----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:33:19]------------------------- 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 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.245889720052912 0.000000000000000 0.000000000000000 b 0.000000000000000 4.496146679999999 0.000000000000000 c -4.839951138814127 0.000000000000000 10.682072695901779 Atomic positions (fractional): *1 Sr 0.27130527787010 0.47543817379425 0.34382471756598 87.620 2 Sr 0.27130527787010 0.02456182620575 0.84382471756598 87.620 3 Sr 0.72869472212990 0.52456182620575 0.65617528243402 87.620 4 Sr 0.72869472212990 0.97543817379425 0.15617528243402 87.620 *5 Be 0.59056506988395 0.43610028024860 0.30731830285723 9.012 6 Be 0.40943493011605 0.56389971975140 0.69268169714276 9.012 *7 Be 0.92163752708469 0.40387886180741 0.04805987231637 9.012 8 Be 0.07836247291531 0.90387886180741 0.45194012768363 9.012 9 Be 0.59056506988395 0.06389971975140 0.80731830285724 9.012 10 Be 0.07836247291531 0.59612113819259 0.95194012768363 9.012 11 Be 0.40943493011605 0.93610028024860 0.19268169714277 9.012 12 Be 0.92163752708469 0.09612113819259 0.54805987231637 9.012 *13 B 0.09569192971234 0.56236597542666 0.64518561479717 10.811 *14 B 0.63038636556520 0.90433121570277 0.42523680423234 10.811 15 B 0.36961363443480 0.09566878429723 0.57476319576766 10.811 16 B 0.90430807028766 0.43763402457334 0.35481438520283 10.811 17 B 0.09569192971234 0.93763402457334 0.14518561479717 10.811 18 B 0.63038636556520 0.59566878429723 0.92523680423234 10.811 19 B 0.36961363443480 0.40433121570277 0.07476319576766 10.811 20 B 0.90430807028766 0.06236597542666 0.85481438520283 10.811 *21 O 0.25218786886581 0.01212452979572 0.21193089313269 15.999 *22 O 0.43917472358012 0.92221614398305 0.68256093907283 15.999 23 O 0.74781213113419 0.98787547020428 0.78806910686731 15.999 24 O 0.25218786886581 0.48787547020428 0.71193089313269 15.999 25 O 0.43917472358012 0.57778385601695 0.18256093907283 15.999 *26 O 0.06237479502378 0.65886388806208 0.08846919030026 15.999 *27 O 0.97690723421417 0.12486226123610 0.14060364817764 15.999 28 O 0.02309276578583 0.87513773876390 0.85939635182236 15.999 *29 O 0.42392967753611 0.11675779826654 0.07822299570991 15.999 30 O 0.97690723421417 0.37513773876390 0.64060364817764 15.999 *31 O 0.74741020950771 0.49189731471967 0.03329542774362 15.999 32 O 0.93762520497622 0.15886388806208 0.41153080969973 15.999 33 O 0.93762520497622 0.34113611193792 0.91153080969973 15.999 34 O 0.25258979049229 0.50810268528033 0.96670457225638 15.999 35 O 0.74741020950771 0.00810268528033 0.53329542774362 15.999 36 O 0.56082527641988 0.07778385601695 0.31743906092717 15.999 37 O 0.74781213113419 0.51212452979572 0.28806910686731 15.999 38 O 0.57607032246389 0.88324220173346 0.92177700429009 15.999 39 O 0.56082527641988 0.42221614398305 0.81743906092717 15.999 40 O 0.02309276578583 0.62486226123610 0.35939635182236 15.999 41 O 0.25258979049229 0.99189731471967 0.46670457225638 15.999 42 O 0.42392967753611 0.38324220173346 0.57822299570991 15.999 43 O 0.06237479502378 0.84113611193792 0.58846919030027 15.999 44 O 0.57607032246389 0.61675779826654 0.42177700429009 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.245889720052912 0.000000000000000 0.000000000000000 b 0.000000000000000 4.496146679999999 0.000000000000000 c -4.839951138814127 0.000000000000000 10.682072695901779 Atomic positions (fractional): *1 Sr 0.27130527787010 0.47543817379425 0.34382471756598 87.620 > 1 2 Sr 0.27130527787010 0.02456182620576 0.84382471756598 87.620 > 2 3 Sr 0.72869472212990 0.52456182620575 0.65617528243402 87.620 > 3 4 Sr 0.72869472212990 0.97543817379425 0.15617528243402 87.620 > 4 *5 Be 0.59056506988395 0.43610028024860 0.30731830285723 9.012 > 5 6 Be 0.40943493011605 0.56389971975140 0.69268169714276 9.012 > 6 *7 Be 0.92163752708469 0.40387886180741 0.04805987231637 9.012 > 7 8 Be 0.07836247291531 0.90387886180741 0.45194012768363 9.012 > 8 9 Be 0.59056506988395 0.06389971975140 0.80731830285724 9.012 > 9 10 Be 0.07836247291531 0.59612113819259 0.95194012768363 9.012 > 10 11 Be 0.40943493011605 0.93610028024860 0.19268169714277 9.012 > 11 12 Be 0.92163752708469 0.09612113819259 0.54805987231637 9.012 > 12 *13 B 0.09569192971234 0.56236597542666 0.64518561479717 10.811 > 13 *14 B 0.63038636556520 0.90433121570277 0.42523680423234 10.811 > 14 15 B 0.36961363443480 0.09566878429723 0.57476319576766 10.811 > 15 16 B 0.90430807028766 0.43763402457334 0.35481438520283 10.811 > 16 17 B 0.09569192971234 0.93763402457334 0.14518561479717 10.811 > 17 18 B 0.63038636556520 0.59566878429723 0.92523680423234 10.811 > 18 19 B 0.36961363443480 0.40433121570278 0.07476319576766 10.811 > 19 20 B 0.90430807028766 0.06236597542666 0.85481438520283 10.811 > 20 *21 O 0.25218786886581 0.01212452979572 0.21193089313269 15.999 > 21 *22 O 0.43917472358012 0.92221614398305 0.68256093907283 15.999 > 22 23 O 0.74781213113419 0.98787547020428 0.78806910686731 15.999 > 23 24 O 0.25218786886581 0.48787547020428 0.71193089313269 15.999 > 24 25 O 0.43917472358012 0.57778385601695 0.18256093907283 15.999 > 25 *26 O 0.06237479502378 0.65886388806208 0.08846919030026 15.999 > 26 *27 O 0.97690723421417 0.12486226123610 0.14060364817764 15.999 > 27 28 O 0.02309276578583 0.87513773876390 0.85939635182236 15.999 > 28 *29 O 0.42392967753611 0.11675779826654 0.07822299570991 15.999 > 29 30 O 0.97690723421417 0.37513773876390 0.64060364817764 15.999 > 30 *31 O 0.74741020950771 0.49189731471967 0.03329542774362 15.999 > 31 32 O 0.93762520497622 0.15886388806208 0.41153080969973 15.999 > 32 33 O 0.93762520497622 0.34113611193792 0.91153080969973 15.999 > 33 34 O 0.25258979049229 0.50810268528033 0.96670457225638 15.999 > 34 35 O 0.74741020950771 0.00810268528033 0.53329542774362 15.999 > 35 36 O 0.56082527641988 0.07778385601695 0.31743906092717 15.999 > 36 37 O 0.74781213113419 0.51212452979572 0.28806910686731 15.999 > 37 38 O 0.57607032246389 0.88324220173346 0.92177700429009 15.999 > 38 39 O 0.56082527641988 0.42221614398305 0.81743906092717 15.999 > 39 40 O 0.02309276578583 0.62486226123610 0.35939635182236 15.999 > 40 41 O 0.25258979049229 0.99189731471967 0.46670457225638 15.999 > 41 42 O 0.42392967753611 0.38324220173346 0.57822299570991 15.999 > 42 43 O 0.06237479502378 0.84113611193792 0.58846919030027 15.999 > 43 44 O 0.57607032246389 0.61675779826654 0.42177700429009 15.999 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.245889720052912 0.000000000000000 0.000000000000000 b 0.000000000000000 13.488440039999997 0.000000000000000 c -4.839951138814127 0.000000000000000 10.682072695901779 Atomic positions (fractional): *1 Sr 0.27130527787010 0.15847939126475 0.34382471756598 87.620 > 1 2 Sr 0.27130527787010 0.49181272459808 0.34382471756598 87.620 > 1 3 Sr 0.27130527787010 0.82514605793142 0.34382471756598 87.620 > 1 4 Sr 0.27130527787010 0.00818727540192 0.84382471756598 87.620 > 2 5 Sr 0.27130527787010 0.34152060873525 0.84382471756598 87.620 > 2 6 Sr 0.27130527787010 0.67485394206859 0.84382471756598 87.620 > 2 7 Sr 0.72869472212990 0.17485394206858 0.65617528243402 87.620 > 3 8 Sr 0.72869472212990 0.50818727540192 0.65617528243402 87.620 > 3 9 Sr 0.72869472212990 0.84152060873525 0.65617528243402 87.620 > 3 10 Sr 0.72869472212990 0.32514605793141 0.15617528243402 87.620 > 4 11 Sr 0.72869472212990 0.65847939126475 0.15617528243402 87.620 > 4 12 Sr 0.72869472212990 0.99181272459808 0.15617528243402 87.620 > 4 *13 Be 0.59056506988395 0.14536676008287 0.30731830285723 9.012 > 5 14 Be 0.59056506988395 0.47870009341620 0.30731830285723 9.012 > 5 15 Be 0.59056506988395 0.81203342674953 0.30731830285723 9.012 > 5 16 Be 0.40943493011605 0.18796657325047 0.69268169714276 9.012 > 6 17 Be 0.40943493011605 0.52129990658380 0.69268169714276 9.012 > 6 18 Be 0.40943493011605 0.85463323991713 0.69268169714276 9.012 > 6 *19 Be 0.92163752708469 0.13462628726914 0.04805987231637 9.012 > 7 20 Be 0.92163752708469 0.46795962060247 0.04805987231637 9.012 > 7 21 Be 0.92163752708469 0.80129295393580 0.04805987231637 9.012 > 7 22 Be 0.07836247291531 0.30129295393580 0.45194012768363 9.012 > 8 23 Be 0.07836247291531 0.63462628726914 0.45194012768363 9.012 > 8 24 Be 0.07836247291531 0.96795962060247 0.45194012768363 9.012 > 8 25 Be 0.59056506988395 0.02129990658380 0.80731830285724 9.012 > 9 26 Be 0.59056506988395 0.35463323991713 0.80731830285724 9.012 > 9 27 Be 0.59056506988395 0.68796657325047 0.80731830285724 9.012 > 9 28 Be 0.07836247291531 0.19870704606420 0.95194012768363 9.012 > 10 29 Be 0.07836247291531 0.53204037939753 0.95194012768363 9.012 > 10 30 Be 0.07836247291531 0.86537371273086 0.95194012768363 9.012 > 10 31 Be 0.40943493011605 0.31203342674953 0.19268169714277 9.012 > 11 32 Be 0.40943493011605 0.64536676008287 0.19268169714277 9.012 > 11 33 Be 0.40943493011605 0.97870009341620 0.19268169714277 9.012 > 11 34 Be 0.92163752708469 0.03204037939753 0.54805987231637 9.012 > 12 35 Be 0.92163752708469 0.36537371273086 0.54805987231637 9.012 > 12 36 Be 0.92163752708469 0.69870704606420 0.54805987231637 9.012 > 12 *37 B 0.09569192971234 0.18745532514222 0.64518561479717 10.811 > 13 38 B 0.09569192971234 0.52078865847555 0.64518561479717 10.811 > 13 39 B 0.09569192971234 0.85412199180889 0.64518561479717 10.811 > 13 *40 B 0.63038636556520 0.30144373856759 0.42523680423234 10.811 > 14 41 B 0.63038636556520 0.63477707190092 0.42523680423234 10.811 > 14 42 B 0.63038636556520 0.96811040523426 0.42523680423234 10.811 > 14 43 B 0.36961363443480 0.03188959476574 0.57476319576766 10.811 > 15 44 B 0.36961363443480 0.36522292809907 0.57476319576766 10.811 > 15 45 B 0.36961363443480 0.69855626143241 0.57476319576766 10.811 > 15 46 B 0.90430807028766 0.14587800819111 0.35481438520283 10.811 > 16 47 B 0.90430807028766 0.47921134152445 0.35481438520283 10.811 > 16 48 B 0.90430807028766 0.81254467485778 0.35481438520283 10.811 > 16 49 B 0.09569192971234 0.31254467485778 0.14518561479717 10.811 > 17 50 B 0.09569192971234 0.64587800819111 0.14518561479717 10.811 > 17 51 B 0.09569192971234 0.97921134152445 0.14518561479717 10.811 > 17 52 B 0.63038636556520 0.19855626143241 0.92523680423234 10.811 > 18 53 B 0.63038636556520 0.53188959476574 0.92523680423234 10.811 > 18 54 B 0.63038636556520 0.86522292809908 0.92523680423234 10.811 > 18 55 B 0.36961363443480 0.13477707190092 0.07476319576766 10.811 > 19 56 B 0.36961363443480 0.46811040523426 0.07476319576766 10.811 > 19 57 B 0.36961363443480 0.80144373856759 0.07476319576766 10.811 > 19 58 B 0.90430807028766 0.02078865847555 0.85481438520283 10.811 > 20 59 B 0.90430807028766 0.35412199180889 0.85481438520283 10.811 > 20 60 B 0.90430807028766 0.68745532514222 0.85481438520283 10.811 > 20 *61 O 0.25218786886581 0.00404150993191 0.21193089313269 15.999 > 21 62 O 0.25218786886581 0.33737484326524 0.21193089313269 15.999 > 21 63 O 0.25218786886581 0.67070817659857 0.21193089313269 15.999 > 21 *64 O 0.43917472358012 0.30740538132768 0.68256093907283 15.999 > 22 65 O 0.43917472358012 0.64073871466102 0.68256093907283 15.999 > 22 66 O 0.43917472358012 0.97407204799435 0.68256093907283 15.999 > 22 67 O 0.74781213113419 0.32929182340143 0.78806910686731 15.999 > 23 68 O 0.74781213113419 0.66262515673476 0.78806910686731 15.999 > 23 69 O 0.74781213113419 0.99595849006809 0.78806910686731 15.999 > 23 70 O 0.25218786886581 0.16262515673476 0.71193089313269 15.999 > 24 71 O 0.25218786886581 0.49595849006809 0.71193089313269 15.999 > 24 72 O 0.25218786886581 0.82929182340143 0.71193089313269 15.999 > 24 73 O 0.43917472358012 0.19259461867232 0.18256093907283 15.999 > 25 74 O 0.43917472358012 0.52592795200565 0.18256093907283 15.999 > 25 75 O 0.43917472358012 0.85926128533898 0.18256093907283 15.999 > 25 *76 O 0.06237479502378 0.21962129602069 0.08846919030026 15.999 > 26 77 O 0.06237479502378 0.55295462935403 0.08846919030026 15.999 > 26 78 O 0.06237479502378 0.88628796268736 0.08846919030026 15.999 > 26 *79 O 0.97690723421417 0.04162075374537 0.14060364817764 15.999 > 27 80 O 0.97690723421417 0.37495408707870 0.14060364817764 15.999 > 27 81 O 0.97690723421417 0.70828742041203 0.14060364817764 15.999 > 27 82 O 0.02309276578583 0.29171257958797 0.85939635182236 15.999 > 28 83 O 0.02309276578583 0.62504591292130 0.85939635182236 15.999 > 28 84 O 0.02309276578583 0.95837924625463 0.85939635182236 15.999 > 28 *85 O 0.42392967753611 0.03891926608885 0.07822299570991 15.999 > 29 86 O 0.42392967753611 0.37225259942218 0.07822299570991 15.999 > 29 87 O 0.42392967753611 0.70558593275551 0.07822299570991 15.999 > 29 88 O 0.97690723421417 0.12504591292130 0.64060364817764 15.999 > 30 89 O 0.97690723421417 0.45837924625463 0.64060364817764 15.999 > 30 90 O 0.97690723421417 0.79171257958797 0.64060364817764 15.999 > 30 *91 O 0.74741020950771 0.16396577157322 0.03329542774362 15.999 > 31 92 O 0.74741020950771 0.49729910490656 0.03329542774362 15.999 > 31 93 O 0.74741020950771 0.83063243823989 0.03329542774362 15.999 > 31 94 O 0.93762520497622 0.05295462935403 0.41153080969973 15.999 > 32 95 O 0.93762520497622 0.38628796268736 0.41153080969973 15.999 > 32 96 O 0.93762520497622 0.71962129602069 0.41153080969973 15.999 > 32 97 O 0.93762520497622 0.11371203731264 0.91153080969973 15.999 > 33 98 O 0.93762520497622 0.44704537064597 0.91153080969973 15.999 > 33 99 O 0.93762520497622 0.78037870397931 0.91153080969973 15.999 > 33 100 O 0.25258979049229 0.16936756176011 0.96670457225638 15.999 > 34 101 O 0.25258979049229 0.50270089509344 0.96670457225638 15.999 > 34 102 O 0.25258979049229 0.83603422842678 0.96670457225638 15.999 > 34 103 O 0.74741020950771 0.00270089509344 0.53329542774362 15.999 > 35 104 O 0.74741020950771 0.33603422842678 0.53329542774362 15.999 > 35 105 O 0.74741020950771 0.66936756176011 0.53329542774362 15.999 > 35 106 O 0.56082527641988 0.02592795200565 0.31743906092717 15.999 > 36 107 O 0.56082527641988 0.35926128533898 0.31743906092717 15.999 > 36 108 O 0.56082527641988 0.69259461867232 0.31743906092717 15.999 > 36 109 O 0.74781213113419 0.17070817659857 0.28806910686731 15.999 > 37 110 O 0.74781213113419 0.50404150993191 0.28806910686731 15.999 > 37 111 O 0.74781213113419 0.83737484326524 0.28806910686731 15.999 > 37 112 O 0.57607032246389 0.29441406724449 0.92177700429009 15.999 > 38 113 O 0.57607032246389 0.62774740057782 0.92177700429009 15.999 > 38 114 O 0.57607032246389 0.96108073391115 0.92177700429009 15.999 > 38 115 O 0.56082527641988 0.14073871466102 0.81743906092717 15.999 > 39 116 O 0.56082527641988 0.47407204799435 0.81743906092717 15.999 > 39 117 O 0.56082527641988 0.80740538132768 0.81743906092717 15.999 > 39 118 O 0.02309276578583 0.20828742041203 0.35939635182236 15.999 > 40 119 O 0.02309276578583 0.54162075374537 0.35939635182236 15.999 > 40 120 O 0.02309276578583 0.87495408707870 0.35939635182236 15.999 > 40 121 O 0.25258979049229 0.33063243823989 0.46670457225638 15.999 > 41 122 O 0.25258979049229 0.66396577157322 0.46670457225638 15.999 > 41 123 O 0.25258979049229 0.99729910490656 0.46670457225638 15.999 > 41 124 O 0.42392967753611 0.12774740057782 0.57822299570991 15.999 > 42 125 O 0.42392967753611 0.46108073391115 0.57822299570991 15.999 > 42 126 O 0.42392967753611 0.79441406724449 0.57822299570991 15.999 > 42 127 O 0.06237479502378 0.28037870397931 0.58846919030027 15.999 > 43 128 O 0.06237479502378 0.61371203731264 0.58846919030027 15.999 > 43 129 O 0.06237479502378 0.94704537064597 0.58846919030027 15.999 > 43 130 O 0.57607032246389 0.20558593275551 0.42177700429009 15.999 > 44 131 O 0.57607032246389 0.53891926608885 0.42177700429009 15.999 > 44 132 O 0.57607032246389 0.87225259942218 0.42177700429009 15.999 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8830224 0.0000000 0.0892461 0.0000000 2.9721451 0.0000000 0.0892457 0.0000000 2.9184680 -------------------------- Born effective charges -------------------------- 1 Sr 2.5363881 -0.0100822 -0.0668410 0.0044295 2.4541051 0.0216226 -0.1301354 -0.0096348 2.6313408 2 Sr 2.5363881 0.0100822 -0.0668410 -0.0044295 2.4541051 -0.0216226 -0.1301354 0.0096348 2.6313408 3 Sr 2.5363881 -0.0100822 -0.0668410 0.0044295 2.4541051 0.0216226 -0.1301354 -0.0096348 2.6313408 4 Sr 2.5363881 0.0100822 -0.0668410 -0.0044295 2.4541051 -0.0216226 -0.1301354 0.0096348 2.6313408 5 Be 1.9149927 -0.0013399 0.0876480 -0.0613052 1.9075957 0.1849205 0.0874970 -0.0247076 1.7439037 6 Be 1.9149927 -0.0013399 0.0876480 -0.0613052 1.9075957 0.1849205 0.0874970 -0.0247076 1.7439037 7 Be 1.9385725 -0.0575881 0.0120818 -0.0107743 1.9171583 -0.0647946 0.0938184 -0.1151071 1.7745654 8 Be 1.9385725 0.0575881 0.0120818 0.0107743 1.9171583 0.0647946 0.0938184 0.1151071 1.7745654 9 Be 1.9149927 0.0013399 0.0876480 0.0613052 1.9075957 -0.1849205 0.0874970 0.0247076 1.7439037 10 Be 1.9385725 -0.0575881 0.0120818 -0.0107743 1.9171583 -0.0647946 0.0938184 -0.1151071 1.7745654 11 Be 1.9149927 0.0013399 0.0876480 0.0613052 1.9075957 -0.1849205 0.0874970 0.0247076 1.7439037 12 Be 1.9385725 0.0575881 0.0120818 0.0107743 1.9171583 0.0647946 0.0938184 0.1151071 1.7745654 13 B 2.4278176 0.3926578 0.6446348 0.3979037 2.3943057 -0.6155886 0.6747848 -0.6416189 1.4174801 14 B 1.1426918 0.5582512 0.6090017 0.5392350 2.4694690 -0.1196674 0.5735478 -0.1477343 2.5341948 15 B 1.1426918 0.5582512 0.6090017 0.5392350 2.4694690 -0.1196674 0.5735478 -0.1477343 2.5341948 16 B 2.4278176 0.3926578 0.6446348 0.3979037 2.3943057 -0.6155886 0.6747848 -0.6416189 1.4174801 17 B 2.4278176 -0.3926578 0.6446348 -0.3979037 2.3943057 0.6155886 0.6747848 0.6416189 1.4174801 18 B 1.1426918 -0.5582512 0.6090017 -0.5392350 2.4694690 0.1196674 0.5735478 0.1477343 2.5341948 19 B 1.1426918 -0.5582512 0.6090017 -0.5392350 2.4694690 0.1196674 0.5735478 0.1477343 2.5341948 20 B 2.4278176 -0.3926578 0.6446348 -0.3979037 2.3943057 0.6155886 0.6747848 0.6416189 1.4174801 21 O -2.3068802 -0.0273198 -0.4130794 -0.0919071 -1.5094034 -0.1948722 -0.4494946 -0.2426986 -1.4222468 22 O -1.1822935 -0.1235342 -0.3118650 -0.1292367 -1.9025132 0.4468654 -0.2265570 0.3843896 -2.0676390 23 O -2.3068802 -0.0273198 -0.4130794 -0.0919071 -1.5094034 -0.1948722 -0.4494946 -0.2426986 -1.4222468 24 O -2.3068802 0.0273198 -0.4130794 0.0919071 -1.5094034 0.1948722 -0.4494946 0.2426986 -1.4222468 25 O -1.1822935 0.1235342 -0.3118650 0.1292367 -1.9025132 -0.4468654 -0.2265570 -0.3843896 -2.0676390 26 O -1.3319357 -0.1367950 -0.0354777 -0.1598525 -2.1803792 -0.6155106 -0.0539548 -0.6089776 -1.7062810 27 O -2.0711741 0.4340045 -0.0812023 0.4941794 -1.8737019 0.2185207 -0.1099884 0.2002972 -1.3024159 28 O -2.0711741 0.4340045 -0.0812023 0.4941794 -1.8737019 0.2185207 -0.1099884 0.2002972 -1.3024159 29 O -1.4359212 0.3378241 -0.0403322 0.3062910 -2.0953065 0.2622273 -0.0468545 0.1364244 -1.6689720 30 O -2.0711741 -0.4340045 -0.0812023 -0.4941794 -1.8737019 -0.2185207 -0.1099884 -0.2002972 -1.3024159 31 O -1.6322579 0.4060214 -0.4045686 0.3585999 -1.5813297 0.2790941 -0.4126633 0.3153000 -1.9339300 32 O -1.3319357 0.1367950 -0.0354777 0.1598525 -2.1803792 0.6155106 -0.0539548 0.6089776 -1.7062810 33 O -1.3319357 -0.1367950 -0.0354777 -0.1598525 -2.1803792 -0.6155106 -0.0539548 -0.6089776 -1.7062810 34 O -1.6322579 0.4060214 -0.4045686 0.3585999 -1.5813297 0.2790941 -0.4126633 0.3153000 -1.9339300 35 O -1.6322579 -0.4060214 -0.4045686 -0.3585999 -1.5813297 -0.2790941 -0.4126633 -0.3153000 -1.9339300 36 O -1.1822935 -0.1235342 -0.3118650 -0.1292367 -1.9025132 0.4468654 -0.2265570 0.3843896 -2.0676390 37 O -2.3068802 0.0273198 -0.4130794 0.0919071 -1.5094034 0.1948722 -0.4494946 0.2426986 -1.4222468 38 O -1.4359212 0.3378241 -0.0403322 0.3062910 -2.0953065 0.2622273 -0.0468545 0.1364244 -1.6689720 39 O -1.1822935 0.1235342 -0.3118650 0.1292367 -1.9025132 -0.4468654 -0.2265570 -0.3843896 -2.0676390 40 O -2.0711741 -0.4340045 -0.0812023 -0.4941794 -1.8737019 -0.2185207 -0.1099884 -0.2002972 -1.3024159 41 O -1.6322579 -0.4060214 -0.4045686 -0.3585999 -1.5813297 -0.2790941 -0.4126633 -0.3153000 -1.9339300 42 O -1.4359212 -0.3378241 -0.0403322 -0.3062910 -2.0953065 -0.2622273 -0.0468545 -0.1364244 -1.6689720 43 O -1.3319357 0.1367950 -0.0354777 0.1598525 -2.1803792 0.6155106 -0.0539548 0.6089776 -1.7062810 44 O -1.4359212 -0.3378241 -0.0403322 -0.3062910 -2.0953065 -0.2622273 -0.0468545 -0.1364244 -1.6689720 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 396/396 Permutation basis: 26466/26466 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6666 Number of blocks in projector: 6666 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: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1452 / 1452 (1) 434 eigenvectors found. (1) Complementary block size: 61 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1452 / 1452 (1) 434 eigenvectors found. (1) Complementary block size: 61 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1452 / 1452 (1) 439 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 770 / 770 (1) 259 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 770 / 770 (1) 259 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 770 / 770 (1) 259 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. Tree of FC basis block matrices: - (6666, 6568), data: False |-- (770, 759), data: False |-- (770, 11), data: (770, 22) @ (22, 11) |-- (270, 259), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (770, 759), data: False |-- (770, 11), data: (770, 22) @ (22, 11) |-- (270, 259), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (770, 759), data: False |-- (770, 11), data: (770, 22) @ (22, 11) |-- (270, 259), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (1452, 1431), data: False |-- (1452, 30), data: (1452, 51) @ (51, 30) |-- (452, 439), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True |-- (1452, 1430), data: False |-- (1452, 39), data: (1452, 61) @ (61, 39) |-- (452, 434), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (500, 478), data: False |-- (500, 19), data: (500, 41) @ (41, 19) |-- (250, 231), data: True |-- (250, 228), data: True |-- (1452, 1430), data: False |-- (1452, 39), data: (1452, 61) @ (61, 39) |-- (452, 434), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (500, 478), data: False |-- (500, 19), data: (500, 41) @ (41, 19) |-- (250, 231), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1360 - Time: 2.048 Solver_block: 200 / 1360 - Time: 1.816 Solver_block: 300 / 1360 - Time: 1.817 Solver_block: 400 / 1360 - Time: 1.809 Solver_block: 500 / 1360 - Time: 1.819 Solver_block: 600 / 1360 - Time: 1.828 Solver_block: 700 / 1360 - Time: 1.815 Solver_block: 800 / 1360 - Time: 1.816 Solver_block: 900 / 1360 - Time: 1.816 Solver_block: 1000 / 1360 - Time: 1.818 Solver_block: 1100 / 1360 - Time: 1.819 Solver_block: 1200 / 1360 - Time: 1.819 Solver_block: 1300 / 1360 - Time: 1.818 Solver_block: 1360 / 1360 - Time: 1.228 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 25.796 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 396/396 Permutation basis: 26466/26466 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6666 Number of blocks in projector: 6666 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: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1452 / 1452 (1) 434 eigenvectors found. (1) Complementary block size: 61 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1452 / 1452 (1) 434 eigenvectors found. (1) Complementary block size: 61 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1452 / 1452 (1) 439 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 770 / 770 (1) 259 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 770 / 770 (1) 259 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 770 / 770 (1) 259 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. Tree of FC basis block matrices: - (6666, 6568), data: False |-- (770, 759), data: False |-- (770, 11), data: (770, 22) @ (22, 11) |-- (270, 259), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (770, 759), data: False |-- (770, 11), data: (770, 22) @ (22, 11) |-- (270, 259), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (770, 759), data: False |-- (770, 11), data: (770, 22) @ (22, 11) |-- (270, 259), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (1452, 1431), data: False |-- (1452, 30), data: (1452, 51) @ (51, 30) |-- (452, 439), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True |-- (1452, 1430), data: False |-- (1452, 39), data: (1452, 61) @ (61, 39) |-- (452, 434), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (500, 478), data: False |-- (500, 19), data: (500, 41) @ (41, 19) |-- (250, 231), data: True |-- (250, 228), data: True |-- (1452, 1430), data: False |-- (1452, 39), data: (1452, 61) @ (61, 39) |-- (452, 434), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (500, 478), data: False |-- (500, 19), data: (500, 41) @ (41, 19) |-- (250, 231), data: True |-- (250, 228), 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 14:34:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:34:53]------------------------- 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 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.245889720052912 0.000000000000000 0.000000000000000 b 0.000000000000000 4.496146679999999 0.000000000000000 c -4.839951138814127 0.000000000000000 10.682072695901779 Atomic positions (fractional): 1 Sr 0.27130527787010 0.47543817379425 0.34382471756598 87.620 2 Sr 0.27130527787010 0.02456182620575 0.84382471756598 87.620 3 Sr 0.72869472212990 0.52456182620575 0.65617528243402 87.620 4 Sr 0.72869472212990 0.97543817379425 0.15617528243402 87.620 5 Be 0.59056506988395 0.43610028024860 0.30731830285723 9.012 6 Be 0.40943493011605 0.56389971975140 0.69268169714276 9.012 7 Be 0.92163752708469 0.40387886180741 0.04805987231637 9.012 8 Be 0.07836247291531 0.90387886180741 0.45194012768363 9.012 9 Be 0.59056506988395 0.06389971975140 0.80731830285724 9.012 10 Be 0.07836247291531 0.59612113819259 0.95194012768363 9.012 11 Be 0.40943493011605 0.93610028024860 0.19268169714277 9.012 12 Be 0.92163752708469 0.09612113819259 0.54805987231637 9.012 13 B 0.09569192971234 0.56236597542666 0.64518561479717 10.811 14 B 0.63038636556520 0.90433121570277 0.42523680423234 10.811 15 B 0.36961363443480 0.09566878429723 0.57476319576766 10.811 16 B 0.90430807028766 0.43763402457334 0.35481438520283 10.811 17 B 0.09569192971234 0.93763402457334 0.14518561479717 10.811 18 B 0.63038636556520 0.59566878429723 0.92523680423234 10.811 19 B 0.36961363443480 0.40433121570277 0.07476319576766 10.811 20 B 0.90430807028766 0.06236597542666 0.85481438520283 10.811 21 O 0.25218786886581 0.01212452979572 0.21193089313269 15.999 22 O 0.43917472358012 0.92221614398305 0.68256093907283 15.999 23 O 0.74781213113419 0.98787547020428 0.78806910686731 15.999 24 O 0.25218786886581 0.48787547020428 0.71193089313269 15.999 25 O 0.43917472358012 0.57778385601695 0.18256093907283 15.999 26 O 0.06237479502378 0.65886388806208 0.08846919030026 15.999 27 O 0.97690723421417 0.12486226123610 0.14060364817764 15.999 28 O 0.02309276578583 0.87513773876390 0.85939635182236 15.999 29 O 0.42392967753611 0.11675779826654 0.07822299570991 15.999 30 O 0.97690723421417 0.37513773876390 0.64060364817764 15.999 31 O 0.74741020950771 0.49189731471967 0.03329542774362 15.999 32 O 0.93762520497622 0.15886388806208 0.41153080969973 15.999 33 O 0.93762520497622 0.34113611193792 0.91153080969973 15.999 34 O 0.25258979049229 0.50810268528033 0.96670457225638 15.999 35 O 0.74741020950771 0.00810268528033 0.53329542774362 15.999 36 O 0.56082527641988 0.07778385601695 0.31743906092717 15.999 37 O 0.74781213113419 0.51212452979572 0.28806910686731 15.999 38 O 0.57607032246389 0.88324220173346 0.92177700429009 15.999 39 O 0.56082527641988 0.42221614398305 0.81743906092717 15.999 40 O 0.02309276578583 0.62486226123610 0.35939635182236 15.999 41 O 0.25258979049229 0.99189731471967 0.46670457225638 15.999 42 O 0.42392967753611 0.38324220173346 0.57822299570991 15.999 43 O 0.06237479502378 0.84113611193792 0.58846919030027 15.999 44 O 0.57607032246389 0.61675779826654 0.42177700429009 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.245889720052912 0.000000000000000 0.000000000000000 b 0.000000000000000 13.488440039999997 0.000000000000000 c -4.839951138814127 0.000000000000000 10.682072695901779 Atomic positions (fractional): 1 Sr 0.27130527787010 0.15847939126475 0.34382471756598 87.620 > 1 2 Sr 0.27130527787010 0.49181272459808 0.34382471756598 87.620 > 1 3 Sr 0.27130527787010 0.82514605793142 0.34382471756598 87.620 > 1 4 Sr 0.27130527787010 0.00818727540192 0.84382471756598 87.620 > 4 5 Sr 0.27130527787010 0.34152060873525 0.84382471756598 87.620 > 4 6 Sr 0.27130527787010 0.67485394206859 0.84382471756598 87.620 > 4 7 Sr 0.72869472212990 0.17485394206858 0.65617528243402 87.620 > 7 8 Sr 0.72869472212990 0.50818727540192 0.65617528243402 87.620 > 7 9 Sr 0.72869472212990 0.84152060873525 0.65617528243402 87.620 > 7 10 Sr 0.72869472212990 0.32514605793141 0.15617528243402 87.620 > 10 11 Sr 0.72869472212990 0.65847939126475 0.15617528243402 87.620 > 10 12 Sr 0.72869472212990 0.99181272459808 0.15617528243402 87.620 > 10 13 Be 0.59056506988395 0.14536676008287 0.30731830285723 9.012 > 13 14 Be 0.59056506988395 0.47870009341620 0.30731830285723 9.012 > 13 15 Be 0.59056506988395 0.81203342674953 0.30731830285723 9.012 > 13 16 Be 0.40943493011605 0.18796657325047 0.69268169714276 9.012 > 16 17 Be 0.40943493011605 0.52129990658380 0.69268169714276 9.012 > 16 18 Be 0.40943493011605 0.85463323991713 0.69268169714276 9.012 > 16 19 Be 0.92163752708469 0.13462628726914 0.04805987231637 9.012 > 19 20 Be 0.92163752708469 0.46795962060247 0.04805987231637 9.012 > 19 21 Be 0.92163752708469 0.80129295393580 0.04805987231637 9.012 > 19 22 Be 0.07836247291531 0.30129295393580 0.45194012768363 9.012 > 22 23 Be 0.07836247291531 0.63462628726914 0.45194012768363 9.012 > 22 24 Be 0.07836247291531 0.96795962060247 0.45194012768363 9.012 > 22 25 Be 0.59056506988395 0.02129990658380 0.80731830285724 9.012 > 25 26 Be 0.59056506988395 0.35463323991713 0.80731830285724 9.012 > 25 27 Be 0.59056506988395 0.68796657325047 0.80731830285724 9.012 > 25 28 Be 0.07836247291531 0.19870704606420 0.95194012768363 9.012 > 28 29 Be 0.07836247291531 0.53204037939753 0.95194012768363 9.012 > 28 30 Be 0.07836247291531 0.86537371273086 0.95194012768363 9.012 > 28 31 Be 0.40943493011605 0.31203342674953 0.19268169714277 9.012 > 31 32 Be 0.40943493011605 0.64536676008287 0.19268169714277 9.012 > 31 33 Be 0.40943493011605 0.97870009341620 0.19268169714277 9.012 > 31 34 Be 0.92163752708469 0.03204037939753 0.54805987231637 9.012 > 34 35 Be 0.92163752708469 0.36537371273086 0.54805987231637 9.012 > 34 36 Be 0.92163752708469 0.69870704606420 0.54805987231637 9.012 > 34 37 B 0.09569192971234 0.18745532514222 0.64518561479717 10.811 > 37 38 B 0.09569192971234 0.52078865847555 0.64518561479717 10.811 > 37 39 B 0.09569192971234 0.85412199180889 0.64518561479717 10.811 > 37 40 B 0.63038636556520 0.30144373856759 0.42523680423234 10.811 > 40 41 B 0.63038636556520 0.63477707190092 0.42523680423234 10.811 > 40 42 B 0.63038636556520 0.96811040523426 0.42523680423234 10.811 > 40 43 B 0.36961363443480 0.03188959476574 0.57476319576766 10.811 > 43 44 B 0.36961363443480 0.36522292809907 0.57476319576766 10.811 > 43 45 B 0.36961363443480 0.69855626143241 0.57476319576766 10.811 > 43 46 B 0.90430807028766 0.14587800819111 0.35481438520283 10.811 > 46 47 B 0.90430807028766 0.47921134152445 0.35481438520283 10.811 > 46 48 B 0.90430807028766 0.81254467485778 0.35481438520283 10.811 > 46 49 B 0.09569192971234 0.31254467485778 0.14518561479717 10.811 > 49 50 B 0.09569192971234 0.64587800819111 0.14518561479717 10.811 > 49 51 B 0.09569192971234 0.97921134152445 0.14518561479717 10.811 > 49 52 B 0.63038636556520 0.19855626143241 0.92523680423234 10.811 > 52 53 B 0.63038636556520 0.53188959476574 0.92523680423234 10.811 > 52 54 B 0.63038636556520 0.86522292809908 0.92523680423234 10.811 > 52 55 B 0.36961363443480 0.13477707190092 0.07476319576766 10.811 > 55 56 B 0.36961363443480 0.46811040523426 0.07476319576766 10.811 > 55 57 B 0.36961363443480 0.80144373856759 0.07476319576766 10.811 > 55 58 B 0.90430807028766 0.02078865847555 0.85481438520283 10.811 > 58 59 B 0.90430807028766 0.35412199180889 0.85481438520283 10.811 > 58 60 B 0.90430807028766 0.68745532514222 0.85481438520283 10.811 > 58 61 O 0.25218786886581 0.00404150993191 0.21193089313269 15.999 > 61 62 O 0.25218786886581 0.33737484326524 0.21193089313269 15.999 > 61 63 O 0.25218786886581 0.67070817659857 0.21193089313269 15.999 > 61 64 O 0.43917472358012 0.30740538132768 0.68256093907283 15.999 > 64 65 O 0.43917472358012 0.64073871466102 0.68256093907283 15.999 > 64 66 O 0.43917472358012 0.97407204799435 0.68256093907283 15.999 > 64 67 O 0.74781213113419 0.32929182340143 0.78806910686731 15.999 > 67 68 O 0.74781213113419 0.66262515673476 0.78806910686731 15.999 > 67 69 O 0.74781213113419 0.99595849006809 0.78806910686731 15.999 > 67 70 O 0.25218786886581 0.16262515673476 0.71193089313269 15.999 > 70 71 O 0.25218786886581 0.49595849006809 0.71193089313269 15.999 > 70 72 O 0.25218786886581 0.82929182340143 0.71193089313269 15.999 > 70 73 O 0.43917472358012 0.19259461867232 0.18256093907283 15.999 > 73 74 O 0.43917472358012 0.52592795200565 0.18256093907283 15.999 > 73 75 O 0.43917472358012 0.85926128533898 0.18256093907283 15.999 > 73 76 O 0.06237479502378 0.21962129602069 0.08846919030026 15.999 > 76 77 O 0.06237479502378 0.55295462935403 0.08846919030026 15.999 > 76 78 O 0.06237479502378 0.88628796268736 0.08846919030026 15.999 > 76 79 O 0.97690723421417 0.04162075374537 0.14060364817764 15.999 > 79 80 O 0.97690723421417 0.37495408707870 0.14060364817764 15.999 > 79 81 O 0.97690723421417 0.70828742041203 0.14060364817764 15.999 > 79 82 O 0.02309276578583 0.29171257958797 0.85939635182236 15.999 > 82 83 O 0.02309276578583 0.62504591292130 0.85939635182236 15.999 > 82 84 O 0.02309276578583 0.95837924625463 0.85939635182236 15.999 > 82 85 O 0.42392967753611 0.03891926608885 0.07822299570991 15.999 > 85 86 O 0.42392967753611 0.37225259942218 0.07822299570991 15.999 > 85 87 O 0.42392967753611 0.70558593275551 0.07822299570991 15.999 > 85 88 O 0.97690723421417 0.12504591292130 0.64060364817764 15.999 > 88 89 O 0.97690723421417 0.45837924625463 0.64060364817764 15.999 > 88 90 O 0.97690723421417 0.79171257958797 0.64060364817764 15.999 > 88 91 O 0.74741020950771 0.16396577157322 0.03329542774362 15.999 > 91 92 O 0.74741020950771 0.49729910490656 0.03329542774362 15.999 > 91 93 O 0.74741020950771 0.83063243823989 0.03329542774362 15.999 > 91 94 O 0.93762520497622 0.05295462935403 0.41153080969973 15.999 > 94 95 O 0.93762520497622 0.38628796268736 0.41153080969973 15.999 > 94 96 O 0.93762520497622 0.71962129602069 0.41153080969973 15.999 > 94 97 O 0.93762520497622 0.11371203731264 0.91153080969973 15.999 > 97 98 O 0.93762520497622 0.44704537064597 0.91153080969973 15.999 > 97 99 O 0.93762520497622 0.78037870397931 0.91153080969973 15.999 > 97 100 O 0.25258979049229 0.16936756176011 0.96670457225638 15.999 > 100 101 O 0.25258979049229 0.50270089509344 0.96670457225638 15.999 > 100 102 O 0.25258979049229 0.83603422842678 0.96670457225638 15.999 > 100 103 O 0.74741020950771 0.00270089509344 0.53329542774362 15.999 > 103 104 O 0.74741020950771 0.33603422842678 0.53329542774362 15.999 > 103 105 O 0.74741020950771 0.66936756176011 0.53329542774362 15.999 > 103 106 O 0.56082527641988 0.02592795200565 0.31743906092717 15.999 > 106 107 O 0.56082527641988 0.35926128533898 0.31743906092717 15.999 > 106 108 O 0.56082527641988 0.69259461867232 0.31743906092717 15.999 > 106 109 O 0.74781213113419 0.17070817659857 0.28806910686731 15.999 > 109 110 O 0.74781213113419 0.50404150993191 0.28806910686731 15.999 > 109 111 O 0.74781213113419 0.83737484326524 0.28806910686731 15.999 > 109 112 O 0.57607032246389 0.29441406724449 0.92177700429009 15.999 > 112 113 O 0.57607032246389 0.62774740057782 0.92177700429009 15.999 > 112 114 O 0.57607032246389 0.96108073391115 0.92177700429009 15.999 > 112 115 O 0.56082527641988 0.14073871466102 0.81743906092717 15.999 > 115 116 O 0.56082527641988 0.47407204799435 0.81743906092717 15.999 > 115 117 O 0.56082527641988 0.80740538132768 0.81743906092717 15.999 > 115 118 O 0.02309276578583 0.20828742041203 0.35939635182236 15.999 > 118 119 O 0.02309276578583 0.54162075374537 0.35939635182236 15.999 > 118 120 O 0.02309276578583 0.87495408707870 0.35939635182236 15.999 > 118 121 O 0.25258979049229 0.33063243823989 0.46670457225638 15.999 > 121 122 O 0.25258979049229 0.66396577157322 0.46670457225638 15.999 > 121 123 O 0.25258979049229 0.99729910490656 0.46670457225638 15.999 > 121 124 O 0.42392967753611 0.12774740057782 0.57822299570991 15.999 > 124 125 O 0.42392967753611 0.46108073391115 0.57822299570991 15.999 > 124 126 O 0.42392967753611 0.79441406724449 0.57822299570991 15.999 > 124 127 O 0.06237479502378 0.28037870397931 0.58846919030027 15.999 > 127 128 O 0.06237479502378 0.61371203731264 0.58846919030027 15.999 > 127 129 O 0.06237479502378 0.94704537064597 0.58846919030027 15.999 > 127 130 O 0.57607032246389 0.20558593275551 0.42177700429009 15.999 > 130 131 O 0.57607032246389 0.53891926608885 0.42177700429009 15.999 > 130 132 O 0.57607032246389 0.87225259942218 0.42177700429009 15.999 > 130 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8830224 0.0000000 0.0892461 0.0000000 2.9721451 0.0000000 0.0892457 0.0000000 2.9184680 -------------------------- Born effective charges -------------------------- 1 Sr 2.5363881 -0.0100822 -0.0668410 0.0044295 2.4541051 0.0216226 -0.1301354 -0.0096348 2.6313408 2 Sr 2.5363881 0.0100822 -0.0668410 -0.0044295 2.4541051 -0.0216226 -0.1301354 0.0096348 2.6313408 3 Sr 2.5363881 -0.0100822 -0.0668410 0.0044295 2.4541051 0.0216226 -0.1301354 -0.0096348 2.6313408 4 Sr 2.5363881 0.0100822 -0.0668410 -0.0044295 2.4541051 -0.0216226 -0.1301354 0.0096348 2.6313408 5 Be 1.9149927 -0.0013399 0.0876480 -0.0613052 1.9075957 0.1849205 0.0874970 -0.0247076 1.7439037 6 Be 1.9149927 -0.0013399 0.0876480 -0.0613052 1.9075957 0.1849205 0.0874970 -0.0247076 1.7439037 7 Be 1.9385725 -0.0575881 0.0120818 -0.0107743 1.9171583 -0.0647946 0.0938184 -0.1151071 1.7745654 8 Be 1.9385725 0.0575881 0.0120818 0.0107743 1.9171583 0.0647946 0.0938184 0.1151071 1.7745654 9 Be 1.9149927 0.0013399 0.0876480 0.0613052 1.9075957 -0.1849205 0.0874970 0.0247076 1.7439037 10 Be 1.9385725 -0.0575881 0.0120818 -0.0107743 1.9171583 -0.0647946 0.0938184 -0.1151071 1.7745654 11 Be 1.9149927 0.0013399 0.0876480 0.0613052 1.9075957 -0.1849205 0.0874970 0.0247076 1.7439037 12 Be 1.9385725 0.0575881 0.0120818 0.0107743 1.9171583 0.0647946 0.0938184 0.1151071 1.7745654 13 B 2.4278176 0.3926578 0.6446348 0.3979037 2.3943057 -0.6155886 0.6747848 -0.6416189 1.4174801 14 B 1.1426918 0.5582512 0.6090017 0.5392350 2.4694690 -0.1196674 0.5735478 -0.1477343 2.5341948 15 B 1.1426918 0.5582512 0.6090017 0.5392350 2.4694690 -0.1196674 0.5735478 -0.1477343 2.5341948 16 B 2.4278176 0.3926578 0.6446348 0.3979037 2.3943057 -0.6155886 0.6747848 -0.6416189 1.4174801 17 B 2.4278176 -0.3926578 0.6446348 -0.3979037 2.3943057 0.6155886 0.6747848 0.6416189 1.4174801 18 B 1.1426918 -0.5582512 0.6090017 -0.5392350 2.4694690 0.1196674 0.5735478 0.1477343 2.5341948 19 B 1.1426918 -0.5582512 0.6090017 -0.5392350 2.4694690 0.1196674 0.5735478 0.1477343 2.5341948 20 B 2.4278176 -0.3926578 0.6446348 -0.3979037 2.3943057 0.6155886 0.6747848 0.6416189 1.4174801 21 O -2.3068802 -0.0273198 -0.4130794 -0.0919071 -1.5094034 -0.1948722 -0.4494946 -0.2426986 -1.4222468 22 O -1.1822935 -0.1235342 -0.3118650 -0.1292367 -1.9025132 0.4468654 -0.2265570 0.3843896 -2.0676390 23 O -2.3068802 -0.0273198 -0.4130794 -0.0919071 -1.5094034 -0.1948722 -0.4494946 -0.2426986 -1.4222468 24 O -2.3068802 0.0273198 -0.4130794 0.0919071 -1.5094034 0.1948722 -0.4494946 0.2426986 -1.4222468 25 O -1.1822935 0.1235342 -0.3118650 0.1292367 -1.9025132 -0.4468654 -0.2265570 -0.3843896 -2.0676390 26 O -1.3319357 -0.1367950 -0.0354777 -0.1598525 -2.1803792 -0.6155106 -0.0539548 -0.6089776 -1.7062810 27 O -2.0711741 0.4340045 -0.0812023 0.4941794 -1.8737019 0.2185207 -0.1099884 0.2002972 -1.3024159 28 O -2.0711741 0.4340045 -0.0812023 0.4941794 -1.8737019 0.2185207 -0.1099884 0.2002972 -1.3024159 29 O -1.4359212 0.3378241 -0.0403322 0.3062910 -2.0953065 0.2622273 -0.0468545 0.1364244 -1.6689720 30 O -2.0711741 -0.4340045 -0.0812023 -0.4941794 -1.8737019 -0.2185207 -0.1099884 -0.2002972 -1.3024159 31 O -1.6322579 0.4060214 -0.4045686 0.3585999 -1.5813297 0.2790941 -0.4126633 0.3153000 -1.9339300 32 O -1.3319357 0.1367950 -0.0354777 0.1598525 -2.1803792 0.6155106 -0.0539548 0.6089776 -1.7062810 33 O -1.3319357 -0.1367950 -0.0354777 -0.1598525 -2.1803792 -0.6155106 -0.0539548 -0.6089776 -1.7062810 34 O -1.6322579 0.4060214 -0.4045686 0.3585999 -1.5813297 0.2790941 -0.4126633 0.3153000 -1.9339300 35 O -1.6322579 -0.4060214 -0.4045686 -0.3585999 -1.5813297 -0.2790941 -0.4126633 -0.3153000 -1.9339300 36 O -1.1822935 -0.1235342 -0.3118650 -0.1292367 -1.9025132 0.4468654 -0.2265570 0.3843896 -2.0676390 37 O -2.3068802 0.0273198 -0.4130794 0.0919071 -1.5094034 0.1948722 -0.4494946 0.2426986 -1.4222468 38 O -1.4359212 0.3378241 -0.0403322 0.3062910 -2.0953065 0.2622273 -0.0468545 0.1364244 -1.6689720 39 O -1.1822935 0.1235342 -0.3118650 0.1292367 -1.9025132 -0.4468654 -0.2265570 -0.3843896 -2.0676390 40 O -2.0711741 -0.4340045 -0.0812023 -0.4941794 -1.8737019 -0.2185207 -0.1099884 -0.2002972 -1.3024159 41 O -1.6322579 -0.4060214 -0.4045686 -0.3585999 -1.5813297 -0.2790941 -0.4126633 -0.3153000 -1.9339300 42 O -1.4359212 -0.3378241 -0.0403322 -0.3062910 -2.0953065 -0.2622273 -0.0468545 -0.1364244 -1.6689720 43 O -1.3319357 0.1367950 -0.0354777 0.1598525 -2.1803792 0.6155106 -0.0539548 0.6089776 -1.7062810 44 O -1.4359212 -0.3378241 -0.0403322 -0.3062910 -2.0953065 -0.2622273 -0.0468545 -0.1364244 -1.6689720 ---------------------------------------------------------------------------- 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 19, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 40, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 64, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 76, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 79, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 91, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 14:35:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:36:01]------------------------- 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 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.245889720052912 0.000000000000000 0.000000000000000 b 0.000000000000000 4.496146679999999 0.000000000000000 c -4.839951138814127 0.000000000000000 10.682072695901779 Atomic positions (fractional): 1 Sr 0.27130527787010 0.47543817379425 0.34382471756598 87.620 2 Sr 0.27130527787010 0.02456182620575 0.84382471756598 87.620 3 Sr 0.72869472212990 0.52456182620575 0.65617528243402 87.620 4 Sr 0.72869472212990 0.97543817379425 0.15617528243402 87.620 5 Be 0.59056506988395 0.43610028024860 0.30731830285723 9.012 6 Be 0.40943493011605 0.56389971975140 0.69268169714276 9.012 7 Be 0.92163752708469 0.40387886180741 0.04805987231637 9.012 8 Be 0.07836247291531 0.90387886180741 0.45194012768363 9.012 9 Be 0.59056506988395 0.06389971975140 0.80731830285724 9.012 10 Be 0.07836247291531 0.59612113819259 0.95194012768363 9.012 11 Be 0.40943493011605 0.93610028024860 0.19268169714277 9.012 12 Be 0.92163752708469 0.09612113819259 0.54805987231637 9.012 13 B 0.09569192971234 0.56236597542666 0.64518561479717 10.811 14 B 0.63038636556520 0.90433121570277 0.42523680423234 10.811 15 B 0.36961363443480 0.09566878429723 0.57476319576766 10.811 16 B 0.90430807028766 0.43763402457334 0.35481438520283 10.811 17 B 0.09569192971234 0.93763402457334 0.14518561479717 10.811 18 B 0.63038636556520 0.59566878429723 0.92523680423234 10.811 19 B 0.36961363443480 0.40433121570277 0.07476319576766 10.811 20 B 0.90430807028766 0.06236597542666 0.85481438520283 10.811 21 O 0.25218786886581 0.01212452979572 0.21193089313269 15.999 22 O 0.43917472358012 0.92221614398305 0.68256093907283 15.999 23 O 0.74781213113419 0.98787547020428 0.78806910686731 15.999 24 O 0.25218786886581 0.48787547020428 0.71193089313269 15.999 25 O 0.43917472358012 0.57778385601695 0.18256093907283 15.999 26 O 0.06237479502378 0.65886388806208 0.08846919030026 15.999 27 O 0.97690723421417 0.12486226123610 0.14060364817764 15.999 28 O 0.02309276578583 0.87513773876390 0.85939635182236 15.999 29 O 0.42392967753611 0.11675779826654 0.07822299570991 15.999 30 O 0.97690723421417 0.37513773876390 0.64060364817764 15.999 31 O 0.74741020950771 0.49189731471967 0.03329542774362 15.999 32 O 0.93762520497622 0.15886388806208 0.41153080969973 15.999 33 O 0.93762520497622 0.34113611193792 0.91153080969973 15.999 34 O 0.25258979049229 0.50810268528033 0.96670457225638 15.999 35 O 0.74741020950771 0.00810268528033 0.53329542774362 15.999 36 O 0.56082527641988 0.07778385601695 0.31743906092717 15.999 37 O 0.74781213113419 0.51212452979572 0.28806910686731 15.999 38 O 0.57607032246389 0.88324220173346 0.92177700429009 15.999 39 O 0.56082527641988 0.42221614398305 0.81743906092717 15.999 40 O 0.02309276578583 0.62486226123610 0.35939635182236 15.999 41 O 0.25258979049229 0.99189731471967 0.46670457225638 15.999 42 O 0.42392967753611 0.38324220173346 0.57822299570991 15.999 43 O 0.06237479502378 0.84113611193792 0.58846919030027 15.999 44 O 0.57607032246389 0.61675779826654 0.42177700429009 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.245889720052912 0.000000000000000 0.000000000000000 b 0.000000000000000 13.488440039999997 0.000000000000000 c -4.839951138814127 0.000000000000000 10.682072695901779 Atomic positions (fractional): 1 Sr 0.27130527787010 0.15847939126475 0.34382471756598 87.620 > 1 2 Sr 0.27130527787010 0.49181272459808 0.34382471756598 87.620 > 1 3 Sr 0.27130527787010 0.82514605793142 0.34382471756598 87.620 > 1 4 Sr 0.27130527787010 0.00818727540192 0.84382471756598 87.620 > 4 5 Sr 0.27130527787010 0.34152060873525 0.84382471756598 87.620 > 4 6 Sr 0.27130527787010 0.67485394206859 0.84382471756598 87.620 > 4 7 Sr 0.72869472212990 0.17485394206858 0.65617528243402 87.620 > 7 8 Sr 0.72869472212990 0.50818727540192 0.65617528243402 87.620 > 7 9 Sr 0.72869472212990 0.84152060873525 0.65617528243402 87.620 > 7 10 Sr 0.72869472212990 0.32514605793141 0.15617528243402 87.620 > 10 11 Sr 0.72869472212990 0.65847939126475 0.15617528243402 87.620 > 10 12 Sr 0.72869472212990 0.99181272459808 0.15617528243402 87.620 > 10 13 Be 0.59056506988395 0.14536676008287 0.30731830285723 9.012 > 13 14 Be 0.59056506988395 0.47870009341620 0.30731830285723 9.012 > 13 15 Be 0.59056506988395 0.81203342674953 0.30731830285723 9.012 > 13 16 Be 0.40943493011605 0.18796657325047 0.69268169714276 9.012 > 16 17 Be 0.40943493011605 0.52129990658380 0.69268169714276 9.012 > 16 18 Be 0.40943493011605 0.85463323991713 0.69268169714276 9.012 > 16 19 Be 0.92163752708469 0.13462628726914 0.04805987231637 9.012 > 19 20 Be 0.92163752708469 0.46795962060247 0.04805987231637 9.012 > 19 21 Be 0.92163752708469 0.80129295393580 0.04805987231637 9.012 > 19 22 Be 0.07836247291531 0.30129295393580 0.45194012768363 9.012 > 22 23 Be 0.07836247291531 0.63462628726914 0.45194012768363 9.012 > 22 24 Be 0.07836247291531 0.96795962060247 0.45194012768363 9.012 > 22 25 Be 0.59056506988395 0.02129990658380 0.80731830285724 9.012 > 25 26 Be 0.59056506988395 0.35463323991713 0.80731830285724 9.012 > 25 27 Be 0.59056506988395 0.68796657325047 0.80731830285724 9.012 > 25 28 Be 0.07836247291531 0.19870704606420 0.95194012768363 9.012 > 28 29 Be 0.07836247291531 0.53204037939753 0.95194012768363 9.012 > 28 30 Be 0.07836247291531 0.86537371273086 0.95194012768363 9.012 > 28 31 Be 0.40943493011605 0.31203342674953 0.19268169714277 9.012 > 31 32 Be 0.40943493011605 0.64536676008287 0.19268169714277 9.012 > 31 33 Be 0.40943493011605 0.97870009341620 0.19268169714277 9.012 > 31 34 Be 0.92163752708469 0.03204037939753 0.54805987231637 9.012 > 34 35 Be 0.92163752708469 0.36537371273086 0.54805987231637 9.012 > 34 36 Be 0.92163752708469 0.69870704606420 0.54805987231637 9.012 > 34 37 B 0.09569192971234 0.18745532514222 0.64518561479717 10.811 > 37 38 B 0.09569192971234 0.52078865847555 0.64518561479717 10.811 > 37 39 B 0.09569192971234 0.85412199180889 0.64518561479717 10.811 > 37 40 B 0.63038636556520 0.30144373856759 0.42523680423234 10.811 > 40 41 B 0.63038636556520 0.63477707190092 0.42523680423234 10.811 > 40 42 B 0.63038636556520 0.96811040523426 0.42523680423234 10.811 > 40 43 B 0.36961363443480 0.03188959476574 0.57476319576766 10.811 > 43 44 B 0.36961363443480 0.36522292809907 0.57476319576766 10.811 > 43 45 B 0.36961363443480 0.69855626143241 0.57476319576766 10.811 > 43 46 B 0.90430807028766 0.14587800819111 0.35481438520283 10.811 > 46 47 B 0.90430807028766 0.47921134152445 0.35481438520283 10.811 > 46 48 B 0.90430807028766 0.81254467485778 0.35481438520283 10.811 > 46 49 B 0.09569192971234 0.31254467485778 0.14518561479717 10.811 > 49 50 B 0.09569192971234 0.64587800819111 0.14518561479717 10.811 > 49 51 B 0.09569192971234 0.97921134152445 0.14518561479717 10.811 > 49 52 B 0.63038636556520 0.19855626143241 0.92523680423234 10.811 > 52 53 B 0.63038636556520 0.53188959476574 0.92523680423234 10.811 > 52 54 B 0.63038636556520 0.86522292809908 0.92523680423234 10.811 > 52 55 B 0.36961363443480 0.13477707190092 0.07476319576766 10.811 > 55 56 B 0.36961363443480 0.46811040523426 0.07476319576766 10.811 > 55 57 B 0.36961363443480 0.80144373856759 0.07476319576766 10.811 > 55 58 B 0.90430807028766 0.02078865847555 0.85481438520283 10.811 > 58 59 B 0.90430807028766 0.35412199180889 0.85481438520283 10.811 > 58 60 B 0.90430807028766 0.68745532514222 0.85481438520283 10.811 > 58 61 O 0.25218786886581 0.00404150993191 0.21193089313269 15.999 > 61 62 O 0.25218786886581 0.33737484326524 0.21193089313269 15.999 > 61 63 O 0.25218786886581 0.67070817659857 0.21193089313269 15.999 > 61 64 O 0.43917472358012 0.30740538132768 0.68256093907283 15.999 > 64 65 O 0.43917472358012 0.64073871466102 0.68256093907283 15.999 > 64 66 O 0.43917472358012 0.97407204799435 0.68256093907283 15.999 > 64 67 O 0.74781213113419 0.32929182340143 0.78806910686731 15.999 > 67 68 O 0.74781213113419 0.66262515673476 0.78806910686731 15.999 > 67 69 O 0.74781213113419 0.99595849006809 0.78806910686731 15.999 > 67 70 O 0.25218786886581 0.16262515673476 0.71193089313269 15.999 > 70 71 O 0.25218786886581 0.49595849006809 0.71193089313269 15.999 > 70 72 O 0.25218786886581 0.82929182340143 0.71193089313269 15.999 > 70 73 O 0.43917472358012 0.19259461867232 0.18256093907283 15.999 > 73 74 O 0.43917472358012 0.52592795200565 0.18256093907283 15.999 > 73 75 O 0.43917472358012 0.85926128533898 0.18256093907283 15.999 > 73 76 O 0.06237479502378 0.21962129602069 0.08846919030026 15.999 > 76 77 O 0.06237479502378 0.55295462935403 0.08846919030026 15.999 > 76 78 O 0.06237479502378 0.88628796268736 0.08846919030026 15.999 > 76 79 O 0.97690723421417 0.04162075374537 0.14060364817764 15.999 > 79 80 O 0.97690723421417 0.37495408707870 0.14060364817764 15.999 > 79 81 O 0.97690723421417 0.70828742041203 0.14060364817764 15.999 > 79 82 O 0.02309276578583 0.29171257958797 0.85939635182236 15.999 > 82 83 O 0.02309276578583 0.62504591292130 0.85939635182236 15.999 > 82 84 O 0.02309276578583 0.95837924625463 0.85939635182236 15.999 > 82 85 O 0.42392967753611 0.03891926608885 0.07822299570991 15.999 > 85 86 O 0.42392967753611 0.37225259942218 0.07822299570991 15.999 > 85 87 O 0.42392967753611 0.70558593275551 0.07822299570991 15.999 > 85 88 O 0.97690723421417 0.12504591292130 0.64060364817764 15.999 > 88 89 O 0.97690723421417 0.45837924625463 0.64060364817764 15.999 > 88 90 O 0.97690723421417 0.79171257958797 0.64060364817764 15.999 > 88 91 O 0.74741020950771 0.16396577157322 0.03329542774362 15.999 > 91 92 O 0.74741020950771 0.49729910490656 0.03329542774362 15.999 > 91 93 O 0.74741020950771 0.83063243823989 0.03329542774362 15.999 > 91 94 O 0.93762520497622 0.05295462935403 0.41153080969973 15.999 > 94 95 O 0.93762520497622 0.38628796268736 0.41153080969973 15.999 > 94 96 O 0.93762520497622 0.71962129602069 0.41153080969973 15.999 > 94 97 O 0.93762520497622 0.11371203731264 0.91153080969973 15.999 > 97 98 O 0.93762520497622 0.44704537064597 0.91153080969973 15.999 > 97 99 O 0.93762520497622 0.78037870397931 0.91153080969973 15.999 > 97 100 O 0.25258979049229 0.16936756176011 0.96670457225638 15.999 > 100 101 O 0.25258979049229 0.50270089509344 0.96670457225638 15.999 > 100 102 O 0.25258979049229 0.83603422842678 0.96670457225638 15.999 > 100 103 O 0.74741020950771 0.00270089509344 0.53329542774362 15.999 > 103 104 O 0.74741020950771 0.33603422842678 0.53329542774362 15.999 > 103 105 O 0.74741020950771 0.66936756176011 0.53329542774362 15.999 > 103 106 O 0.56082527641988 0.02592795200565 0.31743906092717 15.999 > 106 107 O 0.56082527641988 0.35926128533898 0.31743906092717 15.999 > 106 108 O 0.56082527641988 0.69259461867232 0.31743906092717 15.999 > 106 109 O 0.74781213113419 0.17070817659857 0.28806910686731 15.999 > 109 110 O 0.74781213113419 0.50404150993191 0.28806910686731 15.999 > 109 111 O 0.74781213113419 0.83737484326524 0.28806910686731 15.999 > 109 112 O 0.57607032246389 0.29441406724449 0.92177700429009 15.999 > 112 113 O 0.57607032246389 0.62774740057782 0.92177700429009 15.999 > 112 114 O 0.57607032246389 0.96108073391115 0.92177700429009 15.999 > 112 115 O 0.56082527641988 0.14073871466102 0.81743906092717 15.999 > 115 116 O 0.56082527641988 0.47407204799435 0.81743906092717 15.999 > 115 117 O 0.56082527641988 0.80740538132768 0.81743906092717 15.999 > 115 118 O 0.02309276578583 0.20828742041203 0.35939635182236 15.999 > 118 119 O 0.02309276578583 0.54162075374537 0.35939635182236 15.999 > 118 120 O 0.02309276578583 0.87495408707870 0.35939635182236 15.999 > 118 121 O 0.25258979049229 0.33063243823989 0.46670457225638 15.999 > 121 122 O 0.25258979049229 0.66396577157322 0.46670457225638 15.999 > 121 123 O 0.25258979049229 0.99729910490656 0.46670457225638 15.999 > 121 124 O 0.42392967753611 0.12774740057782 0.57822299570991 15.999 > 124 125 O 0.42392967753611 0.46108073391115 0.57822299570991 15.999 > 124 126 O 0.42392967753611 0.79441406724449 0.57822299570991 15.999 > 124 127 O 0.06237479502378 0.28037870397931 0.58846919030027 15.999 > 127 128 O 0.06237479502378 0.61371203731264 0.58846919030027 15.999 > 127 129 O 0.06237479502378 0.94704537064597 0.58846919030027 15.999 > 127 130 O 0.57607032246389 0.20558593275551 0.42177700429009 15.999 > 130 131 O 0.57607032246389 0.53891926608885 0.42177700429009 15.999 > 130 132 O 0.57607032246389 0.87225259942218 0.42177700429009 15.999 > 130 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8830224 0.0000000 0.0892461 0.0000000 2.9721451 0.0000000 0.0892457 0.0000000 2.9184680 -------------------------- Born effective charges -------------------------- 1 Sr 2.5363881 -0.0100822 -0.0668410 0.0044295 2.4541051 0.0216226 -0.1301354 -0.0096348 2.6313408 2 Sr 2.5363881 0.0100822 -0.0668410 -0.0044295 2.4541051 -0.0216226 -0.1301354 0.0096348 2.6313408 3 Sr 2.5363881 -0.0100822 -0.0668410 0.0044295 2.4541051 0.0216226 -0.1301354 -0.0096348 2.6313408 4 Sr 2.5363881 0.0100822 -0.0668410 -0.0044295 2.4541051 -0.0216226 -0.1301354 0.0096348 2.6313408 5 Be 1.9149927 -0.0013399 0.0876480 -0.0613052 1.9075957 0.1849205 0.0874970 -0.0247076 1.7439037 6 Be 1.9149927 -0.0013399 0.0876480 -0.0613052 1.9075957 0.1849205 0.0874970 -0.0247076 1.7439037 7 Be 1.9385725 -0.0575881 0.0120818 -0.0107743 1.9171583 -0.0647946 0.0938184 -0.1151071 1.7745654 8 Be 1.9385725 0.0575881 0.0120818 0.0107743 1.9171583 0.0647946 0.0938184 0.1151071 1.7745654 9 Be 1.9149927 0.0013399 0.0876480 0.0613052 1.9075957 -0.1849205 0.0874970 0.0247076 1.7439037 10 Be 1.9385725 -0.0575881 0.0120818 -0.0107743 1.9171583 -0.0647946 0.0938184 -0.1151071 1.7745654 11 Be 1.9149927 0.0013399 0.0876480 0.0613052 1.9075957 -0.1849205 0.0874970 0.0247076 1.7439037 12 Be 1.9385725 0.0575881 0.0120818 0.0107743 1.9171583 0.0647946 0.0938184 0.1151071 1.7745654 13 B 2.4278176 0.3926578 0.6446348 0.3979037 2.3943057 -0.6155886 0.6747848 -0.6416189 1.4174801 14 B 1.1426918 0.5582512 0.6090017 0.5392350 2.4694690 -0.1196674 0.5735478 -0.1477343 2.5341948 15 B 1.1426918 0.5582512 0.6090017 0.5392350 2.4694690 -0.1196674 0.5735478 -0.1477343 2.5341948 16 B 2.4278176 0.3926578 0.6446348 0.3979037 2.3943057 -0.6155886 0.6747848 -0.6416189 1.4174801 17 B 2.4278176 -0.3926578 0.6446348 -0.3979037 2.3943057 0.6155886 0.6747848 0.6416189 1.4174801 18 B 1.1426918 -0.5582512 0.6090017 -0.5392350 2.4694690 0.1196674 0.5735478 0.1477343 2.5341948 19 B 1.1426918 -0.5582512 0.6090017 -0.5392350 2.4694690 0.1196674 0.5735478 0.1477343 2.5341948 20 B 2.4278176 -0.3926578 0.6446348 -0.3979037 2.3943057 0.6155886 0.6747848 0.6416189 1.4174801 21 O -2.3068802 -0.0273198 -0.4130794 -0.0919071 -1.5094034 -0.1948722 -0.4494946 -0.2426986 -1.4222468 22 O -1.1822935 -0.1235342 -0.3118650 -0.1292367 -1.9025132 0.4468654 -0.2265570 0.3843896 -2.0676390 23 O -2.3068802 -0.0273198 -0.4130794 -0.0919071 -1.5094034 -0.1948722 -0.4494946 -0.2426986 -1.4222468 24 O -2.3068802 0.0273198 -0.4130794 0.0919071 -1.5094034 0.1948722 -0.4494946 0.2426986 -1.4222468 25 O -1.1822935 0.1235342 -0.3118650 0.1292367 -1.9025132 -0.4468654 -0.2265570 -0.3843896 -2.0676390 26 O -1.3319357 -0.1367950 -0.0354777 -0.1598525 -2.1803792 -0.6155106 -0.0539548 -0.6089776 -1.7062810 27 O -2.0711741 0.4340045 -0.0812023 0.4941794 -1.8737019 0.2185207 -0.1099884 0.2002972 -1.3024159 28 O -2.0711741 0.4340045 -0.0812023 0.4941794 -1.8737019 0.2185207 -0.1099884 0.2002972 -1.3024159 29 O -1.4359212 0.3378241 -0.0403322 0.3062910 -2.0953065 0.2622273 -0.0468545 0.1364244 -1.6689720 30 O -2.0711741 -0.4340045 -0.0812023 -0.4941794 -1.8737019 -0.2185207 -0.1099884 -0.2002972 -1.3024159 31 O -1.6322579 0.4060214 -0.4045686 0.3585999 -1.5813297 0.2790941 -0.4126633 0.3153000 -1.9339300 32 O -1.3319357 0.1367950 -0.0354777 0.1598525 -2.1803792 0.6155106 -0.0539548 0.6089776 -1.7062810 33 O -1.3319357 -0.1367950 -0.0354777 -0.1598525 -2.1803792 -0.6155106 -0.0539548 -0.6089776 -1.7062810 34 O -1.6322579 0.4060214 -0.4045686 0.3585999 -1.5813297 0.2790941 -0.4126633 0.3153000 -1.9339300 35 O -1.6322579 -0.4060214 -0.4045686 -0.3585999 -1.5813297 -0.2790941 -0.4126633 -0.3153000 -1.9339300 36 O -1.1822935 -0.1235342 -0.3118650 -0.1292367 -1.9025132 0.4468654 -0.2265570 0.3843896 -2.0676390 37 O -2.3068802 0.0273198 -0.4130794 0.0919071 -1.5094034 0.1948722 -0.4494946 0.2426986 -1.4222468 38 O -1.4359212 0.3378241 -0.0403322 0.3062910 -2.0953065 0.2622273 -0.0468545 0.1364244 -1.6689720 39 O -1.1822935 0.1235342 -0.3118650 0.1292367 -1.9025132 -0.4468654 -0.2265570 -0.3843896 -2.0676390 40 O -2.0711741 -0.4340045 -0.0812023 -0.4941794 -1.8737019 -0.2185207 -0.1099884 -0.2002972 -1.3024159 41 O -1.6322579 -0.4060214 -0.4045686 -0.3585999 -1.5813297 -0.2790941 -0.4126633 -0.3153000 -1.9339300 42 O -1.4359212 -0.3378241 -0.0403322 -0.3062910 -2.0953065 -0.2622273 -0.0468545 -0.1364244 -1.6689720 43 O -1.3319357 0.1367950 -0.0354777 0.1598525 -2.1803792 0.6155106 -0.0539548 0.6089776 -1.7062810 44 O -1.4359212 -0.3378241 -0.0403322 -0.3062910 -2.0953065 -0.2622273 -0.0468545 -0.1364244 -1.6689720 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 11 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 303, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 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 2.044 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.565 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.994 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.720 ( 0.000 0.000 0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.162 ( 0.000 0.000 0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.802 ( 0.000 0.000 0.000) 0.000 7.205 ( 0.000 0.000 0.000) 0.000 7.963 ( 0.000 0.000 0.000) 0.000 8.245 ( 0.000 0.000 0.000) 0.000 8.419 ( 0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 8.995 ( 0.000 0.000 0.000) 0.000 9.327 ( 0.000 0.000 0.000) 0.000 9.392 ( 0.000 0.000 0.000) 0.000 9.431 ( 0.000 0.000 0.000) 0.000 9.494 ( 0.000 0.000 0.000) 0.000 9.544 ( 0.000 0.000 0.000) 0.000 9.775 ( 0.000 0.000 0.000) 0.000 10.227 ( 0.000 0.000 0.000) 0.000 10.383 ( 0.000 0.000 0.000) 0.000 10.714 ( 0.000 0.000 0.000) 0.000 11.092 ( 0.000 0.000 0.000) 0.000 11.368 ( 0.000 0.000 0.000) 0.000 11.613 ( 0.000 0.000 0.000) 0.000 11.814 ( 0.000 0.000 0.000) 0.000 12.007 ( 0.000 0.000 0.000) 0.000 12.048 ( 0.000 0.000 0.000) 0.000 12.072 ( 0.000 0.000 0.000) 0.000 12.232 ( 0.000 0.000 0.000) 0.000 13.296 ( 0.000 0.000 0.000) 0.000 13.337 ( 0.000 0.000 0.000) 0.000 14.333 ( 0.000 0.000 0.000) 0.000 14.578 ( 0.000 0.000 0.000) 0.000 15.027 ( 0.000 0.000 0.000) 0.000 15.455 ( 0.000 0.000 0.000) 0.000 15.778 ( 0.000 0.000 0.000) 0.000 16.014 ( 0.000 0.000 0.000) 0.000 16.021 ( 0.000 0.000 0.000) 0.000 16.448 ( 0.000 0.000 0.000) 0.000 16.495 ( 0.000 0.000 0.000) 0.000 16.621 ( 0.000 0.000 0.000) 0.000 16.935 ( 0.000 0.000 0.000) 0.000 17.010 ( 0.000 0.000 0.000) 0.000 17.527 ( 0.000 0.000 0.000) 0.000 17.763 ( 0.000 0.000 0.000) 0.000 17.768 ( 0.000 0.000 0.000) 0.000 17.873 ( 0.000 0.000 0.000) 0.000 18.340 ( 0.000 0.000 0.000) 0.000 18.425 ( 0.000 0.000 0.000) 0.000 18.507 ( 0.000 0.000 0.000) 0.000 19.187 ( 0.000 0.000 0.000) 0.000 19.381 ( 0.000 0.000 0.000) 0.000 19.386 ( 0.000 0.000 0.000) 0.000 20.409 ( 0.000 0.000 0.000) 0.000 20.421 ( 0.000 0.000 0.000) 0.000 20.993 ( 0.000 0.000 0.000) 0.000 21.160 ( 0.000 0.000 0.000) 0.000 21.212 ( 0.000 0.000 0.000) 0.000 21.276 ( 0.000 0.000 0.000) 0.000 21.567 ( 0.000 0.000 0.000) 0.000 21.747 ( 0.000 0.000 0.000) 0.000 21.890 ( 0.000 0.000 0.000) 0.000 21.962 ( 0.000 0.000 0.000) 0.000 22.148 ( 0.000 0.000 0.000) 0.000 22.918 ( 0.000 0.000 0.000) 0.000 22.945 ( 0.000 0.000 0.000) 0.000 23.095 ( 0.000 0.000 0.000) 0.000 23.262 ( 0.000 0.000 0.000) 0.000 23.317 ( 0.000 0.000 0.000) 0.000 23.667 ( 0.000 0.000 0.000) 0.000 23.890 ( 0.000 0.000 0.000) 0.000 23.944 ( 0.000 0.000 0.000) 0.000 23.968 ( 0.000 0.000 0.000) 0.000 24.226 ( 0.000 0.000 0.000) 0.000 24.277 ( 0.000 0.000 0.000) 0.000 24.345 ( 0.000 0.000 0.000) 0.000 24.510 ( 0.000 0.000 0.000) 0.000 24.603 ( 0.000 0.000 0.000) 0.000 24.855 ( 0.000 0.000 0.000) 0.000 25.265 ( 0.000 0.000 0.000) 0.000 25.773 ( 0.000 0.000 0.000) 0.000 29.127 ( 0.000 0.000 0.000) 0.000 29.209 ( 0.000 0.000 0.000) 0.000 29.524 ( 0.000 0.000 0.000) 0.000 29.706 ( 0.000 0.000 0.000) 0.000 30.351 ( 0.000 0.000 0.000) 0.000 30.566 ( 0.000 0.000 0.000) 0.000 30.862 ( 0.000 0.000 0.000) 0.000 31.035 ( 0.000 0.000 0.000) 0.000 36.708 ( 0.000 0.000 0.000) 0.000 36.986 ( 0.000 0.000 0.000) 0.000 36.987 ( 0.000 0.000 0.000) 0.000 37.072 ( 0.000 0.000 0.000) 0.000 37.406 ( 0.000 0.000 0.000) 0.000 37.792 ( 0.000 0.000 0.000) 0.000 37.990 ( 0.000 0.000 0.000) 0.000 38.064 ( 0.000 0.000 0.000) 0.000 39.250 ( 0.000 0.000 0.000) 0.000 39.270 ( 0.000 0.000 0.000) 0.000 39.291 ( 0.000 0.000 0.000) 0.000 40.410 ( 0.000 0.000 0.000) 0.000 40.926 ( 0.000 0.000 0.000) 0.000 40.999 ( 0.000 0.000 0.000) 0.000 41.870 ( 0.000 0.000 0.000) 0.000 41.942 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 34.368 0.000 -6.394) 34.958 0.836 ( 28.932 0.000 31.522) 42.787 1.510 ( 59.764 0.000 35.952) 69.744 2.051 ( 1.115 0.000 -0.678) 1.305 2.190 ( 1.489 0.000 5.727) 5.917 2.472 ( -0.169 0.000 -15.703) 15.704 2.782 ( -19.607 0.000 0.291) 19.609 2.809 ( -11.928 0.000 11.708) 16.714 2.886 ( -6.410 0.000 -2.632) 6.930 3.008 ( 0.422 0.000 -2.380) 2.417 3.061 ( -5.129 0.000 -12.797) 13.786 3.226 ( 19.042 0.000 -2.887) 19.259 3.249 ( -9.058 0.000 1.460) 9.175 3.383 ( -2.276 0.000 5.364) 5.827 3.457 ( -3.008 0.000 -8.436) 8.956 3.623 ( 4.183 0.000 9.327) 10.222 3.987 ( -5.048 0.000 2.587) 5.673 4.170 ( -0.218 0.000 -0.783) 0.812 4.180 ( -6.097 0.000 4.072) 7.331 4.432 ( -2.775 0.000 -10.761) 11.113 4.630 ( 9.509 0.000 -13.614) 16.606 4.650 ( 1.492 0.000 4.421) 4.666 4.726 ( 2.416 0.000 -1.651) 2.926 5.090 ( -2.769 0.000 -3.631) 4.566 5.227 ( 3.705 0.000 5.463) 6.601 5.346 ( -0.316 0.000 11.396) 11.400 5.623 ( 9.190 0.000 9.067) 12.910 5.894 ( -14.622 0.000 -4.271) 15.233 6.218 ( -10.985 0.000 -7.446) 13.271 6.495 ( -2.294 0.000 -25.726) 25.828 6.707 ( 23.537 0.000 18.452) 29.908 6.957 ( 4.623 0.000 1.515) 4.865 6.974 ( 13.383 0.000 5.583) 14.501 7.179 ( -0.100 0.000 3.416) 3.418 7.753 ( -11.291 0.000 -10.428) 15.370 7.933 ( -20.020 0.000 -15.356) 25.231 8.550 ( 5.982 0.000 5.405) 8.063 8.577 ( -0.617 0.000 4.393) 4.436 8.967 ( 0.088 0.000 2.123) 2.124 9.266 ( -6.916 0.000 -2.478) 7.347 9.362 ( -0.492 0.000 0.049) 0.495 9.490 ( -0.283 0.000 1.330) 1.360 9.567 ( 1.219 0.000 -7.136) 7.239 9.660 ( 11.872 0.000 13.131) 17.702 9.877 ( 4.230 0.000 1.319) 4.431 10.234 ( 0.538 0.000 -1.190) 1.306 10.303 ( -16.028 0.000 -7.232) 17.584 10.473 ( -0.991 0.000 -3.304) 3.450 11.307 ( 11.057 0.000 11.408) 15.887 11.400 ( 1.897 0.000 4.579) 4.956 11.478 ( -10.995 0.000 -7.530) 13.327 11.809 ( -10.256 0.000 -7.377) 12.633 11.828 ( -4.286 0.000 -3.346) 5.438 12.001 ( 0.969 0.000 0.973) 1.373 12.357 ( 18.663 0.000 9.257) 20.833 12.416 ( 7.945 0.000 2.444) 8.312 13.194 ( -7.709 0.000 -4.943) 9.158 13.280 ( -4.766 0.000 -1.359) 4.956 14.398 ( 5.149 0.000 3.515) 6.234 14.445 ( -7.731 0.000 -7.242) 10.593 15.156 ( 8.413 0.000 5.898) 10.274 15.362 ( -5.996 0.000 -5.491) 8.130 15.821 ( 2.223 0.000 2.414) 3.281 16.030 ( 0.370 0.000 0.440) 0.575 16.306 ( -1.997 0.000 11.526) 11.698 16.368 ( -6.891 0.000 -2.302) 7.265 16.519 ( 1.529 0.000 1.585) 2.202 16.667 ( -6.003 0.000 -0.546) 6.028 16.954 ( 2.408 0.000 -0.498) 2.459 16.994 ( -2.987 0.000 3.247) 4.412 17.594 ( 5.987 0.000 1.956) 6.299 17.755 ( 0.530 0.000 0.096) 0.539 17.770 ( 0.374 0.000 1.324) 1.376 17.950 ( 1.011 0.000 -1.502) 1.810 18.417 ( 4.371 0.000 3.534) 5.621 18.484 ( -1.689 0.000 -2.365) 2.906 18.768 ( 4.843 0.000 18.391) 19.018 19.075 ( -12.493 0.000 -8.422) 15.067 19.266 ( -3.799 0.000 -5.637) 6.798 19.461 ( 4.868 0.000 -4.355) 6.532 20.398 ( -1.192 0.000 0.082) 1.195 20.412 ( -1.063 0.000 0.369) 1.125 21.009 ( -0.433 0.000 4.864) 4.883 21.043 ( -13.119 0.000 -3.879) 13.680 21.231 ( 5.842 0.000 1.837) 6.124 21.255 ( -5.369 0.000 5.070) 7.384 21.711 ( 5.973 0.000 3.726) 7.040 21.774 ( 2.083 0.000 2.547) 3.291 21.882 ( 0.692 0.000 -2.931) 3.012 22.211 ( 4.029 0.000 3.544) 5.365 22.590 ( -6.686 0.000 21.707) 22.713 22.764 ( -8.854 0.000 -8.169) 12.047 23.059 ( 4.637 0.000 5.234) 6.992 23.144 ( 2.551 0.000 1.811) 3.128 23.288 ( 2.440 0.000 2.072) 3.201 23.421 ( -0.871 0.000 10.056) 10.094 23.546 ( -6.980 0.000 -10.182) 12.345 23.769 ( -8.153 0.000 -5.877) 10.050 23.912 ( -4.480 0.000 0.763) 4.545 23.953 ( -2.142 0.000 0.943) 2.341 24.158 ( -3.478 0.000 -2.355) 4.200 24.422 ( -5.585 0.000 0.380) 5.597 24.529 ( 9.426 0.000 13.583) 16.533 24.558 ( -4.045 0.000 1.062) 4.182 25.103 ( 18.612 0.000 2.898) 18.836 25.280 ( 1.941 0.000 -0.976) 2.173 25.740 ( -0.807 0.000 -5.275) 5.336 26.132 ( 8.344 0.000 -51.887) 52.554 29.097 ( -1.282 0.000 -1.232) 1.778 29.269 ( 3.237 0.000 5.835) 6.673 29.556 ( 4.642 0.000 -11.416) 12.324 29.814 ( 8.324 0.000 3.933) 9.206 30.329 ( -1.827 0.000 -1.201) 2.187 30.587 ( 2.188 0.000 -0.049) 2.189 30.899 ( 3.580 0.000 0.138) 3.583 30.997 ( -3.759 0.000 -0.725) 3.828 36.719 ( 0.512 0.000 2.108) 2.169 36.972 ( -2.502 0.000 2.699) 3.680 37.085 ( 0.645 0.000 1.802) 1.914 37.163 ( -5.291 0.000 14.947) 15.856 37.377 ( -2.482 0.000 -3.204) 4.052 37.830 ( 1.725 0.000 3.730) 4.109 38.044 ( 3.925 0.000 2.381) 4.591 38.046 ( -1.385 0.000 -0.648) 1.529 39.249 ( -3.054 0.000 -3.302) 4.498 39.304 ( 5.185 0.000 1.251) 5.334 40.301 ( -13.069 0.000 -10.233) 16.598 40.693 ( -12.150 0.000 -0.151) 12.151 40.737 ( -18.334 0.000 28.478) 33.869 41.873 ( 1.885 0.000 -3.437) 3.919 42.148 ( 16.027 0.000 0.414) 16.032 42.791 ( -12.074 0.000 23.657) 26.560 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 33.283 0.000 -4.600) 33.599 1.479 ( 15.868 0.000 21.136) 26.430 2.029 ( -2.201 0.000 -4.980) 5.445 2.173 ( -14.409 0.000 10.534) 17.849 2.277 ( 2.569 0.000 -3.798) 4.585 2.355 ( 6.689 0.000 -15.869) 17.221 2.627 ( -13.457 0.000 11.464) 17.678 2.637 ( -10.985 0.000 -8.016) 13.599 2.766 ( -5.842 0.000 -1.442) 6.018 2.899 ( 9.017 0.000 6.463) 11.094 3.005 ( 2.715 0.000 -2.401) 3.624 3.090 ( -18.794 0.000 -7.666) 20.298 3.339 ( 20.016 0.000 7.994) 21.553 3.473 ( 4.898 0.000 -0.541) 4.928 3.603 ( 13.480 0.000 8.986) 16.201 3.752 ( 4.320 0.000 2.911) 5.209 3.895 ( -5.194 0.000 -1.268) 5.346 4.116 ( 1.191 0.000 3.072) 3.294 4.124 ( -0.600 0.000 -3.082) 3.140 4.501 ( 15.839 0.000 -10.966) 19.265 4.621 ( -4.690 0.000 0.923) 4.780 4.642 ( 3.986 0.000 -11.081) 11.776 4.874 ( -1.578 0.000 20.574) 20.634 5.136 ( 5.897 0.000 1.667) 6.128 5.319 ( 0.152 0.000 3.109) 3.113 5.537 ( 12.368 0.000 4.029) 13.008 5.612 ( -7.442 0.000 -2.191) 7.758 5.744 ( -3.559 0.000 5.436) 6.497 6.056 ( -5.989 0.000 2.021) 6.320 6.262 ( -5.301 0.000 -7.887) 9.503 6.693 ( -22.022 0.000 -11.978) 25.069 7.046 ( -1.790 0.000 -2.911) 3.417 7.105 ( -5.694 0.000 -15.426) 16.443 7.227 ( 4.771 0.000 2.166) 5.239 7.579 ( 3.779 0.000 0.801) 3.863 7.850 ( 18.494 0.000 13.910) 23.141 8.531 ( -7.449 0.000 -1.701) 7.641 8.587 ( -4.683 0.000 0.591) 4.720 9.055 ( 3.275 0.000 4.325) 5.425 9.088 ( -8.065 0.000 -6.199) 10.172 9.260 ( -5.645 0.000 -5.816) 8.105 9.515 ( -1.356 0.000 0.241) 1.377 9.549 ( 6.328 0.000 3.374) 7.171 9.836 ( 2.851 0.000 -2.112) 3.548 10.021 ( -6.367 0.000 -3.957) 7.496 10.081 ( 0.667 0.000 4.940) 4.985 10.234 ( 7.628 0.000 5.548) 9.432 10.515 ( 3.291 0.000 -0.230) 3.299 11.229 ( -6.570 0.000 -5.659) 8.671 11.491 ( -15.830 0.000 -6.394) 17.073 11.491 ( 2.815 0.000 5.727) 6.381 11.573 ( 6.618 0.000 6.341) 9.166 11.798 ( -0.203 0.000 -0.439) 0.484 12.101 ( 8.725 0.000 7.442) 11.468 12.458 ( -0.876 0.000 -7.206) 7.259 12.628 ( 2.201 0.000 -2.682) 3.469 13.028 ( -5.530 0.000 -1.112) 5.640 13.229 ( 1.259 0.000 3.522) 3.740 14.275 ( -4.867 0.000 -4.378) 6.546 14.552 ( 6.984 0.000 5.002) 8.591 15.198 ( -6.178 0.000 -5.607) 8.343 15.358 ( 7.894 0.000 5.158) 9.430 15.876 ( 2.250 0.000 1.694) 2.816 15.996 ( -3.419 0.000 -1.508) 3.736 16.191 ( -8.956 0.000 -3.548) 9.633 16.386 ( 2.027 0.000 6.379) 6.693 16.571 ( -2.104 0.000 -1.301) 2.473 16.571 ( 1.142 0.000 1.145) 1.617 16.972 ( -1.247 0.000 1.136) 1.687 17.018 ( 4.026 0.000 1.527) 4.306 17.722 ( 4.533 0.000 1.116) 4.668 17.774 ( 0.286 0.000 1.249) 1.281 17.823 ( 4.270 0.000 3.389) 5.451 17.924 ( -1.243 0.000 -1.003) 1.597 18.404 ( -3.953 0.000 -4.216) 5.779 18.459 ( -0.463 0.000 0.259) 0.531 18.675 ( -16.806 0.000 -12.498) 20.944 19.133 ( 16.070 0.000 14.524) 21.660 19.205 ( -1.025 0.000 -1.837) 2.104 19.505 ( 2.340 0.000 -3.173) 3.943 20.378 ( -0.749 0.000 0.782) 1.083 20.397 ( -0.792 0.000 0.606) 0.997 20.783 ( -10.962 0.000 -4.251) 11.758 21.047 ( 0.235 0.000 4.041) 4.048 21.184 ( -4.333 0.000 0.638) 4.380 21.351 ( 4.610 0.000 1.853) 4.969 21.819 ( 2.293 0.000 3.621) 4.286 21.874 ( 2.512 0.000 -5.917) 6.428 21.877 ( 6.021 0.000 5.620) 8.236 22.288 ( -0.358 0.000 0.983) 1.046 22.495 ( -10.167 0.000 -8.814) 13.455 22.659 ( -1.326 0.000 11.881) 11.954 23.116 ( -4.799 0.000 -5.218) 7.089 23.143 ( 1.118 0.000 1.846) 2.158 23.353 ( -3.177 0.000 -1.903) 3.703 23.380 ( 2.706 0.000 2.091) 3.420 23.584 ( 7.799 0.000 4.370) 8.939 23.596 ( -3.265 0.000 -2.925) 4.383 23.830 ( -4.295 0.000 0.941) 4.397 23.905 ( -4.060 0.000 1.102) 4.207 24.094 ( -2.031 0.000 -1.493) 2.521 24.370 ( -1.280 0.000 0.999) 1.624 24.476 ( -4.259 0.000 -1.584) 4.544 24.827 ( 9.967 0.000 15.965) 18.821 25.306 ( 1.755 0.000 -1.909) 2.594 25.404 ( 8.262 0.000 3.470) 8.961 25.707 ( 3.833 0.000 -4.821) 6.159 25.788 ( -7.272 0.000 -29.834) 30.707 29.092 ( 0.931 0.000 0.255) 0.965 29.381 ( 3.020 0.000 4.990) 5.833 29.550 ( 1.064 0.000 -2.070) 2.328 30.003 ( 8.065 0.000 2.967) 8.593 30.280 ( -1.426 0.000 -2.474) 2.855 30.631 ( 2.326 0.000 -0.158) 2.331 30.903 ( -5.234 0.000 -0.740) 5.287 30.968 ( 3.237 0.000 0.174) 3.242 36.761 ( 1.568 0.000 2.655) 3.084 36.953 ( -1.662 0.000 2.067) 2.652 37.128 ( 1.607 0.000 3.453) 3.809 37.185 ( -0.676 0.000 2.928) 3.005 37.310 ( -2.083 0.000 -1.508) 2.571 37.876 ( 0.364 0.000 1.925) 1.959 38.012 ( -2.673 0.000 0.971) 2.844 38.131 ( 3.006 0.000 1.830) 3.519 39.140 ( -4.536 0.000 -4.493) 6.384 39.434 ( 6.868 0.000 1.286) 6.987 39.853 ( -17.043 0.000 -12.872) 21.358 40.616 ( -11.653 0.000 10.525) 15.703 40.633 ( 0.042 0.000 1.793) 1.793 41.880 ( 1.939 0.000 -3.405) 3.918 42.391 ( 9.665 0.000 -0.208) 9.667 42.763 ( -5.347 0.000 8.720) 10.229 ======================= Grid point 3 (4/96) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.000 0.000 0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 -0.000) 0.000 2.126 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 -0.000) 0.000 2.388 ( 0.000 0.000 -0.000) 0.000 2.462 ( -0.000 0.000 0.000) 0.000 2.602 ( 0.000 0.000 -0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 2.766 ( -0.000 0.000 -0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.514 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 -0.000) 0.000 3.807 ( 0.000 0.000 -0.000) 0.000 3.821 ( -0.000 0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.337 ( -0.000 0.000 -0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.804 ( 0.000 0.000 -0.000) 0.000 4.812 ( -0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.578 ( 0.000 0.000 0.000) 0.000 5.645 ( 0.000 0.000 -0.000) 0.000 5.750 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.334 ( 0.000 0.000 0.000) 0.000 6.877 ( 0.000 0.000 0.000) 0.000 6.968 ( 0.000 0.000 -0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.799 ( 0.000 0.000 0.000) 0.000 8.204 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.460 ( 0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 -0.000) 0.000 9.097 ( 0.000 0.000 -0.000) 0.000 9.183 ( 0.000 0.000 -0.000) 0.000 9.506 ( 0.000 0.000 0.000) 0.000 9.720 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 9.949 ( 0.000 0.000 0.000) 0.000 9.958 ( 0.000 0.000 0.000) 0.000 10.457 ( 0.000 0.000 0.000) 0.000 10.549 ( 0.000 0.000 0.000) 0.000 11.195 ( 0.000 0.000 -0.000) 0.000 11.235 ( -0.000 0.000 0.000) 0.000 11.555 ( 0.000 0.000 0.000) 0.000 11.630 ( 0.000 0.000 -0.000) 0.000 11.798 ( 0.000 0.000 0.000) 0.000 12.385 ( 0.000 0.000 0.000) 0.000 12.385 ( 0.000 0.000 -0.000) 0.000 12.451 ( -0.000 0.000 -0.000) 0.000 12.983 ( 0.000 0.000 -0.000) 0.000 13.297 ( 0.000 0.000 0.000) 0.000 14.213 ( 0.000 0.000 0.000) 0.000 14.659 ( 0.000 0.000 0.000) 0.000 15.100 ( 0.000 0.000 0.000) 0.000 15.467 ( 0.000 0.000 0.000) 0.000 15.926 ( 0.000 0.000 0.000) 0.000 15.940 ( 0.000 0.000 -0.000) 0.000 16.060 ( 0.000 0.000 0.000) 0.000 16.444 ( 0.000 0.000 0.000) 0.000 16.527 ( 0.000 0.000 0.000) 0.000 16.602 ( 0.000 0.000 0.000) 0.000 16.967 ( 0.000 0.000 0.000) 0.000 17.079 ( 0.000 0.000 -0.000) 0.000 17.765 ( 0.000 0.000 0.000) 0.000 17.782 ( 0.000 0.000 0.000) 0.000 17.905 ( 0.000 0.000 -0.000) 0.000 17.907 ( 0.000 0.000 0.000) 0.000 18.322 ( 0.000 0.000 0.000) 0.000 18.444 ( 0.000 0.000 0.000) 0.000 18.450 ( 0.000 0.000 0.000) 0.000 19.188 ( 0.000 0.000 0.000) 0.000 19.440 ( -0.000 0.000 -0.000) 0.000 19.442 ( 0.000 0.000 0.000) 0.000 20.388 ( 0.000 0.000 0.000) 0.000 20.393 ( 0.000 0.000 0.000) 0.000 20.639 ( 0.000 0.000 0.000) 0.000 21.069 ( 0.000 0.000 0.000) 0.000 21.142 ( 0.000 0.000 -0.000) 0.000 21.403 ( 0.000 0.000 -0.000) 0.000 21.850 ( 0.000 0.000 0.000) 0.000 21.876 ( 0.000 0.000 -0.000) 0.000 22.063 ( 0.000 0.000 0.000) 0.000 22.128 ( -0.000 0.000 -0.000) 0.000 22.409 ( 0.000 0.000 0.000) 0.000 22.706 ( 0.000 0.000 0.000) 0.000 23.019 ( 0.000 0.000 -0.000) 0.000 23.155 ( 0.000 0.000 0.000) 0.000 23.329 ( 0.000 0.000 0.000) 0.000 23.375 ( 0.000 0.000 0.000) 0.000 23.606 ( 0.000 0.000 0.000) 0.000 23.708 ( 0.000 0.000 0.000) 0.000 23.792 ( 0.000 0.000 0.000) 0.000 23.849 ( 0.000 0.000 0.000) 0.000 24.067 ( 0.000 0.000 -0.000) 0.000 24.368 ( 0.000 0.000 -0.000) 0.000 24.419 ( 0.000 0.000 0.000) 0.000 25.058 ( 0.000 0.000 0.000) 0.000 25.297 ( 0.000 0.000 -0.000) 0.000 25.463 ( 0.000 0.000 -0.000) 0.000 25.535 ( 0.000 0.000 -0.000) 0.000 25.756 ( 0.000 0.000 0.000) 0.000 29.107 ( 0.000 0.000 0.000) 0.000 29.430 ( 0.000 0.000 0.000) 0.000 29.556 ( 0.000 0.000 0.000) 0.000 30.100 ( 0.000 0.000 0.000) 0.000 30.254 ( 0.000 0.000 -0.000) 0.000 30.654 ( 0.000 0.000 0.000) 0.000 30.841 ( 0.000 0.000 0.000) 0.000 31.001 ( 0.000 0.000 -0.000) 0.000 36.792 ( 0.000 0.000 0.000) 0.000 36.947 ( 0.000 0.000 0.000) 0.000 37.169 ( 0.000 0.000 0.000) 0.000 37.188 ( 0.000 0.000 -0.000) 0.000 37.286 ( 0.000 0.000 0.000) 0.000 37.887 ( 0.000 0.000 0.000) 0.000 37.976 ( 0.000 0.000 -0.000) 0.000 38.167 ( 0.000 0.000 0.000) 0.000 39.069 ( 0.000 0.000 0.000) 0.000 39.514 ( 0.000 0.000 -0.000) 0.000 39.637 ( 0.000 0.000 0.000) 0.000 40.542 ( 0.000 0.000 0.000) 0.000 40.647 ( 0.000 0.000 0.000) 0.000 41.885 ( 0.000 0.000 0.000) 0.000 42.478 ( 0.000 0.000 0.000) 0.000 42.749 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 32.335 0.000) 32.335 0.981 ( 0.000 46.880 0.000) 46.880 1.323 ( 0.000 56.686 0.000) 56.686 2.152 ( 0.000 2.539 0.000) 2.539 2.303 ( 0.000 24.703 0.000) 24.703 2.635 ( 0.000 6.437 0.000) 6.437 2.759 ( 0.000 -0.810 0.000) 0.810 2.937 ( 0.000 1.452 0.000) 1.452 2.968 ( 0.000 -3.853 0.000) 3.853 3.117 ( 0.000 5.360 0.000) 5.360 3.236 ( 0.000 5.704 0.000) 5.704 3.299 ( 0.000 8.831 0.000) 8.831 3.381 ( 0.000 12.010 0.000) 12.010 3.491 ( 0.000 1.997 0.000) 1.997 3.595 ( 0.000 19.987 0.000) 19.987 3.669 ( 0.000 24.620 0.000) 24.620 3.948 ( 0.000 -4.086 0.000) 4.086 4.274 ( 0.000 22.747 0.000) 22.747 4.465 ( 0.000 -3.327 0.000) 3.327 4.502 ( 0.000 -1.085 0.000) 1.085 4.651 ( 0.000 1.845 0.000) 1.845 4.776 ( 0.000 7.687 0.000) 7.687 5.017 ( 0.000 -9.762 0.000) 9.762 5.077 ( 0.000 3.003 0.000) 3.003 5.168 ( 0.000 2.017 0.000) 2.017 5.391 ( 0.000 14.140 0.000) 14.140 5.394 ( 0.000 0.812 0.000) 0.812 5.980 ( 