( -5.245 3.242 -4.100) 7.405 1.177 ( 3.870 1.086 -1.241) 4.207 1.350 ( -3.151 0.060 -2.618) 4.097 1.508 ( 3.060 -2.190 -4.398) 5.788 1.698 ( -7.582 -2.123 4.746) 9.193 1.871 ( -2.164 -0.573 -2.040) 3.028 2.018 ( -3.430 0.575 7.346) 8.128 2.629 ( 9.119 6.598 -5.795) 12.660 3.079 ( -4.779 0.294 -0.801) 4.855 3.378 ( 8.545 0.801 7.474) 11.381 3.645 ( 8.779 3.775 -3.081) 10.040 3.778 ( -11.709 13.341 -21.253) 27.691 3.840 ( -15.214 -0.284 -14.302) 20.883 4.501 ( 0.040 6.360 -6.968) 9.434 4.863 ( -0.179 -3.342 -9.178) 9.769 5.178 ( 0.120 11.011 -3.688) 11.613 5.459 ( 6.274 8.534 8.111) 13.341 5.646 ( 4.247 -23.922 -17.365) 29.864 5.868 ( 0.729 0.835 -6.282) 6.379 6.163 ( 10.214 -5.122 7.271) 13.544 6.506 ( 9.676 -8.681 13.334) 18.622 6.661 ( -0.404 -10.457 -2.571) 10.776 7.110 ( -1.366 3.723 -8.380) 9.271 7.173 ( -5.800 2.258 -0.845) 6.281 7.452 ( -14.464 4.821 -2.742) 15.491 7.840 ( 7.424 6.031 11.555) 15.000 8.008 ( -11.091 11.854 2.935) 16.496 8.340 ( -4.904 6.438 6.704) 10.510 8.589 ( 3.625 -6.632 -2.429) 7.939 8.630 ( 3.975 -9.347 16.292) 19.198 9.081 ( -2.125 -5.265 -3.831) 6.849 9.606 ( 6.638 -2.772 13.633) 15.415 10.095 ( -2.349 -0.811 0.550) 2.545 10.613 ( 1.964 -5.325 8.821) 10.489 10.739 ( 2.252 1.472 4.350) 5.115 10.884 ( -6.087 0.294 4.714) 7.705 11.269 ( 5.507 -3.206 -5.312) 8.296 11.732 ( 5.976 3.891 4.937) 8.674 11.821 ( 0.699 0.787 -2.681) 2.880 12.047 ( -0.446 -0.760 -8.444) 8.490 12.259 ( -1.237 1.118 1.003) 1.946 12.521 ( -6.381 -1.112 3.492) 7.358 12.838 ( 4.332 1.294 3.043) 5.450 13.358 ( 9.327 10.070 -3.105) 14.073 13.438 ( -0.356 -3.331 1.539) 3.686 13.853 ( 2.725 -4.368 -1.626) 5.399 14.159 ( -0.055 -3.135 -4.020) 5.098 14.374 ( -7.883 5.019 -5.349) 10.768 14.804 ( -6.806 8.722 0.292) 11.067 15.020 ( 2.996 -5.394 -4.191) 7.459 15.510 ( -4.098 17.665 -3.264) 18.425 16.045 ( 3.172 -3.512 5.988) 7.632 16.114 ( 1.995 -4.544 4.339) 6.592 16.327 ( 10.341 1.365 13.223) 16.842 16.878 ( -1.840 -6.992 -4.521) 8.527 17.088 ( -1.082 5.977 1.465) 6.248 17.297 ( -7.275 -5.656 6.643) 11.359 17.485 ( -5.661 -12.016 -0.964) 13.317 17.828 ( -5.084 0.209 2.073) 5.494 18.124 ( -3.420 -0.648 -0.134) 3.484 18.359 ( 4.748 -5.665 -1.609) 7.564 18.462 ( 1.560 -7.470 2.751) 8.112 18.692 ( -3.810 2.143 -4.230) 6.083 19.089 ( -8.330 0.452 -12.424) 14.965 19.454 ( 4.024 6.797 -2.137) 8.183 19.675 ( 4.148 19.348 -2.278) 19.919 19.816 ( 3.223 -3.066 -3.557) 5.696 20.365 ( 2.952 -3.457 -0.135) 4.548 21.607 ( -0.713 0.195 0.453) 0.867 21.688 ( -0.122 1.285 -0.571) 1.411 21.765 ( -1.375 0.603 -0.369) 1.546 22.055 ( 0.090 -2.375 5.463) 5.958 27.734 ( -0.160 -1.135 0.464) 1.237 27.816 ( -0.189 -2.206 -1.161) 2.500 27.879 ( 0.492 -0.234 0.687) 0.877 27.970 ( -0.077 1.516 0.699) 1.671 35.544 ( -2.206 -5.931 -1.843) 6.591 36.175 ( -0.906 11.002 -3.254) 11.509 36.500 ( -8.918 -7.596 12.735) 17.304 37.126 ( 5.986 -10.712 -9.995) 15.827 38.609 ( -0.656 -1.009 6.140) 6.257 38.831 ( 0.223 -5.573 3.893) 6.802 40.129 ( 1.034 9.449 -12.622) 15.801 40.514 ( 1.681 8.214 -11.582) 14.298 ======================= Grid point 207 (105/150) ======================= q-point: (-0.50 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 2.134 0.788 -0.051) 2.276 1.178 ( 1.630 1.018 -1.874) 2.684 1.315 ( -2.382 -2.057 -0.952) 3.288 1.508 ( 2.532 1.292 -3.611) 4.595 1.724 ( -4.100 -3.400 4.967) 7.283 1.882 ( 1.247 -3.632 -0.571) 3.882 2.010 ( -5.981 3.204 7.284) 9.954 2.516 ( 12.293 14.694 -9.242) 21.270 3.023 ( -7.022 -2.661 -1.082) 7.587 3.359 ( -3.998 8.408 -1.222) 9.390 3.461 ( 4.616 6.205 -7.630) 10.864 3.676 ( 2.560 4.682 11.345) 12.537 3.784 ( 5.326 -10.582 -6.271) 13.404 4.354 ( 2.730 7.416 -3.284) 8.558 4.774 ( 1.319 4.646 -2.260) 5.332 5.087 ( 5.248 6.395 0.674) 8.300 5.445 ( -1.019 1.097 -0.280) 1.523 5.690 ( 0.359 2.385 -8.562) 8.895 6.053 ( 4.663 -12.067 0.661) 12.953 6.381 ( 4.230 -1.346 6.978) 8.270 6.486 ( -3.797 2.717 -3.416) 5.785 6.892 ( -16.181 4.925 2.065) 17.040 6.973 ( 5.041 -6.857 3.416) 9.171 7.095 ( 7.934 -6.268 -4.106) 10.913 7.282 ( -5.788 5.976 -0.150) 8.321 7.833 ( -1.404 -2.308 0.880) 2.841 7.951 ( -0.141 -2.158 4.022) 4.566 8.225 ( -2.305 10.920 2.400) 11.416 8.663 ( -2.400 -5.992 -1.143) 6.555 8.955 ( 8.014 -1.281 9.867) 12.776 9.083 ( -2.451 -7.196 -4.899) 9.044 9.714 ( -4.743 -4.349 0.317) 6.443 10.095 ( -0.772 -1.239 0.179) 1.471 10.733 ( -1.664 -0.626 0.539) 1.858 10.771 ( -3.146 -5.218 4.951) 7.851 10.931 ( 0.979 0.119 8.404) 8.462 11.279 ( 0.753 -1.536 -7.006) 7.212 11.713 ( 1.685 2.390 -1.876) 3.474 11.832 ( -3.923 -0.800 -3.454) 5.288 11.985 ( 8.037 5.001 -0.645) 9.487 12.246 ( -0.726 -0.251 -0.156) 0.784 12.526 ( -3.618 -1.503 4.463) 5.939 12.848 ( -0.300 2.116 0.296) 2.158 13.246 ( 5.031 10.704 -7.251) 13.873 13.517 ( -1.184 -4.967 2.306) 5.602 13.928 ( 1.662 -1.594 2.318) 3.267 14.206 ( -2.947 2.979 2.081) 4.678 14.266 ( 5.778 -11.147 -3.214) 12.960 14.599 ( -3.713 12.220 -1.794) 12.897 15.082 ( 2.083 -4.871 -4.183) 6.750 15.202 ( -2.877 16.899 -0.180) 17.143 16.132 ( -3.357 -4.437 0.597) 5.596 16.231 ( 1.417 -2.326 4.038) 4.871 16.504 ( 3.324 0.454 5.069) 6.079 16.902 ( -2.629 -9.082 -7.976) 12.370 17.014 ( 0.292 9.876 5.850) 11.482 17.377 ( -5.464 -5.882 11.129) 13.722 17.510 ( -6.012 -10.110 -7.571) 13.989 17.835 ( 0.033 -1.683 3.970) 4.312 18.155 ( -1.552 -3.605 3.446) 5.223 18.450 ( 3.923 -4.591 -0.054) 6.039 18.627 ( 0.693 3.246 1.156) 3.515 18.642 ( 6.789 -1.149 4.228) 8.080 18.941 ( -4.246 -6.946 -8.624) 11.860 19.347 ( 3.527 13.517 -1.722) 14.076 19.441 ( 1.790 13.865 -3.098) 14.319 19.842 ( 1.511 -1.600 -3.415) 4.063 20.402 ( -0.281 -0.955 -0.923) 1.358 21.605 ( -0.317 -0.038 0.451) 0.553 21.669 ( -0.513 0.567 -0.187) 0.787 21.742 ( -0.597 0.741 0.049) 0.953 22.119 ( -1.879 -2.204 2.890) 4.092 27.750 ( -0.278 -1.116 0.021) 1.151 27.835 ( 0.020 -2.058 -0.756) 2.192 27.901 ( 0.305 -0.636 1.354) 1.527 27.945 ( -0.716 1.895 -0.236) 2.040 35.624 ( 0.386 -8.023 0.005) 8.033 35.966 ( -4.614 7.486 -4.573) 9.912 36.655 ( -5.976 -3.520 17.224) 18.568 37.222 ( 7.909 -7.762 -12.307) 16.561 38.707 ( 1.515 -2.471 7.361) 7.911 38.940 ( -0.423 -4.985 3.896) 6.341 39.906 ( 4.635 9.444 -11.536) 15.612 40.319 ( 1.244 6.340 -10.063) 11.958 ======================= Grid point 208 (106/150) ======================= q-point: (-0.38 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 8.571 -1.417 4.774) 9.913 1.145 ( -0.868 1.662 -2.404) 3.048 1.325 ( -1.484 -1.595 2.102) 3.027 1.460 ( 1.099 5.192 -0.596) 5.341 1.764 ( -2.198 -0.846 4.164) 4.784 1.883 ( -3.471 4.713 4.725) 7.522 2.082 ( 1.805 -8.721 3.719) 9.651 2.430 ( 14.778 6.534 -5.101) 16.944 2.958 ( -9.010 -2.536 -1.682) 9.510 3.304 ( 1.860 9.403 16.390) 18.987 3.334 ( -3.496 4.086 -7.809) 9.482 3.874 ( 12.009 9.770 19.475) 24.879 3.930 ( 13.938 -15.400 -11.916) 23.946 4.353 ( 8.535 7.102 10.869) 15.537 4.801 ( 7.739 0.643 5.806) 9.696 5.104 ( 7.188 6.386 5.067) 10.868 5.385 ( -4.043 -0.289 -4.343) 5.941 5.607 ( -3.157 7.186 4.259) 8.930 5.848 ( -13.957 12.422 0.035) 18.684 6.335 ( -10.293 6.214 -8.294) 14.606 6.544 ( 0.119 -1.050 0.969) 1.434 6.799 ( 0.187 -4.451 1.199) 4.613 6.968 ( -8.257 7.960 0.375) 11.475 7.298 ( 6.037 -14.656 8.538) 18.004 7.365 ( 16.306 -5.226 1.400) 17.180 7.919 ( -6.364 -0.143 -11.969) 13.557 8.014 ( 8.471 -11.370 -1.699) 14.280 8.085 ( -2.922 4.848 4.898) 7.485 8.666 ( -7.025 -4.827 -1.859) 8.723 9.003 ( 4.176 -1.177 -10.700) 11.546 9.076 ( -6.138 -0.645 -3.123) 6.916 9.681 ( -8.074 -4.352 -4.553) 10.240 10.119 ( 1.190 -1.978 0.133) 2.312 10.675 ( -6.688 -1.259 -3.189) 7.515 10.862 ( 0.787 -2.571 2.322) 3.552 11.007 ( -1.133 -0.732 6.046) 6.194 11.196 ( -1.734 1.627 -6.746) 7.152 11.667 ( -8.973 0.568 -9.856) 13.341 11.736 ( 4.422 -0.668 1.536) 4.728 12.061 ( 9.364 4.729 5.265) 11.738 12.247 ( -0.510 -2.170 -1.711) 2.810 12.567 ( -0.778 -1.581 4.819) 5.132 12.798 ( -3.417 1.363 -1.970) 4.173 13.079 ( -1.418 5.134 -6.534) 8.429 13.572 ( -0.597 -1.801 2.166) 2.880 13.933 ( -1.656 3.164 1.193) 3.765 14.208 ( 1.169 3.050 5.422) 6.330 14.381 ( 2.227 13.479 -0.050) 13.662 14.544 ( 5.392 -17.429 -0.037) 18.244 15.006 ( 0.018 12.686 6.852) 14.418 15.192 ( 4.299 -11.531 -3.106) 12.693 16.100 ( -8.760 -4.145 -4.667) 10.756 16.211 ( -6.516 2.705 -5.117) 8.715 16.457 ( -2.447 3.586 -5.060) 6.667 16.909 ( -5.034 0.394 -3.666) 6.240 16.987 ( 3.748 -0.213 6.918) 7.871 17.509 ( -3.416 -8.300 -7.816) 11.901 17.582 ( 2.691 -7.669 13.782) 16.000 17.941 ( 5.302 -2.024 5.993) 8.254 18.205 ( -1.693 -0.699 3.878) 4.289 18.544 ( 8.002 6.972 -1.273) 10.689 18.575 ( 0.080 1.388 -1.220) 1.850 18.692 ( 5.823 4.660 2.124) 7.755 19.029 ( -0.462 -8.231 1.300) 8.346 19.190 ( 5.189 9.412 1.889) 10.913 19.345 ( 0.611 2.467 1.813) 3.122 19.823 ( -0.408 -0.179 -3.639) 3.666 20.373 ( -2.959 0.803 -1.302) 3.331 21.608 ( -0.018 -0.208 0.288) 0.356 21.659 ( -0.899 -0.246 0.113) 0.939 21.741 ( 0.327 0.092 1.308) 1.351 22.122 ( -3.755 -1.191 -0.834) 4.027 27.756 ( -0.162 -0.527 -0.405) 0.684 27.851 ( 0.327 -0.652 -0.306) 0.791 27.902 ( -1.514 1.568 -1.056) 2.422 27.926 ( -0.060 -1.007 1.023) 1.437 35.697 ( 0.635 0.464 -1.456) 1.655 35.868 ( -2.377 -5.369 -0.203) 5.875 36.768 ( -6.199 2.032 17.011) 18.219 37.238 ( 8.541 0.010 -13.505) 15.979 38.791 ( 2.042 -0.106 -0.340) 2.073 39.023 ( 1.439 -0.952 1.702) 2.424 39.820 ( 7.350 0.970 -0.841) 7.461 40.217 ( 1.605 -0.350 -4.506) 4.796 ======================= Grid point 209 (107/150) ======================= q-point: (-0.25 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 9.916 -2.288 5.202) 11.429 1.067 ( -3.714 2.274 -2.960) 5.265 1.364 ( -0.828 -1.762 3.041) 3.611 1.413 ( 1.889 5.048 3.218) 6.277 1.789 ( -1.360 0.068 4.222) 4.436 1.857 ( -5.115 2.958 8.960) 10.733 2.200 ( 8.082 -0.765 -0.671) 8.146 2.592 ( 13.597 -3.607 3.812) 14.575 2.878 ( -13.896 -7.350 -2.450) 15.910 3.135 ( -7.818 3.923 -7.872) 11.768 3.395 ( 4.630 6.234 13.107) 15.234 4.010 ( 13.590 2.565 7.320) 15.648 4.218 ( 8.651 7.526 16.299) 19.928 4.545 ( 13.652 -0.767 13.743) 19.387 4.978 ( 11.859 3.469 9.868) 15.813 5.204 ( 11.491 0.425 10.722) 15.722 5.267 ( -6.524 -5.503 -15.439) 17.641 5.563 ( 3.532 9.219 23.175) 25.190 5.756 ( -1.018 0.769 5.411) 5.559 5.985 ( -14.405 9.047 -7.130) 18.444 6.465 ( -8.663 1.907 -12.355) 15.209 6.701 ( -3.061 5.777 1.305) 6.666 6.968 ( 2.511 4.474 11.632) 12.713 7.465 ( -0.125 -6.202 -6.813) 9.214 7.567 ( -6.381 1.002 -19.885) 20.908 7.832 ( 15.894 -8.830 4.640) 18.765 8.009 ( -4.503 4.010 9.175) 10.979 8.304 ( 4.974 -15.990 -3.702) 17.150 8.598 ( -7.019 -1.413 -4.730) 8.581 8.850 ( -9.021 -1.203 -12.911) 15.796 9.008 ( -0.807 -0.251 -5.586) 5.649 9.521 ( -10.431 0.269 -15.038) 18.304 10.175 ( 3.487 -3.170 -0.802) 4.780 10.560 ( -9.115 -1.229 -6.637) 11.342 10.874 ( 2.429 2.022 -3.517) 4.729 11.017 ( -6.620 1.746 4.893) 8.415 11.149 ( 5.936 -0.472 -2.632) 6.510 11.463 ( -10.067 0.204 -8.310) 13.056 11.869 ( 8.075 -3.821 3.793) 9.705 12.134 ( 5.906 3.253 3.301) 7.508 12.254 ( -0.875 -3.047 -1.999) 3.748 12.633 ( -0.490 -1.965 -0.396) 2.063 12.709 ( -3.318 0.112 -0.087) 3.321 12.997 ( -4.033 -2.788 -1.605) 5.159 13.592 ( 1.873 3.000 1.997) 4.061 13.841 ( -2.962 6.618 -1.426) 7.390 14.183 ( 1.740 6.099 5.289) 8.258 14.372 ( -0.537 0.991 6.934) 7.025 14.715 ( -3.922 -8.465 0.469) 9.342 15.030 ( 10.434 7.478 13.629) 18.723 15.432 ( 5.942 -15.165 -0.085) 16.288 15.945 ( -15.441 -1.583 -11.608) 19.383 16.024 ( -5.161 -1.711 -6.031) 8.120 16.302 ( -2.438 4.206 -11.691) 12.662 16.836 ( -3.357 1.716 3.960) 5.468 17.105 ( 3.582 -0.493 5.942) 6.955 17.482 ( -3.040 -4.722 -9.077) 10.674 17.761 ( 1.537 3.670 3.583) 5.354 18.096 ( -2.018 -2.574 5.982) 6.818 18.246 ( 13.900 4.831 2.237) 14.884 18.416 ( 5.432 7.536 -4.034) 10.127 18.532 ( -1.194 5.731 -2.925) 6.544 18.753 ( 5.331 1.175 9.026) 10.548 19.140 ( 3.263 -3.293 7.502) 8.818 19.236 ( -0.668 -3.911 -0.374) 3.985 19.438 ( 3.836 -6.180 5.379) 9.047 19.790 ( 0.656 0.732 -0.694) 1.203 20.295 ( -4.581 2.176 -2.174) 5.518 21.618 ( 0.369 -0.593 0.403) 0.806 21.658 ( -1.097 -0.996 0.200) 1.494 21.768 ( 0.699 -0.240 2.506) 2.613 22.055 ( -5.017 0.811 -3.374) 6.100 27.757 ( 0.768 0.153 -0.221) 0.814 27.846 ( -0.475 2.344 -0.421) 2.428 27.861 ( -0.815 -0.512 -0.674) 1.175 27.946 ( -0.537 -1.538 0.047) 1.630 35.671 ( 3.131 2.891 1.190) 4.425 35.962 ( -3.011 -9.583 -1.068) 10.101 36.805 ( -5.957 4.477 13.666) 15.566 37.158 ( 9.192 7.110 -11.026) 16.019 38.762 ( 2.627 2.841 -4.705) 6.092 38.967 ( -0.419 6.181 -6.132) 8.716 40.049 ( 9.959 -12.097 8.697) 17.921 40.272 ( 2.502 -6.232 1.087) 6.803 ======================= Grid point 210 (108/150) ======================= q-point: (-0.12 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 8.515 -2.245 3.693) 9.549 0.953 ( -5.345 2.315 -3.405) 6.747 1.390 ( -0.592 0.665 3.271) 3.390 1.434 ( 3.026 1.097 1.459) 3.534 1.817 ( -1.113 0.385 4.899) 5.039 1.837 ( -7.947 2.167 8.194) 11.619 2.358 ( 14.171 -2.057 5.281) 15.262 2.671 ( -4.033 3.027 -4.436) 6.716 2.819 ( -5.008 -2.157 -1.134) 5.569 2.959 ( -8.999 -0.410 -3.418) 9.635 3.560 ( 12.279 -0.817 14.172) 18.770 4.064 ( -7.466 2.968 -3.734) 8.860 4.353 ( 12.679 8.593 26.226) 30.371 4.880 ( 10.049 -3.690 14.563) 18.074 5.101 ( 2.288 2.623 -5.188) 6.247 5.251 ( 9.490 -7.753 0.564) 12.267 5.434 ( 7.984 -1.198 4.132) 9.069 5.647 ( -7.107 5.238 -4.197) 9.775 5.878 ( 0.342 1.112 9.100) 9.174 5.926 ( 16.996 -3.596 29.998) 34.665 6.146 ( -6.493 7.195 -14.574) 17.502 6.641 ( -4.613 -3.572 -9.872) 11.467 7.043 ( 4.136 6.856 13.186) 15.427 7.219 ( -10.233 -2.331 -10.802) 15.060 7.493 ( 5.547 1.146 -7.968) 9.776 7.910 ( -2.462 6.896 8.027) 10.864 8.113 ( -0.098 4.682 4.142) 6.252 8.331 ( -14.424 -3.166 -17.732) 23.076 8.548 ( 0.376 -2.449 0.981) 2.665 8.717 ( -5.019 -7.674 -4.963) 10.427 8.921 ( -1.741 1.378 -7.301) 7.632 9.213 ( -6.066 0.392 -21.909) 22.737 10.264 ( 5.684 -4.628 -1.896) 7.571 10.397 ( -8.289 -0.835 -8.359) 11.802 10.832 ( -4.108 2.093 2.315) 5.159 10.968 ( 2.240 3.382 -1.104) 4.204 11.220 ( -1.452 -3.944 -1.035) 4.329 11.313 ( -1.074 -0.129 -4.450) 4.579 12.042 ( 8.877 -3.002 1.989) 9.580 12.146 ( -0.047 1.100 -2.004) 2.287 12.299 ( 2.464 -2.640 2.615) 4.458 12.526 ( -6.872 0.274 -6.494) 9.459 12.828 ( 4.221 -6.346 6.283) 9.877 12.994 ( -5.495 -5.278 -1.212) 7.715 13.575 ( -0.161 6.087 3.090) 6.829 13.683 ( -1.443 8.779 -1.875) 9.092 14.228 ( 3.006 1.536 7.476) 8.203 14.354 ( -7.323 0.355 2.642) 7.793 14.870 ( 5.509 -4.393 11.818) 13.760 15.202 ( 9.979 4.531 13.428) 17.332 15.497 ( -9.846 -2.169 -8.247) 13.025 15.837 ( -4.519 -7.260 0.435) 8.563 15.992 ( -2.223 -5.911 -8.168) 10.325 16.104 ( -1.173 -3.519 -16.107) 16.528 16.885 ( 1.470 0.412 10.697) 10.806 17.181 ( 2.077 1.596 4.980) 5.626 17.388 ( -3.786 -0.403 -9.458) 10.196 17.594 ( -2.853 13.486 -6.844) 15.390 18.004 ( -5.629 8.764 0.805) 10.448 18.230 ( 7.329 9.269 -4.784) 12.748 18.405 ( -3.154 5.195 0.422) 6.092 18.588 ( 12.702 -7.439 -2.520) 14.934 18.957 ( 6.957 -2.811 13.812) 15.718 19.241 ( -4.549 -2.238 -1.132) 5.195 19.297 ( 0.006 -8.081 7.088) 10.749 19.619 ( 3.680 -10.665 -0.800) 11.310 19.828 ( 4.814 3.323 6.678) 8.878 20.178 ( -4.034 3.294 -4.673) 6.997 21.639 ( -0.145 -1.046 0.945) 1.417 21.667 ( -0.353 -1.603 0.015) 1.642 21.804 ( 0.633 0.195 3.006) 3.078 21.944 ( -4.637 2.564 -3.157) 6.168 27.766 ( 1.838 0.582 -0.059) 1.928 27.795 ( -1.700 1.626 -1.192) 2.637 27.873 ( 0.833 -0.284 1.383) 1.639 27.953 ( -0.954 -1.423 -1.145) 2.061 35.728 ( 5.900 0.654 4.803) 7.636 35.980 ( -6.813 -4.946 -4.940) 9.761 36.803 ( -6.071 2.350 8.557) 10.752 37.069 ( 10.077 8.385 -6.330) 14.557 38.706 ( 2.248 3.301 -3.703) 5.446 38.795 ( -1.711 5.997 -7.342) 9.633 40.348 ( -1.887 -9.630 6.861) 11.974 40.475 ( 12.915 -11.526 0.521) 17.319 ======================= Grid point 213 (109/150) ======================= q-point: ( 0.25 0.25 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -3.972 -0.000 -2.410) 4.646 1.198 ( 4.849 0.000 -2.561) 5.484 1.386 ( -7.645 -0.000 -6.517) 10.045 1.411 ( 1.252 0.000 -1.221) 1.749 1.682 ( -5.897 -0.000 4.731) 7.560 1.873 ( -3.324 -0.000 -1.124) 3.509 2.015 ( -1.633 -0.000 5.472) 5.710 2.701 ( 13.572 0.000 -1.721) 13.681 3.067 ( -7.681 -0.000 -6.848) 10.290 3.373 ( 9.236 0.000 9.296) 13.104 3.566 ( -3.086 -0.000 -14.929) 15.245 3.946 ( -14.867 -0.000 2.382) 15.057 4.386 ( 15.206 0.000 -32.527) 35.906 4.407 ( -2.015 -0.000 -15.815) 15.943 4.615 ( 2.780 0.000 -4.569) 5.348 5.280 ( -6.665 -0.000 -19.150) 20.277 5.505 ( 5.189 0.000 1.642) 5.442 5.506 ( -0.999 -0.000 -5.280) 5.373 6.023 ( 7.572 0.000 9.284) 11.981 6.075 ( 6.588 0.000 15.654) 16.984 6.149 ( 15.784 0.000 -5.408) 16.684 6.518 ( 1.164 0.000 -4.947) 5.082 7.119 ( -9.752 -0.000 -5.791) 11.342 7.205 ( -0.531 -0.000 -9.512) 9.527 7.650 ( -10.725 -0.000 4.927) 11.803 7.903 ( -8.551 -0.000 6.407) 10.686 8.221 ( 15.411 0.000 35.584) 38.778 8.354 ( -10.329 -0.000 13.492) 16.992 8.492 ( 3.944 0.000 -12.721) 13.318 8.581 ( -4.903 -0.000 7.151) 8.671 8.962 ( -7.277 -0.000 -3.735) 8.179 9.566 ( 6.296 0.000 15.221) 16.471 10.084 ( -3.716 -0.000 1.762) 4.112 10.543 ( 3.251 0.000 7.297) 7.989 10.765 ( 1.877 0.000 5.926) 6.217 10.896 ( -7.460 -0.000 3.268) 8.145 11.206 ( 6.304 0.000 -6.179) 8.828 11.780 ( 5.343 0.000 5.035) 7.342 11.842 ( -1.274 -0.000 -3.674) 3.888 12.031 ( 3.282 0.000 -5.470) 6.379 12.280 ( -1.204 -0.000 1.663) 2.053 12.508 ( -8.068 -0.000 5.266) 9.634 12.839 ( 5.274 0.000 0.522) 5.300 13.374 ( 0.649 0.000 -2.058) 2.158 13.554 ( 5.343 0.000 -4.242) 6.822 13.767 ( 7.401 0.000 -0.538) 7.421 14.126 ( -2.475 -0.000 -8.249) 8.613 14.455 ( -9.643 -0.000 -3.440) 10.238 14.885 ( 4.123 0.000 -8.401) 9.358 15.005 ( -5.464 -0.000 12.420) 13.569 15.776 ( -3.387 -0.000 4.229) 5.418 15.979 ( -2.069 -0.000 2.813) 3.492 16.038 ( 8.512 0.000 2.646) 8.913 16.398 ( 8.724 0.000 10.987) 14.029 16.815 ( -8.081 -0.000 -2.734) 8.531 17.032 ( -1.321 -0.000 -4.808) 4.987 17.268 ( -1.234 -0.000 8.489) 8.578 17.278 ( -4.920 -0.000 -0.058) 4.921 17.874 ( -4.040 -0.000 3.610) 5.418 18.125 ( -5.817 -0.000 -1.207) 5.941 18.254 ( 8.914 0.000 6.546) 11.060 18.338 ( -3.016 -0.000 -5.127) 5.949 18.726 ( -2.756 -0.000 -3.972) 4.834 19.099 ( -10.312 -0.000 -13.795) 17.224 19.579 ( 5.828 0.000 -0.477) 5.848 19.741 ( 3.330 0.000 -4.473) 5.576 20.029 ( 4.311 0.000 -3.469) 5.533 20.238 ( 4.620 0.000 -1.966) 5.021 21.611 ( -1.007 -0.000 0.560) 1.152 21.709 ( 0.173 0.000 -2.238) 2.245 21.775 ( -1.843 -0.000 1.241) 2.222 22.018 ( 0.090 0.000 6.095) 6.095 27.719 ( -0.288 -0.000 1.060) 1.098 27.781 ( -0.151 -0.000 -1.779) 1.786 27.873 ( 0.186 0.000 0.056) 0.194 27.993 ( 0.059 0.000 0.767) 0.769 35.457 ( -3.609 -0.000 -2.387) 4.327 36.321 ( -13.388 -0.000 -7.158) 15.181 36.426 ( 5.804 0.000 15.085) 16.163 36.936 ( 3.882 0.000 -8.250) 9.118 38.609 ( -0.725 -0.000 7.508) 7.543 38.740 ( 0.771 0.000 2.695) 2.803 40.260 ( 0.129 0.000 -13.736) 13.737 40.632 ( 1.356 0.000 -14.020) 14.085 ======================= Grid point 214 (110/150) ======================= q-point: ( 0.38 0.25 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 0.265 3.647 -0.648) 3.713 1.183 ( 0.021 -0.409 -6.278) 6.291 1.255 ( -5.487 -1.274 -2.047) 5.994 1.441 ( 1.297 -3.919 -2.536) 4.845 1.682 ( -2.525 0.442 4.504) 5.182 1.853 ( 0.198 0.141 0.017) 0.243 2.038 ( -3.722 -0.337 4.330) 5.720 2.845 ( 14.918 5.541 1.954) 16.034 2.900 ( -5.352 -4.700 -11.477) 13.507 3.381 ( 0.945 0.245 -18.092) 18.118 3.522 ( 1.292 -2.444 0.215) 2.773 3.898 ( 0.233 14.464 2.182) 14.630 3.912 ( 7.431 15.261 -1.075) 17.008 4.564 ( 5.256 5.200 -5.097) 8.980 4.668 ( 10.221 -21.056 -13.341) 26.941 5.116 ( -0.728 -7.564 -13.294) 15.312 5.416 ( 7.475 8.553 -1.842) 11.508 5.659 ( 9.567 -3.686 -0.300) 10.257 5.954 ( 0.289 10.967 5.371) 12.215 6.311 ( 11.416 -6.803 3.982) 13.873 6.459 ( 1.528 -4.920 -1.592) 5.393 6.593 ( 8.782 -9.688 8.069) 15.366 6.988 ( -6.984 -6.653 -4.404) 10.603 7.081 ( -3.228 0.362 -10.636) 11.121 7.430 ( -16.436 15.330 3.441) 22.737 7.867 ( -12.612 -5.769 5.718) 15.002 8.208 ( -4.393 16.614 3.576) 17.553 8.492 ( -6.080 -4.342 7.068) 10.284 8.516 ( 1.966 8.489 3.458) 9.375 8.841 ( 10.630 -5.839 30.141) 32.489 8.892 ( -4.660 -7.092 -6.206) 10.513 9.611 ( -9.649 -2.394 -3.347) 10.489 10.077 ( -1.589 -0.215 2.196) 2.719 10.636 ( -1.096 -2.902 6.215) 6.946 10.751 ( -5.406 0.529 -1.146) 5.552 10.947 ( 1.136 0.733 9.551) 9.646 11.204 ( 2.884 -2.629 -8.416) 9.277 11.791 ( -2.914 -0.298 -3.195) 4.334 11.797 ( 0.152 1.296 -2.352) 2.689 12.087 ( 8.714 1.423 1.565) 8.968 12.278 ( 2.120 2.591 0.318) 3.363 12.509 ( -4.833 -0.103 8.518) 9.794 12.853 ( 0.587 -1.568 -5.382) 5.636 13.375 ( -0.629 -3.444 -0.477) 3.533 13.525 ( 6.386 7.327 -6.573) 11.733 13.861 ( 6.884 -1.394 0.955) 7.088 14.077 ( 2.935 -3.417 -4.973) 6.710 14.248 ( -10.565 -0.548 -8.630) 13.653 14.874 ( 1.474 8.399 3.177) 9.100 15.061 ( -4.277 0.512 10.187) 11.060 15.677 ( -1.946 13.980 -0.903) 14.144 15.999 ( -5.115 -4.273 1.998) 6.957 16.150 ( 4.590 -3.022 2.985) 6.253 16.568 ( 6.099 4.426 10.182) 12.667 16.702 ( -6.309 -4.686 -5.383) 9.525 17.069 ( -3.224 -11.339 -0.326) 11.793 17.232 ( -4.236 -2.105 0.077) 4.731 17.319 ( -1.930 1.617 4.158) 4.861 17.837 ( -2.380 1.675 1.565) 3.305 18.098 ( -1.123 -0.396 2.472) 2.744 18.335 ( 3.230 -4.288 1.030) 5.466 18.455 ( 5.079 -6.848 6.784) 10.895 18.707 ( 2.934 1.970 2.158) 4.141 18.886 ( -4.431 0.123 -11.688) 12.500 19.568 ( 4.085 6.504 -2.398) 8.046 19.764 ( 2.882 -3.902 -4.783) 6.813 19.905 ( 3.006 14.502 -5.634) 15.846 20.302 ( 1.638 -6.125 -4.055) 7.526 21.608 ( -0.649 0.155 0.767) 1.016 21.686 ( 0.012 0.492 -1.790) 1.856 21.763 ( -1.512 0.568 0.883) 1.841 22.068 ( -2.380 -1.247 4.559) 5.292 27.727 ( -0.606 -0.334 0.940) 1.167 27.776 ( 0.190 -1.703 -1.425) 2.228 27.883 ( 0.080 -0.594 0.701) 0.923 27.988 ( -0.362 0.971 -0.131) 1.045 35.447 ( -1.120 -3.990 -0.230) 4.151 36.097 ( -12.380 1.327 -7.725) 14.652 36.618 ( 4.135 1.879 17.115) 17.707 36.991 ( 7.621 -7.545 -4.860) 11.774 38.685 ( 0.771 0.890 8.905) 8.982 38.804 ( -0.278 -4.315 4.102) 5.960 40.095 ( 3.571 3.978 -17.544) 18.340 40.466 ( 0.241 3.537 -16.109) 16.495 ======================= Grid point 215 (111/150) ======================= q-point: ( 0.50 0.25 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 6.812 1.739 4.325) 8.254 1.152 ( 0.504 -2.301 -5.100) 5.618 1.233 ( -3.345 -3.623 0.250) 4.937 1.478 ( 1.890 -3.323 -3.875) 5.444 1.708 ( -2.201 -1.182 5.770) 6.288 1.874 ( 2.232 -1.075 1.133) 2.724 2.019 ( -6.749 0.640 3.596) 7.675 2.795 ( 7.940 5.643 -9.723) 13.763 2.842 ( -4.544 4.660 -4.176) 7.733 3.408 ( 20.141 -4.269 -2.707) 20.766 3.475 ( -5.176 4.714 -2.023) 7.287 3.706 ( 14.576 6.935 -6.348) 17.345 4.030 ( 5.997 2.972 11.091) 12.955 4.584 ( 9.990 7.363 13.418) 18.277 4.835 ( 7.443 -2.743 -1.912) 8.159 5.168 ( 4.303 -7.616 -6.746) 11.047 5.399 ( 7.592 5.437 -1.861) 9.521 5.690 ( 2.791 3.999 -4.452) 6.603 6.007 ( -0.217 -1.904 4.266) 4.677 6.313 ( -6.832 -1.931 -9.205) 11.625 6.542 ( 9.522 0.354 5.620) 11.063 6.850 ( -6.742 -6.687 1.195) 9.571 6.947 ( -1.972 0.576 -5.402) 5.779 7.023 ( -3.957 1.936 4.772) 6.494 7.240 ( 5.012 -10.643 0.558) 11.777 7.831 ( -11.629 0.081 2.212) 11.838 8.030 ( 1.304 11.095 5.838) 12.605 8.410 ( -1.537 13.011 5.095) 14.058 8.522 ( -10.556 -6.360 1.493) 12.414 8.886 ( -0.061 -5.964 -7.404) 9.507 9.105 ( -6.253 2.768 2.084) 7.149 9.510 ( -8.324 -8.284 0.123) 11.744 10.096 ( 0.553 0.105 2.640) 2.700 10.654 ( -7.764 -0.869 -2.504) 8.204 10.747 ( -0.666 -4.053 6.909) 8.038 11.002 ( -2.980 0.390 5.648) 6.397 11.177 ( 1.153 -2.469 -7.518) 7.997 11.682 ( -6.621 0.116 -7.993) 10.380 11.785 ( 3.721 3.452 1.558) 5.309 12.156 ( 2.952 -0.808 -0.499) 3.101 12.270 ( 6.972 6.704 1.470) 9.783 12.563 ( -1.569 0.779 10.035) 10.187 12.803 ( -2.539 -1.392 -6.085) 6.739 13.337 ( 1.441 12.434 -11.936) 17.296 13.450 ( -1.021 -6.686 2.510) 7.214 13.948 ( 2.009 -1.939 -0.275) 2.806 14.168 ( 4.750 -5.974 -3.219) 8.284 14.198 ( 2.782 -7.427 1.336) 8.043 14.748 ( -2.333 13.490 3.388) 14.103 15.079 ( -0.032 1.741 2.682) 3.198 15.423 ( -1.083 16.567 -0.292) 16.605 15.977 ( -10.515 -4.514 -2.281) 11.668 16.221 ( -4.800 -1.604 -1.555) 5.295 16.537 ( -1.928 2.365 -2.239) 3.785 16.777 ( 4.811 -5.641 0.822) 7.459 17.166 ( -1.159 5.450 0.400) 5.586 17.260 ( -5.889 -13.557 8.797) 17.201 17.327 ( 0.857 -2.036 3.240) 3.921 17.867 ( 1.552 -2.699 4.649) 5.595 18.140 ( -0.271 -2.235 3.553) 4.206 18.500 ( 7.083 -2.864 6.458) 10.004 18.651 ( -1.049 -15.296 -1.849) 15.443 18.751 ( 6.047 5.178 4.679) 9.234 18.810 ( 6.865 2.918 -0.241) 7.463 19.484 ( 2.690 7.340 -2.156) 8.109 19.648 ( 2.370 17.920 -7.689) 19.644 19.786 ( 0.588 -2.833 -4.006) 4.942 20.328 ( -1.625 -4.224 -4.734) 6.549 21.607 ( -0.479 0.133 0.768) 0.915 21.664 ( -0.294 0.511 -1.087) 1.236 21.753 ( -0.401 0.529 1.166) 1.342 22.081 ( -4.266 -1.571 1.514) 4.792 27.733 ( -0.590 -0.754 0.272) 0.996 27.798 ( 0.167 -2.477 -0.630) 2.561 27.900 ( -0.129 -0.914 0.603) 1.102 27.958 ( -0.833 1.789 -0.727) 2.103 35.524 ( 0.644 -7.502 0.364) 7.538 35.891 ( -9.352 1.366 -5.901) 11.142 36.806 ( 0.682 1.687 19.745) 19.829 37.144 ( 9.522 -5.456 -3.025) 11.383 38.768 ( 2.016 -0.578 4.571) 5.029 38.925 ( 0.615 -5.157 7.400) 9.041 39.920 ( 6.006 4.377 -15.940) 17.587 40.258 ( -0.295 2.811 -15.867) 16.117 ======================= Grid point 216 (112/150) ======================= q-point: (-0.38 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 8.466 -0.726 6.635) 10.781 1.108 ( -1.327 0.542 -5.493) 5.677 1.282 ( -2.322 -4.828 2.565) 5.940 1.486 ( 2.194 -0.395 -3.860) 4.458 1.770 ( -1.896 -1.870 5.665) 6.260 1.931 ( -4.284 1.944 4.527) 6.528 2.013 ( 1.633 -7.821 3.463) 8.708 2.653 ( 0.463 6.089 -4.669) 7.687 2.785 ( 3.991 -0.465 -6.157) 7.352 3.267 ( -6.859 6.161 -8.308) 12.410 3.574 ( 6.862 6.498 9.938) 13.714 3.991 ( 29.246 -1.802 3.109) 29.466 4.190 ( 12.066 -4.938 8.812) 15.736 4.800 ( 8.638 8.026 21.665) 24.666 4.931 ( 9.046 1.356 3.774) 9.895 5.220 ( 2.292 -2.272 -3.925) 5.081 5.337 ( 3.495 7.363 -3.096) 8.719 5.630 ( -5.426 0.945 2.062) 5.881 5.862 ( -4.470 6.277 1.004) 7.771 6.197 ( -9.319 6.246 -8.487) 14.067 6.566 ( -6.918 2.841 -10.378) 12.792 6.858 ( 2.828 8.143 10.484) 13.573 6.920 ( 5.973 -12.872 5.058) 15.065 7.195 ( -2.108 -10.293 2.630) 10.830 7.517 ( 13.627 -11.019 0.949) 17.551 7.679 ( -3.951 0.273 -11.288) 11.963 8.041 ( 2.782 1.118 6.173) 6.863 8.250 ( -4.367 11.929 3.806) 13.261 8.492 ( -11.903 -6.035 2.007) 13.495 8.784 ( -19.251 -2.137 -8.685) 21.227 8.956 ( 1.856 -3.809 -10.318) 11.154 9.528 ( -5.226 -0.161 -2.960) 6.008 10.136 ( 2.367 0.239 2.702) 3.600 10.537 ( -8.531 -0.448 -4.775) 9.787 10.852 ( -0.650 -2.924 4.072) 5.054 11.014 ( -4.470 -0.801 5.988) 7.516 11.162 ( 3.058 -0.104 -4.263) 5.247 11.505 ( -7.017 2.436 -9.037) 11.697 11.823 ( 5.418 1.104 3.387) 6.485 12.164 ( -0.832 -2.511 -3.545) 4.423 12.279 ( 6.738 6.595 2.622) 9.786 12.630 ( 1.356 1.909 5.072) 5.587 12.732 ( -3.236 0.086 -2.781) 4.267 13.071 ( -2.056 8.666 -9.382) 12.936 13.563 ( -0.004 -5.163 5.274) 7.380 13.945 ( -1.666 0.673 -1.740) 2.501 14.227 ( 0.531 -3.578 -2.384) 4.332 14.402 ( -0.009 -7.186 -0.118) 7.187 14.604 ( 4.803 8.111 5.602) 10.965 15.127 ( 5.049 -3.051 2.269) 6.320 15.304 ( 5.564 9.490 8.117) 13.671 15.839 ( -16.393 -3.983 -8.166) 18.742 16.048 ( -11.590 0.940 -9.841) 15.233 16.454 ( 1.108 6.685 -7.272) 9.939 16.845 ( 1.769 0.522 -1.993) 2.716 17.116 ( -1.919 -1.859 3.521) 4.420 17.398 ( 1.657 2.342 7.070) 7.630 17.555 ( 0.230 -16.144 13.252) 20.888 17.991 ( 1.928 -3.456 5.103) 6.458 18.233 ( 2.903 -3.812 5.655) 7.412 18.584 ( 0.977 -0.639 -2.160) 2.455 18.737 ( 5.837 6.081 -2.105) 8.688 18.855 ( 7.159 0.677 4.425) 8.443 18.912 ( 6.588 -5.741 4.046) 9.630 19.365 ( -0.963 13.237 -6.181) 14.641 19.419 ( 1.642 4.327 -0.369) 4.643 19.792 ( 1.542 -1.184 -0.645) 2.048 20.292 ( -4.281 -2.417 -4.805) 6.874 21.609 ( -0.223 -0.104 0.553) 0.605 21.646 ( -0.714 0.190 -0.547) 0.920 21.769 ( 0.941 0.080 2.440) 2.616 22.048 ( -5.047 -1.026 -1.431) 5.346 27.743 ( 0.085 -0.985 0.137) 0.998 27.823 ( -0.451 -2.200 -0.638) 2.335 27.901 ( -0.735 1.119 -0.757) 1.538 27.925 ( -0.426 0.317 0.135) 0.548 35.646 ( 2.082 -7.432 -0.436) 7.730 35.768 ( -5.374 -2.122 -2.509) 6.299 36.934 ( -4.378 4.987 18.208) 19.379 37.248 ( 9.412 0.594 -3.785) 10.162 38.814 ( 2.978 0.634 -0.720) 3.129 39.056 ( 2.006 -0.839 3.398) 4.034 39.840 ( 5.306 -2.415 -6.808) 8.963 40.128 ( 0.975 -3.858 -10.871) 11.576 ======================= Grid point 217 (113/150) ======================= q-point: (-0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 7.460 -1.649 6.037) 9.738 1.009 ( -3.841 1.631 -5.853) 7.188 1.341 ( -2.085 -3.520 3.004) 5.075 1.475 ( 2.729 0.718 -2.481) 3.757 1.819 ( -1.355 -0.412 5.433) 5.614 1.883 ( -7.582 1.104 4.931) 9.112 2.252 ( 10.126 -8.886 5.271) 14.466 2.555 ( -13.366 -6.356 -4.889) 15.587 2.810 ( 11.792 4.649 0.048) 12.676 3.046 ( -6.289 4.258 -6.549) 10.028 3.679 ( 11.280 5.818 9.737) 15.997 4.115 ( 2.216 3.935 -5.633) 7.220 4.581 ( 6.563 0.531 17.791) 18.970 4.835 ( 6.419 1.484 4.358) 7.899 5.060 ( 4.213 3.359 8.674) 10.211 5.226 ( 6.510 0.508 -0.519) 6.551 5.448 ( 16.516 0.643 9.019) 18.830 5.674 ( -1.206 -10.280 3.353) 10.880 5.808 ( -6.072 4.688 -0.928) 7.728 5.920 ( -0.390 6.951 -1.246) 7.073 6.269 ( -15.587 3.482 -12.818) 20.479 6.732 ( -6.737 6.642 -16.551) 19.064 7.136 ( -3.318 -0.015 5.567) 6.481 7.310 ( 11.159 1.575 18.328) 21.516 7.558 ( 5.935 3.002 -10.158) 12.142 7.932 ( 15.756 -17.326 2.841) 23.590 8.054 ( -14.323 -5.790 1.863) 15.561 8.169 ( -0.460 3.432 4.193) 5.438 8.479 ( -6.316 -3.041 3.328) 7.759 8.562 ( -15.016 -1.922 -0.045) 15.139 8.943 ( 6.167 -0.559 -10.058) 11.812 9.303 ( -9.727 5.963 -16.480) 20.044 10.192 ( 4.234 -0.232 1.841) 4.623 10.395 ( -8.021 0.568 -5.937) 9.995 10.879 ( -2.421 0.554 3.093) 3.966 11.037 ( -1.100 1.675 3.043) 3.643 11.147 ( 0.442 -0.808 -3.379) 3.502 11.327 ( -2.768 1.695 -7.249) 7.942 11.947 ( 7.501 -3.033 4.120) 9.079 12.143 ( -1.620 -1.985 -4.653) 5.312 12.298 ( 4.759 3.601 3.490) 6.914 12.554 ( -3.896 2.500 -8.034) 9.272 12.748 ( 2.080 0.347 5.911) 6.276 12.924 ( -2.428 0.983 -3.662) 4.502 13.665 ( 0.561 -0.237 5.890) 5.921 13.862 ( -3.081 4.062 -2.918) 5.875 14.258 ( -0.695 -2.918 1.771) 3.484 14.332 ( -5.985 0.756 -1.374) 6.187 14.796 ( 10.445 -1.796 13.191) 16.921 15.287 ( 3.531 -6.314 4.561) 8.552 15.406 ( 6.416 4.313 5.395) 9.427 15.619 ( -10.891 -6.615 -7.728) 14.903 15.865 ( -6.762 -1.945 -6.799) 9.784 16.205 ( -3.675 9.823 -15.927) 19.071 16.873 ( 1.187 -1.161 5.356) 5.607 17.158 ( -2.318 -5.817 -3.857) 7.355 17.434 ( 1.589 7.364 10.476) 12.903 17.803 ( -0.867 -2.434 3.072) 4.014 18.099 ( -2.008 -3.417 8.194) 9.102 18.394 ( 8.183 -3.833 4.232) 9.978 18.537 ( 3.465 4.968 -6.329) 8.760 18.584 ( 0.003 11.314 -7.267) 13.447 18.938 ( 5.609 4.179 8.090) 10.695 19.115 ( 3.278 -8.081 3.571) 9.423 19.204 ( -1.393 1.687 -2.643) 3.431 19.388 ( -1.555 -3.381 -5.679) 6.790 19.876 ( 5.981 -0.337 7.562) 9.647 20.210 ( -5.653 -0.873 -5.394) 7.862 21.619 ( 0.311 -0.613 0.501) 0.851 21.634 ( -1.074 -0.391 -0.195) 1.160 21.814 ( 1.723 0.182 3.828) 4.202 21.978 ( -4.775 0.115 -2.920) 5.598 27.765 ( 1.233 -0.805 0.495) 1.554 27.820 ( -1.743 -0.529 -1.742) 2.520 27.877 ( 0.351 1.012 0.768) 1.318 27.924 ( -0.540 -0.497 -0.528) 0.904 35.715 ( 1.703 -2.106 0.717) 2.802 35.801 ( -1.399 -8.079 -1.998) 8.439 36.932 ( -8.311 7.188 12.839) 16.899 37.262 ( 9.514 5.719 -4.781) 12.086 38.809 ( 3.853 3.570 -1.629) 5.500 38.988 ( -0.837 7.530 -7.270) 10.500 39.995 ( 1.842 -14.212 3.514) 14.756 40.179 ( 5.021 -10.511 -5.041) 12.692 ======================= Grid point 218 (114/150) ======================= q-point: (-0.12 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -5.736 0.953 -2.130) 6.192 0.935 ( 6.050 -0.851 0.560) 6.135 1.385 ( -1.523 -2.347 1.761) 3.306 1.482 ( 3.417 0.514 -1.469) 3.755 1.834 ( -7.067 0.959 4.078) 8.215 1.864 ( -1.303 0.228 6.435) 6.569 2.397 ( -16.354 -3.502 -8.100) 18.584 2.530 ( 12.460 -3.872 7.091) 14.850 2.852 ( -3.454 -0.791 0.265) 3.553 2.957 ( 7.899 3.107 0.654) 8.513 3.837 ( -2.915 -3.478 -3.471) 5.713 3.926 ( 8.461 7.019 0.766) 11.020 4.701 ( -0.189 -0.608 11.395) 11.413 4.944 ( -1.004 2.475 -7.219) 7.697 5.080 ( -4.720 3.002 9.379) 10.920 5.337 ( 3.347 -4.630 -3.177) 6.537 5.547 ( -5.969 4.386 -2.335) 7.767 5.596 ( 2.624 3.295 0.567) 4.251 5.919 ( -11.122 -10.300 -8.958) 17.608 5.999 ( 1.067 1.025 4.811) 5.033 6.089 ( 18.549 -9.345 9.986) 23.046 6.365 ( 2.213 8.476 -19.644) 21.509 7.165 ( -1.971 0.625 7.543) 7.821 7.459 ( 2.800 1.491 -11.215) 11.655 7.674 ( 16.823 7.493 31.787) 36.736 7.897 ( -20.328 -1.300 -18.592) 27.579 8.035 ( -9.300 0.336 7.523) 11.966 8.248 ( 5.082 5.089 2.347) 7.565 8.509 ( -1.867 -1.560 4.687) 5.281 8.582 ( -1.056 -4.319 10.350) 11.265 8.837 ( -1.542 3.414 -13.685) 14.189 9.021 ( 3.382 0.539 -12.814) 13.263 10.242 ( -5.923 0.799 -5.496) 8.120 10.281 ( 6.067 -1.357 2.017) 6.536 10.839 ( -7.487 4.302 3.866) 9.461 10.984 ( -2.344 -0.539 -3.127) 3.945 11.149 ( 0.624 0.242 1.713) 1.839 11.317 ( 6.978 -2.626 -2.468) 7.854 12.077 ( -2.561 -0.732 -5.383) 6.006 12.105 ( 5.784 -2.726 1.179) 6.502 12.365 ( 2.623 0.409 3.403) 4.315 12.419 ( -1.065 0.504 -4.496) 4.647 12.812 ( -4.443 -1.757 1.540) 5.020 12.918 ( 4.189 -4.658 0.756) 6.310 13.617 ( -9.051 6.327 1.503) 11.145 13.797 ( 5.137 3.434 0.261) 6.185 14.288 ( -4.750 -1.987 1.709) 5.425 14.336 ( 3.830 -0.307 4.949) 6.265 15.069 ( 5.615 -1.905 11.574) 13.005 15.223 ( -5.103 -1.475 -10.641) 11.893 15.482 ( 1.579 -2.225 13.136) 13.417 15.728 ( -0.988 -3.575 5.007) 6.231 15.857 ( -0.478 -3.368 -18.923) 19.226 15.883 ( 1.873 -0.382 -3.359) 3.865 16.987 ( 0.182 -3.219 8.821) 9.392 17.140 ( -3.140 -5.305 -7.378) 9.615 17.439 ( 1.545 10.912 11.286) 15.775 17.653 ( -3.973 12.410 -9.071) 15.876 18.085 ( -6.873 7.822 5.367) 11.714 18.380 ( 0.987 8.084 -5.684) 9.931 18.424 ( -0.897 6.718 -4.285) 8.018 18.573 ( 6.921 -5.163 -3.144) 9.190 19.058 ( -2.698 -4.449 6.217) 8.107 19.197 ( 3.589 -1.721 0.469) 4.008 19.233 ( -1.633 -5.616 4.278) 7.247 19.428 ( 2.545 -12.578 -7.622) 14.926 20.009 ( 0.808 2.718 5.696) 6.363 20.116 ( 1.001 -0.505 -3.189) 3.380 21.627 ( -1.173 -0.544 0.174) 1.305 21.644 ( 0.546 -1.654 0.491) 1.809 21.867 ( 1.639 1.008 4.421) 4.822 21.896 ( -3.284 1.169 -2.542) 4.314 27.780 ( -1.457 0.753 -1.266) 2.072 27.796 ( 1.927 0.325 0.533) 2.026 27.892 ( 0.645 -0.439 1.785) 1.947 27.914 ( -0.800 -0.699 -1.454) 1.801 35.786 ( -1.556 -3.699 0.438) 4.036 35.845 ( 2.066 -3.225 -0.902) 3.934 36.837 ( -10.755 5.916 7.275) 14.269 37.225 ( 9.750 7.996 -5.169) 13.628 38.775 ( 0.749 7.126 -3.125) 7.817 38.786 ( -0.490 5.234 -4.701) 7.052 40.201 ( -3.754 -13.773 1.477) 14.352 40.401 ( 8.773 -14.694 -2.889) 17.356 ======================= Grid point 222 (115/150) ======================= q-point: ( 0.38 0.38 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 4.455 0.000 3.536) 5.688 1.065 ( -4.145 -0.000 -4.025) 5.778 1.207 ( -1.047 -0.000 -2.795) 2.985 1.408 ( 0.543 0.000 -1.599) 1.688 1.712 ( -0.690 -0.000 3.742) 3.805 1.872 ( 1.931 0.000 1.309) 2.332 2.018 ( -5.231 -0.000 2.064) 5.624 2.700 ( -1.527 -0.000 -8.108) 8.251 3.071 ( 1.024 0.000 -6.627) 6.705 3.317 ( 25.612 0.000 -3.020) 25.789 3.518 ( -3.570 -0.000 1.609) 3.916 4.031 ( -1.899 -0.000 2.683) 3.287 4.283 ( 20.180 0.000 -11.278) 23.117 4.288 ( 11.702 0.000 -8.804) 14.644 4.748 ( 14.675 0.000 9.526) 17.496 5.021 ( 0.645 0.000 -0.496) 0.814 5.531 ( 9.190 0.000 -5.416) 10.668 5.795 ( 14.806 0.000 4.150) 15.376 6.023 ( -12.350 -0.000 0.714) 12.371 6.291 ( 7.528 0.000 -0.064) 7.529 6.612 ( 2.134 0.000 7.032) 7.349 6.615 ( 4.047 0.000 -1.759) 4.412 6.832 ( 3.956 0.000 -2.368) 4.611 6.920 ( -3.743 -0.000 -13.626) 14.131 7.464 ( -13.472 -0.000 6.120) 14.796 7.695 ( -15.313 -0.000 9.149) 17.838 8.271 ( -10.089 -0.000 -9.494) 13.854 8.386 ( -7.712 -0.000 12.817) 14.959 8.652 ( -6.230 -0.000 6.903) 9.299 8.767 ( 5.724 0.000 -6.833) 8.914 9.251 ( 11.632 0.000 27.112) 29.502 9.277 ( -26.236 -0.000 -17.876) 31.747 10.103 ( 0.829 0.000 4.180) 4.261 10.623 ( -6.671 -0.000 1.732) 6.892 10.710 ( -2.005 -0.000 4.413) 4.848 11.012 ( -3.757 -0.000 4.997) 6.252 11.127 ( 2.148 0.000 -7.893) 8.180 11.678 ( -5.304 -0.000 -6.097) 8.081 11.846 ( 3.870 0.000 2.036) 4.373 12.130 ( 0.261 0.000 -1.638) 1.659 12.409 ( 10.197 0.000 2.417) 10.479 12.581 ( -2.249 -0.000 14.018) 14.198 12.752 ( -1.548 -0.000 -8.873) 9.007 13.329 ( -0.859 -0.000 -0.971) 1.296 13.580 ( 5.363 0.000 -7.765) 9.437 13.878 ( -1.318 -0.000 -9.307) 9.400 14.077 ( 7.341 0.000 -1.454) 7.484 14.085 ( 0.306 0.000 -1.331) 1.366 15.044 ( -14.366 -0.000 9.458) 17.200 15.049 ( 4.658 0.000 6.035) 7.624 15.691 ( -6.281 -0.000 -11.745) 13.319 15.904 ( -8.468 -0.000 -1.399) 8.583 16.230 ( 5.942 0.000 9.036) 10.815 16.488 ( -13.119 -0.000 -3.799) 13.658 16.777 ( 7.083 0.000 4.477) 8.379 16.919 ( -2.621 -0.000 -1.555) 3.048 17.243 ( 5.385 0.000 9.311) 10.756 17.407 ( -0.003 -0.000 5.321) 5.321 17.832 ( -0.872 -0.000 0.276) 0.915 18.136 ( -0.218 -0.000 4.866) 4.871 18.322 ( 1.134 0.000 -1.782) 2.112 18.495 ( 2.857 0.000 3.549) 4.556 18.826 ( 6.767 0.000 7.265) 9.929 18.845 ( 6.870 0.000 0.187) 6.873 19.649 ( 3.014 0.000 -0.915) 3.150 19.686 ( 0.847 0.000 -7.000) 7.051 19.967 ( 1.034 0.000 -9.380) 9.437 20.204 ( 0.712 0.000 -6.648) 6.686 21.611 ( -0.700 -0.000 1.064) 1.274 21.673 ( 0.406 0.000 -1.861) 1.905 21.761 ( -1.416 -0.000 1.349) 1.955 22.057 ( -4.455 -0.000 2.353) 5.038 27.727 ( -1.058 -0.000 1.079) 1.511 27.755 ( 0.836 0.000 -1.309) 1.553 27.884 ( 0.020 0.000 0.469) 0.469 27.983 ( -0.840 -0.000 -0.823) 1.176 35.416 ( 0.144 0.000 0.560) 0.578 35.896 ( -11.953 -0.000 -6.755) 13.729 36.854 ( 5.320 0.000 16.138) 16.992 37.040 ( 10.651 0.000 4.685) 11.636 38.790 ( 0.178 0.000 1.517) 1.527 38.817 ( 1.458 0.000 11.923) 12.012 39.984 ( 5.486 0.000 -19.613) 20.366 40.307 ( -0.849 -0.000 -20.120) 20.138 ======================= Grid point 223 (116/150) ======================= q-point: ( 0.50 0.38 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 6.456 1.214 6.573) 9.293 1.063 ( 1.410 -3.946 -2.596) 4.929 1.169 ( -2.509 -1.417 -0.893) 3.017 1.410 ( 0.024 -3.054 -2.899) 4.211 1.740 ( -1.046 0.140 4.698) 4.815 1.922 ( 4.040 0.078 2.978) 5.020 1.970 ( -6.690 -0.124 1.363) 6.829 2.624 ( -9.693 -2.685 -6.235) 11.834 2.929 ( 9.792 4.578 -11.737) 