0.000 -11.639 0.000) 11.639 6.178 ( 0.000 -0.102 0.000) 0.102 6.570 ( 0.000 7.265 0.000) 7.265 6.646 ( 0.000 -6.747 0.000) 6.747 6.735 ( 0.000 17.989 0.000) 17.989 6.998 ( 0.000 3.381 0.000) 3.381 7.234 ( 0.000 4.964 0.000) 4.964 8.014 ( 0.000 5.176 0.000) 5.176 8.138 ( 0.000 -6.004 0.000) 6.004 8.522 ( 0.000 3.935 0.000) 3.935 8.570 ( 0.000 4.146 0.000) 4.146 8.935 ( 0.000 -5.513 0.000) 5.513 9.219 ( 0.000 -6.624 0.000) 6.624 9.431 ( 0.000 2.456 0.000) 2.456 9.440 ( 0.000 0.569 0.000) 0.569 9.486 ( 0.000 -0.926 0.000) 0.926 9.620 ( 0.000 3.558 0.000) 3.558 9.842 ( 0.000 6.819 0.000) 6.819 10.061 ( 0.000 -10.304 0.000) 10.304 10.475 ( 0.000 3.902 0.000) 3.902 10.709 ( 0.000 -0.580 0.000) 0.580 10.991 ( 0.000 -7.616 0.000) 7.616 11.346 ( 0.000 -1.484 0.000) 1.484 11.511 ( 0.000 -7.621 0.000) 7.621 11.603 ( 0.000 -15.553 0.000) 15.553 12.086 ( 0.000 1.102 0.000) 1.102 12.186 ( 0.000 5.390 0.000) 5.390 12.200 ( 0.000 9.926 0.000) 9.926 12.276 ( 0.000 7.835 0.000) 7.835 13.187 ( 0.000 -10.306 0.000) 10.306 13.306 ( 0.000 -3.053 0.000) 3.053 14.253 ( 0.000 -7.780 0.000) 7.780 14.524 ( 0.000 -5.540 0.000) 5.540 15.039 ( 0.000 1.129 0.000) 1.129 15.470 ( 0.000 1.077 0.000) 1.077 15.743 ( 0.000 -6.432 0.000) 6.432 15.908 ( 0.000 -9.745 0.000) 9.745 16.068 ( 0.000 2.896 0.000) 2.896 16.326 ( 0.000 -10.264 0.000) 10.264 16.437 ( 0.000 -9.606 0.000) 9.606 16.703 ( 0.000 3.510 0.000) 3.510 17.006 ( 0.000 -4.501 0.000) 4.501 17.241 ( 0.000 -19.515 0.000) 19.515 17.266 ( 0.000 5.150 0.000) 5.150 17.639 ( 0.000 -20.871 0.000) 20.871 17.660 ( 0.000 -8.372 0.000) 8.372 18.100 ( 0.000 -8.291 0.000) 8.291 18.371 ( 0.000 -9.816 0.000) 9.816 18.504 ( 0.000 11.135 0.000) 11.135 18.653 ( 0.000 17.650 0.000) 17.650 19.380 ( 0.000 7.357 0.000) 7.357 19.496 ( 0.000 11.584 0.000) 11.584 19.712 ( 0.000 23.225 0.000) 23.225 20.405 ( 0.000 0.322 0.000) 0.322 20.516 ( 0.000 3.539 0.000) 3.539 20.895 ( 0.000 -7.000 0.000) 7.000 21.097 ( 0.000 -4.734 0.000) 4.734 21.271 ( 0.000 2.941 0.000) 2.941 21.318 ( 0.000 2.152 0.000) 2.152 21.567 ( 0.000 -0.245 0.000) 0.245 21.757 ( 0.000 0.494 0.000) 0.494 21.871 ( 0.000 -1.622 0.000) 1.622 21.944 ( 0.000 -1.753 0.000) 1.753 22.268 ( 0.000 -10.167 0.000) 10.167 22.770 ( 0.000 -11.712 0.000) 11.712 22.887 ( 0.000 -13.476 0.000) 13.476 23.122 ( 0.000 -10.931 0.000) 10.931 23.245 ( 0.000 9.904 0.000) 9.904 23.270 ( 0.000 -4.928 0.000) 4.928 23.398 ( 0.000 -20.102 0.000) 20.102 24.033 ( 0.000 3.814 0.000) 3.814 24.044 ( 0.000 8.437 0.000) 8.437 24.187 ( 0.000 8.975 0.000) 8.975 24.275 ( 0.000 1.728 0.000) 1.728 24.294 ( 0.000 2.749 0.000) 2.749 24.437 ( 0.000 9.162 0.000) 9.162 24.587 ( 0.000 -0.765 0.000) 0.765 24.870 ( 0.000 1.131 0.000) 1.131 25.272 ( 0.000 0.183 0.000) 0.183 25.736 ( 0.000 -3.500 0.000) 3.500 26.235 ( 0.000 -9.272 0.000) 9.272 29.191 ( 0.000 1.363 0.000) 1.363 29.269 ( 0.000 5.226 0.000) 5.226 29.563 ( 0.000 3.791 0.000) 3.791 29.736 ( 0.000 2.951 0.000) 2.951 30.373 ( 0.000 2.057 0.000) 2.057 30.580 ( 0.000 0.373 0.000) 0.373 30.886 ( 0.000 2.151 0.000) 2.151 31.013 ( 0.000 -1.940 0.000) 1.940 36.782 ( 0.000 5.536 0.000) 5.536 37.013 ( 0.000 2.957 0.000) 2.957 37.088 ( 0.000 9.358 0.000) 9.358 37.451 ( 0.000 4.321 0.000) 4.321 37.889 ( 0.000 8.717 0.000) 8.717 37.997 ( 0.000 0.748 0.000) 0.748 38.171 ( 0.000 10.022 0.000) 10.022 39.249 ( 0.000 -0.021 0.000) 0.021 39.286 ( 0.000 0.290 0.000) 0.290 39.335 ( 0.000 5.635 0.000) 5.635 39.939 ( 0.000 0.466 0.000) 0.466 40.824 ( 0.000 -6.563 0.000) 6.563 41.094 ( 0.000 6.252 0.000) 6.252 41.173 ( 0.000 -4.183 0.000) 4.183 41.872 ( 0.000 -1.599 0.000) 1.599 41.954 ( 0.000 -4.417 0.000) 4.417 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.17 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 24.121 28.422 -6.067) 37.769 1.187 ( 21.531 31.358 11.509) 39.741 1.881 ( 30.917 23.549 21.251) 44.295 2.101 ( -5.186 0.964 2.582) 5.872 2.368 ( 6.170 22.921 1.056) 23.760 2.510 ( -1.822 6.684 -7.939) 10.536 2.753 ( -5.237 -1.098 -9.126) 10.579 2.914 ( -6.874 7.232 11.997) 15.604 2.949 ( -5.539 3.990 2.721) 7.349 3.051 ( -3.999 4.012 0.636) 5.700 3.174 ( 0.258 8.186 3.186) 8.788 3.327 ( -1.068 13.811 -3.149) 14.206 3.382 ( -1.553 10.034 -10.700) 14.751 3.469 ( -3.896 6.543 -3.072) 8.211 3.602 ( 3.278 5.483 8.043) 10.271 3.699 ( 2.610 16.608 1.188) 16.854 3.938 ( 0.767 2.075 -1.572) 2.714 4.279 ( -3.030 22.658 2.353) 22.981 4.457 ( -2.109 3.012 -3.106) 4.813 4.526 ( -3.668 4.544 -3.117) 6.619 4.579 ( 0.205 -2.099 2.693) 3.421 4.652 ( 0.454 3.957 -3.477) 5.287 4.912 ( -1.095 12.733 -8.787) 15.509 5.079 ( 2.094 -1.750 1.535) 3.131 5.204 ( 3.137 0.881 3.764) 4.978 5.293 ( 1.499 -0.320 -0.200) 1.546 5.675 ( 7.231 6.919 10.534) 14.530 5.877 ( -8.651 -1.514 -5.445) 10.333 6.208 ( -7.147 -4.540 -3.893) 9.319 6.351 ( -2.242 -1.554 -5.680) 6.301 6.775 ( 7.372 -5.400 7.252) 11.666 6.929 ( 14.210 11.477 5.935) 19.206 7.025 ( -1.571 -1.525 0.772) 2.321 7.366 ( 6.230 11.467 -3.401) 13.486 7.718 ( -11.503 1.810 -6.790) 13.480 8.048 ( -8.566 7.580 -12.252) 16.762 8.521 ( -1.295 -1.368 1.241) 2.256 8.659 ( 1.778 6.003 6.285) 8.871 8.913 ( 0.249 -4.701 2.507) 5.334 9.245 ( -0.804 -4.150 -0.281) 4.236 9.280 ( -2.825 -5.476 -4.861) 7.848 9.438 ( -3.418 -2.938 2.396) 5.105 9.497 ( 1.102 0.949 2.046) 2.510 9.826 ( 0.330 -1.953 -0.911) 2.181 9.872 ( 12.839 9.716 8.768) 18.334 10.173 ( 6.515 -4.024 3.020) 8.232 10.364 ( -16.986 4.137 -8.745) 19.547 10.450 ( -4.057 -2.459 -6.172) 7.784 11.130 ( 5.354 -10.611 7.619) 14.118 11.320 ( -1.662 -3.965 -1.767) 4.648 11.503 ( -0.064 -4.855 1.642) 5.126 11.633 ( -2.971 -13.191 -1.925) 13.658 11.912 ( -8.134 6.829 -4.430) 11.507 12.088 ( -1.763 4.796 1.580) 5.349 12.386 ( 9.340 2.504 4.172) 10.532 12.505 ( 13.520 7.854 4.578) 16.292 13.082 ( -7.718 -10.146 -4.297) 13.453 13.255 ( -3.924 -3.111 -2.686) 5.683 14.316 ( 4.417 -7.575 3.466) 9.429 14.424 ( -5.925 -2.882 -5.135) 8.353 15.152 ( 8.096 -0.306 5.524) 9.805 15.366 ( -6.483 0.078 -5.880) 8.753 15.778 ( 1.468 -4.639 2.291) 5.378 15.956 ( 0.014 -11.706 3.260) 12.151 16.182 ( 6.341 0.569 6.757) 9.284 16.304 ( -2.336 -6.310 -0.972) 6.798 16.474 ( 2.591 -10.577 4.805) 11.902 16.583 ( -7.911 -1.166 -4.235) 9.049 17.023 ( -3.651 2.204 -3.725) 5.663 17.097 ( 1.267 -1.946 -1.606) 2.823 17.403 ( 4.180 -10.021 2.908) 11.241 17.600 ( 0.066 -16.648 -2.640) 16.856 17.642 ( 0.279 -12.136 1.036) 12.183 17.909 ( -12.504 -6.700 -4.908) 15.011 18.399 ( -1.242 4.851 -2.062) 5.415 18.472 ( 4.184 -0.805 1.989) 4.702 18.868 ( 11.560 13.696 12.770) 22.006 19.276 ( -6.130 10.390 -2.655) 12.352 19.536 ( -4.231 17.525 -7.649) 19.584 19.594 ( -1.237 15.851 -2.994) 16.178 20.398 ( -0.809 0.602 0.251) 1.040 20.469 ( -2.689 4.161 -1.508) 5.178 20.935 ( 0.461 -5.513 5.585) 7.862 20.975 ( -11.384 -5.558 -2.453) 12.904 21.229 ( 0.225 1.778 0.807) 1.966 21.356 ( 0.932 4.918 1.418) 5.203 21.687 ( 7.302 -1.795 2.880) 8.052 21.786 ( 1.609 0.218 3.117) 3.515 21.873 ( 1.474 -0.827 -2.664) 3.154 22.040 ( 5.345 -10.212 5.097) 12.603 22.451 ( 7.362 -7.797 7.103) 12.863 22.653 ( -6.449 -10.079 -7.066) 13.896 22.960 ( 3.220 -13.052 8.649) 15.985 23.135 ( -6.862 -6.017 -2.496) 9.461 23.143 ( 1.674 -9.123 0.545) 9.292 23.262 ( -4.969 -17.060 -3.990) 18.211 23.505 ( 8.272 4.670 9.910) 13.728 23.875 ( -7.274 5.538 -8.192) 12.276 24.007 ( -6.726 10.659 1.412) 12.683 24.114 ( -3.310 10.653 1.702) 11.284 24.234 ( -0.826 4.676 -0.585) 4.784 24.358 ( -1.492 -0.256 -0.385) 1.562 24.475 ( 3.046 -1.910 1.016) 3.736 24.617 ( -1.061 1.813 8.651) 8.902 25.009 ( 13.193 -4.045 -2.374) 14.002 25.281 ( 1.510 -0.214 -0.159) 1.533 25.718 ( 0.458 -2.120 -3.447) 4.073 26.154 ( -0.683 -3.665 -19.683) 20.033 29.117 ( -3.580 1.748 -2.016) 4.465 29.308 ( 2.524 3.774 5.728) 7.309 29.585 ( 3.454 3.214 -5.854) 7.519 29.850 ( 8.147 2.968 2.781) 9.106 30.347 ( -1.526 1.921 -2.446) 3.464 30.592 ( 1.790 0.450 -0.631) 1.951 30.916 ( 2.629 1.410 0.582) 3.040 30.986 ( -2.500 -0.871 -0.582) 2.711 36.790 ( -0.072 5.950 2.082) 6.304 36.963 ( -3.119 3.880 2.729) 5.677 37.164 ( 5.774 8.200 -1.756) 10.181 37.416 ( -2.185 4.692 -2.128) 5.596 37.881 ( -13.044 14.618 -8.335) 21.292 37.936 ( -9.246 14.854 -1.200) 17.538 38.128 ( -3.531 11.749 0.612) 12.284 38.217 ( -13.792 25.551 -1.376) 29.068 39.259 ( -2.421 1.574 -3.077) 4.220 39.313 ( 5.397 0.705 1.490) 5.643 40.248 ( -8.005 -4.118 -3.233) 9.565 40.629 ( -14.418 -4.543 2.509) 15.323 40.805 ( -16.090 4.479 16.136) 23.223 41.853 ( 16.619 -25.818 14.108) 33.790 41.907 ( 6.169 1.309 -7.212) 9.580 42.362 ( 22.976 -17.830 10.278) 30.845 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.33 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 27.282 20.719 -5.857) 34.755 1.664 ( 12.374 20.274 16.631) 28.995 2.040 ( -1.147 2.535 -0.173) 2.787 2.307 ( 9.556 3.521 -3.365) 10.725 2.364 ( 4.797 5.578 -12.409) 14.426 2.503 ( -9.664 13.329 4.425) 17.048 2.647 ( -5.196 0.269 2.398) 5.729 2.705 ( -12.932 6.869 1.721) 14.744 2.908 ( -11.602 20.776 -0.887) 23.813 3.013 ( -4.886 2.798 2.076) 6.000 3.084 ( 0.323 11.615 0.603) 11.635 3.151 ( -13.984 9.968 -8.240) 19.048 3.439 ( 8.285 -0.612 -4.823) 9.606 3.509 ( 13.722 9.474 10.481) 19.695 3.796 ( 9.731 6.915 -4.320) 12.695 3.821 ( 13.931 8.159 13.555) 21.080 3.966 ( 1.517 16.831 1.887) 17.005 4.168 ( -7.608 16.488 0.891) 18.180 4.432 ( -0.184 8.050 -0.436) 8.064 4.530 ( 12.568 3.664 -10.760) 16.945 4.625 ( -1.507 1.916 2.314) 3.361 4.756 ( 1.494 -2.397 11.501) 11.843 4.819 ( -1.467 16.901 -3.759) 17.375 5.140 ( 0.916 -0.106 -1.208) 1.520 5.291 ( 4.282 -3.065 4.478) 6.912 5.462 ( 7.301 -4.467 5.007) 9.916 5.568 ( -9.825 -1.115 -8.683) 13.159 5.771 ( -2.725 1.549 0.243) 3.144 6.017 ( -7.589 -2.344 1.518) 8.086 6.401 ( 4.206 10.508 6.699) 13.152 6.783 ( -10.127 0.077 -6.514) 12.041 6.909 ( -6.167 -2.824 -5.032) 8.446 7.026 ( -11.717 0.563 -13.994) 18.260 7.402 ( 18.251 8.116 8.378) 21.660 7.742 ( -7.503 13.738 -9.939) 18.542 7.929 ( 14.794 5.746 9.357) 18.424 8.474 ( -4.178 -2.322 -0.252) 4.786 8.641 ( -4.854 2.818 0.453) 5.631 8.995 ( 2.390 -3.145 3.910) 5.558 9.110 ( -4.793 0.517 -4.270) 6.440 9.279 ( -2.993 1.033 -1.445) 3.480 9.416 ( 0.788 -7.888 2.451) 8.297 9.562 ( 4.487 0.689 2.882) 5.377 9.766 ( -3.665 -3.684 -4.257) 6.718 10.027 ( -5.941 0.915 -4.737) 7.653 10.123 ( -10.249 -2.001 -6.803) 12.463 10.248 ( 14.079 4.665 12.429) 19.351 10.507 ( 8.284 -0.940 2.913) 8.831 11.133 ( -4.724 -5.592 -2.638) 7.781 11.303 ( -6.224 -12.465 -0.712) 13.951 11.495 ( -0.761 -3.215 -0.367) 3.324 11.539 ( -0.759 -7.037 0.677) 7.110 11.815 ( -2.232 1.840 -0.270) 2.906 12.161 ( 7.080 5.543 7.180) 11.507 12.470 ( 0.703 -0.879 -4.661) 4.795 12.667 ( -2.741 3.242 -4.428) 6.134 12.971 ( 0.129 -4.474 0.605) 4.516 13.195 ( 0.385 -3.592 1.913) 4.088 14.269 ( -4.345 -0.775 -3.368) 5.552 14.473 ( 6.146 -7.797 4.780) 11.019 15.199 ( -5.786 0.029 -5.225) 7.796 15.362 ( 8.473 0.093 5.535) 10.122 15.816 ( 1.263 -5.533 1.902) 5.986 15.940 ( -2.765 -6.491 -0.484) 7.072 16.198 ( -6.346 0.103 -3.061) 7.046 16.306 ( 1.951 -4.132 2.593) 5.254 16.431 ( -3.980 -10.112 -2.533) 11.158 16.622 ( 5.783 -2.713 8.994) 11.032 16.918 ( -2.764 2.211 -5.309) 6.381 17.156 ( 4.025 0.219 2.010) 4.504 17.478 ( 1.114 -20.961 -1.368) 21.035 17.599 ( 1.205 -14.370 0.203) 14.422 17.692 ( -5.038 -10.363 -2.229) 11.736 17.723 ( 3.467 -7.539 3.312) 8.935 18.360 ( -1.839 -4.364 -2.076) 5.171 18.475 ( -2.642 6.010 -1.788) 6.805 19.032 ( -9.967 20.615 -7.561) 24.114 19.266 ( 12.073 9.861 8.965) 17.983 19.353 ( -2.424 13.677 -1.297) 13.951 19.662 ( 4.477 14.762 -0.207) 15.427 20.392 ( 0.023 0.865 0.909) 1.255 20.417 ( -1.961 2.513 -0.211) 3.195 20.741 ( -10.167 -3.450 -4.092) 11.489 20.980 ( -0.148 -4.593 3.874) 6.010 21.220 ( -1.497 2.241 -0.144) 2.699 21.410 ( 2.973 4.175 1.510) 5.343 21.811 ( 3.858 -0.593 2.264) 4.512 21.847 ( 1.469 -1.452 1.558) 2.587 21.906 ( 5.592 1.085 -0.560) 5.724 22.165 ( 3.039 -10.888 3.885) 11.953 22.378 ( -9.636 -8.286 -7.255) 14.634 22.627 ( 2.254 -3.651 2.343) 4.889 22.857 ( -13.215 -15.750 -5.604) 21.310 23.129 ( 4.786 -19.310 3.793) 20.252 23.216 ( 1.958 -7.241 0.783) 7.542 23.247 ( 4.595 -4.107 6.435) 8.910 23.653 ( -9.199 5.906 -8.094) 13.602 23.714 ( 6.260 7.875 5.486) 11.459 23.953 ( -1.125 10.838 2.120) 11.100 24.054 ( -3.392 10.693 -0.007) 11.218 24.173 ( -2.584 7.025 -1.871) 7.715 24.376 ( 0.496 0.261 2.833) 2.888 24.461 ( -3.086 -0.107 -1.142) 3.292 24.749 ( 6.217 -7.033 11.180) 14.598 25.132 ( 3.024 -15.935 -7.015) 17.672 25.340 ( 3.336 0.883 2.002) 3.989 25.670 ( -2.980 1.870 -7.667) 8.436 25.987 ( 0.468 5.138 -10.787) 11.957 29.079 ( -0.046 -0.772 -0.231) 0.807 29.418 ( 2.941 3.441 6.268) 7.732 29.586 ( 1.209 3.431 -3.340) 4.938 30.015 ( 6.947 1.253 2.423) 7.463 30.291 ( -1.855 1.279 -3.077) 3.813 30.626 ( 2.010 -0.232 -0.422) 2.067 30.900 ( -3.682 -0.194 -0.845) 3.782 30.993 ( 2.730 2.177 0.508) 3.529 36.808 ( -0.051 5.241 1.801) 5.543 36.989 ( 1.666 3.397 7.141) 8.081 37.212 ( 2.194 8.745 -7.470) 11.709 37.371 ( -0.123 6.554 -1.580) 6.743 37.484 ( -12.229 21.435 0.259) 24.680 37.949 ( 0.866 6.253 2.363) 6.740 38.141 ( -3.384 13.949 1.602) 14.443 38.186 ( 1.803 5.388 3.898) 6.890 39.166 ( -3.574 2.764 -4.106) 6.105 39.450 ( 6.506 1.495 1.342) 6.809 39.857 ( -15.722 0.365 -12.307) 19.969 40.564 ( -3.986 -3.212 8.859) 10.232 40.653 ( -8.196 0.468 1.818) 8.409 41.946 ( 3.329 5.553 -2.600) 6.977 42.135 ( 7.437 -23.050 3.928) 24.537 42.645 ( 4.954 -9.637 4.716) 11.818 ======================= Grid point 10 (8/96) ======================= q-point: (-0.50 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 0.000 12.552 0.000) 12.552 1.931 ( 0.000 10.088 0.000) 10.088 1.932 ( -0.000 19.529 -0.000) 19.529 2.282 ( 0.000 14.797 0.000) 14.797 2.355 ( 0.000 10.894 -0.000) 10.894 2.491 ( -0.000 3.392 0.000) 3.392 2.594 ( 0.000 -7.918 -0.000) 7.918 2.634 ( -0.000 15.113 -0.000) 15.113 2.732 ( 0.000 5.914 0.000) 5.914 2.806 ( -0.000 17.542 -0.000) 17.542 3.074 ( 0.000 8.091 -0.000) 8.091 3.097 ( 0.000 6.237 -0.000) 6.237 3.476 ( 0.000 -5.579 0.000) 5.579 3.702 ( 0.000 2.152 0.000) 2.152 3.945 ( 0.000 7.966 -0.000) 7.966 3.987 ( -0.000 25.401 -0.000) 25.401 4.029 ( 0.000 18.431 0.000) 18.431 4.278 ( 0.000 11.879 0.000) 11.879 4.348 ( -0.000 0.850 -0.000) 0.850 4.506 ( 0.000 -0.887 -0.000) 0.887 4.734 ( 0.000 0.232 0.000) 0.232 4.748 ( 0.000 -2.882 0.000) 2.882 4.833 ( 0.000 24.161 0.000) 24.161 5.107 ( 0.000 -9.425 0.000) 9.425 5.369 ( 0.000 1.929 0.000) 1.929 5.395 ( 0.000 -7.981 0.000) 7.981 5.565 ( 0.000 -7.760 -0.000) 7.760 5.776 ( 0.000 4.484 0.000) 4.484 5.952 ( 0.000 -3.194 0.000) 3.194 6.522 ( 0.000 22.665 0.000) 22.665 6.601 ( 0.000 20.305 0.000) 20.305 6.687 ( 0.000 -11.660 -0.000) 11.660 6.930 ( 0.000 -4.299 0.000) 4.299 7.496 ( 0.000 16.461 0.000) 16.461 7.795 ( 0.000 0.162 0.000) 0.162 8.074 ( 0.000 -5.314 -0.000) 5.314 8.503 ( 0.000 4.391 0.000) 4.391 8.528 ( -0.000 9.082 -0.000) 9.082 8.998 ( 0.000 1.892 -0.000) 1.892 9.129 ( 0.000 0.598 0.000) 0.598 9.161 ( -0.000 -1.645 -0.000) 1.645 9.454 ( 0.000 -1.843 0.000) 1.843 9.664 ( 0.000 -5.542 0.000) 5.542 9.717 ( 0.000 -9.917 0.000) 9.917 9.901 ( 0.000 -2.299 -0.000) 2.299 9.975 ( 0.000 0.969 0.000) 0.969 10.514 ( 0.000 4.162 0.000) 4.162 10.593 ( 0.000 3.504 0.000) 3.504 11.093 ( 0.000 -8.925 0.000) 8.925 11.141 ( -0.000 -8.719 -0.000) 8.719 11.505 ( 0.000 -3.615 0.000) 3.615 11.530 ( 0.000 -8.198 -0.000) 8.198 11.802 ( 0.000 -0.513 0.000) 0.513 12.419 ( 0.000 -1.885 0.000) 1.885 12.434 ( 0.000 0.659 -0.000) 0.659 12.442 ( -0.000 4.831 -0.000) 4.831 12.982 ( 0.000 0.133 -0.000) 0.133 13.245 ( 0.000 -4.614 0.000) 4.614 14.215 ( 0.000 0.085 0.000) 0.085 14.566 ( 0.000 -9.187 0.000) 9.187 15.113 ( 0.000 1.258 0.000) 1.258 15.481 ( 0.000 1.070 0.000) 1.070 15.853 ( 0.000 -6.395 0.000) 6.395 15.892 ( 0.000 -5.114 -0.000) 5.114 16.094 ( 0.000 2.768 0.000) 2.768 16.331 ( 0.000 -7.585 0.000) 7.585 16.391 ( 0.000 -11.458 0.000) 11.458 16.754 ( 0.000 8.256 0.000) 8.256 16.839 ( 0.000 -6.031 -0.000) 6.031 17.254 ( 0.000 7.976 0.000) 7.976 17.388 ( 0.000 -33.607 -0.000) 33.607 17.646 ( -0.000 -10.325 0.000) 10.325 17.683 ( 0.000 -16.599 -0.000) 16.599 17.760 ( 0.000 -1.710 0.000) 1.710 18.325 ( 0.000 -10.534 0.000) 10.534 18.423 ( 0.000 10.027 0.000) 10.027 18.880 ( 0.000 25.223 0.000) 25.223 19.298 ( 0.000 10.366 0.000) 10.366 19.477 ( 0.000 3.747 -0.000) 3.747 19.713 ( 0.000 21.355 0.000) 21.355 20.393 ( 0.000 0.275 0.000) 0.275 20.420 ( 0.000 2.914 0.000) 2.914 20.600 ( 0.000 -3.245 0.000) 3.245 20.992 ( 0.000 -4.543 0.000) 4.543 21.202 ( 0.000 3.309 -0.000) 3.309 21.448 ( 0.000 3.315 -0.000) 3.315 21.850 ( 0.000 0.163 0.000) 0.163 21.866 ( 0.000 -0.939 -0.000) 0.939 22.071 ( 0.000 1.033 0.000) 1.033 22.080 ( -0.000 -4.735 -0.000) 4.735 22.281 ( 0.000 -11.702 0.000) 11.702 22.642 ( 0.000 -22.528 -0.000) 22.528 22.702 ( 0.000 -0.562 0.000) 0.562 23.180 ( 0.000 -18.569 0.000) 18.569 23.236 ( 0.000 -9.374 0.000) 9.374 23.418 ( 0.000 12.079 -0.000) 12.079 23.454 ( 0.000 -6.710 0.000) 6.710 23.788 ( 0.000 8.113 -0.000) 8.113 23.975 ( 0.000 13.905 -0.000) 13.905 24.013 ( 0.000 8.821 0.000) 8.821 24.141 ( 0.000 6.787 -0.000) 6.787 24.399 ( 0.000 -1.642 0.000) 1.642 24.410 ( 0.000 4.427 0.000) 4.427 24.919 ( 0.000 -11.061 0.000) 11.061 25.072 ( 0.000 -21.063 -0.000) 21.063 25.388 ( 0.000 -0.430 0.000) 0.430 25.561 ( 0.000 7.282 -0.000) 7.282 25.979 ( 0.000 6.922 -0.000) 6.922 29.083 ( 0.000 -1.818 0.000) 1.818 29.477 ( 0.000 4.339 0.000) 4.339 29.582 ( 0.000 2.535 0.000) 2.535 30.101 ( 0.000 0.109 0.000) 0.109 30.252 ( 0.000 0.516 -0.000) 0.516 30.644 ( 0.000 -0.599 0.000) 0.599 30.855 ( 0.000 1.132 0.000) 1.132 31.024 ( 0.000 2.058 -0.000) 2.058 36.814 ( 0.000 4.128 0.000) 4.128 37.104 ( 0.000 10.359 0.000) 10.359 37.126 ( -0.000 1.145 -0.000) 1.145 37.379 ( -0.000 10.902 0.000) 10.902 37.387 ( 0.000 12.763 -0.000) 12.763 37.985 ( 0.000 2.974 0.000) 2.974 38.089 ( 0.000 18.601 0.000) 18.601 38.221 ( 0.000 4.262 0.000) 4.262 39.109 ( 0.000 3.897 0.000) 3.897 39.499 ( 0.000 -0.964 0.000) 0.964 39.682 ( 0.000 3.633 0.000) 3.633 40.538 ( 0.000 -0.271 0.000) 0.271 40.603 ( 0.000 -3.763 0.000) 3.763 41.968 ( 0.000 6.952 -0.000) 6.952 42.215 ( 0.000 -22.536 0.000) 22.536 42.701 ( 0.000 -6.052 0.000) 6.052 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 32.917 0.000) 32.917 1.834 ( 0.000 34.121 0.000) 34.121 2.254 ( 0.000 33.978 0.000) 33.978 2.292 ( 0.000 11.841 0.000) 11.841 2.639 ( 0.000 10.686 0.000) 10.686 2.837 ( 0.000 0.023 0.000) 0.023 2.853 ( 0.000 9.678 0.000) 9.678 3.054 ( 0.000 8.137 0.000) 8.137 3.054 ( 0.000 18.077 0.000) 18.077 3.251 ( 0.000 7.903 0.000) 7.903 3.366 ( 0.000 1.517 0.000) 1.517 3.411 ( 0.000 9.884 0.000) 9.884 3.531 ( 0.000 9.644 0.000) 9.644 3.660 ( 0.000 13.079 0.000) 13.079 3.746 ( 0.000 -6.527 0.000) 6.527 4.188 ( 0.000 28.184 0.000) 28.184 4.347 ( 0.000 -5.766 0.000) 5.766 4.365 ( 0.000 23.010 0.000) 23.010 4.442 ( 0.000 -2.661 0.000) 2.661 4.467 ( 0.000 8.194 0.000) 8.194 4.799 ( 0.000 0.781 0.000) 0.781 4.913 ( 0.000 6.595 0.000) 6.595 5.029 ( 0.000 8.405 0.000) 8.405 5.171 ( 0.000 5.060 0.000) 5.060 5.248 ( 0.000 9.812 0.000) 9.812 5.417 ( 0.000 6.143 0.000) 6.143 5.879 ( 0.000 2.304 0.000) 2.304 5.881 ( 0.000 32.216 0.000) 32.216 6.234 ( 0.000 5.785 0.000) 5.785 6.531 ( 0.000 -4.343 0.000) 4.343 6.709 ( 0.000 5.924 0.000) 5.924 6.969 ( 0.000 -2.459 0.000) 2.459 7.077 ( 0.000 15.570 0.000) 15.570 7.392 ( 0.000 9.994 0.000) 9.994 8.159 ( 0.000 8.185 0.000) 8.185 8.175 ( 0.000 10.086 0.000) 10.086 8.534 ( 0.000 -1.865 0.000) 1.865 8.708 ( 0.000 9.861 0.000) 9.861 8.798 ( 0.000 -7.280 0.000) 7.280 9.128 ( 0.000 -1.876 0.000) 1.876 9.377 ( 0.000 -8.780 0.000) 8.780 9.459 ( 0.000 -2.742 0.000) 2.742 9.465 ( 0.000 2.020 0.000) 2.020 9.637 ( 0.000 -1.009 0.000) 1.009 9.959 ( 0.000 2.450 0.000) 2.450 10.029 ( 0.000 10.785 0.000) 10.785 10.482 ( 0.000 -3.163 0.000) 3.163 10.681 ( 0.000 -2.886 0.000) 2.886 10.905 ( 0.000 1.262 0.000) 1.262 11.280 ( 0.000 -12.231 0.000) 12.231 11.340 ( 0.000 -1.780 0.000) 1.780 11.344 ( 0.000 -9.000 0.000) 9.000 12.039 ( 0.000 -4.852 0.000) 4.852 12.160 ( 0.000 -5.444 0.000) 5.444 12.444 ( 0.000 13.432 0.000) 13.432 12.494 ( 0.000 7.449 0.000) 7.449 12.922 ( 0.000 -13.841 0.000) 13.841 13.199 ( 0.000 -8.278 0.000) 8.278 14.037 ( 0.000 -12.931 0.000) 12.931 14.341 ( 0.000 -12.900 0.000) 12.900 15.063 ( 0.000 0.886 0.000) 0.886 15.466 ( 0.000 -2.659 0.000) 2.659 15.592 ( 0.000 -8.419 0.000) 8.419 15.691 ( 0.000 -10.382 0.000) 10.382 16.050 ( 0.000 -15.778 0.000) 15.778 16.059 ( 0.000 -4.960 0.000) 4.960 16.285 ( 0.000 -4.283 0.000) 4.283 16.542 ( 0.000 -23.139 0.000) 23.139 16.841 ( 0.000 -11.466 0.000) 11.466 16.958 ( 0.000 -5.599 0.000) 5.599 17.134 ( 0.000 -16.390 0.000) 16.390 17.306 ( 0.000 -9.330 0.000) 9.330 17.591 ( 0.000 -1.820 0.000) 1.820 18.022 ( 0.000 3.742 0.000) 3.742 18.152 ( 0.000 -10.035 0.000) 10.035 18.766 ( 0.000 14.668 0.000) 14.668 19.003 ( 0.000 14.775 0.000) 14.775 19.590 ( 0.000 12.856 0.000) 12.856 19.749 ( 0.000 11.590 0.000) 11.590 20.131 ( 0.000 15.157 0.000) 15.157 20.431 ( 0.000 2.042 0.000) 2.042 20.595 ( 0.000 3.937 0.000) 3.937 20.765 ( 0.000 -5.324 0.000) 5.324 21.011 ( 0.000 -3.285 0.000) 3.285 21.279 ( 0.000 -2.139 0.000) 2.139 21.336 ( 0.000 -0.319 0.000) 0.319 21.536 ( 0.000 -3.678 0.000) 3.678 21.714 ( 0.000 -6.254 0.000) 6.254 21.818 ( 0.000 -4.618 0.000) 4.618 21.884 ( 0.000 -4.460 0.000) 4.460 22.065 ( 0.000 -8.182 0.000) 8.182 22.578 ( 0.000 -15.671 0.000) 15.671 22.589 ( 0.000 -3.242 0.000) 3.242 22.871 ( 0.000 -18.701 0.000) 18.701 22.986 ( 0.000 -11.117 0.000) 11.117 23.186 ( 0.000 -2.879 0.000) 2.879 23.412 ( 0.000 5.939 0.000) 5.939 24.065 ( 0.000 -0.065 0.000) 0.065 24.146 ( 0.000 1.618 0.000) 1.618 24.307 ( 0.000 2.050 0.000) 2.050 24.384 ( 0.000 7.463 0.000) 7.463 24.414 ( 0.000 7.661 0.000) 7.661 24.585 ( 0.000 1.724 0.000) 1.724 24.586 ( 0.000 2.246 0.000) 2.246 24.899 ( 0.000 2.539 0.000) 2.539 25.244 ( 0.000 -3.454 0.000) 3.454 25.649 ( 0.000 -4.395 0.000) 4.395 26.000 ( 0.000 -12.634 0.000) 12.634 29.241 ( 0.000 3.606 0.000) 3.606 29.403 ( 0.000 7.583 0.000) 7.583 29.662 ( 0.000 5.325 0.000) 5.325 29.826 ( 0.000 5.994 0.000) 5.994 30.429 ( 0.000 3.306 0.000) 3.306 30.607 ( 0.000 2.554 0.000) 2.554 30.937 ( 0.000 2.639 0.000) 2.639 30.972 ( 0.000 -1.800 0.000) 1.800 36.941 ( 0.000 9.690 0.000) 9.690 37.108 ( 0.000 6.133 0.000) 6.133 37.331 ( 0.000 13.756 0.000) 13.756 37.575 ( 0.000 7.704 0.000) 7.704 38.024 ( 0.000 1.990 0.000) 1.990 38.092 ( 0.000 10.020 0.000) 10.020 38.432 ( 0.000 14.975 0.000) 14.975 39.254 ( 0.000 0.710 0.000) 0.710 39.290 ( 0.000 0.257 0.000) 0.257 39.502 ( 0.000 10.262 0.000) 10.262 39.944 ( 0.000 -0.320 0.000) 0.320 40.698 ( 0.000 -5.389 0.000) 5.389 41.045 ( 0.000 -8.488 0.000) 8.488 41.241 ( 0.000 8.471 0.000) 8.471 41.704 ( 0.000 -12.277 0.000) 12.277 41.959 ( 0.000 2.596 0.000) 2.596 ======================= Grid point 15 (10/96) ======================= q-point: ( 0.17 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 19.339 30.037 2.896) 35.842 1.882 ( 7.819 30.506 0.446) 31.495 2.214 ( -0.934 12.210 -7.445) 14.331 2.365 ( 4.236 18.418 2.727) 19.094 2.564 ( -2.536 13.962 -5.266) 15.136 2.695 ( -7.059 -0.698 -7.303) 10.181 2.894 ( -3.697 12.229 4.265) 13.469 3.034 ( -0.147 6.198 0.384) 6.212 3.075 ( -0.619 7.601 2.640) 8.071 3.270 ( -5.597 9.547 3.454) 11.593 3.398 ( 2.361 13.542 7.009) 15.430 3.457 ( 2.532 5.455 1.064) 6.108 3.556 ( -2.889 2.148 -6.434) 7.372 3.642 ( 2.578 10.334 5.499) 11.986 3.759 ( 5.895 6.698 -0.892) 8.967 4.018 ( -9.922 21.978 -1.056) 24.137 4.383 ( 2.186 15.024 1.044) 15.218 4.407 ( -2.418 5.432 0.851) 6.006 4.474 ( 8.222 0.748 2.214) 8.548 4.606 ( -2.791 6.437 -0.504) 7.034 4.646 ( 3.585 7.068 0.132) 7.926 4.916 ( 0.091 9.820 0.511) 9.834 5.079 ( -6.628 7.319 4.614) 10.899 5.116 ( 7.573 5.918 2.907) 10.041 5.369 ( 4.790 17.845 -4.415) 18.996 5.390 ( -2.488 7.830 -7.649) 11.225 5.861 ( 3.294 0.689 -1.373) 3.634 5.956 ( -0.508 20.554 4.619) 21.073 6.193 ( -3.996 7.904 4.181) 9.794 6.443 ( -12.380 9.201 -8.281) 17.507 6.636 ( 5.611 -6.620 4.068) 9.584 6.912 ( -4.322 -5.381 -5.175) 8.626 7.244 ( 13.567 15.137 9.307) 22.356 7.569 ( 6.708 10.471 -2.683) 12.722 7.860 ( -10.084 10.533 -2.910) 14.869 8.180 ( -5.382 3.275 -11.659) 13.252 8.528 ( 1.320 4.584 1.481) 4.995 8.754 ( -1.545 -0.900 -4.168) 4.535 8.846 ( 3.637 2.721 11.308) 12.186 9.141 ( 3.058 -2.472 -1.496) 4.207 9.203 ( -6.970 -4.563 -3.477) 9.028 9.415 ( -6.021 -0.383 0.030) 6.034 9.539 ( 1.468 3.549 2.537) 4.603 9.732 ( 3.828 -6.810 6.703) 10.294 10.047 ( 8.324 6.988 5.484) 12.173 10.148 ( 5.587 2.823 1.664) 6.477 10.384 ( -4.882 -3.184 -6.137) 8.463 10.447 ( -13.832 3.488 -9.519) 17.149 10.996 ( 4.428 -2.114 6.025) 7.770 11.269 ( -5.129 -1.759 -4.628) 7.129 11.294 ( 1.102 -13.205 2.381) 13.463 11.372 ( -0.482 -11.092 -1.061) 11.153 11.999 ( -7.645 -0.067 -4.452) 8.847 12.107 ( 2.801 -3.448 3.413) 5.602 12.472 ( 0.696 5.660 2.163) 6.099 12.677 ( 10.302 5.612 3.968) 12.384 12.822 ( -4.730 -12.633 -3.523) 13.941 13.150 ( -3.189 -7.027 -4.009) 8.696 14.101 ( 4.268 -13.460 4.413) 14.794 14.301 ( -3.140 -9.929 -1.660) 10.545 15.138 ( 6.454 -1.329 4.011) 7.714 15.344 ( -6.801 -2.869 -6.258) 9.677 15.641 ( 3.421 -9.809 4.415) 11.288 15.724 ( -0.846 -8.044 1.885) 8.305 16.091 ( 4.499 -14.309 2.428) 15.195 16.189 ( 7.533 -5.316 6.208) 11.115 16.236 ( -3.536 -10.538 -2.896) 11.486 16.464 ( -5.838 -12.387 -4.019) 14.271 16.868 ( 3.186 -14.313 1.410) 14.730 16.912 ( -3.616 -10.309 -3.447) 11.456 17.225 ( 3.415 -13.617 3.348) 14.432 17.339 ( 6.554 -5.826 3.294) 9.367 17.518 ( -4.785 -1.772 -3.857) 6.396 17.690 ( -14.107 -8.865 -11.258) 20.108 18.461 ( 9.475 3.476 7.550) 12.604 18.616 ( -5.615 11.697 -6.493) 14.509 19.175 ( 9.503 14.801 9.752) 20.111 19.518 ( -4.929 13.456 -2.138) 14.489 19.804 ( 4.767 11.344 0.672) 12.323 19.968 ( -10.897 14.388 -8.986) 20.162 20.423 ( -0.827 1.690 0.278) 1.902 20.560 ( -2.193 4.723 -2.257) 5.676 20.828 ( 0.162 -4.536 5.015) 6.764 20.877 ( -8.207 -3.440 -1.826) 9.085 21.253 ( -0.372 -0.011 -0.215) 0.430 21.392 ( 3.397 -1.785 -0.737) 3.908 21.629 ( 7.714 -5.216 1.494) 9.431 21.724 ( 0.083 -8.045 2.927) 8.561 21.838 ( 1.800 -3.141 0.957) 3.745 21.889 ( 3.158 -4.061 -1.670) 5.409 22.301 ( 14.146 -8.097 10.003) 19.124 22.490 ( -7.436 -2.814 -5.666) 9.763 22.629 ( 2.660 -16.879 4.637) 17.706 22.778 ( -10.463 -21.950 -5.488) 24.928 23.002 ( 4.117 -4.902 2.534) 6.885 23.062 ( -4.757 -3.866 -4.826) 7.802 23.602 ( 10.266 3.524 8.602) 13.849 23.960 ( -5.247 2.715 -7.457) 9.514 24.154 ( -4.299 -0.032 2.469) 4.958 24.289 ( 0.672 8.195 6.484) 10.472 24.373 ( -3.053 6.958 -5.585) 9.429 24.435 ( -0.312 5.754 -4.728) 7.454 24.483 ( 1.343 4.108 0.291) 4.332 24.604 ( -5.493 -3.133 7.101) 9.509 24.940 ( 2.033 -3.831 -5.500) 7.004 25.267 ( 2.463 -1.205 4.836) 5.559 25.660 ( 2.245 -3.294 -0.625) 4.035 25.993 ( 0.044 -10.352 -4.735) 11.383 29.175 ( -4.974 4.199 -2.523) 6.981 29.412 ( 0.889 6.249 5.223) 8.192 29.674 ( 2.188 4.975 -3.042) 6.228 29.928 ( 7.181 4.629 1.866) 8.745 30.404 ( -1.420 3.640 -2.617) 4.703 30.617 ( 1.349 2.336 -0.738) 2.797 30.932 ( -0.976 -0.124 -0.199) 1.004 30.989 ( 2.039 1.452 0.516) 2.556 36.954 ( 0.075 9.825 2.553) 10.152 37.077 ( -2.516 6.865 1.045) 7.386 37.382 ( 5.408 12.328 -2.659) 13.722 37.548 ( -0.586 8.128 -3.306) 8.794 38.016 ( -1.346 4.101 -3.869) 5.797 38.111 ( -1.645 8.078 7.378) 11.063 38.409 ( -2.691 15.874 0.428) 16.106 38.822 ( -27.448 23.128 -12.100) 37.878 39.323 ( 0.905 1.839 -0.835) 2.213 39.343 ( 2.990 5.918 0.607) 6.658 40.170 ( -1.940 -3.334 1.178) 4.033 40.523 ( -11.095 -5.499 -0.819) 12.410 40.900 ( -17.960 4.621 8.872) 20.558 41.359 ( 14.236 -19.978 4.933) 25.023 41.951 ( 9.180 0.156 -1.528) 9.307 42.114 ( 19.381 -8.039 2.471) 21.127 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.33 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 17.186 29.385 -2.664) 34.146 2.111 ( 1.625 4.360 3.741) 5.970 2.210 ( 13.940 27.090 5.835) 31.020 2.455 ( 5.844 9.612 -0.968) 11.291 2.491 ( -2.743 -2.172 -8.155) 8.874 2.531 ( -0.787 12.285 -4.502) 13.108 2.845 ( -5.456 15.033 -1.074) 16.028 2.966 ( -7.344 1.706 2.651) 7.992 3.034 ( -6.041 15.585 0.720) 16.730 3.171 ( -6.366 7.035 1.364) 9.585 3.297 ( -8.781 5.269 0.428) 10.250 3.416 ( -1.442 5.720 -3.039) 6.636 3.616 ( -2.546 14.459 -2.493) 14.892 3.711 ( 2.803 10.222 3.043) 11.027 3.948 ( 10.640 11.013 0.668) 15.328 3.988 ( 9.726 10.791 6.316) 15.841 4.310 ( -5.032 -2.630 3.423) 6.630 4.475 ( 2.860 21.768 4.340) 22.380 4.554 ( 0.952 -0.600 -4.496) 4.635 4.568 ( -0.441 6.745 1.330) 6.889 4.817 ( 5.895 13.917 5.344) 16.031 4.898 ( 0.125 23.695 0.063) 23.696 5.085 ( -1.712 0.379 -1.588) 2.366 5.197 ( 2.052 -1.152 -0.248) 2.366 5.329 ( 3.845 -1.765 1.140) 4.381 5.472 ( 6.040 19.591 -0.507) 20.507 5.730 ( -13.181 20.629 -11.660) 27.115 5.862 ( -3.584 11.566 0.636) 12.126 6.045 ( -4.629 5.727 1.381) 7.492 6.576 ( 6.562 3.442 8.600) 11.352 6.635 ( -2.259 -3.673 -1.800) 4.673 6.863 ( 2.554 -4.322 1.289) 5.183 7.295 ( -14.900 20.122 -13.476) 28.435 7.599 ( 14.710 12.457 7.066) 20.531 7.889 ( -6.512 -1.872 -7.005) 9.745 8.078 ( 9.064 9.310 5.913) 14.276 8.547 ( 1.683 10.785 -0.896) 10.953 8.663 ( -3.524 0.010 -2.294) 4.205 8.982 ( 4.982 1.070 5.623) 7.588 9.086 ( -4.620 -2.720 -2.258) 5.817 9.263 ( -1.324 -5.109 2.970) 6.056 9.310 ( 3.239 2.823 3.760) 5.709 9.545 ( -2.543 -3.389 -2.739) 5.045 9.761 ( -4.320 3.704 -1.173) 5.810 10.041 ( -7.599 -0.184 -5.088) 9.147 10.081 ( -10.332 1.243 -9.422) 14.038 10.343 ( 11.730 2.713 11.162) 16.418 10.487 ( 9.460 -0.341 2.884) 9.896 11.038 ( -5.828 -11.306 -0.404) 12.726 11.085 ( -7.687 -1.140 -4.707) 9.085 11.335 ( 1.176 -11.082 0.513) 11.156 11.385 ( 3.576 -5.540 1.075) 6.681 11.833 ( -5.994 -1.222 -3.434) 7.015 12.222 ( 4.900 -2.213 5.652) 7.801 12.427 ( -3.634 -3.139 -5.353) 7.191 12.630 ( -5.953 -7.356 -1.613) 9.600 12.962 ( 6.974 4.396 1.813) 8.441 13.081 ( 0.580 -7.389 -0.178) 7.414 14.210 ( 0.927 -9.041 1.787) 9.262 14.245 ( 0.754 -11.654 1.423) 11.765 15.198 ( -3.698 -0.263 -3.663) 5.212 15.341 ( 9.587 -2.901 6.212) 11.786 15.678 ( -1.797 -8.151 0.495) 8.361 15.753 ( 1.487 -9.878 3.342) 10.533 16.114 ( -4.168 -11.984 -3.526) 13.169 16.175 ( 1.253 -10.177 -0.071) 10.254 16.250 ( -5.349 -5.831 -3.749) 8.756 16.467 ( 7.690 -14.253 7.261) 17.748 16.786 ( -4.023 -13.933 -4.855) 15.293 16.949 ( 1.708 -9.798 0.879) 9.985 17.268 ( -1.355 -9.815 -1.386) 10.005 17.397 ( -2.723 -9.589 -1.705) 10.113 17.458 ( -2.734 -6.112 -3.137) 7.394 17.586 ( 12.267 -3.320 8.361) 15.212 18.329 ( -11.107 2.661 -9.321) 14.742 18.686 ( 3.121 13.887 3.046) 14.555 19.356 ( -1.497 12.843 -1.787) 13.052 19.477 ( 5.236 11.230 4.075) 13.044 19.667 ( -8.995 13.779 -5.577) 17.374 19.984 ( 8.885 13.804 4.972) 17.153 20.415 ( -0.015 1.458 0.140) 1.465 20.494 ( -3.002 4.739 -0.527) 5.634 20.671 ( -8.036 -3.090 -3.852) 9.432 20.905 ( 0.590 -2.465 3.334) 4.188 21.250 ( 0.018 0.458 -0.219) 0.508 21.447 ( 2.742 -1.695 0.157) 3.228 21.758 ( 4.548 -7.766 1.801) 9.178 21.785 ( 4.475 -6.959 1.532) 8.415 21.897 ( 3.403 -2.946 1.787) 4.843 21.940 ( 2.541 -6.459 -0.102) 6.942 22.266 ( -9.432 -0.679 -6.582) 11.522 22.441 ( -13.640 -16.343 -10.349) 23.670 22.610 ( 6.192 -7.918 7.693) 12.657 22.715 ( 2.041 -17.658 3.487) 18.114 22.995 ( 0.036 -8.967 -0.242) 8.970 23.182 ( 9.513 -3.019 6.957) 12.166 23.753 ( -6.670 3.182 -6.534) 9.865 23.850 ( 6.246 4.400 3.971) 8.611 24.125 ( -0.999 3.503 3.341) 4.943 24.237 ( -4.683 3.974 -6.122) 8.671 24.338 ( -1.510 7.468 0.350) 7.627 24.403 ( 0.804 5.844 4.428) 7.376 24.523 ( -2.607 3.698 2.679) 5.258 24.597 ( 3.683 -3.968 1.387) 5.588 24.849 ( -4.933 -11.957 -6.846) 14.635 25.368 ( 2.616 1.126 3.556) 4.556 25.706 ( 1.794 0.338 -1.029) 2.096 25.938 ( 0.005 -7.952 -4.130) 8.961 29.089 ( -2.200 2.413 -1.230) 3.490 29.507 ( 2.549 5.044 7.771) 9.608 29.675 ( 1.336 4.840 -5.008) 7.092 30.050 ( 4.419 1.887 1.559) 5.051 30.346 ( -1.960 4.519 -3.156) 5.850 30.637 ( 1.338 1.689 -0.677) 2.259 30.901 ( -1.566 0.434 -0.656) 1.752 31.042 ( 2.537 2.356 0.761) 3.544 36.960 ( -1.313 8.995 1.119) 9.159 37.097 ( 2.085 7.028 6.435) 9.754 37.389 ( -0.672 8.527 -8.692) 12.195 37.567 ( 6.124 11.198 -3.686) 13.284 37.849 ( -12.224 13.742 -0.944) 18.416 38.124 ( -1.813 8.251 3.577) 9.174 38.359 ( -1.407 15.342 0.689) 15.422 38.550 ( -4.051 22.279 4.982) 23.186 39.252 ( -2.158 5.349 -3.418) 6.705 39.498 ( 5.808 3.839 1.569) 7.137 39.866 ( -13.141 0.453 -11.195) 17.269 40.493 ( -1.022 -4.048 7.021) 8.169 40.666 ( -11.811 1.346 0.414) 11.895 41.606 ( 7.349 -26.482 4.240) 27.808 42.062 ( 5.365 5.080 -1.135) 7.475 42.420 ( 9.949 -11.842 2.023) 15.598 ======================= Grid point 17 (12/96) ======================= q-point: (-0.50 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 0.000 23.413 -0.000) 23.413 2.118 ( 0.000 7.493 0.000) 7.493 2.397 ( 0.000 -0.125 0.000) 0.125 2.441 ( 0.000 20.516 0.000) 20.516 2.559 ( -0.000 5.244 0.000) 5.244 2.628 ( 0.000 15.926 0.000) 15.926 2.659 ( -0.000 15.210 -0.000) 15.210 2.849 ( 0.000 10.132 -0.000) 10.132 2.956 ( 0.000 19.870 0.000) 19.870 3.111 ( 0.000 5.749 0.000) 5.749 3.212 ( 0.000 4.049 0.000) 4.049 3.447 ( -0.000 5.179 -0.000) 5.179 3.492 ( 0.000 22.391 0.000) 22.391 3.756 ( 0.000 5.311 0.000) 5.311 4.051 ( 0.000 5.305 0.000) 5.305 4.261 ( -0.000 1.762 -0.000) 1.762 4.320 ( 0.000 -1.333 0.000) 1.333 4.390 ( -0.000 -2.975 -0.000) 2.975 4.549 ( -0.000 13.364 0.000) 13.364 4.589 ( 0.000 11.888 0.000) 11.888 4.910 ( 0.000 21.352 0.000) 21.352 4.917 ( -0.000 23.721 -0.000) 23.721 4.985 ( -0.000 3.479 -0.000) 3.479 5.226 ( -0.000 -5.851 0.000) 5.851 5.363 ( 0.000 -4.546 0.000) 4.546 5.459 ( 0.000 4.664 -0.000) 4.664 5.614 ( 0.000 39.149 -0.000) 39.149 5.953 ( 0.000 3.669 0.000) 3.669 5.957 ( 0.000 12.592 -0.000) 12.592 6.466 ( 0.000 -10.338 -0.000) 10.338 6.852 ( 0.000 6.797 0.000) 6.797 6.857 ( -0.000 -0.200 -0.000) 0.200 7.058 ( 0.000 23.294 0.000) 23.294 7.697 ( 0.000 1.892 0.000) 1.892 7.854 ( 0.000 7.125 0.000) 7.125 8.168 ( 0.000 15.938 -0.000) 15.938 8.618 ( 0.000 -0.460 0.000) 0.460 8.648 ( 0.000 10.351 0.000) 10.351 8.995 ( 0.000 -6.503 -0.000) 6.503 9.128 ( 0.000 6.217 0.000) 6.217 9.144 ( -0.000 0.127 -0.000) 0.127 9.445 ( 0.000 -12.283 0.000) 12.283 9.532 ( 0.000 -5.591 -0.000) 5.591 9.592 ( 0.000 10.950 0.000) 10.950 9.913 ( 0.000 3.467 0.000) 3.467 9.985 ( 0.000 -0.128 0.000) 0.128 10.559 ( 0.000 -1.094 0.000) 1.094 10.620 ( 0.000 -3.235 -0.000) 3.235 10.942 ( -0.000 -2.451 -0.000) 2.451 10.946 ( 0.000 -8.455 0.000) 8.455 11.344 ( 0.000 -9.593 -0.000) 9.593 11.439 ( 0.000 -2.835 -0.000) 2.835 11.760 ( 0.000 -3.363 0.000) 3.363 12.324 ( 0.000 -7.042 0.000) 7.042 12.362 ( 0.000 -9.162 -0.000) 9.162 12.533 ( 0.000 2.998 -0.000) 2.998 12.999 ( 0.000 1.730 -0.000) 1.730 13.130 ( 0.000 -6.863 0.000) 6.863 14.197 ( 0.000 -2.853 0.000) 2.853 14.293 ( 0.000 -17.513 0.000) 17.513 15.151 ( 0.000 2.400 0.000) 2.400 15.488 ( 0.000 -1.337 0.000) 1.337 15.702 ( -0.000 -8.078 -0.000) 8.078 15.718 ( 0.000 -11.847 0.000) 11.847 16.093 ( -0.000 -8.335 -0.000) 8.335 16.114 ( 0.000 -14.385 0.000) 14.385 16.199 ( 0.000 -1.797 0.000) 1.797 16.602 ( 0.000 -29.714 0.000) 29.714 16.726 ( 0.000 -5.901 -0.000) 5.901 16.943 ( 0.000 -4.296 -0.000) 4.296 17.206 ( 0.000 -14.025 0.000) 14.025 17.425 ( -0.000 -7.436 -0.000) 7.436 17.427 ( 0.000 -8.432 0.000) 8.432 17.819 ( 0.000 8.316 0.000) 8.316 18.099 ( 0.000 -9.588 -0.000) 9.588 18.719 ( 0.000 18.567 0.000) 18.567 19.292 ( 0.000 15.539 -0.000) 15.539 19.542 ( 0.000 11.346 0.000) 11.346 19.593 ( 0.000 7.683 -0.000) 7.683 20.127 ( 0.000 16.859 0.000) 16.859 20.411 ( 0.000 1.733 0.000) 1.733 20.496 ( 0.000 4.117 0.000) 4.117 20.532 ( 0.000 -3.082 0.000) 3.082 20.921 ( 0.000 -2.214 0.000) 2.214 21.249 ( 0.000 1.118 -0.000) 1.118 21.475 ( 0.000 -1.804 0.000) 1.804 21.829 ( 0.000 -6.057 0.000) 6.057 21.840 ( 0.000 -2.001 -0.000) 2.001 21.965 ( 0.000 -5.929 0.000) 5.929 21.977 ( 0.000 -14.536 0.000) 14.536 22.112 ( 0.000 1.851 0.000) 1.851 22.210 ( 0.000 -17.500 -0.000) 17.500 22.693 ( 0.000 -1.786 0.000) 1.786 22.750 ( 0.000 -18.926 0.000) 18.926 23.016 ( 0.000 -10.684 0.000) 10.684 23.352 ( 0.000 -3.381 0.000) 3.381 23.597 ( 0.000 5.641 0.000) 5.641 23.946 ( 0.000 5.162 -0.000) 5.162 24.138 ( 0.000 3.782 -0.000) 3.782 24.158 ( 0.000 0.835 0.000) 0.835 24.316 ( 0.000 7.333 -0.000) 7.333 24.440 ( 0.000 9.862 0.000) 9.862 24.515 ( 0.000 1.800 0.000) 1.800 24.695 ( 0.000 -9.462 0.000) 9.462 24.702 ( -0.000 -10.982 -0.000) 10.982 25.405 ( 0.000 0.875 -0.000) 0.875 25.698 ( 0.000 5.551 0.000) 5.551 25.939 ( 0.000 -9.814 -0.000) 9.814 29.067 ( 0.000 1.118 0.000) 1.118 29.583 ( 0.000 5.546 0.000) 5.546 29.651 ( 0.000 3.960 0.000) 3.960 30.101 ( 0.000 -0.260 0.000) 0.260 30.308 ( 0.000 5.493 0.000) 5.493 30.648 ( 0.000 1.308 0.000) 1.308 30.881 ( 0.000 1.486 0.000) 1.486 31.071 ( 0.000 2.323 0.000) 2.323 36.949 ( 0.000 8.222 -0.000) 8.222 37.198 ( 0.000 5.249 0.000) 5.249 37.290 ( 0.000 9.205 -0.000) 9.205 37.629 ( -0.000 10.278 0.000) 10.278 37.711 ( 0.000 19.085 -0.000) 19.085 38.121 ( 0.000 7.827 0.000) 7.827 38.359 ( 0.000 11.958 0.000) 11.958 38.553 ( 0.000 24.891 0.000) 24.891 39.220 ( 0.000 6.840 0.000) 6.840 39.489 ( 0.000 0.078 0.000) 0.078 39.760 ( 0.000 3.796 0.000) 3.796 40.519 ( 0.000 -4.156 -0.000) 4.156 40.538 ( -0.000 0.411 0.000) 0.411 41.688 ( 0.000 -27.387 -0.000) 27.387 42.109 ( 0.000 6.160 0.000) 6.160 42.513 ( 0.000 -11.479 0.000) 11.479 ======================= Grid point 21 (13/96) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 0.000 27.991 0.000) 27.991 2.229 ( 0.000 12.515 0.000) 12.515 2.453 ( 0.000 -3.228 0.000) 3.228 2.714 ( 0.000 21.717 0.000) 21.717 2.842 ( 0.000 1.591 0.000) 1.591 3.008 ( 0.000 6.618 0.000) 6.618 3.149 ( 0.000 26.124 0.000) 26.124 3.151 ( 0.000 0.032 0.000) 0.032 3.302 ( 0.000 5.439 0.000) 5.439 3.376 ( 0.000 9.627 0.000) 9.627 3.537 ( 0.000 8.909 0.000) 8.909 3.580 ( 0.000 11.314 0.000) 11.314 3.605 ( 0.000 -1.958 0.000) 1.958 3.832 ( 0.000 11.011 0.000) 11.011 3.920 ( 0.000 10.599 0.000) 10.599 4.224 ( 0.000 -11.164 0.000) 11.164 4.278 ( 0.000 -0.906 0.000) 0.906 4.480 ( 0.000 12.030 0.000) 12.030 4.688 ( 0.000 18.122 0.000) 18.122 4.876 ( 0.000 8.161 0.000) 8.161 4.919 ( 0.000 9.873 0.000) 9.873 5.006 ( 0.000 -3.002 0.000) 3.002 5.108 ( 0.000 4.711 0.000) 4.711 5.301 ( 0.000 13.988 0.000) 13.988 5.330 ( 0.000 0.855 0.000) 0.855 5.806 ( 0.000 20.596 0.000) 20.596 6.029 ( 0.000 10.773 0.000) 10.773 6.145 ( 0.000 -5.337 0.000) 5.337 6.477 ( 0.000 1.038 0.000) 1.038 6.680 ( 0.000 28.282 0.000) 28.282 6.805 ( 0.000 3.917 0.000) 3.917 7.020 ( 0.000 8.755 0.000) 8.755 7.399 ( 0.000 17.314 0.000) 17.314 7.737 ( 0.000 23.972 0.000) 23.972 8.300 ( 0.000 5.216 0.000) 5.216 8.378 ( 0.000 2.958 0.000) 2.958 8.567 ( 0.000 6.409 0.000) 6.409 8.688 ( 0.000 0.255 0.000) 0.255 8.965 ( 0.000 13.807 0.000) 13.807 9.127 ( 0.000 0.748 0.000) 0.748 9.204 ( 0.000 -0.713 0.000) 0.713 9.389 ( 0.000 -2.881 0.000) 2.881 9.491 ( 0.000 0.268 0.000) 0.268 9.673 ( 0.000 6.864 0.000) 6.864 10.115 ( 0.000 10.818 0.000) 10.818 10.256 ( 0.000 11.338 0.000) 11.338 10.418 ( 0.000 -0.791 0.000) 0.791 10.570 ( 0.000 -7.115 0.000) 7.115 11.021 ( 0.000 5.086 0.000) 5.086 11.079 ( 0.000 -6.847 0.000) 6.847 11.154 ( 0.000 -6.273 0.000) 6.273 11.323 ( 0.000 -1.600 0.000) 1.600 11.958 ( 0.000 -1.722 0.000) 1.722 11.987 ( 0.000 -11.282 0.000) 11.282 12.365 ( 0.000 -18.581 0.000) 18.581 12.708 ( 0.000 11.568 0.000) 11.568 12.783 ( 0.000 -1.678 0.000) 1.678 12.943 ( 0.000 -17.418 0.000) 17.418 13.751 ( 0.000 -15.136 0.000) 15.136 14.003 ( 0.000 -19.984 0.000) 19.984 15.070 ( 0.000 0.023 0.000) 0.023 15.306 ( 0.000 -13.380 0.000) 13.380 15.407 ( 0.000 -10.104 0.000) 10.104 15.496 ( 0.000 -11.356 0.000) 11.356 15.754 ( 0.000 -12.737 0.000) 12.737 15.872 ( 0.000 -12.613 0.000) 12.613 16.022 ( 0.000 -21.128 0.000) 21.128 16.251 ( 0.000 0.198 0.000) 0.198 16.489 ( 0.000 -22.000 0.000) 22.000 16.863 ( 0.000 -5.883 0.000) 5.883 16.894 ( 0.000 -5.027 0.000) 5.027 17.195 ( 0.000 -3.659 0.000) 3.659 17.500 ( 0.000 -4.579 0.000) 4.579 18.013 ( 0.000 -3.666 0.000) 3.666 18.211 ( 0.000 11.748 0.000) 11.748 19.085 ( 0.000 16.420 0.000) 16.420 19.200 ( 0.000 3.657 0.000) 3.657 19.860 ( 0.000 12.449 0.000) 12.449 19.920 ( 0.000 5.314 0.000) 5.314 20.250 ( 0.000 -3.499 0.000) 3.499 20.478 ( 0.000 2.331 0.000) 2.331 20.667 ( 0.000 2.934 0.000) 2.934 20.689 ( 0.000 -2.433 0.000) 2.433 20.986 ( 0.000 1.596 0.000) 1.596 21.190 ( 0.000 -8.214 0.000) 8.214 21.301 ( 0.000 -3.491 0.000) 3.491 21.386 ( 0.000 -8.208 0.000) 8.208 21.559 ( 0.000 -7.574 0.000) 7.574 21.671 ( 0.000 -7.705 0.000) 7.705 21.767 ( 0.000 -6.138 0.000) 6.138 21.982 ( 0.000 -1.119 0.000) 1.119 22.294 ( 0.000 -11.678 0.000) 11.678 22.464 ( 0.000 -16.693 0.000) 16.693 22.652 ( 0.000 5.990 0.000) 5.990 22.934 ( 0.000 3.380 0.000) 3.380 23.200 ( 0.000 3.902 0.000) 3.902 23.497 ( 0.000 3.007 0.000) 3.007 24.055 ( 0.000 -0.688 0.000) 0.688 24.151 ( 0.000 -0.238 0.000) 0.238 24.340 ( 0.000 0.597 0.000) 0.597 24.401 ( 0.000 -4.638 0.000) 4.638 24.492 ( 0.000 -9.069 0.000) 9.069 24.553 ( 0.000 4.848 0.000) 4.848 24.637 ( 0.000 -0.135 0.000) 0.135 24.986 ( 0.000 5.137 0.000) 5.137 25.157 ( 0.000 -3.231 0.000) 3.231 25.579 ( 0.000 -2.550 0.000) 2.550 25.774 ( 0.000 -9.131 0.000) 9.131 29.340 ( 0.000 6.155 0.000) 6.155 29.562 ( 0.000 7.941 0.000) 7.941 29.750 ( 0.000 3.019 0.000) 3.019 29.962 ( 0.000 6.397 0.000) 6.397 30.505 ( 0.000 4.472 0.000) 4.472 30.684 ( 0.000 4.957 0.000) 4.957 30.952 ( 0.000 -0.081 0.000) 0.081 30.980 ( 0.000 1.335 0.000) 1.335 37.147 ( 0.000 9.959 0.000) 9.959 37.243 ( 0.000 6.645 0.000) 6.645 37.608 ( 0.000 12.905 0.000) 12.905 37.749 ( 0.000 9.152 0.000) 9.152 38.083 ( 0.000 3.947 0.000) 3.947 38.255 ( 0.000 5.702 0.000) 5.702 38.762 ( 0.000 17.338 0.000) 17.338 39.282 ( 0.000 2.022 0.000) 2.022 39.302 ( 0.000 1.146 0.000) 1.146 39.709 ( 0.000 9.119 0.000) 9.119 39.915 ( 0.000 -2.728 0.000) 2.728 40.631 ( 0.000 -0.686 0.000) 0.686 40.833 ( 0.000 -12.312 0.000) 12.312 41.438 ( 0.000 -13.347 0.000) 13.347 41.439 ( 0.000 10.934 0.000) 10.934 42.013 ( 0.000 2.298 0.000) 2.298 ======================= Grid point 22 (14/96) ======================= q-point: ( 0.17 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 10.011 19.887 3.620) 22.557 2.275 ( 4.523 17.483 2.829) 18.278 2.435 ( 1.240 1.176 -3.986) 4.337 2.606 ( -1.471 12.687 -12.539) 17.898 2.791 ( -9.977 9.435 2.935) 14.041 2.973 ( -1.209 9.386 -3.013) 9.932 3.062 ( -2.576 15.464 -7.897) 17.554 3.147 ( -0.168 2.541 1.451) 2.931 3.288 ( -3.259 1.167 1.857) 3.929 3.380 ( -1.631 13.434 -1.972) 13.675 3.541 ( -2.397 9.526 3.169) 10.322 3.599 ( -0.776 6.083 3.534) 7.077 3.610 ( 3.963 5.169 -0.409) 6.526 3.884 ( 3.360 9.569 6.187) 11.880 4.031 ( 2.328 12.822 2.765) 13.322 4.107 ( -4.326 -5.984 -1.461) 7.527 4.398 ( 9.784 -0.370 2.807) 10.185 4.542 ( 0.920 12.479 0.768) 12.537 4.675 ( 4.805 6.442 -0.007) 8.036 4.789 ( -7.430 8.113 4.919) 12.051 4.859 ( -3.185 9.155 -0.144) 9.694 5.043 ( 0.628 7.845 3.668) 8.683 5.140 ( 4.292 -0.145 -3.345) 5.443 5.293 ( 1.429 8.024 -4.338) 9.233 5.566 ( 4.470 7.963 4.806) 10.319 5.761 ( 1.087 12.585 -1.537) 12.725 5.956 ( 2.870 10.022 1.072) 10.480 6.211 ( -2.096 5.464 -0.679) 5.892 6.529 ( 4.657 1.950 1.512) 5.271 6.623 ( -7.816 21.161 -2.356) 22.681 6.690 ( -1.682 10.510 -1.737) 10.785 6.924 ( -8.340 9.729 -6.673) 14.448 7.520 ( 10.790 12.370 10.442) 19.454 7.868 ( 5.896 18.675 0.182) 19.584 8.105 ( -10.632 9.675 -2.209) 14.544 8.204 ( -11.864 6.208 -10.431) 16.973 8.686 ( 9.894 6.048 3.142) 12.014 8.719 ( 1.590 2.030 0.609) 2.649 8.977 ( -0.970 9.382 1.076) 9.493 9.125 ( -3.640 -2.361 -1.955) 4.759 9.159 ( 2.020 4.350 -1.616) 5.061 9.396 ( -0.698 -1.536 0.396) 1.733 9.614 ( 1.889 3.453 5.846) 7.048 9.703 ( 6.190 9.198 6.802) 13.007 10.157 ( 3.141 4.277 2.256) 5.766 10.249 ( -8.283 3.066 -4.790) 10.048 10.375 ( 3.575 5.012 0.469) 6.174 10.487 ( -4.912 1.024 -5.968) 7.797 10.974 ( -3.788 -5.303 -1.255) 6.637 11.058 ( -3.899 -9.754 -1.043) 10.556 11.175 ( 2.977 0.380 0.827) 3.113 11.306 ( -0.320 1.229 -1.691) 2.115 11.908 ( -5.639 -8.013 -4.535) 10.797 11.989 ( 2.655 -6.920 1.898) 7.651 12.386 ( 0.034 -18.299 2.592) 18.482 12.574 ( -10.349 -3.599 -5.900) 12.445 12.822 ( 6.065 0.840 2.037) 6.452 13.019 ( 2.884 -4.468 1.616) 5.558 13.784 ( 1.973 -17.225 3.046) 17.603 14.013 ( 0.268 -18.167 1.557) 18.236 15.083 ( 2.607 -4.644 0.902) 5.402 15.227 ( -5.282 -9.273 -4.924) 11.753 15.417 ( 5.183 -11.355 5.355) 13.583 15.577 ( -1.792 -9.792 0.366) 9.962 15.794 ( 5.856 -13.213 3.034) 14.768 15.920 ( -1.232 -12.995 -1.673) 13.160 15.996 ( 3.351 -17.711 2.547) 18.205 16.238 ( -4.626 -8.385 -5.168) 10.882 16.544 ( 6.779 -15.892 4.988) 17.983 16.775 ( -5.169 -4.967 -4.359) 8.390 16.971 ( 4.776 -7.395 3.789) 9.584 17.266 ( 1.487 -7.190 -0.156) 7.343 17.401 ( -3.124 -0.594 -2.160) 3.844 17.683 ( -12.331 2.354 -10.672) 16.478 18.591 ( 15.143 8.238 12.107) 21.066 18.842 ( -9.724 9.309 -10.439) 17.035 19.437 ( 9.493 10.854 11.041) 18.161 19.791 ( -5.165 12.304 -2.567) 13.589 19.961 ( 3.647 3.783 0.819) 5.318 20.103 ( -9.656 -0.916 -7.183) 12.069 20.456 ( -1.456 1.447 0.253) 2.068 20.643 ( 0.110 2.375 -2.153) 3.208 20.770 ( -1.577 -0.537 3.805) 4.154 20.854 ( -6.068 1.370 -0.822) 6.275 21.196 ( 0.399 -7.468 0.643) 7.507 21.303 ( 2.280 -6.301 -2.350) 7.101 21.449 ( 5.104 -9.442 -1.175) 10.798 21.518 ( -2.056 -8.478 0.892) 8.769 21.790 ( 4.127 -1.467 -0.187) 4.383 21.805 ( 5.898 -6.755 2.723) 9.372 22.128 ( 9.096 -7.448 9.706) 15.245 22.310 ( 0.123 -13.683 1.958) 13.823 22.395 ( -4.754 -11.521 -2.857) 12.786 22.573 ( -6.174 5.118 -5.883) 9.946 22.967 ( 4.515 2.197 1.362) 5.202 23.100 ( -4.317 6.435 -5.730) 9.637 23.641 ( 8.359 0.877 7.179) 11.054 23.987 ( -4.301 0.059 -5.858) 7.267 24.134 ( -2.530 -0.442 2.630) 3.676 24.345 ( 0.186 -1.649 -4.127) 4.448 24.370 ( -3.048 -6.731 -0.618) 7.415 24.470 ( 1.013 -4.668 -5.268) 7.111 24.581 ( -0.103 4.770 5.865) 7.560 24.648 ( -0.303 4.421 6.297) 7.701 24.867 ( -6.670 -0.058 -8.751) 11.003 25.227 ( 2.972 -3.014 7.333) 8.467 25.596 ( 1.646 -2.698 0.017) 3.160 25.798 ( 1.499 -8.077 -0.135) 8.216 29.289 ( -4.511 7.036 -2.091) 8.615 29.552 ( -0.509 7.439 3.752) 8.347 29.759 ( 1.437 2.976 -1.642) 3.691 30.021 ( 4.126 3.775 0.491) 5.614 30.497 ( -0.121 5.809 -1.520) 6.005 30.690 ( 0.775 4.719 -0.630) 4.824 30.933 ( -0.852 0.543 -0.455) 1.108 31.019 ( 2.750 0.962 0.910) 3.052 37.159 ( -0.276 9.658 2.302) 9.932 37.222 ( -1.282 7.037 -0.214) 7.156 37.625 ( 2.328 11.059 -4.408) 12.130 37.729 ( 1.426 9.191 -4.405) 10.291 38.103 ( 0.281 5.063 1.666) 5.338 38.259 ( -3.449 6.067 8.073) 10.671 38.755 ( -0.085 17.719 0.619) 17.730 39.124 ( -13.440 8.542 -6.990) 17.392 39.353 ( 4.421 2.207 0.935) 5.029 39.537 ( -2.818 10.804 -1.884) 11.323 40.108 ( 3.401 -3.179 2.542) 5.304 40.430 ( -10.770 -3.139 -6.406) 12.918 40.925 ( -4.700 -7.081 11.932) 14.649 41.063 ( -9.251 -5.995 -4.123) 11.770 41.862 ( 19.472 -5.035 1.502) 20.169 42.078 ( 6.871 1.395 -0.425) 7.024 ======================= Grid point 23 (15/96) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 2.895 6.983 3.001) 8.133 2.406 ( -2.162 7.662 -3.677) 8.770 2.476 ( 6.761 11.665 -4.603) 14.247 2.544 ( 7.613 15.367 0.755) 17.166 2.682 ( 1.556 9.113 1.334) 9.341 2.928 ( -3.548 13.016 -8.326) 15.853 2.950 ( -2.475 6.434 2.218) 7.241 3.164 ( 0.836 6.097 1.107) 6.253 3.235 ( -2.079 3.238 -0.434) 3.872 3.346 ( 0.889 14.156 -5.457) 15.197 3.485 ( -8.245 15.653 5.827) 18.627 3.557 ( -3.148 6.621 4.201) 8.449 3.693 ( 1.895 0.933 0.279) 2.131 3.949 ( -0.463 9.573 1.270) 9.668 4.091 ( 5.431 0.393 2.863) 6.152 4.138 ( 4.816 6.061 2.557) 8.153 4.393 ( -7.317 9.001 -1.786) 11.736 4.567 ( -1.778 7.782 3.150) 8.582 4.761 ( 3.042 8.494 3.031) 9.518 4.793 ( -2.861 12.452 -2.493) 13.018 4.977 ( 5.923 -4.867 5.963) 9.712 5.097 ( 11.212 5.875 4.814) 13.543 5.101 ( -2.151 4.266 -6.751) 8.270 5.234 ( -2.554 0.479 -4.337) 5.056 5.566 ( 1.265 19.626 1.498) 19.724 5.821 ( -2.100 10.219 -3.168) 10.903 6.015 ( 0.855 11.549 -1.019) 11.626 6.172 ( -0.499 9.754 2.282) 10.030 6.389 ( -6.428 12.644 -5.419) 15.185 6.543 ( -7.568 13.536 -6.445) 16.794 6.747 ( 1.320 -2.415 2.377) 3.637 6.872 ( 9.150 13.981 8.068) 18.554 7.663 ( -12.844 11.055 -8.790) 19.090 7.865 ( 13.667 10.849 10.585) 20.409 7.900 ( -9.561 11.003 -7.442) 16.366 8.250 ( 11.007 9.843 9.274) 17.437 8.733 ( 0.706 7.908 0.004) 7.939 8.842 ( -2.335 15.300 -4.444) 16.102 8.897 ( 3.345 -5.467 -0.442) 6.424 9.098 ( 0.392 1.053 5.122) 5.244 9.242 ( 5.291 4.251 -0.528) 6.808 9.408 ( 0.451 3.962 2.547) 4.731 9.532 ( -9.542 7.434 -5.983) 13.495 9.851 ( 0.828 4.705 4.246) 6.392 10.066 ( -6.042 4.695 -3.078) 8.248 10.209 ( -8.100 9.788 -7.067) 14.538 10.320 ( 6.650 -4.431 6.180) 10.102 10.508 ( 3.879 2.358 -1.591) 4.811 10.833 ( -4.874 -7.334 -2.154) 9.065 11.021 ( -2.546 -9.564 0.214) 9.900 11.225 ( 0.285 3.494 -1.514) 3.818 11.323 ( 3.778 -0.540 1.612) 4.143 11.759 ( -5.208 -5.550 -3.612) 8.424 12.079 ( 4.029 -10.303 2.949) 11.449 12.232 ( -10.069 -15.376 -7.328) 19.786 12.518 ( 0.582 -5.053 3.556) 6.206 12.907 ( 2.939 -7.984 0.050) 8.508 13.055 ( 0.173 1.499 0.096) 1.512 13.850 ( 1.978 -20.683 2.732) 20.956 14.034 ( 0.339 -14.444 1.820) 14.562 15.162 ( 0.856 -4.546 -0.568) 4.661 15.211 ( 8.278 -10.286 5.692) 14.378 15.481 ( -4.482 -10.933 -2.089) 11.999 15.580 ( 4.009 -8.662 4.880) 10.720 15.803 ( -4.511 -14.191 -4.825) 15.653 15.932 ( 4.531 -18.632 3.700) 19.529 15.993 ( -7.438 -12.111 -6.917) 15.806 16.192 ( 4.434 -11.844 1.907) 12.790 16.599 ( -5.560 -7.557 -4.330) 10.333 16.748 ( 6.184 -9.797 4.174) 12.314 17.033 ( -5.411 -7.790 -4.802) 10.631 17.177 ( 4.586 -8.338 2.914) 9.952 17.448 ( -6.968 0.283 -5.197) 8.697 17.607 ( 14.103 3.778 9.961) 17.675 18.447 ( -16.055 7.409 -13.199) 22.065 18.979 ( 10.625 13.101 8.005) 18.671 19.591 ( -1.312 10.175 -0.915) 10.300 19.703 ( -0.731 9.814 -0.728) 9.868 19.831 ( -7.961 3.171 -2.955) 9.065 20.149 ( 9.471 2.249 6.232) 11.558 20.444 ( 0.192 1.356 0.029) 1.370 20.601 ( -6.582 5.388 -0.463) 8.518 20.624 ( -3.478 -1.226 -3.456) 5.054 20.891 ( 1.273 1.237 3.127) 3.596 21.216 ( 0.906 -5.188 0.993) 5.360 21.331 ( 1.372 -9.812 -0.534) 9.922 21.525 ( 3.884 -13.563 -0.714) 14.126 21.538 ( 4.530 -9.432 0.790) 10.493 21.817 ( 0.560 -4.352 -2.197) 4.907 21.919 ( 2.822 -1.358 2.564) 4.048 22.123 ( -11.555 -11.916 -5.348) 17.439 22.291 ( -3.140 -4.074 -1.275) 5.299 22.393 ( -1.356 -3.030 -1.453) 3.624 22.526 ( 9.100 -6.088 7.253) 13.133 22.978 ( -1.724 6.815 -3.214) 7.730 23.158 ( 9.285 0.884 5.157) 10.658 23.776 ( -3.463 -0.654 -3.826) 5.202 23.879 ( 2.354 -1.087 1.471) 2.981 24.116 ( -2.305 -2.097 2.598) 4.057 24.235 ( -2.598 -4.029 -7.602) 8.988 24.338 ( -2.603 -6.422 2.495) 7.365 24.447 ( 0.357 0.364 -4.237) 4.268 24.638 ( -2.678 -0.362 7.105) 7.602 24.672 ( -2.749 4.103 -5.001) 7.029 24.723 ( 1.751 8.933 1.653) 9.252 25.338 ( 2.284 -6.009 5.522) 8.474 25.634 ( 2.836 -6.085 -0.241) 6.718 25.795 ( -1.210 -4.411 -1.268) 4.746 29.190 ( -3.545 7.436 -1.759) 8.424 29.616 ( 1.668 5.702 7.232) 9.359 29.759 ( 1.199 3.022 -4.946) 5.919 30.074 ( 1.267 0.086 0.343) 1.316 30.481 ( -0.173 8.644 -1.605) 8.794 30.698 ( 0.710 4.191 -0.763) 4.319 30.919 ( -0.370 1.201 -0.395) 1.317 31.077 ( 2.468 0.885 0.845) 2.755 37.137 ( -2.259 8.004 -0.027) 8.317 37.250 ( 2.064 7.337 4.290) 8.746 37.567 ( -1.852 9.066 -7.896) 12.164 37.773 ( 5.921 8.824 -4.841) 11.677 38.091 ( -3.368 10.468 3.175) 11.446 38.248 ( -4.602 5.539 6.780) 9.891 38.755 ( -1.421 20.944 -2.186) 21.106 38.944 ( -1.154 15.666 5.040) 16.497 39.348 ( -0.910 3.600 -2.325) 4.381 39.632 ( 5.300 9.009 1.617) 10.577 39.877 ( -12.722 0.859 -11.234) 16.994 40.401 ( 1.679 -4.820 5.041) 7.174 40.707 ( -13.787 2.029 -0.187) 13.937 41.115 ( 3.990 -21.786 2.362) 22.274 42.121 ( 8.800 -0.788 0.147) 8.836 42.218 ( 6.758 -5.614 0.798) 8.822 ======================= Grid point 24 (16/96) ======================= q-point: (-0.50 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 0.000 7.781 -0.000) 7.781 2.316 ( 0.000 3.849 0.000) 3.849 2.535 ( 0.000 12.939 0.000) 12.939 2.661 ( -0.000 5.385 0.000) 5.385 2.784 ( 0.000 10.731 0.000) 10.731 2.810 ( 0.000 7.458 0.000) 7.458 2.937 ( 0.000 9.523 0.000) 9.523 3.181 ( -0.000 7.780 0.000) 7.780 3.216 ( 0.000 7.542 -0.000) 7.542 3.321 ( 0.000 12.905 0.000) 12.905 3.417 ( 0.000 23.130 -0.000) 23.130 3.619 ( -0.000 -4.109 -0.000) 4.109 3.630 ( 0.000 9.944 0.000) 9.944 3.957 ( 0.000 10.270 -0.000) 10.270 4.200 ( 0.000 9.748 -0.000) 9.748 4.205 ( -0.000 -4.992 0.000) 4.992 4.328 ( -0.000 4.009 0.000) 4.009 4.474 ( 0.000 12.622 0.000) 12.622 4.745 ( 0.000 10.222 -0.000) 10.222 4.829 ( 0.000 12.029 -0.000) 12.029 4.996 ( 0.000 -7.831 0.000) 7.831 5.037 ( 0.000 6.876 0.000) 6.876 5.174 ( 0.000 -3.355 -0.000) 3.355 5.447 ( 0.000 6.689 0.000) 6.689 5.521 ( -0.000 18.144 -0.000) 18.144 5.689 ( 0.000 20.115 0.000) 20.115 6.117 ( 0.000 6.086 0.000) 6.086 6.142 ( 0.000 15.862 0.000) 15.862 6.259 ( 0.000 -7.919 0.000) 7.919 6.412 ( 0.000 27.971 0.000) 27.971 6.821 ( 0.000 -6.814 0.000) 6.814 7.025 ( 0.000 15.018 -0.000) 15.018 7.476 ( 0.000 17.574 0.000) 17.574 7.766 ( 0.000 9.386 0.000) 9.386 8.071 ( 0.000 12.424 0.000) 12.424 8.393 ( 0.000 -1.014 -0.000) 1.014 8.714 ( 0.000 10.535 0.000) 10.535 8.898 ( 0.000 3.406 0.000) 3.406 8.933 ( -0.000 17.369 0.000) 17.369 9.146 ( 0.000 0.088 -0.000) 0.088 9.197 ( 0.000 -7.226 0.000) 7.226 9.326 ( 0.000 11.999 0.000) 11.999 9.508 ( 0.000 3.170 -0.000) 3.170 9.894 ( -0.000 -4.896 -0.000) 4.896 9.907 ( 0.000 17.966 0.000) 17.966 10.100 ( 0.000 11.123 0.000) 11.123 10.480 ( 0.000 -4.091 0.000) 4.091 10.501 ( -0.000 -4.887 -0.000) 4.887 10.833 ( -0.000 -3.882 -0.000) 3.882 10.944 ( 0.000 -3.922 0.000) 3.922 11.217 ( 0.000 1.350 -0.000) 1.350 11.376 ( 0.000 -4.244 -0.000) 4.244 11.704 ( 0.000 -0.791 0.000) 0.791 12.087 ( 0.000 -16.905 0.000) 16.905 12.137 ( 0.000 -11.166 -0.000) 11.166 12.533 ( 0.000 -3.017 0.000) 3.017 12.953 ( 0.000 -10.699 0.000) 10.699 13.035 ( 0.000 0.448 -0.000) 0.448 13.881 ( 0.000 -22.144 0.000) 22.144 14.046 ( 0.000 -13.055 0.000) 13.055 15.197 ( 0.000 1.669 0.000) 1.669 15.358 ( 0.000 -13.634 -0.000) 13.634 15.456 ( -0.000 -13.301 -0.000) 13.301 15.528 ( 0.000 -10.210 0.000) 10.210 15.800 ( -0.000 -14.526 -0.000) 14.526 15.848 ( 0.000 -13.602 0.000) 13.602 16.020 ( 0.000 -22.136 -0.000) 22.136 16.199 ( 0.000 -1.319 0.000) 1.319 16.540 ( 0.000 -13.911 0.000) 13.911 16.838 ( 0.000 -7.112 0.000) 7.112 16.928 ( -0.000 -7.407 -0.000) 7.407 17.309 ( 0.000 -2.921 0.000) 2.921 17.312 ( -0.000 -5.390 -0.000) 5.390 17.992 ( 0.000 -1.655 0.000) 1.655 18.032 ( -0.000 11.701 -0.000) 11.701 19.127 ( 0.000 20.272 0.000) 20.272 19.510 ( 0.000 3.546 -0.000) 3.546 19.683 ( 0.000 3.885 0.000) 3.885 19.788 ( 0.000 11.512 0.000) 11.512 20.308 ( 0.000 -0.643 0.000) 0.643 20.465 ( -0.000 3.429 0.000) 3.429 20.502 ( 0.000 1.091 0.000) 1.091 20.571 ( 0.000 3.341 0.000) 3.341 20.913 ( 0.000 1.761 0.000) 1.761 21.232 ( 0.000 -3.436 -0.000) 3.436 21.336 ( 0.000 -12.169 0.000) 12.169 21.563 ( 0.000 -16.581 0.000) 16.581 21.692 ( 0.000 -7.873 -0.000) 7.873 21.719 ( 0.000 -10.446 0.000) 10.446 21.956 ( -0.000 -1.463 0.000) 1.463 21.958 ( 0.000 -2.914 -0.000) 2.914 22.221 ( 0.000 5.437 -0.000) 5.437 22.394 ( 0.000 -12.077 0.000) 12.077 22.668 ( 0.000 -5.841 0.000) 5.841 22.953 ( 0.000 7.038 0.000) 7.038 23.309 ( 0.000 -1.448 -0.000) 1.448 23.655 ( 0.000 0.578 0.000) 0.578 23.940 ( 0.000 -4.580 -0.000) 4.580 24.098 ( 0.000 -5.344 -0.000) 5.344 24.183 ( 0.000 0.819 0.000) 0.819 24.336 ( 0.000 -10.938 -0.000) 10.938 24.418 ( 0.000 2.809 0.000) 2.809 24.564 ( 0.000 -1.901 -0.000) 1.901 24.694 ( 0.000 10.928 0.000) 10.928 24.755 ( 0.000 7.497 -0.000) 7.497 25.379 ( 0.000 -5.653 -0.000) 5.653 25.677 ( 0.000 -12.167 -0.000) 12.167 25.761 ( 0.000 0.394 0.000) 0.394 29.150 ( 0.000 7.071 0.000) 7.071 29.689 ( 0.000 4.954 -0.000) 4.954 29.727 ( 0.000 3.089 0.000) 3.089 30.084 ( 0.000 -1.528 -0.000) 1.528 30.471 ( 0.000 10.117 0.000) 10.117 30.702 ( 0.000 3.884 0.000) 3.884 30.914 ( 0.000 1.601 0.000) 1.601 31.106 ( 0.000 0.837 0.000) 0.837 37.114 ( 0.000 7.611 -0.000) 7.611 37.307 ( 0.000 4.920 0.000) 4.920 37.496 ( 0.000 10.866 -0.000) 10.866 37.810 ( -0.000 7.856 0.000) 7.856 38.070 ( 0.000 15.427 0.000) 15.427 38.227 ( 0.000 3.878 -0.000) 3.878 38.722 ( 0.000 21.192 0.000) 21.192 39.010 ( 0.000 18.759 0.000) 18.759 39.374 ( 0.000 8.138 0.000) 8.138 39.503 ( 0.000 1.267 0.000) 1.267 39.833 ( 0.000 3.622 0.000) 3.622 40.443 ( 0.000 -3.193 -0.000) 3.193 40.555 ( 0.000 0.917 0.000) 0.917 41.162 ( 0.000 -24.066 -0.000) 24.066 42.201 ( 0.000 2.909 -0.000) 2.909 42.285 ( -0.000 -9.904 0.000) 9.904 ======================= Grid point 28 (17/96) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 0.000 6.430 0.000) 6.430 2.371 ( 0.000 -3.558 0.000) 3.558 2.652 ( 0.000 22.763 0.000) 22.763 2.859 ( 0.000 0.632 0.000) 0.632 2.879 ( 0.000 1.509 0.000) 1.509 3.129 ( 0.000 2.661 0.000) 2.661 3.246 ( 0.000 -6.537 0.000) 6.537 3.327 ( 0.000 16.064 0.000) 16.064 3.435 ( 0.000 6.435 0.000) 6.435 3.592 ( 0.000 3.742 0.000) 3.742 3.602 ( 0.000 0.634 0.000) 0.634 3.708 ( 0.000 11.266 0.000) 11.266 3.834 ( 0.000 7.714 0.000) 7.714 3.985 ( 0.000 -8.823 0.000) 8.823 4.018 ( 0.000 -1.089 0.000) 1.089 4.036 ( 0.000 10.088 0.000) 10.088 4.321 ( 0.000 6.574 0.000) 6.574 4.790 ( 0.000 5.420 0.000) 5.420 4.888 ( 0.000 -0.061 0.000) 0.061 5.032 ( 0.000 -1.816 0.000) 1.816 5.074 ( 0.000 18.435 0.000) 18.435 5.135 ( 0.000 9.074 0.000) 9.074 5.160 ( 0.000 11.134 0.000) 11.134 5.382 ( 0.000 -7.366 0.000) 7.366 5.422 ( 0.000 13.813 0.000) 13.813 6.017 ( 0.000 0.807 0.000) 0.807 6.100 ( 0.000 -0.670 0.000) 0.670 6.341 ( 0.000 19.650 0.000) 19.650 6.405 ( 0.000 -6.230 0.000) 6.230 6.889 ( 0.000 4.840 0.000) 4.840 6.985 ( 0.000 3.032 0.000) 3.032 7.365 ( 0.000 19.187 0.000) 19.187 7.773 ( 0.000 18.584 0.000) 18.584 8.003 ( 0.000 -2.159 0.000) 2.159 8.360 ( 0.000 0.268 0.000) 0.268 8.375 ( 0.000 -1.285 0.000) 1.285 8.533 ( 0.000 -3.958 0.000) 3.958 9.025 ( 0.000 27.465 0.000) 27.465 9.032 ( 0.000 -6.783 0.000) 6.783 9.237 ( 0.000 6.878 0.000) 6.878 9.329 ( 0.000 5.415 0.000) 5.415 9.558 ( 0.000 7.122 0.000) 7.122 9.674 ( 0.000 36.076 0.000) 36.076 9.905 ( 0.000 15.519 0.000) 15.519 10.338 ( 0.000 10.590 0.000) 10.590 10.397 ( 0.000 1.734 0.000) 1.734 10.501 ( 0.000 7.687 0.000) 7.687 10.573 ( 0.000 10.633 0.000) 10.633 10.848 ( 0.000 -11.003 0.000) 11.003 10.945 ( 0.000 -8.074 0.000) 8.074 11.273 ( 0.000 -2.940 0.000) 2.940 11.274 ( 0.000 4.051 0.000) 4.051 11.741 ( 0.000 -10.409 0.000) 10.409 11.975 ( 0.000 -15.715 0.000) 15.715 11.977 ( 0.000 2.131 0.000) 2.131 12.491 ( 0.000 -25.365 0.000) 25.365 12.704 ( 0.000 -5.036 0.000) 5.036 12.865 ( 0.000 1.459 0.000) 1.459 13.424 ( 0.000 -17.287 0.000) 17.287 13.579 ( 0.000 -20.462 0.000) 20.462 14.944 ( 0.000 -20.266 0.000) 20.266 15.065 ( 0.000 -1.636 0.000) 1.636 15.161 ( 0.000 -14.096 0.000) 14.096 15.201 ( 0.000 -14.085 0.000) 14.085 15.556 ( 0.000 -6.450 0.000) 6.450 15.602 ( 0.000 -12.149 0.000) 12.149 15.807 ( 0.000 -3.111 0.000) 3.111 16.096 ( 0.000 -14.736 0.000) 14.736 16.289 ( 0.000 3.702 0.000) 3.702 16.719 ( 0.000 -7.828 0.000) 7.828 16.879 ( 0.000 2.381 0.000) 2.381 17.127 ( 0.000 -3.307 0.000) 3.307 17.471 ( 0.000 2.287 0.000) 2.287 17.954 ( 0.000 -4.025 0.000) 4.025 18.440 ( 0.000 10.800 0.000) 10.800 19.134 ( 0.000 -9.136 0.000) 9.136 19.407 ( 0.000 14.762 0.000) 14.762 19.968 ( 0.000 -3.552 0.000) 3.552 20.034 ( 0.000 4.171 0.000) 4.171 20.093 ( 0.000 -5.626 0.000) 5.626 20.520 ( 0.000 2.005 0.000) 2.005 20.645 ( 0.000 -2.214 0.000) 2.214 20.697 ( 0.000 -0.145 0.000) 0.145 20.936 ( 0.000 -13.615 0.000) 13.615 21.070 ( 0.000 2.875 0.000) 2.875 21.234 ( 0.000 1.710 0.000) 1.710 21.284 ( 0.000 -5.907 0.000) 5.907 21.429 ( 0.000 -2.564 0.000) 2.564 21.591 ( 0.000 -0.130 0.000) 0.130 21.693 ( 0.000 -1.305 0.000) 1.305 21.967 ( 0.000 -1.196 0.000) 1.196 22.138 ( 0.000 -2.624 0.000) 2.624 22.192 ( 0.000 -10.661 0.000) 10.661 22.715 ( 0.000 -3.059 0.000) 3.059 23.078 ( 0.000 9.760 0.000) 9.760 23.348 ( 0.000 11.852 0.000) 11.852 23.549 ( 0.000 2.141 0.000) 2.141 24.032 ( 0.000 -2.339 0.000) 2.339 24.112 ( 0.000 -5.505 0.000) 5.505 24.235 ( 0.000 -11.092 0.000) 11.092 24.273 ( 0.000 -4.438 0.000) 4.438 24.432 ( 0.000 4.371 0.000) 4.371 24.446 ( 0.000 -11.507 0.000) 11.507 24.679 ( 0.000 2.816 0.000) 2.816 25.078 ( 0.000 3.691 0.000) 3.691 25.142 ( 0.000 0.418 0.000) 0.418 25.539 ( 0.000 -1.467 0.000) 1.467 25.631 ( 0.000 -5.250 0.000) 5.250 29.484 ( 0.000 7.867 0.000) 7.867 29.718 ( 0.000 7.427 0.000) 7.427 29.782 ( 0.000 0.062 0.000) 0.062 30.036 ( 0.000 0.278 0.000) 0.278 30.622 ( 0.000 7.114 0.000) 7.114 30.794 ( 0.000 5.385 0.000) 5.385 30.961 ( 0.000 0.584 0.000) 0.584 30.982 ( 0.000 -1.305 0.000) 1.305 37.319 ( 0.000 6.607 0.000) 6.607 37.358 ( 0.000 4.506 0.000) 4.506 37.833 ( 0.000 9.157 0.000) 9.157 37.920 ( 0.000 7.020 0.000) 7.020 38.179 ( 0.000 5.224 0.000) 5.224 38.326 ( 0.000 1.622 0.000) 1.622 39.112 ( 0.000 16.632 0.000) 16.632 39.334 ( 0.000 2.949 0.000) 2.949 39.344 ( 0.000 3.047 0.000) 3.047 39.825 ( 0.000 -6.362 0.000) 6.362 39.855 ( 0.000 5.910 0.000) 5.910 40.556 ( 0.000 -14.752 0.000) 14.752 40.675 ( 0.000 4.732 0.000) 4.732 41.182 ( 0.000 -11.638 0.000) 11.638 41.668 ( 0.000 11.186 0.000) 11.186 42.038 ( 0.000 -0.142 0.000) 0.142 ======================= Grid point 29 (18/96) ======================= q-point: ( 0.17 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 1.281 5.655 3.976) 7.030 2.388 ( 1.534 -2.149 1.480) 3.027 2.725 ( 4.131 12.962 -1.696) 13.710 2.771 ( -1.291 8.267 -5.828) 10.197 2.906 ( -1.270 5.287 3.824) 6.647 3.083 ( -3.458 -0.225 -0.409) 3.489 3.140 ( -0.529 2.522 -11.514) 11.799 3.308 ( -3.643 9.925 -2.646) 10.899 3.447 ( 0.051 11.825 2.143) 12.017 3.531 ( -1.383 4.153 -2.154) 4.879 3.646 ( -4.722 -1.683 3.583) 6.162 3.724 ( 2.498 6.258 2.702) 7.259 3.853 ( -2.073 9.059 6.201) 11.172 3.925 ( -0.813 -1.494 -2.207) 2.786 4.066 ( 3.628 1.299 1.400) 4.100 4.159 ( 7.905 1.354 1.304) 8.125 4.459 ( 11.318 6.553 3.943) 13.660 4.668 ( -2.108 7.020 -2.778) 7.838 4.837 ( -7.940 -0.695 3.177) 8.580 4.944 ( -6.662 3.556 0.608) 7.575 5.075 ( -0.493 8.867 3.856) 9.681 5.197 ( 4.092 17.863 -3.841) 18.724 5.230 ( 3.216 5.794 -1.326) 6.758 5.400 ( 5.396 3.868 -4.619) 8.088 5.611 ( 8.684 -0.424 9.447) 12.839 5.871 ( -4.097 4.547 -0.819) 6.175 6.072 ( -4.956 -5.526 -4.278) 8.567 6.250 ( 0.275 0.787 -0.974) 1.282 6.713 ( 9.182 5.320 5.892) 12.138 6.789 ( -1.028 15.935 -0.486) 15.976 6.946 ( -3.384 0.763 -0.211) 3.475 7.195 ( -13.424 17.451 -9.417) 23.947 7.775 ( 4.651 9.966 7.468) 13.294 8.020 ( -11.526 -0.643 -6.335) 13.168 8.304 ( 8.954 5.728 2.865) 11.009 8.356 ( -1.865 4.832 -3.218) 6.097 8.741 ( 7.771 0.960 5.942) 9.829 8.965 ( -1.258 14.828 0.288) 14.884 9.022 ( -1.953 -3.392 0.272) 3.924 9.212 ( -2.540 7.056 0.103) 7.500 9.363 ( 3.917 16.137 -0.725) 16.622 9.493 ( -0.825 14.886 -4.817) 15.667 9.853 ( 10.199 20.787 10.350) 25.362 10.000 ( 5.261 18.381 5.380) 19.861 10.246 ( -9.176 2.665 -6.015) 11.291 10.272 ( -6.713 7.837 -5.074) 11.499 10.531 ( 2.969 5.625 0.378) 6.371 10.569 ( -1.267 7.351 -0.857) 7.508 10.781 ( -3.928 -9.379 -3.595) 10.785 10.885 ( -4.463 -8.340 -2.649) 9.823 11.294 ( 1.662 4.664 1.040) 5.059 11.332 ( 3.507 0.432 1.927) 4.024 11.720 ( -2.941 -8.485 -2.696) 9.376 11.839 ( -3.558 -8.408 -2.750) 9.535 12.053 ( -0.276 -11.512 0.273) 11.519 12.347 ( -5.378 -16.140 -5.183) 17.785 12.784 ( 1.276 -4.924 3.825) 6.364 12.912 ( 2.342 -7.318 3.017) 8.255 13.436 ( 0.397 -17.096 2.003) 17.217 13.610 ( 1.770 -20.297 2.919) 20.582 14.919 ( 0.937 -11.898 -0.298) 11.938 15.006 ( -4.074 -8.670 -4.905) 10.763 15.206 ( 6.243 -9.812 5.262) 12.764 15.297 ( 1.484 -15.807 2.034) 16.007 15.584 ( 1.879 -7.793 0.337) 8.024 15.633 ( 2.744 -15.582 1.015) 15.855 15.786 ( 0.018 -2.124 0.176) 2.131 16.010 ( -7.668 -12.036 -6.059) 15.505 16.380 ( 8.720 -0.805 5.192) 10.181 16.648 ( -5.547 -6.995 -4.816) 10.144 16.940 ( 5.227 2.725 3.391) 6.800 17.147 ( -2.038 -3.439 -3.601) 5.380 17.453 ( 2.595 4.132 3.035) 5.746 17.714 ( -12.231 0.242 -9.683) 15.601 18.732 ( 15.264 4.439 12.175) 20.023 18.930 ( -10.562 -1.428 -10.214) 14.762 19.620 ( 10.453 7.756 11.598) 17.434 19.915 ( -4.844 -7.480 -5.013) 10.225 19.974 ( -4.808 4.576 -3.012) 7.288 20.070 ( 0.283 1.772 0.505) 1.865 20.496 ( -1.196 3.008 0.196) 3.243 20.641 ( 0.036 -1.446 -2.672) 3.038 20.788 ( 3.864 0.198 6.584) 7.637 20.876 ( -8.439 -4.163 -0.275) 9.414 20.990 ( 1.342 -6.535 -1.979) 6.959 21.156 ( -2.477 -6.286 -3.205) 7.478 21.363 ( -0.145 0.230 -1.569) 1.593 21.467 ( 1.148 2.193 2.394) 3.444 21.619 ( 4.888 -8.522 4.035) 10.620 21.762 ( 3.281 -2.094 2.069) 4.408 22.035 ( 5.132 -3.014 1.023) 6.039 22.078 ( -2.058 -8.380 -3.475) 9.302 22.264 ( 4.548 -1.821 4.675) 6.772 22.656 ( -5.583 0.698 -4.386) 7.134 23.069 ( 2.397 6.876 -1.577) 7.451 23.269 ( -2.865 9.473 -5.690) 11.416 23.661 ( 6.029 1.655 5.294) 8.193 23.966 ( -4.867 -2.124 -4.368) 6.876 24.111 ( 0.261 -7.014 -1.021) 7.093 24.193 ( -4.936 -4.056 -3.238) 7.162 24.269 ( 0.008 -5.803 -1.901) 6.107 24.380 ( 1.471 -4.667 -1.680) 5.174 24.536 ( 0.605 -3.137 8.757) 9.322 24.729 ( 2.959 2.389 4.590) 5.961 24.963 ( -5.865 5.937 -4.544) 9.503 25.149 ( -1.919 -3.917 1.618) 4.652 25.560 ( 1.255 -0.925 0.649) 1.688 25.670 ( 2.438 -4.855 1.758) 5.710 29.450 ( -3.211 8.490 -1.344) 9.176 29.706 ( -1.439 7.477 2.960) 8.169 29.786 ( 1.185 -0.282 -1.777) 2.155 30.051 ( 0.991 -1.074 -0.372) 1.508 30.641 ( 1.813 8.132 0.056) 8.332 30.795 ( 0.381 5.318 -0.603) 5.365 30.948 ( -0.444 0.601 -0.519) 0.910 31.015 ( 2.458 -1.498 0.884) 3.011 37.319 ( -1.407 5.905 0.850) 6.129 37.347 ( 0.128 4.931 -0.721) 4.985 37.818 ( -0.081 7.933 -5.667) 9.749 37.891 ( 1.468 6.257 -5.283) 8.320 38.222 ( 0.785 6.315 5.624) 8.493 38.351 ( -2.140 3.015 9.319) 10.026 39.086 ( -0.086 13.550 0.483) 13.559 39.244 ( -6.634 4.364 -3.204) 8.563 39.435 ( 6.278 6.661 1.066) 9.216 39.716 ( -1.759 6.846 -3.746) 8.000 40.023 ( 6.904 -5.393 4.246) 9.735 40.371 ( -8.978 -5.286 -13.610) 17.140 40.725 ( -2.545 -6.489 10.489) 12.594 40.993 ( -15.293 -5.006 -0.483) 16.099 41.847 ( 13.576 3.490 0.769) 14.038 42.094 ( 5.532 -0.285 -0.233) 5.545 ======================= Grid point 30 (19/96) ======================= q-point: ( 0.33 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 1.333 5.191 6.521) 8.441 2.430 ( -0.034 0.078 0.890) 0.894 2.613 ( -0.269 3.438 -9.371) 9.985 2.795 ( -2.111 2.372 -1.489) 3.507 2.944 ( 2.982 12.317 2.524) 12.921 3.044 ( -1.047 6.036 -3.047) 6.842 3.089 ( 1.917 7.747 -6.122) 10.058 3.233 ( 0.186 5.899 0.528) 5.925 3.456 ( -0.936 12.239 1.834) 12.411 3.501 ( -0.778 4.705 -1.747) 5.079 3.567 ( -5.557 -2.415 2.226) 6.455 3.751 ( -0.664 4.615 1.586) 4.925 3.831 ( -3.782 9.665 1.840) 10.540 3.956 ( 3.896 -4.546 0.975) 6.066 4.132 ( 0.252 -0.207 3.602) 3.617 4.295 ( 7.809 8.810 0.337) 11.777 4.536 ( -3.815 6.594 -1.363) 7.739 4.756 ( 0.949 -0.606 2.078) 2.363 4.816 ( -1.215 7.119 6.758) 9.891 4.952 ( 11.811 -1.093 6.531) 13.541 5.093 ( -0.267 8.981 -4.991) 10.278 5.164 ( -3.568 14.445 -1.967) 15.009 5.243 ( 6.800 8.074 -3.024) 10.981 5.394 ( -2.279 11.682 -3.161) 12.315 5.758 ( 1.274 -0.112 3.681) 3.897 5.850 ( -0.230 0.874 1.159) 1.470 6.096 ( 1.896 -4.593 0.561) 5.001 6.254 ( 5.450 -3.363 1.956) 6.696 6.577 ( -13.470 9.196 -10.210) 19.242 6.739 ( -5.791 4.185 -0.442) 7.159 6.897 ( -6.672 10.174 -4.419) 12.944 7.173 ( 12.174 17.063 8.499) 22.618 7.746 ( -6.753 0.070 -0.774) 6.797 8.043 ( 10.082 6.856 11.500) 16.760 8.206 ( -8.308 11.513 -9.951) 17.338 8.457 ( 3.110 7.826 -1.317) 8.524 8.722 ( -4.647 -5.966 -4.522) 8.811 9.003 ( 2.887 12.686 5.755) 14.226 9.091 ( 4.335 -1.649 4.104) 6.193 9.242 ( 2.215 17.351 4.750) 18.125 9.370 ( 1.724 10.525 -5.462) 11.983 9.544 ( 4.871 10.651 1.767) 11.845 9.819 ( -12.665 19.105 -8.595) 24.481 10.041 ( -9.025 11.907 -5.665) 15.979 10.187 ( 5.341 7.108 6.100) 10.783 10.275 ( 9.601 10.281 9.208) 16.813 10.468 ( -5.136 11.678 -5.562) 13.918 10.564 ( 0.659 1.973 -2.074) 2.937 10.726 ( 0.107 -4.285 0.195) 4.291 10.804 ( -2.549 -9.654 -1.615) 10.115 11.308 ( -1.742 1.108 -0.927) 2.263 11.374 ( 0.274 4.921 -0.809) 4.994 11.629 ( -0.859 -7.594 -0.134) 7.643 11.853 ( 2.986 -10.898 1.447) 11.391 11.927 ( -8.079 -11.763 -6.459) 15.664 12.345 ( 3.412 -11.861 3.214) 12.754 12.775 ( -2.682 -5.118 -0.773) 5.829 12.949 ( -0.418 -11.426 1.420) 11.522 13.462 ( 0.347 -16.869 1.986) 16.989 13.662 ( 0.984 -21.228 2.284) 21.373 14.923 ( 0.328 -13.935 -0.592) 13.952 15.040 ( 7.776 -7.318 4.490) 11.584 15.241 ( -4.592 -12.518 -3.332) 13.744 15.353 ( 2.237 -13.846 2.659) 14.275 15.578 ( -1.699 -9.617 -3.144) 10.260 15.619 ( -1.418 -9.951 -1.381) 10.145 15.822 ( -3.888 -5.110 -3.129) 7.143 15.936 ( 7.850 -11.415 5.926) 15.068 16.462 ( -7.688 -4.195 -7.149) 11.306 16.591 ( 7.317 -5.875 4.852) 10.564 16.986 ( -5.475 1.419 -5.526) 7.907 17.102 ( 6.661 -0.166 3.303) 7.437 17.452 ( -8.778 1.023 -5.405) 10.359 17.681 ( 13.005 2.341 10.046) 16.599 18.577 ( -15.166 5.008 -11.955) 19.950 19.110 ( 13.227 -2.858 9.096) 16.305 19.674 ( -9.082 -0.371 -6.708) 11.296 19.850 ( -4.460 5.361 -2.910) 7.557 19.929 ( 6.488 5.741 8.740) 12.306 20.132 ( 4.053 -0.617 2.000) 4.562 20.491 ( 0.822 3.887 -0.185) 3.977 20.597 ( -2.631 -0.989 -2.673) 3.879 20.708 ( -5.272 3.575 -0.163) 6.372 20.944 ( 3.105 1.967 7.389) 8.253 21.044 ( 3.573 -8.866 1.246) 9.640 21.096 ( -1.321 -10.170 -2.447) 10.543 21.317 ( -1.174 -5.407 -4.566) 7.173 21.497 ( 1.877 2.212 1.212) 3.144 21.684 ( -1.725 -7.261 -0.412) 7.474 21.835 ( 1.476 -7.373 3.896) 8.469 21.993 ( -1.600 -2.236 -3.502) 4.452 22.154 ( 5.155 -5.261 1.243) 7.470 22.425 ( 5.414 -0.165 4.160) 6.830 22.473 ( -6.236 2.128 -4.920) 8.223 23.164 ( 5.075 8.592 0.984) 10.027 23.210 ( 1.923 4.366 -1.580) 5.026 23.739 ( -3.220 -2.560 -3.321) 5.287 23.852 ( -0.595 -0.548 -0.111) 0.816 24.018 ( -4.930 -9.504 -7.751) 13.218 24.135 ( -0.986 -1.223 2.895) 3.294 24.241 ( -1.097 -3.318 -1.169) 3.685 24.415 ( 1.614 -3.539 -0.163) 3.893 24.574 ( -1.783 -0.618 3.035) 3.574 24.828 ( 2.828 4.483 4.344) 6.854 24.885 ( -0.386 6.620 0.634) 6.662 25.123 ( -1.604 -11.884 1.464) 12.081 25.572 ( 0.100 -0.519 -0.626) 0.820 25.715 ( 0.889 -4.068 0.965) 4.274 29.372 ( -3.140 9.963 -1.483) 10.551 29.729 ( -0.732 4.631 6.472) 7.992 29.791 ( 2.237 0.733 -4.847) 5.388 30.050 ( -0.561 -2.414 -0.482) 2.524 30.674 ( 1.482 9.886 0.006) 9.996 30.795 ( 0.235 4.999 -0.881) 5.082 30.940 ( -0.073 0.635 -0.342) 0.725 31.070 ( 2.319 -1.797 0.854) 3.055 37.276 ( -2.178 5.652 -0.924) 6.127 37.365 ( 0.838 3.686 1.266) 3.986 37.747 ( -1.275 8.314 -5.673) 10.146 37.910 ( 3.858 4.403 -4.200) 7.205 38.270 ( -0.223 7.492 5.184) 9.113 38.364 ( -4.536 5.239 7.092) 9.915 39.124 ( -0.522 13.105 0.985) 13.153 39.201 ( 6.152 10.631 5.247) 13.356 39.428 ( -2.860 6.468 -5.431) 8.916 39.799 ( 8.848 6.292 2.776) 11.206 39.909 ( -14.446 2.009 -13.186) 19.662 40.298 ( 5.059 -5.912 4.101) 8.796 40.713 ( -13.606 -3.214 -1.798) 14.096 40.738 ( -2.364 -13.502 3.722) 14.204 42.063 ( 8.762 -1.171 0.695) 8.867 42.192 ( 4.276 -0.508 0.023) 4.306 ======================= Grid point 31 (20/96) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 0.000 3.774 -0.000) 3.774 2.410 ( 0.000 5.377 0.000) 5.377 2.605 ( 0.000 -0.882 -0.000) 0.882 2.763 ( 0.000 2.753 0.000) 2.753 2.982 ( -0.000 10.621 0.000) 10.621 2.987 ( 0.000 1.296 -0.000) 1.296 3.079 ( -0.000 12.826 -0.000) 12.826 3.304 ( 0.000 7.126 0.000) 7.126 3.434 ( 0.000 -0.501 -0.000) 0.501 3.468 ( 0.000 10.284 0.000) 10.284 3.529 ( 0.000 1.321 0.000) 1.321 3.749 ( 0.000 5.087 -0.000) 5.087 3.801 ( 0.000 7.932 0.000) 7.932 4.006 ( -0.000 -4.946 -0.000) 4.946 4.151 ( 0.000 0.952 -0.000) 0.952 4.373 ( 0.000 3.915 0.000) 3.915 4.497 ( 0.000 12.080 0.000) 12.080 4.779 ( 0.000 8.301 -0.000) 8.301 4.818 ( -0.000 -7.192 0.000) 7.192 5.004 ( 0.000 13.961 0.000) 13.961 5.032 ( 0.000 5.581 0.000) 5.581 5.247 ( -0.000 18.552 -0.000) 18.552 5.299 ( 0.000 17.022 0.000) 17.022 5.524 ( 0.000 4.069 0.000) 4.069 5.565 ( 0.000 -10.869 0.000) 10.869 6.050 ( -0.002 -9.238 -0.002) 9.238 6.051 ( 0.002 17.963 0.002) 17.963 6.200 ( 0.000 -3.210 0.000) 3.210 6.403 ( 0.000 2.579 0.000) 2.579 6.730 ( 0.000 2.360 0.000) 2.360 6.803 ( -0.000 8.669 -0.000) 8.669 7.318 ( 0.000 13.672 0.000) 13.672 7.792 ( 0.000 14.575 0.000) 14.575 7.954 ( -0.000 2.369 -0.000) 2.369 8.291 ( 0.000 8.127 0.000) 8.127 8.371 ( -0.000 0.731 -0.000) 0.731 8.682 ( 0.000 -4.648 0.000) 4.648 9.106 ( -0.000 -3.597 -0.000) 3.597 9.195 ( 0.000 10.545 -0.000) 10.545 9.259 ( 0.000 18.517 -0.000) 18.517 9.327 ( 0.000 15.913 0.000) 15.913 9.544 ( 0.000 -1.307 -0.000) 1.307 9.721 ( 0.000 25.945 0.000) 25.945 9.879 ( 0.000 7.495 -0.000) 7.495 10.274 ( 0.000 16.765 0.000) 16.765 10.350 ( 0.000 13.556 -0.000) 13.556 10.508 ( 0.000 6.659 0.000) 6.659 10.524 ( -0.000 7.740 -0.000) 7.740 10.740 ( -0.000 -5.650 -0.000) 5.650 10.762 ( 0.000 -9.125 0.000) 9.125 11.258 ( 0.000 -6.099 -0.000) 6.099 11.363 ( 0.000 7.700 0.000) 7.700 11.716 ( 0.000 -18.798 0.000) 18.798 11.736 ( -0.000 2.505 -0.000) 2.505 11.902 ( 0.000 -10.505 -0.000) 10.505 12.408 ( 0.000 -10.903 0.000) 10.903 12.733 ( 0.000 -8.899 0.000) 8.899 12.944 ( 0.000 -9.167 -0.000) 9.167 13.474 ( 0.000 -16.826 0.000) 16.826 13.679 ( 0.000 -21.872 0.000) 21.872 14.953 ( 0.000 -21.476 -0.000) 21.476 15.137 ( 0.000 -13.153 0.000) 13.153 15.229 ( -0.000 -4.634 -0.000) 4.634 15.287 ( 0.000 -11.302 0.000) 11.302 15.570 ( 0.000 -8.859 -0.000) 8.859 15.590 ( 0.000 -10.487 0.000) 10.487 15.784 ( 0.000 -3.770 0.000) 3.770 16.056 ( 0.000 -12.707 0.000) 12.707 16.342 ( 0.000 -1.504 0.000) 1.504 16.681 ( 0.000 -7.755 -0.000) 7.755 16.906 ( 0.000 2.454 0.000) 2.454 17.197 ( -0.000 -5.939 -0.000) 5.939 17.333 ( 0.000 5.701 0.000) 5.701 17.950 ( 0.000 -4.441 0.000) 4.441 18.282 ( 0.000 13.166 -0.000) 13.166 19.340 ( 0.000 -17.112 0.000) 17.112 19.477 ( -0.000 13.472 -0.000) 13.472 19.796 ( 0.000 5.051 -0.000) 5.051 20.032 ( 0.000 11.033 0.000) 11.033 20.187 ( 0.000 -7.443 0.000) 7.443 20.532 ( -0.000 1.123 0.000) 1.123 20.534 ( 0.000 3.222 0.000) 3.222 20.654 ( 0.000 5.020 0.000) 5.020 21.010 ( 0.000 8.373 -0.000) 8.373 21.069 ( 0.000 -12.458 0.000) 12.458 21.096 ( 0.000 -8.631 -0.000) 8.631 21.279 ( 0.000 -10.894 0.000) 10.894 21.565 ( 0.000 -3.423 0.000) 3.423 21.599 ( 0.000 -2.992 -0.000) 2.992 21.862 ( 0.000 -7.830 0.000) 7.830 21.967 ( 0.000 2.247 -0.000) 2.247 22.242 ( 0.000 -4.680 0.000) 4.680 22.322 ( 0.000 4.136 0.000) 4.136 22.539 ( 0.000 -5.664 -0.000) 5.664 23.181 ( 0.000 11.552 0.000) 11.552 23.297 ( 0.000 2.430 -0.000) 2.430 23.634 ( 0.000 -3.213 0.000) 3.213 23.861 ( 0.000 -1.210 -0.000) 1.210 23.941 ( 0.000 -9.528 -0.000) 9.528 24.137 ( 0.000 -4.784 0.000) 4.784 24.226 ( 0.000 -0.097 -0.000) 0.097 24.425 ( 0.000 -2.399 0.000) 2.399 24.563 ( 0.000 1.779 0.000) 1.779 24.880 ( 0.000 6.986 0.000) 6.986 24.893 ( -0.000 5.613 -0.000) 5.613 25.119 ( 0.000 -16.838 0.000) 16.838 25.567 ( -0.000 -0.602 -0.000) 0.602 25.723 ( 0.000 -3.517 0.000) 3.517 29.335 ( 0.000 10.502 -0.000) 10.502 29.757 ( 0.000 -0.438 0.000) 0.438 29.788 ( 0.000 4.921 0.000) 4.921 30.039 ( 0.000 -2.837 -0.000) 2.837 30.688 ( 0.000 10.706 0.000) 10.706 30.793 ( 0.000 4.748 0.000) 4.748 30.939 ( 0.000 0.635 0.000) 0.635 31.097 ( 0.000 -1.883 0.000) 1.883 37.250 ( 0.000 5.749 0.000) 5.749 37.380 ( 0.000 2.100 0.000) 2.100 37.709 ( 0.000 9.659 -0.000) 9.659 37.932 ( 0.000 3.628 0.000) 3.628 38.316 ( 0.000 5.055 -0.000) 5.055 38.316 ( -0.000 8.759 0.000) 8.759 39.140 ( 0.000 19.111 0.000) 19.111 39.291 ( 0.000 9.455 -0.000) 9.455 39.526 ( -0.000 0.629 -0.000) 0.629 39.533 ( 0.000 6.990 0.000) 6.990 39.923 ( 0.000 5.640 -0.000) 5.640 40.395 ( 0.000 -1.339 0.000) 1.339 40.539 ( 0.000 -4.159 0.000) 4.159 40.727 ( 0.000 -18.208 -0.000) 18.208 42.151 ( 0.000 -2.970 0.000) 2.970 42.230 ( 0.000 -0.050 -0.000) 0.050 ======================= Grid point 35 (21/96) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 0.000 0.694 0.000) 0.694 2.329 ( 0.000 -0.604 0.000) 0.604 2.829 ( 0.000 2.284 0.000) 2.284 2.879 ( 0.000 -1.808 0.000) 1.808 3.013 ( 0.000 7.626 0.000) 7.626 3.126 ( 0.000 -4.999 0.000) 4.999 3.297 ( 0.000 12.641 0.000) 12.641 3.478 ( 0.000 -2.733 0.000) 2.733 3.542 ( 0.000 1.630 0.000) 1.630 3.580 ( 0.000 -3.634 0.000) 3.634 3.628 ( 0.000 8.107 0.000) 8.107 3.773 ( 0.000 -5.148 0.000) 5.148 3.907 ( 0.000 -1.411 0.000) 1.411 3.940 ( 0.000 -3.100 0.000) 3.100 4.017 ( 0.000 12.380 0.000) 12.380 4.174 ( 0.000 -0.784 0.000) 0.784 4.531 ( 0.000 13.348 0.000) 13.348 4.785 ( 0.000 -9.022 0.000) 9.022 4.843 ( 0.000 3.235 0.000) 3.235 4.958 ( 0.000 -7.209 0.000) 7.209 5.120 ( 0.000 -3.827 0.000) 3.827 5.140 ( 0.000 -2.550 0.000) 2.550 5.472 ( 0.000 14.055 0.000) 14.055 5.498 ( 0.000 10.495 0.000) 10.495 5.826 ( 0.000 13.236 0.000) 13.236 5.984 ( 0.000 -9.665 0.000) 9.665 6.005 ( 0.000 6.029 0.000) 6.029 6.251 ( 0.000 -9.964 0.000) 9.964 6.740 ( 0.000 17.626 0.000) 17.626 6.955 ( 0.000 -5.013 0.000) 5.013 7.025 ( 0.000 10.406 0.000) 10.406 7.364 ( 0.000 -18.095 0.000) 18.095 8.091 ( 0.000 10.840 0.000) 10.840 8.099 ( 0.000 11.774 0.000) 11.774 8.323 ( 0.000 -1.880 0.000) 1.880 8.394 ( 0.000 -1.105 0.000) 1.105 8.462 ( 0.000 4.025 0.000) 4.025 8.781 ( 0.000 -17.578 0.000) 17.578 9.239 ( 0.000 2.112 0.000) 2.112 9.280 ( 0.000 -1.463 0.000) 1.463 9.760 ( 0.000 11.326 0.000) 11.326 9.763 ( 0.000 19.440 0.000) 19.440 10.250 ( 0.000 15.692 0.000) 15.692 10.326 ( 0.000 18.061 0.000) 18.061 10.458 ( 0.000 -2.590 0.000) 2.590 10.541 ( 0.000 11.056 0.000) 11.056 10.573 ( 0.000 9.082 0.000) 9.082 10.680 ( 0.000 -9.561 0.000) 9.561 10.780 ( 0.000 -2.406 0.000) 2.406 10.873 ( 0.000 0.879 0.000) 0.879 11.130 ( 0.000 -1.942 0.000) 1.942 11.235 ( 0.000 -0.025 0.000) 0.025 11.654 ( 0.000 -1.850 0.000) 1.850 11.839 ( 0.000 -19.570 0.000) 19.570 11.856 ( 0.000 5.069 0.000) 5.069 12.077 ( 0.000 -12.240 0.000) 12.240 12.726 ( 0.000 8.797 0.000) 8.797 12.803 ( 0.000 -2.061 0.000) 2.061 13.090 ( 0.000 -12.538 0.000) 12.538 13.197 ( 0.000 -18.040 0.000) 18.040 14.683 ( 0.000 -2.034 0.000) 2.034 14.835 ( 0.000 -14.134 0.000) 14.134 15.007 ( 0.000 -4.401 0.000) 4.401 15.017 ( 0.000 -3.958 0.000) 3.958 15.459 ( 0.000 -1.864 0.000) 1.864 15.473 ( 0.000 -2.361 0.000) 2.361 15.805 ( 0.000 2.195 0.000) 2.195 15.891 ( 0.000 -6.562 0.000) 6.562 16.403 ( 0.000 7.171 0.000) 7.171 16.559 ( 0.000 -7.925 0.000) 7.925 16.957 ( 0.000 4.781 0.000) 4.781 17.052 ( 0.000 -4.257 0.000) 4.257 17.594 ( 0.000 9.355 0.000) 9.355 17.807 ( 0.000 -10.206 0.000) 10.206 18.660 ( 0.000 11.319 0.000) 11.319 18.903 ( 0.000 -12.411 0.000) 12.411 19.649 ( 0.000 8.589 0.000) 8.589 19.794 ( 0.000 -8.011 0.000) 8.011 20.072 ( 0.000 1.289 0.000) 1.289 20.092 ( 0.000 0.367 0.000) 0.367 20.561 ( 0.000 1.797 0.000) 1.797 20.598 ( 0.000 -2.274 0.000) 2.274 20.672 ( 0.000 -1.103 0.000) 1.103 20.720 ( 0.000 -6.691 0.000) 6.691 21.072 ( 0.000 1.357 0.000) 1.357 21.150 ( 0.000 -5.832 0.000) 5.832 21.378 ( 0.000 6.293 0.000) 6.293 21.427 ( 0.000 0.227 0.000) 0.227 21.632 ( 0.000 3.194 0.000) 3.194 21.678 ( 0.000 -1.030 0.000) 1.030 21.948 ( 0.000 0.717 0.000) 0.717 22.020 ( 0.000 -6.265 0.000) 6.265 22.215 ( 0.000 10.145 0.000) 10.145 22.502 ( 0.000 -15.527 0.000) 15.527 23.326 ( 0.000 13.942 0.000) 13.942 23.545 ( 0.000 -4.813 0.000) 4.813 23.648 ( 0.000 15.451 0.000) 15.451 23.894 ( 0.000 -10.104 0.000) 10.104 23.987 ( 0.000 -3.907 0.000) 3.907 24.041 ( 0.000 -7.811 0.000) 7.811 24.226 ( 0.000 -1.154 0.000) 1.154 24.250 ( 0.000 -5.314 0.000) 5.314 24.571 ( 0.000 7.598 0.000) 7.598 24.684 ( 0.000 -2.780 0.000) 2.780 25.129 ( 0.000 1.373 0.000) 1.373 25.143 ( 0.000 -0.270 0.000) 0.270 25.524 ( 0.000 0.219 0.000) 0.219 25.553 ( 0.000 -2.619 0.000) 2.619 29.639 ( 0.000 6.932 0.000) 6.932 29.747 ( 0.000 -3.536 0.000) 3.536 29.861 ( 0.000 6.690 0.000) 6.690 29.982 ( 0.000 -4.899 0.000) 4.899 30.774 ( 0.000 7.238 0.000) 7.238 30.871 ( 0.000 0.185 0.000) 0.185 30.939 ( 0.000 -1.173 0.000) 1.173 30.960 ( 0.000 -0.975 0.000) 0.975 37.409 ( 0.000 2.345 0.000) 2.345 37.418 ( 0.000 1.326 0.000) 1.326 37.973 ( 0.000 4.556 0.000) 4.556 38.008 ( 0.000 1.334 0.000) 1.334 38.276 ( 0.000 3.912 0.000) 3.912 38.329 ( 0.000 -1.290 0.000) 1.290 39.380 ( 0.000 4.970 0.000) 4.970 39.388 ( 0.000 1.915 0.000) 1.915 39.437 ( 0.000 9.989 0.000) 9.989 39.659 ( 0.000 -9.932 0.000) 9.932 40.001 ( 0.000 9.732 0.000) 9.732 40.254 ( 0.000 -14.548 0.000) 14.548 40.802 ( 0.000 7.439 0.000) 7.439 40.971 ( 0.000 -9.317 0.000) 9.317 41.870 ( 0.000 8.401 0.000) 8.401 41.997 ( 0.000 -4.094 0.000) 4.094 ======================= Grid point 36 (22/96) ======================= q-point: ( 0.17 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 0.082 0.645 5.777) 5.813 2.359 ( 0.814 -0.717 4.742) 4.864 2.796 ( -1.191 2.539 -7.737) 8.230 2.848 ( -0.766 -1.557 -5.622) 5.884 3.052 ( 2.118 2.699 3.177) 4.676 3.065 ( -1.439 0.750 -3.285) 3.664 3.315 ( 1.145 11.918 -1.307) 12.044 3.463 ( -1.617 0.569 -0.911) 1.941 3.553 ( -0.231 0.642 -1.377) 1.537 3.587 ( -0.863 0.456 3.373) 3.511 3.659 ( -0.387 4.782 5.589) 7.366 3.769 ( 1.016 -0.202 -2.424) 2.636 3.851 ( -3.828 -1.137 2.562) 4.744 3.959 ( -0.786 -6.762 -1.259) 6.923 4.066 ( 4.756 7.818 0.579) 9.169 4.187 ( 4.773 -1.753 -1.096) 5.202 4.628 ( 7.467 9.309 1.462) 12.023 4.775 ( -1.045 -3.742 2.232) 4.480 4.842 ( -0.513 6.877 2.903) 7.482 4.946 ( -3.015 -2.150 1.597) 4.033 5.174 ( 3.275 -2.727 -2.456) 4.918 5.188 ( 2.895 -3.144 1.865) 4.663 5.408 ( 2.302 10.463 1.894) 10.879 5.579 ( 3.612 -1.017 -0.095) 3.754 5.752 ( -3.919 12.485 -4.961) 13.995 5.911 ( -4.178 -5.968 -1.460) 7.429 5.996 ( -1.633 8.733 2.354) 9.191 6.193 ( -3.783 -7.337 -3.950) 9.151 6.756 ( -0.237 2.315 1.804) 2.944 6.844 ( -6.850 -5.765 -2.013) 9.177 7.196 ( 13.413 18.520 8.123) 24.267 7.432 ( -3.299 0.356 -4.933) 5.945 7.837 ( -4.300 0.917 0.249) 4.404 7.940 ( -14.977 -6.382 -7.717) 18.016 8.447 ( 10.656 9.902 5.014) 15.387 8.515 ( 2.720 12.407 1.328) 12.771 8.660 ( 9.633 -8.819 6.278) 14.491 8.792 ( -0.007 -12.670 0.434) 12.678 9.209 ( -2.100 3.919 -0.433) 4.468 9.253 ( -0.171 -1.058 0.834) 1.358 9.764 ( 0.960 13.737 -3.362) 14.175 9.783 ( 1.807 12.402 -1.300) 12.600 10.280 ( 0.592 10.452 -0.304) 10.473 10.319 ( 0.244 15.799 2.839) 16.054 10.436 ( -3.643 3.725 -4.572) 6.932 10.491 ( -4.967 2.057 -3.280) 6.298 10.555 ( 2.077 8.888 2.897) 9.576 10.680 ( -0.560 1.505 1.304) 2.069 10.746 ( -2.470 1.692 0.122) 2.997 10.749 ( -6.361 3.492 -6.554) 9.778 11.166 ( 4.562 -9.522 1.577) 10.676 11.300 ( 1.929 -7.907 0.596) 8.161 11.651 ( 0.335 1.359 -0.171) 1.410 11.779 ( -4.838 6.299 -4.648) 9.202 11.831 ( -1.991 -11.944 0.942) 12.145 12.052 ( -1.790 -13.742 -0.832) 13.883 12.752 ( 1.117 4.060 2.139) 4.723 12.787 ( -1.130 -0.350 0.650) 1.350 13.103 ( 0.377 -12.625 1.927) 12.777 13.214 ( 0.473 -18.449 2.074) 18.572 14.773 ( 7.203 0.585 4.267) 8.393 14.897 ( -0.364 -5.187 -1.940) 5.550 14.978 ( 2.979 -7.950 3.086) 9.034 15.038 ( -0.476 -8.985 0.182) 9.000 15.442 ( -0.033 -2.732 -1.003) 2.910 15.468 ( -0.399 -4.138 -1.325) 4.363 15.780 ( -1.234 1.178 -0.929) 1.943 15.839 ( -3.761 -5.064 -2.845) 6.919 16.424 ( 2.758 4.017 0.938) 4.962 16.521 ( -2.508 -5.465 -2.785) 6.627 17.023 ( 4.846 4.482 2.547) 7.075 17.096 ( 1.732 -2.596 -0.343) 3.140 17.560 ( -0.665 6.233 -0.216) 6.272 17.675 ( -7.934 -4.245 -6.474) 11.085 18.769 ( 6.327 0.919 5.674) 8.548 18.835 ( -5.027 -5.556 -3.729) 8.369 19.740 ( 4.833 3.353 4.549) 7.436 19.789 ( -0.183 -3.223 -0.223) 3.236 20.051 ( -1.688 3.866 -0.192) 4.222 20.104 ( 1.170 -0.122 1.131) 1.632 20.569 ( 0.820 3.300 0.785) 3.490 20.617 ( 1.368 -0.685 -2.210) 2.688 20.700 ( 0.439 -5.298 2.039) 5.694 20.740 ( 3.127 -5.282 2.475) 6.619 20.987 ( -5.262 3.122 -1.407) 6.278 21.069 ( -5.307 -4.081 -1.405) 6.840 21.411 ( -0.550 3.442 -1.028) 3.634 21.473 ( 5.138 -2.575 2.655) 6.331 21.593 ( -3.485 5.085 2.003) 6.482 21.695 ( -1.882 -4.421 2.045) 5.222 21.969 ( 3.010 -1.923 -2.835) 4.561 21.980 ( 1.700 -2.628 -4.047) 5.116 22.334 ( 6.914 8.429 5.331) 12.135 22.548 ( 1.603 -10.399 1.645) 10.650 23.250 ( -1.543 10.601 -6.798) 12.688 23.398 ( -5.459 -0.350 -9.278) 10.771 23.725 ( 2.613 4.869 1.478) 5.720 23.853 ( -2.061 -8.305 -4.724) 9.774 23.995 ( -0.164 0.856 -0.091) 0.876 24.095 ( 1.766 -7.000 1.110) 7.305 24.226 ( -0.688 0.662 2.675) 2.840 24.273 ( 0.589 -4.471 4.905) 6.663 24.578 ( 0.068 6.010 2.569) 6.537 24.702 ( 0.702 -4.785 3.043) 5.714 25.054 ( -4.566 2.979 -2.491) 5.994 25.094 ( -4.096 -1.658 -1.797) 4.770 25.557 ( 1.870 0.713 1.336) 2.406 25.593 ( 2.420 -2.828 1.793) 4.132 29.615 ( -2.105 7.426 -0.770) 7.757 29.735 ( -1.381 -4.141 0.180) 4.369 29.859 ( 0.242 6.923 -0.084) 6.927 29.985 ( 0.080 -5.112 -0.179) 5.115 30.804 ( 2.487 7.379 0.905) 7.840 30.884 ( 0.845 2.270 -0.029) 2.422 30.941 ( 0.154 -1.562 -0.391) 1.618 30.964 ( 1.038 -2.749 -0.023) 2.939 37.400 ( -1.189 2.230 -0.466) 2.569 37.410 ( -0.175 1.276 -0.723) 1.477 37.939 ( -0.614 3.882 -5.877) 7.070 37.968 ( 0.112 1.200 -5.792) 5.916 38.333 ( 0.907 4.147 8.069) 9.118 38.379 ( -0.050 -0.355 9.446) 9.452 39.262 ( -3.100 4.579 -0.481) 5.551 39.301 ( -4.751 0.671 -1.830) 5.135 39.632 ( 11.351 11.216 3.237) 16.282 39.804 ( 9.245 -2.495 0.148) 9.577 39.947 ( -2.333 3.670 -1.901) 4.746 40.162 ( -5.122 -13.258 -10.385) 17.603 40.731 ( -9.198 4.991 4.717) 11.478 40.861 ( -11.301 -7.162 1.392) 13.452 41.956 ( 7.788 6.018 0.185) 9.844 42.057 ( 5.689 -3.540 -0.036) 6.700 ======================= Grid point 37 (23/96) ======================= q-point: ( 0.33 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 0.267 0.798 8.951) 8.990 2.424 ( 0.683 -0.379 6.595) 6.641 2.674 ( -2.070 3.540 -10.613) 11.377 2.761 ( -1.382 -4.415 -8.709) 9.861 3.072 ( 3.433 5.154 -0.945) 6.265 3.126 ( 3.931 0.394 0.600) 3.996 3.298 ( -3.465 9.055 -0.480) 9.707 3.387 ( -4.254 2.869 -1.324) 5.300 3.522 ( -3.189 3.291 -1.182) 4.733 3.556 ( -1.010 1.079 -0.276) 1.503 3.690 ( -0.443 6.147 3.463) 7.069 3.758 ( -1.312 -2.397 -0.055) 2.734 3.859 ( 1.569 -2.622 2.322) 3.837 3.904 ( -2.534 -2.274 -0.555) 3.450 4.168 ( 4.133 5.382 1.804) 7.021 4.304 ( 5.130 -6.152 -0.354) 8.018 4.703 ( 2.066 6.900 1.668) 7.393 4.771 ( -1.619 0.845 0.881) 2.027 4.865 ( -3.547 5.321 -0.949) 6.465 5.038 ( 14.273 1.195 8.405) 16.607 5.140 ( -2.747 -2.461 -4.529) 5.841 5.206 ( 0.194 -2.560 -4.140) 4.871 5.560 ( 8.374 11.600 4.985) 15.151 5.588 ( -0.979 10.859 -0.584) 10.918 5.792 ( 2.144 -4.910 6.213) 8.204 5.867 ( 3.233 -3.689 -0.846) 4.978 5.964 ( -3.595 5.475 2.542) 7.026 6.159 ( 2.900 -6.802 0.831) 7.441 6.671 ( -8.027 4.554 -4.906) 10.452 6.781 ( -3.224 -4.241 0.535) 5.354 7.102 ( -12.501 14.785 -10.123) 21.849 7.381 ( -2.348 -6.074 -3.987) 7.636 7.801 ( 7.919 12.074 10.131) 17.639 8.053 ( 10.734 -7.496 11.514) 17.435 8.387 ( -8.324 8.739 -9.539) 15.383 8.565 ( -8.395 -5.493 -9.567) 13.863 8.641 ( 2.174 8.285 1.626) 8.719 8.898 ( 1.727 -12.980 1.757) 13.212 9.239 ( 3.864 6.785 3.980) 8.764 9.332 ( 4.501 -2.313 5.463) 7.447 9.720 ( -1.482 13.557 -4.918) 14.498 9.758 ( -1.915 7.989 -5.248) 9.748 10.218 ( -4.754 15.513 -1.012) 16.257 10.279 ( -5.299 14.815 -6.603) 17.063 10.373 ( 3.457 0.472 5.534) 6.542 10.486 ( 2.330 -3.717 0.046) 4.388 10.604 ( -2.941 0.134 -1.246) 3.197 10.632 ( -0.992 -5.428 -1.978) 5.861 10.671 ( 0.754 17.347 3.598) 17.732 10.794 ( 5.794 11.508 4.329) 13.592 11.248 ( 1.167 -8.074 -0.189) 8.160 11.327 ( 3.167 -10.767 -0.142) 11.224 11.553 ( -7.694 7.215 -4.657) 11.530 11.744 ( 1.639 0.515 -1.235) 2.116 11.781 ( -3.054 -4.585 1.464) 5.700 12.022 ( -0.865 -19.716 -0.319) 19.738 12.735 ( -1.771 4.976 0.263) 5.289 12.836 ( 2.231 1.963 2.860) 4.124 13.126 ( 0.197 -14.192 2.032) 14.338 13.233 ( -0.006 -19.191 1.315) 19.236 14.776 ( -5.274 0.696 -5.091) 7.363 14.905 ( -0.999 -8.460 -1.951) 8.739 15.024 ( 3.368 -3.900 3.045) 5.985 15.102 ( 3.579 -9.270 3.065) 10.398 15.442 ( 0.643 -3.022 -0.870) 3.210 15.467 ( 0.719 -5.121 -0.309) 5.181 15.770 ( -1.015 -0.576 -0.701) 1.361 15.793 ( 2.389 -3.224 2.120) 4.538 16.443 ( -2.636 1.586 -3.275) 4.493 16.499 ( 3.075 -3.606 1.469) 4.961 17.037 ( -3.937 3.215 -4.494) 6.785 17.096 ( 0.779 -1.798 -1.259) 2.329 17.529 ( -2.198 6.665 -1.097) 7.103 17.662 ( 7.207 -4.600 5.458) 10.143 18.683 ( -6.991 7.255 -4.691) 11.113 18.902 ( 3.646 -13.456 2.927) 14.245 19.724 ( -2.923 4.600 -2.235) 5.890 19.824 ( -0.860 -4.766 -0.491) 4.868 20.071 ( 2.632 6.807 4.458) 8.552 20.150 ( 1.717 -0.398 1.526) 2.332 20.573 ( -0.125 2.394 -1.848) 3.027 20.611 ( 0.028 2.006 -1.966) 2.809 20.706 ( 0.344 -0.625 0.627) 0.950 20.833 ( 1.308 -9.209 3.427) 9.913 20.957 ( 1.310 1.973 2.746) 3.626 21.026 ( 1.535 -2.841 3.385) 4.678 21.359 ( -3.006 9.535 -3.873) 10.722 21.546 ( -1.306 0.192 0.176) 1.332 21.572 ( 1.317 -3.614 2.209) 4.436 21.642 ( -3.518 -9.360 0.755) 10.028 21.994 ( 3.533 1.929 -1.226) 4.207 22.061 ( 5.606 -4.296 0.421) 7.075 22.451 ( 1.774 2.697 1.035) 3.390 22.496 ( -5.800 -0.814 -3.990) 7.086 23.271 ( 5.293 4.115 -1.064) 6.788 23.310 ( 4.564 1.936 -2.353) 5.488 23.700 ( -5.783 -0.032 -4.679) 7.439 23.774 ( -1.572 -6.767 -2.640) 7.432 23.960 ( -2.065 4.704 -2.266) 5.615 24.079 ( -2.082 -5.513 -1.260) 6.026 24.241 ( -0.259 3.292 2.654) 4.237 24.326 ( 0.365 -4.646 3.303) 5.712 24.614 ( 0.779 4.738 3.005) 5.664 24.763 ( 2.082 -8.899 4.666) 10.262 24.982 ( -1.655 2.925 -0.255) 3.370 25.009 ( -3.119 -0.515 -1.499) 3.499 25.585 ( 0.443 1.616 0.149) 1.682 25.636 ( 0.941 -3.398 0.827) 3.622 29.567 ( -1.988 8.785 -0.829) 9.045 29.710 ( -1.285 -5.001 0.216) 5.168 29.873 ( 0.981 5.672 0.219) 5.760 29.979 ( -0.453 -4.513 -0.234) 4.542 30.858 ( 2.010 7.520 0.955) 7.842 30.888 ( 0.206 4.245 -0.888) 4.342 30.935 ( -0.149 -1.329 -0.471) 1.418 31.001 ( 2.063 -4.999 0.659) 5.448 37.365 ( -1.475 3.117 -1.136) 3.631 37.399 ( -0.466 -0.158 -0.544) 0.733 37.887 ( -0.104 5.168 -4.058) 6.571 37.947 ( 1.619 -0.696 -3.638) 4.042 38.393 ( -0.908 4.294 5.920) 7.369 38.430 ( -2.185 0.832 6.466) 6.876 39.280 ( 2.712 4.063 4.096) 6.375 39.313 ( 5.700 0.869 5.712) 8.117 39.676 ( -5.250 15.078 -11.308) 19.565 39.884 ( -8.946 -2.278 -7.735) 12.044 39.928 ( 9.127 4.061 -1.633) 10.122 40.115 ( 10.379 -11.963 3.856) 16.300 40.576 ( -10.843 -0.360 2.225) 11.075 40.641 ( -12.735 -4.808 1.034) 13.651 42.093 ( 6.000 3.235 0.312) 6.823 42.159 ( 4.637 -2.729 0.130) 5.383 ======================= Grid point 38 (24/96) ======================= q-point: (-0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 0.000 1.787 0.000) 1.787 2.469 ( 0.000 0.818 0.000) 0.818 2.608 ( 0.000 2.218 -0.000) 2.218 2.703 ( 0.000 -6.143 -0.000) 6.143 3.120 ( 0.000 8.393 0.000) 8.393 3.176 ( -0.000 5.023 0.000) 5.023 3.231 ( 0.000 4.774 0.000) 4.774 3.329 ( 0.000 -4.906 -0.000) 4.906 3.481 ( -0.000 7.878 0.000) 7.878 3.549 ( 0.000 -0.132 0.000) 0.132 3.697 ( 0.000 6.917 -0.000) 6.917 3.748 ( 0.000 -2.200 0.000) 2.200 3.878 ( 0.000 -0.044 0.000) 0.044 3.888 ( 0.000 -4.458 -0.000) 4.458 4.213 ( 0.000 5.127 -0.000) 5.127 4.335 ( 0.000 -5.742 0.000) 5.742 4.740 ( 0.000 1.199 0.000) 1.199 4.788 ( -0.000 -3.097 -0.000) 3.097 4.806 ( 0.000 16.409 0.000) 16.409 5.088 ( 0.000 -2.244 -0.000) 2.244 5.170 ( 0.000 2.271 0.000) 2.271 5.255 ( -0.000 -14.427 0.000) 14.427 5.641 ( 0.000 10.985 0.000) 10.985 5.696 ( 0.000 16.171 0.000) 16.171 5.722 ( 0.000 15.415 -0.000) 15.415 5.900 ( 0.000 0.493 -0.000) 0.493 6.019 ( -0.000 -12.758 -0.000) 12.758 6.213 ( 0.000 -13.927 0.000) 13.927 6.471 ( 0.000 17.235 0.000) 17.235 6.760 ( 0.000 -10.151 0.000) 10.151 6.943 ( 0.000 17.523 -0.000) 17.523 7.340 ( 0.000 -15.704 0.000) 15.704 8.069 ( 0.000 11.972 0.000) 11.972 8.087 ( -0.000 13.752 -0.000) 13.752 8.334 ( 0.000 -4.679 0.000) 4.679 8.362 ( -0.000 -1.811 -0.000) 1.811 8.656 ( 0.000 3.769 0.000) 3.769 8.882 ( -0.000 -16.091 -0.000) 16.091 9.311 ( 0.000 4.787 -0.000) 4.787 9.410 ( 0.000 -4.546 0.000) 4.546 9.671 ( -0.000 11.457 0.000) 11.457 9.703 ( 0.000 13.699 0.000) 13.699 10.186 ( 0.000 16.954 -0.000) 16.954 10.192 ( 0.000 18.418 0.000) 18.418 10.465 ( 0.000 1.908 0.000) 1.908 10.491 ( 0.000 -7.568 -0.000) 7.568 10.535 ( 0.000 -3.896 0.000) 3.896 10.619 ( 0.000 -4.361 -0.000) 4.361 10.722 ( 0.000 15.891 0.000) 15.891 10.908 ( 0.000 10.499 -0.000) 10.499 11.234 ( -0.000 5.390 -0.000) 5.390 11.348 ( 0.000 -5.736 0.000) 5.736 11.464 ( 0.000 -0.584 0.000) 0.584 11.713 ( 0.000 -8.206 0.000) 8.206 11.794 ( 0.000 0.570 -0.000) 0.570 12.012 ( 0.000 -23.815 -0.000) 23.815 12.720 ( 0.000 9.446 -0.000) 9.446 12.870 ( 0.000 2.982 0.000) 2.982 13.138 ( 0.000 -15.663 0.000) 15.663 13.238 ( 0.000 -19.425 -0.000) 19.425 14.698 ( 0.000 -1.719 0.000) 1.719 14.838 ( 0.000 -13.166 0.000) 13.166 15.118 ( 0.000 -4.399 0.000) 4.399 15.130 ( 0.000 -4.744 0.000) 4.744 15.455 ( 0.000 -2.456 0.000) 2.456 15.460 ( 0.000 -2.829 0.000) 2.829 15.768 ( 0.000 1.339 0.000) 1.339 15.844 ( 0.000 -6.843 0.000) 6.843 16.400 ( 0.000 5.653 0.000) 5.653 16.533 ( 0.000 -6.991 -0.000) 6.991 16.973 ( 0.000 4.022 0.000) 4.022 17.074 ( 0.000 -5.919 -0.000) 5.919 17.526 ( 0.000 12.376 0.000) 12.376 17.783 ( 0.000 -11.623 0.000) 11.623 18.577 ( 0.000 16.332 -0.000) 16.332 18.946 ( 0.000 -19.867 0.000) 19.867 19.679 ( 0.000 7.318 0.000) 7.318 19.799 ( 0.000 -4.401 -0.000) 4.401 20.135 ( -0.000 2.163 -0.000) 2.163 20.164 ( 0.000 1.529 0.000) 1.529 20.562 ( 0.000 2.326 -0.000) 2.326 20.599 ( 0.000 1.480 0.000) 1.480 20.716 ( 0.000 1.945 0.000) 1.945 20.847 ( 0.000 -9.490 0.000) 9.490 21.001 ( 0.000 1.696 -0.000) 1.696 21.104 ( 0.000 -7.006 -0.000) 7.006 21.281 ( 0.000 17.265 0.000) 17.265 21.544 ( 0.000 0.300 0.000) 0.300 21.551 ( -0.000 -2.226 -0.000) 2.226 21.637 ( 0.000 -14.186 0.000) 14.186 22.033 ( 0.000 4.275 0.000) 4.275 22.138 ( 0.000 -5.754 0.000) 5.754 22.389 ( 0.000 2.837 -0.000) 2.837 22.450 ( 0.000 -3.446 -0.000) 3.446 23.318 ( 0.000 7.028 -0.000) 7.028 23.499 ( 0.000 -9.363 0.000) 9.363 23.503 ( -0.000 12.724 -0.000) 12.724 23.737 ( 0.000 -10.544 0.000) 10.544 23.925 ( 0.000 6.299 0.000) 6.299 24.049 ( 0.000 -4.915 -0.000) 4.915 24.252 ( 0.000 2.758 -0.000) 2.758 24.338 ( 0.000 -5.171 0.000) 5.171 24.636 ( 0.000 5.553 0.000) 5.553 24.811 ( -0.000 -12.207 -0.000) 12.207 24.972 ( 0.000 2.218 0.000) 2.218 24.973 ( -0.000 2.041 -0.000) 2.041 25.586 ( -0.000 2.071 -0.000) 2.071 25.646 ( 0.000 -3.674 0.000) 3.674 29.544 ( 0.000 9.485 -0.000) 9.485 29.698 ( 0.000 -5.453 0.000) 5.453 29.886 ( 0.000 4.644 0.000) 4.644 29.972 ( 0.000 -3.802 -0.000) 3.802 30.880 ( 0.000 3.624 -0.000) 3.624 30.885 ( 0.000 8.500 0.000) 8.500 30.932 ( 0.000 -1.412 -0.000) 1.412 31.025 ( 0.000 -5.229 0.000) 5.229 37.344 ( 0.000 3.569 -0.000) 3.569 37.391 ( 0.000 -0.966 0.000) 0.966 37.871 ( 0.000 6.116 -0.000) 6.116 37.950 ( 0.000 -1.653 0.000) 1.653 38.409 ( 0.000 3.334 -0.000) 3.334 38.425 ( 0.000 2.120 0.000) 2.120 39.420 ( 0.000 3.937 0.000) 3.937 39.434 ( -0.000 6.171 -0.000) 6.171 39.549 ( 0.000 4.340 0.000) 4.340 39.623 ( -0.000 0.762 0.000) 0.762 40.066 ( 0.000 8.802 -0.000) 8.802 40.307 ( 0.000 -14.844 0.000) 14.844 40.406 ( -0.000 2.885 -0.000) 2.885 40.506 ( 0.000 -6.392 0.000) 6.392 42.151 ( 0.000 2.193 0.000) 2.193 42.204 ( 0.000 -2.319 -0.000) 2.319 ======================= Grid point 77 (25/96) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -6.981 0.000 32.937) 33.669 0.822 ( 16.483 0.000 42.809) 45.872 1.052 ( 24.539 0.000 52.535) 57.983 2.052 ( -2.208 0.000 1.378) 2.603 2.116 ( 8.154 0.000 -4.216) 9.179 2.377 ( -7.404 0.000 -18.231) 19.677 2.712 ( 12.629 0.000 -7.640) 14.760 2.861 ( -2.985 0.000 -19.097) 19.329 2.966 ( 5.021 0.000 -2.480) 5.600 2.991 ( -0.580 0.000 1.055) 1.204 3.172 ( -4.235 0.000 5.601) 7.022 3.177 ( -11.173 0.000 7.359) 13.378 3.343 ( 2.784 0.000 -0.738) 2.880 3.414 ( 0.091 0.000 7.035) 7.035 3.571 ( 9.715 0.000 8.132) 12.669 3.581 ( -11.039 0.000 5.536) 12.350 3.908 ( 8.497 0.000 -4.608) 9.666 4.096 ( 1.816 0.000 3.251) 3.724 4.104 ( 2.838 0.000 -4.157) 5.033 4.458 ( -6.009 0.000 -10.333) 11.954 4.659 ( -3.315 0.000 -4.804) 5.837 4.713 ( -1.180 0.000 4.941) 5.080 4.784 ( -5.944 0.000 -4.196) 7.276 5.160 ( -9.313 0.000 -2.394) 9.616 5.238 ( 1.433 0.000 7.273) 7.413 5.455 ( 18.309 0.000 12.860) 22.374 5.913 ( -28.422 0.000 -20.022) 34.767 6.017 ( -3.730 0.000 -6.710) 7.677 6.283 ( -22.937 0.000 -8.764) 24.554 6.331 ( -15.637 0.000 -12.615) 20.090 6.463 ( 24.045 0.000 16.473) 29.146 6.816 ( 12.528 0.000 8.077) 14.906 6.909 ( 4.267 0.000 7.660) 8.769 7.244 ( 2.146 0.000 3.508) 4.112 7.836 ( -12.116 0.000 -15.300) 19.516 8.101 ( -14.303 0.000 -12.591) 19.056 8.530 ( 5.825 0.000 10.034) 11.602 8.611 ( 3.767 0.000 6.285) 7.327 9.017 ( -1.967 0.000 1.841) 2.694 9.339 ( 0.849 0.000 0.427) 0.950 9.399 ( 8.490 0.000 -2.162) 8.761 9.402 ( -9.505 0.000 -5.211) 10.840 9.477 ( 3.307 0.000 0.739) 3.388 9.600 ( 8.010 0.000 7.460) 10.946 9.821 ( 2.227 0.000 1.048) 2.461 10.246 ( -0.474 0.000 2.023) 2.078 10.392 ( 1.496 0.000 -0.019) 1.496 10.532 ( -14.394 0.000 -14.676) 20.556 11.232 ( 10.175 0.000 9.719) 14.071 11.414 ( 2.632 0.000 5.303) 5.921 11.570 ( -5.895 0.000 -4.125) 7.195 11.824 ( -1.063 0.000 0.003) 1.063 11.952 ( -12.489 0.000 -6.601) 14.126 11.991 ( -1.162 0.000 -1.796) 2.139 12.154 ( 13.261 0.000 8.351) 15.671 12.340 ( 6.841 0.000 7.306) 10.009 13.268 ( -5.056 0.000 -2.721) 5.742 13.306 ( -0.427 0.000 -3.064) 3.093 14.342 ( 3.558 0.000 1.043) 3.707 14.554 ( -10.281 0.000 -5.240) 11.540 15.080 ( 5.957 0.000 4.908) 7.718 15.404 ( -4.555 0.000 -4.732) 6.568 15.820 ( 1.489 0.000 3.750) 4.035 15.997 ( 1.406 0.000 -1.673) 2.185 16.342 ( 10.529 0.000 2.053) 10.727 16.441 ( -2.614 0.000 -0.570) 2.675 16.513 ( 1.214 0.000 1.753) 2.132 16.676 ( 4.931 0.000 -2.822) 5.681 16.932 ( -0.775 0.000 -0.142) 0.788 17.006 ( 2.129 0.000 -0.782) 2.268 17.563 ( 0.335 0.000 3.536) 3.551 17.734 ( -0.873 0.000 -2.329) 2.488 17.775 ( 0.549 0.000 1.125) 1.252 17.879 ( 0.908 0.000 -0.513) 1.043 18.361 ( 3.540 0.000 1.868) 4.002 18.482 ( -0.990 0.000 -2.375) 2.573 18.701 ( 20.847 0.000 4.629) 21.354 19.192 ( -5.626 0.000 -0.711) 5.671 19.306 ( -7.519 0.000 -6.245) 9.774 19.393 ( -2.528 0.000 -2.260) 3.391 20.413 ( -0.153 0.000 0.361) 0.392 20.423 ( 0.121 0.000 0.180) 0.217 21.015 ( 5.784 0.000 2.297) 6.223 21.186 ( 0.139 0.000 2.463) 2.467 21.233 ( -11.725 0.000 -3.402) 12.208 21.296 ( 6.980 0.000 -0.090) 6.981 21.742 ( 2.676 0.000 -0.407) 2.707 21.797 ( -6.499 0.000 -3.868) 7.563 22.028 ( -10.199 0.000 7.226) 12.499 22.170 ( 3.675 0.000 1.910) 4.141 22.663 ( 28.083 0.000 0.215) 28.084 22.829 ( -6.856 0.000 -5.389) 8.720 23.036 ( 4.414 0.000 5.477) 7.034 23.121 ( 2.114 0.000 2.367) 3.174 23.276 ( 0.982 0.000 1.457) 1.757 23.481 ( 6.272 0.000 -3.102) 6.997 23.855 ( -5.704 0.000 -2.947) 6.421 23.884 ( 0.081 0.000 -6.460) 6.460 23.957 ( 0.323 0.000 0.879) 0.937 23.989 ( -3.485 0.000 -0.352) 3.503 24.265 ( -2.656 0.000 1.540) 3.071 24.444 ( 24.582 0.000 10.935) 26.904 24.493 ( -3.946 0.000 -3.546) 5.305 24.596 ( 10.564 0.000 1.739) 10.706 24.882 ( -1.620 0.000 1.851) 2.460 24.964 ( -28.159 0.000 -2.500) 28.270 25.296 ( 1.564 0.000 3.307) 3.658 25.709 ( -2.430 0.000 -6.550) 6.987 29.123 ( -2.542 0.000 -0.318) 2.562 29.185 ( 0.217 0.000 -2.260) 2.270 29.722 ( 4.783 0.000 1.673) 5.067 29.774 ( -17.444 0.000 1.129) 17.480 30.510 ( -14.779 0.000 -0.819) 14.802 30.551 ( 0.923 0.000 -1.458) 1.725 30.885 ( -0.359 0.000 2.294) 2.322 31.024 ( -0.259 0.000 -1.223) 1.250 36.734 ( 0.772 0.000 2.619) 2.731 36.953 ( -0.014 0.000 -3.311) 3.311 37.103 ( 0.282 0.000 3.258) 3.270 37.371 ( 0.628 0.000 -2.277) 2.362 37.746 ( -29.032 0.000 0.124) 29.032 37.792 ( 4.966 0.000 -0.065) 4.966 38.013 ( 0.476 0.000 2.011) 2.067 38.068 ( -1.502 0.000 0.316) 1.535 39.240 ( 2.422 0.000 -0.928) 2.593 39.268 ( -2.317 0.000 -2.065) 3.103 40.454 ( -9.483 0.000 3.936) 10.267 40.532 ( 115.427 0.000 0.406) 115.428 40.962 ( -8.837 0.000 4.189) 9.779 41.566 ( 39.995 0.000 -10.966) 41.471 41.920 ( -1.715 0.000 3.123) 3.562 41.949 ( 1.699 0.000 0.643) 1.817 ======================= Grid point 78 (26/96) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 5.793 0.000 22.088) 22.835 1.501 ( 16.445 0.000 36.146) 39.712 2.016 ( -1.543 0.000 0.442) 1.605 2.058 ( -3.558 0.000 -25.296) 25.545 2.169 ( 2.868 0.000 -9.591) 10.011 2.208 ( 39.029 0.000 29.810) 49.111 2.539 ( -5.307 0.000 -24.242) 24.816 2.855 ( 3.933 0.000 -2.216) 4.514 2.907 ( -8.847 0.000 -1.584) 8.988 2.936 ( -6.535 0.000 -0.250) 6.540 3.074 ( -8.392 0.000 8.121) 11.677 3.238 ( 9.998 0.000 4.825) 11.102 3.240 ( -2.051 0.000 1.680) 2.651 3.401 ( -14.027 0.000 1.946) 14.161 3.551 ( 5.530 0.000 10.146) 11.555 3.718 ( 1.391 0.000 1.006) 1.717 3.986 ( 1.099 0.000 1.675) 2.003 4.100 ( 1.179 0.000 -5.757) 5.877 4.143 ( -5.100 0.000 -18.924) 19.599 4.150 ( -0.816 0.000 1.717) 1.901 4.582 ( -1.327 0.000 -3.147) 3.415 4.776 ( -2.537 0.000 9.527) 9.859 4.910 ( 11.852 0.000 13.524) 17.982 5.019 ( 1.062 0.000 -6.067) 6.159 5.384 ( 4.213 0.000 9.941) 10.797 5.449 ( -2.962 0.000 0.342) 2.982 5.754 ( -15.143 0.000 -9.269) 17.755 5.800 ( 2.963 0.000 4.976) 5.791 6.139 ( 7.878 0.000 -6.950) 10.506 6.150 ( -0.960 0.000 -0.036) 0.960 6.909 ( -11.464 0.000 -7.691) 13.805 7.003 ( 7.938 0.000 5.471) 9.641 7.083 ( -14.620 0.000 -16.834) 22.297 7.091 ( 17.752 0.000 13.454) 22.274 7.653 ( -16.895 0.000 -12.698) 21.135 7.716 ( 10.964 0.000 10.135) 14.931 8.647 ( -4.558 0.000 2.286) 5.100 8.673 ( -1.084 0.000 5.260) 5.370 9.050 ( 3.681 0.000 6.083) 7.110 9.169 ( -8.080 0.000 -8.659) 11.843 9.308 ( -4.712 0.000 -2.161) 5.184 9.481 ( 2.963 0.000 -1.337) 3.251 9.530 ( -0.070 0.000 1.294) 1.296 9.754 ( 2.899 0.000 -4.365) 5.240 10.019 ( 14.546 0.000 15.354) 21.150 10.119 ( -12.400 0.000 -10.415) 16.194 10.245 ( -1.939 0.000 2.140) 2.888 10.438 ( 2.846 0.000 -2.301) 3.660 11.349 ( -11.818 0.000 -5.730) 13.134 11.458 ( 7.329 0.000 5.636) 9.246 11.561 ( 5.286 0.000 10.511) 11.765 11.663 ( -11.146 0.000 -7.600) 13.490 11.821 ( -2.223 0.000 1.260) 2.555 12.022 ( 5.018 0.000 1.360) 5.199 12.405 ( -1.203 0.000 -4.233) 4.401 12.497 ( 11.998 0.000 4.330) 12.756 13.131 ( -6.265 0.000 -0.908) 6.330 13.254 ( -1.302 0.000 -0.622) 1.443 14.342 ( -7.650 0.000 -4.155) 8.706 14.470 ( 7.468 0.000 4.328) 8.632 15.249 ( -6.460 0.000 -6.307) 9.028 15.265 ( 8.266 0.000 5.510) 9.935 15.870 ( 0.911 0.000 2.563) 2.721 16.002 ( -0.034 0.000 -2.993) 2.993 16.322 ( -8.752 0.000 -2.807) 9.191 16.419 ( 1.123 0.000 3.450) 3.628 16.558 ( 1.720 0.000 2.369) 2.928 16.606 ( -3.978 0.000 -3.890) 5.564 16.958 ( 3.506 0.000 1.030) 3.655 17.014 ( -1.590 0.000 -1.468) 2.164 17.647 ( 5.036 0.000 3.149) 5.939 17.770 ( 2.565 0.000 1.200) 2.831 17.806 ( 1.715 0.000 2.450) 2.990 17.883 ( 1.910 0.000 -5.067) 5.415 18.423 ( -2.865 0.000 -3.612) 4.610 18.445 ( 2.518 0.000 -0.175) 2.524 18.860 ( -18.422 0.000 -13.029) 22.564 19.021 ( 13.193 0.000 11.652) 17.602 19.226 ( -1.874 0.000 0.742) 2.016 19.405 ( 3.821 0.000 -2.301) 4.460 20.403 ( -1.056 0.000 0.458) 1.151 20.418 ( -0.777 0.000 0.247) 0.815 20.969 ( -13.401 0.000 -3.979) 13.979 21.099 ( -0.463 0.000 4.402) 4.426 21.269 ( 6.474 0.000 2.180) 6.831 21.313 ( -5.120 0.000 0.166) 5.123 21.717 ( 1.864 0.000 -2.247) 2.920 21.815 ( 5.096 0.000 1.785) 5.399 21.931 ( -5.513 0.000 6.334) 8.397 22.279 ( 4.249 0.000 3.341) 5.405 22.590 ( -12.414 0.000 -10.408) 16.200 22.830 ( 0.072 0.000 5.664) 5.665 23.140 ( 1.970 0.000 2.803) 3.426 23.148 ( -3.469 0.000 -2.224) 4.120 23.347 ( 4.195 0.000 3.926) 5.745 23.377 ( -4.089 0.000 -5.644) 6.969 23.643 ( -9.781 0.000 9.634) 13.729 23.667 ( -8.848 0.000 -4.208) 9.798 23.925 ( -4.096 0.000 0.739) 4.162 23.970 ( -1.606 0.000 0.563) 1.702 24.147 ( -4.880 0.000 1.292) 5.048 24.397 ( -2.595 0.000 -2.563) 3.647 24.565 ( -7.346 0.000 -1.180) 7.440 24.795 ( 10.273 0.000 13.318) 16.820 25.130 ( 14.534 0.000 -20.298) 24.965 25.186 ( 20.996 0.000 5.760) 21.771 25.451 ( 10.329 0.000 -7.164) 12.570 25.610 ( -0.567 0.000 -7.795) 7.816 29.089 ( -0.310 0.000 0.477) 0.569 29.252 ( 7.801 0.000 -2.553) 8.208 29.637 ( -5.000 0.000 5.727) 7.602 29.878 ( 8.799 0.000 2.859) 9.252 30.353 ( -6.024 0.000 3.141) 6.794 30.580 ( 2.886 0.000 -0.311) 2.903 30.917 ( 2.128 0.000 1.736) 2.747 30.977 ( -3.626 0.000 -1.481) 3.917 36.773 ( 0.831 0.000 3.369) 3.470 36.927 ( 0.512 0.000 -4.589) 4.617 37.149 ( 0.982 0.000 4.785) 4.885 37.319 ( -1.873 0.000 -3.576) 4.036 37.408 ( -14.028 0.000 9.330) 16.847 37.881 ( 2.132 0.000 1.626) 2.681 38.049 ( -0.349 0.000 0.757) 0.834 38.088 ( 3.935 0.000 2.151) 4.484 39.183 ( -4.552 0.000 -3.226) 5.580 39.313 ( 6.033 0.000 -0.163) 6.035 40.094 ( -25.937 0.000 -12.600) 28.835 40.755 ( -9.145 0.000 6.598) 11.277 40.928 ( -8.347 0.000 0.131) 8.348 41.663 ( 2.970 0.000 -16.387) 16.654 42.166 ( 15.018 0.000 1.342) 15.077 42.605 ( 31.480 0.000 -20.055) 37.326 ======================= Grid point 79 (27/96) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 22.153 0.000 4.894) 22.687 1.719 ( 3.096 0.000 -2.795) 4.171 1.965 ( -3.590 0.000 -2.373) 4.303 1.997 ( 0.434 0.000 -18.917) 18.922 2.205 ( -4.576 0.000 -12.412) 13.228 2.228 ( 12.891 0.000 8.637) 15.517 2.527 ( -12.871 0.000 5.929) 14.171 2.734 ( -7.001 0.000 -2.934) 7.591 2.859 ( -3.478 0.000 7.782) 8.523 3.004 ( -2.399 0.000 5.026) 5.569 3.024 ( 2.154 0.000 3.661) 4.248 3.080 ( -20.757 0.000 6.206) 21.665 3.451 ( 7.051 0.000 -1.468) 7.202 3.498 ( 18.433 0.000 -0.479) 18.439 3.712 ( -0.966 0.000 3.130) 3.276 3.741 ( 5.476 0.000 2.532) 6.034 4.003 ( -3.338 0.000 7.945) 8.618 4.038 ( 8.803 0.000 -9.945) 13.281 4.167 ( 14.035 0.000 -16.068) 21.335 4.199 ( 7.655 0.000 6.811) 10.247 4.569 ( 0.885 0.000 2.870) 3.004 4.694 ( -10.364 0.000 2.136) 10.582 5.139 ( 9.442 0.000 -0.424) 9.452 5.180 ( -0.859 0.000 11.121) 11.155 5.330 ( -4.093 0.000 -2.107) 4.603 5.578 ( 5.689 0.000 -4.721) 7.392 5.703 ( 0.453 0.000 10.253) 10.263 5.726 ( -0.461 0.000 0.888) 1.001 6.092 ( -7.338 0.000 2.601) 7.785 6.278 ( -2.273 0.000 5.291) 5.758 6.366 ( -16.970 0.000 -19.480) 25.835 6.901 ( 3.188 0.000 -4.915) 5.859 6.901 ( -7.804 0.000 -7.648) 10.927 7.243 ( 0.398 0.000 -0.090) 0.408 7.727 ( 12.409 0.000 10.248) 16.094 8.097 ( 14.344 0.000 10.748) 17.925 8.453 ( -11.659 0.000 -5.127) 12.737 8.560 ( -10.407 0.000 -4.338) 11.274 9.025 ( -3.455 0.000 0.378) 3.476 9.139 ( -1.658 0.000 3.677) 4.034 9.209 ( -2.402 0.000 -0.051) 2.403 9.503 ( -1.845 0.000 -2.566) 3.160 9.619 ( 13.279 0.000 5.429) 14.346 9.719 ( -0.124 0.000 -8.224) 8.225 9.954 ( -1.348 0.000 -2.924) 3.220 10.116 ( -9.429 0.000 1.748) 9.589 10.429 ( 8.828 0.000 9.605) 13.046 10.486 ( 4.441 0.000 -2.607) 5.150 11.148 ( -4.014 0.000 -3.478) 5.312 11.392 ( -11.785 0.000 -3.754) 12.368 11.591 ( 2.222 0.000 4.907) 5.387 11.633 ( -2.653 0.000 0.329) 2.673 11.811 ( -0.633 0.000 1.870) 1.975 12.257 ( 14.827 0.000 8.091) 16.891 12.333 ( 1.918 0.000 -4.604) 4.987 12.494 ( -7.311 0.000 -10.587) 12.866 13.046 ( -4.594 0.000 2.474) 5.218 13.295 ( 1.887 0.000 2.582) 3.198 14.233 ( -2.358 0.000 -0.231) 2.369 14.634 ( 4.798 0.000 3.394) 5.877 15.108 ( -2.997 0.000 -3.613) 4.694 15.428 ( 4.930 0.000 2.057) 5.342 15.914 ( 2.077 0.000 2.475) 3.231 15.944 ( -2.044 0.000 -3.432) 3.994 16.122 ( -8.348 0.000 -3.915) 9.220 16.454 ( -0.566 0.000 0.464) 0.732 16.531 ( -1.259 0.000 -1.330) 1.831 16.599 ( 0.813 0.000 0.985) 1.277 16.979 ( -0.978 0.000 -0.102) 0.983 17.051 ( 3.733 0.000 1.479) 4.016 17.745 ( 2.847 0.000 1.204) 3.091 17.785 ( -0.510 0.000 -0.341) 0.613 17.884 ( 3.428 0.000 2.859) 4.464 17.886 ( 1.549 0.000 -3.142) 3.503 18.335 ( -2.755 0.000 -2.529) 3.740 18.451 ( -0.159 0.000 -0.429) 0.457 18.497 ( -8.982 0.000 -5.808) 10.696 19.212 ( -1.113 0.000 2.443) 2.684 19.361 ( 11.483 0.000 9.035) 14.611 19.427 ( 0.372 0.000 -4.720) 4.735 20.394 ( -0.384 0.000 0.584) 0.699 20.403 ( -0.961 0.000 -0.065) 0.963 20.725 ( -9.408 0.000 -1.528) 9.531 21.091 ( -2.255 0.000 0.391) 2.288 21.203 ( -5.478 0.000 0.964) 5.562 21.387 ( 3.203 0.000 2.054) 3.806 21.761 ( 4.261 0.000 -4.561) 6.242 21.924 ( -1.005 0.000 6.000) 6.084 21.972 ( 9.578 0.000 4.237) 10.474 22.207 ( -12.585 0.000 -9.937) 16.035 22.387 ( 1.234 0.000 -2.258) 2.573 22.831 ( -7.566 0.000 5.684) 9.463 23.006 ( -1.870 0.000 -4.732) 5.088 23.155 ( -0.325 0.000 -0.637) 0.716 23.328 ( -0.472 0.000 -1.263) 1.348 23.380 ( -1.223 0.000 -1.041) 1.606 23.608 ( 1.081 0.000 2.971) 3.161 23.672 ( 2.830 0.000 4.391) 5.223 23.849 ( -4.605 0.000 1.224) 4.765 23.913 ( -4.838 0.000 -0.543) 4.868 24.095 ( -2.168 0.000 1.654) 2.728 24.358 ( -0.261 0.000 -2.061) 2.078 24.434 ( -3.613 0.000 -3.009) 4.702 24.984 ( 2.608 0.000 -10.155) 10.485 25.224 ( 9.258 0.000 1.143) 9.328 25.436 ( 2.763 0.000 -0.653) 2.839 25.511 ( 3.928 0.000 4.426) 5.918 25.681 ( 10.207 0.000 3.097) 10.667 29.110 ( 0.660 0.000 1.552) 1.686 29.345 ( 4.382 0.000 -4.574) 6.334 29.610 ( -2.120 0.000 2.921) 3.609 30.047 ( 6.639 0.000 2.049) 6.948 30.314 ( -2.652 0.000 5.816) 6.392 30.634 ( 2.274 0.000 0.694) 2.377 30.881 ( -4.658 0.000 -1.804) 4.995 30.972 ( 2.449 0.000 0.197) 2.457 36.807 ( -0.213 0.000 2.244) 2.254 36.894 ( 0.595 0.000 -5.864) 5.894 37.191 ( -0.966 0.000 2.362) 2.552 37.270 ( -0.724 0.000 -3.177) 3.259 37.308 ( -5.955 0.000 8.257) 10.180 37.893 ( -0.046 0.000 0.805) 0.806 38.008 ( -5.092 0.000 -3.083) 5.953 38.154 ( 1.762 0.000 0.537) 1.842 39.079 ( -2.482 0.000 -1.522) 2.911 39.429 ( 6.500 0.000 -1.661) 6.708 39.650 ( -7.102 0.000 -8.279) 10.908 40.700 ( -14.614 0.000 -0.346) 14.618 40.715 ( -3.640 0.000 6.809) 7.721 41.632 ( 9.788 0.000 -20.568) 22.778 42.402 ( 9.021 0.000 1.225) 9.104 42.759 ( 3.446 0.000 -6.782) 7.607 ======================= Grid point 80 (28/96) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 9.391 0.000 -3.146) 9.904 1.624 ( -15.780 0.000 -8.114) 17.743 1.798 ( -1.857 0.000 -1.974) 2.710 2.068 ( 24.131 0.000 -8.103) 25.455 2.133 ( -2.125 0.000 2.614) 3.369 2.357 ( -2.330 0.000 -10.657) 10.909 2.531 ( 6.062 0.000 12.699) 14.072 2.594 ( -5.606 0.000 5.072) 7.560 2.884 ( -8.469 0.000 12.821) 15.366 2.970 ( 7.367 0.000 14.133) 15.938 2.988 ( -3.710 0.000 4.662) 5.958 3.051 ( -0.525 0.000 0.431) 0.679 3.483 ( -0.525 0.000 -4.122) 4.155 3.561 ( -1.425 0.000 -9.426) 9.533 3.674 ( -6.022 0.000 -3.019) 6.736 3.712 ( -4.707 0.000 -4.493) 6.507 4.022 ( -1.492 0.000 7.632) 7.776 4.136 ( 0.666 0.000 0.740) 0.995 4.255 ( -24.663 0.000 -11.292) 27.125 4.330 ( 23.452 0.000 -28.539) 36.939 4.535 ( 9.124 0.000 8.411) 12.409 4.664 ( 2.347 0.000 9.876) 10.151 5.088 ( -17.489 0.000 9.395) 19.852 5.204 ( -3.248 0.000 0.369) 3.269 5.345 ( 1.254 0.000 2.612) 2.898 5.508 ( 5.014 0.000 -12.688) 13.643 5.586 ( -8.136 0.000 -1.809) 8.335 5.751 ( -5.307 0.000 -2.384) 5.817 5.986 ( -3.138 0.000 -2.410) 3.957 6.181 ( 1.902 0.000 -2.762) 3.353 6.436 ( 19.529 0.000 13.017) 23.469 6.990 ( 11.024 0.000 8.900) 14.168 7.098 ( 11.839 0.000 11.490) 16.498 7.241 ( 0.129 0.000 -0.172) 0.215 7.722 ( -12.641 0.000 -5.913) 13.956 8.059 ( -18.765 0.000 -12.971) 22.811 8.432 ( 6.861 0.000 5.132) 8.568 8.493 ( 6.229 0.000 2.316) 6.646 9.046 ( 3.472 0.000 6.607) 7.464 9.089 ( -3.552 0.000 -0.408) 3.575 9.242 ( 3.128 0.000 6.028) 6.791 9.462 ( 1.818 0.000 -3.949) 4.347 9.609 ( -5.010 0.000 -7.544) 9.056 9.929 ( -2.061 0.000 -2.532) 3.265 9.968 ( 2.981 0.000 0.928) 3.122 9.979 ( 5.943 0.000 9.196) 10.949 10.358 ( -12.303 0.000 -7.573) 14.447 10.526 ( 1.355 0.000 -2.316) 2.683 11.247 ( -2.289 0.000 3.460) 4.148 11.266 ( 14.039 0.000 4.589) 14.770 11.508 ( -6.007 0.000 -4.145) 7.299 11.627 ( -3.316 0.000 -1.473) 3.628 11.814 ( -0.624 0.000 1.769) 1.876 12.170 ( -10.807 0.000 -13.156) 17.026 12.465 ( 8.329 0.000 7.454) 11.177 12.603 ( 10.447 0.000 6.928) 12.536 12.999 ( -1.542 0.000 1.701) 2.296 13.249 ( -5.597 0.000 -4.778) 7.359 14.254 ( 2.767 0.000 4.352) 5.157 14.616 ( -5.555 0.000 -4.361) 7.063 15.142 ( 5.697 0.000 4.025) 6.975 15.423 ( -4.519 0.000 -4.295) 6.234 15.915 ( -3.608 0.000 -1.084) 3.767 15.934 ( 2.966 0.000 -0.925) 3.107 16.086 ( 6.077 0.000 2.753) 6.672 16.379 ( -4.255 0.000 -5.643) 7.067 16.542 ( 1.624 0.000 0.594) 1.729 16.590 ( -1.729 0.000 -1.150) 2.077 16.969 ( -0.743 0.000 0.605) 0.958 17.057 ( -2.141 0.000 -1.927) 2.880 17.758 ( -0.964 0.000 -0.555) 1.113 17.767 ( -0.537 0.000 -1.265) 1.374 17.890 ( -4.774 0.000 -1.462) 4.993 17.892 ( 1.844 0.000 -1.482) 2.366 18.369 ( 4.815 0.000 4.163) 6.365 18.452 ( 0.072 0.000 0.280) 0.289 18.529 ( 11.377 0.000 8.747) 14.351 19.229 ( -0.009 0.000 4.431) 4.431 19.262 ( -12.111 0.000 -11.466) 16.678 19.528 ( 2.319 0.000 1.378) 2.697 20.371 ( -1.298 0.000 -1.266) 1.813 20.385 ( -0.419 0.000 -0.773) 0.879 20.692 ( 4.171 0.000 5.078) 6.572 21.030 ( -2.612 0.000 -3.956) 4.740 21.166 ( -0.317 0.000 2.816) 2.834 21.398 ( -2.327 0.000 -0.820) 2.467 21.778 ( 1.571 0.000 -3.706) 4.025 21.915 ( -7.114 0.000 -9.188) 11.620 21.976 ( 0.136 0.000 6.642) 6.644 22.233 ( 8.492 0.000 4.165) 9.458 22.403 ( 4.646 0.000 0.290) 4.655 22.651 ( -10.056 0.000 -4.776) 11.132 23.067 ( 5.900 0.000 3.790) 7.012 23.142 ( -0.414 0.000 -1.007) 1.089 23.322 ( 1.064 0.000 -0.399) 1.136 23.390 ( 0.979 0.000 0.691) 1.198 23.601 ( -1.861 0.000 -0.008) 1.861 23.696 ( -5.517 0.000 -1.291) 5.666 23.795 ( -1.490 0.000 0.265) 1.513 23.834 ( 0.716 0.000 -1.211) 1.407 24.097 ( 0.215 0.000 2.928) 2.936 24.334 ( 0.080 0.000 -3.302) 3.303 24.426 ( 3.103 0.000 0.774) 3.198 24.807 ( -6.261 0.000 -15.903) 17.091 25.331 ( 1.042 0.000 1.308) 1.672 25.443 ( -0.374 0.000 -1.963) 1.998 25.811 ( 15.457 0.000 18.726) 24.282 25.813 ( -0.570 0.000 5.827) 5.855 29.113 ( -1.152 0.000 0.528) 1.268 29.314 ( -0.892 0.000 -9.194) 9.237 29.635 ( 0.608 0.000 7.765) 7.789 30.089 ( -3.581 0.000 -1.621) 3.931 30.337 ( -1.298 0.000 7.276) 7.391 30.653 ( -0.202 0.000 -0.699) 0.728 30.838 ( 1.726 0.000 0.326) 1.756 30.992 ( -0.007 0.000 -1.049) 1.049 36.780 ( -3.083 0.000 -1.485) 3.422 36.856 ( 1.263 0.000 -7.118) 7.229 37.138 ( -3.084 0.000 -2.504) 3.973 37.228 ( -1.873 0.000 -1.822) 2.613 37.315 ( -0.711 0.000 7.193) 7.228 37.867 ( -2.805 0.000 -5.390) 6.076 37.950 ( 3.498 0.000 0.933) 3.620 38.153 ( -1.383 0.000 -1.628) 2.136 39.114 ( 3.751 0.000 4.564) 5.908 39.473 ( 0.148 0.000 -4.269) 4.272 39.708 ( 11.710 0.000 7.400) 13.853 40.457 ( -7.177 0.000 -9.157) 11.634 40.697 ( -4.278 0.000 5.506) 6.973 41.651 ( 11.178 0.000 -22.662) 25.269 42.495 ( -0.278 0.000 1.788) 1.809 42.704 ( -3.875 0.000 -4.135) 5.667 ======================= Grid point 81 (29/96) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -27.535 0.000 -11.157) 29.710 1.223 ( -26.736 0.000 2.340) 26.838 1.981 ( -1.501 0.000 -8.613) 8.743 2.113 ( -3.307 0.000 -14.756) 15.122 2.171 ( -4.075 0.000 11.328) 12.039 2.393 ( 13.985 0.000 -12.318) 18.636 2.543 ( -12.840 0.000 -8.202) 15.236 2.665 ( -0.568 0.000 15.325) 15.336 2.901 ( 0.129 0.000 6.821) 6.822 2.981 ( 5.207 0.000 9.465) 10.803 3.056 ( 1.711 0.000 1.401) 2.212 3.292 ( 6.569 0.000 3.878) 7.629 3.307 ( -10.415 0.000 2.778) 10.779 3.398 ( 2.485 0.000 1.932) 3.148 3.575 ( 0.292 0.000 -11.783) 11.787 3.589 ( -7.426 0.000 7.003) 10.207 3.876 ( -3.695 0.000 -8.347) 9.128 4.071 ( 2.176 0.000 -0.266) 2.192 4.118 ( 1.360 0.000 -6.289) 6.435 4.467 ( 11.149 0.000 -14.536) 18.320 4.677 ( -14.379 0.000 6.696) 15.862 4.842 ( -4.334 0.000 6.751) 8.022 4.877 ( 12.389 0.000 27.546) 30.204 5.090 ( -4.524 0.000 -2.801) 5.321 5.284 ( -8.283 0.000 -0.273) 8.288 5.437 ( -13.795 0.000 -6.553) 15.273 5.566 ( 2.327 0.000 -10.095) 10.360 5.662 ( 12.408 0.000 0.456) 12.416 6.055 ( 11.939 0.000 3.610) 12.472 6.419 ( 18.464 0.000 2.931) 18.696 6.883 ( 13.473 0.000 10.326) 16.975 6.900 ( -16.715 0.000 -14.929) 22.411 7.193 ( -15.043 0.000 -2.954) 15.330 7.315 ( -7.383 0.000 2.310) 7.736 7.686 ( 0.422 0.000 -0.058) 0.426 7.733 ( 18.273 0.000 13.817) 22.909 8.523 ( 1.270 0.000 -1.703) 2.125 8.570 ( 0.667 0.000 -1.475) 1.619 9.020 ( -4.840 0.000 1.906) 5.202 9.187 ( 5.166 0.000 3.391) 6.180 9.350 ( 1.334 0.000 1.218) 1.806 9.449 ( -3.365 0.000 -7.831) 8.523 9.612 ( 9.300 0.000 12.581) 15.645 9.717 ( -10.365 0.000 -13.424) 16.960 9.957 ( -7.035 0.000 -3.970) 8.078 10.094 ( 11.326 0.000 3.773) 11.938 10.284 ( -0.117 0.000 5.757) 5.758 10.493 ( -1.720 0.000 -2.523) 3.053 11.367 ( -6.481 0.000 -8.409) 10.617 11.373 ( 9.637 0.000 9.092) 13.249 11.428 ( -9.097 0.000 -6.767) 11.338 11.611 ( 16.864 0.000 6.103) 17.934 11.830 ( 0.708 0.000 3.098) 3.178 11.992 ( -1.312 0.000 -4.439) 4.628 12.551 ( -6.100 0.000 1.932) 6.398 12.588 ( -14.402 0.000 -6.159) 15.663 13.098 ( 8.845 0.000 5.866) 10.614 13.184 ( 4.704 0.000 -1.526) 4.945 14.400 ( 7.222 0.000 8.797) 11.382 14.452 ( -6.259 0.000 -5.546) 8.363 15.248 ( -8.578 0.000 -6.120) 10.537 15.305 ( 6.783 0.000 5.448) 8.700 15.848 ( -2.773 0.000 -1.113) 2.988 15.981 ( 2.669 0.000 -2.958) 3.984 16.227 ( -5.626 0.000 -9.364) 10.924 16.259 ( 8.333 0.000 3.816) 9.165 16.536 ( -2.200 0.000 -1.513) 2.670 16.590 ( 3.153 0.000 0.242) 3.162 16.963 ( -0.169 0.000 1.204) 1.216 17.003 ( -2.240 0.000 -0.170) 2.246 17.709 ( -6.269 0.000 -0.003) 6.269 17.754 ( 0.039 0.000 -0.498) 0.499 17.770 ( -2.524 0.000 -1.994) 3.217 17.931 ( 2.585 0.000 0.118) 2.588 18.434 ( -2.028 0.000 -1.973) 2.829 18.469 ( 2.649 0.000 2.288) 3.501 18.840 ( -19.050 0.000 -15.912) 24.821 18.925 ( 16.764 0.000 13.060) 21.251 19.285 ( 1.391 0.000 6.603) 6.748 19.521 ( -1.354 0.000 -2.262) 2.636 20.371 ( 1.512 0.000 0.093) 1.515 20.384 ( 1.095 0.000 -0.683) 1.291 20.876 ( 10.065 0.000 5.612) 11.524 20.951 ( -0.949 0.000 -5.915) 5.991 21.219 ( 1.915 0.000 5.410) 5.739 21.310 ( -5.058 0.000 -2.574) 5.676 21.762 ( -1.051 0.000 -1.744) 2.036 21.773 ( -2.640 0.000 -5.078) 5.723 22.010 ( -3.709 0.000 7.654) 8.505 22.235 ( -2.888 0.000 -3.971) 4.910 22.427 ( -6.826 0.000 -11.410) 13.296 22.655 ( 13.114 0.000 7.670) 15.193 23.094 ( -4.059 0.000 -3.179) 5.156 23.158 ( 0.203 0.000 -0.367) 0.420 23.322 ( -4.345 0.000 -2.944) 5.248 23.389 ( 2.574 0.000 0.410) 2.607 23.556 ( -2.292 0.000 2.708) 3.548 23.694 ( 7.675 0.000 6.310) 9.936 23.812 ( 3.724 0.000 -0.999) 