15.956 3.421 ( -9.266 3.841 -4.103) 10.837 3.707 ( 20.863 2.510 10.301) 23.403 3.986 ( 10.978 -0.932 1.706) 11.148 4.207 ( 22.369 12.165 -1.308) 25.496 4.669 ( 10.713 -14.789 -1.277) 18.306 5.028 ( 2.208 -0.830 4.077) 4.710 5.080 ( 12.724 -1.751 11.563) 17.282 5.539 ( 0.735 4.430 -1.545) 4.749 5.816 ( 1.158 9.185 3.354) 9.847 5.995 ( 1.707 0.951 -0.363) 1.987 6.310 ( 8.016 7.238 1.192) 10.866 6.589 ( -11.792 -4.661 -6.864) 14.419 6.669 ( 2.102 0.177 -4.876) 5.313 6.806 ( 3.080 -9.895 -1.628) 10.490 7.016 ( 7.770 -10.887 -4.080) 13.984 7.317 ( -2.733 8.678 7.809) 11.990 7.706 ( -11.264 -3.351 5.354) 12.915 8.057 ( -11.820 -3.686 -7.441) 14.445 8.394 ( -14.507 3.012 5.057) 15.656 8.526 ( -9.515 4.343 -2.156) 10.679 8.799 ( -9.901 2.256 -2.951) 10.575 8.845 ( -1.498 -3.122 -8.924) 9.573 9.514 ( 0.789 -0.491 7.381) 7.439 10.167 ( 3.083 1.278 5.605) 6.523 10.531 ( -8.123 -0.179 -3.137) 8.709 10.802 ( 1.251 -0.208 11.928) 11.995 11.003 ( -4.781 0.008 5.144) 7.022 11.117 ( 3.738 -2.450 -3.835) 5.889 11.554 ( -5.248 0.957 -6.882) 8.708 11.893 ( 3.265 2.617 2.870) 5.074 12.111 ( -0.681 -1.257 -3.235) 3.536 12.468 ( 5.934 6.395 1.482) 8.849 12.683 ( -2.000 -2.601 -5.547) 6.445 12.707 ( 1.476 2.049 13.917) 14.144 13.348 ( -2.008 -0.887 -2.378) 3.236 13.419 ( 1.846 8.454 -8.562) 12.173 13.824 ( -2.203 -10.231 -8.761) 13.649 14.156 ( 5.202 -1.181 -1.150) 5.457 14.182 ( 6.288 -4.710 2.071) 8.125 14.885 ( -8.401 9.509 2.726) 12.978 15.148 ( 1.050 0.944 6.217) 6.376 15.439 ( -8.016 -0.288 -13.805) 15.966 15.761 ( -12.604 -1.499 -7.120) 14.553 16.196 ( -5.056 12.064 2.787) 13.374 16.528 ( 2.648 -6.012 1.803) 6.812 16.797 ( 4.025 1.643 1.752) 4.687 17.076 ( 1.928 -15.832 5.246) 16.790 17.287 ( -2.154 12.323 1.782) 12.636 17.488 ( 4.407 0.418 12.623) 13.377 17.898 ( 2.974 -3.110 8.237) 9.293 18.155 ( -0.012 -0.127 2.749) 2.752 18.368 ( -3.030 -13.564 -7.110) 15.611 18.617 ( 7.501 -1.664 6.648) 10.160 18.960 ( 7.779 3.432 8.667) 12.141 18.969 ( 9.413 1.776 5.090) 10.848 19.553 ( -0.301 5.722 -5.799) 8.152 19.707 ( -4.050 -1.439 0.501) 4.327 19.777 ( 4.550 9.423 -13.523) 17.099 20.179 ( -1.774 -5.347 -7.720) 9.557 21.611 ( -0.888 0.162 1.024) 1.365 21.659 ( 0.451 0.503 -1.398) 1.553 21.768 ( -0.209 -0.134 2.274) 2.288 22.020 ( -5.228 -0.761 -0.261) 5.289 27.725 ( -0.522 -0.125 0.618) 0.818 27.767 ( 0.579 -1.625 -0.729) 1.872 27.893 ( 0.214 -0.570 0.174) 0.633 27.955 ( -1.307 0.837 -1.166) 1.941 35.462 ( 2.037 -4.282 0.648) 4.786 35.729 ( -9.017 -1.235 -5.264) 10.514 37.046 ( 3.160 2.838 17.298) 17.812 37.236 ( 9.073 -0.849 8.083) 12.180 38.813 ( 2.559 -0.139 1.306) 2.876 38.974 ( 1.835 -3.126 10.747) 11.342 39.853 ( 5.906 1.175 -17.519) 18.525 40.080 ( -1.710 -0.301 -21.850) 21.918 ======================= Grid point 224 (117/150) ======================= q-point: (-0.38 -0.62 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 5.841 -0.268 6.825) 8.987 1.033 ( -1.275 0.264 -7.493) 7.605 1.226 ( -0.849 -4.682 4.028) 6.234 1.428 ( 0.869 -4.178 -4.697) 6.346 1.788 ( -1.892 -1.410 6.482) 6.898 1.905 ( -7.385 0.442 1.835) 7.622 2.048 ( 8.230 -3.372 6.836) 11.218 2.443 ( -12.230 -3.171 -9.670) 15.910 2.957 ( 14.593 5.110 -2.482) 15.659 3.172 ( -10.679 5.278 -8.457) 14.608 3.809 ( 4.832 4.478 7.175) 9.741 4.162 ( 4.434 -4.218 -6.452) 8.893 4.563 ( 34.676 4.120 21.727) 41.128 4.799 ( -6.026 -1.186 -2.622) 6.678 5.003 ( -7.908 -11.573 -5.564) 15.081 5.330 ( 7.161 8.423 10.029) 14.927 5.482 ( 5.554 0.995 7.237) 9.176 5.789 ( 7.459 14.894 9.584) 19.218 5.927 ( 1.013 4.959 -4.700) 6.907 6.187 ( -9.776 9.153 -7.561) 15.379 6.336 ( -4.605 4.672 -11.195) 12.975 6.827 ( -9.354 -0.519 -15.782) 18.353 6.929 ( 13.223 -16.603 11.385) 24.086 7.181 ( 3.297 -7.035 4.718) 9.089 7.421 ( 2.405 -16.924 -4.560) 17.692 7.618 ( -0.758 2.002 -3.661) 4.241 7.949 ( -13.255 -4.373 -3.353) 14.355 8.129 ( -13.082 -4.430 -2.666) 14.067 8.480 ( -7.951 2.265 10.208) 13.136 8.680 ( -1.722 8.313 11.924) 14.637 8.917 ( 11.828 -1.241 -6.028) 13.334 9.435 ( -8.111 3.290 -9.432) 12.868 10.236 ( 4.408 2.707 5.644) 7.656 10.413 ( -6.929 0.686 -3.136) 7.637 10.899 ( -0.288 2.145 8.302) 8.579 11.045 ( 0.111 -0.399 7.943) 7.953 11.156 ( 2.752 -0.205 -2.815) 3.942 11.402 ( -4.365 3.229 -7.734) 9.449 11.926 ( 4.102 1.298 3.149) 5.332 12.087 ( -1.024 -1.714 -3.866) 4.351 12.437 ( 2.508 6.145 1.619) 6.831 12.629 ( -1.412 1.533 -5.297) 5.692 12.808 ( 2.891 3.649 8.902) 10.045 13.089 ( -2.281 11.468 -9.070) 14.798 13.524 ( 0.308 -9.544 6.339) 11.461 13.848 ( -3.049 -6.554 -5.960) 9.369 14.182 ( 1.465 -0.732 -1.380) 2.141 14.285 ( -4.176 -5.239 -2.866) 7.287 14.783 ( 4.334 3.117 6.641) 8.520 15.175 ( -0.407 -1.384 -0.350) 1.485 15.385 ( 1.218 -8.195 -4.037) 9.217 15.542 ( -12.508 1.460 -7.395) 14.604 16.021 ( -3.256 13.009 5.997) 14.690 16.498 ( 2.120 8.414 -9.144) 12.606 16.877 ( 4.506 -0.672 0.849) 4.635 17.049 ( -5.192 4.851 -4.607) 8.469 17.460 ( 0.440 -17.733 14.397) 22.846 17.621 ( 2.766 2.503 11.618) 12.203 18.035 ( 1.024 -0.105 7.957) 8.024 18.272 ( 4.812 -5.338 7.792) 10.600 18.437 ( -1.954 -11.678 -7.894) 14.231 18.747 ( 3.844 -0.305 -2.690) 4.702 19.040 ( 6.298 5.406 8.449) 11.843 19.090 ( 8.770 3.424 4.969) 10.646 19.401 ( -3.220 4.852 -8.308) 10.146 19.438 ( -6.178 11.794 -10.056) 16.685 19.820 ( 5.571 -3.512 3.362) 7.394 20.137 ( -4.111 -4.376 -7.637) 9.715 21.609 ( -0.861 -0.046 0.816) 1.187 21.643 ( 0.320 0.790 -0.843) 1.199 21.808 ( 1.356 -0.536 3.797) 4.067 21.964 ( -4.889 -0.852 -2.079) 5.381 27.738 ( 0.450 -0.895 0.746) 1.249 27.783 ( -0.313 -1.613 -1.101) 1.978 27.901 ( 0.313 0.125 -0.090) 0.349 27.922 ( -0.954 0.443 -0.633) 1.227 35.578 ( 4.115 -6.850 0.509) 8.007 35.643 ( -5.300 -3.595 -3.055) 7.096 37.146 ( -2.961 7.879 15.466) 17.608 37.370 ( 7.539 2.487 3.507) 8.679 38.868 ( 4.552 0.890 2.125) 5.102 39.102 ( 1.681 0.040 2.522) 3.031 39.744 ( 0.024 -3.250 -11.370) 11.826 39.936 ( 2.490 -7.551 -15.506) 17.425 ======================= Grid point 225 (118/150) ======================= q-point: (-0.25 -0.62 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 0.751 -0.693 3.337) 3.490 0.931 ( -0.297 0.452 -5.627) 5.653 1.302 ( -1.940 -3.313 3.761) 5.374 1.449 ( 2.129 -3.659 -4.477) 6.162 1.842 ( -6.851 -0.412 3.762) 7.827 1.854 ( -2.303 -0.687 6.341) 6.781 2.268 ( -6.153 -4.789 -3.337) 8.481 2.353 ( 9.745 -7.806 5.010) 13.454 2.896 ( -8.852 3.230 -6.383) 11.381 3.037 ( 8.364 4.568 -1.835) 9.706 3.837 ( -7.498 2.156 1.131) 7.883 4.116 ( 6.976 4.360 -7.589) 11.192 4.600 ( -20.005 -6.218 1.584) 21.009 5.016 ( -7.317 -4.510 6.274) 10.641 5.068 ( 18.399 2.044 3.044) 18.761 5.281 ( -0.137 3.146 -8.392) 8.963 5.642 ( -4.096 -1.859 0.700) 4.553 5.753 ( -11.204 0.970 -9.225) 14.545 5.791 ( 0.750 9.786 1.149) 9.881 5.873 ( 10.706 7.514 7.708) 15.182 6.296 ( 11.790 8.952 9.500) 17.589 6.518 ( -4.586 1.601 -18.235) 18.871 7.199 ( -1.690 0.899 8.617) 8.827 7.358 ( -19.273 -17.561 -5.194) 26.586 7.521 ( 4.604 -5.007 -8.644) 10.999 7.649 ( 4.177 -15.286 -1.523) 15.920 8.083 ( 3.146 2.556 11.363) 12.064 8.113 ( 4.201 -10.685 3.617) 12.038 8.477 ( -3.726 -0.688 8.317) 9.140 8.730 ( 8.286 10.562 15.098) 20.203 8.989 ( 9.568 4.483 -2.067) 10.766 9.126 ( -7.924 6.684 -16.554) 19.532 10.295 ( -3.496 2.503 -2.063) 4.769 10.308 ( 4.161 2.531 3.882) 6.228 10.922 ( -3.393 2.185 7.351) 8.386 11.058 ( -4.076 6.260 -5.417) 9.228 11.153 ( 4.890 0.084 5.140) 7.095 11.280 ( 1.667 0.289 -5.789) 6.031 12.017 ( 4.761 -2.103 2.479) 5.765 12.056 ( -0.809 -1.688 -4.629) 4.993 12.412 ( 0.377 3.017 1.673) 3.471 12.503 ( 0.214 5.526 -6.015) 8.171 12.843 ( 0.610 4.039 3.199) 5.188 12.902 ( -1.016 3.779 -2.777) 4.798 13.699 ( -2.277 -3.239 7.121) 8.148 13.800 ( -4.727 -2.458 -3.587) 6.423 14.210 ( -2.587 -3.107 1.517) 4.318 14.263 ( -0.179 -5.100 -0.505) 5.128 14.995 ( 7.164 -3.119 12.263) 14.541 15.134 ( -6.845 -5.467 -12.675) 15.408 15.347 ( -7.149 -4.502 0.712) 8.479 15.587 ( 12.425 -6.448 0.615) 14.012 15.908 ( -1.438 12.732 9.841) 16.156 16.215 ( 1.288 16.112 -13.600) 21.124 16.905 ( -2.949 -1.482 2.335) 4.043 16.993 ( -0.699 -4.739 -3.279) 5.805 17.683 ( 1.943 3.913 10.658) 11.519 17.756 ( -1.852 -5.862 2.931) 6.811 18.141 ( -1.214 -1.751 11.885) 12.075 18.458 ( 4.941 -4.768 1.909) 7.127 18.476 ( 0.971 -5.894 -5.828) 8.345 18.587 ( -3.354 8.993 -12.886) 16.068 19.078 ( -5.320 7.239 -1.515) 9.110 19.149 ( 3.547 1.988 1.174) 4.232 19.213 ( -0.217 1.404 -0.289) 1.450 19.254 ( -0.259 -0.434 -4.528) 4.556 19.998 ( 6.295 -3.663 7.837) 10.699 20.060 ( -4.704 -3.062 -7.589) 9.439 21.611 ( -0.738 -0.509 0.468) 1.011 21.632 ( 0.420 0.541 -0.079) 0.689 21.875 ( 0.498 -0.354 3.721) 3.770 21.905 ( -2.034 -0.347 -1.299) 2.439 27.767 ( -0.136 -1.289 0.146) 1.304 27.785 ( 0.728 -1.004 -0.549) 1.356 27.898 ( 0.063 0.537 0.731) 0.909 27.911 ( -0.148 0.165 -0.629) 0.667 35.649 ( -2.175 -5.999 -1.016) 6.462 35.718 ( 4.685 -5.869 -0.019) 7.510 37.069 ( -9.236 10.910 9.513) 17.171 37.415 ( 9.227 5.851 -1.314) 11.004 38.906 ( 3.513 4.123 2.438) 5.940 38.993 ( -1.541 7.571 -10.407) 12.961 39.795 ( -4.670 -15.025 -0.697) 15.749 40.024 ( 7.254 -13.196 -7.155) 16.672 ======================= Grid point 226 (119/150) ======================= q-point: (-0.12 -0.62 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -8.189 1.783 -7.076) 10.969 1.004 ( 5.427 -2.152 3.202) 6.658 1.350 ( -1.825 -2.631 2.332) 3.961 1.483 ( 2.756 -2.642 -2.872) 4.777 1.803 ( -5.964 0.129 3.086) 6.717 1.913 ( -2.687 -0.517 7.911) 8.371 2.152 ( -9.346 -1.162 -6.298) 11.329 2.650 ( 2.038 -1.201 1.949) 3.065 2.786 ( 6.472 -9.227 -0.533) 11.283 3.043 ( 2.401 1.744 0.201) 2.974 3.617 ( -9.235 2.777 -7.406) 12.159 4.149 ( 5.333 -0.195 -4.037) 6.692 4.431 ( -27.297 -12.002 -13.025) 32.540 4.960 ( -14.890 -1.521 -2.471) 15.170 5.021 ( 3.166 6.497 -4.573) 8.553 5.195 ( -4.759 -0.573 -1.697) 5.085 5.356 ( -15.998 3.559 -16.285) 23.104 5.669 ( 6.296 1.724 5.277) 8.394 5.913 ( 10.663 0.530 9.370) 14.205 6.013 ( 4.575 -1.893 -3.350) 5.978 6.412 ( 10.536 3.944 1.875) 11.405 6.545 ( 16.901 6.357 19.848) 26.833 7.207 ( -18.057 -13.176 -8.308) 23.848 7.236 ( -0.933 2.862 3.321) 4.482 7.544 ( 1.094 3.006 -10.329) 10.813 7.683 ( -15.708 -14.903 -5.910) 22.444 8.156 ( -1.729 2.245 5.381) 6.081 8.320 ( 3.962 0.229 -0.714) 4.032 8.603 ( 4.636 1.212 8.876) 10.087 8.748 ( -0.504 6.154 -11.603) 13.143 8.893 ( 17.078 6.047 14.636) 23.290 9.103 ( 9.741 5.928 9.109) 14.594 10.181 ( -2.695 2.547 -3.199) 4.897 10.409 ( 7.623 1.871 6.968) 10.496 10.858 ( -6.067 7.086 -2.058) 9.552 10.921 ( -5.796 0.166 5.290) 7.849 11.227 ( 5.463 1.226 -0.026) 5.599 11.342 ( 7.850 -3.484 2.226) 8.872 11.978 ( -2.369 -0.123 -7.569) 7.932 12.133 ( 3.886 -2.832 1.109) 4.935 12.322 ( -3.332 1.798 -5.998) 7.093 12.506 ( 5.637 1.000 5.157) 7.705 12.758 ( -4.647 2.262 -1.699) 5.440 12.936 ( 4.500 -2.967 2.409) 5.904 13.612 ( -7.608 5.173 0.793) 9.234 13.844 ( 0.483 -2.341 2.238) 3.275 14.259 ( -0.261 -2.277 2.235) 3.201 14.371 ( 1.505 -4.988 3.146) 6.086 14.869 ( -12.177 -1.952 -12.289) 17.410 15.249 ( 0.209 -9.612 -1.236) 9.693 15.472 ( 1.944 -5.309 4.982) 7.536 15.710 ( 4.647 8.181 -3.241) 9.952 15.872 ( 7.829 -2.454 6.399) 10.405 16.027 ( 7.250 11.354 7.066) 15.212 16.899 ( -5.765 -5.631 -2.904) 8.566 17.070 ( 1.121 -4.529 5.039) 6.867 17.644 ( -4.867 9.909 -8.901) 14.181 17.723 ( 0.859 7.706 8.056) 11.181 18.159 ( -8.096 7.102 7.060) 12.877 18.293 ( -7.690 1.710 -11.479) 13.922 18.489 ( 4.235 2.096 -5.434) 7.201 18.565 ( 2.798 -0.292 -0.190) 2.820 18.954 ( -7.791 -1.401 -4.276) 8.997 19.112 ( -3.492 -11.888 -5.037) 13.375 19.197 ( 1.569 -0.668 0.956) 1.955 19.359 ( 4.358 -1.353 2.833) 5.371 19.950 ( -3.706 -0.057 -7.139) 8.044 20.195 ( 6.096 -3.031 6.827) 9.641 21.611 ( -0.654 -0.295 0.030) 0.718 21.641 ( 0.436 -0.660 0.747) 1.088 21.835 ( -3.164 -0.174 -2.329) 3.933 21.963 ( 2.981 1.072 5.513) 6.358 27.762 ( -0.477 -0.185 -0.856) 0.997 27.824 ( 1.909 -0.696 1.242) 2.382 27.891 ( -0.448 0.469 -1.182) 1.348 27.910 ( 0.255 -0.147 1.446) 1.476 35.701 ( -1.075 -3.688 -1.171) 4.016 35.832 ( 3.796 -5.465 0.874) 6.711 36.882 ( -12.805 9.895 6.025) 17.268 37.389 ( 10.354 8.412 -6.361) 14.779 38.758 ( -4.416 6.108 -7.158) 10.394 38.903 ( 2.634 6.199 2.664) 7.243 39.947 ( -4.426 -16.510 -2.510) 17.277 40.246 ( 6.629 -15.089 -4.191) 17.005 ======================= Grid point 231 (120/150) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 4.408 0.000 6.651) 7.979 1.032 ( 1.433 0.000 -6.500) 6.656 1.153 ( 1.139 0.000 4.377) 4.523 1.347 ( -1.712 -0.000 -3.673) 4.052 1.774 ( -1.359 -0.000 5.058) 5.237 1.906 ( -6.339 -0.000 0.743) 6.382 2.025 ( 7.212 0.000 5.776) 9.240 2.397 ( -12.836 -0.000 -10.197) 16.393 3.030 ( 15.985 0.000 -2.867) 16.241 3.263 ( -14.236 -0.000 -8.056) 16.357 3.916 ( -4.007 -0.000 -0.723) 4.072 4.010 ( 11.656 0.000 1.416) 11.741 4.706 ( 23.018 0.000 -0.432) 23.022 4.747 ( 21.188 0.000 22.324) 30.779 4.858 ( -18.543 -0.000 -7.805) 20.119 5.419 ( 17.030 0.000 11.897) 20.774 5.487 ( -7.728 -0.000 2.517) 8.127 6.024 ( 1.270 0.000 -16.927) 16.975 6.045 ( 16.155 0.000 11.738) 19.969 6.333 ( -9.793 -0.000 -1.869) 9.970 6.516 ( -2.626 -0.000 -5.313) 5.926 6.613 ( 8.094 0.000 3.252) 8.723 6.738 ( -7.121 -0.000 -2.148) 7.438 6.980 ( 13.339 0.000 -7.770) 15.437 7.252 ( -15.416 -0.000 -9.548) 18.133 7.660 ( -7.280 -0.000 2.425) 7.674 7.779 ( -11.681 -0.000 -2.821) 12.017 8.123 ( -12.000 -0.000 -6.189) 13.502 8.517 ( -11.065 -0.000 11.584) 16.019 8.819 ( 1.454 0.000 12.814) 12.896 8.883 ( 14.600 0.000 -6.709) 16.068 9.477 ( -7.698 -0.000 -7.345) 10.640 10.282 ( 4.732 0.000 6.335) 7.907 10.423 ( -6.728 -0.000 -2.062) 7.037 10.963 ( -0.602 -0.000 10.437) 10.454 11.045 ( 1.541 0.000 12.050) 12.148 11.123 ( 5.548 0.000 -1.503) 5.748 11.450 ( -4.040 -0.000 -6.164) 7.370 11.960 ( 1.964 0.000 1.728) 2.616 12.063 ( -0.707 -0.000 -3.442) 3.513 12.586 ( -3.043 -0.000 -2.219) 3.766 12.592 ( 3.467 0.000 2.156) 4.083 12.884 ( 1.122 0.000 14.243) 14.287 13.314 ( 0.915 0.000 -0.540) 1.063 13.459 ( 0.004 0.000 -10.233) 10.233 13.556 ( -2.293 -0.000 -11.147) 11.380 14.190 ( 2.263 0.000 -1.657) 2.805 14.200 ( -0.796 -0.000 1.074) 1.337 14.896 ( -3.685 -0.000 1.490) 3.975 15.115 ( -10.985 -0.000 -13.090) 17.089 15.250 ( 3.084 0.000 4.129) 5.153 15.571 ( -7.952 -0.000 -7.538) 10.957 16.304 ( -5.120 -0.000 5.284) 7.358 16.540 ( 6.076 0.000 0.005) 6.076 16.970 ( 1.272 0.000 11.322) 11.393 16.994 ( 6.160 0.000 5.225) 8.078 17.426 ( -1.610 -0.000 -4.086) 4.392 17.479 ( -1.523 -0.000 -2.122) 2.612 18.084 ( 3.560 0.000 18.360) 18.702 18.171 ( -0.671 -0.000 -3.884) 3.941 18.195 ( 1.080 0.000 4.869) 4.988 18.731 ( 6.941 0.000 2.000) 7.223 19.133 ( 8.377 0.000 5.083) 9.799 19.140 ( 4.456 0.000 8.910) 9.962 19.485 ( -4.240 -0.000 -9.450) 10.358 19.650 ( -9.100 -0.000 -4.774) 10.276 19.759 ( 6.810 0.000 -6.975) 9.748 20.041 ( -0.935 -0.000 -8.912) 8.961 21.611 ( -1.236 -0.000 1.004) 1.593 21.658 ( 1.000 0.000 -1.297) 1.637 21.797 ( 0.678 0.000 3.928) 3.986 21.950 ( -4.818 -0.000 -1.714) 5.114 27.727 ( -0.400 -0.000 0.827) 0.918 27.757 ( 0.930 0.000 -0.856) 1.264 27.897 ( 0.904 0.000 0.220) 0.931 27.931 ( -1.608 -0.000 -1.367) 2.111 35.478 ( 4.473 0.000 1.372) 4.679 35.588 ( -6.397 -0.000 -4.231) 7.670 37.271 ( 4.888 0.000 15.179) 15.946 37.397 ( 2.350 0.000 9.534) 9.819 38.874 ( 5.183 0.000 3.926) 6.502 39.072 ( 1.499 0.000 8.931) 9.056 39.762 ( 6.012 0.000 -15.452) 16.580 39.800 ( -4.518 -0.000 -26.169) 26.556 ======================= Grid point 232 (121/150) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 1.951 -0.289 5.531) 5.872 0.945 ( -1.790 0.423 -8.552) 8.748 1.239 ( 1.931 -0.945 4.575) 5.055 1.319 ( -0.908 -4.464 -4.658) 6.515 1.814 ( -3.052 -0.600 6.936) 7.601 1.852 ( -5.543 -0.168 1.493) 5.742 2.192 ( -7.660 -1.993 -8.730) 11.784 2.208 ( 10.961 -1.777 8.612) 14.052 2.986 ( -15.187 2.714 -9.724) 18.237 3.172 ( 13.235 3.895 1.795) 13.913 3.867 ( -6.244 -0.079 2.244) 6.635 4.090 ( 2.776 -3.964 -5.283) 7.164 4.493 ( -30.659 -1.117 -7.956) 31.694 4.924 ( 9.461 -0.983 0.090) 9.512 5.112 ( 5.449 1.314 20.207) 20.970 5.459 ( -0.022 7.456 -8.224) 11.101 5.574 ( -13.052 -2.995 -13.329) 18.894 5.706 ( 5.729 -1.924 -5.226) 7.990 6.200 ( -2.574 13.079 -0.537) 13.341 6.220 ( 3.526 16.464 10.752) 19.977 6.435 ( -18.678 -4.555 -15.134) 24.467 6.449 ( 5.608 2.504 -1.140) 6.247 6.831 ( 0.285 -19.888 5.596) 20.662 7.117 ( 6.004 -12.005 -4.997) 14.323 7.267 ( 5.269 1.174 8.629) 10.178 7.513 ( 2.844 -2.494 -10.450) 11.114 7.884 ( 5.528 -4.883 13.563) 15.439 8.102 ( 7.527 -0.181 0.281) 7.534 8.477 ( -10.942 0.379 7.985) 13.551 8.946 ( 13.237 4.883 0.845) 14.135 9.055 ( 10.732 0.474 13.811) 17.497 9.250 ( -9.534 2.228 -14.665) 17.633 10.339 ( -5.066 0.883 -1.584) 5.381 10.379 ( 5.264 1.880 5.322) 7.718 10.986 ( -3.689 1.697 5.231) 6.622 11.163 ( 5.844 1.197 -1.036) 6.054 11.200 ( 3.577 2.583 9.700) 10.656 11.335 ( -2.703 2.623 -6.701) 7.687 11.994 ( 2.521 0.012 1.846) 3.124 12.023 ( -1.169 -0.623 -3.717) 3.946 12.512 ( -3.609 3.524 0.709) 5.094 12.620 ( 1.559 2.210 -1.509) 3.097 12.975 ( 0.478 5.097 9.089) 10.432 13.150 ( -1.980 14.011 -8.750) 16.637 13.451 ( 1.001 -10.503 5.376) 11.842 13.601 ( -2.301 -13.773 -8.915) 16.567 14.140 ( -9.592 -0.843 -2.687) 9.997 14.184 ( -1.584 -1.048 1.209) 2.251 14.927 ( 6.773 -1.734 7.020) 9.907 14.989 ( -3.370 -3.840 -7.649) 9.198 15.325 ( -2.948 2.101 3.121) 4.779 15.475 ( 4.306 -2.976 -1.849) 5.551 16.262 ( -1.419 10.067 9.177) 13.696 16.532 ( 3.549 4.350 -7.348) 9.248 16.978 ( 3.155 5.826 5.788) 8.798 17.054 ( -4.988 13.300 -9.304) 16.981 17.388 ( 0.878 -14.589 13.414) 19.838 17.592 ( -0.565 -13.228 -4.879) 14.110 18.135 ( 0.272 0.408 5.227) 5.250 18.209 ( -0.922 -6.691 -3.902) 7.800 18.400 ( 4.136 -1.351 16.523) 17.086 18.750 ( 3.568 2.690 -10.660) 11.558 19.203 ( -2.521 1.348 2.238) 3.631 19.226 ( -0.150 1.852 3.202) 3.702 19.325 ( -1.884 5.182 -4.520) 7.130 19.399 ( -6.387 7.604 -9.970) 14.072 19.860 ( 5.666 -4.937 4.284) 8.651 19.970 ( -1.442 -3.132 -8.477) 9.151 21.607 ( -1.070 0.037 0.953) 1.433 21.653 ( 0.954 0.689 -0.905) 1.485 21.861 ( 1.335 -0.387 4.992) 5.182 21.888 ( -2.939 -0.622 -1.691) 3.447 27.737 ( -0.080 -0.723 0.593) 0.939 27.762 ( 0.771 -0.538 -0.876) 1.285 27.904 ( -1.023 -0.033 -0.727) 1.256 27.913 ( 1.117 0.006 0.402) 1.187 35.520 ( -3.282 -2.906 -2.728) 5.163 35.581 ( 6.865 -3.386 2.009) 7.914 37.354 ( -3.619 9.283 8.133) 12.861 37.494 ( 5.030 -0.717 5.036) 7.154 38.983 ( 5.127 1.620 6.737) 8.620 39.125 ( 0.369 1.777 -4.816) 5.147 39.517 ( -7.857 -4.615 -14.285) 16.944 39.743 ( 6.232 -6.827 -11.147) 14.482 ======================= Grid point 233 (122/150) ======================= q-point: (-0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -5.594 2.080 -7.988) 9.971 0.939 ( 2.506 -2.832 3.159) 4.928 1.297 ( -1.283 -1.269 4.235) 4.603 1.345 ( 0.429 -6.375 -4.503) 7.816 1.803 ( -5.576 0.088 2.816) 6.248 1.877 ( -4.627 -1.946 8.676) 10.023 2.083 ( -3.308 -3.591 -8.417) 9.731 2.510 ( 15.806 -5.240 11.568) 20.276 2.713 ( -11.992 1.640 -9.365) 15.303 3.205 ( 3.636 8.979 2.883) 10.107 3.738 ( -14.466 4.758 -2.676) 15.462 4.059 ( -19.128 -6.717 -13.125) 24.151 4.165 ( -14.205 -5.923 -8.263) 17.468 4.773 ( -20.980 -6.958 -13.958) 26.142 5.092 ( -4.587 -2.416 -4.984) 7.191 5.283 ( -11.772 -2.906 2.666) 12.415 5.466 ( 1.159 10.933 -4.628) 11.928 5.827 ( -3.411 -0.042 -0.831) 3.511 5.948 ( 6.882 7.684 0.669) 10.337 6.127 ( 1.016 9.847 0.950) 9.944 6.340 ( -2.366 -5.425 6.033) 8.451 6.566 ( 2.912 -3.145 7.185) 8.366 7.100 ( 5.290 -11.855 -1.174) 13.035 7.190 ( 0.535 7.176 -1.895) 7.441 7.266 ( -3.404 -11.299 -2.709) 12.108 7.658 ( 10.602 2.422 2.222) 11.100 8.146 ( 4.773 -0.254 3.341) 5.831 8.267 ( 14.345 -3.396 10.450) 18.070 8.522 ( 3.309 -4.788 8.912) 10.644 8.958 ( -4.569 6.442 -15.854) 17.712 9.032 ( 15.705 3.900 -2.193) 16.330 9.286 ( 9.314 5.846 18.035) 21.123 10.251 ( -3.413 2.218 -2.898) 4.997 10.464 ( 6.472 1.944 5.396) 8.648 10.947 ( -5.210 1.970 1.352) 5.731 11.088 ( -1.019 8.054 -3.328) 8.774 11.243 ( 1.765 0.001 -5.454) 5.733 11.320 ( 7.133 2.192 9.137) 11.797 11.971 ( -1.574 -0.154 -5.303) 5.533 12.060 ( 3.222 -2.167 1.687) 4.234 12.403 ( -5.635 4.079 -3.407) 7.746 12.582 ( 2.217 3.553 1.010) 4.308 12.901 ( -3.132 9.097 -4.953) 10.821 12.970 ( 0.629 4.829 4.141) 6.393 13.635 ( -3.896 -6.603 -5.379) 9.365 13.679 ( -1.669 -9.746 9.101) 13.438 14.071 ( -5.540 -7.093 -1.002) 9.056 14.240 ( -1.009 -6.141 3.876) 7.331 14.864 ( -7.912 2.119 -8.648) 11.911 15.185 ( 5.035 5.681 5.197) 9.200 15.270 ( 5.067 -8.561 7.917) 12.714 15.688 ( 13.617 -6.165 5.147) 15.809 16.145 ( -2.375 15.395 2.236) 15.737 16.400 ( 7.663 13.908 -2.013) 16.007 16.799 ( -8.087 0.449 -3.620) 8.872 17.000 ( 0.811 1.130 3.462) 3.730 17.663 ( -1.152 -8.951 3.160) 9.562 17.703 ( 0.293 -9.951 -3.123) 10.434 18.231 ( -0.417 -1.693 9.620) 9.777 18.241 ( -0.366 -7.805 -8.285) 11.388 18.500 ( -4.084 6.652 -20.269) 21.720 18.566 ( 2.042 -0.249 8.901) 9.136 19.026 ( -10.550 4.773 -6.831) 13.444 19.033 ( -10.898 4.433 -9.077) 14.860 19.291 ( 0.654 4.947 3.108) 5.879 19.349 ( 2.926 1.140 5.481) 6.317 19.908 ( -1.233 -2.521 -7.468) 7.978 20.063 ( 5.260 -6.417 6.800) 10.728 21.606 ( -0.629 -0.030 0.738) 0.970 21.646 ( 0.642 0.663 -0.229) 0.951 21.829 ( -2.953 -0.044 -1.895) 3.509 21.967 ( 3.747 -0.612 6.145) 7.223 27.743 ( -0.280 -0.756 -0.551) 0.976 27.786 ( 1.467 -1.648 0.416) 2.245 27.898 ( -0.127 -0.305 0.048) 0.333 27.923 ( 0.645 0.764 0.561) 1.147 35.540 ( -0.599 -6.006 -1.117) 6.138 35.730 ( 7.423 -3.300 2.047) 8.378 37.173 ( -10.646 11.358 1.759) 15.666 37.561 ( 8.786 3.724 -4.238) 10.442 38.907 ( -4.995 4.471 -14.908) 16.346 39.045 ( 2.439 4.150 3.943) 6.223 39.528 ( -7.283 -13.343 1.099) 15.240 39.877 ( 7.503 -11.857 -3.458) 14.451 ======================= Grid point 234 (123/150) ======================= q-point: (-0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -7.702 2.272 -9.193) 12.206 1.046 ( 2.803 -3.317 3.423) 5.529 1.333 ( -1.304 -1.161 2.965) 3.441 1.402 ( -0.978 -7.497 -2.647) 8.010 1.777 ( -4.468 0.090 2.989) 5.377 1.926 ( -7.373 -2.051 7.501) 10.716 2.040 ( -0.234 -1.397 -3.824) 4.078 2.498 ( -5.885 1.289 -11.156) 12.679 2.864 ( 13.967 -7.633 6.119) 17.052 3.116 ( -5.661 4.436 8.289) 10.974 3.441 ( -27.116 -7.543 -11.695) 30.479 3.708 ( -12.267 -3.701 -15.298) 19.956 4.137 ( -3.818 -5.046 -4.975) 8.049 4.713 ( -12.331 -8.529 1.947) 15.119 4.996 ( -9.720 1.431 -0.546) 9.840 5.077 ( -14.634 2.363 -14.335) 20.621 5.285 ( 1.330 7.836 -2.625) 8.370 5.757 ( -1.902 -8.743 -4.616) 10.068 6.007 ( 6.011 9.625 1.011) 11.393 6.122 ( 3.395 -2.871 10.145) 11.077 6.469 ( -3.492 -5.826 3.974) 7.869 6.707 ( 0.395 -7.211 5.002) 8.785 7.154 ( 6.536 11.151 6.032) 14.263 7.235 ( -7.925 -13.925 -6.379) 17.246 7.312 ( 4.472 0.527 -1.460) 4.734 7.671 ( 12.055 9.782 2.624) 15.745 8.102 ( -6.890 -0.891 -2.737) 7.467 8.387 ( -0.077 10.294 -3.890) 11.005 8.728 ( 5.076 -0.620 4.286) 6.672 8.798 ( 10.099 3.916 -2.595) 11.139 9.160 ( 16.243 2.159 -0.037) 16.386 9.463 ( 8.866 4.473 15.396) 18.321 10.167 ( -0.829 2.102 -2.769) 3.574 10.582 ( 7.579 0.725 6.465) 9.989 10.865 ( -2.522 3.823 -0.165) 4.583 10.962 ( -5.735 5.454 3.870) 8.810 11.247 ( 4.361 -1.981 -3.578) 5.979 11.474 ( 8.703 0.151 8.178) 11.943 11.883 ( -1.756 0.858 -7.857) 8.096 12.138 ( 1.906 -2.448 0.182) 3.107 12.250 ( -4.550 2.310 -5.272) 7.337 12.609 ( 1.715 1.226 4.108) 4.617 12.744 ( -3.217 3.555 -1.511) 5.027 12.981 ( 2.742 0.356 3.175) 4.210 13.599 ( -3.414 0.675 -0.323) 3.495 13.819 ( -2.730 -4.900 6.334) 8.461 14.173 ( -0.795 -11.407 -0.438) 11.443 14.367 ( -0.031 -4.758 4.568) 6.596 14.615 ( -11.521 2.703 -9.951) 15.462 15.115 ( -1.396 1.232 -4.254) 4.644 15.486 ( 4.906 5.763 -4.609) 8.861 15.972 ( 11.192 -4.523 6.669) 13.791 16.013 ( 9.821 7.526 12.019) 17.250 16.336 ( 5.824 11.310 7.201) 14.618 16.759 ( -4.317 -4.673 0.086) 6.362 17.065 ( -0.477 -4.759 5.884) 7.583 17.589 ( -6.204 7.343 -12.868) 16.062 17.770 ( -0.478 -5.205 -3.649) 6.375 18.089 ( -7.586 0.871 -12.932) 15.019 18.244 ( -3.454 3.843 4.577) 6.903 18.458 ( 1.622 -5.814 1.747) 6.284 18.622 ( -0.173 2.211 0.143) 2.223 18.798 ( -8.942 1.627 -7.610) 11.854 18.879 ( -4.494 -8.076 -2.895) 9.685 19.243 ( -2.097 5.106 2.216) 5.947 19.380 ( -1.652 -0.302 -0.357) 1.717 19.870 ( 1.575 -0.868 -4.795) 5.121 20.254 ( 3.581 -5.184 5.723) 8.512 21.607 ( -0.259 0.047 0.313) 0.409 21.648 ( 0.257 -0.033 0.582) 0.638 21.784 ( -2.188 0.102 -1.586) 2.704 22.066 ( 3.573 0.856 5.511) 6.623 27.751 ( 0.559 -0.719 -0.210) 0.934 27.831 ( 1.154 -2.080 0.240) 2.391 27.900 ( 0.414 1.182 0.463) 1.335 27.922 ( -0.192 0.281 0.784) 0.854 35.630 ( 1.239 -6.950 -0.096) 7.060 35.840 ( 4.805 -0.467 1.428) 5.034 36.910 ( -14.707 9.229 2.522) 17.545 37.505 ( 10.523 5.202 -15.241) 19.238 38.718 ( -4.277 3.022 -2.314) 5.725 39.027 ( 0.459 5.024 2.308) 5.548 39.659 ( -4.385 -15.295 -0.934) 15.939 40.095 ( 5.914 -12.214 -1.738) 13.682 ======================= Grid point 240 (124/150) ======================= q-point: (-0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -3.518 -0.000 -9.980) 10.582 0.869 ( -1.214 -0.000 4.327) 4.494 1.226 ( -1.083 -0.000 -3.497) 3.661 1.304 ( 1.489 0.000 3.291) 3.612 1.808 ( -4.680 -0.000 1.544) 4.928 1.842 ( -5.895 -0.000 8.647) 10.465 2.021 ( -4.082 -0.000 -7.758) 8.766 2.451 ( 14.806 0.000 11.843) 18.960 2.744 ( -13.508 -0.000 -9.026) 16.246 3.371 ( 9.822 0.000 5.398) 11.208 3.785 ( -10.528 -0.000 -1.525) 10.638 3.965 ( -23.536 -0.000 2.146) 23.633 4.111 ( -12.229 -0.000 -11.361) 16.692 4.622 ( -50.510 -0.000 -39.221) 63.950 5.062 ( 4.698 0.000 -3.104) 5.631 5.204 ( -8.474 -0.000 7.764) 11.493 5.701 ( -8.461 -0.000 -8.606) 12.069 5.728 ( 4.077 0.000 9.905) 10.712 6.020 ( -7.211 -0.000 -0.919) 7.269 6.278 ( -10.806 -0.000 -1.209) 10.873 6.559 ( 2.729 0.000 0.621) 2.799 6.576 ( 4.561 0.000 1.156) 4.705 6.651 ( 10.717 0.000 5.040) 11.843 6.984 ( -0.755 -0.000 -7.974) 8.010 7.501 ( 16.458 0.000 -2.344) 16.624 7.618 ( 15.140 0.000 17.263) 22.962 8.161 ( 8.526 0.000 -5.406) 10.096 8.193 ( 23.971 0.000 19.964) 31.195 8.449 ( -6.063 -0.000 7.158) 9.381 9.036 ( -5.512 -0.000 -12.102) 13.298 9.088 ( 16.299 0.000 -8.547) 18.404 9.365 ( 9.515 0.000 19.095) 21.335 10.282 ( -3.777 -0.000 -2.130) 4.336 10.495 ( 5.736 0.000 4.240) 7.133 10.978 ( -5.132 -0.000 1.747) 5.421 11.195 ( 4.442 0.000 -5.759) 7.273 11.263 ( -1.526 -0.000 -7.972) 8.117 11.369 ( 4.914 0.000 9.223) 10.451 11.972 ( -1.660 -0.000 -2.799) 3.254 12.032 ( 2.127 0.000 1.465) 2.583 12.482 ( -6.350 -0.000 -0.442) 6.365 12.628 ( -0.769 -0.000 -2.795) 2.899 13.110 ( -3.885 -0.000 11.916) 12.533 13.159 ( -4.192 -0.000 -11.715) 12.442 13.381 ( 0.532 0.000 -5.012) 5.041 13.433 ( 3.932 0.000 5.834) 7.035 14.008 ( -11.079 -0.000 0.296) 11.083 14.129 ( -5.801 -0.000 0.077) 5.801 14.996 ( 0.633 0.000 6.836) 6.865 15.034 ( 9.798 0.000 6.289) 11.642 15.424 ( 6.727 0.000 -3.596) 7.628 15.489 ( 5.991 0.000 11.709) 13.153 16.390 ( 0.249 0.000 5.286) 5.292 16.537 ( 2.796 0.000 -4.038) 4.912 17.067 ( -4.032 -0.000 -12.294) 12.939 17.069 ( -4.399 -0.000 -3.050) 5.353 17.365 ( 1.506 0.000 9.453) 9.572 17.406 ( 1.367 0.000 0.861) 1.616 18.126 ( -0.683 -0.000 0.945) 1.166 18.205 ( 2.771 0.000 1.663) 3.232 18.561 ( 0.274 0.000 10.297) 10.301 18.616 ( -0.806 -0.000 -27.454) 27.466 19.066 ( -10.620 -0.000 -8.240) 13.442 19.149 ( -12.038 -0.000 -4.974) 13.025 19.374 ( -0.654 -0.000 2.177) 2.273 19.395 ( -2.923 -0.000 7.491) 8.041 19.875 ( 1.485 0.000 -6.579) 6.745 19.932 ( 6.029 0.000 5.377) 8.078 21.607 ( -0.830 -0.000 1.182) 1.444 21.658 ( 0.707 0.000 -1.027) 1.247 21.833 ( -2.023 -0.000 -1.839) 2.734 21.952 ( 3.643 0.000 7.051) 7.936 27.734 ( -0.203 -0.000 0.126) 0.238 27.759 ( 1.021 0.000 -0.722) 1.250 27.889 ( -0.371 -0.000 -0.175) 0.410 27.934 ( 1.224 0.000 0.862) 1.497 35.454 ( -0.745 -0.000 -1.905) 2.046 35.676 ( 9.362 0.000 3.591) 10.027 37.380 ( -5.869 -0.000 -4.945) 7.674 37.576 ( 3.210 0.000 -0.009) 3.210 38.967 ( -5.979 -0.000 -22.729) 23.502 39.105 ( 2.263 0.000 4.354) 4.907 39.339 ( -7.987 -0.000 6.179) 10.099 39.699 ( 7.306 0.000 -2.227) 7.638 ======================= Grid point 241 (125/150) ======================= q-point: (-0.25 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -5.643 3.058 -10.464) 12.276 0.924 ( -1.643 -5.253 3.728) 6.648 1.220 ( -1.985 -3.804 -1.178) 4.450 1.329 ( -1.004 0.476 3.013) 3.211 1.778 ( -4.086 0.093 2.443) 4.762 1.859 ( -11.080 -2.234 10.455) 15.396 1.952 ( 0.808 -2.739 -6.451) 7.055 2.524 ( -8.682 -2.163 -6.751) 11.209 2.770 ( 16.032 0.078 11.023) 19.456 3.348 ( -50.061 9.375 -19.536) 54.549 3.397 ( -5.576 8.705 2.054) 10.540 3.635 ( -10.435 -2.565 -2.344) 10.999 4.022 ( -0.975 -2.421 -2.830) 3.850 4.195 ( -22.118 -25.172 1.104) 33.526 5.062 ( -1.414 1.050 -0.357) 1.797 5.113 ( -10.648 0.510 -7.162) 12.843 5.431 ( -14.287 2.214 -8.932) 16.994 5.697 ( -9.189 5.407 -3.082) 11.098 6.059 ( -2.517 -3.949 7.588) 8.917 6.143 ( -8.985 -2.030 -1.129) 9.280 6.500 ( 3.480 11.037 7.838) 13.977 6.641 ( 6.051 2.876 -0.869) 6.756 6.834 ( 5.171 -9.685 -3.218) 11.441 7.075 ( 5.460 -15.548 -4.458) 17.072 7.591 ( 18.738 13.882 2.134) 23.417 7.882 ( 9.091 3.466 8.764) 13.095 8.158 ( -0.049 2.596 -3.280) 4.183 8.516 ( 7.692 -0.556 6.599) 10.150 8.670 ( 16.530 -1.636 12.735) 20.931 8.883 ( 5.384 2.365 -9.713) 11.354 9.210 ( 18.162 1.117 -1.632) 18.269 9.555 ( 3.900 2.282 7.244) 8.538 10.216 ( -1.757 1.174 -3.235) 3.864 10.601 ( 6.827 0.631 5.037) 8.507 10.923 ( -4.859 1.360 1.007) 5.146 11.091 ( -1.580 2.610 -10.892) 11.311 11.211 ( 2.719 -0.448 -4.818) 5.551 11.504 ( 6.616 1.203 8.418) 10.774 11.920 ( -1.885 1.359 -3.560) 4.251 12.079 ( 2.097 -1.400 1.426) 2.897 12.351 ( -8.258 4.380 -3.329) 9.923 12.596 ( -2.679 -2.285 0.525) 3.561 12.925 ( -3.475 8.650 -8.278) 12.467 13.112 ( -2.872 7.574 9.281) 12.319 13.444 ( 0.687 -10.288 -3.531) 10.899 13.638 ( 1.464 -8.808 9.815) 13.269 13.938 ( -7.419 -3.591 2.381) 8.579 14.109 ( -4.261 -7.280 -1.340) 8.541 14.900 ( -7.093 12.825 3.491) 15.065 15.270 ( 8.009 2.741 0.683) 8.493 15.507 ( 17.267 0.840 11.979) 21.032 15.796 ( 11.086 -8.246 12.419) 18.578 16.321 ( 1.495 12.086 -2.649) 12.463 16.592 ( 6.083 -1.774 2.439) 6.790 16.722 ( -6.830 11.180 -6.811) 14.766 17.046 ( -4.198 0.215 -0.330) 4.216 17.458 ( 2.440 -10.742 -5.799) 12.449 17.574 ( -1.229 -8.380 1.978) 8.697 18.137 ( -2.027 1.868 -8.716) 9.141 18.238 ( -3.682 -0.137 -13.849) 14.331 18.284 ( -0.516 -5.368 -3.015) 6.178 18.595 ( -3.149 -1.029 -1.250) 3.541 18.866 ( -9.849 2.119 -6.005) 11.729 18.941 ( -11.202 4.164 -4.658) 12.827 19.373 ( -3.176 3.187 5.720) 7.277 19.404 ( -5.521 1.709 6.029) 8.352 19.851 ( 3.038 0.243 -3.305) 4.496 20.089 ( 4.461 -5.797 5.328) 9.049 21.611 ( -0.453 0.212 1.162) 1.265 21.651 ( 0.145 0.051 -0.748) 0.764 21.800 ( -0.789 0.825 -0.987) 1.509 22.071 ( 5.123 -0.219 6.237) 8.074 27.733 ( 0.138 -0.357 -0.135) 0.406 27.777 ( 1.202 -1.462 -0.369) 1.929 27.895 ( 0.257 -0.635 0.365) 0.776 27.949 ( 0.532 0.791 0.916) 1.322 35.469 ( 1.308 -3.607 -0.850) 3.930 35.832 ( 10.011 -0.634 4.498) 10.993 37.161 ( -11.219 9.315 -7.723) 16.501 37.500 ( -0.526 -5.463 -22.797) 23.449 38.755 ( -4.551 0.213 -3.648) 5.836 39.107 ( -0.350 1.039 -2.571) 2.795 39.376 ( -7.376 -4.948 9.569) 13.056 39.847 ( 7.036 -5.495 6.070) 10.796 ======================= Grid point 242 (126/150) ======================= q-point: (-0.12 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -5.508 2.758 -8.464) 10.468 1.035 ( -0.235 -6.344 3.823) 7.411 1.240 ( -6.123 -6.596 0.774) 9.033 1.342 ( -1.279 -0.021 2.588) 2.887 1.765 ( -3.220 0.022 2.715) 4.212 1.853 ( -8.677 -1.741 4.657) 10.001 2.009 ( 2.993 -5.358 2.002) 6.455 2.474 ( -3.307 -4.891 2.219) 6.307 2.617 ( -31.994 -0.852 -7.163) 32.797 3.042 ( 4.946 -2.360 4.331) 6.985 3.276 ( -3.287 4.084 8.648) 10.113 3.590 ( -3.012 -1.872 -2.716) 4.467 4.043 ( 0.677 -1.297 1.795) 2.316 4.435 ( -13.107 -24.024 11.371) 29.636 4.806 ( -12.218 5.286 -20.785) 24.683 4.973 ( -5.270 6.501 0.508) 8.384 5.237 ( -8.540 -1.561 -3.199) 9.252 5.547 ( -7.029 -4.279 -0.735) 8.262 6.074 ( -3.870 1.042 -3.145) 5.094 6.182 ( -3.322 -6.118 8.553) 11.028 6.409 ( -5.498 0.221 0.956) 5.585 6.767 ( 6.448 -1.718 6.345) 9.208 6.956 ( 1.485 -7.958 -4.231) 9.134 7.267 ( 5.928 -6.299 -1.816) 8.839 7.551 ( 16.260 18.453 -5.866) 25.285 7.953 ( -0.423 2.861 5.048) 5.817 8.055 ( 3.193 8.098 0.345) 8.711 8.502 ( 1.734 12.970 -5.666) 14.260 8.794 ( 4.346 -1.572 3.721) 5.933 8.945 ( 11.581 3.294 -5.968) 13.439 9.354 ( 9.125 5.729 -2.671) 11.100 9.634 ( 7.069 -3.590 4.520) 9.126 10.164 ( 1.094 1.494 -2.692) 3.267 10.713 ( 5.573 0.599 4.262) 7.042 10.893 ( -0.953 0.781 3.157) 3.389 10.958 ( -4.327 1.553 -4.068) 6.139 11.220 ( 2.826 -2.722 -3.774) 5.443 11.650 ( 7.913 0.620 7.944) 11.230 11.820 ( -1.738 2.431 -6.090) 6.783 12.080 ( -6.771 0.360 -4.855) 8.340 12.221 ( 0.597 1.117 0.221) 1.286 12.656 ( -0.870 -2.732 6.686) 7.275 12.733 ( -2.978 4.867 -4.511) 7.274 13.078 ( -1.082 5.262 6.646) 8.545 13.537 ( 0.616 -5.808 -2.090) 6.203 13.794 ( -3.756 -4.532 8.266) 10.148 13.992 ( -4.000 -10.813 -0.040) 11.529 14.220 ( 1.571 -11.076 -1.326) 11.265 14.633 ( -10.133 13.899 3.524) 17.558 15.190 ( 2.896 13.420 -2.688) 13.990 15.665 ( 11.191 14.291 -6.882) 19.412 16.035 ( 2.891 -4.140 4.704) 6.901 16.309 ( 9.862 1.403 5.272) 11.271 16.548 ( 2.755 7.322 4.348) 8.950 16.697 ( -1.307 -1.840 1.019) 2.476 17.058 ( 0.736 -6.399 8.082) 10.335 17.453 ( -6.561 5.335 -14.234) 16.557 17.600 ( 3.833 -12.497 -7.284) 14.964 17.922 ( -4.400 -1.399 -6.507) 7.978 18.241 ( 1.502 -2.441 -2.410) 3.744 18.418 ( -6.698 -8.042 3.525) 11.044 18.534 ( -0.872 -0.913 -0.521) 1.366 18.720 ( -4.634 -1.639 -3.380) 5.965 18.758 ( -6.043 2.424 -3.324) 7.310 19.330 ( -4.604 6.940 6.777) 10.737 19.351 ( -4.675 2.267 1.689) 5.463 19.859 ( 3.072 -0.005 -2.399) 3.898 20.253 ( 1.648 -6.243 4.275) 7.744 21.612 ( -0.150 0.410 0.533) 0.689 21.651 ( -0.056 -0.387 0.281) 0.482 21.770 ( -0.669 1.605 -0.324) 1.769 22.161 ( 3.508 1.060 2.823) 4.626 27.749 ( 0.923 -0.850 0.001) 1.255 27.808 ( 0.790 -2.254 -0.721) 2.495 27.912 ( 0.051 -0.782 0.276) 0.831 27.943 ( -0.045 1.712 1.115) 2.044 35.549 ( 1.904 -6.560 -0.819) 6.880 35.955 ( 6.860 3.543 4.304) 8.839 36.837 ( -16.883 4.559 -1.703) 17.570 37.365 ( 4.982 -8.548 -26.970) 28.727 38.748 ( 0.956 2.358 5.331) 5.907 39.055 ( -0.617 0.360 -3.884) 3.949 39.498 ( -3.106 -7.474 10.181) 13.006 40.052 ( 5.085 -5.542 5.736) 9.459 ======================= Grid point 249 (127/150) ======================= q-point: (-0.25 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -4.369 -0.000 -7.998) 9.113 0.890 ( -4.139 -0.000 6.954) 8.092 1.182 ( -2.758 -0.000 1.902) 3.351 1.341 ( -3.089 -0.000 3.094) 4.373 1.764 ( -2.936 -0.000 2.278) 3.716 1.825 ( -13.907 -0.000 17.273) 22.175 1.900 ( 3.054 0.000 -4.302) 5.276 2.226 ( -30.415 -0.000 -3.727) 30.642 2.862 ( -15.763 -0.000 -6.201) 16.939 3.048 ( 13.617 0.000 9.047) 16.348 3.374 ( -25.386 -0.000 9.709) 27.179 3.582 ( -0.680 -0.000 2.773) 2.856 3.865 ( -8.687 -0.000 6.709) 10.976 4.037 ( 2.497 0.000 6.157) 6.644 4.884 ( -11.873 -0.000 -17.952) 21.523 5.036 ( -1.867 -0.000 -1.790) 2.586 5.236 ( -11.869 -0.000 -0.530) 11.881 5.614 ( -9.879 -0.000 -4.312) 10.779 5.961 ( -9.877 -0.000 3.091) 10.349 6.065 ( -6.712 -0.000 5.600) 8.741 6.599 ( -9.728 -0.000 0.318) 9.733 6.713 ( 5.563 0.000 -4.201) 6.971 6.859 ( 8.543 0.000 -0.958) 8.597 7.043 ( 19.100 0.000 -2.695) 19.290 7.868 ( 15.122 0.000 -3.158) 15.448 8.019 ( -4.903 -0.000 8.912) 10.172 8.186 ( 9.507 0.000 -6.956) 11.780 8.665 ( 9.331 0.000 7.869) 12.206 8.770 ( 2.648 0.000 -5.660) 6.249 8.986 ( 13.156 0.000 -5.134) 14.123 9.482 ( 20.590 0.000 9.952) 22.869 9.534 ( -4.979 -0.000 -11.819) 12.825 10.187 ( 1.069 0.000 -2.964) 3.151 10.726 ( 6.172 0.000 4.772) 7.802 10.903 ( -5.291 -0.000 4.481) 6.933 10.955 ( 0.064 0.000 -13.454) 13.454 11.190 ( 1.561 0.000 -4.765) 5.014 11.663 ( 7.471 0.000 7.374) 10.497 11.861 ( -3.167 -0.000 -5.279) 6.156 12.081 ( -3.426 -0.000 -1.108) 3.600 12.273 ( -5.410 -0.000 -1.741) 5.684 12.562 ( -1.914 -0.000 6.448) 6.726 12.858 ( -3.136 -0.000 -9.169) 9.690 13.220 ( -6.511 -0.000 10.481) 12.338 13.375 ( 3.037 0.000 -0.564) 3.089 13.692 ( 0.247 0.000 7.463) 7.468 13.864 ( -6.557 -0.000 3.582) 7.472 14.039 ( 2.765 0.000 3.299) 4.304 14.898 ( -13.530 -0.000 -0.264) 13.532 15.499 ( 16.356 0.000 0.577) 16.366 15.716 ( 8.987 0.000 5.901) 10.752 16.044 ( 14.271 0.000 10.412) 17.666 16.378 ( 2.360 0.000 -10.391) 10.655 16.595 ( 0.565 0.000 5.088) 5.119 16.763 ( 2.924 0.000 -3.813) 4.805 16.922 ( -1.586 -0.000 -0.475) 1.656 17.397 ( -6.114 -0.000 -13.664) 14.969 17.479 ( 1.289 0.000 1.602) 2.056 17.885 ( -5.614 -0.000 -12.417) 13.627 18.199 ( -2.182 -0.000 4.813) 5.284 18.251 ( 1.281 0.000 -2.891) 3.162 18.513 ( -2.539 -0.000 -3.285) 4.152 18.749 ( -6.265 -0.000 -3.707) 7.279 18.788 ( -11.288 -0.000 -5.226) 12.439 19.411 ( -7.097 -0.000 7.017) 9.980 19.423 ( -4.808 -0.000 8.529) 9.790 19.880 ( 2.138 0.000 1.107) 2.408 20.128 ( 3.236 0.000 2.673) 4.198 21.623 ( -0.314 -0.000 1.610) 1.640 21.641 ( -0.177 -0.000 -0.874) 0.892 21.803 ( 0.699 0.000 -0.351) 0.783 22.175 ( 5.331 0.000 2.269) 5.794 27.730 ( 0.220 0.000 0.001) 0.220 27.778 ( 1.380 0.000 -0.773) 1.582 27.894 ( 0.039 0.000 0.057) 0.069 27.968 ( 0.045 0.000 1.158) 1.159 35.458 ( 2.388 0.000 -0.979) 2.581 35.998 ( 10.633 0.000 6.293) 12.356 36.995 ( -21.445 -0.000 -25.509) 33.325 37.072 ( -5.275 -0.000 -12.108) 13.208 38.793 ( 3.765 0.000 5.758) 6.880 39.039 ( -0.855 -0.000 -8.749) 8.791 39.412 ( -4.716 -0.000 18.702) 19.288 39.979 ( 4.974 0.000 12.602) 13.548 ======================= Grid point 250 (128/150) ======================= q-point: (-0.12 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 3.667 4.736 1.323) 6.134 0.984 ( -2.348 -5.628 9.316) 11.134 1.168 ( -5.702 -0.035 5.219) 7.730 1.326 ( -4.396 -1.826 2.104) 5.204 1.761 ( -2.387 -0.057 2.678) 3.587 1.827 ( -9.597 2.653 6.334) 11.801 1.982 ( 1.474 -6.641 1.511) 6.968 2.186 ( -9.287 -13.470 33.592) 37.365 2.752 ( 6.982 9.637 5.737) 13.211 3.137 ( 0.119 6.143 5.225) 8.065 3.331 ( -5.379 -2.876 8.937) 10.820 3.508 ( -6.674 2.220 -1.964) 7.303 4.083 ( -9.210 -26.431 13.655) 31.143 4.167 ( 5.533 2.422 12.999) 14.334 4.540 ( -8.318 3.360 -22.198) 23.942 5.000 ( -0.163 1.287 0.301) 1.332 5.194 ( -3.003 2.580 7.260) 8.269 