3.856 23.885 ( 3.997 0.000 -0.764) 4.070 24.142 ( 1.759 0.000 3.438) 3.862 24.321 ( 2.262 0.000 -3.964) 4.564 24.505 ( 3.265 0.000 1.823) 3.740 24.557 ( -8.394 0.000 -11.912) 14.572 25.329 ( -1.899 0.000 1.254) 2.276 25.338 ( -9.889 0.000 -3.074) 10.356 25.810 ( -3.145 0.000 4.982) 5.892 26.224 ( 14.178 0.000 8.297) 16.427 29.101 ( -0.189 0.000 1.282) 1.296 29.218 ( -1.074 0.000 -6.587) 6.674 29.772 ( 3.639 0.000 18.060) 18.423 29.924 ( -9.140 0.000 -5.626) 10.733 30.376 ( -0.407 0.000 7.272) 7.283 30.622 ( -1.984 0.000 -1.653) 2.582 30.921 ( 5.067 0.000 1.432) 5.265 30.955 ( -2.624 0.000 -1.856) 3.214 36.714 ( -1.465 0.000 -1.949) 2.438 36.830 ( 2.513 0.000 -6.739) 7.192 37.089 ( -1.062 0.000 -0.290) 1.101 37.166 ( -3.413 0.000 -1.548) 3.748 37.387 ( 1.573 0.000 7.953) 8.107 37.789 ( -0.298 0.000 -7.106) 7.112 38.027 ( 2.473 0.000 2.690) 3.654 38.084 ( -3.642 0.000 -3.350) 4.948 39.230 ( 3.535 0.000 4.788) 5.952 39.375 ( -5.242 0.000 -5.167) 7.360 40.123 ( 21.442 0.000 15.812) 26.641 40.252 ( -2.461 0.000 -28.486) 28.592 40.654 ( -4.321 0.000 4.171) 6.005 41.636 ( 9.064 0.000 -27.527) 28.981 42.414 ( -10.731 0.000 2.331) 10.981 42.547 ( -8.971 0.000 -7.921) 11.967 ======================= Grid point 82 (30/96) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -24.690 0.000 12.545) 27.695 0.663 ( -37.203 0.000 -2.560) 37.291 1.255 ( -52.994 0.000 17.152) 55.701 2.030 ( 4.923 0.000 -8.593) 9.903 2.076 ( -3.662 0.000 3.780) 5.263 2.490 ( 11.577 0.000 -18.760) 22.045 2.680 ( -6.399 0.000 4.832) 8.019 2.736 ( 17.756 0.000 -2.079) 17.877 2.964 ( 0.914 0.000 4.390) 4.484 2.995 ( -0.519 0.000 -6.634) 6.654 3.167 ( 0.735 0.000 3.065) 3.152 3.207 ( -2.060 0.000 -3.887) 4.399 3.294 ( -2.585 0.000 9.613) 9.954 3.416 ( -6.943 0.000 8.007) 10.599 3.481 ( -0.633 0.000 -2.901) 2.969 3.696 ( -4.097 0.000 12.415) 13.073 3.836 ( 4.886 0.000 -8.165) 9.515 4.080 ( -0.652 0.000 0.778) 1.015 4.093 ( 2.577 0.000 -7.465) 7.898 4.492 ( 1.922 0.000 -3.587) 4.070 4.620 ( 4.060 0.000 3.923) 5.646 4.826 ( -7.142 0.000 5.091) 8.770 5.018 ( -5.979 0.000 -14.487) 15.672 5.121 ( 0.220 0.000 10.119) 10.121 5.195 ( -0.612 0.000 2.133) 2.219 5.337 ( -1.915 0.000 3.913) 4.356 5.727 ( 22.457 0.000 24.112) 32.950 5.939 ( 17.737 0.000 2.379) 17.896 6.346 ( -7.814 0.000 -8.524) 11.563 6.423 ( 3.620 0.000 1.403) 3.882 6.746 ( 14.787 0.000 -2.473) 14.993 6.832 ( -17.716 0.000 -9.058) 19.897 6.879 ( -10.271 0.000 -7.540) 12.742 7.215 ( 0.472 0.000 2.041) 2.095 7.909 ( 9.145 0.000 4.848) 10.350 8.176 ( 12.390 0.000 8.706) 15.143 8.489 ( -5.497 0.000 -2.059) 5.870 8.505 ( 0.866 0.000 -2.112) 2.283 8.998 ( 0.229 0.000 4.992) 4.997 9.303 ( 5.892 0.000 -0.674) 5.931 9.354 ( -0.376 0.000 3.836) 3.854 9.376 ( -0.207 0.000 -9.779) 9.781 9.495 ( -0.994 0.000 -2.790) 2.962 9.664 ( -9.491 0.000 -0.134) 9.492 9.828 ( -5.269 0.000 -1.117) 5.386 10.271 ( -3.557 0.000 1.695) 3.940 10.342 ( 4.940 0.000 -0.636) 4.980 10.602 ( 14.056 0.000 6.711) 15.576 11.118 ( -6.714 0.000 -6.364) 9.251 11.361 ( 0.686 0.000 0.241) 0.727 11.591 ( 4.747 0.000 3.795) 6.078 11.850 ( 4.172 0.000 -3.130) 5.215 11.983 ( 10.869 0.000 11.212) 15.615 11.991 ( 3.012 0.000 -0.048) 3.013 12.189 ( -17.187 0.000 -7.734) 18.847 12.340 ( -12.759 0.000 -5.251) 13.797 13.279 ( 4.177 0.000 3.550) 5.482 13.283 ( 4.892 0.000 -1.278) 5.056 14.337 ( -2.091 0.000 -2.896) 3.572 14.618 ( 6.555 0.000 7.161) 9.708 15.064 ( -5.630 0.000 -3.272) 6.512 15.436 ( 2.988 0.000 1.877) 3.529 15.797 ( -1.708 0.000 0.451) 1.767 15.990 ( 3.112 0.000 2.146) 3.781 16.044 ( -5.268 0.000 -5.960) 7.954 16.411 ( 4.954 0.000 2.240) 5.437 16.502 ( -0.821 0.000 -0.146) 0.834 16.621 ( 0.089 0.000 -1.351) 1.354 16.965 ( -2.346 0.000 0.357) 2.373 17.006 ( 1.897 0.000 2.915) 3.478 17.589 ( -5.556 0.000 1.687) 5.806 17.759 ( 0.535 0.000 0.209) 0.575 17.764 ( 0.640 0.000 0.456) 0.786 17.930 ( -3.085 0.000 -2.247) 3.817 18.353 ( -2.835 0.000 -2.290) 3.644 18.462 ( -7.466 0.000 -5.681) 9.382 18.501 ( 0.350 0.000 -0.572) 0.670 19.184 ( 3.379 0.000 4.631) 5.732 19.385 ( 1.918 0.000 4.554) 4.942 19.474 ( -0.792 0.000 -4.596) 4.664 20.401 ( 1.111 0.000 0.386) 1.176 20.409 ( 1.390 0.000 0.107) 1.394 20.927 ( 3.371 0.000 -3.661) 4.977 21.111 ( 10.603 0.000 3.116) 11.051 21.210 ( -3.845 0.000 -0.105) 3.846 21.343 ( 3.723 0.000 9.821) 10.503 21.724 ( 0.484 0.000 -2.558) 2.603 21.753 ( 4.228 0.000 13.826) 14.458 21.938 ( -6.833 0.000 -0.584) 6.858 22.156 ( -1.767 0.000 -2.331) 2.925 22.260 ( -3.396 0.000 -4.845) 5.917 22.897 ( 6.895 0.000 6.092) 9.201 22.965 ( -5.138 0.000 -4.376) 6.749 23.114 ( -2.179 0.000 -0.826) 2.330 23.269 ( -0.782 0.000 -0.044) 0.783 23.337 ( -1.299 0.000 0.653) 1.454 23.723 ( 8.156 0.000 6.066) 10.164 23.866 ( 4.650 0.000 3.555) 5.853 23.896 ( 5.172 0.000 -0.362) 5.185 23.951 ( 3.085 0.000 1.286) 3.342 24.221 ( 3.732 0.000 3.650) 5.220 24.328 ( -7.291 0.000 -6.191) 9.565 24.379 ( 8.977 0.000 -3.751) 9.729 24.547 ( -0.056 0.000 0.184) 0.192 25.079 ( -15.327 0.000 0.037) 15.327 25.296 ( -2.404 0.000 1.201) 2.687 25.783 ( -2.129 0.000 -1.163) 2.426 26.188 ( -19.171 0.000 -38.885) 43.354 29.131 ( 0.892 0.000 2.304) 2.471 29.196 ( 1.072 0.000 -0.601) 1.229 29.737 ( -5.434 0.000 -3.943) 6.714 30.003 ( 1.275 0.000 6.823) 6.941 30.563 ( 13.490 0.000 19.160) 23.433 30.571 ( -1.502 0.000 -1.860) 2.391 30.877 ( -3.119 0.000 -3.364) 4.588 31.004 ( 3.045 0.000 -0.049) 3.046 36.705 ( 0.620 0.000 0.774) 0.991 36.913 ( 9.597 0.000 6.146) 11.396 37.084 ( -0.310 0.000 1.658) 1.686 37.141 ( 5.753 0.000 12.850) 14.079 37.521 ( 7.598 0.000 17.722) 19.282 37.749 ( 1.843 0.000 -4.774) 5.117 37.995 ( -2.177 0.000 -2.819) 3.562 38.072 ( 0.227 0.000 1.965) 1.978 39.247 ( -3.958 0.000 -7.406) 8.397 39.291 ( 0.359 0.000 1.173) 1.227 39.640 ( -33.314 0.000 -50.322) 60.350 40.507 ( -2.283 0.000 12.165) 12.377 40.754 ( 18.020 0.000 6.244) 19.071 41.514 ( 3.673 0.000 -27.988) 28.228 42.155 ( -18.270 0.000 1.351) 18.320 42.222 ( -19.995 0.000 -4.855) 20.575 ======================= Grid point 83 (31/96) ======================= q-point: ( 0.00 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -1.888 27.986 12.620) 30.758 1.029 ( 7.434 32.005 17.884) 37.409 1.790 ( 8.200 29.482 27.845) 41.374 2.085 ( 4.106 2.044 -5.941) 7.505 2.325 ( -0.798 23.379 1.256) 23.427 2.457 ( -7.574 12.613 -14.013) 20.318 2.562 ( 10.740 -0.139 -13.207) 17.024 2.950 ( 3.719 2.048 0.612) 4.289 3.037 ( 0.730 3.435 3.334) 4.842 3.081 ( 4.280 8.687 -2.876) 10.102 3.318 ( -12.418 5.324 7.356) 15.384 3.377 ( -3.856 9.784 1.036) 10.567 3.438 ( 0.136 12.760 6.009) 14.105 3.576 ( 1.672 4.831 9.104) 10.442 3.642 ( -4.877 16.527 4.903) 17.916 3.700 ( -0.342 14.408 2.953) 14.712 3.902 ( 0.910 1.534 -3.784) 4.184 4.281 ( 5.193 13.690 -3.173) 14.982 4.330 ( 2.816 17.474 -6.975) 19.024 4.542 ( 0.128 5.283 -2.832) 5.995 4.632 ( -10.626 -0.831 -7.129) 12.823 4.702 ( -0.085 1.736 3.159) 3.606 4.838 ( 0.576 1.138 -7.891) 7.993 5.085 ( -2.418 -4.267 2.492) 5.501 5.234 ( -3.547 2.068 0.400) 4.126 5.439 ( -4.832 -9.844 2.536) 11.255 5.571 ( 9.132 4.049 10.098) 14.204 5.976 ( -8.924 -8.341 -1.469) 12.303 6.189 ( 3.718 -0.267 -0.200) 3.733 6.462 ( -16.575 6.751 -10.684) 20.844 6.711 ( 8.181 -8.238 6.031) 13.083 6.733 ( 11.153 18.245 2.951) 21.587 6.992 ( 3.793 1.973 -0.402) 4.294 7.266 ( 4.334 5.143 3.889) 7.769 7.871 ( -13.376 4.166 -12.974) 19.095 8.061 ( -7.261 -1.166 -8.779) 11.452 8.558 ( 0.879 -0.528 3.967) 4.097 8.660 ( 6.180 4.316 6.214) 9.769 8.968 ( -1.946 -3.559 4.001) 5.697 9.194 ( 0.721 -6.983 -2.475) 7.444 9.378 ( -8.297 -2.412 -3.782) 9.432 9.465 ( 3.269 1.716 -0.320) 3.706 9.482 ( 2.188 0.740 2.746) 3.588 9.731 ( 12.293 9.000 7.564) 17.009 9.816 ( -1.709 1.152 -1.228) 2.399 10.120 ( 4.240 -8.213 5.371) 10.690 10.449 ( -2.444 1.756 -2.932) 4.202 10.549 ( -13.704 1.491 -12.928) 18.898 11.104 ( 6.497 -9.660 7.668) 13.940 11.345 ( -2.218 -3.599 -0.649) 4.277 11.511 ( 0.584 -6.818 1.028) 6.920 11.632 ( 2.595 -14.369 1.722) 14.703 12.033 ( -7.523 5.486 -3.689) 10.015 12.114 ( -2.545 4.293 -2.649) 5.650 12.290 ( 5.065 11.640 4.535) 13.480 12.353 ( 9.236 3.483 7.079) 12.147 13.159 ( -4.332 -10.183 -2.497) 11.345 13.265 ( -1.415 -4.026 -4.120) 5.932 14.276 ( 3.302 -6.450 2.387) 7.629 14.493 ( -6.345 -4.958 -3.215) 8.671 15.082 ( 5.198 0.253 4.266) 6.729 15.414 ( -5.115 0.477 -5.123) 7.255 15.783 ( 1.449 -4.645 3.527) 6.010 15.957 ( 1.257 -10.770 -0.173) 10.845 16.136 ( 7.442 -0.917 7.923) 10.908 16.322 ( -0.694 -9.805 -0.428) 9.839 16.448 ( 4.127 -10.043 1.664) 10.984 16.681 ( -6.258 1.326 -2.348) 6.814 16.996 ( 5.567 -3.758 -1.188) 6.821 17.092 ( -7.749 1.275 -6.482) 10.183 17.375 ( 4.419 -8.736 4.363) 10.719 17.577 ( -2.724 -16.237 -4.798) 17.149 17.652 ( -0.786 -13.755 -0.176) 13.779 17.947 ( -0.142 -0.183 -10.203) 10.206 18.381 ( 3.725 -2.265 0.435) 4.381 18.415 ( -1.333 4.040 -1.194) 4.419 18.830 ( 9.974 14.127 10.338) 20.148 19.304 ( -1.139 9.424 -3.593) 10.150 19.479 ( -1.532 12.273 -2.183) 12.559 19.647 ( -6.561 21.304 -6.944) 23.348 20.410 ( 0.032 0.646 0.620) 0.895 20.476 ( -0.407 3.597 -1.900) 4.088 20.948 ( 5.286 -6.157 3.194) 8.721 21.087 ( -2.249 -5.659 -0.275) 6.095 21.284 ( -6.328 1.777 -0.231) 6.577 21.317 ( 5.709 1.428 -0.323) 5.894 21.730 ( -3.824 -4.036 2.539) 6.112 21.754 ( 0.919 -1.602 -0.492) 1.911 21.930 ( 0.409 -7.821 10.460) 13.067 22.028 ( -0.672 -4.597 6.032) 7.614 22.339 ( 10.520 -12.471 5.846) 17.331 22.677 ( -4.283 -10.703 -6.873) 13.422 22.960 ( 6.266 -12.429 5.290) 14.890 23.134 ( -0.632 -8.821 1.021) 8.903 23.209 ( -2.059 -2.957 0.430) 3.629 23.318 ( -3.914 -12.480 -2.485) 13.314 23.485 ( 7.144 -9.350 9.629) 15.204 23.903 ( -4.778 4.130 -6.570) 9.113 24.150 ( -2.892 11.272 -1.997) 11.808 24.154 ( 1.151 9.752 -2.572) 10.151 24.237 ( 1.765 0.528 4.491) 4.854 24.316 ( 3.714 -0.185 5.570) 6.697 24.472 ( -2.470 -1.806 -3.293) 4.495 24.714 ( 6.497 8.203 13.246) 16.881 24.837 ( -3.768 -1.451 -3.267) 5.194 25.307 ( -3.424 2.094 3.007) 5.015 25.682 ( 0.707 -0.143 -6.190) 6.232 25.816 ( -2.276 18.488 -27.402) 33.134 29.167 ( -3.218 3.474 -1.705) 5.034 29.203 ( 3.884 3.130 -2.889) 5.765 29.728 ( -10.886 -0.699 7.729) 13.369 29.753 ( 4.606 2.704 1.858) 5.655 30.417 ( -5.247 -2.278 3.148) 6.529 30.557 ( 0.182 0.237 -2.124) 2.145 30.890 ( 1.142 1.494 0.975) 2.118 31.003 ( -0.290 -1.790 -1.119) 2.131 36.811 ( 0.765 6.270 2.917) 6.958 37.044 ( -4.226 5.488 -1.159) 7.023 37.058 ( 5.123 4.685 1.554) 7.114 37.427 ( -2.211 3.937 -3.504) 5.716 37.850 ( 4.305 5.319 -2.048) 7.143 38.006 ( -0.902 6.368 -0.898) 6.494 38.182 ( -0.795 11.735 1.505) 11.857 38.632 ( -37.394 37.984 -31.011) 61.667 39.244 ( 2.136 0.558 -0.716) 2.321 39.284 ( -2.831 1.984 -2.012) 4.000 40.236 ( 40.289 -10.082 13.257) 43.596 40.615 ( 19.012 -1.239 -9.466) 21.274 41.040 ( 5.693 6.594 3.866) 9.531 41.509 ( 18.478 -6.578 7.069) 20.849 41.812 ( -8.770 -1.478 -4.076) 9.783 41.908 ( 4.463 -7.065 -1.185) 8.440 ======================= Grid point 84 (32/96) ======================= q-point: ( 0.17 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 12.300 23.467 12.490) 29.291 1.560 ( 21.042 13.124 21.489) 32.814 1.950 ( -1.950 -4.414 -17.087) 17.756 2.127 ( 8.382 5.537 1.057) 10.102 2.172 ( -1.569 8.769 -14.167) 16.735 2.592 ( 9.628 5.730 -2.927) 11.580 2.672 ( 6.349 21.431 12.799) 25.757 2.956 ( -6.217 7.646 -3.758) 10.547 3.005 ( -5.301 9.770 -3.662) 11.703 3.052 ( -1.635 8.638 2.142) 9.048 3.262 ( -3.878 10.289 0.482) 11.006 3.277 ( -7.763 17.714 7.823) 20.862 3.391 ( 4.409 8.085 9.298) 13.087 3.466 ( -13.702 6.188 4.297) 15.637 3.692 ( -0.802 6.294 -2.340) 6.763 3.829 ( 5.785 5.461 13.981) 16.086 3.895 ( 3.579 10.951 -4.766) 12.468 4.280 ( -2.156 17.645 -5.937) 18.741 4.307 ( -5.158 12.667 -10.927) 17.506 4.362 ( 4.589 11.185 -1.755) 12.217 4.654 ( 2.581 2.616 0.863) 3.776 4.776 ( -1.112 0.887 6.127) 6.290 4.811 ( 4.079 1.250 1.413) 4.494 5.035 ( 5.948 1.640 -3.678) 7.183 5.310 ( 2.906 -6.051 7.216) 9.855 5.351 ( 3.865 -6.058 3.607) 8.041 5.727 ( -16.064 -1.043 -10.298) 19.110 5.844 ( -1.625 5.416 5.005) 7.551 6.143 ( -4.259 -0.390 -1.944) 4.698 6.291 ( 11.934 9.897 2.539) 15.710 6.841 ( -3.033 -7.404 -1.566) 8.153 6.947 ( -0.607 -4.388 -1.794) 4.779 7.116 ( -5.470 5.695 -6.842) 10.448 7.196 ( 5.329 9.090 0.021) 10.537 7.727 ( 2.330 7.674 0.166) 8.022 7.817 ( 0.303 7.995 -3.034) 8.557 8.570 ( -3.926 -4.256 3.072) 6.555 8.722 ( -3.227 0.778 -0.208) 3.326 9.009 ( 1.633 -2.226 5.641) 6.281 9.161 ( -4.156 -1.534 -6.037) 7.488 9.280 ( 0.504 -1.868 4.234) 4.655 9.467 ( -2.182 -2.463 -1.265) 3.525 9.524 ( 1.371 1.366 2.452) 3.124 9.751 ( -0.847 0.287 -6.039) 6.105 10.078 ( 4.709 4.267 5.659) 8.510 10.175 ( -3.682 3.553 -3.208) 6.039 10.218 ( -3.033 -1.906 0.962) 3.709 10.396 ( 3.880 -3.204 -0.757) 5.088 11.206 ( -4.930 -7.340 -1.160) 8.918 11.319 ( 4.816 -9.846 3.209) 11.421 11.542 ( -3.900 -6.716 -0.317) 7.773 11.583 ( -3.134 -9.507 -0.605) 10.028 11.889 ( -5.280 5.224 1.187) 7.522 12.117 ( 3.165 7.323 1.600) 8.136 12.417 ( 0.810 0.455 -1.534) 1.793 12.569 ( 9.791 7.453 1.245) 12.368 13.034 ( -5.393 -8.964 0.127) 10.462 13.203 ( -0.751 -5.110 -1.971) 5.528 14.328 ( -5.783 -1.712 -3.007) 6.739 14.411 ( 5.972 -5.957 4.221) 9.432 15.246 ( -4.448 -0.371 -4.439) 6.295 15.265 ( 6.623 -0.223 4.021) 7.752 15.824 ( 0.417 -4.670 2.475) 5.302 15.954 ( -0.393 -6.647 -2.559) 7.133 16.264 ( -2.230 -5.362 -0.240) 5.812 16.300 ( 0.979 -4.274 1.496) 4.634 16.498 ( -7.700 -7.250 -4.249) 11.398 16.599 ( 7.128 -5.874 7.377) 11.821 16.937 ( -4.971 2.639 -3.918) 6.857 17.093 ( 4.786 -0.440 0.097) 4.807 17.429 ( 2.093 -16.206 0.983) 16.370 17.562 ( 2.817 -14.727 -1.547) 15.074 17.697 ( 3.248 -10.463 4.190) 11.729 17.774 ( -7.429 -9.219 -7.470) 13.999 18.373 ( -1.398 -0.749 -0.889) 1.818 18.471 ( 1.654 3.509 -1.816) 4.283 19.066 ( 1.458 13.687 2.412) 13.974 19.211 ( 0.381 12.936 -0.181) 12.943 19.400 ( -4.360 16.808 -2.741) 17.579 19.563 ( 4.473 14.296 -1.118) 15.021 20.410 ( -0.624 0.654 0.970) 1.325 20.445 ( -1.501 2.568 -0.946) 3.121 20.913 ( -12.055 -4.517 -3.484) 13.336 21.038 ( -0.309 -5.624 4.369) 7.128 21.247 ( 0.228 0.361 0.692) 0.813 21.382 ( 1.838 2.975 0.717) 3.570 21.702 ( 2.655 -1.330 -1.409) 3.287 21.819 ( 5.009 0.153 1.021) 5.115 21.920 ( -4.082 -1.207 5.949) 7.315 22.152 ( 4.634 -11.721 5.822) 13.884 22.459 ( -8.461 -9.353 -7.924) 14.895 22.585 ( 5.360 -11.120 1.264) 12.409 23.061 ( -13.792 -12.623 -5.258) 19.421 23.100 ( 3.488 -15.941 5.786) 17.314 23.175 ( 3.070 -4.103 1.795) 5.430 23.246 ( 2.148 -12.064 3.077) 12.634 23.689 ( 4.882 2.584 8.094) 9.799 23.721 ( -7.963 5.144 -7.968) 12.383 24.037 ( -5.182 10.893 1.903) 12.212 24.109 ( -3.448 9.906 -1.749) 10.634 24.218 ( -3.919 5.987 -0.441) 7.169 24.401 ( 0.158 1.049 1.947) 2.217 24.488 ( -0.058 -4.983 1.644) 5.247 24.753 ( 4.260 -5.654 4.164) 8.213 24.982 ( 5.357 -1.133 -0.097) 5.477 25.304 ( 3.156 3.479 2.163) 5.171 25.622 ( -0.735 2.700 -7.019) 7.557 25.748 ( 9.834 12.773 -14.803) 21.886 29.094 ( -2.026 0.848 -0.274) 2.213 29.299 ( 8.050 4.470 -2.876) 9.646 29.658 ( -4.345 2.169 6.004) 7.722 29.901 ( 8.143 2.245 2.430) 8.789 30.344 ( -4.496 -0.017 2.151) 4.984 30.574 ( 2.706 -0.226 -0.912) 2.864 30.924 ( 0.980 0.457 0.392) 1.150 30.972 ( -1.248 -0.078 -0.906) 1.544 36.841 ( -0.653 6.459 2.915) 7.117 37.006 ( 1.127 5.834 -0.140) 5.944 37.140 ( 1.731 4.227 1.663) 4.861 37.347 ( -1.314 2.863 -5.380) 6.235 37.746 ( -15.768 19.901 -2.692) 25.533 37.946 ( 1.216 6.957 0.356) 7.071 38.184 ( -1.455 11.808 2.707) 12.201 38.249 ( -1.210 17.290 4.219) 17.838 39.196 ( -4.068 1.635 -3.206) 5.432 39.330 ( 6.535 1.543 0.345) 6.724 40.078 ( -23.970 -1.432 -12.092) 26.886 40.706 ( -5.613 -4.882 5.377) 9.179 40.932 ( -11.177 0.768 0.719) 11.227 41.677 ( 3.091 -1.051 -15.079) 15.429 42.024 ( 15.757 -12.457 4.873) 20.669 42.367 ( 31.121 -15.641 -7.130) 35.552 ======================= Grid point 85 (33/96) ======================= q-point: ( 0.33 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 19.907 21.564 2.568) 29.460 1.775 ( 10.775 0.104 -12.096) 16.200 1.979 ( -4.036 13.947 -0.943) 14.550 2.100 ( 9.368 9.007 -12.410) 17.969 2.283 ( 7.999 10.403 6.350) 14.579 2.574 ( -0.477 15.679 -8.896) 18.033 2.658 ( -11.898 4.262 8.168) 15.048 2.793 ( -9.645 2.576 6.559) 11.945 2.845 ( -7.291 14.864 -1.708) 16.644 3.063 ( -12.648 2.257 2.002) 13.003 3.114 ( -5.886 6.376 3.988) 9.550 3.189 ( -7.635 13.252 7.033) 16.834 3.424 ( 6.825 -2.649 3.417) 8.079 3.689 ( 9.549 10.855 -4.816) 15.238 3.754 ( 6.724 5.405 10.637) 13.695 3.958 ( 4.069 22.410 -5.084) 23.337 4.069 ( 16.376 5.947 8.430) 19.355 4.171 ( -5.756 13.174 -0.103) 14.377 4.252 ( 8.005 10.177 -14.610) 19.522 4.401 ( -0.121 10.284 -1.413) 10.381 4.604 ( -4.201 4.130 -0.465) 5.909 4.819 ( 2.001 17.497 2.766) 17.827 4.965 ( 5.905 -9.894 6.126) 13.050 5.141 ( -5.308 -5.332 0.557) 7.544 5.340 ( 0.440 0.671 -4.424) 4.496 5.396 ( -1.083 -12.547 -3.876) 13.177 5.611 ( 5.107 -5.693 10.047) 12.626 5.791 ( -1.424 5.232 3.446) 6.425 6.023 ( -8.793 -2.823 -1.035) 9.293 6.535 ( 1.408 16.485 3.309) 16.873 6.617 ( -10.155 19.846 -12.199) 25.412 6.702 ( -4.696 -8.497 -6.530) 11.700 6.919 ( -0.134 -3.452 -0.950) 3.583 7.424 ( 5.487 11.699 -1.913) 13.063 7.756 ( 7.941 4.369 7.805) 11.961 8.069 ( 4.976 -1.250 4.439) 6.784 8.483 ( -2.205 2.714 1.266) 3.719 8.603 ( -6.818 2.797 -4.305) 8.534 9.040 ( -2.994 1.702 1.409) 3.721 9.092 ( 1.603 -3.466 2.284) 4.450 9.288 ( -7.675 5.387 0.759) 9.408 9.423 ( 1.315 -4.728 -1.755) 5.212 9.618 ( 8.068 -2.397 3.581) 9.147 9.654 ( -2.042 -4.714 -6.162) 8.023 9.921 ( -2.785 -2.378 -4.088) 5.488 10.070 ( -8.632 -3.262 -0.792) 9.261 10.469 ( 9.916 4.264 9.462) 14.354 10.536 ( 5.613 2.387 -0.126) 6.101 11.078 ( -4.041 -5.910 -3.089) 7.798 11.267 ( -9.646 -10.768 -1.913) 14.583 11.503 ( 1.530 -6.112 0.971) 6.375 11.547 ( -2.439 -8.067 -0.054) 8.427 11.836 ( -2.592 0.509 2.083) 3.364 12.285 ( 10.813 4.345 4.973) 12.671 12.400 ( 1.950 -0.894 -1.823) 2.815 12.531 ( -7.357 5.795 -8.641) 12.743 13.007 ( -1.296 -3.283 2.817) 4.516 13.238 ( 2.045 -5.294 1.897) 5.984 14.231 ( -2.260 -0.340 -0.821) 2.428 14.550 ( 3.618 -8.381 2.957) 9.596 15.117 ( -2.415 0.948 -3.171) 4.097 15.440 ( 5.344 0.901 2.518) 5.976 15.855 ( 0.628 -5.600 1.571) 5.850 15.900 ( -1.864 -5.335 -2.604) 6.222 16.131 ( -6.066 1.421 -4.055) 7.434 16.329 ( 0.399 -8.162 0.228) 8.175 16.396 ( -1.444 -11.177 -1.269) 11.341 16.750 ( 1.226 7.088 1.071) 7.273 16.850 ( -0.576 -5.637 1.026) 5.758 17.201 ( 6.152 1.582 2.784) 6.936 17.424 ( -4.361 -25.309 -4.106) 26.008 17.620 ( 3.997 -12.491 1.504) 13.201 17.669 ( 0.399 -13.580 0.328) 13.590 17.768 ( 0.242 -3.525 1.300) 3.765 18.334 ( -1.364 -9.239 -0.693) 9.365 18.435 ( -1.782 9.378 -1.633) 9.684 18.887 ( -4.657 23.699 -6.745) 25.076 19.312 ( 0.037 9.274 2.015) 9.490 19.442 ( 4.343 6.307 2.608) 8.089 19.676 ( 5.557 20.954 2.673) 21.843 20.404 ( -1.094 0.216 -0.064) 1.117 20.423 ( -0.045 2.769 0.804) 2.884 20.681 ( -9.110 -3.621 -1.769) 9.962 21.022 ( -2.927 -5.001 0.351) 5.806 21.229 ( -1.921 1.914 0.818) 2.832 21.438 ( 2.028 3.291 1.550) 4.165 21.758 ( 4.664 -0.345 -4.181) 6.273 21.900 ( -0.204 -1.328 2.735) 3.047 21.978 ( 8.060 -0.934 5.173) 9.623 22.150 ( -8.379 -4.884 -6.729) 11.804 22.293 ( -0.474 -9.011 -0.729) 9.053 22.623 ( 0.303 -17.962 -0.408) 17.969 22.811 ( -9.487 -6.864 -0.519) 11.721 23.178 ( 1.226 -16.503 1.936) 16.662 23.220 ( 1.575 -8.648 -0.102) 8.791 23.378 ( 5.759 0.897 5.580) 8.069 23.498 ( -7.634 1.165 -7.877) 11.031 23.796 ( 0.892 7.648 3.293) 8.374 23.996 ( -1.933 12.520 1.603) 12.769 24.040 ( -2.661 7.811 -0.716) 8.283 24.163 ( -1.733 5.983 0.619) 6.259 24.399 ( -0.624 2.225 -0.521) 2.368 24.429 ( -3.282 1.554 -2.547) 4.436 24.908 ( -0.713 -6.520 -2.684) 7.087 25.006 ( 8.014 -17.609 1.711) 19.423 25.389 ( 1.849 -0.555 3.291) 3.815 25.539 ( -0.056 7.347 -3.968) 8.350 25.898 ( 9.527 7.297 1.112) 12.052 29.089 ( 0.085 -1.468 1.172) 1.880 29.387 ( 4.055 3.883 -5.364) 7.765 29.643 ( -1.700 3.074 4.019) 5.337 30.052 ( 5.897 0.566 1.572) 6.129 30.306 ( -2.591 -0.097 4.806) 5.461 30.622 ( 2.332 -0.794 0.190) 2.470 30.879 ( -3.005 0.080 -1.482) 3.351 30.996 ( 2.238 2.074 -0.146) 3.055 36.833 ( -1.525 4.582 0.700) 4.879 37.039 ( 1.017 10.141 -5.778) 11.715 37.154 ( 0.926 0.961 4.339) 4.539 37.327 ( 1.575 5.480 -1.177) 5.822 37.529 ( -8.850 16.627 3.235) 19.111 37.963 ( 0.793 5.091 -0.321) 5.162 38.168 ( -4.822 16.078 0.689) 16.800 38.242 ( -3.179 8.898 1.313) 9.539 39.111 ( -1.428 3.131 -1.343) 3.694 39.441 ( 4.529 1.130 -2.122) 5.128 39.667 ( -4.914 1.678 -7.350) 8.999 40.637 ( -8.294 -4.588 -0.593) 9.497 40.728 ( -9.935 0.269 6.601) 11.931 41.657 ( 10.373 0.256 -21.620) 23.981 42.264 ( 6.220 -11.658 5.633) 14.364 42.640 ( 7.875 -9.962 -4.675) 13.532 ======================= Grid point 86 (34/96) ======================= q-point: (-0.50 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 7.914 18.551 -7.772) 21.615 1.788 ( -14.694 15.568 -0.772) 21.421 1.889 ( 7.702 -6.101 -11.099) 14.824 2.271 ( 18.344 14.318 -7.066) 24.319 2.315 ( -0.432 29.006 -2.097) 29.085 2.553 ( -6.085 5.816 9.218) 12.483 2.616 ( -6.198 4.882 9.658) 12.471 2.688 ( 4.533 15.558 -2.225) 16.357 2.808 ( -6.424 -3.623 8.256) 11.071 2.914 ( 2.690 -1.408 6.573) 7.240 3.111 ( -0.696 7.215 3.199) 7.924 3.182 ( -0.482 15.953 9.422) 18.534 3.508 ( 0.749 -3.726 3.534) 5.190 3.682 ( -8.348 5.674 0.629) 10.114 3.887 ( -0.559 13.703 -8.629) 16.204 3.911 ( 0.934 24.248 -5.032) 24.783 4.079 ( -2.510 9.654 -3.593) 10.602 4.140 ( -17.565 2.968 -0.292) 17.816 4.290 ( 8.020 3.331 -18.765) 20.677 4.483 ( 11.296 7.669 -5.845) 14.852 4.579 ( 2.014 5.448 2.759) 6.430 4.846 ( 1.709 20.316 5.696) 21.169 4.915 ( -15.392 -9.060 5.942) 18.823 5.135 ( 5.221 -8.044 2.516) 9.914 5.341 ( -1.710 1.283 -1.954) 2.896 5.362 ( 3.855 -6.395 -2.196) 7.783 5.645 ( -2.936 -1.673 3.462) 4.838 5.773 ( -3.989 3.042 -1.011) 5.117 5.940 ( -1.265 -1.497 -0.655) 2.066 6.357 ( -6.099 14.151 -13.516) 20.497 6.630 ( 11.421 11.413 5.759) 17.142 6.820 ( 14.089 -7.141 11.239) 19.386 7.003 ( 2.481 -1.361 4.554) 5.361 7.586 ( 2.818 18.383 5.813) 19.485 7.717 ( -6.927 1.710 -4.417) 8.392 8.065 ( -6.236 -0.810 -2.915) 6.931 8.453 ( -2.210 4.146 -0.593) 4.736 8.555 ( 3.976 4.477 -0.172) 5.990 9.016 ( -2.259 -0.765 0.713) 2.490 9.124 ( -2.016 -0.096 1.367) 2.438 9.208 ( 4.537 -3.142 3.890) 6.752 9.416 ( -0.056 -2.225 -2.814) 3.588 9.595 ( -1.631 -0.845 -4.730) 5.074 9.759 ( -1.138 -10.900 0.817) 10.989 9.951 ( 6.492 1.204 1.371) 6.743 10.049 ( 6.988 -0.848 10.901) 12.977 10.381 ( -13.941 3.271 -10.833) 17.956 10.580 ( -2.351 3.526 -3.115) 5.260 11.112 ( 2.033 -9.574 2.018) 9.993 11.171 ( 5.726 -8.380 2.284) 10.403 11.503 ( -1.525 -3.061 -0.006) 3.420 11.545 ( -0.056 -7.189 0.932) 7.249 11.813 ( -0.948 0.244 1.464) 1.762 12.211 ( -9.468 3.321 -12.112) 15.728 12.494 ( 6.287 0.637 5.932) 8.668 12.597 ( 8.453 -0.439 6.592) 10.728 12.998 ( -1.131 -0.018 1.542) 1.912 13.206 ( -4.470 -3.906 -3.930) 7.119 14.241 ( 2.507 -1.335 2.899) 4.059 14.529 ( -4.970 -8.549 -3.772) 10.584 15.147 ( 5.048 0.574 3.435) 6.133 15.435 ( -5.133 0.879 -4.497) 6.880 15.825 ( -1.621 -7.358 -1.891) 7.768 15.891 ( 1.132 -5.329 -1.317) 5.604 16.120 ( 5.268 2.422 2.744) 6.414 16.315 ( -1.598 -4.879 -1.813) 5.445 16.398 ( 1.873 -10.958 0.935) 11.157 16.641 ( -6.087 0.316 -7.495) 9.660 16.934 ( 2.631 0.978 6.026) 6.648 17.205 ( -4.741 2.838 -3.926) 6.779 17.445 ( 6.919 -26.067 4.563) 27.352 17.636 ( -2.168 -12.112 -1.265) 12.369 17.660 ( -1.387 -12.947 -1.133) 13.070 17.755 ( -2.452 -4.793 -1.422) 5.569 18.349 ( 2.231 -7.455 2.751) 8.253 18.445 ( 2.274 7.653 1.660) 8.154 18.912 ( 8.778 23.245 3.568) 25.102 19.346 ( 1.396 10.699 4.926) 11.861 19.388 ( -8.935 7.769 -8.172) 14.386 19.714 ( -2.137 17.558 -1.219) 17.730 20.391 ( 0.464 1.030 -0.293) 1.167 20.399 ( -1.983 2.223 -1.309) 3.253 20.656 ( 4.381 -2.794 5.102) 7.282 20.961 ( -2.243 -4.569 -3.278) 6.054 21.222 ( -0.027 3.527 2.445) 4.292 21.442 ( -1.920 3.191 -0.954) 3.844 21.780 ( 1.381 0.422 -3.642) 3.918 21.875 ( -3.403 -2.808 -5.092) 6.737 22.001 ( -2.338 1.135 2.342) 3.499 22.176 ( 2.722 -5.615 1.473) 6.412 22.285 ( 4.979 -9.669 3.037) 11.291 22.661 ( -6.280 0.166 -4.050) 7.475 22.728 ( 8.656 -20.750 7.589) 23.730 23.175 ( -2.599 -19.189 -0.847) 19.383 23.220 ( -0.630 -9.559 -1.308) 9.669 23.287 ( -7.305 1.450 -8.089) 10.996 23.562 ( 8.788 3.218 5.907) 11.067 23.781 ( -4.371 8.268 -0.960) 9.402 23.954 ( -2.871 11.229 -1.379) 11.672 24.006 ( 0.543 11.093 -1.008) 11.152 24.168 ( 0.753 6.103 2.742) 6.733 24.363 ( -1.730 1.754 -3.287) 4.108 24.410 ( 2.907 -0.224 0.220) 2.923 24.744 ( -6.175 -5.302 -11.532) 14.115 25.194 ( 4.251 -16.541 6.650) 18.328 25.380 ( -2.725 -0.869 -0.876) 2.992 25.664 ( 7.960 1.032 9.643) 12.546 26.026 ( 3.192 3.384 3.512) 5.829 29.092 ( -0.665 -1.520 0.876) 1.876 29.344 ( -0.930 2.903 -9.728) 10.195 29.679 ( 0.348 4.114 7.844) 8.864 30.085 ( -2.932 -0.163 -1.938) 3.518 30.333 ( -0.216 0.157 7.239) 7.244 30.643 ( 0.096 -0.694 -0.656) 0.959 30.855 ( 1.460 1.470 0.558) 2.146 31.011 ( -0.135 1.749 -1.398) 2.243 36.805 ( -1.337 4.492 -0.912) 4.775 36.939 ( -2.505 5.017 -8.421) 10.117 37.276 ( 6.778 14.492 3.859) 16.457 37.359 ( 0.744 5.120 4.585) 6.913 37.424 ( -5.694 14.606 0.595) 15.688 37.932 ( -2.461 4.515 -5.881) 7.812 38.084 ( 0.587 15.466 0.024) 15.477 38.200 ( -2.298 4.404 -1.896) 5.317 39.149 ( 3.256 3.430 4.122) 6.274 39.479 ( 1.303 0.574 -2.895) 3.226 39.734 ( 10.048 2.411 6.313) 12.109 40.433 ( -6.040 -1.987 -9.160) 11.151 40.685 ( -4.023 -1.069 6.726) 7.910 41.661 ( 10.372 -1.241 -25.062) 27.151 42.336 ( -4.032 -11.698 7.216) 14.324 42.656 ( -1.148 -5.790 -4.310) 7.309 ======================= Grid point 87 (35/96) ======================= q-point: (-0.33 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -20.581 20.637 -10.475) 30.971 1.546 ( -19.591 25.771 5.699) 32.870 1.890 ( 7.317 -2.094 -12.355) 14.511 2.332 ( -13.978 7.485 3.768) 16.297 2.424 ( 7.896 18.412 -7.816) 21.504 2.482 ( -8.585 17.269 -0.618) 19.295 2.640 ( 3.606 4.798 6.836) 9.096 2.738 ( 2.048 9.874 -4.886) 11.206 2.854 ( 3.439 -0.030 4.029) 5.297 2.986 ( 1.832 -2.875 -3.068) 4.586 3.164 ( 2.557 15.126 10.206) 18.426 3.344 ( 2.975 5.417 4.817) 7.835 3.490 ( -1.964 14.947 11.019) 18.673 3.534 ( -1.011 2.800 -6.178) 6.858 3.638 ( -9.771 5.367 3.643) 11.728 3.787 ( -7.699 20.978 -3.575) 22.630 3.989 ( -2.499 5.513 1.465) 6.228 4.150 ( 6.129 19.022 0.113) 19.985 4.302 ( 9.211 0.655 -15.038) 17.647 4.458 ( 2.586 9.465 -7.294) 12.226 4.673 ( -11.151 0.360 4.651) 12.087 4.715 ( 2.349 -1.556 6.396) 6.989 4.979 ( 3.948 2.363 7.050) 8.418 5.157 ( -5.819 3.491 0.896) 6.845 5.263 ( -5.650 -0.682 1.808) 5.971 5.397 ( -5.293 -0.877 -1.766) 5.649 5.598 ( 1.862 6.271 -5.402) 8.484 5.762 ( 4.785 7.889 -1.466) 9.342 6.027 ( 14.455 -3.299 5.552) 15.832 6.328 ( 6.498 -4.806 -2.910) 8.590 6.844 ( -8.185 -6.793 -6.268) 12.346 6.910 ( 9.611 0.438 4.436) 10.595 7.181 ( -23.070 7.470 -12.831) 27.435 7.372 ( 19.131 2.572 18.686) 26.866 7.764 ( -15.454 10.048 -7.263) 19.813 7.979 ( 12.544 14.317 10.901) 21.936 8.489 ( 2.047 -2.286 1.204) 3.296 8.600 ( 2.378 3.814 -3.310) 5.582 8.946 ( -4.029 -6.342 0.478) 7.529 9.178 ( 3.882 -1.663 1.102) 4.364 9.320 ( 4.421 -2.004 1.044) 4.965 9.400 ( -4.470 -10.624 2.351) 11.763 9.480 ( -2.669 2.106 -5.903) 6.812 9.791 ( 5.227 -1.325 -0.398) 5.407 10.013 ( -12.239 6.302 -8.225) 16.036 10.152 ( 12.913 2.950 6.754) 14.868 10.273 ( -1.594 0.538 4.386) 4.697 10.455 ( -1.210 -3.236 -0.698) 3.524 11.137 ( -2.286 -9.895 -3.168) 10.638 11.295 ( 3.305 -7.967 -0.532) 8.642 11.490 ( -0.489 -2.615 -0.171) 2.666 11.569 ( 5.581 -7.602 2.955) 9.882 11.855 ( 3.321 4.230 4.230) 6.842 12.038 ( -0.715 4.687 -5.576) 7.319 12.520 ( -7.807 -1.233 -0.181) 7.906 12.680 ( -7.364 5.578 -2.738) 9.636 13.001 ( 4.047 -7.685 3.749) 9.460 13.184 ( 5.592 -1.457 0.624) 5.812 14.351 ( 1.077 -5.693 2.282) 6.228 14.391 ( -0.794 -5.214 -0.783) 5.332 15.246 ( -8.578 -0.307 -5.885) 10.407 15.306 ( 6.795 -0.067 5.441) 8.705 15.787 ( -1.481 -5.649 -1.033) 5.930 15.899 ( 1.296 -9.123 -4.222) 10.136 16.223 ( -4.361 1.032 -4.240) 6.170 16.257 ( 4.137 -1.135 1.717) 4.621 16.474 ( -3.095 -8.909 -4.283) 10.358 16.498 ( 5.149 -3.654 2.714) 6.873 17.020 ( 1.990 2.551 5.124) 6.060 17.116 ( -1.725 2.070 -2.147) 3.446 17.484 ( -6.368 -15.464 -1.136) 16.762 17.610 ( 1.703 -15.958 1.317) 16.102 17.654 ( -3.487 -11.576 -2.727) 12.394 17.740 ( 8.518 -7.588 2.143) 11.608 18.406 ( 0.805 1.129 2.462) 2.825 18.480 ( 0.053 1.638 -1.496) 2.219 19.019 ( -17.299 14.013 -11.460) 25.039 19.177 ( 9.603 14.242 5.072) 17.910 19.475 ( 7.586 17.845 9.342) 21.524 19.639 ( -3.019 10.906 -3.392) 11.814 20.381 ( 0.504 1.145 -0.245) 1.275 20.423 ( 2.848 3.395 0.196) 4.436 20.825 ( 8.627 -4.208 4.757) 10.712 20.891 ( -1.290 -4.234 -5.342) 6.937 21.254 ( -0.557 2.362 3.555) 4.305 21.381 ( -2.087 5.162 -1.088) 5.674 21.757 ( -1.241 -0.287 -2.167) 2.514 21.769 ( -2.792 -0.621 -4.431) 5.274 22.000 ( -4.498 -1.346 5.922) 7.557 22.088 ( -5.092 -9.693 -3.210) 11.410 22.453 ( -0.867 -1.179 -3.378) 3.682 22.584 ( 7.124 -6.306 2.719) 9.895 22.961 ( -1.271 -14.389 -1.767) 14.552 23.038 ( 3.552 -13.797 1.040) 14.284 23.172 ( -2.009 -8.045 -0.869) 8.337 23.227 ( 2.094 -12.304 1.026) 12.523 23.598 ( -10.748 6.781 -5.966) 14.039 23.794 ( 10.118 5.966 6.293) 13.325 23.937 ( 1.446 9.877 0.757) 10.011 24.033 ( 3.049 10.808 -1.886) 11.387 24.228 ( 2.034 6.532 3.154) 7.533 24.316 ( 0.466 1.334 -2.704) 3.051 24.486 ( 3.264 -1.203 2.035) 4.030 24.551 ( -4.849 -1.273 -9.553) 10.789 25.224 ( -7.203 -8.442 1.930) 11.263 25.320 ( -1.327 -1.553 0.852) 2.213 25.787 ( -2.490 -2.162 4.556) 5.625 26.156 ( 7.901 -6.545 2.316) 10.518 29.099 ( 0.846 0.221 1.926) 2.115 29.244 ( -1.026 2.660 -7.959) 8.454 29.767 ( -1.011 0.722 12.604) 12.665 29.955 ( -6.693 2.505 -3.766) 8.078 30.389 ( -0.143 1.231 6.601) 6.716 30.621 ( -1.305 -0.027 -1.388) 1.905 30.919 ( 3.105 -0.218 1.170) 3.325 30.971 ( -2.022 1.664 -2.031) 3.313 36.774 ( -0.605 5.749 -1.308) 5.927 36.879 ( 2.088 5.062 -3.845) 6.691 37.289 ( -6.640 11.092 -0.796) 12.952 37.395 ( 2.816 9.874 1.666) 10.402 37.566 ( 17.674 26.350 9.674) 33.171 37.856 ( 0.482 6.007 -7.416) 9.556 38.123 ( -2.257 6.232 -1.981) 6.918 38.134 ( 1.598 9.866 0.714) 10.020 39.250 ( 2.899 2.126 4.554) 5.802 39.391 ( -5.647 1.406 -4.942) 7.635 40.097 ( 14.850 -1.688 9.187) 17.543 40.277 ( 4.219 1.583 -18.481) 19.023 40.666 ( -3.265 1.135 3.699) 5.063 41.600 ( 6.487 -5.039 -27.562) 28.760 42.244 ( -12.532 -10.201 7.735) 17.914 42.524 ( -9.667 -5.118 -6.066) 12.508 ======================= Grid point 88 (36/96) ======================= q-point: (-0.17 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -18.397 28.465 -2.065) 33.955 1.182 ( -21.351 35.336 -2.279) 41.348 1.769 ( -32.239 34.394 18.817) 50.758 1.989 ( 8.586 3.410 -6.919) 11.543 2.342 ( -2.474 26.279 -0.886) 26.410 2.497 ( 7.836 -0.651 -11.839) 14.213 2.702 ( -4.668 6.900 -6.724) 10.706 2.858 ( 9.497 7.667 -0.132) 12.206 2.945 ( 4.184 -1.279 2.221) 4.907 3.010 ( 4.216 4.915 -1.240) 6.594 3.264 ( 1.556 7.029 9.548) 11.958 3.390 ( -2.829 5.444 4.009) 7.329 3.464 ( 2.877 11.589 -1.263) 12.008 3.563 ( -10.181 8.112 3.997) 13.618 3.632 ( 1.348 16.330 10.676) 19.557 3.703 ( -0.667 12.380 2.339) 12.616 3.941 ( -2.527 1.513 -1.939) 3.526 4.226 ( 5.006 20.204 -4.330) 21.261 4.334 ( 3.308 13.354 -8.045) 15.937 4.518 ( 4.716 2.913 -1.975) 5.884 4.643 ( 2.412 2.538 5.833) 6.803 4.807 ( -0.910 -0.123 5.274) 5.353 4.936 ( -6.866 -7.724 -8.502) 13.382 5.048 ( -1.871 -8.363 0.473) 8.582 5.219 ( 0.878 8.768 7.048) 11.284 5.402 ( -1.150 6.368 1.947) 6.758 5.562 ( 0.491 -3.070 3.145) 4.422 5.966 ( 13.005 2.044 5.152) 14.137 6.225 ( -9.833 -20.862 -3.903) 23.391 6.444 ( 11.517 5.944 4.806) 13.823 6.655 ( -0.307 1.570 -2.996) 3.396 6.767 ( -8.109 9.336 -10.256) 16.066 7.028 ( -1.343 1.020 -1.066) 1.996 7.348 ( -14.630 10.717 -4.456) 18.675 7.898 ( 14.014 0.254 8.384) 16.332 8.169 ( 1.054 0.534 0.677) 1.361 8.533 ( -0.890 3.114 0.084) 3.239 8.549 ( 1.201 3.776 -1.920) 4.403 8.948 ( 0.514 -4.587 5.504) 7.183 9.250 ( -2.846 -6.529 -1.922) 7.378 9.329 ( 7.454 1.785 2.145) 7.959 9.404 ( 4.000 0.707 -0.778) 4.136 9.459 ( 1.279 -0.726 -0.988) 1.772 9.717 ( -10.903 -1.138 -6.082) 12.536 9.863 ( -0.848 5.569 1.309) 5.783 10.109 ( -6.633 -7.679 -2.717) 10.505 10.459 ( 4.083 4.429 2.408) 6.488 10.611 ( 12.713 0.888 7.100) 14.588 11.003 ( -3.761 -8.525 -3.710) 10.029 11.338 ( 1.818 -1.620 0.501) 2.486 11.508 ( 0.734 -7.708 1.600) 7.907 11.621 ( -1.516 -15.508 -2.883) 15.846 12.015 ( 6.702 2.565 1.584) 7.349 12.096 ( 8.847 5.240 6.532) 12.181 12.299 ( -10.428 6.674 -4.359) 13.127 12.411 ( -13.891 7.764 -5.122) 16.717 13.151 ( 5.181 -9.970 2.268) 11.462 13.281 ( 2.632 -2.457 -0.149) 3.604 14.263 ( -2.125 -7.247 -1.916) 7.791 14.528 ( 3.294 -6.931 4.569) 8.931 15.069 ( -4.904 0.842 -2.874) 5.747 15.450 ( 3.374 0.977 2.318) 4.209 15.754 ( -1.021 -6.049 0.231) 6.139 15.891 ( 1.931 -9.311 0.404) 9.517 16.086 ( -3.878 3.285 -3.471) 6.154 16.321 ( 1.117 -8.263 0.671) 8.365 16.412 ( 0.389 -8.744 -2.076) 8.996 16.661 ( 6.421 1.993 3.899) 7.772 17.002 ( -2.878 -1.165 -3.846) 4.943 17.199 ( 7.118 2.891 5.872) 9.670 17.308 ( -8.496 -13.998 -5.353) 17.227 17.633 ( 0.348 -13.448 -0.528) 13.463 17.657 ( 1.186 -16.073 2.069) 16.249 17.905 ( 8.809 1.306 -3.814) 9.688 18.388 ( -3.523 -5.413 -3.777) 7.482 18.454 ( 1.559 8.002 -0.067) 8.153 18.703 ( -6.659 18.527 -2.030) 19.792 19.302 ( 2.331 9.139 0.959) 9.480 19.553 ( -2.547 9.043 -3.468) 10.015 19.695 ( 4.332 22.854 4.076) 23.616 20.397 ( 0.923 0.539 0.195) 1.086 20.475 ( 2.301 4.582 -0.917) 5.208 20.856 ( 2.581 -5.677 -2.536) 6.732 21.020 ( 8.075 -6.510 2.629) 10.701 21.235 ( -0.636 2.536 0.696) 2.706 21.391 ( -1.900 3.071 4.249) 5.576 21.699 ( -1.874 -3.042 5.499) 6.558 21.732 ( 0.462 -0.480 -1.607) 1.740 21.906 ( -5.366 -2.516 -0.735) 5.972 22.028 ( -2.840 -4.288 4.254) 6.674 22.324 ( -5.601 -4.730 -4.785) 8.754 22.754 ( 1.428 -13.498 -0.059) 13.573 22.826 ( 2.469 -9.059 -1.517) 9.511 23.147 ( -1.196 -10.692 0.895) 10.795 23.210 ( 5.551 2.198 5.668) 8.232 23.294 ( -1.078 -7.318 -2.665) 7.862 23.410 ( -2.104 -12.418 1.388) 12.671 23.963 ( 4.132 8.496 -2.372) 9.741 24.037 ( 6.285 6.185 7.389) 11.505 24.074 ( 4.457 6.816 -1.641) 8.308 24.222 ( -1.330 2.569 -1.398) 3.213 24.369 ( -1.808 7.064 -3.663) 8.160 24.454 ( 6.716 3.152 0.732) 7.455 24.545 ( -0.580 0.643 3.544) 3.648 25.029 ( -12.071 -2.890 -0.693) 12.432 25.322 ( -1.792 -0.335 3.922) 4.325 25.729 ( -2.508 -3.148 -3.223) 5.157 26.163 ( -4.760 -5.620 -17.157) 18.671 29.156 ( 2.784 2.941 1.614) 4.359 29.198 ( 0.707 1.249 -2.672) 3.033 29.753 ( -4.627 0.883 0.170) 4.714 29.869 ( -7.956 -3.642 8.516) 12.210 30.438 ( -1.062 -1.886 6.561) 6.909 30.588 ( -1.157 0.087 -1.027) 1.550 30.890 ( -1.661 1.557 -2.057) 3.068 30.993 ( 2.019 -0.979 0.066) 2.245 36.778 ( 0.955 5.751 0.974) 5.911 36.943 ( 5.572 5.001 0.975) 7.550 37.158 ( -6.154 7.979 -2.285) 10.332 37.449 ( 1.013 6.246 1.193) 6.439 37.819 ( 2.709 6.245 -6.916) 9.704 38.006 ( 1.291 4.498 0.286) 4.688 38.174 ( 0.809 9.614 1.648) 9.788 38.473 ( 69.369 51.413 22.078) 89.123 39.265 ( -3.166 1.418 -4.734) 5.869 39.301 ( -0.100 0.999 0.997) 1.415 39.736 ( -24.827 8.139 -46.625) 53.447 40.594 ( -0.663 7.240 4.409) 8.503 40.701 ( 19.359 -4.216 6.935) 20.991 41.473 ( 2.099 -4.686 -17.407) 18.149 42.034 ( -15.639 -5.572 5.333) 17.437 42.189 ( -21.362 -5.955 -4.847) 22.700 ======================= Grid point 89 (37/96) ======================= q-point: ( 0.00 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -0.301 32.862 8.870) 34.039 1.781 ( 0.858 36.781 -1.015) 36.805 2.120 ( -0.084 13.236 -9.185) 16.111 2.343 ( -3.049 9.084 -6.224) 11.426 2.514 ( 1.538 18.859 -4.892) 19.544 2.704 ( -4.368 11.116 -9.490) 15.255 2.976 ( 4.182 3.273 7.503) 9.192 3.067 ( 0.363 20.704 4.402) 21.170 3.114 ( -0.244 4.596 4.269) 6.277 3.311 ( 4.445 11.691 -1.065) 12.553 3.381 ( -4.527 4.190 0.492) 6.188 3.517 ( -0.177 3.714 2.868) 4.696 3.551 ( 3.386 3.093 12.521) 13.334 3.688 ( -3.670 -0.576 -1.291) 3.933 3.767 ( 0.531 11.893 7.080) 13.851 4.194 ( -3.239 27.830 0.922) 28.033 4.328 ( -0.244 13.240 -0.535) 13.253 4.397 ( -0.137 8.753 0.407) 8.763 4.467 ( -2.315 -8.719 4.561) 10.109 4.535 ( 6.573 7.611 1.504) 10.168 4.669 ( -6.488 4.500 -6.435) 10.186 4.929 ( -0.443 10.213 -3.818) 10.912 5.046 ( 6.971 16.684 -2.502) 18.254 5.087 ( 6.593 1.600 4.051) 7.902 5.321 ( -6.286 10.934 0.250) 12.615 5.407 ( -4.249 7.292 -2.803) 8.893 5.768 ( 4.717 8.266 -0.794) 9.550 6.011 ( 0.049 18.699 4.784) 19.302 6.242 ( 1.660 5.882 0.706) 6.153 6.540 ( 2.891 -5.202 0.891) 6.018 6.631 ( -10.578 6.743 -6.193) 13.990 6.919 ( -2.115 -2.715 -4.281) 5.493 7.121 ( 6.976 16.570 3.803) 18.376 7.420 ( 7.164 9.965 2.590) 12.544 8.037 ( -13.335 11.960 -9.247) 20.158 8.126 ( -2.456 6.649 -7.336) 10.200 8.522 ( 1.998 -1.448 1.766) 3.034 8.702 ( 2.787 -0.404 -2.304) 3.639 8.928 ( 0.537 0.617 9.768) 9.802 9.110 ( -1.378 -1.377 -1.619) 2.533 9.283 ( -4.952 -6.824 -3.336) 9.067 9.453 ( 1.274 -2.875 -0.664) 3.214 9.533 ( 3.559 4.181 3.991) 6.788 9.767 ( 0.877 -5.460 7.367) 9.212 9.929 ( 7.957 8.269 0.708) 11.498 10.065 ( 4.980 5.435 3.124) 8.005 10.425 ( -5.998 -3.140 -5.607) 8.790 10.585 ( -10.704 0.729 -8.467) 13.667 10.968 ( 5.117 -2.109 5.323) 7.679 11.286 ( -0.610 -10.230 0.626) 10.268 11.306 ( -1.543 -3.476 -2.780) 4.711 11.364 ( 1.784 -11.792 0.677) 11.945 12.039 ( 3.551 -4.230 0.178) 5.526 12.123 ( -6.641 -3.745 -2.729) 8.098 12.509 ( 9.891 7.991 2.798) 13.020 12.521 ( -0.786 10.530 5.218) 11.778 12.897 ( -5.390 -13.900 -2.037) 15.047 13.143 ( -1.842 -8.026 -5.571) 9.942 14.090 ( 2.585 -11.803 5.041) 13.092 14.331 ( -1.815 -11.893 -1.243) 12.095 15.087 ( 2.979 0.022 2.729) 4.040 15.399 ( -6.315 -2.626 -6.010) 9.105 15.631 ( 2.497 -10.750 4.082) 11.766 15.740 ( 1.814 -7.524 2.671) 8.187 16.051 ( 1.640 -16.008 1.139) 16.132 16.124 ( 6.789 -6.325 6.177) 11.147 16.252 ( -1.748 -6.246 -3.202) 7.233 16.518 ( -4.168 -20.242 -2.712) 20.844 16.831 ( 1.239 -10.784 -0.717) 10.878 16.942 ( -2.162 -8.100 -1.342) 8.490 17.197 ( 5.256 -16.247 5.699) 18.002 17.298 ( -0.581 -6.347 -0.137) 6.375 17.529 ( -2.243 -0.792 -5.793) 6.262 17.811 ( -13.772 -6.509 -14.173) 20.807 18.315 ( 15.454 0.441 9.330) 18.058 18.655 ( -6.888 13.939 -7.167) 17.121 19.151 ( 6.824 15.373 11.295) 20.260 19.542 ( -0.648 13.668 -3.733) 14.183 19.737 ( 1.500 11.659 -1.059) 11.803 20.047 ( -8.484 15.105 -8.319) 19.219 20.441 ( -0.218 2.302 0.966) 2.506 20.549 ( -0.426 3.460 -3.180) 4.719 20.823 ( 5.403 -5.106 4.266) 8.571 20.986 ( -2.566 -4.110 -1.841) 5.183 21.282 ( -1.371 -2.102 0.026) 2.509 21.326 ( 0.750 -0.582 -1.024) 1.396 21.612 ( -2.419 -7.652 5.726) 9.859 21.716 ( 2.834 -3.181 0.675) 4.313 21.833 ( 1.101 -4.066 -0.388) 4.230 21.887 ( -4.420 -10.827 2.934) 12.057 22.168 ( 10.904 -4.857 8.401) 14.597 22.520 ( -0.543 -4.150 -3.808) 5.658 22.635 ( 0.300 -15.050 2.870) 15.324 22.873 ( -3.440 -22.615 -1.110) 22.902 22.977 ( 0.062 -7.364 0.201) 7.367 23.119 ( -7.089 -3.569 -4.464) 9.106 23.520 ( 8.858 4.207 8.639) 13.069 23.969 ( -4.547 1.993 -6.818) 8.434 24.227 ( 1.559 -0.339 3.315) 3.679 24.288 ( 3.568 -0.224 -0.450) 3.603 24.366 ( 0.279 8.102 -1.462) 8.238 24.397 ( -1.284 7.755 -1.215) 7.954 24.452 ( 0.081 0.864 -2.493) 2.640 24.766 ( -7.818 -1.203 -2.703) 8.359 24.900 ( 5.554 5.063 11.144) 13.441 