5.455 ( -6.725 1.632 1.251) 7.032 5.974 ( -9.655 -12.188 0.370) 15.553 6.075 ( -3.085 1.711 3.421) 4.914 6.372 ( -6.988 6.371 -4.268) 10.374 6.738 ( -2.161 -8.666 -9.381) 12.953 6.961 ( 5.775 1.234 3.012) 6.629 7.255 ( 14.553 -5.713 -2.817) 15.886 7.876 ( 11.964 11.207 -6.362) 17.585 7.974 ( -9.484 5.302 7.227) 13.049 8.188 ( 5.511 3.952 -5.089) 8.478 8.646 ( 4.069 11.554 -5.801) 13.553 8.860 ( 3.153 -2.864 4.077) 5.896 8.986 ( 7.112 1.858 -12.596) 14.584 9.284 ( -5.345 -0.348 -20.859) 21.535 9.742 ( 8.648 -0.906 4.033) 9.585 10.186 ( 4.037 1.132 -1.888) 4.598 10.795 ( 1.445 1.724 1.614) 2.769 10.869 ( 0.380 -0.982 -8.176) 8.244 10.923 ( -1.639 -2.152 6.251) 6.811 11.144 ( -0.840 -1.878 -6.812) 7.116 11.786 ( 2.292 1.990 0.279) 3.048 11.814 ( 5.039 -0.447 2.981) 5.872 11.932 ( -11.162 1.507 -5.552) 12.557 12.272 ( 3.538 0.689 1.820) 4.038 12.673 ( 0.128 -3.683 8.234) 9.021 12.733 ( -0.847 4.060 -4.161) 5.875 13.193 ( -5.878 5.989 7.895) 11.522 13.444 ( 1.801 -5.970 -1.742) 6.475 13.727 ( -5.581 -5.757 0.713) 8.050 13.877 ( -2.576 -3.003 6.104) 7.274 14.237 ( 10.348 -3.109 10.513) 15.075 14.673 ( -13.871 7.144 0.674) 15.617 15.412 ( 1.170 17.976 -8.543) 19.937 15.834 ( 3.649 5.539 -8.004) 10.395 16.032 ( -1.025 -0.280 -0.477) 1.165 16.306 ( 1.543 -1.344 -10.248) 10.450 16.539 ( -12.205 -0.361 -8.607) 14.938 16.787 ( 5.778 7.927 3.491) 10.412 17.125 ( 12.842 -11.634 8.089) 19.123 17.354 ( 5.156 -6.601 -0.765) 8.411 17.464 ( 2.413 -0.725 -2.948) 3.878 17.875 ( 3.341 -0.179 3.259) 4.670 18.208 ( 2.007 -0.483 -3.121) 3.742 18.232 ( -7.455 -4.938 -0.649) 8.966 18.514 ( -2.238 -6.106 -3.836) 7.550 18.644 ( -4.863 1.558 0.056) 5.106 18.727 ( 2.795 0.188 7.569) 8.071 19.376 ( -5.095 3.638 4.681) 7.817 19.440 ( -4.700 3.391 10.001) 11.559 19.886 ( 1.367 2.935 -0.446) 3.268 20.212 ( 0.097 -5.832 1.909) 6.137 21.624 ( -0.035 0.779 0.427) 0.889 21.647 ( -0.070 -0.819 0.901) 1.219 21.796 ( 0.454 2.022 0.058) 2.073 22.198 ( 0.506 0.586 -3.327) 3.416 27.745 ( 0.719 -0.895 0.130) 1.155 27.782 ( 0.520 -1.191 -1.417) 1.923 27.895 ( -0.567 -0.761 -0.549) 1.096 27.974 ( 0.087 0.948 1.364) 1.663 35.492 ( 2.023 -3.385 -1.299) 4.151 36.137 ( 6.294 4.193 6.245) 9.808 36.659 ( -14.584 -2.073 1.277) 14.786 36.996 ( 0.925 -12.466 -17.713) 21.680 38.829 ( 2.125 2.759 -2.641) 4.371 38.969 ( 0.289 -3.467 -8.150) 8.861 39.643 ( 7.398 0.863 23.828) 24.965 40.152 ( 2.819 -0.440 11.947) 12.283 ======================= Grid point 258 (129/150) ======================= q-point: (-0.12 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 9.106 0.000 2.498) 9.442 1.015 ( -2.691 -0.000 5.960) 6.540 1.205 ( -2.830 -0.000 11.029) 11.387 1.292 ( -4.778 -0.000 7.763) 9.115 1.765 ( -1.679 -0.000 2.961) 3.403 1.801 ( -13.709 -0.000 11.998) 18.218 2.013 ( 10.783 0.000 2.967) 11.184 2.411 ( 4.802 0.000 12.601) 13.485 3.076 ( 16.057 0.000 18.840) 24.755 3.283 ( 0.252 0.000 10.816) 10.819 3.291 ( -6.000 -0.000 6.439) 8.801 3.485 ( -12.109 -0.000 10.753) 16.195 3.937 ( -0.565 -0.000 20.309) 20.317 4.269 ( -8.565 -0.000 -6.131) 10.533 4.464 ( 14.971 0.000 7.903) 16.929 5.079 ( 6.181 0.000 8.951) 10.878 5.326 ( 3.060 0.000 14.753) 15.067 5.441 ( -2.326 -0.000 -0.209) 2.336 5.759 ( -11.024 -0.000 -0.019) 11.024 6.103 ( -2.018 -0.000 -2.729) 3.395 6.343 ( -3.953 -0.000 2.664) 4.766 6.428 ( -6.009 -0.000 -22.184) 22.983 7.058 ( 2.957 0.000 3.557) 4.625 7.354 ( 12.761 0.000 -2.398) 12.985 7.954 ( -11.259 -0.000 7.059) 13.289 7.968 ( 4.671 0.000 -7.784) 9.078 8.210 ( -0.608 -0.000 -6.738) 6.766 8.681 ( -9.351 -0.000 -21.281) 23.244 8.764 ( 5.116 0.000 -3.183) 6.026 8.907 ( 2.128 0.000 -16.224) 16.363 9.097 ( 1.097 0.000 -6.817) 6.904 9.755 ( -3.051 -0.000 -8.817) 9.330 10.240 ( 6.738 0.000 -1.204) 6.845 10.754 ( -3.005 -0.000 -14.370) 14.680 10.821 ( 1.500 0.000 -1.494) 2.117 10.903 ( -7.002 -0.000 6.915) 9.841 11.120 ( 7.436 0.000 -2.063) 7.717 11.698 ( -13.868 -0.000 -6.976) 15.523 11.857 ( 6.666 0.000 2.430) 7.095 11.968 ( 7.475 0.000 4.183) 8.566 12.325 ( 2.714 0.000 0.204) 2.722 12.707 ( -2.760 -0.000 3.547) 4.495 12.742 ( 3.449 0.000 -1.067) 3.610 13.248 ( -5.927 -0.000 7.005) 9.175 13.408 ( 0.718 0.000 -0.221) 0.751 13.611 ( -6.209 -0.000 -0.518) 6.230 13.939 ( 1.419 0.000 10.677) 10.771 14.486 ( 8.589 0.000 9.928) 13.128 14.567 ( -8.470 -0.000 5.093) 9.883 15.287 ( -16.824 -0.000 -18.772) 25.207 15.801 ( -6.366 -0.000 -0.687) 6.403 16.009 ( -1.199 -0.000 0.187) 1.214 16.239 ( 8.419 0.000 -13.304) 15.745 16.352 ( -9.479 -0.000 -3.212) 10.008 16.938 ( -0.431 -0.000 3.627) 3.653 17.037 ( 3.523 0.000 -8.070) 8.806 17.441 ( -1.243 -0.000 -4.649) 4.813 17.447 ( 9.654 0.000 -0.729) 9.681 18.064 ( 12.688 0.000 1.521) 12.779 18.145 ( -6.143 -0.000 1.475) 6.318 18.268 ( 14.354 0.000 4.973) 15.191 18.351 ( -3.949 -0.000 -7.250) 8.255 18.653 ( 0.910 0.000 6.533) 6.596 18.944 ( 10.174 0.000 17.762) 20.470 19.393 ( -5.274 -0.000 4.007) 6.623 19.495 ( -4.148 -0.000 7.526) 8.593 19.935 ( -0.037 -0.000 1.218) 1.218 20.162 ( -1.033 -0.000 -0.590) 1.189 21.638 ( 0.858 0.000 0.123) 0.867 21.651 ( -0.539 -0.000 1.950) 2.023 21.818 ( 0.732 0.000 -0.118) 0.741 22.117 ( -5.643 -0.000 -6.703) 8.763 27.756 ( 1.005 0.000 1.095) 1.486 27.758 ( 0.204 0.000 -1.894) 1.905 27.876 ( -0.861 -0.000 -0.768) 1.154 27.992 ( 0.086 0.000 0.725) 0.730 35.499 ( 4.266 0.000 1.207) 4.433 36.265 ( -0.907 -0.000 3.994) 4.096 36.615 ( -2.897 -0.000 11.728) 12.081 36.795 ( 5.329 0.000 -10.768) 12.015 38.821 ( -0.771 -0.000 -5.680) 5.732 38.839 ( 0.635 0.000 -10.148) 10.168 40.045 ( 20.321 0.000 19.860) 28.414 40.294 ( 0.254 0.000 12.928) 12.931 ======================= Grid point 259 (130/150) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -9.552 -0.000 -1.480) 9.665 0.874 ( 9.552 0.000 1.480) 9.665 1.427 ( 1.921 0.000 -1.104) 2.216 1.427 ( -1.921 -0.000 1.104) 2.216 1.881 ( -3.558 -0.000 -1.060) 3.713 1.881 ( 3.558 0.000 1.060) 3.713 2.559 ( -12.482 -0.000 -3.570) 12.982 2.559 ( 12.482 0.000 3.570) 12.982 2.796 ( -0.744 -0.000 -7.588) 7.625 2.796 ( 0.744 0.000 7.588) 7.625 3.946 ( -8.091 -0.000 -2.583) 8.494 3.946 ( 8.091 0.000 2.583) 8.494 4.843 ( -10.216 -0.000 -23.592) 25.709 4.843 ( 10.216 0.000 23.592) 25.709 5.182 ( 8.054 0.000 -11.295) 13.872 5.182 ( -8.054 -0.000 11.295) 13.872 5.505 ( -0.830 -0.000 -3.622) 3.716 5.505 ( 0.830 0.000 3.622) 3.716 5.836 ( -12.521 -0.000 -3.774) 13.078 5.836 ( 12.521 0.000 3.774) 13.078 6.614 ( 2.687 0.000 -6.475) 7.010 6.614 ( -2.687 -0.000 6.475) 7.010 7.186 ( -10.408 -0.000 0.492) 10.420 7.186 ( 10.408 0.000 -0.492) 10.420 7.605 ( -17.250 -0.000 -29.766) 34.403 7.605 ( 17.250 0.000 29.766) 34.403 7.904 ( -3.909 -0.000 -0.971) 4.028 7.904 ( 3.909 0.000 0.971) 4.028 8.734 ( 3.221 0.000 -9.654) 10.177 8.734 ( -3.221 -0.000 9.654) 10.177 8.871 ( 6.674 0.000 -6.436) 9.271 8.871 ( -6.674 -0.000 6.436) 9.271 10.323 ( -5.433 -0.000 0.373) 5.446 10.323 ( 5.433 0.000 -0.373) 5.446 10.863 ( -10.654 -0.000 1.322) 10.736 10.863 ( 10.654 0.000 -1.322) 10.736 11.279 ( -10.410 -0.000 1.225) 10.482 11.279 ( 10.410 0.000 -1.225) 10.482 12.101 ( -4.472 -0.000 -1.219) 4.635 12.101 ( 4.472 0.000 1.219) 4.635 12.411 ( -7.384 -0.000 -4.177) 8.483 12.411 ( 7.384 0.000 4.177) 8.483 13.076 ( -15.107 -0.000 -3.325) 15.468 13.076 ( 15.107 0.000 3.325) 15.468 13.490 ( -3.915 -0.000 -1.199) 4.095 13.490 ( 3.915 0.000 1.199) 4.095 14.344 ( -2.260 -0.000 -2.030) 3.037 14.344 ( 2.260 0.000 2.030) 3.037 15.150 ( -4.926 -0.000 -9.135) 10.379 15.150 ( 4.926 0.000 9.135) 10.379 15.693 ( -5.000 -0.000 -17.196) 17.908 15.693 ( 5.000 0.000 17.196) 17.908 16.039 ( 4.778 0.000 -2.864) 5.571 16.039 ( -4.778 -0.000 2.864) 5.571 17.146 ( -2.078 -0.000 -9.264) 9.494 17.146 ( 2.078 0.000 9.264) 9.494 17.227 ( -1.795 -0.000 -5.784) 6.056 17.227 ( 1.795 0.000 5.784) 6.056 17.920 ( 4.581 0.000 -6.959) 8.332 17.920 ( -4.581 -0.000 6.959) 8.332 18.504 ( 5.986 0.000 -8.946) 10.764 18.504 ( -5.986 -0.000 8.946) 10.764 19.193 ( -8.685 -0.000 -6.527) 10.864 19.193 ( 8.685 0.000 6.527) 10.864 19.760 ( 4.076 0.000 -7.779) 8.782 19.760 ( -4.076 -0.000 7.779) 8.782 19.886 ( -3.228 -0.000 -10.975) 11.440 19.886 ( 3.228 0.000 10.975) 11.440 21.688 ( -2.500 -0.000 0.584) 2.568 21.688 ( 2.500 0.000 -0.584) 2.568 21.840 ( -2.198 -0.000 -1.174) 2.492 21.840 ( 2.198 0.000 1.174) 2.492 27.753 ( -1.853 -0.000 -0.396) 1.895 27.753 ( 1.853 0.000 0.396) 1.895 27.929 ( -1.345 -0.000 -2.640) 2.963 27.929 ( 1.345 0.000 2.640) 2.963 35.876 ( -9.333 -0.000 -8.502) 12.625 35.876 ( 9.333 0.000 8.502) 12.625 36.875 ( -7.943 -0.000 2.517) 8.332 36.875 ( 7.943 0.000 -2.517) 8.332 38.624 ( -2.660 -0.000 0.777) 2.771 38.624 ( 2.660 0.000 -0.777) 2.771 40.608 ( 8.333 0.000 -4.391) 9.419 40.608 ( -8.333 -0.000 4.391) 9.419 ======================= Grid point 261 (131/150) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -9.887 0.567 -2.579) 10.234 0.985 ( 8.170 -0.378 1.153) 8.259 1.415 ( -1.296 -0.330 -0.530) 1.439 1.432 ( 2.085 -0.531 -3.049) 3.731 1.840 ( -2.598 -0.409 -1.120) 2.859 1.938 ( 4.642 -0.897 0.422) 4.747 2.300 ( -17.591 3.223 -6.173) 18.919 2.595 ( -2.757 -4.074 -4.062) 6.380 2.899 ( 13.993 0.189 5.876) 15.177 2.982 ( 9.531 -2.300 8.728) 13.126 3.725 ( -5.883 10.265 -12.333) 17.090 4.071 ( 8.828 -4.718 0.352) 10.016 4.491 ( -8.929 -0.070 -28.642) 30.002 4.955 ( -13.532 5.283 -10.543) 17.949 4.996 ( -10.598 -5.217 -8.951) 14.820 5.231 ( 1.339 5.357 14.810) 15.806 5.445 ( -3.467 2.889 -2.907) 5.368 5.598 ( 5.488 -5.285 3.861) 8.542 5.845 ( -0.315 -8.851 6.168) 10.793 5.997 ( 7.508 -5.706 -2.400) 9.730 6.197 ( -16.314 11.932 -28.236) 34.725 6.636 ( -0.177 -0.509 1.788) 1.868 7.102 ( 4.327 3.545 -0.986) 5.679 7.261 ( 6.126 -1.492 -0.526) 6.327 7.391 ( -2.798 0.601 1.376) 3.175 7.873 ( -3.920 -6.332 -1.955) 7.700 8.047 ( 5.643 -8.447 5.191) 11.408 8.229 ( 15.877 -2.917 27.081) 31.528 8.625 ( -1.951 1.714 -11.284) 11.579 8.713 ( -7.066 4.854 3.907) 9.421 8.932 ( 7.677 1.256 5.616) 9.594 8.998 ( 5.430 -1.222 21.590) 22.296 10.237 ( -6.352 3.614 1.256) 7.415 10.390 ( 4.468 -0.446 5.023) 6.738 10.790 ( -6.995 -0.892 1.508) 7.211 10.977 ( 9.240 -1.461 -1.117) 9.421 11.177 ( -8.982 0.995 1.169) 9.112 11.386 ( 11.539 1.593 1.854) 11.795 12.010 ( -6.987 1.223 -2.852) 7.645 12.129 ( -0.220 -1.004 -1.443) 1.771 12.319 ( -3.214 1.086 -1.349) 3.650 12.545 ( 8.563 0.807 5.902) 10.431 12.859 ( -12.372 3.136 -2.644) 13.034 13.179 ( 10.836 8.631 1.464) 13.930 13.468 ( -4.414 -3.447 -0.688) 5.643 13.630 ( 7.776 -8.484 -0.369) 11.514 14.274 ( -2.651 1.218 -5.564) 6.282 14.413 ( 5.387 -2.230 1.421) 6.001 14.997 ( -3.542 3.853 -7.347) 9.020 15.196 ( -6.457 -3.067 -9.524) 11.908 15.568 ( 7.497 2.364 0.658) 7.889 15.890 ( 3.692 0.957 10.316) 10.999 16.006 ( -4.061 4.178 8.748) 10.510 16.044 ( 5.510 6.302 2.434) 8.718 16.987 ( -3.795 1.545 -10.639) 11.401 17.180 ( -2.125 -4.009 -5.311) 6.985 17.280 ( 0.624 -2.997 9.261) 9.754 17.364 ( 1.036 -7.844 8.174) 11.376 17.944 ( -1.238 -3.572 1.641) 4.121 18.028 ( 2.992 -7.889 3.843) 9.271 18.452 ( -2.803 0.648 -4.705) 5.515 18.476 ( -7.004 0.328 0.776) 7.054 19.016 ( -9.268 0.624 -9.083) 12.992 19.319 ( 7.527 1.635 2.729) 8.172 19.515 ( -6.067 9.856 -10.251) 15.460 19.721 ( 1.284 5.988 -1.810) 6.386 19.820 ( -1.949 0.573 -3.746) 4.262 20.106 ( 6.557 -6.663 5.521) 10.856 21.655 ( -1.956 1.046 -0.196) 2.227 21.693 ( 1.416 1.070 -0.783) 1.940 21.818 ( -1.247 -0.112 -0.934) 1.563 21.912 ( 3.429 -2.160 3.982) 5.682 27.738 ( -1.432 -0.659 0.017) 1.576 27.784 ( 1.516 -1.041 0.532) 1.915 27.888 ( -1.041 0.307 -2.252) 2.500 27.960 ( 0.996 0.792 1.989) 2.361 35.709 ( -8.061 -0.710 -6.517) 10.390 36.047 ( 8.926 2.810 8.273) 12.491 36.803 ( -11.854 -3.273 1.239) 12.360 36.925 ( 5.447 -3.813 -6.333) 9.182 38.623 ( -2.369 -0.940 2.562) 3.614 38.686 ( 2.424 -3.726 3.108) 5.424 40.477 ( -10.289 6.375 -2.059) 12.278 40.581 ( 5.466 5.455 -8.087) 11.182 ======================= Grid point 262 (132/150) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -10.050 1.852 -4.270) 11.075 1.076 ( 5.495 -0.542 0.873) 5.591 1.389 ( -1.613 0.236 -2.019) 2.595 1.433 ( 2.660 -1.683 -4.510) 5.500 1.813 ( -1.909 -0.548 -0.659) 2.092 1.969 ( -0.906 0.767 -6.329) 6.439 2.083 ( -7.583 -1.197 2.244) 7.998 2.559 ( -4.153 -0.529 -5.303) 6.756 3.098 ( 5.275 -0.847 5.225) 7.473 3.142 ( 13.542 7.459 5.854) 16.531 3.462 ( 2.491 4.149 -9.001) 10.219 4.036 ( -13.613 4.059 -22.255) 26.402 4.176 ( -10.356 -8.957 -15.087) 20.374 4.595 ( -12.137 5.267 -10.438) 16.852 4.898 ( -7.351 -9.097 -10.152) 15.488 5.248 ( -4.248 7.313 -3.140) 9.021 5.301 ( 4.555 10.462 9.408) 14.789 5.661 ( -6.985 -8.882 -24.498) 26.978 5.826 ( 2.502 -2.901 -5.712) 6.878 5.955 ( 8.268 -6.362 -0.152) 10.434 6.318 ( 9.964 -11.273 15.757) 21.786 6.656 ( -0.518 -5.894 -2.965) 6.618 7.063 ( 2.293 2.448 -7.730) 8.427 7.323 ( -6.515 -2.079 4.289) 8.072 7.532 ( 14.920 5.480 19.029) 24.794 7.820 ( -10.162 4.852 -0.892) 11.296 8.146 ( -0.128 2.907 -5.467) 6.194 8.405 ( -2.106 9.581 2.293) 10.074 8.552 ( 1.224 -3.437 5.517) 6.614 8.672 ( -4.661 -3.968 10.210) 11.904 9.047 ( 5.919 -0.083 2.099) 6.281 9.400 ( 13.610 -2.411 24.534) 28.160 10.158 ( -3.571 2.078 1.551) 4.414 10.545 ( 6.192 -2.643 10.261) 12.273 10.759 ( -4.145 -1.081 2.037) 4.744 11.035 ( -4.338 0.196 3.610) 5.647 11.126 ( 4.057 -2.259 -4.672) 6.588 11.525 ( 12.097 2.624 5.858) 13.694 11.878 ( -6.115 2.311 -4.050) 7.690 12.097 ( -3.814 -2.229 -5.010) 6.679 12.279 ( -0.373 2.228 0.874) 2.422 12.644 ( -0.393 2.220 2.960) 3.721 12.738 ( 1.107 0.483 1.207) 1.707 13.155 ( 8.669 9.936 -0.896) 13.216 13.483 ( -3.825 -5.606 1.253) 6.901 13.788 ( 3.798 -6.617 -1.344) 7.747 14.180 ( -2.404 -1.804 -6.727) 7.368 14.465 ( 0.094 2.002 -4.473) 4.902 14.870 ( 3.277 8.922 2.418) 9.808 15.011 ( -8.477 -6.416 -17.052) 20.095 15.591 ( -1.556 13.789 0.077) 13.876 15.928 ( 6.252 -0.633 8.627) 10.673 16.068 ( 5.330 2.135 4.738) 7.444 16.156 ( 5.781 -0.592 14.700) 15.807 16.885 ( -0.165 -2.256 -5.680) 6.114 17.134 ( -2.775 0.957 -3.238) 4.371 17.404 ( -1.251 -2.649 8.441) 8.935 17.588 ( -2.425 -13.122 5.723) 14.520 17.992 ( -8.350 -6.183 2.808) 10.763 18.179 ( 3.400 -3.148 -2.715) 5.370 18.313 ( -8.156 0.187 -0.058) 8.159 18.458 ( 0.437 -5.001 -1.953) 5.386 18.810 ( -7.781 1.547 -9.705) 12.534 19.242 ( -6.308 5.127 -10.694) 13.433 19.355 ( 4.564 3.945 -2.642) 6.586 19.588 ( 1.691 13.026 -2.497) 13.370 19.780 ( -0.059 -1.227 -1.551) 1.978 20.278 ( 5.015 -4.398 2.144) 7.006 21.625 ( -0.949 0.776 -0.134) 1.233 21.682 ( 0.591 1.073 -0.458) 1.308 21.791 ( -1.026 0.679 -1.422) 1.880 22.028 ( 3.344 -2.220 5.328) 6.670 27.740 ( -0.546 -0.845 0.328) 1.058 27.818 ( 0.237 -2.180 -0.261) 2.208 27.867 ( 0.402 0.167 -0.048) 0.438 27.967 ( 0.512 1.447 0.916) 1.788 35.614 ( -4.806 -3.359 -3.551) 6.855 36.110 ( 5.474 9.135 3.236) 11.131 36.772 ( -12.374 -8.411 5.380) 15.900 36.981 ( 5.322 -7.254 -9.172) 12.848 38.649 ( -2.094 -1.587 4.594) 5.293 38.821 ( 1.476 -6.154 5.634) 8.474 40.196 ( -9.224 10.568 -9.190) 16.770 40.446 ( 2.888 8.234 -9.059) 12.578 ======================= Grid point 263 (133/150) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( -8.423 1.368 -4.431) 9.616 1.132 ( 2.555 -0.435 0.424) 2.626 1.351 ( -1.484 -1.070 -2.208) 2.867 1.444 ( 2.665 -1.370 -3.654) 4.726 1.800 ( -1.219 -0.479 -0.042) 1.311 1.880 ( -2.335 -2.907 -3.614) 5.193 2.126 ( -1.249 -1.753 4.605) 5.083 2.368 ( -3.916 11.367 -8.460) 14.701 3.078 ( 3.212 3.849 -0.355) 5.025 3.294 ( 9.288 2.444 5.694) 11.165 3.394 ( -1.257 -4.873 -18.423) 19.098 3.771 ( -6.559 -5.038 -2.396) 8.611 3.890 ( -17.730 7.029 -5.083) 19.738 4.364 ( -5.158 0.408 -11.677) 12.772 4.813 ( -5.502 1.343 -7.161) 9.130 5.065 ( -3.305 1.159 -4.603) 5.784 5.397 ( 5.792 5.090 8.365) 11.376 5.645 ( 3.874 -13.381 -16.593) 21.666 5.831 ( 7.954 -8.620 -1.505) 11.826 6.249 ( 9.887 -8.804 7.934) 15.434 6.549 ( 1.198 1.484 3.149) 3.681 6.831 ( 7.967 -8.624 5.971) 13.172 6.967 ( 0.968 -2.491 -9.808) 10.166 7.258 ( -13.428 5.839 3.930) 15.161 7.467 ( -14.043 11.027 -6.678) 19.063 7.813 ( 9.453 -0.161 12.756) 15.878 8.012 ( -6.467 6.629 1.900) 9.454 8.229 ( 0.620 8.909 -4.582) 10.037 8.694 ( 1.086 -1.852 6.809) 7.140 8.844 ( 2.016 -3.116 12.052) 12.610 9.098 ( 1.851 -2.111 -1.318) 3.101 9.700 ( 6.594 -0.630 9.813) 11.839 10.122 ( -1.663 0.831 0.351) 1.891 10.719 ( 5.424 1.591 4.221) 7.055 10.797 ( -1.721 -5.442 6.392) 8.569 10.998 ( -6.001 -0.178 2.639) 6.558 11.193 ( 6.437 -2.602 -2.720) 7.457 11.675 ( 8.050 2.505 6.808) 10.836 11.760 ( -0.492 2.409 -2.915) 3.813 12.009 ( -6.195 -2.028 -7.580) 9.997 12.260 ( -0.252 1.647 1.001) 1.944 12.600 ( -2.687 0.561 0.243) 2.756 12.807 ( 4.200 0.647 2.329) 4.846 13.109 ( 6.253 6.928 -1.478) 9.449 13.547 ( -1.609 -4.591 2.087) 5.293 13.891 ( 1.960 -5.087 1.296) 5.604 14.179 ( 1.125 -8.729 -4.455) 9.864 14.309 ( -5.414 3.359 -6.223) 8.906 14.713 ( -6.503 13.817 -2.400) 15.458 14.990 ( 4.856 -7.257 -6.985) 11.182 15.299 ( -5.750 16.971 0.222) 17.920 16.108 ( 3.552 -2.804 5.014) 6.754 16.193 ( 6.328 -1.279 6.816) 9.388 16.378 ( 7.369 -3.148 9.875) 12.718 16.917 ( 2.479 -4.481 -1.902) 5.463 17.033 ( -3.184 5.203 -1.708) 6.335 17.481 ( -1.911 1.599 9.612) 9.930 17.664 ( -7.747 -6.077 -6.372) 11.728 17.920 ( -9.021 -2.296 -3.687) 10.012 18.197 ( -0.618 -4.897 3.004) 5.778 18.367 ( 2.422 -5.875 -1.480) 6.525 18.554 ( 1.943 -2.765 3.459) 4.835 18.661 ( -3.658 0.624 -4.176) 5.587 19.041 ( -6.332 -3.479 -10.572) 12.805 19.272 ( 2.609 11.543 -2.169) 12.031 19.409 ( 0.193 8.259 -3.762) 9.077 19.806 ( 1.585 -1.086 0.429) 1.969 20.374 ( 2.702 -2.041 0.573) 3.434 21.611 ( -0.278 0.301 0.042) 0.412 21.672 ( 0.206 0.557 -0.184) 0.621 21.756 ( -0.735 0.881 -1.167) 1.636 22.126 ( 1.886 -1.128 3.862) 4.443 27.752 ( 0.064 -0.641 0.377) 0.747 27.838 ( -0.434 -1.858 -0.607) 2.002 27.889 ( 1.136 -0.478 1.535) 1.969 27.953 ( 0.017 1.630 -0.196) 1.642 35.629 ( -0.957 -5.893 -0.260) 5.976 36.005 ( 0.430 10.586 -1.466) 10.696 36.853 ( -7.672 -7.883 8.258) 13.755 37.041 ( 4.913 -5.948 -8.638) 11.582 38.712 ( -0.923 -2.336 5.995) 6.500 38.959 ( -0.409 -5.003 4.387) 6.667 39.878 ( -4.673 8.980 -10.515) 14.596 40.281 ( 0.998 6.806 -6.701) 9.603 ======================= Grid point 264 (134/150) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( -0.000 0.000 0.000) 0.000 1.151 ( -0.000 0.000 0.000) 0.000 1.344 ( -0.000 0.000 0.000) 0.000 1.450 ( -0.000 0.000 0.000) 0.000 1.797 ( -0.000 0.000 0.000) 0.000 1.911 ( -0.000 0.000 0.000) 0.000 2.156 ( -0.000 -0.000 0.000) 0.000 2.163 ( 0.000 0.000 -0.000) 0.000 3.082 ( -0.000 0.000 0.000) 0.000 3.313 ( -0.000 0.000 0.000) 0.000 3.349 ( 0.000 -0.000 -0.000) 0.000 3.694 ( -0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 4.269 ( -0.000 0.000 0.000) 0.000 4.718 ( -0.000 0.000 0.000) 0.000 5.020 ( -0.000 0.000 0.000) 0.000 5.444 ( -0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 0.000) 0.000 6.113 ( -0.000 0.000 0.000) 0.000 6.414 ( -0.000 -0.000 0.000) 0.000 6.469 ( 0.000 -0.000 0.000) 0.000 6.907 ( -0.000 0.000 0.000) 0.000 7.006 ( -0.000 -0.000 0.000) 0.000 7.194 ( 0.000 -0.000 0.000) 0.000 7.200 ( -0.000 0.000 -0.000) 0.000 7.895 ( -0.000 0.000 -0.000) 0.000 7.993 ( -0.000 0.000 0.000) 0.000 8.130 ( -0.000 -0.000 0.000) 0.000 8.744 ( -0.000 0.000 0.000) 0.000 8.930 ( -0.000 0.000 0.000) 0.000 9.131 ( -0.000 0.000 0.000) 0.000 9.779 ( -0.000 0.000 0.000) 0.000 10.108 ( -0.000 0.000 0.000) 0.000 10.745 ( -0.000 0.000 0.000) 0.000 10.877 ( 0.000 0.000 0.000) 0.000 10.978 ( -0.000 0.000 0.000) 0.000 11.240 ( -0.000 0.000 0.000) 0.000 11.674 ( -0.000 0.000 0.000) 0.000 11.840 ( -0.000 0.000 0.000) 0.000 11.894 ( 0.000 0.000 0.000) 0.000 12.251 ( -0.000 0.000 0.000) 0.000 12.584 ( -0.000 0.000 0.000) 0.000 12.836 ( -0.000 0.000 0.000) 0.000 13.087 ( 0.000 0.000 0.000) 0.000 13.580 ( -0.000 0.000 0.000) 0.000 13.952 ( -0.000 0.000 0.000) 0.000 14.203 ( -0.000 0.000 0.000) 0.000 14.375 ( 0.000 -0.000 0.000) 0.000 14.426 ( -0.000 0.000 0.000) 0.000 15.050 ( -0.000 0.000 0.000) 0.000 15.133 ( -0.000 0.000 0.000) 0.000 16.170 ( -0.000 0.000 0.000) 0.000 16.278 ( -0.000 0.000 0.000) 0.000 16.514 ( -0.000 0.000 0.000) 0.000 16.943 ( 0.000 0.000 0.000) 0.000 16.968 ( -0.000 -0.000 -0.000) 0.000 17.511 ( -0.000 0.000 0.000) 0.000 17.591 ( -0.000 -0.000 -0.000) 0.000 17.874 ( -0.000 0.000 0.000) 0.000 18.264 ( -0.000 -0.000 0.000) 0.000 18.417 ( 0.000 0.000 0.000) 0.000 18.598 ( 0.000 0.000 0.000) 0.000 18.609 ( -0.000 -0.000 -0.000) 0.000 19.040 ( 0.000 0.000 0.000) 0.000 19.124 ( -0.000 0.000 0.000) 0.000 19.340 ( -0.000 0.000 -0.000) 0.000 19.827 ( -0.000 0.000 0.000) 0.000 20.405 ( -0.000 0.000 0.000) 0.000 21.609 ( -0.000 0.000 0.000) 0.000 21.669 ( -0.000 0.000 0.000) 0.000 21.739 ( -0.000 -0.000 -0.000) 0.000 22.164 ( -0.000 0.000 0.000) 0.000 27.759 ( -0.000 0.000 0.000) 0.000 27.846 ( -0.000 0.000 0.000) 0.000 27.923 ( -0.000 0.000 -0.000) 0.000 27.924 ( 0.000 -0.000 0.000) 0.000 35.690 ( -0.000 -0.000 0.000) 0.000 35.898 ( -0.000 0.000 0.000) 0.000 36.915 ( -0.000 0.000 0.000) 0.000 37.064 ( -0.000 0.000 0.000) 0.000 38.767 ( -0.000 0.000 0.000) 0.000 39.008 ( -0.000 0.000 0.000) 0.000 39.730 ( -0.000 0.000 0.000) 0.000 40.200 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 270 (135/150) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -8.974 -0.000 -2.206) 9.241 1.066 ( 6.905 0.000 -0.745) 6.945 1.390 ( 0.063 0.000 -2.182) 2.183 1.405 ( 1.536 0.000 -6.293) 6.478 1.804 ( -2.174 -0.000 -0.425) 2.215 1.981 ( 5.970 0.000 -1.842) 6.248 2.089 ( -16.614 -0.000 -3.827) 17.049 2.503 ( 2.393 0.000 -5.065) 5.602 3.085 ( 7.825 0.000 4.709) 9.132 3.178 ( 10.353 0.000 10.518) 14.759 3.652 ( -6.947 -0.000 -11.893) 13.774 3.986 ( 9.521 0.000 -20.571) 22.668 4.224 ( -3.383 -0.000 -16.172) 16.522 4.589 ( -18.473 -0.000 -26.003) 31.897 4.710 ( -13.876 -0.000 -9.087) 16.586 5.389 ( -5.793 -0.000 -8.114) 9.970 5.453 ( 0.681 0.000 -1.123) 1.313 5.628 ( -8.598 -0.000 -18.540) 20.437 5.743 ( 10.385 0.000 3.759) 11.044 5.898 ( 5.250 0.000 10.399) 11.649 6.050 ( 4.369 0.000 1.079) 4.500 6.513 ( -2.137 -0.000 -7.709) 8.000 7.166 ( 1.811 0.000 -7.009) 7.239 7.305 ( -7.360 -0.000 1.668) 7.547 7.727 ( 20.466 0.000 31.411) 37.490 7.822 ( -4.087 -0.000 5.417) 6.786 8.082 ( 7.543 0.000 3.952) 8.515 8.480 ( -5.639 -0.000 -9.794) 11.301 8.530 ( 0.638 0.000 19.164) 19.175 8.702 ( -6.979 -0.000 2.804) 7.521 9.030 ( 2.350 0.000 2.509) 3.437 9.368 ( 13.199 0.000 27.180) 30.215 10.206 ( -7.117 -0.000 1.863) 7.357 10.483 ( 3.328 0.000 9.511) 10.077 10.767 ( -2.021 -0.000 3.470) 4.015 11.034 ( 8.540 0.000 -5.025) 9.908 11.091 ( -9.792 -0.000 1.204) 9.866 11.564 ( 13.006 0.000 5.188) 14.002 11.917 ( -6.317 -0.000 -3.143) 7.055 12.056 ( -4.370 -0.000 -4.480) 6.258 12.311 ( -1.164 -0.000 1.250) 1.708 12.695 ( 8.277 0.000 3.983) 9.185 12.729 ( -11.390 -0.000 0.348) 11.395 13.324 ( 4.203 0.000 -0.696) 4.260 13.456 ( 3.264 0.000 -3.481) 4.772 13.616 ( 6.454 0.000 -0.803) 6.504 14.176 ( -3.142 -0.000 -10.189) 10.662 14.478 ( 6.863 0.000 2.829) 7.423 14.918 ( -10.321 -0.000 -18.989) 21.613 15.031 ( 3.690 0.000 5.598) 6.705 15.731 ( 10.277 0.000 5.457) 11.636 15.991 ( 1.782 0.000 2.841) 3.353 16.019 ( -6.819 -0.000 7.341) 10.020 16.238 ( 6.838 0.000 8.623) 11.005 16.935 ( -3.162 -0.000 -0.984) 3.312 17.043 ( -0.988 -0.000 -5.979) 6.060 17.318 ( -1.767 -0.000 6.589) 6.822 17.370 ( -2.318 -0.000 5.347) 5.828 17.982 ( -4.909 -0.000 6.676) 8.287 18.062 ( 9.608 0.000 5.621) 11.132 18.351 ( -15.238 -0.000 -1.067) 15.275 18.375 ( -0.735 -0.000 -7.294) 7.331 18.833 ( -7.920 -0.000 -9.307) 12.220 19.319 ( -10.751 -0.000 -15.129) 18.560 19.442 ( 5.088 0.000 -1.123) 5.211 19.648 ( 4.000 0.000 -7.042) 8.099 19.942 ( 3.314 0.000 0.512) 3.353 20.137 ( 4.526 0.000 2.286) 5.071 21.640 ( -1.700 -0.000 -0.016) 1.700 21.695 ( 0.861 0.000 -2.130) 2.297 21.810 ( -1.214 -0.000 0.645) 1.375 21.984 ( 4.096 0.000 5.693) 7.013 27.727 ( -0.633 -0.000 0.894) 1.095 27.783 ( 0.014 0.000 -0.962) 0.962 27.868 ( 0.084 0.000 -0.623) 0.628 27.989 ( 0.466 0.000 1.086) 1.182 35.563 ( -6.761 -0.000 -4.707) 8.239 36.251 ( 9.123 0.000 6.890) 11.433 36.647 ( -13.766 -0.000 1.475) 13.844 36.854 ( 2.329 0.000 -9.807) 10.079 38.649 ( -1.741 -0.000 6.942) 7.157 38.714 ( 2.147 0.000 3.798) 4.363 40.349 ( -10.863 -0.000 -9.439) 14.391 40.562 ( 3.016 0.000 -11.887) 12.264 ======================= Grid point 271 (136/150) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -7.122 3.310 -2.715) 8.310 1.113 ( 4.207 -0.594 -2.854) 5.118 1.331 ( -1.079 0.082 -7.639) 7.715 1.389 ( 2.460 -1.860 -3.738) 4.846 1.783 ( -2.706 -0.432 0.815) 2.859 1.897 ( -6.037 2.510 -2.726) 7.084 2.050 ( 3.372 -3.233 -0.931) 4.763 2.518 ( 6.911 -0.024 -4.734) 8.377 3.102 ( -8.136 -2.420 -5.233) 9.972 3.341 ( 4.576 1.858 -3.570) 6.094 3.487 ( -2.274 -7.378 -10.813) 13.286 3.619 ( 7.573 22.519 -26.507) 35.596 4.125 ( -7.578 4.198 10.787) 13.835 4.467 ( 3.372 -14.667 -17.222) 22.871 4.488 ( -2.790 -7.619 -16.151) 18.074 5.159 ( -6.206 -1.476 -17.306) 18.444 5.331 ( -0.091 7.641 -4.525) 8.880 5.523 ( 3.211 -1.307 -2.661) 4.371 5.925 ( 3.687 12.004 9.157) 15.541 5.987 ( 15.064 -8.535 1.534) 17.382 6.400 ( 6.257 -16.886 14.845) 23.338 6.471 ( 1.774 -5.139 -5.789) 7.942 7.079 ( -0.034 3.746 -6.958) 7.902 7.221 ( -11.264 -2.637 0.445) 11.577 7.746 ( -9.811 9.229 5.729) 14.637 8.026 ( 1.694 4.500 11.954) 12.885 8.174 ( 6.630 7.558 -8.600) 13.230 8.473 ( -0.006 4.745 10.484) 11.507 8.660 ( -6.360 -4.254 16.262) 17.972 8.705 ( 3.009 -0.840 15.358) 15.673 9.038 ( -4.528 -2.387 -0.593) 5.153 9.674 ( 4.255 -0.575 11.892) 12.643 10.149 ( -4.766 0.861 1.719) 5.139 10.646 ( 1.602 -3.590 11.159) 11.831 10.787 ( 1.426 2.130 2.863) 3.843 11.008 ( -6.608 0.603 3.610) 7.555 11.087 ( 6.547 -3.829 -6.372) 9.906 11.749 ( 10.994 1.738 6.409) 12.844 11.818 ( -3.458 1.603 -2.751) 4.700 11.969 ( -3.458 -0.979 -5.971) 6.969 12.296 ( -1.807 1.007 0.015) 2.069 12.639 ( -6.003 1.744 3.602) 7.215 12.793 ( 4.311 -1.692 -1.092) 4.759 13.329 ( 6.320 4.976 -3.959) 8.966 13.424 ( 0.145 -0.386 -0.744) 0.851 13.727 ( 5.278 -5.540 -0.763) 7.690 14.054 ( -1.455 -1.717 -9.465) 9.729 14.460 ( -7.267 4.786 -6.530) 10.880 14.745 ( 4.629 -2.926 -9.577) 11.032 15.125 ( 3.293 8.472 13.938) 16.640 15.755 ( -2.431 12.815 1.202) 13.099 16.013 ( 3.258 -2.328 3.332) 5.209 16.101 ( -0.960 -5.529 6.697) 8.738 16.382 ( 9.992 2.419 8.460) 13.314 16.829 ( -3.183 3.208 -1.487) 4.758 17.114 ( -1.033 -8.146 1.416) 8.332 17.361 ( -4.660 -3.083 5.323) 7.718 17.419 ( -7.174 -7.613 0.815) 10.492 17.933 ( -6.775 3.272 0.780) 7.564 18.166 ( -4.322 1.533 -1.021) 4.699 18.246 ( 3.632 -3.220 0.331) 4.865 18.380 ( 1.739 -7.205 3.348) 8.133 18.695 ( -2.323 1.054 -4.993) 5.607 19.029 ( -10.178 0.589 -16.467) 19.367 19.455 ( 5.621 5.026 -2.556) 7.962 19.642 ( 5.532 0.242 -8.314) 9.989 19.873 ( 0.790 9.672 0.747) 9.733 20.247 ( 2.925 -6.930 -1.133) 7.607 21.623 ( -0.817 0.454 0.193) 0.954 21.680 ( 0.263 0.008 -1.878) 1.896 21.793 ( -1.067 1.379 0.305) 1.769 22.089 ( 1.803 -1.234 6.096) 6.475 27.736 ( -0.159 -0.162 1.117) 1.140 27.778 ( -0.545 -1.870 -1.262) 2.321 27.877 ( 0.634 -0.425 0.850) 1.142 27.991 ( 0.037 0.894 -0.017) 0.895 35.494 ( -3.556 -3.109 -1.738) 5.033 36.264 ( -1.301 6.954 -4.582) 8.429 36.639 ( -5.644 -5.602 12.468) 14.788 36.837 ( 4.692 -7.101 -9.186) 12.522 38.697 ( -0.472 1.485 7.767) 7.921 38.814 ( 0.393 -4.958 5.863) 7.688 40.083 ( -6.917 4.857 -16.701) 18.718 40.431 ( 0.778 3.454 -13.501) 13.957 ======================= Grid point 272 (137/150) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -1.522 3.752 -0.495) 4.079 1.124 ( 1.339 -2.038 -3.854) 4.561 1.281 ( -0.496 -2.891 -3.172) 4.320 1.411 ( 3.356 -2.050 -4.102) 5.683 1.779 ( -2.397 -1.150 2.437) 3.607 1.841 ( 0.504 0.034 -0.200) 0.543 2.108 ( 0.121 -2.955 -0.579) 3.014 2.523 ( 10.946 14.547 -1.726) 18.287 2.915 ( -4.970 -14.837 -27.298) 31.465 3.126 ( 2.653 3.157 -8.631) 9.566 3.455 ( 6.037 6.601 -4.674) 10.092 3.558 ( 1.904 -4.354 -2.071) 5.184 4.066 ( -7.297 8.190 10.331) 15.068 4.382 ( 9.043 6.574 5.537) 12.476 4.689 ( 5.715 -13.403 -9.575) 17.435 5.039 ( 3.990 -0.396 -7.558) 8.556 5.270 ( 4.101 -5.222 -6.885) 9.565 5.586 ( 5.384 -2.704 -2.854) 6.667 5.917 ( 5.058 4.263 9.176) 11.312 6.320 ( 12.345 -9.073 5.274) 16.203 6.443 ( -2.023 -4.845 -10.844) 12.048 6.815 ( 6.347 -12.554 8.971) 16.684 6.947 ( -1.509 3.296 -7.348) 8.193 7.191 ( -8.862 -7.502 3.084) 12.014 7.439 ( -17.925 17.366 2.859) 25.121 7.999 ( 3.092 9.296 1.661) 9.936 8.061 ( -6.145 4.804 1.128) 7.880 8.377 ( 0.929 12.245 3.062) 12.656 8.736 ( -7.805 -0.264 11.922) 14.252 8.919 ( -0.774 -1.861 -4.511) 4.940 9.110 ( 2.468 -1.813 17.115) 17.387 9.717 ( -6.905 -3.357 -1.515) 7.825 10.118 ( -2.199 0.603 1.577) 2.772 10.761 ( -1.941 0.619 0.932) 2.240 10.800 ( -2.284 -3.860 5.806) 7.337 10.999 ( 1.359 1.502 1.578) 2.568 11.158 ( 1.528 -5.023 -1.687) 5.515 11.735 ( -0.062 3.430 -0.023) 3.431 11.815 ( -5.794 -1.321 -5.352) 7.998 11.963 ( 11.222 3.673 4.184) 12.527 12.253 ( -2.215 0.540 -1.606) 2.789 12.618 ( -1.830 2.219 5.352) 6.076 12.812 ( 0.726 -2.342 -5.460) 5.986 13.237 ( 5.398 9.261 -7.569) 13.123 13.485 ( -1.421 -6.302 2.635) 6.976 13.861 ( 4.803 -5.616 1.592) 7.560 14.042 ( 3.536 -6.949 -5.688) 9.651 14.265 ( -5.828 0.337 -4.777) 7.543 14.718 ( 3.771 7.366 -4.561) 9.449 15.106 ( 0.141 11.030 6.065) 12.588 15.501 ( -5.323 18.198 4.278) 19.437 16.097 ( -0.779 -4.568 -0.775) 4.698 16.246 ( 0.654 -3.426 7.304) 8.094 16.544 ( 7.177 2.500 7.207) 10.474 16.756 ( -4.697 -4.450 -6.334) 9.055 17.177 ( -0.193 2.427 3.813) 4.524 17.365 ( -7.374 -4.742 -7.847) 11.766 17.445 ( -7.813 -11.521 6.715) 15.455 17.861 ( -0.829 0.195 1.366) 1.610 18.165 ( -1.279 -2.854 3.783) 4.908 18.352 ( 6.644 -3.840 2.342) 8.023 18.596 ( 5.309 -7.467 7.457) 11.813 18.658 ( 2.853 2.853 -0.032) 4.035 18.798 ( -5.854 -2.020 -12.827) 14.244 19.399 ( 4.366 6.641 -2.705) 8.395 19.523 ( 5.120 11.858 -9.862) 16.251 19.816 ( -1.363 0.766 1.723) 2.326 20.331 ( 0.721 -5.508 -2.868) 6.251 21.615 ( -0.197 0.434 0.238) 0.532 21.667 ( -0.128 -0.167 -1.121) 1.141 21.765 ( -0.473 1.622 0.167) 1.698 22.152 ( -1.422 -0.764 3.111) 3.505 27.746 ( -0.422 -0.578 0.425) 0.832 27.798 ( -0.318 -2.657 -0.179) 2.682 27.902 ( 0.355 -0.809 1.041) 1.365 27.968 ( -0.272 1.633 -0.877) 1.873 35.531 ( -1.067 -6.574 0.500) 6.679 36.063 ( -6.343 6.754 -5.705) 10.881 36.830 ( 2.699 -5.199 11.817) 13.189 36.947 ( 4.078 -7.320 0.192) 8.382 38.753 ( 0.211 0.139 5.219) 5.225 38.938 ( -0.600 -4.612 5.908) 7.519 39.807 ( 0.183 4.337 -16.743) 17.297 40.253 ( -1.151 3.014 -12.047) 12.472 ======================= Grid point 273 (138/150) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 7.139 0.455 6.101) 9.401 1.120 ( -0.653 -1.583 -3.336) 3.749 1.323 ( -0.617 -3.860 1.729) 4.275 1.431 ( 2.444 -1.928 -3.495) 4.681 1.800 ( 0.136 -0.544 1.268) 1.386 1.901 ( 2.144 -3.950 3.158) 5.493 2.116 ( -3.367 -2.476 -0.928) 4.281 2.352 ( 11.602 15.154 -1.757) 19.166 2.954 ( -7.662 -7.746 -4.305) 11.715 3.258 ( 18.970 -8.128 0.577) 20.646 3.360 ( 5.678 -1.901 -9.655) 11.361 3.572 ( 0.324 0.958 -0.152) 1.022 4.038 ( 3.242 2.580 6.128) 7.398 4.551 ( 13.991 11.188 22.582) 28.825 4.775 ( 6.572 -1.015 1.232) 6.763 5.069 ( 8.441 -0.608 -2.847) 8.929 5.314 ( -0.994 -1.812 -6.074) 6.416 5.663 ( 2.578 -5.041 3.228) 6.517 6.053 ( -2.158 0.011 -1.117) 2.430 6.320 ( -5.523 -4.657 -9.143) 11.653 6.495 ( 5.516 0.381 1.764) 5.803 6.846 ( -2.230 -3.749 -8.486) 9.541 7.056 ( -11.390 13.316 10.075) 20.213 7.129 ( 7.148 -14.543 4.063) 16.706 7.305 ( 4.599 -2.040 0.616) 5.069 7.861 ( -11.604 4.928 -7.049) 14.444 7.983 ( 1.792 3.733 5.050) 6.531 8.267 ( 2.889 11.719 4.387) 12.843 8.730 ( -8.979 0.244 4.986) 10.273 8.853 ( -1.258 -1.799 -8.122) 8.414 9.168 ( -7.666 3.474 1.914) 8.631 9.658 ( -7.946 -4.134 -4.788) 10.156 10.116 ( -0.080 0.447 1.832) 1.888 10.693 ( -5.913 -0.202 -3.676) 6.965 10.866 ( -1.143 -0.865 2.101) 2.544 11.019 ( 5.254 1.038 -1.085) 5.465 11.184 ( -5.000 -2.796 0.550) 5.755 11.654 ( -7.540 0.500 -8.499) 11.373 11.746 ( 1.907 2.004 3.949) 4.822 12.083 ( 8.752 3.282 5.468) 10.829 12.217 ( -1.482 -0.842 -1.659) 2.379 12.627 ( 0.449 2.702 3.901) 4.767 12.780 ( -1.600 -1.791 -5.262) 5.785 13.083 ( -0.601 5.569 -6.797) 8.808 13.567 ( -0.027 -3.327 2.289) 4.038 13.939 ( 1.626 -1.306 -3.078) 3.718 14.185 ( 3.088 -8.684 -1.990) 9.429 14.319 ( 4.391 -10.492 6.660) 13.180 14.548 ( 2.257 14.836 -2.281) 15.179 15.051 ( 2.579 1.464 1.276) 3.228 15.300 ( -3.183 14.118 8.486) 16.777 16.087 ( -6.398 -3.382 -4.219) 8.377 16.254 ( -7.150 1.811 -4.693) 8.742 16.483 ( -5.234 4.336 -6.161) 9.173 16.791 ( 2.301 -5.324 -2.718) 6.406 17.153 ( -0.991 3.567 4.407) 5.756 17.349 ( 2.266 -3.500 -1.313) 4.371 17.611 ( -3.083 -9.834 9.859) 14.263 17.928 ( 4.195 -1.780 4.948) 6.726 18.238 ( -1.672 -3.782 3.479) 5.404 18.515 ( 9.016 0.186 5.817) 10.731 18.584 ( 1.526 5.264 -6.500) 8.502 18.721 ( 5.476 4.573 3.124) 7.788 18.850 ( 0.832 -14.908 0.005) 14.932 19.306 ( 4.513 12.951 -3.074) 14.055 19.371 ( 2.370 3.104 -1.202) 4.087 19.811 ( -2.277 -0.773 0.627) 2.485 20.353 ( -1.879 -3.587 -3.573) 5.400 21.611 ( 0.045 0.259 0.022) 0.264 21.660 ( -0.486 -0.338 -0.522) 0.789 21.754 ( 0.689 0.697 1.065) 1.447 22.140 ( -3.309 -0.093 -1.192) 3.519 27.750 ( -0.610 -0.671 -0.016) 0.907 27.829 ( -0.239 -2.222 0.122) 2.238 27.918 ( -0.671 -0.086 -0.364) 0.768 27.930 ( -0.061 1.340 -0.494) 1.429 35.629 ( -0.320 -7.512 0.192) 7.521 35.885 ( -5.172 2.967 -2.923) 6.641 36.984 ( 11.602 1.939 -2.130) 11.954 37.094 ( -5.389 -1.809 16.527) 17.477 38.768 ( 0.862 1.123 -2.251) 2.660 39.026 ( 1.158 -0.512 3.017) 3.272 39.704 ( 4.596 -3.102 -6.093) 8.238 40.137 ( -2.355 -3.196 -5.905) 7.115 ======================= Grid point 274 (139/150) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 9.487 -0.057 6.867) 11.712 1.080 ( -3.299 -0.536 -3.545) 4.872 1.372 ( 0.445 -1.689 1.196) 2.117 1.445 ( -0.755 -1.208 -0.057) 1.425 1.823 ( 1.502 0.037 1.101) 1.863 1.981 ( 1.299 0.530 3.724) 3.979 2.107 ( 2.378 -1.736 -2.988) 4.195 2.470 ( 14.088 -1.917 10.387) 17.608 2.881 ( -13.727 -7.594 -5.096) 16.494 3.154 ( -4.041 3.643 -8.434) 10.037 3.544 ( 1.453 5.392 3.074) 6.375 3.850 ( 24.275 -9.737 12.120) 28.827 4.224 ( 15.593 -5.428 10.617) 19.630 4.758 ( 15.358 14.721 20.757) 29.723 4.938 ( 4.758 -3.616 6.883) 9.115 5.136 ( 2.764 -0.741 -4.546) 5.372 5.202 ( 2.541 3.789 -1.360) 4.760 5.774 ( -7.561 -4.143 2.231) 8.905 5.862 ( -3.086 3.817 3.036) 5.771 6.141 ( -13.143 4.673 -9.490) 16.871 6.506 ( -5.639 3.716 -5.356) 8.619 6.824 ( -0.961 7.121 1.997) 7.458 7.043 ( 4.706 -7.418 4.548) 9.892 7.334 ( 4.677 -1.638 -2.751) 5.668 7.466 ( -3.595 -0.586 -2.067) 4.188 7.589 ( 7.330 -8.270 -5.251) 12.236 8.077 ( 6.751 0.778 7.093) 9.823 8.240 ( -1.444 2.282 7.266) 7.751 8.641 ( -7.543 1.743 -0.550) 7.761 8.772 ( 0.092 1.676 -8.417) 8.582 9.009 ( -14.607 -2.422 -3.953) 15.325 9.484 ( -10.006 3.321 -15.166) 18.470 10.135 ( 1.469 0.384 1.301) 1.999 10.568 ( -8.527 -0.147 -6.899) 10.970 10.846 ( 2.896 3.508 -1.862) 4.916 11.046 ( 6.433 1.200 -4.276) 7.817 11.158 ( -7.028 -0.382 4.087) 8.139 11.472 ( -9.531 -0.370 -8.218) 12.590 11.826 ( 4.393 -0.877 6.282) 7.716 12.151 ( 2.282 0.897 1.246) 2.750 12.221 ( 1.313 -0.442 1.769) 2.247 12.616 ( -1.235 0.651 -2.659) 3.004 12.731 ( -1.076 0.614 -0.805) 1.477 12.985 ( -3.952 -1.519 -2.670) 5.005 13.612 ( 3.485 2.010 1.017) 4.149 13.900 ( -0.902 2.077 -3.047) 3.796 14.263 ( -0.760 -1.232 1.194) 1.876 14.420 ( 1.637 1.542 -0.319) 2.272 14.622 ( 6.911 -7.268 9.205) 13.613 15.186 ( 6.044 -11.351 2.997) 13.204 15.250 ( 4.191 10.049 14.041) 17.768 15.954 ( -17.067 -1.981 -12.235) 21.093 16.013 ( -7.136 1.397 -9.260) 11.774 16.273 ( -5.100 6.728 -11.960) 14.639 16.847 ( 1.232 -3.959 0.327) 4.159 17.174 ( 0.738 -1.069 1.544) 2.018 17.405 ( 2.894 3.553 5.106) 6.860 17.788 ( 2.368 -1.814 3.917) 4.923 18.081 ( 6.667 -4.164 8.033) 11.239 18.263 ( 3.598 4.799 -0.492) 6.018 18.455 ( 0.791 8.313 -3.214) 8.948 18.574 ( 0.829 4.066 -0.585) 4.191 18.789 ( 8.157 1.260 7.441) 11.113 19.067 ( 1.253 -14.952 1.650) 15.094 19.209 ( 1.479 3.753 -0.026) 4.034 19.391 ( 1.195 -0.918 0.733) 1.676 19.816 ( 0.017 0.063 3.793) 3.794 20.315 ( -4.456 -1.524 -4.207) 6.315 21.611 ( 0.335 -0.160 0.042) 0.374 21.655 ( -0.759 -0.717 -0.452) 1.138 21.782 ( 1.704 -0.079 2.414) 2.956 22.069 ( -3.899 0.729 -4.025) 5.651 27.752 ( -0.008 -0.240 0.084) 0.255 27.849 ( -0.722 -1.487 -0.411) 1.703 27.877 ( -0.633 2.098 -0.574) 2.265 27.933 ( -0.294 -0.759 -0.440) 0.926 35.683 ( 0.656 -0.481 0.234) 0.846 35.858 ( -3.106 -7.517 -1.044) 8.200 37.004 ( 12.241 7.804 -5.460) 15.510 37.148 ( -8.447 5.037 14.167) 17.246 38.726 ( 3.181 3.308 -3.116) 5.547 38.990 ( -0.190 5.759 -4.273) 7.174 39.871 ( 6.981 -12.306 4.206) 14.760 40.182 ( -3.177 -10.485 1.150) 11.016 ======================= Grid point 275 (140/150) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 9.451 -0.266 5.473) 10.925 0.995 ( -6.247 0.143 -3.627) 7.225 1.409 ( 1.782 -0.951 0.220) 2.032 1.444 ( -2.286 -0.297 1.441) 2.718 1.854 ( 2.503 0.446 1.574) 2.990 1.963 ( -3.920 0.615 -1.309) 4.178 2.239 ( 14.432 -1.861 5.689) 15.624 2.669 ( 1.112 1.146 -2.191) 2.711 2.815 ( -9.102 -9.175 0.995) 12.962 3.009 ( -6.302 1.016 -4.058) 7.565 3.585 ( 10.451 2.837 9.511) 14.413 4.086 ( -5.763 -1.218 -2.098) 6.253 4.648 ( 14.497 2.404 16.386) 22.010 4.798 ( 6.089 2.035 6.555) 9.175 5.104 ( 9.944 -4.495 6.390) 12.645 5.133 ( 3.782 4.785 5.966) 8.532 5.374 ( 13.422 -1.178 7.817) 15.577 5.742 ( -3.823 2.174 -8.068) 9.189 5.868 ( -3.377 -6.612 1.717) 7.620 5.965 ( -2.168 -2.947 4.740) 5.988 6.249 ( -12.242 7.582 -5.372) 15.369 6.534 ( -16.612 2.988 -23.993) 29.335 7.228 ( 4.564 2.987 9.730) 11.155 7.305 ( 0.512 3.390 2.459) 4.219 7.409 ( 9.041 3.162 9.511) 13.497 7.988 ( 15.595 -7.196 6.072) 18.218 8.146 ( -0.428 0.688 -0.565) 0.988 8.268 ( -6.978 -1.339 -1.700) 7.306 8.570 ( -2.586 -0.010 3.748) 4.553 8.652 ( -2.225 2.537 -4.997) 6.029 8.863 ( -8.174 -3.933 -7.940) 12.055 9.089 ( -10.478 6.714 -21.971) 25.251 10.169 ( 3.811 -0.435 1.083) 3.986 10.392 ( -8.177 0.633 -7.816) 11.329 10.847 ( 6.411 3.065 1.000) 7.176 11.021 ( -1.172 1.545 -4.258) 4.679 11.154 ( 1.057 -0.420 2.334) 2.597 11.323 ( -9.684 -2.359 -4.161) 10.801 11.963 ( 6.264 -2.001 4.992) 8.256 12.142 ( -2.455 -0.791 -1.829) 3.162 12.286 ( 3.491 -0.289 4.533) 5.729 12.515 ( -6.554 -0.713 -6.990) 9.608 12.777 ( 5.160 -1.633 3.488) 6.438 12.961 ( -5.875 -5.386 -2.128) 8.249 13.622 ( 7.459 5.858 0.757) 9.514 13.812 ( -5.219 4.469 -1.025) 6.946 14.276 ( 2.220 1.021 2.785) 3.705 14.417 ( -5.922 -2.916 -2.079) 6.920 14.876 ( 9.644 -3.568 13.137) 16.683 15.349 ( 3.675 5.506 5.542) 8.634 15.428 ( 0.444 -7.480 6.197) 9.724 15.714 ( -4.341 -8.839 -7.540) 12.402 15.900 ( -6.044 -3.203 -5.875) 9.017 15.980 ( -7.537 4.662 -15.403) 17.771 16.955 ( 3.278 -3.303 7.017) 8.420 17.186 ( -1.345 -3.470 -5.383) 6.544 17.415 ( 2.539 9.173 8.636) 12.852 17.688 ( -0.962 11.835 -9.356) 15.117 18.189 ( 5.755 10.745 -1.390) 12.268 18.249 ( 0.215 5.505 3.189) 6.365 18.387 ( 7.274 -1.015 0.667) 7.375 18.510 ( -2.826 2.360 1.471) 3.965 18.980 ( 8.671 -1.945 10.256) 13.570 19.213 ( -2.303 -4.213 -0.092) 4.802 19.283 ( -1.925 -11.852 4.561) 12.845 19.398 ( -0.956 -6.577 -7.081) 9.711 19.903 ( 5.830 1.584 8.769) 10.648 20.211 ( -6.654 1.016 -5.762) 8.860 21.626 ( 0.869 -0.851 0.271) 1.246 21.655 ( -0.987 -1.310 -0.417) 1.692 21.830 ( 2.140 0.399 3.160) 3.838 21.969 ( -3.579 1.578 -4.567) 6.013 27.760 ( 1.174 0.497 0.517) 1.375 27.818 ( -1.983 0.907 -1.482) 2.636 27.878 ( 0.800 -0.084 1.647) 1.833 27.930 ( -0.773 -1.055 -1.449) 1.952 35.724 ( 4.188 -0.280 3.535) 5.487 35.906 ( -4.786 -7.344 -3.819) 9.561 36.968 ( 11.863 8.505 -4.788) 15.362 37.078 ( -9.017 6.911 8.283) 14.060 38.699 ( 3.834 4.397 -0.048) 5.834 38.834 ( -2.536 6.841 -5.248) 8.987 40.185 ( 8.401 -14.422 3.481) 17.050 40.326 ( -4.983 -12.841 3.662) 14.252 ======================= Grid point 276 (141/150) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -8.387 0.153 -3.559) 9.112 0.876 ( 8.387 0.153 3.559) 9.112 1.434 ( 1.251 0.075 -0.936) 1.564 1.434 ( -1.251 0.075 0.936) 1.564 1.895 ( -3.508 0.822 -1.709) 3.988 1.895 ( 3.508 0.822 1.709) 3.988 2.514 ( -14.919 -2.393 -8.412) 17.294 2.514 ( 14.919 -2.393 8.412) 17.294 2.873 ( -5.872 2.803 -4.371) 7.839 2.873 ( 5.872 2.803 4.371) 7.839 3.869 ( -13.372 -3.053 -14.044) 19.630 3.869 ( 13.372 -3.053 14.044) 19.630 4.824 ( -4.777 0.214 -15.262) 15.993 4.824 ( 4.777 0.214 15.262) 15.993 5.218 ( 4.784 1.550 -9.912) 11.115 5.218 ( -4.784 1.550 9.912) 11.115 5.537 ( -6.764 2.482 -5.593) 9.121 5.537 ( 6.764 2.482 5.593) 9.121 5.990 ( -9.810 8.750 -0.865) 13.174 5.990 ( 9.810 8.750 0.865) 13.174 6.235 ( -11.120 -18.962 -11.582) 24.847 6.235 ( 11.120 -18.962 11.582) 24.847 7.277 ( 4.389 1.747 -7.348) 8.735 7.277 ( -4.389 1.747 7.348) 8.735 7.740 ( -21.510 9.374 -35.257) 42.351 7.740 ( 21.510 9.374 35.257) 42.351 8.100 ( -4.091 9.673 -7.190) 12.728 8.100 ( 4.091 9.673 7.190) 12.728 8.660 ( 4.747 -5.301 -6.120) 9.385 8.660 ( -4.747 -5.301 6.120) 9.385 8.840 ( 3.067 -1.278 -7.203) 7.933 8.840 ( -3.067 -1.278 7.203) 7.933 10.267 ( -6.665 -2.382 -3.097) 7.726 10.267 ( 6.665 -2.382 3.097) 7.726 10.905 ( -5.341 2.547 -3.212) 6.733 10.905 ( 5.341 2.547 3.212) 6.733 11.240 ( -6.163 -2.348 -1.179) 6.700 11.240 ( 6.163 -2.348 1.179) 6.700 12.089 ( -5.447 -1.068 -2.596) 6.128 12.089 ( 5.447 -1.068 2.596) 6.128 12.394 ( -5.941 -1.018 -5.631) 8.249 12.394 ( 5.941 -1.018 5.631) 8.249 12.938 ( -7.946 -6.310 -3.713) 10.805 12.938 ( 7.946 -6.310 3.713) 10.805 13.637 ( -7.812 7.286 -1.801) 10.833 13.637 ( 7.812 7.286 1.801) 10.833 14.345 ( -4.684 -0.255 -3.368) 5.775 14.345 ( 4.684 -0.255 3.368) 5.775 15.158 ( -9.615 -0.102 -14.015) 16.996 15.158 ( 9.615 -0.102 14.015) 16.996 15.654 ( -6.592 -0.574 -19.518) 20.609 15.654 ( 6.592 -0.574 19.518) 20.609 15.904 ( -0.940 -8.787 -4.534) 9.932 15.904 ( 0.940 -8.787 4.534) 9.932 17.125 ( -3.370 -2.679 -10.775) 11.603 17.125 ( 3.370 -2.679 10.775) 11.603 17.391 ( -2.245 11.672 -9.805) 15.408 17.391 ( 2.245 11.672 9.805) 15.408 18.092 ( 3.303 10.950 -6.290) 13.053 18.092 ( -3.303 10.950 6.290) 13.053 18.489 ( 5.744 -1.145 -5.548) 8.067 18.489 ( -5.744 -1.145 5.548) 8.067 19.174 ( -7.534 -1.482 -6.005) 9.747 19.174 ( 7.534 -1.482 6.005) 9.747 19.475 ( 1.156 -13.336 -9.090) 16.181 19.475 ( -1.156 -13.336 9.090) 16.181 20.031 ( -6.859 4.064 -8.966) 11.998 20.031 ( 6.859 4.064 8.966) 11.998 21.658 ( -0.941 -1.563 -0.630) 1.930 21.658 ( 0.941 -1.563 0.630) 1.930 21.873 ( -2.446 1.668 -3.411) 4.516 21.873 ( 2.446 1.668 3.411) 4.516 27.772 ( -1.892 1.111 -0.759) 2.322 27.772 ( 1.892 1.111 0.759) 2.322 27.915 ( -1.133 -0.872 -2.209) 2.631 27.915 ( 1.133 -0.872 2.209) 2.631 35.852 ( -7.066 -2.156 -6.458) 9.813 35.852 ( 7.066 -2.156 6.458) 9.813 36.952 ( 6.598 5.618 -4.995) 10.002 36.952 ( -6.598 5.618 4.995) 10.002 38.687 ( -2.840 4.519 -2.179) 5.765 38.687 ( 2.840 4.519 2.179) 5.765 40.452 ( 0.498 -11.098 -1.393) 11.196 40.452 ( -0.498 -11.098 1.393) 11.196 ======================= Grid point 280 (142/150) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -2.064 -0.000 -0.225) 2.076 1.080 ( 1.446 0.000 -8.972) 9.088 1.248 ( -1.235 -0.000 -4.737) 4.895 1.377 ( 2.298 0.000 -1.659) 2.834 1.764 ( -2.995 -0.000 2.587) 3.958 1.855 ( -1.778 -0.000 -0.155) 1.784 2.054 ( 3.617 0.000 -2.717) 4.524 2.558 ( 17.238 0.000 -19.080) 25.714 2.830 ( -4.178 -0.000 -7.957) 8.988 3.252 ( -5.664 -0.000 -11.804) 13.093 3.477 ( 7.822 0.000 1.050) 7.892 3.809 ( 16.940 0.000 -20.595) 26.666 4.061 ( 7.386 0.000 -12.819) 14.795 4.173 ( -10.135 -0.000 5.254) 11.416 4.497 ( 11.618 0.000 5.145) 12.706 5.016 ( -1.066 -0.000 -3.266) 3.436 5.359 ( 4.509 0.000 -9.075) 10.133 5.547 ( 8.202 0.000 2.388) 8.543 6.024 ( 10.540 0.000 -3.430) 11.084 6.167 ( 4.225 0.000 -0.679) 4.279 6.480 ( 8.164 0.000 5.343) 9.757 6.482 ( 4.133 0.000 16.699) 17.203 6.996 ( -4.082 -0.000 -9.859) 10.670 7.037 ( -15.694 -0.000 -2.092) 15.833 7.769 ( -12.321 -0.000 5.701) 13.577 8.028 ( -12.502 -0.000 6.179) 13.946 8.221 ( 9.150 0.000 -9.924) 13.498 8.593 ( -8.879 -0.000 9.640) 13.106 8.799 ( -5.407 -0.000 11.367) 12.588 8.805 ( -2.505 -0.000 -1.378) 2.859 9.062 ( 6.887 0.000 27.408) 28.261 9.668 ( -11.443 -0.000 -4.101) 12.156 10.129 ( -2.961 -0.000 2.409) 3.818 10.718 ( -1.510 -0.000 9.338) 9.460 10.796 ( -4.586 -0.000 -1.598) 4.856 11.046 ( 4.585 0.000 -8.175) 9.373 11.050 ( 0.553 0.000 8.551) 8.569 11.789 ( -5.700 -0.000 -4.197) 7.079 11.792 ( 0.325 0.000 -0.015) 0.325 12.020 ( 11.530 0.000 3.667) 12.099 12.277 ( -0.359 -0.000 -1.320) 1.367 12.663 ( -3.139 -0.000 8.815) 9.357 12.746 ( 0.298 0.000 -8.433) 8.438 13.350 ( 0.332 0.000 -0.679) 0.755 13.436 ( 5.189 0.000 -6.873) 8.612 13.766 ( 7.777 0.000 -0.326) 7.784 13.962 ( 2.493 0.000 -6.244) 6.723 14.232 ( -12.275 -0.000 -13.321) 18.114 14.859 ( 13.066 0.000 2.529) 13.308 15.331 ( -7.625 -0.000 15.240) 17.041 15.824 ( -5.539 -0.000 -2.210) 5.964 16.020 ( -1.340 -0.000 2.963) 3.252 16.137 ( 2.719 0.000 9.245) 9.636 16.579 ( 9.355 0.000 4.592) 10.421 16.819 ( -13.474 -0.000 1.556) 13.563 16.949 ( -0.430 -0.000 -2.802) 2.835 17.229 ( -5.666 -0.000 -2.594) 6.231 17.432 ( -0.905 -0.000 5.825) 5.895 17.874 ( -4.133 -0.000 -3.100) 5.166 18.157 ( -1.236 -0.000 4.576) 4.741 18.255 ( 3.981 0.000 -1.501) 4.255 18.437 ( 4.629 0.000 7.134) 8.505 18.702 ( 4.808 0.000 1.849) 5.151 18.803 ( -4.268 -0.000 -11.261) 12.043 19.531 ( 6.448 0.000 -3.932) 7.552 19.610 ( 4.517 0.000 -7.960) 9.152 19.945 ( 0.291 0.000 -4.207) 4.217 20.183 ( 0.601 0.000 -2.748) 2.813 21.624 ( -0.466 -0.000 0.687) 0.830 21.662 ( 0.302 0.000 -2.094) 2.115 21.794 ( -1.410 -0.000 0.589) 1.528 22.138 ( -1.844 -0.000 4.623) 4.977 27.744 ( -0.127 -0.000 -1.382) 1.388 27.749 ( -0.592 -0.000 1.669) 1.771 27.886 ( 0.146 0.000 0.717) 0.731 27.992 ( -0.161 -0.000 -0.797) 0.813 35.438 ( -1.845 -0.000 0.417) 1.891 36.149 ( -11.303 -0.000 -7.854) 13.764 36.769 ( 4.215 0.000 15.873) 16.423 36.796 ( 11.169 0.000 -2.503) 11.446 38.807 ( -1.051 -0.000 2.733) 2.928 38.816 ( 0.379 0.000 11.118) 11.125 39.877 ( -0.827 -0.000 -21.675) 21.690 40.302 ( -1.282 -0.000 -16.403) 16.453 ======================= Grid point 281 (143/150) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 4.934 3.401 5.619) 8.215 1.035 ( 1.033 -4.049 -6.587) 7.801 1.220 ( -1.265 -1.994 -1.076) 2.595 1.389 ( 1.642 -0.929 -2.359) 3.020 1.774 ( -1.474 -0.734 3.375) 3.755 1.858 ( 1.663 0.102 1.163) 2.031 2.055 ( 0.544 -1.741 -4.104) 4.491 2.567 ( 8.409 -6.428 -14.209) 17.718 2.916 ( 12.331 11.308 2.599) 16.932 3.071 ( 11.824 -2.890 -4.499) 12.977 3.555 ( -2.185 3.402 -0.858) 4.133 3.618 ( 17.177 13.239 -7.902) 23.081 4.073 ( -2.483 0.894 -4.321) 5.063 4.366 ( 14.537 -28.950 -12.471) 34.712 4.757 ( 13.661 4.375 21.678) 25.995 5.035 ( 2.423 -1.220 1.899) 3.311 5.350 ( 9.928 3.570 -1.947) 10.729 5.648 ( 10.716 4.600 0.996) 11.704 6.077 ( 2.143 1.511 4.385) 5.109 6.227 ( 2.965 -5.119 -7.630) 9.655 6.518 ( 7.680 6.688 4.961) 11.328 6.750 ( 0.108 -9.212 0.505) 9.227 6.822 ( -8.311 -0.491 -9.528) 12.653 6.976 ( -6.505 -14.467 3.315) 16.205 7.546 ( -15.256 15.597 5.661) 22.540 7.975 ( -12.144 -0.916 3.339) 12.628 8.157 ( 3.030 5.798 -6.073) 8.926 8.570 ( -0.718 7.318 6.992) 10.146 8.689 ( -11.208 -2.055 0.048) 11.395 8.806 ( -7.207 -0.711 1.639) 7.425 9.296 ( -12.125 6.486 0.682) 13.767 9.500 ( -4.720 -7.192 4.232) 9.587 10.138 ( 0.047 0.798 3.568) 3.657 10.698 ( -7.381 0.128 -3.459) 8.153 10.815 ( -0.736 -1.225 10.009) 10.111 11.025 ( 4.241 -1.124 -5.097) 6.725 11.113 ( -3.416 -1.156 4.341) 5.644 11.667 ( -6.486 0.176 -7.003) 9.547 11.825 ( 3.445 2.468 4.313) 6.046 12.112 ( 2.034 -0.594 -0.750) 2.248 12.291 ( 7.686 4.944 1.962) 9.347 12.692 ( 0.165 -4.096 -7.558) 8.598 12.723 ( -0.324 3.449 10.311) 10.878 13.329 ( 4.774 9.624 -10.044) 14.707 13.395 ( -2.267 -6.538 0.945) 6.985 13.834 ( 1.869 -5.803 -6.223) 8.711 13.992 ( 7.219 -2.872 -2.797) 8.258 14.100 ( -1.300 -5.985 -2.695) 6.691 14.934 ( 8.375 11.599 1.304) 14.366 15.240 ( -10.519 7.551 4.311) 13.647 15.639 ( -10.980 7.021 -2.591) 13.288 15.994 ( -7.549 -2.160 -2.880) 8.364 16.258 ( -1.275 1.071 3.929) 4.267 16.601 ( -8.290 0.488 -1.533) 8.444 16.698 ( 4.746 1.249 0.450) 4.928 17.036 ( 1.463 -10.423 -1.898) 10.695 17.325 ( 0.397 -4.463 10.280) 11.214 17.428 ( 1.053 4.138 6.859) 8.079 17.862 ( 1.101 -2.398 3.007) 4.000 18.173 ( -1.002 0.727 3.057) 3.299 18.377 ( 3.892 -11.618 -1.517) 12.346 18.515 ( 0.759 -2.038 0.921) 2.361 18.766 ( 7.756 2.736 3.129) 8.800 18.813 ( 7.858 1.745 6.167) 10.140 19.498 ( 4.482 5.774 -4.412) 8.538 19.586 ( 6.924 2.550 -10.438) 12.783 19.833 ( -3.814 5.221 -1.428) 6.621 20.201 ( -1.317 -6.852 -5.168) 8.682 21.624 ( -0.128 0.604 0.525) 0.811 21.651 ( 0.121 -0.402 -1.264) 1.332 21.781 ( -0.700 0.867 0.839) 1.395 22.130 ( -4.664 -0.390 0.579) 4.716 27.736 ( -0.276 -0.167 -0.260) 0.415 27.766 ( -0.592 -1.811 0.552) 1.984 27.896 ( -0.259 -0.827 0.337) 0.930 27.972 ( -0.440 0.979 -1.150) 1.574 35.455 ( -0.990 -3.902 0.656) 4.078 35.946 ( -11.211 0.704 -6.319) 12.888 36.986 ( 12.136 -1.007 5.664) 13.430 37.005 ( 6.161 -2.772 19.783) 20.905 38.791 ( -0.577 1.133 -0.204) 1.288 38.959 ( 0.963 -3.071 9.588) 10.114 39.689 ( 5.216 0.567 -18.939) 19.653 40.108 ( -3.412 0.093 -16.397) 16.748 ======================= Grid point 282 (144/150) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 7.606 1.482 8.620) 11.591 1.038 ( -0.454 -2.783 -5.373) 6.068 1.266 ( -1.622 -5.727 2.784) 6.571 1.391 ( 1.941 -1.837 -4.370) 5.123 1.811 ( 0.439 -0.965 2.532) 2.745 1.927 ( 3.571 -2.632 5.022) 6.701 2.029 ( -2.657 -1.704 -3.716) 4.876 2.610 ( 14.199 5.116 -2.472) 15.294 2.724 ( -13.996 -2.529 -7.801) 16.221 3.330 ( -3.397 9.278 -7.576) 12.450 3.631 ( 43.290 -4.053 18.647) 47.310 3.673 ( 11.102 5.712 3.045) 12.851 4.079 ( 3.571 -4.825 -0.032) 6.003 4.717 ( 9.935 -14.588 -5.273) 18.420 5.056 ( 11.447 3.398 16.368) 20.261 5.105 ( 7.091 -1.843 2.883) 7.873 5.403 ( 6.753 8.602 2.826) 11.296 5.691 ( 6.105 3.211 4.094) 8.021 6.030 ( -12.787 5.636 -2.339) 14.169 6.193 ( 3.249 1.416 -3.061) 4.683 6.517 ( -2.197 1.240 -9.897) 10.213 6.668 ( 3.196 -8.226 -3.364) 9.444 7.014 ( 4.415 -17.337 4.677) 18.492 7.122 ( -10.681 -2.917 0.649) 11.091 7.308 ( 1.736 2.573 3.184) 4.447 7.752 ( -10.965 9.370 -7.221) 16.130 8.121 ( 0.428 1.216 3.143) 3.397 8.457 ( -8.785 7.058 -3.869) 11.915 8.636 ( -8.177 0.712 9.290) 12.396 8.747 ( -1.185 -3.389 -7.242) 8.083 8.983 ( -21.293 0.975 -2.462) 21.457 9.547 ( -3.589 1.542 -3.623) 5.327 10.171 ( 2.198 1.987 4.183) 5.126 10.570 ( -7.863 0.379 -4.783) 9.211 10.893 ( 0.716 1.208 5.252) 5.436 11.069 ( 4.363 -0.421 -0.529) 4.415 11.126 ( -4.280 -1.371 4.798) 6.574 11.507 ( -6.600 2.040 -8.453) 10.917 11.861 ( 2.804 3.087 4.807) 6.364 12.109 ( -1.407 -2.103 -2.808) 3.780 12.324 ( 7.458 6.356 3.237) 10.320 12.657 ( -1.606 0.259 -4.983) 5.241 12.774 ( 2.017 3.632 7.274) 8.377 13.102 ( -0.403 9.955 -9.038) 13.451 13.525 ( 0.195 -8.698 4.588) 9.836 13.862 ( 0.665 -6.599 -7.323) 9.880 14.095 ( 5.109 -5.338 -2.936) 7.951 14.257 ( 4.431 -10.714 2.523) 11.866 14.776 ( 0.972 13.857 0.565) 13.903 15.145 ( 1.365 5.379 3.471) 6.545 15.440 ( -7.918 1.815 -1.242) 8.217 15.860 ( -14.933 -4.520 -9.186) 18.106 16.124 ( -5.896 8.752 -2.697) 10.892 16.483 ( -2.299 7.399 -3.970) 8.706 16.773 ( 4.786 -2.605 -0.962) 5.534 17.093 ( 0.440 0.529 -4.838) 4.886 17.499 ( -1.623 -15.526 13.139) 20.405 17.565 ( 4.185 3.415 13.107) 14.176 18.002 ( 3.804 -1.680 10.099) 10.922 18.217 ( 0.824 -3.734 4.057) 5.575 18.466 ( -1.788 -9.220 -9.543) 13.389 18.639 ( 6.370 -3.495 3.331) 7.993 18.875 ( 10.237 3.221 4.949) 11.818 18.902 ( 7.609 6.398 6.055) 11.640 19.411 ( 1.288 5.936 -6.567) 8.945 19.459 ( 3.267 8.566 -6.104) 11.014 19.785 ( -2.132 -1.726 3.273) 4.270 20.207 ( -3.407 -6.282 -6.438) 9.619 21.617 ( 0.196 0.567 -0.055) 0.602 21.646 ( -0.563 -0.163 -0.406) 0.713 21.786 ( 1.085 0.344 1.928) 2.239 22.069 ( -5.108 -0.484 -2.857) 5.873 27.736 ( -0.242 -0.544 0.116) 0.607 27.792 ( -0.575 -2.411 -0.084) 2.480 27.903 ( -0.486 -0.535 -0.316) 0.789 27.939 ( -0.616 1.239 -0.859) 1.629 35.529 ( 0.487 -6.947 0.164) 6.966 35.790 ( -8.360 -0.954 -3.695) 9.190 37.140 ( 10.268 2.751 3.310) 11.134 37.258 ( -0.575 3.010 20.282) 20.512 38.782 ( 3.155 0.794 -0.884) 3.372 39.072 ( 1.475 0.036 3.614) 3.904 39.635 ( 6.695 -4.752 -9.417) 12.494 39.956 ( -4.837 -5.809 -10.659) 13.067 ======================= Grid point 283 (145/150) ======================= q-point: ( 0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 7.353 0.275 7.681) 10.637 0.984 ( -3.657 -0.944 -5.814) 6.933 1.350 ( -1.052 -3.970 3.100) 5.146 1.400 ( 0.979 -2.863 -3.600) 4.703 1.855 ( 2.188 -0.398 1.935) 2.948 1.969 ( -3.544 -0.216 -2.567) 4.382 2.117 ( 7.832 -6.657 6.908) 12.385 2.543 ( -14.763 -6.940 -8.193) 18.255 2.742 ( 14.846 3.337 5.002) 16.018 3.098 ( -6.836 5.966 -6.605) 11.223 3.747 ( 11.457 6.787 6.907) 15.001 4.079 ( 2.434 -0.041 0.724) 2.540 4.449 ( 33.022 -9.165 16.174) 37.895 4.876 ( -0.453 -4.585 3.395) 5.724 5.143 ( 0.770 -4.289 -1.365) 4.566 5.228 ( -0.288 12.521 3.852) 13.103 5.429 ( 17.977 1.333 10.884) 21.058 5.674 ( -1.556 7.442 3.689) 8.451 5.893 ( -6.180 0.024 -2.802) 6.785 6.022 ( -4.408 9.112 -5.868) 11.700 6.344 ( -12.309 0.006 -5.026) 13.296 6.702 ( -16.022 5.484 -22.111) 27.851 7.098 ( 16.110 -12.333 12.456) 23.807 7.318 ( 5.549 -7.291 3.357) 9.757 7.470 ( 0.939 -0.044 -5.375) 5.456 7.589 ( 8.769 -10.198 5.264) 14.443 8.120 ( -10.814 -5.228 -0.064) 12.012 8.255 ( -6.842 -0.263 -2.449) 7.272 8.625 ( -4.319 1.920 4.383) 6.446 8.735 ( -2.552 2.472 -1.145) 3.733 8.808 ( -4.300 2.835 5.806) 7.761 9.303 ( -9.569 7.444 -17.865) 21.590 10.210 ( 3.653 2.875 4.139) 6.225 10.427 ( -7.381 1.573 -5.476) 9.324 10.927 ( 3.245 2.925 4.356) 6.170 11.071 ( 2.930 2.139 -5.369) 6.480 11.146 ( -3.391 -0.119 6.241) 7.104 11.316 ( -6.462 2.331 -8.556) 10.972 11.928 ( 3.734 -0.108 6.068) 7.126 12.089 ( -2.476 -2.357 -3.353) 4.789 12.349 ( 4.787 4.921 4.215) 8.056 12.546 ( -3.984 3.022 -6.495) 8.197 12.804 ( 2.862 3.596 4.324) 6.310 12.937 ( -2.238 3.695 -3.854) 5.789 13.681 ( 3.787 -3.126 5.379) 7.283 13.859 ( -0.612 -1.989 -5.700) 6.068 14.195 ( 1.838 -6.592 0.371) 6.853 14.342 ( -4.350 -3.080 -4.828) 7.192 14.818 ( 9.579 -1.149 13.390) 16.503 15.175 ( 3.232 -2.621 0.019) 4.161 15.422 ( 0.664 -6.338 -2.314) 6.780 15.627 ( -16.765 -0.771 -6.644) 18.050 15.947 ( -1.539 10.741 2.843) 11.217 16.229 ( -4.584 12.318 -12.594) 18.203 16.862 ( 4.876 -2.576 3.121) 6.336 17.051 ( -2.945 -4.280 -5.587) 7.629 17.657 ( 2.588 4.969 11.056) 12.395 17.777 ( 0.343 -6.739 3.798) 7.743 18.160 ( 1.745 -3.454 13.597) 14.137 18.346 ( 5.554 -1.839 2.863) 6.513 18.453 ( 0.113 -2.393 -6.796) 7.206 18.619 ( -1.372 5.200 -8.133) 9.750 18.993 ( 9.451 3.780 6.254) 11.946 19.014 ( 8.109 -1.711 6.892) 10.778 19.245 ( -2.599 6.188 -4.482) 8.071 19.353 ( -4.670 0.731 -5.421) 7.193 19.885 ( 4.305 -2.653 7.822) 9.315 20.165 ( -5.496 -4.341 -7.141) 10.002 21.616 ( 0.492 0.109 0.060) 0.507 21.635 ( -0.846 -0.179 -0.366) 0.939 21.832 ( 2.610 -0.188 3.276) 4.193 21.986 ( -4.427 -0.170 -4.240) 6.132 27.751 ( 0.682 -0.860 0.726) 1.316 27.803 ( -1.516 -1.686 -1.265) 2.596 27.895 ( 0.078 0.775 0.360) 0.858 27.919 ( -0.497 0.093 -0.750) 0.904 35.639 ( 2.126 -6.755 -0.022) 7.082 35.730 ( -5.005 -4.491 -1.210) 6.833 37.191 ( 10.684 7.307 -2.259) 13.139 37.280 ( -8.122 8.405 11.856) 16.649 38.815 ( 4.951 3.614 3.291) 6.958 39.013 ( -1.390 6.008 -5.861) 8.508 39.795 ( 6.880 -13.505 0.754) 15.175 39.968 ( -5.159 -13.069 -3.121) 14.393 ======================= Grid point 284 (146/150) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -6.365 -0.176 -6.251) 8.923 0.877 ( 6.365 -0.176 6.251) 8.923 1.410 ( 1.890 -2.103 -3.256) 4.312 1.410 ( -1.890 -2.103 3.256) 4.312 1.908 ( -3.312 0.050 -2.284) 4.024 1.908 ( 3.312 0.050 2.284) 4.024 2.401 ( -14.170 -6.834 -8.231) 17.755 2.401 ( 14.170 -6.834 8.231) 17.755 2.903 ( -8.047 1.609 -6.654) 10.565 2.903 ( 8.047 1.609 6.654) 10.565 3.902 ( -13.788 4.590 -11.645) 18.622 3.902 ( 13.788 4.590 11.645) 18.622 4.856 ( -1.581 0.781 -3.272) 3.717 4.856 ( 1.581 0.781 3.272) 3.717 5.200 ( 5.181 -3.261 -3.686) 7.146 5.200 ( -5.181 -3.261 3.686) 7.146 5.668 ( -8.366 7.626 -8.298) 14.036 5.668 ( 8.366 7.626 8.298) 14.036 5.810 ( -16.302 -7.544 -12.693) 21.995 5.810 ( 16.302 -7.544 12.693) 21.995 6.262 ( -1.700 8.319 -15.923) 18.046 6.262 ( 1.700 8.319 15.923) 18.046 7.319 ( 3.283 1.820 -10.641) 11.284 7.319 ( -3.283 1.820 10.641) 11.284 7.775 ( -13.529 -12.624 -16.022) 24.477 7.775 ( 13.529 -12.624 16.022) 24.477 8.170 ( -2.629 -2.822 -5.222) 6.491 8.170 ( 2.629 -2.822 5.222) 6.491 8.615 ( 1.658 2.579 -5.598) 6.383 8.615 ( -1.658 2.579 5.598) 6.383 8.898 ( -8.234 7.079 -15.092) 18.593 8.898 ( 8.234 7.079 15.092) 18.593 10.269 ( -5.963 2.332 -5.362) 8.352 10.269 ( 5.963 2.332 5.362) 8.352 10.976 ( -3.203 2.921 -5.708) 7.168 10.976 ( 3.203 2.921 5.708) 7.168 11.192 ( -0.950 -0.718 -5.314) 5.446 11.192 ( 0.950 -0.718 5.314) 5.446 12.044 ( -4.310 -2.044 -4.699) 6.696 12.044 ( 4.310 -2.044 4.699) 6.696 12.398 ( -4.512 2.168 -6.061) 7.861 12.398 ( 4.512 2.168 6.061) 7.861 12.850 ( -3.279 0.109 -3.752) 4.984 12.850 ( 3.279 0.109 3.752) 4.984 13.779 ( -4.202 2.542 -4.463) 6.636 13.779 ( 4.202 2.542 4.463) 6.636 14.301 ( -3.043 -3.490 -1.705) 4.935 14.301 ( 3.043 -3.490 1.705) 4.935 15.116 ( -11.145 -3.261 -15.360) 19.256 15.116 ( 11.145 -3.261 15.360) 19.256 15.548 ( 7.765 -8.334 -5.422) 12.615 15.548 ( -7.765 -8.334 5.422) 12.615 15.885 ( -3.128 10.154 -11.242) 15.468 15.885 ( 3.128 10.154 11.242) 15.468 17.013 ( -3.797 -4.868 -7.438) 9.666 17.013 ( 3.797 -4.868 7.438) 9.666 17.703 ( -2.245 8.397 -10.926) 13.962 17.703 ( 2.245 8.397 10.926) 13.962 18.324 ( 3.524 2.915 -11.415) 12.297 18.324 ( -3.524 2.915 11.415) 12.297 18.475 ( -5.022 1.181 -3.819) 6.419 18.475 ( 5.022 1.181 3.819) 6.419 19.101 ( -3.034 -2.385 -5.154) 6.439 19.101 ( 3.034 -2.385 5.154) 6.439 19.237 ( -5.950 -2.877 -5.997) 8.924 19.237 ( 5.950 -2.877 5.997) 8.924 20.062 ( -6.816 -1.571 -8.438) 10.961 20.062 ( 6.816 -1.571 8.438) 10.961 21.628 ( -0.811 -0.584 -0.346) 1.058 21.628 ( 0.811 -0.584 0.346) 1.058 21.901 ( -3.345 0.336 -4.118) 5.316 21.901 ( 3.345 0.336 4.118) 5.316 27.785 ( -1.667 -0.505 -1.378) 2.221 27.785 ( 1.667 -0.505 1.378) 2.221 27.902 ( -0.634 0.088 -1.353) 1.497 27.902 ( 0.634 0.088 1.353) 1.497 35.751 ( -2.627 -5.408 -2.234) 6.414 35.751 ( 2.627 -5.408 2.234) 6.414 37.149 ( 10.948 8.735 -7.244) 15.769 37.149 ( -10.948 8.735 7.244) 15.769 38.838 ( -3.861 6.269 -4.974) 8.886 38.838 ( 3.861 6.269 4.974) 8.886 40.083 ( -2.283 -15.527 -3.623) 16.107 40.083 ( 2.283 -15.527 3.623) 16.107 ======================= Grid point 290 (147/150) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 5.506 0.000 8.532) 10.155 0.967 ( 2.771 0.000 -4.826) 5.566 1.181 ( -1.934 -0.000 0.504) 1.999 1.367 ( -0.404 -0.000 -2.493) 2.525 1.793 ( -0.038 -0.000 3.164) 3.164 1.907 ( 4.167 0.000 2.671) 4.949 2.000 ( -0.806 -0.000 -4.596) 4.666 2.583 ( 7.680 0.000 -1.202) 7.774 2.772 ( -7.318 -0.000 -13.522) 15.375 3.501 ( -8.335 -0.000 -4.762) 9.600 3.561 ( 34.581 0.000 18.309) 39.129 3.955 ( 5.691 0.000 0.994) 5.778 4.093 ( 25.303 0.000 -8.732) 26.767 4.182 ( 22.998 0.000 1.572) 23.052 5.044 ( -2.040 -0.000 0.544) 2.111 5.116 ( 12.831 0.000 15.397) 20.042 5.514 ( 12.358 0.000 5.495) 13.525 5.853 ( 10.939 0.000 -0.179) 10.940 6.029 ( -8.502 -0.000 -0.411) 8.512 6.292 ( 14.180 0.000 0.396) 14.186 6.588 ( -4.825 -0.000 -0.491) 4.850 6.600 ( -11.771 -0.000 -9.038) 14.841 6.760 ( -0.271 -0.000 -4.701) 4.709 6.815 ( 4.053 0.000 7.599) 8.612 7.527 ( -14.394 -0.000 -1.174) 14.442 7.880 ( -11.628 -0.000 1.573) 11.734 8.058 ( -10.587 -0.000 -5.185) 11.789 8.593 ( -24.154 -0.000 -14.499) 28.171 8.613 ( 6.671 0.000 -7.718) 10.202 8.703 ( -3.274 -0.000 15.793) 16.128 9.012 ( -19.763 -0.000 -1.880) 19.852 9.572 ( -1.061 -0.000 1.833) 2.118 10.205 ( 2.993 0.000 4.855) 5.704 10.578 ( -7.781 -0.000 -3.869) 8.690 10.951 ( 2.008 0.000 15.331) 15.462 11.013 ( 4.598 0.000 -2.801) 5.384 11.112 ( -4.152 -0.000 5.314) 6.744 11.538 ( -5.410 -0.000 -7.103) 8.929 11.919 ( 2.514 0.000 3.315) 4.161 12.078 ( -1.230 -0.000 -2.737) 3.001 12.459 ( 8.845 0.000 1.904) 9.048 12.610 ( 0.647 0.000 -3.023) 3.092 12.884 ( 1.405 0.000 13.944) 14.015 13.319 ( -1.449 -0.000 -1.122) 1.832 13.376 ( 5.345 0.000 -9.822) 11.183 13.625 ( -5.508 -0.000 -11.750) 12.977 14.042 ( 8.920 0.000 -2.092) 9.161 14.111 ( 6.641 0.000 1.745) 6.866 15.131 ( -16.134 -0.000 -1.123) 16.173 15.135 ( 8.041 0.000 -0.984) 8.101 15.426 ( -16.970 -0.000 -8.111) 18.808 15.770 ( -11.923 -0.000 -11.912) 16.854 16.412 ( 5.315 0.000 4.558) 7.002 16.472 ( -9.038 -0.000 1.980) 9.252 16.841 ( 8.148 0.000 5.928) 10.076 16.953 ( 1.645 0.000 5.162) 5.418 17.452 ( -1.285 -0.000 -1.187) 1.750 17.477 ( 2.088 0.000 3.070) 3.713 17.997 ( 7.045 0.000 22.042) 23.140 18.198 ( -2.123 -0.000 -6.332) 6.678 18.214 ( -1.548 -0.000 1.704) 2.302 18.601 ( 5.704 0.000 4.560) 7.303 18.926 ( 10.354 0.000 5.307) 11.635 19.002 ( 9.309 0.000 8.484) 12.595 19.510 ( 1.016 0.000 -8.715) 8.774 19.590 ( 7.806 0.000 -7.375) 10.740 19.804 ( -5.496 -0.000 -2.140) 5.898 20.064 ( -2.808 -0.000 -6.494) 7.075 21.635 ( -0.658 -0.000 1.139) 1.315 21.637 ( 0.712 0.000 -1.567) 1.721 21.793 ( 0.038 0.000 1.750) 1.750 22.059 ( -5.604 -0.000 -2.528) 6.148 27.737 ( 0.771 0.000 -0.367) 0.854 27.746 ( -1.256 -0.000 0.673) 1.425 27.889 ( -0.108 -0.000 0.011) 0.108 27.959 ( -1.028 -0.000 -1.326) 1.678 35.429 ( 0.269 0.000 0.686) 0.737 35.768 ( -10.703 -0.000 -5.178) 11.889 37.177 ( 6.034 0.000 13.397) 14.693 37.293 ( 10.226 0.000 18.386) 21.038 38.789 ( 2.406 0.000 -0.757) 2.523 39.051 ( 1.632 0.000 8.740) 8.891 39.586 ( 7.440 0.000 -16.116) 17.751 39.883 ( -6.100 -0.000 -17.572) 18.601 ======================= Grid point 291 (148/150) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 4.913 1.006 8.390) 9.775 0.953 ( 0.100 -1.205 -6.160) 6.277 1.219 ( 0.096 -3.954 4.070) 5.675 1.334 ( -0.911 -1.494 -4.123) 4.479 1.835 ( 1.138 -0.804 3.160) 3.454 1.946 ( -2.310 -0.868 -3.856) 4.578 2.014 ( 7.030 -1.150 6.131) 9.398 2.434 ( -14.701 -1.722 -11.150) 18.531 2.827 ( 17.285 2.090 3.152) 17.694 3.279 ( -11.949 5.598 -7.439) 15.148 3.874 ( 9.244 2.557 4.575) 10.627 4.014 ( -0.728 -4.794 -0.676) 4.896 4.357 ( 40.746 3.307 9.408) 41.948 4.757 ( 25.546 -4.804 18.455) 31.879 4.986 ( -10.057 -3.270 -0.815) 10.606 5.366 ( 14.534 -2.412 6.049) 15.926 5.572 ( -7.323 8.396 -0.253) 11.144 5.850 ( -0.986 -1.588 -9.215) 9.402 5.992 ( 6.440 6.679 8.848) 12.820 6.320 ( 4.849 10.145 -3.832) 11.880 6.359 ( -9.114 6.597 -2.327) 11.489 6.619 ( 4.418 -5.139 -7.766) 10.307 6.868 ( 2.040 -13.188 2.988) 13.675 6.987 ( -1.514 -12.346 5.409) 13.564 7.296 ( -7.637 2.421 -4.093) 8.996 7.653 ( -12.177 2.185 -12.516) 17.598 8.009 ( -11.631 -5.600 4.780) 13.765 8.167 ( -17.563 -1.249 -12.518) 21.603 8.646 ( 10.310 0.232 -6.981) 12.454 8.789 ( -11.882 1.151 11.601) 16.646 8.924 ( 1.659 3.046 12.011) 12.502 9.434 ( -8.850 2.459 -13.545) 16.366 10.280 ( 4.474 1.731 4.343) 6.472 10.463 ( -6.505 0.868 -3.045) 7.235 11.018 ( 3.760 3.695 4.305) 6.806 11.093 ( -0.765 -0.589 2.429) 2.614 11.162 ( 0.855 0.636 9.087) 9.149 11.399 ( -4.541 2.432 -8.031) 9.541 11.953 ( 1.854 1.234 2.797) 3.575 12.044 ( -1.413 -0.911 -2.789) 3.256 12.504 ( 5.420 5.386 1.982) 7.894 12.608 ( -1.244 0.198 -1.735) 2.144 12.964 ( 1.895 8.128 9.882) 12.935 13.159 ( -0.110 12.267 -9.431) 15.474 13.438 ( 0.820 -11.871 5.445) 13.086 13.623 ( -1.397 -14.497 -9.606) 17.447 14.115 ( 7.388 0.107 -0.918) 7.446 14.213 ( 2.900 -3.903 -0.351) 4.875 14.895 ( -3.781 6.720 0.519) 7.728 15.155 ( -12.395 -8.271 -12.506) 19.453 15.282 ( 3.666 3.106 5.756) 7.498 15.570 ( -10.502 -2.587 -9.164) 14.176 16.318 ( -0.595 12.660 7.278) 14.615 16.478 ( -1.787 2.420 -5.438) 6.215 16.876 ( 6.924 7.017 6.201) 11.646 17.104 ( 0.084 5.430 -4.572) 7.099 17.403 ( -0.874 -12.304 10.360) 16.108 17.593 ( -0.011 -10.933 -3.897) 11.607 18.136 ( 0.082 0.437 3.691) 3.718 18.239 ( -1.956 -6.187 -4.355) 7.815 18.335 ( 5.081 -0.583 22.119) 22.703 18.663 ( 3.146 -0.049 -4.871) 5.799 19.081 ( 10.165 2.192 6.494) 12.259 19.147 ( 8.211 4.623 8.210) 12.498 19.395 ( -2.697 3.520 -7.524) 8.734 19.487 ( -0.983 7.341 -12.315) 14.371 19.796 ( 0.283 -2.741 6.888) 7.418 20.010 ( -3.653 -6.054 -7.985) 10.666 21.627 ( 0.557 0.551 -0.439) 0.898 21.636 ( -0.738 0.016 0.170) 0.758 21.826 ( 1.876 -0.162 3.039) 3.575 21.973 ( -4.730 -0.498 -4.057) 6.252 27.736 ( 0.278 0.017 0.454) 0.533 27.757 ( -0.524 -1.485 -0.290) 1.602 27.895 ( 0.427 -0.361 0.138) 0.576 27.930 ( -1.279 0.373 -1.094) 1.724 35.479 ( 2.682 -3.711 1.175) 4.727 35.638 ( -7.991 -2.276 -3.418) 8.984 37.336 ( 6.697 3.298 8.424) 11.256 37.466 ( -1.052 4.263 9.702) 10.649 38.869 ( 6.363 0.655 7.465) 9.831 39.112 ( 0.321 1.304 -0.670) 1.501 39.553 ( 6.663 -3.974 -9.286) 12.101 39.698 ( -7.440 -6.245 -10.065) 13.988 ======================= Grid point 292 (149/150) ======================= q-point: (-0.38 -0.62 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -3.767 -0.074 -7.482) 8.377 0.871 ( 3.767 -0.074 7.482) 8.377 1.322 ( 0.621 -3.997 -4.955) 6.397 1.322 ( -0.621 -3.997 4.955) 6.397 1.897 ( -2.593 -0.870 -3.014) 4.070 1.897 ( 2.593 -0.870 3.014) 4.070 2.228 ( -11.308 -4.417 -9.848) 15.632 2.228 ( 11.308 -4.417 9.848) 15.632 3.001 ( -13.442 4.841 -6.128) 15.546 3.001 ( 13.442 4.841 6.128) 15.546 3.986 ( -3.258 0.344 -8.590) 9.194 3.986 ( 3.258 0.344 8.590) 9.194 4.789 ( -22.406 -4.362 -0.190) 22.827 4.789 ( 22.406 -4.362 0.190) 22.827 5.214 ( -11.257 6.105 -20.688) 24.330 5.214 ( 11.257 6.105 20.688) 24.330 5.655 ( -14.852 -3.637 -11.374) 19.057 5.655 ( 14.852 -3.637 11.374) 19.057 6.038 ( -10.608 15.771 -9.298) 21.159 6.038 ( 10.608 15.771 9.298) 21.159 6.414 ( -10.746 2.560 -16.621) 19.957 6.414 ( 10.746 2.560 16.621) 19.957 7.208 ( -7.710 -20.170 -9.104) 23.434 7.208 ( 7.710 -20.170 9.104) 23.434 7.381 ( -7.219 -1.848 -10.385) 12.782 7.381 ( 7.219 -1.848 10.385) 12.782 8.052 ( -5.028 -5.232 -5.894) 9.348 8.052 ( 5.028 -5.232 5.894) 9.348 8.690 ( 7.264 2.454 -7.786) 10.927 8.690 ( -7.264 2.454 7.786) 10.927 9.106 ( -9.759 6.072 -18.970) 22.181 9.106 ( 9.759 6.072 18.970) 22.181 10.343 ( -5.481 2.561 -4.075) 7.294 10.343 ( 5.481 2.561 4.075) 7.294 11.056 ( -0.226 2.462 -6.063) 6.548 11.056 ( 0.226 2.462 6.063) 6.548 11.228 ( -2.329 3.431 -8.412) 9.379 11.228 ( 2.329 3.431 8.412) 9.379 12.005 ( -2.311 -0.687 -3.926) 4.607 12.005 ( 2.311 -0.687 3.926) 4.607 12.509 ( -2.585 5.188 -5.037) 7.679 12.509 ( 2.585 5.188 5.037) 7.679 12.947 ( -1.871 7.333 -5.244) 9.207 12.947 ( 1.871 7.333 5.244) 9.207 13.691 ( -1.939 -10.497 -8.396) 13.581 13.691 ( 1.939 -10.497 8.396) 13.581 14.204 ( -5.358 -2.124 -3.426) 6.705 14.204 ( 5.358 -2.124 3.426) 6.705 14.998 ( -8.795 -4.722 -12.443) 15.953 14.998 ( 8.795 -4.722 12.443) 15.953 15.411 ( -9.778 -1.757 -4.803) 11.035 15.411 ( 9.778 -1.757 4.803) 11.035 16.246 ( -0.873 14.134 -12.979) 19.209 16.246 ( 0.873 14.134 12.979) 19.209 16.940 ( -5.230 1.454 -4.698) 7.179 16.940 ( 5.230 1.454 4.698) 7.179 17.688 ( -0.284 -9.984 -5.267) 11.291 17.688 ( 0.284 -9.984 5.267) 11.291 18.241 ( -0.823 -5.880 -9.722) 11.392 18.241 ( 0.823 -5.880 9.722) 11.392 18.538 ( -2.565 3.014 -14.758) 15.279 18.538 ( 2.565 3.014 14.758) 15.279 19.215 ( -4.412 7.001 -4.492) 9.415 19.215 ( 4.412 7.001 4.492) 9.415 19.232 ( -5.333 3.327 -5.602) 8.420 19.232 ( 5.333 3.327 5.602) 8.420 19.963 ( -4.761 -5.359 -8.350) 11.005 19.963 ( 4.761 -5.359 8.350) 11.005 21.626 ( 0.324 0.308 -0.696) 0.827 21.626 ( -0.324 0.308 0.696) 0.827 21.896 ( -3.529 -0.540 -4.036) 5.388 21.896 ( 3.529 -0.540 4.036) 5.388 27.758 ( -0.930 -1.082 -1.132) 1.821 27.758 ( 0.930 -1.082 1.132) 1.821 27.907 ( -0.710 0.082 -0.608) 0.938 27.907 ( 0.710 0.082 0.608) 0.938 35.596 ( -4.800 -5.361 -1.388) 7.328 35.596 ( 4.800 -5.361 1.388) 7.328 37.377 ( 1.392 7.624 -4.163) 8.797 37.377 ( -1.392 7.624 4.163) 8.797 38.985 ( -3.958 4.401 -9.177) 10.920 38.985 ( 3.958 4.401 9.177) 10.920 39.701 ( -0.431 -12.075 -5.609) 13.321 39.701 ( 0.431 -12.075 5.609) 13.321 ======================= Grid point 301 (150/150) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -1.919 -0.000 -7.579) 7.818 0.873 ( 1.919 0.000 7.579) 7.818 1.256 ( -2.684 -0.000 -4.735) 5.443 1.256 ( 2.684 0.000 4.735) 5.443 1.879 ( -1.913 -0.000 -3.658) 4.129 1.879 ( 1.913 0.000 3.658) 4.129 2.179 ( -11.404 -0.000 -9.135) 14.612 2.179 ( 11.404 0.000 9.135) 14.612 3.083 ( -16.775 -0.000 -6.986) 18.171 3.083 ( 16.775 0.000 6.986) 18.171 3.964 ( 6.011 0.000 -3.728) 7.073 3.964 ( -6.011 -0.000 3.728) 7.073 4.728 ( -24.990 -0.000 -3.529) 25.238 4.728 ( 24.990 0.000 3.529) 25.238 5.393 ( -11.230 -0.000 -31.931) 33.848 5.393 ( 11.230 0.000 31.931) 33.848 5.544 ( 1.211 0.000 -3.166) 3.390 5.544 ( -1.211 -0.000 3.166) 3.390 6.360 ( -18.879 -0.000 -13.455) 23.183 6.360 ( 18.879 0.000 13.455) 23.183 6.414 ( -4.140 -0.000 -0.876) 4.231 6.414 ( 4.140 0.000 0.876) 4.231 6.831 ( 13.156 0.000 -6.041) 14.477 6.831 ( -13.156 -0.000 6.041) 14.477 7.360 ( -7.573 -0.000 -16.760) 18.392 7.360 ( 7.573 0.000 16.760) 18.392 7.975 ( 2.335 0.000 -9.399) 9.684 7.975 ( -2.335 -0.000 9.399) 9.684 8.724 ( 15.343 0.000 -8.170) 17.383 8.724 ( -15.343 -0.000 8.170) 17.383 9.183 ( -9.812 -0.000 -18.253) 20.723 9.183 ( 9.812 0.000 18.253) 20.723 10.380 ( -5.425 -0.000 -2.825) 6.116 10.380 ( 5.425 0.000 2.825) 6.116 11.087 ( 4.770 0.000 -3.057) 5.666 11.087 ( -4.770 -0.000 3.057) 5.666 11.298 ( -3.171 -0.000 -9.001) 9.544 11.298 ( 3.171 0.000 9.001) 9.544 11.999 ( -1.417 -0.000 -2.410) 2.796 11.999 ( 1.417 0.000 2.410) 2.796 12.591 ( 3.535 0.000 -1.442) 3.818 12.591 ( -3.535 -0.000 1.442) 3.818 13.178 ( 0.264 0.000 -12.816) 12.819 13.178 ( -0.264 -0.000 12.816) 12.819 13.384 ( -1.544 -0.000 -4.466) 4.725 13.384 ( 1.544 0.000 4.466) 4.725 14.187 ( -3.012 -0.000 -1.285) 3.274 14.187 ( 3.012 0.000 1.285) 3.274 14.926 ( -1.413 -0.000 -3.475) 3.751 14.926 ( 1.413 0.000 3.475) 3.751 15.401 ( -3.562 -0.000 -8.116) 8.863 15.401 ( 3.562 0.000 8.116) 8.863 16.446 ( 3.632 0.000 -6.921) 7.816 16.446 ( -3.632 -0.000 6.921) 7.816 17.118 ( -0.517 -0.000 -2.865) 2.911 17.118 ( 0.517 0.000 2.865) 2.911 17.369 ( 1.018 0.000 -4.180) 4.302 17.369 ( -1.018 -0.000 4.180) 4.302 18.155 ( -2.021 -0.000 -1.082) 2.293 18.155 ( 2.021 0.000 1.082) 2.293 18.582 ( 0.013 0.000 -17.117) 17.117 18.582 ( -0.013 -0.000 17.117) 17.117 19.245 ( -5.123 -0.000 -4.203) 6.627 19.245 ( 5.123 0.000 4.203) 6.627 19.399 ( -3.505 -0.000 -8.263) 8.976 19.399 ( 3.505 0.000 8.263) 8.976 19.855 ( -1.750 -0.000 -8.216) 8.401 19.855 ( 1.750 0.000 8.216) 8.401 21.633 ( 1.242 0.000 -1.099) 1.658 21.633 ( -1.242 -0.000 1.099) 1.658 21.886 ( -3.253 -0.000 -4.009) 5.163 21.886 ( 3.253 0.000 4.009) 5.163 27.742 ( 0.475 0.000 -0.652) 0.807 27.742 ( -0.475 -0.000 0.652) 0.807 27.907 ( -1.281 -0.000 -0.797) 1.508 27.907 ( 1.281 0.000 0.797) 1.508 35.517 ( -5.534 -0.000 -2.504) 6.074 35.517 ( 5.534 0.000 2.504) 6.074 37.490 ( -4.934 -0.000 -3.302) 5.937 37.490 ( 4.934 0.000 3.302) 5.937 39.048 ( -4.239 -0.000 -11.597) 12.347 39.048 ( 4.239 0.000 11.597) 12.347 39.525 ( 8.221 0.000 -4.311) 9.283 39.525 ( -8.221 -0.000 4.311) 9.283 =================== 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 3/43008 10.0 6.429 3.860 8.064 -0.000 4.280 0.000 3/43008 20.0 2.676 2.079 3.233 -0.000 1.292 -0.000 3/43008 30.0 2.135 1.585 2.432 -0.000 0.891 -0.000 3/43008 40.0 2.050 1.378 2.226 -0.000 0.886 0.000 3/43008 50.0 2.043 1.284 2.172 -0.000 0.939 0.000 3/43008 60.0 2.028 1.231 2.146 -0.000 0.976 0.000 3/43008 70.0 1.991 1.190 2.110 -0.000 0.988 0.000 3/43008 80.0 1.934 1.149 2.058 -0.000 0.979 0.000 3/43008 90.0 1.863 1.105 1.991 -0.000 0.956 0.000 3/43008 100.0 1.785 1.060 1.916 -0.000 0.923 0.000 3/43008 110.0 1.702 1.013 1.835 -0.000 0.885 0.000 3/43008 120.0 1.620 0.967 1.753 -0.000 0.845 0.000 3/43008 130.0 1.540 0.923 1.672 -0.000 0.806 0.000 3/43008 140.0 1.464 0.880 1.595 -0.000 0.767 0.000 3/43008 150.0 1.393 0.841 1.521 -0.000 0.731 0.000 3/43008 160.0 1.326 0.803 1.452 -0.000 0.696 0.000 3/43008 170.0 1.265 0.769 1.388 -0.000 0.664 0.000 3/43008 180.0 1.207 0.737 1.328 -0.000 0.634 0.000 3/43008 190.0 1.154 0.708 1.272 -0.000 0.606 0.000 3/43008 200.0 1.105 0.680 1.221 -0.000 0.580 0.000 3/43008 210.0 1.060 0.655 1.173 -0.000 0.556 0.000 3/43008 220.0 1.018 0.631 1.129 -0.000 0.534 0.000 3/43008 230.0 0.979 0.610 1.087 -0.000 0.514 0.000 3/43008 240.0 0.943 0.589 1.049 -0.000 0.494 0.000 3/43008 250.0 0.909 0.570 1.013 -0.000 0.477 0.000 3/43008 260.0 0.878 0.552 0.980 -0.000 0.460 0.000 3/43008 270.0 0.848 0.536 0.949 -0.000 0.444 0.000 3/43008 280.0 0.821 0.520 0.920 -0.000 0.430 0.000 3/43008 290.0 0.795 0.505 0.893 -0.000 0.416 0.000 3/43008 300.0 0.771 0.492 0.867 -0.000 0.403 0.000 3/43008 310.0 0.748 0.479 0.843 -0.000 0.391 0.000 3/43008 320.0 0.727 0.466 0.820 -0.000 0.379 0.000 3/43008 330.0 0.707 0.455 0.799 -0.000 0.369 0.000 3/43008 340.0 0.688 0.444 0.779 -0.000 0.358 0.000 3/43008 350.0 0.670 0.433 0.760 -0.000 0.349 0.000 3/43008 360.0 0.653 0.423 0.742 -0.000 0.340 0.000 3/43008 370.0 0.637 0.414 0.725 -0.000 0.331 0.000 3/43008 380.0 0.621 0.405 0.709 -0.000 0.323 0.000 3/43008 390.0 0.607 0.396 0.693 -0.000 0.315 0.000 3/43008 400.0 0.593 0.388 0.678 -0.000 0.307 0.000 3/43008 410.0 0.580 0.381 0.664 -0.000 0.300 0.000 3/43008 420.0 0.567 0.373 0.651 -0.000 0.293 0.000 3/43008 430.0 0.555 0.366 0.638 -0.000 0.287 0.000 3/43008 440.0 0.544 0.359 0.626 -0.000 0.280 0.000 3/43008 450.0 0.532 0.353 0.614 -0.000 0.274 0.000 3/43008 460.0 0.522 0.346 0.603 -0.000 0.268 0.000 3/43008 470.0 0.512 0.340 0.592 -0.000 0.263 0.000 3/43008 480.0 0.502 0.334 0.582 -0.000 0.258 0.000 3/43008 490.0 0.493 0.329 0.572 -0.000 0.253 0.000 3/43008 500.0 0.484 0.323 0.562 -0.000 0.248 0.000 3/43008 510.0 0.475 0.318 0.553 -0.000 0.243 0.000 3/43008 520.0 0.467 0.313 0.544 -0.000 0.238 0.000 3/43008 530.0 0.459 0.308 0.536 -0.000 0.234 0.000 3/43008 540.0 0.451 0.303 0.528 -0.000 0.230 0.000 3/43008 550.0 0.443 0.299 0.520 -0.000 0.226 0.000 3/43008 560.0 0.436 0.295 0.512 -0.000 0.222 0.000 3/43008 570.0 0.429 0.290 0.504 -0.000 0.218 0.000 3/43008 580.0 0.422 0.286 0.497 -0.000 0.214 0.000 3/43008 590.0 0.416 0.282 0.490 -0.000 0.211 0.000 3/43008 600.0 0.409 0.278 0.483 -0.000 0.207 0.000 3/43008 610.0 0.403 0.274 0.477 -0.000 0.204 0.000 3/43008 620.0 0.397 0.271 0.470 -0.000 0.201 0.000 3/43008 630.0 0.392 0.267 0.464 -0.000 0.197 0.000 3/43008 640.0 0.386 0.264 0.458 -0.000 0.194 0.000 3/43008 650.0 0.380 0.260 0.452 -0.000 0.191 0.000 3/43008 660.0 0.375 0.257 0.446 -0.000 0.189 0.000 3/43008 670.0 0.370 0.254 0.441 -0.000 0.186 0.000 3/43008 680.0 0.365 0.251 0.435 -0.000 0.183 0.000 3/43008 690.0 0.360 0.248 0.430 -0.000 0.180 0.000 3/43008 700.0 0.355 0.245 0.425 -0.000 0.178 0.000 3/43008 710.0 0.351 0.242 0.420 -0.000 0.175 0.000 3/43008 720.0 0.346 0.239 0.415 -0.000 0.173 0.000 3/43008 730.0 0.342 0.236 0.410 -0.000 0.171 0.000 3/43008 740.0 0.338 0.234 0.406 -0.000 0.168 0.000 3/43008 750.0 0.334 0.231 0.401 -0.000 0.166 0.000 3/43008 760.0 0.330 0.228 0.397 -0.000 0.164 0.000 3/43008 770.0 0.326 0.226 0.392 -0.000 0.162 0.000 3/43008 780.0 0.322 0.223 0.388 -0.000 0.160 0.000 3/43008 790.0 0.318 0.221 0.384 -0.000 0.158 0.000 3/43008 800.0 0.314 0.219 0.380 -0.000 0.156 0.000 3/43008 810.0 0.311 0.216 0.376 -0.000 0.154 0.000 3/43008 820.0 0.307 0.214 0.372 -0.000 0.152 0.000 3/43008 830.0 0.304 0.212 0.368 -0.000 0.150 0.000 3/43008 840.0 0.301 0.210 0.364 -0.000 0.148 0.000 3/43008 850.0 0.297 0.208 0.361 -0.000 0.147 0.000 3/43008 860.0 0.294 0.206 0.357 -0.000 0.145 0.000 3/43008 870.0 0.291 0.204 0.354 -0.000 0.143 0.000 3/43008 880.0 0.288 0.202 0.350 -0.000 0.142 0.000 3/43008 890.0 0.285 0.200 0.347 -0.000 0.140 0.000 3/43008 900.0 0.282 0.198 0.344 -0.000 0.139 0.000 3/43008 910.0 0.279 0.196 0.340 -0.000 0.137 0.000 3/43008 920.0 0.276 0.194 0.337 -0.000 0.136 0.000 3/43008 930.0 0.274 0.192 0.334 -0.000 0.134 0.000 3/43008 940.0 0.271 0.191 0.331 -0.000 0.133 0.000 3/43008 950.0 0.268 0.189 0.328 -0.000 0.131 0.000 3/43008 960.0 0.266 0.187 0.325 -0.000 0.130 0.000 3/43008 970.0 0.263 0.185 0.322 -0.000 0.129 0.000 3/43008 980.0 0.261 0.184 0.320 -0.000 0.127 0.000 3/43008 990.0 0.258 0.182 0.317 -0.000 0.126 0.000 3/43008 1000.0 0.256 0.181 0.314 -0.000 0.125 0.000 3/43008 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:52:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|