25.318 ( -2.031 -1.803 5.783) 6.389 25.631 ( -0.338 -3.390 -1.912) 3.907 25.883 ( 1.225 -5.550 -11.157) 12.521 29.235 ( -2.574 4.080 -0.458) 4.846 29.331 ( 4.591 8.054 -4.992) 10.529 29.761 ( -5.231 3.033 7.023) 9.267 29.841 ( 2.571 5.859 1.509) 6.574 30.432 ( -2.827 2.713 0.514) 3.951 30.579 ( 0.710 2.257 -2.737) 3.618 30.935 ( 1.010 2.416 -0.126) 2.622 30.968 ( -0.310 -1.270 -0.410) 1.371 36.975 ( 1.339 9.470 3.449) 10.167 37.128 ( -0.846 5.705 2.103) 6.139 37.284 ( 1.008 13.152 -4.039) 13.795 37.535 ( -3.029 6.576 -5.424) 9.047 37.966 ( 3.914 6.118 -0.009) 7.263 38.183 ( -0.153 10.333 3.149) 10.803 38.463 ( 0.139 15.055 4.197) 15.630 39.106 ( -18.743 11.432 -15.992) 27.161 39.263 ( 1.629 1.278 -0.645) 2.169 39.390 ( -8.914 9.497 -6.081) 14.375 40.082 ( 27.422 -5.781 9.758) 29.675 40.531 ( -0.637 -5.398 -10.711) 12.011 41.154 ( 11.647 1.584 7.439) 13.910 41.374 ( -10.757 -2.766 10.658) 15.393 41.701 ( 6.043 -12.263 -0.522) 13.681 41.859 ( 0.646 4.110 -9.422) 10.300 ======================= Grid point 90 (38/96) ======================= q-point: ( 0.17 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 12.439 35.056 5.942) 37.669 1.990 ( 12.461 24.843 2.757) 27.929 2.003 ( 3.581 9.401 -8.137) 12.939 2.289 ( 5.592 8.221 -6.304) 11.773 2.473 ( -1.900 20.325 -4.495) 20.903 2.603 ( -2.238 2.639 -2.796) 4.449 2.991 ( -9.077 10.011 4.839) 14.354 3.050 ( -1.738 3.266 1.175) 3.881 3.130 ( -2.716 5.701 2.604) 6.831 3.280 ( -4.714 5.450 -2.564) 7.649 3.391 ( -0.658 7.011 -4.619) 8.421 3.538 ( 0.842 3.692 5.229) 6.456 3.574 ( -4.153 4.072 4.629) 7.433 3.737 ( 2.453 13.981 4.918) 15.023 3.876 ( 2.536 14.526 12.816) 19.537 4.029 ( -7.937 20.841 2.490) 22.440 4.341 ( -2.885 5.417 -8.164) 10.213 4.434 ( 3.432 14.603 -0.174) 15.002 4.453 ( 4.454 4.062 -0.582) 6.056 4.601 ( 2.404 3.326 1.899) 4.522 4.746 ( 6.976 8.150 5.278) 11.956 4.900 ( -0.135 18.844 0.351) 18.848 5.124 ( -3.255 5.041 -3.299) 6.848 5.189 ( 7.040 5.386 4.701) 10.034 5.225 ( -3.717 2.898 -6.087) 7.698 5.306 ( 7.884 21.070 -1.542) 22.550 5.816 ( -7.581 9.034 -4.585) 12.654 6.018 ( -4.049 11.522 2.116) 12.395 6.175 ( -12.576 6.378 -4.238) 14.724 6.475 ( 14.465 10.470 10.936) 20.940 6.677 ( -3.883 -6.924 -2.177) 8.231 6.813 ( 1.902 -7.209 -2.531) 7.874 7.371 ( 0.519 17.470 -4.005) 17.930 7.439 ( 1.907 14.800 -2.702) 15.165 7.879 ( 1.285 5.880 0.273) 6.025 7.992 ( 2.580 8.019 -2.224) 8.712 8.547 ( -1.808 4.213 0.198) 4.589 8.682 ( -1.573 -2.764 -3.491) 4.722 8.994 ( -0.160 -1.254 3.754) 3.961 9.110 ( 1.243 -1.764 -1.084) 2.415 9.241 ( 1.100 -2.687 6.488) 7.108 9.422 ( -4.634 -0.934 0.095) 4.729 9.561 ( -2.259 1.500 -0.291) 2.727 9.772 ( 0.900 1.688 -1.547) 2.460 10.141 ( -6.240 -0.088 -3.369) 7.092 10.159 ( -4.231 2.078 -3.642) 5.957 10.268 ( 5.470 2.984 6.294) 8.857 10.367 ( 3.597 0.980 -0.439) 3.753 11.111 ( 2.353 -4.696 5.628) 7.698 11.156 ( -7.469 -4.647 -6.962) 11.219 11.331 ( 0.225 -13.201 0.480) 13.211 11.347 ( 0.308 -9.529 -0.318) 9.539 11.937 ( -8.247 -1.442 -1.956) 8.598 12.168 ( 6.122 -3.986 2.648) 7.771 12.473 ( -6.355 4.753 -2.368) 8.282 12.704 ( 0.720 -2.839 -0.114) 2.931 12.845 ( 5.889 -1.949 4.955) 7.939 13.060 ( -0.682 -7.840 -4.600) 9.115 14.200 ( 3.658 -12.927 5.438) 14.494 14.266 ( -2.739 -7.473 -2.203) 8.259 15.226 ( -0.905 -1.950 -1.500) 2.621 15.241 ( 4.309 -2.606 1.948) 5.400 15.707 ( -0.213 -6.363 1.276) 6.493 15.752 ( 1.333 -11.264 1.644) 11.461 16.135 ( 2.566 -9.325 1.506) 9.788 16.154 ( -3.327 -12.956 -3.984) 13.957 16.306 ( -1.868 -10.466 0.600) 10.649 16.406 ( 3.651 -13.180 1.880) 13.805 16.828 ( -5.966 -11.025 -4.367) 13.274 16.910 ( 4.648 -12.454 2.484) 13.523 17.270 ( 0.454 -5.744 1.854) 6.053 17.423 ( -2.866 -4.655 -4.456) 7.053 17.460 ( 10.918 -5.624 7.465) 14.372 17.494 ( -7.976 -13.362 -8.292) 17.633 18.431 ( -9.695 6.337 -6.701) 13.381 18.617 ( 8.686 10.141 3.107) 13.709 19.339 ( 2.775 13.577 5.002) 14.732 19.480 ( -1.592 13.770 -0.891) 13.891 19.752 ( -6.458 14.575 -6.211) 17.108 19.872 ( 6.127 13.316 1.194) 14.707 20.432 ( -1.199 1.554 0.790) 2.116 20.517 ( -0.933 4.365 -1.838) 4.827 20.818 ( -11.038 -4.324 -3.075) 12.247 20.929 ( 1.499 -4.269 3.807) 5.913 21.258 ( -0.249 0.188 0.359) 0.476 21.382 ( 3.911 -3.349 -0.233) 5.155 21.649 ( 3.833 -5.428 0.433) 6.659 21.777 ( 2.382 -6.500 2.544) 7.375 21.873 ( 0.633 -6.234 1.317) 6.403 21.897 ( 3.174 -7.796 2.502) 8.781 22.348 ( -6.271 -0.219 -5.382) 8.266 22.456 ( 4.450 -3.657 0.681) 5.801 22.678 ( -8.405 -22.035 -2.426) 23.708 22.732 ( 1.718 -18.149 5.314) 18.989 23.005 ( -2.147 -8.051 -1.252) 8.426 23.080 ( 8.192 -5.122 5.022) 10.889 23.743 ( 6.022 1.977 5.162) 8.174 23.818 ( -3.871 3.764 -6.564) 8.499 24.211 ( -3.560 2.603 3.153) 5.421 24.256 ( -3.622 2.302 -3.986) 5.857 24.332 ( -1.344 4.405 -5.076) 6.854 24.443 ( 2.629 5.537 7.437) 9.638 24.505 ( 4.186 5.792 0.891) 7.202 24.613 ( -4.204 -5.415 -5.610) 8.858 24.960 ( -8.211 -3.253 7.033) 11.291 25.369 ( 2.520 2.427 5.256) 6.314 25.642 ( 3.615 -1.179 -1.194) 3.985 25.836 ( 2.903 -2.238 -10.156) 10.797 29.141 ( -4.777 4.115 -0.954) 6.377 29.415 ( 7.416 6.542 -2.998) 10.333 29.723 ( -3.868 3.961 5.344) 7.695 29.964 ( 6.670 3.707 1.751) 7.829 30.377 ( -3.149 3.418 0.306) 4.658 30.588 ( 2.339 1.949 -1.940) 3.611 30.924 ( -1.542 -0.114 -0.603) 1.660 30.993 ( 2.829 1.852 -0.061) 3.382 37.012 ( -1.802 9.687 2.787) 10.240 37.122 ( 1.260 6.041 3.974) 7.340 37.312 ( 1.406 10.698 -4.297) 11.614 37.445 ( 1.348 6.976 -6.527) 9.648 38.002 ( -3.645 8.939 1.974) 9.853 38.164 ( -1.580 12.207 -2.073) 12.482 38.472 ( -6.465 15.705 5.891) 17.976 38.698 ( -8.166 22.102 -0.629) 23.571 39.258 ( -3.330 4.272 -4.239) 6.878 39.377 ( 8.056 3.603 1.524) 8.956 40.044 ( -19.442 -1.683 -10.954) 22.379 40.565 ( 1.896 -8.556 2.684) 9.165 40.971 ( -16.812 2.978 1.606) 17.149 41.457 ( 3.757 -17.683 1.663) 18.154 41.915 ( 11.408 1.373 -1.657) 11.609 42.108 ( 25.128 -10.252 -2.546) 27.259 ======================= Grid point 91 (39/96) ======================= q-point: ( 0.33 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 10.246 19.673 -2.506) 22.323 1.968 ( 11.453 26.892 -5.609) 29.763 2.328 ( 13.392 9.940 -4.469) 17.266 2.364 ( -1.318 15.306 -7.509) 17.099 2.503 ( 12.033 15.543 11.083) 22.566 2.561 ( -3.140 -1.345 7.961) 8.663 2.823 ( -9.852 13.585 -0.364) 16.785 2.992 ( -10.929 2.689 -2.008) 11.433 3.058 ( -1.569 9.020 2.754) 9.561 3.158 ( -7.257 6.831 -0.231) 9.969 3.353 ( -8.965 13.340 1.179) 16.116 3.388 ( 1.083 4.586 0.053) 4.712 3.608 ( -7.130 14.928 5.041) 17.294 3.793 ( 0.771 6.817 4.653) 8.290 3.969 ( 3.774 11.684 -1.161) 12.334 4.123 ( 12.628 4.970 7.120) 15.325 4.279 ( 1.182 3.209 -6.516) 7.359 4.457 ( -1.965 1.384 -3.174) 3.981 4.534 ( -1.357 12.368 -4.678) 13.293 4.573 ( -0.096 9.612 3.218) 10.137 4.851 ( 4.198 19.057 -0.652) 19.525 4.937 ( 0.344 16.775 1.302) 16.829 5.025 ( -3.353 5.641 -1.821) 6.811 5.158 ( -1.078 -6.683 -6.938) 9.693 5.337 ( 3.641 -0.720 0.403) 3.733 5.481 ( 8.273 15.211 3.164) 17.602 5.640 ( -5.323 26.893 2.166) 27.500 5.916 ( 0.827 6.009 4.556) 7.586 6.063 ( -6.950 8.513 -0.141) 10.991 6.482 ( -4.986 -9.159 -4.847) 11.500 6.828 ( 4.453 6.499 1.538) 8.027 6.852 ( 2.097 -0.199 2.711) 3.433 7.077 ( -6.777 22.987 -7.582) 25.136 7.581 ( 6.908 5.483 -3.597) 9.525 7.905 ( 1.199 6.739 5.560) 8.819 8.165 ( 2.601 13.745 2.504) 14.211 8.556 ( 5.648 2.087 0.581) 6.049 8.632 ( -0.411 3.351 -0.603) 3.430 9.002 ( -1.936 -5.497 -1.715) 6.075 9.103 ( 0.612 4.473 3.509) 5.718 9.282 ( -7.265 -2.235 -1.218) 7.698 9.422 ( 3.874 -5.528 2.044) 7.053 9.482 ( 0.962 -4.063 1.836) 4.561 9.679 ( -10.336 9.713 -7.114) 15.868 9.913 ( -1.545 1.792 -2.622) 3.532 10.028 ( -4.884 -0.672 -1.407) 5.127 10.520 ( 5.798 -2.745 1.501) 6.588 10.554 ( 9.728 1.157 8.753) 13.137 10.965 ( -5.926 -6.533 -4.780) 10.032 11.049 ( -8.586 -6.109 -0.478) 10.548 11.334 ( 0.461 -10.614 -0.142) 10.625 11.412 ( 3.592 -4.012 1.076) 5.491 11.807 ( -4.557 -3.133 0.616) 5.564 12.292 ( 4.001 -6.629 0.913) 7.797 12.355 ( -1.631 -2.966 -1.442) 3.679 12.603 ( -6.361 0.252 -0.869) 6.425 12.981 ( 2.592 2.026 0.806) 3.388 13.096 ( 4.035 -8.579 1.057) 9.540 14.198 ( -1.307 -3.879 -2.049) 4.577 14.295 ( 1.207 -16.600 2.334) 16.807 15.145 ( -0.645 1.621 -1.994) 2.650 15.440 ( 6.693 -1.799 3.600) 7.810 15.692 ( 0.680 -10.924 1.159) 11.006 15.749 ( -4.012 -7.767 -3.973) 9.602 16.077 ( 0.926 -13.877 0.110) 13.908 16.141 ( -4.867 -10.667 -4.456) 12.543 16.199 ( 0.010 -1.581 -0.031) 1.581 16.578 ( 4.197 -27.720 2.781) 28.174 16.739 ( -0.946 -6.528 0.768) 6.641 16.949 ( -0.685 -5.621 -0.356) 5.674 17.220 ( -3.155 -14.199 -2.894) 14.831 17.395 ( 2.978 -7.306 0.732) 7.923 17.432 ( -0.043 -7.059 -0.142) 7.060 17.756 ( 11.140 2.553 9.380) 14.785 18.167 ( -10.607 -4.286 -7.435) 13.644 18.716 ( 1.282 17.481 0.618) 17.539 19.283 ( -2.211 15.374 -5.071) 16.339 19.511 ( 1.790 9.649 0.984) 9.863 19.635 ( -2.651 11.117 0.038) 11.429 20.082 ( 7.711 16.310 5.068) 18.739 20.418 ( -0.961 1.371 0.111) 1.678 20.497 ( 0.027 4.195 0.573) 4.234 20.607 ( -8.419 -3.136 -2.118) 9.230 20.935 ( -1.738 -3.223 -0.386) 3.682 21.261 ( -0.187 0.980 1.216) 1.573 21.454 ( 2.756 -2.748 0.629) 3.942 21.736 ( 6.223 -2.662 -2.330) 7.158 21.827 ( 0.790 -10.726 0.635) 10.773 21.926 ( 4.405 -0.009 1.163) 4.556 21.972 ( 2.506 -14.578 2.845) 15.063 22.159 ( -7.024 -0.395 -5.109) 8.695 22.292 ( -9.224 -13.672 -3.454) 16.851 22.692 ( 1.352 -6.564 1.537) 6.875 22.779 ( -1.223 -17.307 2.982) 17.605 23.009 ( 1.176 -10.323 0.915) 10.430 23.291 ( 8.190 -4.340 3.800) 10.017 23.614 ( -5.559 5.061 -7.165) 10.386 23.923 ( 4.461 3.621 3.659) 6.812 24.151 ( -3.488 2.474 -2.696) 5.055 24.194 ( -1.550 3.878 2.899) 5.084 24.288 ( 0.260 5.461 -3.293) 6.382 24.445 ( -3.002 4.118 -4.066) 6.519 24.543 ( -1.065 7.955 -0.674) 8.054 24.645 ( 6.137 -13.395 8.260) 16.891 24.821 ( -9.100 -3.524 0.996) 9.809 25.411 ( -0.446 1.382 0.929) 1.724 25.677 ( 1.389 5.060 -1.618) 5.491 25.878 ( 5.939 -8.211 -1.493) 10.243 29.085 ( -1.534 1.901 0.778) 2.563 29.487 ( 3.198 5.562 -6.592) 9.199 29.721 ( -0.824 4.225 5.942) 7.337 30.070 ( 3.612 0.979 0.471) 3.772 30.341 ( -1.799 4.198 3.039) 5.486 30.622 ( 2.257 1.198 -0.800) 2.677 30.891 ( -1.150 1.114 -0.409) 1.653 31.042 ( 2.386 2.214 -0.712) 3.332 36.974 ( -2.398 8.325 0.302) 8.669 37.198 ( -3.440 5.737 -5.585) 8.714 37.268 ( 5.836 9.439 5.920) 12.578 37.500 ( 5.857 10.554 -2.206) 12.270 37.869 ( -8.853 15.544 1.204) 17.928 38.130 ( -1.515 10.571 -1.335) 10.762 38.396 ( -3.781 11.834 2.083) 12.597 38.654 ( -7.052 24.186 5.021) 25.688 39.203 ( 0.757 5.808 -1.251) 5.990 39.473 ( -0.305 2.232 -3.964) 4.560 39.711 ( -0.256 2.488 -4.713) 5.335 40.534 ( -5.613 -5.317 -1.566) 7.889 40.735 ( -11.902 0.570 6.389) 13.520 41.504 ( 7.226 -16.256 -13.085) 22.083 42.103 ( 6.426 -1.803 4.195) 7.883 42.413 ( 10.746 -11.678 -2.716) 16.100 ======================= Grid point 92 (40/96) ======================= q-point: (-0.50 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 5.815 10.279 -8.417) 14.503 2.190 ( -0.215 25.986 8.522) 27.349 2.212 ( -1.560 30.869 -15.679) 34.658 2.467 ( 2.959 1.161 0.129) 3.181 2.640 ( -4.733 10.139 3.825) 11.825 2.668 ( -1.056 2.274 9.726) 10.044 2.760 ( 3.130 5.437 -1.571) 6.467 2.792 ( 0.604 11.362 2.690) 11.691 3.043 ( -3.447 19.042 6.200) 20.320 3.069 ( 0.501 11.293 -4.687) 12.237 3.299 ( -1.425 7.468 8.282) 11.243 3.436 ( 2.224 1.030 1.505) 2.876 3.571 ( 0.217 14.033 5.663) 15.135 3.783 ( -4.694 6.785 2.634) 8.661 4.050 ( 6.187 5.618 -3.573) 9.089 4.171 ( -9.490 6.703 -11.379) 16.263 4.206 ( -12.727 -0.178 -3.592) 13.225 4.415 ( 8.438 6.943 -3.324) 11.421 4.449 ( 3.492 7.734 -2.866) 8.956 4.614 ( -0.791 6.495 0.316) 6.551 4.853 ( -3.135 20.901 -3.972) 21.504 4.904 ( -1.230 19.145 -0.980) 19.210 5.080 ( 5.842 6.617 6.683) 11.071 5.184 ( 7.628 -4.450 -2.199) 9.100 5.304 ( -4.465 -0.223 -2.933) 5.347 5.578 ( -5.598 17.386 2.347) 18.416 5.675 ( 7.355 23.451 10.393) 26.685 5.883 ( -5.844 7.736 -2.449) 10.000 5.999 ( 0.479 8.379 0.632) 8.416 6.544 ( 8.510 -8.696 7.227) 14.151 6.620 ( -9.399 10.162 -15.523) 20.798 6.881 ( -1.580 0.747 -2.795) 3.296 7.173 ( 11.429 18.185 9.831) 23.622 7.764 ( -2.641 2.285 -4.746) 5.892 7.809 ( 1.559 3.296 5.795) 6.846 8.164 ( -4.507 12.558 -1.624) 13.441 8.603 ( -3.499 10.109 -1.866) 10.859 8.616 ( 2.753 1.212 0.096) 3.010 9.005 ( 5.138 -8.203 -0.436) 9.689 9.061 ( -9.669 5.292 -6.020) 12.559 9.196 ( 1.873 2.111 5.021) 5.759 9.406 ( -6.816 -0.200 -4.559) 8.202 9.519 ( 3.159 -10.050 3.293) 11.037 9.655 ( 7.481 5.405 0.590) 9.248 9.982 ( 2.286 1.794 1.205) 3.146 10.025 ( 7.946 0.842 10.787) 13.424 10.438 ( -10.614 0.486 -9.534) 14.275 10.608 ( -6.275 -1.306 -2.853) 7.016 10.966 ( 4.346 -8.125 2.696) 9.600 10.989 ( 4.571 -3.377 2.826) 6.347 11.355 ( -0.205 -9.503 0.862) 9.544 11.422 ( -1.709 -4.445 -1.567) 5.014 11.803 ( 1.958 -1.919 4.500) 5.270 12.234 ( -4.485 -2.619 -7.725) 9.308 12.417 ( 4.678 -8.856 5.484) 11.418 12.588 ( 1.421 -0.754 3.760) 4.089 13.004 ( 0.938 0.689 0.466) 1.254 13.106 ( -3.061 -5.857 -2.336) 7.010 14.186 ( 1.481 -4.880 -0.828) 5.166 14.272 ( -3.597 -16.640 -2.132) 17.157 15.168 ( 3.070 1.323 1.830) 3.811 15.434 ( -6.909 -1.947 -5.332) 8.942 15.643 ( -0.150 -10.533 -2.424) 10.809 15.734 ( 0.421 -8.671 -1.841) 8.874 16.080 ( 2.108 -10.701 1.114) 10.964 16.170 ( 4.862 -10.791 4.172) 12.550 16.213 ( 0.775 -3.577 0.713) 3.728 16.524 ( -6.648 -15.528 -6.515) 18.104 16.781 ( 2.316 -16.853 4.510) 17.599 16.960 ( 0.337 -6.185 0.863) 6.254 17.230 ( 4.564 -12.932 2.682) 13.974 17.397 ( -2.303 -8.481 -1.830) 8.977 17.442 ( 1.621 -6.656 0.881) 6.907 17.725 ( -12.287 1.581 -7.581) 14.524 18.225 ( 12.063 -2.006 10.718) 16.261 18.700 ( -2.155 16.606 -2.337) 16.907 19.300 ( 5.606 15.213 1.048) 16.247 19.542 ( -3.689 8.955 -4.665) 10.750 19.600 ( 2.745 11.154 5.605) 12.781 20.077 ( -7.480 14.749 -5.385) 17.392 20.419 ( 1.093 1.958 0.752) 2.365 20.456 ( -1.482 2.644 -1.494) 3.379 20.613 ( 4.347 -0.949 5.370) 6.974 20.887 ( -1.481 -2.492 -3.475) 4.525 21.270 ( -0.452 0.762 2.343) 2.504 21.466 ( -0.613 -2.038 -1.234) 2.460 21.787 ( -2.806 -4.341 -3.279) 6.121 21.806 ( 1.824 -1.386 -2.904) 3.699 21.961 ( -4.590 -14.196 -0.169) 14.920 21.986 ( -0.560 -4.058 1.117) 4.246 22.159 ( 8.691 -1.034 4.744) 9.955 22.310 ( 8.591 -18.172 7.987) 21.629 22.657 ( -4.676 -1.891 -3.612) 6.204 22.743 ( -3.456 -19.476 -0.915) 19.801 23.005 ( -0.974 -9.152 -0.429) 9.214 23.261 ( -7.677 -1.837 -7.819) 11.111 23.658 ( 9.832 3.990 5.094) 11.770 23.934 ( -5.754 4.459 -1.879) 7.518 24.099 ( -0.496 2.724 -1.403) 3.104 24.223 ( 2.905 5.583 3.182) 7.052 24.280 ( 1.376 2.990 -2.677) 4.243 24.381 ( -0.539 5.028 -2.360) 5.580 24.480 ( -2.221 5.092 -3.243) 6.432 24.671 ( -6.671 0.499 -2.922) 7.300 24.856 ( 6.640 -14.468 12.525) 20.256 25.380 ( -2.261 -0.225 -2.766) 3.579 25.722 ( 2.245 2.788 2.620) 4.436 25.937 ( 1.679 -10.766 -0.751) 10.922 29.085 ( 0.215 1.633 1.865) 2.488 29.426 ( -0.999 4.969 -10.143) 11.339 29.778 ( -0.139 4.952 7.744) 9.193 30.085 ( -1.405 -0.042 -1.798) 2.282 30.371 ( 0.640 4.107 5.892) 7.211 30.643 ( 0.631 1.082 -0.891) 1.537 30.889 ( 0.699 1.824 1.131) 2.257 31.053 ( -0.134 2.110 -1.918) 2.855 36.947 ( -0.590 8.519 -0.200) 8.541 37.068 ( -2.934 7.989 -7.047) 11.049 37.460 ( 3.402 6.872 10.924) 13.346 37.623 ( 11.477 13.729 1.081) 17.927 37.740 ( -7.861 16.488 1.202) 18.305 38.065 ( -2.270 7.166 -5.748) 9.463 38.358 ( -0.860 13.154 0.096) 13.182 38.509 ( -5.613 23.868 -4.004) 24.844 39.245 ( 2.341 5.660 2.818) 6.743 39.502 ( 3.941 2.104 -0.332) 4.480 39.791 ( 6.461 2.789 4.629) 8.423 40.392 ( -3.379 -1.807 -8.484) 9.309 40.662 ( -3.720 -1.051 8.127) 9.000 41.490 ( 4.729 -15.927 -17.649) 24.238 42.185 ( -2.090 -1.993 5.828) 6.504 42.478 ( -0.088 -10.868 -3.553) 11.434 ======================= Grid point 93 (41/96) ======================= q-point: (-0.33 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -17.843 26.020 -9.667) 32.998 1.952 ( -0.499 16.622 -2.595) 16.831 2.248 ( -1.481 30.809 4.423) 31.160 2.452 ( -3.989 0.600 0.185) 4.038 2.581 ( -3.293 15.554 2.526) 16.098 2.707 ( 0.682 -3.907 7.966) 8.899 2.825 ( 3.338 13.430 -1.078) 13.881 2.955 ( 8.977 6.966 2.466) 11.627 3.027 ( 0.872 13.357 -2.200) 13.565 3.103 ( 4.651 15.170 -2.815) 16.114 3.376 ( 1.938 0.756 8.006) 8.272 3.538 ( 0.089 4.869 5.346) 7.232 3.568 ( -1.472 9.638 -1.979) 9.948 3.714 ( -6.461 7.707 -0.093) 10.057 3.898 ( -1.226 15.270 -2.236) 15.482 3.967 ( -12.000 2.462 1.130) 12.302 4.222 ( 12.213 1.514 -3.738) 12.861 4.381 ( 0.463 24.317 -4.886) 24.807 4.541 ( 3.153 9.088 -0.778) 9.651 4.610 ( -3.210 -1.842 -0.101) 3.703 4.739 ( -6.932 11.078 -1.004) 13.106 4.905 ( 2.577 19.522 0.249) 19.692 5.015 ( -7.514 -1.104 -5.787) 9.549 5.223 ( -4.517 3.419 -1.102) 5.772 5.383 ( 6.239 8.917 8.444) 13.774 5.460 ( -2.357 13.794 -2.044) 14.143 5.873 ( 1.483 14.513 1.569) 14.673 5.948 ( 2.238 15.215 6.441) 16.673 6.029 ( 8.738 8.554 0.052) 12.228 6.352 ( -0.131 8.227 -7.186) 10.924 6.700 ( -5.206 -6.053 -2.237) 8.292 6.855 ( 6.250 -4.829 2.238) 8.209 7.396 ( -14.784 12.060 -10.890) 21.968 7.556 ( 15.787 14.607 13.071) 25.169 7.888 ( -13.674 1.988 -6.839) 15.418 8.134 ( 11.561 -1.891 9.161) 14.871 8.560 ( -3.433 11.974 -0.445) 12.464 8.731 ( 6.559 6.197 4.480) 10.074 8.837 ( -7.546 -0.924 -7.904) 10.967 9.096 ( 6.306 -5.132 -1.294) 8.233 9.250 ( -3.937 -3.858 3.233) 6.390 9.325 ( 2.860 2.189 3.265) 4.861 9.533 ( -1.439 2.739 -3.207) 4.456 9.715 ( -0.157 -4.585 -5.389) 7.077 10.123 ( -7.321 3.874 -6.721) 10.667 10.145 ( 8.108 -1.569 5.732) 10.053 10.349 ( 9.129 4.027 11.784) 15.441 10.416 ( -7.227 1.583 -4.061) 8.440 10.998 ( -1.877 -4.371 -3.716) 6.036 11.162 ( 8.883 -6.329 1.599) 11.023 11.326 ( -2.252 -9.427 0.615) 9.712 11.383 ( -0.634 -8.281 0.446) 8.317 11.929 ( 6.059 0.807 6.451) 8.887 12.099 ( -2.711 -0.636 -6.999) 7.532 12.502 ( -2.902 -0.555 1.031) 3.129 12.671 ( 6.728 -10.487 2.736) 12.757 12.910 ( -10.181 2.052 -2.516) 10.686 13.110 ( 4.835 -5.385 2.253) 7.580 14.148 ( -5.306 -13.808 -3.243) 15.144 14.253 ( 3.989 -9.504 1.409) 10.403 15.225 ( -7.829 -2.199 -4.784) 9.435 15.288 ( 5.883 -2.198 4.872) 7.949 15.655 ( -2.496 -7.694 -3.523) 8.823 15.678 ( 1.599 -9.961 -1.720) 10.234 16.145 ( -3.744 -10.750 -2.218) 11.597 16.189 ( 4.193 -9.761 2.805) 10.987 16.269 ( -6.090 -8.071 -3.380) 10.661 16.395 ( 4.803 -8.004 1.819) 9.510 16.885 ( 3.596 -11.635 4.803) 13.090 16.914 ( -3.416 -16.074 -2.410) 16.609 17.265 ( -3.913 -11.271 -1.383) 12.011 17.438 ( 6.599 -7.489 1.664) 10.119 17.445 ( -9.845 -4.701 -5.815) 12.363 17.567 ( 10.176 -4.353 7.749) 13.511 18.493 ( 4.417 7.118 5.487) 10.014 18.593 ( -2.799 9.463 -4.950) 11.041 19.293 ( -12.261 12.615 -7.099) 18.971 19.448 ( 4.884 13.532 1.618) 14.477 19.823 ( 9.757 13.056 8.374) 18.324 19.891 ( -2.975 11.542 -3.955) 12.558 20.413 ( -0.244 1.838 -0.038) 1.854 20.508 ( 4.584 4.703 0.434) 6.581 20.740 ( 5.388 -3.639 3.414) 7.344 20.824 ( -1.263 -2.043 -4.736) 5.310 21.279 ( -1.222 -0.411 2.781) 3.065 21.440 ( -0.882 -0.763 -0.601) 1.312 21.703 ( -2.642 -6.522 -2.401) 7.435 21.758 ( -5.408 -1.714 -1.845) 5.965 21.883 ( -3.273 -7.840 0.482) 8.509 21.969 ( -2.688 -3.707 2.228) 5.093 22.392 ( 9.671 -4.127 5.742) 11.981 22.417 ( -9.075 -9.435 -11.563) 17.466 22.613 ( 4.480 -16.951 4.333) 18.060 22.675 ( 2.702 -17.519 2.297) 17.874 23.033 ( 2.257 -3.517 3.224) 5.278 23.065 ( -5.192 -4.102 -4.082) 7.775 23.715 ( -11.619 3.283 -7.154) 14.034 23.903 ( 9.750 3.604 6.478) 12.248 24.091 ( 0.375 2.712 -0.192) 2.745 24.237 ( -0.585 8.253 -6.138) 10.302 24.354 ( 4.103 7.450 3.902) 9.357 24.401 ( 3.644 2.416 -0.702) 4.428 24.475 ( 3.700 2.016 2.037) 4.680 24.537 ( -4.430 2.104 -4.286) 6.513 25.042 ( 1.567 -9.440 11.144) 14.689 25.278 ( -4.303 -2.777 -5.763) 7.709 25.725 ( -3.756 -3.910 1.083) 5.529 25.978 ( 3.319 -10.166 -0.835) 10.727 29.132 ( 2.928 3.494 3.423) 5.701 29.327 ( -0.397 5.459 -9.214) 10.717 29.811 ( -3.737 3.029 7.597) 8.992 30.014 ( -3.931 3.102 -2.075) 5.420 30.432 ( 0.359 3.277 5.321) 6.260 30.632 ( -0.500 1.490 -1.695) 2.312 30.921 ( 0.871 0.542 1.466) 1.789 31.012 ( -1.828 2.136 -2.320) 3.646 36.936 ( -0.427 9.649 -1.187) 9.731 37.019 ( 2.090 8.358 -1.878) 8.818 37.524 ( -5.089 9.921 4.695) 12.098 37.593 ( -4.534 12.737 -0.027) 13.520 37.946 ( 14.912 9.053 8.490) 19.401 37.987 ( 0.870 5.339 -10.111) 11.467 38.376 ( 1.261 18.128 1.368) 18.223 38.502 ( 11.958 23.980 0.859) 26.810 39.318 ( 1.977 4.218 3.361) 5.745 39.433 ( -6.693 3.208 -4.919) 8.904 40.074 ( 10.749 -0.455 6.739) 12.695 40.291 ( 5.689 -0.427 -11.014) 12.403 40.699 ( 0.850 2.159 4.004) 4.628 41.389 ( 0.081 -14.922 -15.305) 21.376 42.130 ( -8.443 -1.494 4.804) 9.828 42.354 ( -10.417 -10.243 -4.324) 15.236 ======================= Grid point 94 (42/96) ======================= q-point: (-0.17 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -14.733 29.901 1.639) 33.374 1.875 ( -5.166 28.903 -2.649) 29.481 2.224 ( -3.302 20.570 -6.552) 21.839 2.386 ( -3.859 15.922 6.501) 17.626 2.530 ( 0.865 17.610 -6.424) 18.765 2.795 ( 3.596 0.911 -1.607) 4.043 2.854 ( 0.196 12.821 4.000) 13.432 3.030 ( 2.551 10.770 -1.135) 11.126 3.079 ( 0.436 9.455 3.337) 10.037 3.223 ( 10.056 15.832 -4.265) 19.234 3.405 ( -5.811 7.676 10.779) 14.452 3.485 ( -1.300 0.585 4.194) 4.430 3.530 ( -5.544 6.820 -4.781) 10.005 3.671 ( 4.381 3.416 3.475) 6.553 3.803 ( -7.631 2.184 1.726) 8.123 4.059 ( 10.392 17.263 3.384) 20.432 4.353 ( 1.512 12.985 -2.322) 13.278 4.391 ( 4.833 19.518 0.086) 20.108 4.469 ( -6.917 -6.717 0.911) 9.685 4.601 ( -8.744 2.302 3.567) 9.720 4.735 ( 13.600 8.503 5.198) 16.860 4.852 ( -3.947 0.139 -5.003) 6.374 4.972 ( 2.348 12.883 -7.588) 15.135 5.070 ( -4.360 11.765 -1.262) 12.610 5.419 ( -3.192 12.275 0.242) 12.686 5.494 ( -5.781 -0.353 3.204) 6.619 5.843 ( -1.576 28.324 -7.034) 29.227 5.923 ( -0.556 2.525 5.399) 5.986 6.145 ( 8.277 7.823 -0.547) 11.402 6.522 ( -1.182 -1.651 -3.066) 3.677 6.644 ( 10.948 6.256 6.719) 14.288 6.935 ( 0.744 -0.853 -3.605) 3.778 7.121 ( -5.850 12.677 -2.321) 14.153 7.523 ( -15.635 6.881 -5.694) 18.006 7.981 ( 14.996 8.455 7.393) 18.736 8.288 ( -3.687 10.149 -1.693) 10.930 8.534 ( 0.381 -1.888 0.897) 2.125 8.651 ( -0.753 4.704 -6.143) 7.773 8.851 ( 1.059 -2.633 6.608) 7.191 9.158 ( -2.573 -1.709 0.128) 3.092 9.324 ( 8.086 -3.928 7.186) 11.509 9.400 ( 2.692 -0.291 -3.368) 4.322 9.498 ( -0.881 3.106 -0.770) 3.319 9.600 ( -0.531 -6.724 -2.980) 7.374 9.997 ( -2.551 4.709 -0.732) 5.406 10.071 ( -8.455 6.223 -6.301) 12.244 10.471 ( 3.352 -3.304 2.994) 5.578 10.623 ( 9.211 -0.428 6.872) 11.500 10.906 ( -1.936 0.912 -2.774) 3.504 11.254 ( 3.381 -12.680 -1.600) 13.220 11.332 ( 0.302 -1.737 2.034) 2.692 11.365 ( -2.473 -9.942 -1.672) 10.381 12.009 ( 0.864 -3.178 -3.529) 4.827 12.131 ( 6.035 -2.858 5.619) 8.727 12.421 ( -2.099 5.265 -2.635) 6.251 12.603 ( -9.117 7.990 -2.839) 12.451 12.907 ( 3.610 -11.973 4.123) 13.168 13.183 ( 1.164 -7.667 -0.943) 7.812 14.059 ( -2.126 -12.367 0.336) 12.553 14.330 ( 2.112 -13.277 1.232) 13.500 15.088 ( -3.480 0.738 -1.352) 3.805 15.446 ( 4.193 -2.483 3.540) 6.024 15.591 ( -0.105 -9.651 -0.047) 9.652 15.690 ( -0.107 -9.010 -0.629) 9.033 16.055 ( -1.733 -11.769 -0.986) 11.936 16.101 ( -5.586 -8.820 -3.177) 10.913 16.265 ( 1.827 -4.582 -0.137) 4.935 16.528 ( 3.388 -18.658 2.708) 19.155 16.841 ( -1.208 -14.861 -1.570) 14.993 16.958 ( 0.693 -6.000 1.197) 6.157 17.157 ( -3.823 -15.347 -2.375) 15.993 17.329 ( -1.961 -8.485 0.898) 8.755 17.544 ( 3.944 -2.608 -1.202) 4.879 17.890 ( 14.912 0.669 9.148) 17.507 18.248 ( -13.997 -3.837 -13.006) 19.489 18.728 ( 4.938 15.780 2.527) 16.727 19.055 ( -6.043 14.687 -0.757) 15.899 19.535 ( 3.252 13.456 -0.434) 13.851 19.765 ( -2.173 10.279 -3.261) 11.001 20.109 ( 5.644 14.832 4.690) 16.548 20.421 ( 1.040 1.671 0.321) 1.994 20.570 ( 1.781 4.642 -1.597) 5.222 20.747 ( 0.160 -4.243 -2.570) 4.964 20.911 ( 8.303 -4.020 1.677) 9.377 21.269 ( -0.810 0.202 0.886) 1.218 21.410 ( -4.383 -1.814 0.997) 4.847 21.631 ( -5.137 -4.335 2.756) 7.265 21.676 ( 1.089 -5.946 -1.904) 6.338 21.850 ( -1.961 -3.109 1.472) 3.959 21.951 ( -1.877 -4.813 4.605) 6.921 22.119 ( -10.037 -12.473 -7.762) 17.792 22.512 ( 2.472 -11.091 -3.861) 12.001 22.625 ( 0.637 -5.867 3.882) 7.064 22.848 ( 4.330 -21.497 2.457) 22.066 22.991 ( -0.471 -8.033 0.485) 8.061 23.173 ( 4.714 -1.837 5.919) 7.786 23.457 ( -8.085 4.826 -5.242) 10.777 24.062 ( 0.305 0.171 -0.076) 0.358 24.136 ( 4.464 0.895 3.243) 5.589 24.190 ( 3.302 9.091 -3.100) 10.157 24.396 ( 0.361 10.363 -1.354) 10.457 24.425 ( 1.121 -1.201 -7.182) 7.368 24.481 ( -0.057 -0.098 -0.036) 0.119 24.646 ( 6.751 7.103 12.667) 16.015 24.982 ( -9.091 -1.431 -4.235) 10.131 25.266 ( 1.858 -5.006 6.135) 8.133 25.660 ( -2.363 -3.842 -0.740) 4.571 25.975 ( -1.175 -11.233 -6.395) 12.979 29.227 ( 2.630 3.827 2.539) 5.292 29.287 ( 3.908 7.396 -5.684) 10.114 29.778 ( -4.223 2.049 4.709) 6.648 29.911 ( -7.172 5.140 0.989) 8.879 30.457 ( -1.318 2.690 2.788) 4.092 30.603 ( -0.717 1.771 -2.351) 3.029 30.926 ( 0.054 1.565 -0.907) 1.810 30.980 ( -0.614 0.150 -0.136) 0.646 36.935 ( 0.902 9.410 0.718) 9.481 37.077 ( 3.618 7.817 1.043) 8.677 37.379 ( -6.801 12.905 -3.093) 14.911 37.593 ( -1.150 8.177 1.557) 8.403 37.934 ( 2.419 4.802 -8.012) 9.649 38.134 ( 1.681 7.832 5.623) 9.787 38.421 ( 2.062 14.463 1.511) 14.688 39.099 ( 37.038 16.129 14.063) 42.775 39.297 ( -0.957 1.699 0.595) 2.038 39.351 ( 1.510 5.708 -1.418) 6.072 39.884 ( -11.979 5.307 -26.610) 29.660 40.582 ( 8.513 -4.866 0.004) 9.805 40.767 ( 12.898 6.270 3.556) 14.775 41.327 ( 2.275 -8.900 -0.424) 9.196 41.970 ( -13.709 -4.400 0.624) 14.411 42.037 ( -17.254 -4.747 -4.483) 18.447 ======================= Grid point 95 (43/96) ======================= q-point: ( 0.00 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 1.152 26.354 7.709) 27.483 2.273 ( 0.065 16.592 2.784) 16.824 2.368 ( -0.006 0.103 -5.381) 5.382 2.528 ( -5.150 18.670 -12.292) 22.938 2.883 ( -1.610 8.548 -5.887) 10.503 3.012 ( 1.346 7.812 0.489) 7.942 3.067 ( -6.185 16.350 0.561) 17.489 3.170 ( -1.881 1.531 1.993) 3.139 3.369 ( 0.900 8.103 3.448) 8.852 3.411 ( -3.299 1.081 -0.761) 3.554 3.494 ( 1.151 5.201 -6.131) 8.122 3.571 ( 3.510 7.385 1.687) 8.349 3.612 ( 0.726 9.524 1.295) 9.639 3.847 ( 4.939 9.474 2.304) 10.930 4.056 ( 2.430 10.952 11.722) 16.225 4.254 ( -6.711 -9.449 3.194) 12.022 4.302 ( 2.807 -2.598 2.626) 4.639 4.488 ( 1.378 6.505 1.542) 6.825 4.647 ( -0.879 14.760 -3.576) 15.213 4.838 ( 2.501 15.969 -4.619) 16.811 4.901 ( 0.656 7.607 -1.257) 7.738 5.064 ( -0.070 -2.089 3.655) 4.211 5.125 ( -5.467 9.357 -0.607) 10.855 5.164 ( 8.570 2.130 -1.724) 8.998 5.550 ( 6.258 9.155 12.960) 17.057 5.777 ( -4.026 17.536 -3.177) 18.271 5.965 ( -5.041 12.505 -3.629) 13.962 6.215 ( 3.085 0.167 3.195) 4.445 6.452 ( 2.282 -1.146 -1.558) 2.991 6.660 ( 2.825 27.457 0.025) 27.602 6.766 ( -8.509 4.186 -4.667) 10.569 6.983 ( -4.948 10.644 -3.784) 12.333 7.459 ( 5.941 16.934 5.783) 18.854 7.756 ( 6.095 23.098 1.755) 23.953 8.196 ( -5.655 3.689 -9.004) 11.255 8.310 ( -8.390 6.235 -6.537) 12.329 8.603 ( 2.183 10.962 3.313) 11.658 8.684 ( 2.347 1.309 0.348) 2.710 9.003 ( -0.465 6.152 0.027) 6.170 9.099 ( -3.039 -1.178 -3.817) 5.019 9.192 ( 0.732 2.620 3.868) 4.728 9.383 ( 2.081 -1.838 -0.253) 2.788 9.612 ( 8.069 -0.215 9.051) 12.128 9.711 ( -1.587 6.765 3.383) 7.728 10.110 ( 3.554 9.346 0.559) 10.014 10.258 ( 3.064 11.775 0.077) 12.167 10.380 ( -4.648 -0.344 -3.709) 5.957 10.529 ( -5.354 -5.169 -4.385) 8.638 10.988 ( 0.178 -1.377 -1.758) 2.241 11.093 ( -0.132 -9.411 -0.695) 9.437 11.153 ( 0.360 -1.484 0.752) 1.702 11.302 ( -1.765 0.253 -2.018) 2.693 11.937 ( 1.643 -4.652 -1.507) 5.159 11.973 ( -3.414 -10.077 -1.440) 10.736 12.382 ( 4.278 -17.545 1.932) 18.162 12.697 ( -10.643 -8.595 -7.177) 15.448 12.763 ( 4.026 9.916 5.230) 11.911 12.969 ( 3.778 -7.914 1.098) 8.838 13.808 ( 0.445 -15.705 5.416) 16.618 14.007 ( 1.297 -19.541 0.111) 19.585 15.069 ( -0.437 -2.135 0.327) 2.203 15.279 ( -6.309 -10.248 -5.451) 13.211 15.391 ( 2.982 -12.418 3.969) 13.374 15.585 ( 4.440 -10.845 4.771) 12.653 15.742 ( 0.595 -12.867 -0.274) 12.884 15.896 ( 3.392 -12.574 2.346) 13.233 15.999 ( -2.351 -20.429 -2.031) 20.664 16.236 ( -0.293 -2.786 -2.566) 3.799 16.507 ( 1.995 -20.145 2.717) 20.425 16.817 ( -4.245 -4.735 -3.626) 7.320 16.937 ( 3.573 -7.376 3.490) 8.908 17.226 ( 2.810 -4.218 2.349) 5.586 17.437 ( -3.992 -3.357 -5.587) 7.643 17.800 ( -15.116 2.381 -13.764) 20.582 18.410 ( 18.829 7.634 12.596) 23.906 18.922 ( -11.041 11.221 -9.433) 18.352 19.405 ( 9.341 9.247 13.689) 18.978 19.821 ( -0.671 12.361 -3.307) 12.813 19.908 ( 0.971 5.495 -1.217) 5.711 20.185 ( -7.792 -1.609 -6.617) 10.348 20.490 ( -0.853 1.995 1.095) 2.431 20.605 ( 0.553 1.602 -3.284) 3.696 20.764 ( 5.099 -0.629 4.373) 6.746 20.938 ( -2.005 -0.015 -3.475) 4.012 21.212 ( -0.285 -5.276 0.439) 5.302 21.267 ( -2.422 -7.605 -1.977) 8.222 21.420 ( -2.229 -6.596 2.768) 7.493 21.566 ( -0.433 -12.079 0.691) 12.107 21.703 ( 5.593 -2.402 1.241) 6.212 21.762 ( -0.757 -4.915 1.428) 5.174 22.080 ( 7.014 -4.655 8.984) 12.311 22.305 ( 2.434 -12.687 1.387) 12.993 22.458 ( -3.244 -15.591 -0.791) 15.945 22.606 ( -4.297 5.156 -4.876) 8.296 22.928 ( 0.316 2.686 -0.096) 2.706 23.126 ( -5.552 3.908 -5.880) 8.982 23.583 ( 6.537 2.127 7.107) 9.888 23.988 ( -3.206 0.114 -5.850) 6.672 24.198 ( 0.117 -2.243 3.520) 4.175 24.282 ( -0.194 -0.638 -3.950) 4.006 24.354 ( 3.595 -6.863 -6.851) 10.342 24.410 ( -1.299 -3.522 -0.638) 3.808 24.587 ( 2.625 7.509 2.662) 8.388 24.814 ( -4.531 2.053 7.699) 9.166 24.918 ( -4.291 -0.789 -0.240) 4.369 25.238 ( 2.661 -4.649 4.881) 7.247 25.575 ( 1.002 -1.831 -0.015) 2.088 25.749 ( 1.451 -6.279 -2.596) 6.948 29.342 ( -1.636 6.475 0.405) 6.691 29.498 ( 3.228 8.157 -4.980) 10.087 29.819 ( -2.312 2.341 5.428) 6.347 29.968 ( 0.525 5.584 0.365) 5.621 30.508 ( -1.720 4.832 0.443) 5.148 30.654 ( 0.922 5.106 -2.941) 5.964 30.956 ( -1.502 0.250 0.347) 1.562 30.978 ( 1.841 1.351 -0.225) 2.295 37.168 ( 1.983 8.999 2.270) 9.490 37.256 ( -1.697 6.375 1.305) 6.725 37.549 ( 0.319 12.289 -4.742) 13.176 37.682 ( -2.903 7.718 -7.282) 11.001 38.107 ( 3.267 7.853 5.386) 10.068 38.374 ( 0.106 7.618 7.178) 10.467 38.773 ( 0.478 15.681 2.524) 15.890 39.237 ( -5.482 4.237 -4.364) 8.188 39.297 ( 0.341 2.125 -0.351) 2.181 39.602 ( -10.188 9.163 -9.780) 16.835 39.984 ( 17.886 -4.205 5.711) 19.241 40.431 ( -4.539 -4.324 -12.371) 13.869 41.040 ( 4.085 -9.120 13.314) 16.647 41.418 ( -16.688 -8.796 -0.856) 18.884 41.500 ( 13.964 5.382 4.757) 15.703 41.943 ( 1.829 3.698 -7.011) 8.135 ======================= Grid point 96 (44/96) ======================= q-point: ( 0.17 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 4.667 17.304 4.378) 18.449 2.320 ( 5.173 16.921 -3.391) 18.016 2.384 ( 4.338 16.977 1.292) 17.570 2.417 ( 2.585 7.800 -1.758) 8.403 2.752 ( -5.912 9.323 -4.787) 12.033 2.914 ( -4.329 18.724 -4.865) 19.825 3.040 ( -3.535 0.086 5.365) 6.425 3.164 ( -1.118 0.422 0.322) 1.238 3.289 ( -4.114 4.548 -1.756) 6.379 3.334 ( -3.214 12.228 -0.383) 12.649 3.581 ( 7.029 6.605 -1.852) 9.822 3.631 ( 0.505 9.396 1.027) 9.466 3.641 ( -0.510 5.457 3.063) 6.278 3.946 ( 3.217 6.777 -1.069) 7.578 4.102 ( -5.651 -2.808 2.573) 6.815 4.176 ( -1.377 6.770 10.800) 12.821 4.429 ( 2.433 2.970 0.558) 3.879 4.557 ( 2.406 13.539 0.237) 13.754 4.687 ( 8.710 3.391 1.101) 9.412 4.780 ( -0.049 9.518 -5.861) 11.178 4.934 ( 2.340 11.458 6.195) 13.234 5.045 ( 0.540 1.807 -4.903) 5.253 5.081 ( -4.766 1.380 -0.274) 4.969 5.244 ( -0.716 2.477 -1.632) 3.051 5.604 ( -3.570 16.539 1.555) 16.991 5.761 ( 4.643 12.402 1.634) 13.343 6.034 ( 1.750 12.677 2.787) 13.097 6.158 ( 1.487 6.004 -1.940) 6.483 6.488 ( -11.121 8.977 -6.093) 15.537 6.597 ( 0.686 8.922 1.487) 9.071 6.730 ( -0.289 6.286 -0.344) 6.302 6.837 ( 2.135 15.865 3.017) 16.290 7.715 ( 12.848 14.195 8.348) 20.887 7.749 ( -7.766 12.592 -10.682) 18.248 8.021 ( -12.048 11.675 -7.098) 18.217 8.160 ( 8.020 10.250 6.201) 14.416 8.710 ( 2.349 7.067 0.407) 7.458 8.735 ( 5.349 11.814 -0.585) 12.982 8.927 ( -4.762 -0.955 -2.632) 5.524 9.121 ( 6.309 0.196 -1.418) 6.470 9.188 ( -4.337 -0.264 4.016) 5.917 9.420 ( 2.165 -0.044 1.959) 2.920 9.641 ( -7.569 9.197 -1.942) 12.069 9.834 ( 5.996 6.039 4.437) 9.598 10.160 ( -7.420 2.276 -3.285) 8.427 10.243 ( 5.885 -0.284 5.756) 8.237 10.317 ( -7.809 6.573 -5.982) 11.831 10.416 ( 4.469 4.108 -0.579) 6.098 10.930 ( -7.853 -10.192 -2.973) 13.206 11.043 ( 0.453 -11.466 0.163) 11.476 11.203 ( 1.697 4.121 1.069) 4.583 11.273 ( 1.643 1.567 -1.028) 2.492 11.839 ( -6.768 -7.444 -2.483) 10.363 12.015 ( 5.069 -9.700 1.060) 10.996 12.364 ( -11.047 -16.431 -4.536) 20.312 12.549 ( 1.974 -8.098 3.727) 9.130 12.859 ( 1.691 -1.260 0.802) 2.256 13.023 ( 2.937 2.774 -0.838) 4.126 13.865 ( 0.742 -19.012 4.739) 19.607 14.030 ( 1.050 -16.108 -0.326) 16.145 15.133 ( 5.947 -8.155 4.278) 10.962 15.150 ( -1.895 -6.955 -3.068) 7.835 15.526 ( 1.226 -11.404 2.596) 11.760 15.551 ( 0.350 -9.963 0.420) 9.978 15.846 ( -5.727 -13.549 -5.191) 15.599 15.875 ( 6.563 -15.421 4.764) 17.424 16.043 ( -2.302 -13.302 -1.786) 13.617 16.134 ( 1.069 -13.742 -1.834) 13.905 16.638 ( 0.907 -8.415 1.443) 8.585 16.695 ( 0.142 -9.767 -0.931) 9.812 17.055 ( 2.299 -7.961 3.315) 8.925 17.158 ( -4.144 -11.236 -6.021) 13.405 17.479 ( 8.640 4.798 7.335) 12.308 17.515 ( -6.216 2.895 -6.699) 9.586 18.595 ( -13.739 8.601 -9.372) 18.724 18.831 ( 14.314 9.606 6.946) 18.585 19.612 ( 0.857 12.676 5.382) 13.797 19.743 ( -3.918 11.260 -1.872) 12.068 19.918 ( -5.629 1.499 -5.073) 7.725 20.036 ( 6.849 2.943 1.918) 7.697 20.466 ( -1.812 1.545 0.851) 2.529 20.599 ( 0.508 2.453 -2.324) 3.417 20.769 ( -10.176 0.633 -2.382) 10.470 20.884 ( 2.668 0.287 2.328) 3.553 21.224 ( 0.509 -7.451 1.862) 7.697 21.259 ( 3.236 -6.605 -1.781) 7.568 21.443 ( 3.086 -11.046 1.019) 11.514 21.566 ( -2.112 -9.983 3.223) 10.701 21.734 ( 3.085 -3.605 -3.754) 6.050 21.872 ( 5.276 -1.009 1.985) 5.726 22.272 ( -5.713 -16.794 0.321) 17.742 22.324 ( -0.453 -13.108 1.712) 13.227 22.388 ( 0.581 0.453 0.328) 0.807 22.473 ( 0.702 -1.494 -0.220) 1.666 22.974 ( -0.946 4.071 -2.239) 4.742 23.047 ( 6.228 2.643 1.758) 6.991 23.757 ( 4.522 -0.454 4.292) 6.251 23.864 ( -2.876 0.792 -6.210) 6.889 24.198 ( -3.875 -2.295 0.545) 4.537 24.216 ( -1.445 -5.038 -1.610) 5.482 24.357 ( 1.265 -6.687 -4.741) 8.294 24.396 ( 0.209 -0.776 -1.048) 1.321 24.673 ( 1.497 9.779 3.196) 10.396 24.716 ( -4.184 7.596 -4.326) 9.691 24.851 ( -7.397 -5.239 10.953) 14.217 25.339 ( 3.966 -6.949 3.680) 8.808 25.590 ( 0.683 -2.057 -0.632) 2.258 25.764 ( 2.038 -3.677 -3.075) 5.209 29.262 ( -5.634 7.653 -0.656) 9.526 29.550 ( 5.819 6.608 -2.981) 9.295 29.800 ( -3.601 3.124 4.600) 6.624 30.029 ( 3.838 2.143 0.245) 4.403 30.484 ( -1.089 7.176 0.452) 7.273 30.657 ( 1.793 4.661 -2.497) 5.584 30.932 ( -1.137 0.846 0.175) 1.428 31.026 ( 3.193 1.044 -0.158) 3.363 37.196 ( -3.497 7.683 0.726) 8.473 37.251 ( 2.587 6.378 3.747) 7.837 37.522 ( -1.590 9.903 -6.118) 11.748 37.620 ( 4.628 9.528 -4.928) 11.683 38.183 ( -1.426 9.100 5.822) 10.897 38.388 ( -2.784 9.437 2.686) 10.200 38.794 ( -3.322 15.902 4.351) 16.818 39.041 ( -5.679 11.835 -0.835) 13.153 39.335 ( -1.231 3.205 -3.265) 4.738 39.503 ( 7.545 8.012 -1.120) 11.062 40.019 ( -14.343 -0.741 -9.728) 17.347 40.385 ( 6.462 -8.812 0.328) 10.932 41.018 ( -17.248 -0.268 0.133) 17.251 41.130 ( -5.135 -12.822 7.886) 15.905 41.888 ( 17.655 -4.180 1.166) 18.180 42.023 ( 11.893 1.721 -4.985) 13.009 ======================= Grid point 97 (45/96) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 0.087 13.721 -4.757) 14.522 2.394 ( 3.615 4.441 -1.158) 5.842 2.468 ( 3.643 4.740 6.808) 9.060 2.596 ( 8.421 19.951 1.786) 21.729 2.716 ( 3.865 9.587 2.657) 10.673 2.812 ( -2.324 10.788 -2.036) 11.221 3.023 ( -4.110 5.352 3.907) 7.797 3.168 ( 1.751 7.449 0.990) 7.716 3.232 ( -1.564 9.148 -0.987) 9.333 3.278 ( -2.572 11.826 -0.642) 12.119 3.581 ( -3.495 8.194 -0.347) 8.915 3.600 ( -3.054 14.307 1.382) 14.695 3.676 ( -2.211 -2.309 -0.247) 3.206 3.963 ( 1.909 7.355 -0.537) 7.617 4.136 ( 5.699 1.592 2.923) 6.600 4.194 ( -2.338 4.168 2.602) 5.442 4.353 ( -4.733 5.969 -2.149) 7.915 4.575 ( -5.912 14.830 -5.315) 16.827 4.712 ( 1.612 8.187 -1.028) 8.408 4.789 ( -0.564 11.498 -2.407) 11.760 4.950 ( 0.940 -3.817 -6.342) 7.461 5.005 ( 2.439 1.922 -2.695) 4.112 5.163 ( -0.682 1.746 0.719) 2.008 5.296 ( 17.334 2.872 9.921) 20.178 5.610 ( -4.448 21.347 1.084) 21.833 5.756 ( -5.819 14.844 -1.925) 16.060 6.035 ( 6.370 10.752 2.560) 12.757 6.202 ( -3.244 10.689 0.016) 11.170 6.294 ( -5.378 -4.150 -2.859) 7.370 6.457 ( -5.001 26.056 -1.371) 26.567 6.817 ( 2.771 -4.210 3.304) 6.026 7.012 ( 4.705 13.321 5.637) 15.210 7.499 ( -7.169 17.828 -8.317) 20.938 7.750 ( -1.309 13.654 -4.501) 14.437 8.057 ( 4.836 9.243 6.004) 12.036 8.357 ( 5.320 -0.864 2.368) 5.887 8.712 ( -0.579 15.686 -1.829) 15.803 8.795 ( 4.986 8.871 -2.074) 10.386 8.938 ( 4.328 4.937 4.961) 8.229 9.177 ( -0.698 1.622 1.854) 2.560 9.190 ( -0.209 -6.905 -2.639) 7.395 9.353 ( -5.789 8.510 -4.985) 11.436 9.532 ( -1.272 5.483 2.967) 6.363 9.892 ( -1.353 -3.694 -2.922) 4.901 9.967 ( -7.315 16.256 -3.097) 18.093 10.127 ( -3.048 10.589 -0.158) 11.020 10.457 ( 2.390 -1.949 -2.066) 3.712 10.486 ( 4.822 -5.958 7.292) 10.579 10.841 ( 0.089 -3.946 2.989) 4.951 10.993 ( -5.846 -7.549 -2.858) 9.966 11.198 ( 0.908 2.546 -0.921) 2.856 11.353 ( 3.219 -2.460 1.212) 4.229 11.739 ( -2.883 -2.542 1.307) 4.059 12.101 ( 2.327 -12.661 -0.682) 12.891 12.150 ( -6.157 -14.469 -0.860) 15.748 12.585 ( -2.990 -3.402 3.578) 5.772 12.902 ( 4.522 -9.680 -0.391) 10.691 13.035 ( -0.592 1.012 -2.257) 2.543 13.897 ( -0.530 -21.659 1.952) 21.753 14.031 ( 0.264 -13.502 -2.431) 13.721 15.164 ( 3.189 -0.498 0.390) 3.251 15.322 ( 7.108 -11.111 4.642) 13.983 15.438 ( -1.249 -13.707 -1.348) 13.829 15.584 ( -7.116 -10.126 -5.684) 13.619 15.766 ( 3.745 -13.809 2.180) 14.473 15.884 ( -5.062 -14.169 -3.886) 15.540 16.003 ( 3.178 -21.369 2.396) 21.736 16.194 ( 0.582 -2.945 -0.112) 3.004 16.546 ( -1.638 -14.024 -1.590) 14.209 16.818 ( 3.860 -7.311 3.213) 8.870 16.947 ( -3.869 -7.680 -3.487) 9.280 17.248 ( 5.137 -6.633 3.449) 9.071 17.368 ( -4.338 -1.051 -3.053) 5.408 17.830 ( 17.436 3.987 13.637) 22.492 18.206 ( -18.076 6.619 -12.426) 22.912 19.085 ( 7.278 16.949 3.518) 18.778 19.511 ( -4.904 5.745 -6.378) 9.886 19.690 ( -1.202 7.207 0.877) 7.359 19.828 ( -2.696 9.442 0.232) 9.822 20.258 ( 7.922 0.389 4.560) 9.149 20.448 ( -0.721 1.158 0.122) 1.370 20.565 ( -2.755 0.605 -2.196) 3.575 20.601 ( -5.152 4.669 0.597) 6.978 20.904 ( -0.300 0.621 -1.737) 1.868 21.244 ( -0.323 -4.272 1.607) 4.576 21.319 ( 2.636 -10.165 -0.561) 10.517 21.533 ( 4.178 -15.517 2.201) 16.220 21.588 ( 4.538 -9.419 3.236) 10.945 21.752 ( 1.262 -5.302 -4.116) 6.830 21.932 ( -0.712 -2.192 -1.920) 3.000 22.052 ( -8.077 -5.936 -1.033) 10.077 22.227 ( -3.062 2.255 -3.370) 5.082 22.410 ( -0.478 -11.886 1.695) 12.016 22.643 ( 5.101 -5.663 3.983) 8.600 22.948 ( 0.545 6.203 0.017) 6.227 23.237 ( 8.305 -1.164 2.643) 8.792 23.672 ( -4.646 0.841 -5.748) 7.438 23.924 ( 3.504 -2.669 2.959) 5.306 24.107 ( -2.621 -6.483 -1.904) 7.247 24.214 ( -1.407 0.036 2.870) 3.196 24.317 ( -0.627 -6.845 -4.371) 8.145 24.407 ( 1.609 0.430 0.766) 1.834 24.579 ( -3.128 1.395 -2.841) 4.450 24.736 ( -1.317 9.929 3.288) 10.542 24.823 ( -4.389 3.759 6.152) 8.440 25.386 ( -0.759 -6.928 -0.728) 7.007 25.624 ( 4.134 -8.684 -0.863) 9.657 25.759 ( -0.100 -0.832 -2.035) 2.201 29.181 ( -2.888 7.451 0.844) 8.035 29.599 ( 2.305 5.378 -6.457) 8.714 29.799 ( -0.558 3.213 6.315) 7.107 30.074 ( 1.094 -0.851 -0.293) 1.417 30.482 ( -0.182 9.230 1.867) 9.419 30.676 ( 1.933 3.999 -1.406) 4.659 30.920 ( -0.392 1.529 0.460) 1.644 31.076 ( 2.414 0.934 -0.944) 2.755 37.137 ( -2.423 7.382 -0.085) 7.770 37.309 ( -0.671 4.828 -0.793) 4.939 37.479 ( 2.667 11.012 1.657) 11.451 37.709 ( 6.816 9.473 -1.687) 11.791 38.141 ( -4.795 11.419 0.879) 12.416 38.321 ( -6.924 7.940 1.305) 10.616 38.718 ( -2.768 18.767 -1.616) 19.039 39.070 ( -0.905 15.640 7.221) 17.250 39.332 ( 4.552 6.254 1.288) 7.842 39.544 ( -8.732 4.909 -9.680) 13.930 39.765 ( 4.256 2.935 -1.140) 5.294 40.432 ( -1.517 -4.590 -0.884) 4.915 40.745 ( -13.235 -0.136 3.734) 13.752 41.122 ( 0.898 -18.942 -1.904) 19.058 42.112 ( 8.612 0.120 -0.975) 8.668 42.209 ( 8.454 -6.797 -1.555) 10.958 ======================= Grid point 98 (46/96) ======================= q-point: (-0.50 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 2.422 12.143 -1.585) 12.484 2.438 ( 2.050 -0.565 5.204) 5.622 2.549 ( -2.832 5.436 -7.746) 9.877 2.614 ( -0.688 11.287 4.955) 12.346 2.836 ( -2.420 11.248 5.405) 12.711 2.868 ( 2.361 8.143 3.392) 9.132 2.951 ( 0.747 17.619 4.363) 18.167 3.142 ( -1.175 15.831 -6.046) 16.986 3.243 ( 0.204 6.117 1.489) 6.299 3.294 ( 5.262 8.645 1.974) 10.311 3.484 ( -7.886 13.408 1.337) 15.612 3.525 ( -3.065 3.454 -1.453) 4.841 3.648 ( 2.826 -0.192 -1.990) 3.462 3.979 ( -2.194 8.362 0.307) 8.650 4.122 ( -3.896 -0.693 -6.592) 7.689 4.230 ( 0.817 7.175 2.398) 7.609 4.324 ( -3.293 5.538 -1.571) 6.632 4.443 ( 4.480 10.272 -1.772) 11.346 4.707 ( 2.124 11.805 -6.016) 13.419 4.768 ( 1.191 12.456 -2.267) 12.716 4.985 ( 2.722 -6.217 -0.767) 6.830 5.092 ( 1.670 5.471 4.605) 7.343 5.135 ( 3.321 -3.595 -4.481) 6.636 5.383 ( -14.650 14.828 -2.421) 20.985 5.631 ( -4.772 19.896 2.559) 20.619 5.720 ( 13.551 7.229 8.336) 17.475 6.100 ( -4.822 14.503 -2.710) 15.522 6.133 ( 0.772 8.388 0.417) 8.434 6.354 ( 5.103 0.332 7.732) 9.270 6.467 ( 7.035 21.856 6.149) 23.770 6.770 ( -6.057 -0.087 -5.201) 7.984 6.963 ( -8.232 13.505 -6.093) 16.949 7.510 ( 10.234 11.251 3.539) 15.616 7.805 ( 5.392 12.302 1.755) 13.546 7.987 ( -8.541 8.175 -5.760) 13.151 8.346 ( -8.329 5.846 -6.759) 12.216 8.739 ( 1.814 9.731 2.372) 10.179 8.809 ( -0.400 6.480 -4.007) 7.629 8.902 ( 3.424 3.639 -0.070) 4.997 9.148 ( -7.613 0.753 -1.887) 7.879 9.307 ( -1.606 9.989 0.478) 10.128 9.372 ( 10.518 -0.262 8.161) 13.315 9.464 ( -2.067 6.239 -1.508) 6.743 9.783 ( 2.093 4.962 -4.781) 7.202 10.026 ( 2.379 5.821 3.857) 7.377 10.166 ( 4.800 11.677 6.946) 14.409 10.372 ( -5.549 -5.349 -5.205) 9.300 10.571 ( -0.672 -0.884 2.046) 2.328 10.824 ( -2.547 -4.975 0.400) 5.603 10.966 ( 3.058 -4.868 0.720) 5.794 11.231 ( 1.781 1.018 1.475) 2.527 11.361 ( -2.097 -2.240 -1.618) 3.469 11.741 ( 1.184 -3.362 4.122) 5.450 12.098 ( -2.548 -10.256 -3.898) 11.264 12.160 ( 6.386 -15.094 7.051) 17.841 12.535 ( -3.923 -4.983 -0.515) 6.363 12.940 ( -0.840 -8.916 -0.784) 8.990 13.030 ( 2.210 -1.142 -0.684) 2.580 13.875 ( -2.465 -21.617 -0.522) 21.763 14.005 ( 0.106 -13.767 -3.965) 14.327 15.179 ( -1.032 -1.431 -1.326) 2.207 15.299 ( -7.962 -11.732 -6.139) 15.451 15.422 ( 3.346 -11.248 0.928) 11.772 15.570 ( 1.787 -8.623 -0.803) 8.843 15.794 ( 0.256 -14.153 1.276) 14.213 15.914 ( 7.149 -16.247 5.955) 18.723 15.980 ( -3.171 -16.509 -2.660) 17.020 16.237 ( -0.824 -7.647 0.948) 7.749 16.548 ( 3.518 -11.256 1.999) 11.961 16.809 ( -4.464 -8.093 -2.736) 9.640 16.976 ( 5.897 -7.343 4.400) 10.395 17.250 ( -6.649 -5.256 -3.505) 9.172 17.370 ( 6.406 -2.337 3.526) 7.676 17.774 ( -16.732 3.035 -11.362) 20.452 18.291 ( 18.087 6.756 15.670) 24.866 19.060 ( -7.739 16.969 -7.120) 19.963 19.531 ( 7.632 6.234 2.112) 10.079 19.737 ( 4.507 3.613 5.278) 7.824 19.751 ( -5.036 11.162 -3.195) 12.656 20.233 ( -7.577 0.267 -7.026) 10.337 20.472 ( 0.230 3.275 0.680) 3.353 20.501 ( 0.730 2.224 0.079) 2.343 20.619 ( 2.464 1.181 3.880) 4.745 20.867 ( -0.736 0.575 -4.415) 4.513 21.237 ( -1.384 -4.467 0.646) 4.721 21.325 ( 0.280 -11.792 -1.246) 11.861 21.596 ( -0.577 -13.965 3.144) 14.326 21.657 ( -7.186 -8.505 -0.461) 11.144 21.764 ( 7.555 -7.426 1.086) 10.649 21.888 ( 2.475 -5.071 -3.199) 6.487 22.053 ( 2.620 -3.462 6.012) 7.416 22.237 ( 4.275 3.868 1.462) 5.947 22.395 ( -1.021 -10.919 0.280) 10.970 22.615 ( -7.282 -5.061 -5.129) 10.244 22.978 ( 1.738 7.193 2.600) 7.843 23.246 ( -6.110 0.238 -5.539) 8.251 23.695 ( 8.528 -0.078 3.572) 9.246 23.933 ( -4.811 -3.312 -1.798) 6.111 24.074 ( 0.251 -3.478 -0.510) 3.524 24.245 ( 3.305 -1.869 0.140) 3.799 24.286 ( 0.288 -2.037 2.032) 2.892 24.469 ( 2.329 0.220 3.315) 4.057 24.556 ( 0.590 -1.447 -2.409) 2.872 24.716 ( -2.088 5.754 4.177) 7.410 24.772 ( -3.679 6.626 0.993) 7.644 25.321 ( -2.860 -7.626 -6.289) 10.290 25.670 ( -0.157 -9.515 -0.031) 9.516 25.760 ( 2.276 -1.815 -0.476) 2.950 29.175 ( 0.646 7.285 2.715) 7.802 29.537 ( -0.783 5.878 -9.060) 10.827 29.857 ( -0.556 2.577 6.970) 7.452 30.074 ( -0.039 -1.232 -1.107) 1.657 30.505 ( 0.148 8.771 3.331) 9.384 30.694 ( 0.979 3.892 -1.007) 4.137 30.926 ( 0.091 1.658 1.420) 2.185 31.086 ( -0.091 0.869 -2.061) 2.239 37.119 ( 0.232 8.023 0.539) 8.044 37.240 ( -2.288 8.085 -4.527) 9.544 37.611 ( 3.816 7.869 9.291) 12.759 37.834 ( 6.701 8.280 2.832) 11.022 38.060 ( -4.115 13.912 -1.978) 14.642 38.175 ( -5.784 4.495 -5.085) 8.917 38.714 ( 3.595 19.425 -0.104) 19.755 38.968 ( -9.427 20.335 -4.583) 22.877 39.347 ( 0.892 3.769 0.804) 3.956 39.593 ( 9.108 7.345 3.532) 12.222 39.836 ( 2.480 1.597 2.727) 4.017 40.361 ( -2.171 -1.366 -7.013) 7.467 40.643 ( -2.226 -1.212 7.266) 7.695 41.109 ( 0.433 -19.855 -5.506) 20.609 42.193 ( 0.601 1.289 -0.602) 1.544 42.264 ( -0.344 -9.044 -1.993) 9.267 ======================= Grid point 99 (47/96) ======================= q-point: (-0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -2.915 9.446 0.797) 9.918 2.385 ( -7.655 13.279 -5.431) 16.261 2.502 ( -6.815 11.077 -1.645) 13.109 2.604 ( 7.365 4.782 4.085) 9.685 2.757 ( -3.810 12.049 8.557) 15.261 2.971 ( 2.879 10.269 3.895) 11.354 3.099 ( 4.550 15.001 9.074) 18.113 3.109 ( 1.740 8.988 -2.319) 9.444 3.253 ( 0.608 1.105 0.102) 1.266 3.340 ( -0.287 20.317 -6.913) 21.462 3.466 ( 4.459 6.897 4.873) 9.550 3.540 ( 2.359 1.218 2.417) 3.591 3.644 ( -1.080 -1.057 -4.530) 4.775 3.885 ( -4.267 3.862 -6.746) 8.867 4.051 ( -0.124 8.513 1.607) 8.664 4.123 ( -6.190 7.039 0.563) 9.390 4.414 ( 11.069 13.741 -0.222) 17.646 4.510 ( -1.833 0.232 -3.139) 3.642 4.666 ( -0.127 9.974 -4.768) 11.056 4.780 ( -0.367 6.845 -3.889) 7.881 4.874 ( -11.663 0.683 -2.701) 11.991 5.009 ( -2.617 2.938 -4.080) 5.668 5.230 ( -0.380 3.678 3.023) 4.776 5.299 ( 5.779 13.312 4.305) 15.137 5.620 ( -2.085 10.702 5.684) 12.296 5.836 ( -4.259 14.290 -0.969) 14.943 6.026 ( -5.929 6.631 -1.468) 9.016 6.152 ( 4.875 7.029 1.001) 8.612 6.501 ( 6.217 15.929 5.985) 18.116 6.590 ( -1.053 13.576 -0.492) 13.626 6.730 ( -8.436 8.909 -6.550) 13.909 6.806 ( 12.659 7.057 6.812) 16.014 7.615 ( -12.532 8.053 -12.380) 19.369 7.825 ( 15.946 6.225 7.765) 18.797 8.038 ( -7.433 17.655 -6.941) 20.375 8.102 ( 8.634 7.833 6.874) 13.533 8.741 ( -1.626 4.028 0.658) 4.393 8.852 ( -12.146 5.926 -5.104) 14.446 8.945 ( 2.744 7.882 0.787) 8.383 9.023 ( 8.736 -1.011 2.381) 9.111 9.250 ( -4.409 5.041 1.348) 6.831 9.383 ( -0.273 1.075 -0.146) 1.118 9.602 ( 0.633 8.433 0.429) 8.467 9.728 ( -4.698 8.401 -8.011) 12.522 10.137 ( 7.767 0.367 4.493) 8.981 10.172 ( -1.747 0.688 -3.632) 4.088 10.417 ( 3.288 5.178 7.113) 9.393 10.507 ( -3.856 4.906 -0.936) 6.310 10.898 ( 6.301 -6.727 3.745) 9.949 10.992 ( 2.525 -9.244 -2.223) 9.838 11.235 ( -4.078 1.316 -0.602) 4.327 11.313 ( 0.559 1.103 0.832) 1.491 11.863 ( 5.814 -6.876 6.895) 11.341 12.000 ( -2.874 -8.277 -5.291) 10.235 12.368 ( 2.150 -16.738 2.840) 17.113 12.466 ( 4.841 -4.636 1.178) 6.806 12.905 ( -3.791 -5.265 0.103) 6.488 13.032 ( -0.835 -2.012 -2.350) 3.204 13.813 ( -3.151 -18.551 -0.608) 18.826 13.983 ( 0.863 -17.045 -2.928) 17.316 15.136 ( -4.687 -7.124 -2.064) 8.774 15.193 ( 3.103 -7.688 2.764) 8.739 15.458 ( -4.798 -9.678 -4.368) 11.652 15.530 ( 3.104 -8.366 0.324) 8.929 15.863 ( -5.406 -14.551 -3.393) 15.889 15.891 ( 4.856 -14.404 4.338) 15.807 16.064 ( -6.657 -14.160 -3.518) 16.037 16.180 ( 6.797 -12.702 4.513) 15.097 16.633 ( -7.701 -10.522 -4.324) 13.737 16.720 ( 5.823 -6.732 4.167) 9.828 17.040 ( -7.017 -6.739 -3.313) 10.278 17.215 ( 9.253 -9.276 5.346) 14.151 17.447 ( -9.793 2.262 -6.165) 11.791 17.573 ( 10.628 1.128 7.504) 13.059 18.673 ( 3.604 9.380 5.422) 11.418 18.802 ( -3.940 9.374 -5.474) 11.548 19.527 ( -10.341 10.370 -6.378) 15.974 19.718 ( 5.388 12.347 1.627) 13.569 19.958 ( 9.793 -0.015 7.909) 12.588 20.035 ( -3.599 2.988 -5.140) 6.950 20.446 ( -0.697 1.448 0.168) 1.616 20.607 ( 6.838 4.984 -0.208) 8.464 20.685 ( 2.286 -1.812 3.119) 4.271 20.808 ( -1.235 0.154 -4.986) 5.138 21.217 ( -1.300 -6.430 1.152) 6.660 21.329 ( 0.842 -9.808 -0.692) 9.868 21.540 ( -4.538 -6.723 2.159) 8.393 21.580 ( -5.249 -11.439 3.222) 12.991 21.818 ( 0.170 -1.647 -2.041) 2.628 21.864 ( -2.656 -8.675 -3.022) 9.562 22.174 ( -2.080 -8.167 -2.406) 8.765 22.274 ( 1.682 -10.144 -0.485) 10.294 22.399 ( -4.712 -6.248 -1.620) 7.992 22.504 ( 7.790 2.051 5.436) 9.718 23.042 ( -3.513 2.993 -0.120) 4.616 23.090 ( 0.679 7.025 1.686) 7.256 23.734 ( -9.822 -0.526 -6.236) 11.646 23.924 ( 9.188 -1.307 4.533) 10.328 24.085 ( 0.659 -1.219 -0.261) 1.410 24.266 ( 3.270 -3.540 -4.647) 6.695 24.401 ( 2.063 -0.507 6.549) 6.885 24.485 ( -2.149 1.973 -5.042) 5.825 24.549 ( 3.378 1.355 6.402) 7.364 24.649 ( -3.832 6.273 -4.094) 8.414 24.868 ( 5.232 -4.562 11.671) 13.579 25.192 ( -3.243 -5.932 -9.524) 11.680 25.639 ( -2.788 -4.000 0.373) 4.890 25.793 ( 1.146 -7.352 -1.569) 7.605 29.245 ( 3.602 7.464 4.043) 9.221 29.459 ( 0.701 7.335 -8.336) 11.126 29.863 ( -4.039 1.658 4.989) 6.629 30.063 ( -0.716 1.214 -0.697) 1.572 30.530 ( -0.647 6.524 3.339) 7.357 30.691 ( -0.020 4.326 -1.790) 4.682 30.940 ( -0.204 1.213 1.870) 2.238 31.046 ( -1.869 0.933 -2.368) 3.158 37.134 ( 0.269 9.310 -0.550) 9.330 37.198 ( 1.215 8.696 -0.929) 8.829 37.712 ( -0.524 8.960 7.035) 11.404 37.842 ( -8.539 10.368 0.212) 13.434 38.069 ( 1.036 4.672 -3.966) 6.216 38.100 ( 8.314 6.451 -1.429) 10.620 38.766 ( -2.732 19.074 -1.781) 19.350 38.924 ( 13.180 15.832 3.496) 20.895 39.399 ( 0.145 4.054 2.700) 4.872 39.554 ( -5.309 8.768 -5.386) 11.579 40.080 ( 8.591 0.860 6.039) 10.537 40.262 ( 4.303 -2.073 -6.431) 8.011 40.735 ( 4.502 0.394 2.184) 5.019 41.059 ( -0.156 -16.610 -2.837) 16.851 42.110 ( -9.364 -3.050 -0.896) 9.889 42.185 ( -5.967 -3.636 -2.193) 7.324 ======================= Grid point 100 (48/96) ======================= q-point: (-0.17 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -8.693 22.428 1.923) 24.130 2.278 ( -3.089 14.998 2.444) 15.507 2.418 ( -0.612 -0.745 -4.572) 4.673 2.689 ( -0.935 14.671 -6.422) 16.042 2.835 ( 4.190 10.984 8.556) 14.540 2.996 ( -0.461 7.463 -1.866) 7.707 3.150 ( 0.252 1.138 -0.147) 1.175 3.192 ( -2.206 21.037 3.532) 21.446 3.266 ( 3.975 9.435 1.435) 10.338 3.359 ( 5.345 8.206 0.584) 9.811 3.541 ( -1.099 6.369 -2.498) 6.929 3.574 ( 2.918 1.499 1.209) 3.496 3.586 ( -2.207 2.193 -0.070) 3.112 3.800 ( -0.288 8.602 -1.406) 8.721 4.045 ( -6.658 14.859 4.537) 16.902 4.151 ( 6.247 -2.078 2.868) 7.181 4.333 ( -4.665 -2.556 -3.335) 6.278 4.553 ( -1.906 13.807 1.775) 14.051 4.664 ( -1.148 5.728 0.213) 5.846 4.742 ( 8.717 5.504 -2.686) 10.653 4.865 ( 6.281 6.204 2.293) 9.121 4.961 ( 0.344 6.776 -4.713) 8.261 5.161 ( -4.262 1.381 -0.451) 4.502 5.349 ( -8.437 18.751 -3.840) 20.917 5.484 ( -9.222 1.203 2.894) 9.740 5.798 ( 1.281 16.675 1.585) 16.799 6.005 ( 3.712 10.309 4.195) 11.733 6.178 ( -3.471 -1.424 -2.976) 4.789 6.486 ( -2.422 4.443 -3.039) 5.903 6.628 ( 4.077 25.923 -1.329) 26.275 6.782 ( 5.100 5.297 4.965) 8.872 7.010 ( 3.750 10.381 2.300) 11.274 7.383 ( -2.084 13.871 -2.985) 14.341 7.799 ( -8.161 22.460 -5.178) 24.452 8.167 ( 13.094 6.138 2.527) 14.680 8.360 ( 4.753 0.454 3.950) 6.197 8.629 ( -4.660 0.792 -1.201) 4.877 8.696 ( -3.921 9.392 -2.395) 10.455 8.949 ( 3.253 10.177 1.673) 10.815 9.169 ( -2.860 1.567 0.913) 3.386 9.225 ( -1.663 0.307 1.692) 2.392 9.381 ( -0.272 -2.485 -1.260) 2.799 9.485 ( -1.322 1.859 -3.013) 3.779 9.653 ( 2.042 9.030 1.339) 9.354 10.123 ( -1.450 8.502 -2.112) 8.880 10.270 ( -2.515 11.655 -3.173) 12.338 10.385 ( 3.488 -3.296 2.113) 5.244 10.573 ( 1.569 -3.776 2.630) 4.862 10.993 ( 3.455 0.652 0.840) 3.615 11.043 ( 2.024 -5.786 -2.214) 6.518 11.173 ( -1.786 -4.247 -0.195) 4.611 11.329 ( -0.231 -0.756 0.724) 1.072 11.938 ( 0.094 -2.688 -3.361) 4.304 11.991 ( 1.715 -9.733 3.574) 10.510 12.323 ( 1.509 -16.854 -3.320) 17.244 12.673 ( 5.920 1.493 3.506) 7.040 12.830 ( -2.588 1.089 3.274) 4.313 12.956 ( -4.042 -13.993 -4.756) 15.322 13.778 ( -1.250 -15.244 2.731) 15.537 13.987 ( 1.191 -20.079 -0.987) 20.138 15.090 ( -1.362 -0.715 1.028) 1.850 15.306 ( 1.893 -11.867 1.993) 12.181 15.376 ( 2.700 -11.166 2.470) 11.750 15.526 ( -4.112 -9.929 -4.131) 11.514 15.771 ( -1.758 -12.809 0.098) 12.930 15.887 ( -3.587 -13.204 -2.896) 13.986 16.006 ( 2.564 -19.731 1.559) 19.958 16.271 ( -2.266 -1.738 -1.575) 3.261 16.494 ( -1.072 -20.487 -0.222) 20.516 16.841 ( 3.310 -5.467 2.758) 6.961 16.919 ( -3.422 -6.156 -2.131) 7.359 17.227 ( -4.194 -3.767 -1.539) 5.843 17.454 ( 5.143 -3.875 0.650) 6.472 17.908 ( 15.802 0.253 12.300) 20.026 18.309 ( -17.407 8.201 -16.285) 25.208 19.049 ( 8.655 14.603 8.675) 19.064 19.262 ( -9.317 5.580 -4.924) 11.925 19.815 ( 3.329 12.988 -0.397) 13.414 19.922 ( -0.921 5.252 -2.792) 6.019 20.227 ( 5.741 -3.076 4.943) 8.176 20.457 ( 1.901 1.727 0.433) 2.604 20.654 ( -0.248 3.050 -3.177) 4.411 20.698 ( -1.234 -0.825 -0.752) 1.664 20.868 ( 9.104 0.004 0.104) 9.105 21.214 ( -0.680 -6.648 2.112) 7.009 21.321 ( -1.719 -6.891 -0.622) 7.130 21.483 ( -6.286 -8.012 2.643) 10.521 21.539 ( 1.647 -6.052 2.391) 6.713 21.706 ( -6.069 -11.716 -4.779) 14.033 21.825 ( -3.405 -3.987 0.803) 5.304 22.004 ( -4.017 -0.322 -2.014) 4.505 22.277 ( 0.685 -10.169 -1.510) 10.304 22.447 ( 3.057 -16.008 2.300) 16.459 22.646 ( 1.923 4.471 1.783) 5.184 22.954 ( -2.248 3.812 -0.247) 4.433 23.198 ( 2.161 4.161 3.090) 5.615 23.524 ( -5.305 2.329 -3.434) 6.735 24.048 ( 0.444 -1.325 -0.641) 1.538 24.129 ( 4.151 -1.235 2.744) 5.127 24.287 ( 2.703 -2.154 -4.083) 5.350 24.370 ( 0.348 -0.316 -7.223) 7.238 24.452 ( -2.500 -3.959 0.694) 4.734 24.569 ( -1.167 5.913 -2.032) 6.360 24.721 ( 3.695 -1.715 13.471) 14.074 24.990 ( -1.031 2.104 -0.675) 2.438 25.139 ( 3.595 -5.451 2.758) 7.088 25.587 ( -2.035 -2.894 -0.998) 3.676 25.771 ( -1.019 -8.235 -2.625) 8.703 29.329 ( 1.829 6.341 1.590) 6.788 29.458 ( 5.151 8.862 -4.546) 11.213 29.822 ( -3.367 1.942 3.709) 5.372 30.017 ( -4.078 4.224 0.135) 5.873 30.531 ( -1.635 4.616 1.879) 5.245 30.670 ( -0.020 4.833 -2.691) 5.532 30.949 ( 0.197 1.018 1.031) 1.462 30.996 ( -1.787 0.834 -1.210) 2.313 37.133 ( 0.895 9.524 -0.274) 9.570 37.241 ( 1.716 7.753 1.595) 8.100 37.639 ( -5.870 11.985 -3.639) 13.833 37.768 ( -2.183 8.740 -0.303) 9.013 38.036 ( 2.311 5.727 -3.380) 7.040 38.272 ( 4.160 5.208 8.211) 10.576 38.743 ( 1.465 16.804 -0.656) 16.881 39.256 ( 7.642 3.577 4.588) 9.604 39.333 ( -2.580 2.066 0.398) 3.329 39.561 ( 11.400 11.788 1.069) 16.433 39.940 ( -8.957 0.298 -13.962) 16.591 40.516 ( 8.098 -1.111 -1.821) 8.374 40.795 ( 7.494 -4.838 2.648) 9.305 41.159 ( 10.257 -6.965 5.127) 13.416 41.840 ( -19.542 -4.080 -0.593) 19.972 42.042 ( -6.298 1.735 -3.753) 7.534 ======================= Grid point 101 (49/96) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 2.143 4.349 4.631) 6.704 2.359 ( 1.469 1.415 1.838) 2.746 2.709 ( -2.653 13.983 0.403) 14.238 2.740 ( -0.339 11.665 -2.759) 11.991 2.964 ( -1.504 -2.320 1.170) 3.002 3.045 ( -2.140 4.209 -9.007) 10.170 3.188 ( -5.973 -0.568 2.365) 6.449 3.337 ( -2.028 7.472 -2.719) 8.206 3.451 ( 0.607 3.706 -2.057) 4.282 3.511 ( 3.048 8.656 2.156) 9.427 3.630 ( 3.405 4.489 -5.546) 7.906 3.702 ( 2.444 8.315 1.759) 8.844 3.926 ( 0.641 9.847 5.296) 11.199 3.993 ( 0.952 4.059 -0.664) 4.222 4.055 ( -4.563 -5.082 5.000) 8.464 4.100 ( -0.759 -4.090 7.364) 8.457 4.321 ( 6.022 6.065 -0.113) 8.547 4.699 ( -2.890 7.452 -3.429) 8.697 4.843 ( -0.142 -6.159 -11.000) 12.607 4.982 ( 3.008 13.096 -6.307) 14.843 5.083 ( 3.322 5.081 8.949) 10.814 5.191 ( -2.707 4.998 4.742) 7.403 5.225 ( 2.219 14.416 2.686) 14.831 5.308 ( -1.299 11.509 -3.553) 12.115 5.587 ( 4.558 -2.938 11.658) 12.857 5.955 ( -7.280 6.097 -3.173) 10.012 6.124 ( -3.520 -6.270 -3.168) 7.858 6.259 ( -3.636 5.876 -0.920) 6.971 6.553 ( 15.272 10.676 9.621) 20.971 6.838 ( -4.855 5.192 -4.141) 8.226 6.974 ( 0.299 3.295 -1.052) 3.472 7.304 ( -7.753 17.536 -6.449) 20.229 7.783 ( -0.248 12.092 1.592) 12.199 8.061 ( 8.067 4.034 4.345) 10.012 8.222 ( -6.583 -0.194 -9.112) 11.243 8.364 ( -2.268 2.063 -2.021) 3.672 8.650 ( 11.675 -2.831 9.021) 15.023 8.995 ( -2.964 -2.041 -2.425) 4.340 9.047 ( -1.593 22.649 1.294) 22.742 9.260 ( -0.591 6.119 1.896) 6.433 9.317 ( -0.780 10.385 -2.582) 10.729 9.470 ( -3.115 10.542 -4.723) 11.964 9.783 ( 8.286 24.468 7.768) 26.976 9.962 ( 5.809 15.657 5.783) 17.673 10.303 ( -3.220 10.464 -2.852) 11.314 10.355 ( -8.052 0.757 -5.775) 9.937 10.497 ( 1.531 10.489 0.691) 10.623 10.572 ( 0.298 9.111 -0.465) 9.127 10.808 ( -2.560 -11.309 -3.103) 12.003 10.904 ( -1.425 -8.583 -4.036) 9.591 11.286 ( 0.543 4.222 1.194) 4.421 11.299 ( 2.250 -0.475 2.241) 3.211 11.739 ( -1.081 -10.757 -0.422) 10.819 11.860 ( -4.462 -5.367 -6.739) 9.702 12.050 ( 3.927 -10.053 3.406) 11.317 12.388 ( -7.524 -19.376 -7.834) 22.213 12.794 ( 4.784 -8.546 6.367) 11.682 12.890 ( 2.163 -0.451 2.124) 3.065 13.468 ( -0.136 -17.804 4.245) 18.303 13.593 ( 2.426 -19.782 1.209) 19.967 14.920 ( -2.001 -16.400 -1.542) 16.594 15.041 ( -5.417 -6.252 -4.447) 9.392 15.155 ( 4.849 -11.016 4.433) 12.826 15.284 ( 3.713 -15.771 4.521) 16.821 15.553 ( 0.985 -6.516 -0.141) 6.591 15.610 ( 1.008 -13.773 0.607) 13.823 15.789 ( -0.719 -2.487 -1.253) 2.876 16.069 ( -4.873 -13.525 -4.323) 15.012 16.303 ( 4.424 1.611 3.147) 5.663 16.686 ( -3.654 -7.681 -3.585) 9.231 16.899 ( 2.773 2.238 2.269) 4.224 17.134 ( 0.333 -3.824 -0.743) 3.910 17.451 ( -0.261 3.686 -0.598) 3.743 17.827 ( -12.009 -0.760 -10.169) 15.754 18.567 ( 15.608 7.188 10.195) 19.980 19.028 ( -10.864 -2.367 -7.747) 13.551 19.552 ( 10.832 7.191 11.462) 17.332 19.935 ( -1.505 -3.987 -3.092) 5.265 20.008 ( -2.742 4.277 -1.957) 5.444 20.091 ( -2.643 -1.982 -1.020) 3.458 20.523 ( -0.917 1.785 0.335) 2.035 20.604 ( 0.849 -1.268 -2.528) 2.953 20.764 ( 4.872 -0.841 4.995) 7.028 20.939 ( 1.920 -7.427 0.170) 7.673 21.038 ( -8.019 -3.203 -2.697) 9.046 21.142 ( -3.177 -2.072 -5.746) 6.885 21.370 ( 7.233 -1.882 4.650) 8.803 21.428 ( -1.427 -0.585 0.120) 1.547 21.641 ( 2.539 -2.743 4.508) 5.856 21.707 ( -0.050 -0.399 1.402) 1.458 21.987 ( 1.588 -4.447 1.983) 5.122 22.093 ( -2.786 -8.015 -2.779) 8.929 22.256 ( 2.498 -4.277 4.966) 7.014 22.678 ( -2.255 -0.537 -4.457) 5.023 23.042 ( -1.862 6.908 -2.429) 7.556 23.264 ( -4.157 9.836 -6.802) 12.660 23.620 ( 4.915 1.924 5.442) 7.581 23.967 ( -2.279 -3.177 -6.299) 7.413 24.086 ( -0.306 -7.974 -1.906) 8.205 24.194 ( 3.683 -7.658 -4.245) 9.499 24.273 ( -3.385 -0.450 1.468) 3.716 24.364 ( -0.013 -0.408 -0.500) 0.645 24.645 ( 0.569 -6.151 10.454) 12.143 24.727 ( 1.876 0.119 5.549) 5.859 25.014 ( -4.616 5.761 -4.480) 8.635 25.163 ( 1.324 -2.855 -0.321) 3.163 25.550 ( 1.545 -0.842 1.587) 2.370 25.642 ( 1.359 -4.381 0.675) 4.636 29.491 ( -1.195 7.867 0.728) 7.991 29.650 ( 2.520 6.545 -4.608) 8.392 29.850 ( -1.953 0.794 4.627) 5.085 30.027 ( 0.136 -0.096 -1.011) 1.025 30.632 ( -0.304 7.359 1.147) 7.454 30.771 ( 0.447 5.937 -2.228) 6.357 30.965 ( -1.346 0.206 0.370) 1.411 30.983 ( 1.430 -0.986 0.041) 1.737 37.320 ( 1.636 5.777 0.363) 6.015 37.366 ( -1.835 4.108 0.495) 4.526 37.763 ( -0.377 8.643 -5.195) 10.091 37.830 ( -2.393 6.280 -7.523) 10.088 38.272 ( 2.787 8.026 9.473) 12.725 38.476 ( 0.969 2.500 11.006) 11.328 39.089 ( -0.310 14.859 -1.640) 14.952 39.318 ( -3.251 3.855 -1.630) 5.300 39.353 ( 1.654 3.614 0.865) 4.067 39.715 ( -4.769 1.341 -9.080) 10.343 39.914 ( 9.781 -1.843 3.834) 10.667 40.336 ( -5.838 -6.217 -12.996) 15.545 40.885 ( 1.681 -4.635 12.154) 13.116 41.183 ( -0.135 -10.982 -0.111) 10.983 41.695 ( -0.474 10.100 2.892) 10.517 41.995 ( 1.481 1.086 -4.419) 4.785 ======================= Grid point 102 (50/96) ======================= q-point: ( 0.17 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 1.627 5.033 6.197) 8.147 2.423 ( 2.101 5.012 4.716) 7.196 2.545 ( -3.727 5.024 -9.347) 11.247 2.803 ( -3.445 -1.389 -3.145) 4.867 2.906 ( 6.348 21.841 -0.371) 22.748 3.026 ( -0.175 -1.783 1.687) 2.461 3.092 ( -5.745 2.648 0.722) 6.367 3.258 ( -2.915 9.983 -1.650) 10.530 3.454 ( 0.825 6.006 -0.638) 6.096 3.544 ( -2.578 11.227 2.405) 11.767 3.641 ( 1.688 1.765 -3.563) 4.320 3.750 ( 2.312 4.421 -0.744) 5.044 3.895 ( -3.417 -4.235 0.296) 5.450 3.909 ( -3.730 9.568 0.215) 10.272 4.132 ( 5.399 -0.431 4.840) 7.264 4.251 ( 3.085 1.300 6.439) 7.257 4.483 ( 7.694 3.862 -1.131) 8.683 4.700 ( 5.558 5.161 3.743) 8.458 4.757 ( 3.796 1.371 -7.796) 8.779 4.952 ( -0.911 -0.130 -3.418) 3.540 5.133 ( -4.907 14.436 0.872) 15.272 5.140 ( -2.328 7.734 2.548) 8.469 5.222 ( -4.163 9.895 -0.703) 10.758 5.347 ( 4.125 7.290 -1.200) 8.462 5.776 ( 4.447 3.943 8.478) 10.353 5.869 ( -2.505 4.205 -1.313) 5.067 6.100 ( 5.052 -6.503 7.034) 10.830 6.184 ( -2.107 -3.296 -4.981) 6.334 6.689 ( -8.189 8.900 -4.959) 13.071 6.812 ( -0.351 11.504 -0.110) 11.510 7.003 ( -8.250 7.176 -4.456) 11.807 7.056 ( 6.778 14.546 5.638) 17.009 7.861 ( -9.058 0.224 -5.222) 10.457 7.956 ( 10.095 7.356 7.938) 14.800 8.247 ( -7.023 8.846 -7.909) 13.789 8.360 ( 7.614 7.236 1.465) 10.606 8.771 ( -4.680 -2.274 -1.478) 5.409 9.022 ( 4.013 9.147 5.287) 11.301 9.065 ( 1.821 2.920 1.207) 3.647 9.215 ( 2.592 14.797 0.673) 15.037 9.299 ( -1.770 16.465 -4.415) 17.138 9.465 ( 6.014 6.996 1.448) 9.338 9.956 ( -10.392 20.007 -5.683) 23.250 10.075 ( 7.525 16.621 6.212) 19.274 10.176 ( -3.693 -0.598 -1.932) 4.211 10.230 ( 3.072 8.599 3.117) 9.648 10.508 ( -3.634 8.304 -2.695) 9.457 10.547 ( -0.403 7.396 -0.668) 7.437 10.743 ( -1.762 -8.231 0.005) 8.417 10.827 ( -2.360 -9.001 -3.101) 9.809 11.317 ( 0.791 4.287 1.116) 4.499 11.350 ( 1.375 3.731 -0.210) 3.982 11.671 ( -4.227 -7.934 -1.352) 9.091 11.801 ( 2.259 -10.867 -1.439) 11.193 12.038 ( -7.898 -12.885 -1.083) 15.152 12.298 ( 3.882 -13.800 -0.060) 14.336 12.831 ( -3.201 -3.300 1.050) 4.716 12.954 ( 1.528 -10.225 0.983) 10.385 13.494 ( -0.770 -16.947 3.383) 17.298 13.649 ( 2.164 -20.362 0.630) 20.486 14.919 ( -0.751 -10.439 -0.963) 10.510 14.961 ( 4.197 -9.554 1.645) 10.564 15.282 ( -2.295 -12.761 -0.951) 13.001 15.320 ( 4.218 -12.690 3.301) 13.774 15.579 ( -1.122 -12.208 -1.556) 12.358 15.616 ( 0.240 -10.734 -1.526) 10.844 15.842 ( 3.500 -5.930 3.605) 7.773 15.889 ( -3.273 -8.726 -3.926) 10.113 16.498 ( 7.238 -4.432 5.585) 10.160 16.527 ( -5.926 -5.924 -6.451) 10.575 17.007 ( 1.755 1.615 0.911) 2.554 17.044 ( -1.444 -1.282 -3.144) 3.690 17.545 ( -5.320 1.338 -3.404) 6.456 17.577 ( 5.682 3.165 4.538) 7.931 18.727 ( -13.903 3.621 -9.220) 17.071 18.944 ( 14.881 0.256 7.972) 16.884 19.754 ( -5.401 -0.616 -2.432) 5.956 19.888 ( 5.296 -2.579 4.122) 7.190 19.923 ( -3.529 8.502 0.691) 9.232 20.070 ( 2.656 2.741 -0.538) 3.855 20.505 ( -1.277 3.130 0.698) 3.452 20.593 ( -0.302 -1.929 -2.452) 3.134 20.825 ( -8.157 1.277 -1.922) 8.477 20.933 ( 5.088 2.310 4.863) 7.407 20.992 ( 3.236 -9.711 1.875) 10.406 21.078 ( 0.013 -8.913 -3.567) 9.601 21.330 ( -4.550 -1.035 -1.922) 5.047 21.524 ( 0.182 3.872 3.149) 4.994 21.646 ( 2.115 -5.608 -0.926) 6.064 21.824 ( 4.681 -3.904 3.008) 6.797 22.007 ( -2.886 -9.021 -1.837) 9.648 22.078 ( 4.274 -9.266 1.384) 10.298 22.378 ( 5.668 0.525 7.522) 9.433 22.529 ( -6.842 3.437 -8.377) 11.349 23.081 ( 5.538 4.943 2.835) 7.946 23.159 ( -0.642 6.284 -5.546) 8.406 23.739 ( 2.090 -0.809 2.516) 3.369 23.852 ( -2.602 -2.215 -6.105) 6.996 24.029 ( -3.657 -8.395 -3.355) 9.753 24.208 ( 1.736 -6.050 -3.877) 7.392 24.225 ( -3.841 1.678 3.290) 5.328 24.387 ( 1.772 -0.975 0.626) 2.117 24.683 ( -5.461 -4.696 4.562) 8.525 24.823 ( 4.279 3.481 5.743) 7.963 24.921 ( -2.204 6.673 1.312) 7.149 25.144 ( -1.040 -9.314 -2.609) 9.728 25.573 ( -0.597 -0.251 0.483) 0.808 25.688 ( 2.566 -3.821 0.009) 4.603 29.435 ( -4.487 9.026 -0.080) 10.080 29.676 ( 3.964 5.513 -3.589) 7.681 29.838 ( -3.045 0.812 4.733) 5.687 30.036 ( 1.108 -1.481 -1.144) 2.175 30.654 ( 1.233 9.051 1.319) 9.230 30.765 ( 1.007 5.635 -2.356) 6.190 30.948 ( -0.768 0.386 0.273) 0.902 31.025 ( 2.840 -1.388 0.085) 3.162 37.317 ( -3.034 4.593 -0.542) 5.531 37.358 ( 1.481 3.814 1.405) 4.326 37.710 ( -1.172 8.325 -4.817) 9.690 37.790 ( 3.891 6.588 -3.970) 8.620 38.364 ( -1.769 8.496 7.966) 11.780 38.530 ( -3.699 4.464 7.129) 9.189 39.096 ( 1.877 12.857 1.174) 13.046 39.213 ( -2.021 5.877 0.297) 6.222 39.417 ( -1.262 5.961 -3.420) 6.988 39.644 ( 7.498 5.607 -3.089) 9.859 40.002 ( -8.875 -1.579 -7.965) 12.029 40.208 ( 6.988 -9.177 -1.222) 11.599 40.881 ( -8.998 -7.211 5.589) 12.814 41.006 ( -14.979 -4.814 1.686) 15.824 41.872 ( 12.476 2.845 1.867) 12.932 42.057 ( 8.007 0.775 -3.528) 8.784 ======================= Grid point 103 (51/96) ======================= q-point: ( 0.33 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -1.696 3.474 -7.022) 8.016 2.454 ( -2.317 2.160 1.291) 3.420 2.594 ( 4.608 6.059 8.725) 11.579 2.715 ( 0.687 0.738 -5.813) 5.900 3.011 ( -2.435 7.680 4.930) 9.446 3.027 ( -1.056 1.631 -0.228) 1.956 3.064 ( 4.715 15.982 4.309) 17.211 3.259 ( 3.224 3.213 1.450) 4.777 3.463 ( -0.026 6.464 -0.147) 6.465 3.491 ( -2.913 11.202 -0.079) 11.575 3.575 ( -5.986 -1.639 -1.106) 6.304 3.745 ( -0.947 3.906 -4.515) 6.045 3.835 ( -3.998 6.791 0.158) 7.882 3.937 ( 4.901 -4.405 -1.749) 6.818 4.220 ( -2.203 0.285 5.543) 5.972 4.314 ( 4.138 7.207 -0.094) 8.311 4.500 ( -0.357 10.035 -1.498) 10.152 4.748 ( 1.610 -2.982 -3.756) 5.059 4.876 ( 1.042 -5.620 -6.301) 8.507 4.966 ( 0.077 11.921 0.046) 11.921 5.027 ( -0.554 12.164 2.727) 12.479 5.148 ( 1.941 21.385 -1.351) 21.515 5.299 ( 14.733 -1.004 7.273) 16.461 5.341 ( -1.187 13.857 -2.670) 14.162 5.730 ( -9.657 -3.739 -3.832) 11.042 6.003 ( 9.808 7.647 12.137) 17.377 6.084 ( -1.731 -3.033 -1.188) 3.689 6.270 ( -4.704 0.443 -2.106) 5.172 6.409 ( -6.768 4.899 -5.752) 10.143 6.758 ( -1.979 3.071 1.292) 3.875 6.852 ( -4.269 8.491 0.478) 9.516 7.291 ( 5.409 13.699 4.395) 15.370 7.792 ( 1.512 10.791 2.614) 11.206 7.981 ( -8.230 4.845 -8.859) 13.027 8.247 ( 8.144 7.684 5.643) 12.539 8.368 ( -2.293 2.741 -4.417) 5.682 8.679 ( -0.933 -5.691 -1.437) 5.944 9.086 ( 2.178 -3.758 0.111) 4.345 9.172 ( 4.960 14.225 5.341) 15.983 9.221 ( -0.408 16.525 -4.744) 17.197 9.325 ( 2.163 17.021 0.618) 17.169 9.557 ( -0.513 -3.163 -0.414) 3.231 9.735 ( -2.789 25.955 -1.060) 26.126 9.922 ( -7.779 8.693 -5.599) 12.940 10.281 ( 1.167 14.130 2.670) 14.427 10.366 ( -1.186 11.013 -0.377) 11.083 10.475 ( 7.449 11.268 6.850) 15.146 10.521 ( -1.958 5.083 -1.858) 5.755 10.753 ( 0.338 -5.181 2.452) 5.742 10.771 ( -1.810 -10.423 -1.337) 10.663 11.286 ( -3.023 -3.528 -1.062) 4.766 11.350 ( 0.406 7.027 -1.255) 7.150 11.689 ( 4.218 -10.059 5.793) 12.350 11.794 ( -4.954 -8.039 -3.874) 10.207 11.911 ( -1.776 -8.889 0.967) 9.116 12.404 ( 3.112 -14.433 3.266) 15.121 12.747 ( -3.513 -5.625 -2.345) 7.034 12.948 ( -1.127 -9.142 -1.438) 9.322 13.491 ( -1.373 -17.147 0.863) 17.224 13.665 ( 0.359 -21.411 -2.029) 21.510 14.939 ( 2.322 -19.636 1.681) 19.844 15.140 ( 7.858 -10.271 4.880) 13.822 15.162 ( -2.825 -7.987 -3.493) 9.163 15.333 ( -4.896 -12.927 -4.582) 14.563 15.556 ( 1.780 -7.620 0.959) 7.884 15.599 ( -1.288 -11.418 -0.923) 11.528 15.784 ( -0.479 -3.569 -0.838) 3.698 16.040 ( 4.349 -12.132 4.412) 13.622 16.346 ( -3.091 -2.023 -4.261) 5.640 16.667 ( 3.198 -7.505 2.934) 8.669 16.910 ( -1.860 2.116 -2.271) 3.618 17.153 ( 4.478 -3.553 1.923) 6.031 17.383 ( -5.026 3.597 -1.796) 6.436 17.872 ( 12.350 -1.197 9.421) 15.579 18.376 ( -13.732 9.814 -8.690) 18.984 19.238 ( 11.578 -7.648 4.902) 14.716 19.542 ( -9.361 4.900 -7.246) 12.812 19.821 ( -2.568 4.648 0.093) 5.311 20.044 ( 0.288 9.779 2.154) 10.017 20.159 ( 4.343 -6.473 1.430) 7.925 20.491 ( 0.240 3.495 0.061) 3.504 20.562 ( -0.421 -0.505 -0.608) 0.896 20.708 ( -4.518 4.343 0.277) 6.273 20.968 ( -0.296 3.658 -5.453) 6.573 21.074 ( 2.984 -9.497 1.284) 10.037 21.108 ( -0.325 -6.654 3.743) 7.641 21.266 ( 1.043 -9.805 0.132) 9.861 21.527 ( 0.772 0.851 1.558) 1.936 21.657 ( -1.837 -4.498 -1.988) 5.250 21.833 ( -0.840 -6.970 -3.352) 7.779 21.988 ( -0.036 -1.612 2.299) 2.808 22.182 ( 5.938 -4.700 1.785) 7.781 22.353 ( -5.068 2.976 -5.406) 7.986 22.536 ( 3.209 -4.180 4.980) 7.251 23.148 ( 2.939 9.176 -0.865) 9.674 23.248 ( 6.605 3.887 3.582) 8.460 23.656 ( -4.372 -2.468 -4.033) 6.439 23.866 ( 1.265 -1.869 1.543) 2.734 23.943 ( -1.959 -8.124 -0.402) 8.366 24.170 ( -2.025 -6.231 -1.053) 6.636 24.218 ( -0.194 0.609 0.705) 0.952 24.416 ( 0.985 -1.083 -0.018) 1.464 24.599 ( -3.737 1.334 0.134) 3.970 24.908 ( -0.704 6.414 3.117) 7.166 24.922 ( -1.342 4.893 3.252) 6.026 25.105 ( -0.327 -16.682 -3.647) 17.079 25.558 ( 0.086 -0.027 -0.907) 0.912 25.713 ( 0.681 -3.565 -1.046) 3.777 29.366 ( -2.810 10.220 0.938) 10.641 29.694 ( 1.231 3.497 -5.216) 6.399 29.846 ( -0.466 1.616 5.553) 5.802 30.036 ( -0.073 -2.747 -0.867) 2.881 30.685 ( 0.871 10.202 1.128) 10.301 30.772 ( 1.432 5.114 -1.335) 5.476 30.942 ( -0.139 0.431 0.482) 0.662 31.072 ( 2.151 -1.569 -0.664) 2.743 37.267 ( -1.798 5.431 -0.016) 5.721 37.381 ( -0.009 2.180 0.173) 2.187 37.692 ( 1.779 9.537 0.403) 9.710 37.861 ( 5.507 5.164 -0.894) 7.602 38.337 ( -4.107 8.111 0.990) 9.145 38.454 ( -8.604 4.968 2.270) 10.192 39.100 ( 0.185 18.103 -4.677) 18.698 39.293 ( 2.745 7.553 4.654) 9.287 39.428 ( 8.946 2.820 6.820) 11.597 39.646 ( -13.021 3.814 -13.441) 19.099 39.842 ( 6.987 5.030 0.927) 8.659 40.345 ( 4.610 -4.734 1.394) 6.753 40.689 ( -11.948 -6.517 -1.158) 13.659 40.805 ( -8.515 -10.525 3.127) 13.895 42.074 ( 7.967 -1.044 0.407) 8.045 42.170 ( 5.737 -0.167 -2.212) 6.151 ======================= Grid point 104 (52/96) ======================= q-point: (-0.50 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 0.169 1.087 -5.577) 5.684 2.421 ( -0.725 -2.415 -1.412) 2.890 2.660 ( 1.261 5.445 0.766) 5.641 2.794 ( 3.782 8.592 9.503) 13.358 3.001 ( -3.259 3.887 1.842) 5.396 3.077 ( 2.588 8.492 6.898) 11.243 3.138 ( 0.681 7.146 4.193) 8.313 3.312 ( -4.354 5.710 1.744) 7.389 3.417 ( -0.229 5.663 -2.570) 6.223 3.461 ( 0.240 3.224 -1.501) 3.565 3.504 ( 1.342 5.609 -2.704) 6.370 3.699 ( 2.129 4.793 -3.507) 6.308 3.777 ( -1.928 7.882 -1.234) 8.207 3.938 ( -0.352 -6.280 -7.660) 9.912 4.186 ( -5.628 3.642 4.289) 7.958 4.384 ( 3.839 5.313 0.187) 6.557 4.486 ( -1.897 11.833 -0.561) 11.997 4.721 ( -1.596 8.891 -3.999) 9.879 4.779 ( -1.543 -5.295 -4.045) 6.839 4.984 ( 2.273 5.358 -4.073) 7.103 5.119 ( 3.238 15.173 7.141) 17.079 5.192 ( -1.948 16.597 -3.013) 16.980 5.245 ( 3.112 12.551 -4.126) 13.573 5.485 ( -11.964 -2.523 -0.668) 12.246 5.699 ( 13.758 -4.804 8.056) 16.651 5.866 ( -9.124 1.902 -5.775) 10.964 6.191 ( -5.358 -2.610 1.081) 6.057 6.282 ( 1.784 -0.919 1.926) 2.782 6.435 ( 13.020 10.796 9.716) 19.506 6.686 ( -1.508 1.217 -1.031) 2.195 6.873 ( 0.953 8.771 3.397) 9.454 7.284 ( -7.483 15.896 -4.731) 18.195 7.655 ( -0.574 5.227 -5.971) 7.957 8.072 ( -3.399 1.688 -6.153) 7.229 8.159 ( 5.160 14.014 5.369) 15.870 8.492 ( 2.226 6.412 3.277) 7.537 8.689 ( 3.620 -6.143 2.807) 7.663 9.018 ( -4.845 8.227 -5.344) 10.942 9.130 ( -4.524 4.295 -4.721) 7.823 9.209 ( -0.635 13.507 -5.042) 14.432 9.428 ( 0.853 7.598 3.724) 8.505 9.598 ( 0.407 8.842 2.702) 9.254 9.698 ( 6.444 23.009 3.408) 24.136 9.935 ( 8.071 12.130 4.774) 15.332 10.222 ( -4.877 12.499 -3.788) 13.941 10.360 ( -9.536 9.168 -8.518) 15.733 10.449 ( 4.326 13.267 6.785) 15.516 10.592 ( 0.587 0.815 1.548) 1.845 10.737 ( -1.042 -3.669 0.302) 3.826 10.789 ( 0.609 -8.378 1.736) 8.577 11.285 ( 2.342 -3.272 2.537) 4.757 11.368 ( 1.612 6.285 0.418) 6.502 11.653 ( -4.086 -8.752 -1.268) 9.742 11.858 ( 1.501 -9.510 1.452) 9.737 11.896 ( 3.360 -9.415 5.341) 11.334 12.381 ( -5.070 -11.293 -3.305) 12.812 12.741 ( 2.758 -8.794 1.285) 9.306 12.922 ( 0.086 -9.270 -2.244) 9.538 13.465 ( -1.453 -17.721 -0.515) 17.788 13.640 ( -0.294 -21.259 -3.991) 21.632 14.939 ( -1.207 -17.226 -0.445) 17.274 15.130 ( -7.053 -8.547 -4.970) 12.145 15.191 ( 4.425 -9.965 2.961) 11.298 15.331 ( 3.251 -13.276 0.277) 13.671 15.575 ( 1.472 -7.392 1.819) 7.753 15.612 ( 1.210 -11.441 1.695) 11.629 15.790 ( 1.651 -4.011 0.747) 4.401 16.016 ( -6.564 -12.896 -4.049) 15.026 16.395 ( 6.877 -2.057 5.032) 8.766 16.658 ( -4.215 -6.961 -2.355) 8.471 16.941 ( 4.620 2.009 3.564) 6.171 17.184 ( -4.050 -2.803 -1.577) 5.171 17.364 ( 4.978 3.461 3.410) 6.956 17.821 ( -13.999 0.202 -10.341) 17.405 18.436 ( 14.768 7.278 13.044) 21.005 19.225 ( -10.723 -6.613 -9.967) 16.065 19.557 ( 11.311 3.801 6.301) 13.494 19.830 ( 1.644 4.443 3.588) 5.942 19.968 ( -6.619 7.876 -6.035) 11.928 20.158 ( -2.354 -3.763 -3.400) 5.592 20.542 ( 2.094 1.804 0.982) 2.933 20.548 ( -0.930 3.735 1.286) 4.058 20.663 ( 0.260 3.571 0.872) 3.685 20.897 ( -1.157 0.821 -7.776) 7.904 21.076 ( -1.174 -9.120 -0.996) 9.249 21.105 ( -0.959 -7.910 0.297) 7.974 21.349 ( 2.499 -8.259 6.238) 10.648 21.565 ( -5.049 -2.332 0.321) 5.571 21.607 ( 5.379 -5.480 0.227) 7.682 21.800 ( -0.029 -6.506 -5.466) 8.497 22.017 ( 0.684 -0.236 4.216) 4.277 22.221 ( -3.814 -4.222 -1.797) 5.967 22.358 ( 8.363 3.739 3.193) 9.701 22.526 ( -5.778 -2.981 -1.441) 6.659 23.198 ( 1.678 11.336 1.631) 11.575 23.274 ( -4.567 3.849 -1.703) 6.211 23.676 ( 6.863 -1.783 3.519) 7.916 23.868 ( -2.484 -1.997 -0.827) 3.293 23.984 ( 4.623 -6.126 4.707) 9.004 24.146 ( -0.546 -6.837 0.773) 6.902 24.222 ( 0.583 -1.505 1.046) 1.923 24.431 ( 0.553 -3.534 0.578) 3.623 24.557 ( -1.670 1.598 -0.578) 2.383 24.851 ( -4.428 3.680 -3.461) 6.718 24.900 ( -2.158 5.390 0.393) 5.819 25.071 ( 0.490 -12.984 -4.229) 13.664 25.574 ( 1.158 -1.021 0.845) 1.760 25.706 ( -0.033 -3.566 -1.830) 4.008 29.360 ( 0.507 10.254 2.606) 10.592 29.650 ( -0.056 4.720 -6.499) 8.033 29.882 ( -1.304 0.208 5.137) 5.304 30.033 ( 0.827 -2.750 -0.676) 2.950 30.699 ( -0.467 9.741 1.136) 9.818 30.789 ( 1.068 5.064 -0.584) 5.209 30.949 ( 0.036 0.454 1.221) 1.303 31.080 ( -0.228 -1.624 -1.732) 2.385 37.262 ( 0.670 6.046 1.316) 6.224 37.364 ( -0.859 3.868 -1.466) 4.225 37.771 ( 3.201 7.738 6.168) 10.401 37.959 ( 3.921 3.631 2.885) 6.073 38.265 ( -2.430 6.109 -5.149) 8.351 38.294 ( -7.043 7.509 -2.746) 10.656 39.064 ( 1.816 14.235 -4.026) 14.904 39.301 ( -11.577 9.969 -8.677) 17.570 39.426 ( 4.813 7.209 7.137) 11.228 39.758 ( 15.815 6.033 11.473) 20.448 39.877 ( -3.008 4.466 -3.932) 6.668 40.337 ( -5.109 -0.792 -5.715) 7.706 40.581 ( 2.333 -6.075 3.913) 7.594 40.730 ( -2.225 -16.507 0.044) 16.656 42.146 ( -0.566 -2.432 -0.356) 2.522 42.209 ( 0.859 0.052 -1.942) 2.124 ======================= Grid point 105 (53/96) ======================= q-point: (-0.33 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -0.004 0.626 -1.604) 1.722 2.371 ( -0.825 -4.527 -5.365) 7.068 2.783 ( 5.198 9.831 7.378) 13.345 2.879 ( -6.479 5.240 7.787) 11.405 2.892 ( -3.541 13.637 -2.567) 14.322 3.081 ( -2.302 0.777 1.265) 2.739 3.239 ( 3.394 1.943 5.245) 6.542 3.282 ( -0.014 9.851 7.306) 12.264 3.395 ( 2.471 12.825 -3.765) 13.593 3.496 ( 2.003 -1.283 -4.277) 4.894 3.532 ( 3.924 1.043 -0.616) 4.107 3.728 ( -2.101 7.067 -7.127) 10.254 3.762 ( 3.478 8.567 2.074) 9.476 3.876 ( 2.732 -0.071 -5.498) 6.140 4.119 ( -3.529 1.276 2.008) 4.256 4.341 ( -8.841 9.986 4.846) 14.191 4.545 ( 6.416 3.837 -0.136) 7.477 4.654 ( -3.447 8.286 -9.289) 12.916 4.726 ( -4.287 -2.798 -1.967) 5.484 4.844 ( -1.489 1.320 -2.827) 3.457 5.092 ( -4.967 13.587 -2.175) 14.629 5.179 ( 2.578 18.115 -1.251) 18.341 5.368 ( -0.773 7.838 5.807) 9.785 5.461 ( 6.741 4.869 4.064) 9.256 5.687 ( -8.314 -2.416 -2.948) 9.146 5.865 ( -1.866 -3.345 0.972) 3.952 6.068 ( -2.607 -6.848 0.757) 7.367 6.260 ( 0.839 0.603 1.138) 1.536 6.711 ( 3.844 8.267 3.362) 9.717 6.776 ( 5.886 4.389 2.289) 7.691 6.971 ( -11.994 11.506 -9.617) 19.202 7.037 ( 13.425 15.573 8.531) 22.261 7.777 ( -1.929 4.866 -5.754) 7.779 7.864 ( 7.275 2.757 0.711) 7.813 8.352 ( 3.578 10.690 5.244) 12.433 8.411 ( -6.938 9.965 -4.951) 13.113 8.823 ( -2.767 -3.051 1.955) 4.560 8.942 ( 1.742 12.037 0.272) 12.165 8.990 ( -2.758 -1.771 -3.699) 4.942 9.150 ( 2.207 8.594 -3.432) 9.513 9.457 ( -4.135 16.516 1.210) 17.069 9.519 ( 0.077 15.670 1.526) 15.744 9.932 ( -6.105 21.199 -4.235) 22.463 10.030 ( -1.481 19.575 -2.271) 19.762 10.156 ( 2.080 1.958 0.085) 2.858 10.189 ( 8.140 6.025 4.557) 11.105 10.550 ( 1.569 4.076 2.490) 5.028 10.592 ( -2.349 4.159 0.139) 4.778 10.757 ( 2.793 -5.333 3.560) 6.994 10.820 ( 3.423 -7.910 0.108) 8.619 11.318 ( -1.346 3.495 0.170) 3.749 11.369 ( -1.940 2.722 -1.279) 3.579 11.691 ( 4.814 -8.513 5.492) 11.217 11.799 ( 0.091 -10.181 -3.103) 10.644 12.069 ( 0.992 -12.141 5.457) 13.348 12.289 ( 2.957 -11.940 -1.135) 12.354 12.781 ( -0.789 -5.701 -0.234) 5.760 12.900 ( -0.170 -10.972 -3.348) 11.473 13.441 ( -0.974 -17.886 0.442) 17.918 13.594 ( -0.704 -20.489 -4.372) 20.962 14.954 ( -1.563 -8.899 0.738) 9.066 14.996 ( 0.474 -9.819 1.378) 9.927 15.256 ( -3.194 -11.010 -2.373) 11.707 15.297 ( -0.809 -13.830 -1.470) 13.931 15.610 ( -1.536 -10.502 -0.017) 10.614 15.657 ( 1.491 -11.397 1.447) 11.585 15.814 ( -6.270 -6.350 -4.045) 9.798 15.925 ( 8.211 -10.360 5.268) 14.230 16.492 ( -9.389 -3.443 -5.269) 11.304 16.587 ( 7.231 -5.783 5.473) 10.756 17.018 ( -7.550 2.922 -3.842) 8.961 17.117 ( 6.898 -1.212 5.940) 9.184 17.502 ( -8.613 2.993 -6.890) 11.429 17.591 ( 11.176 0.831 7.664) 13.577 18.803 ( 8.002 2.131 8.772) 12.063 18.903 ( -9.549 -0.462 -9.465) 13.453 19.698 ( -9.773 6.305 -7.932) 14.078 19.850 ( 8.679 -4.883 4.424) 10.897 19.926 ( 3.968 4.923 5.127) 8.140 20.071 ( -2.191 1.956 -4.357) 5.255 20.496 ( -1.688 4.024 0.272) 4.372 20.655 ( 3.098 -0.687 3.564) 4.772 20.708 ( 5.571 4.013 -0.506) 6.884 20.802 ( -2.353 -1.826 -6.659) 7.295 21.038 ( -2.090 -9.330 0.647) 9.583 21.119 ( 2.433 -8.889 0.065) 9.216 21.416 ( -0.553 -3.837 5.624) 6.831 21.487 ( -3.704 0.212 -0.174) 3.714 21.654 ( -2.114 -9.206 -4.033) 10.270 21.746 ( 0.958 -5.571 -3.679) 6.744 22.084 ( 1.796 -3.328 5.439) 6.624 22.131 ( -4.665 -3.875 -1.404) 6.225 22.340 ( -9.135 1.053 -4.041) 10.044 22.569 ( 8.892 2.029 3.999) 9.959 23.151 ( -5.098 7.222 0.439) 8.851 23.268 ( 2.879 9.097 3.482) 10.157 23.727 ( -6.683 0.321 -4.213) 7.907 23.880 ( 7.825 -2.005 2.226) 8.379 24.080 ( 1.698 0.611 -1.081) 2.103 24.176 ( 2.135 -6.219 0.711) 6.614 24.287 ( 2.129 -9.602 8.346) 12.899 24.434 ( -0.691 -9.051 2.049) 9.306 24.500 ( -3.002 1.503 -3.306) 4.711 24.729 ( -3.319 0.708 -6.292) 7.149 24.918 ( 3.484 5.380 3.801) 7.451 25.072 ( 3.107 -4.286 -3.371) 6.276 25.584 ( -1.232 -1.377 0.678) 1.968 25.679 ( -0.976 -4.338 -2.571) 5.136 29.418 ( 2.666 9.179 3.289) 10.108 29.608 ( 1.750 6.911 -6.185) 9.438 29.874 ( -3.255 -0.355 3.804) 5.019 30.052 ( 1.097 -2.298 -0.285) 2.562 30.685 ( -2.062 8.292 1.111) 8.617 30.794 ( 0.236 5.413 -1.046) 5.518 30.960 ( -0.274 0.511 1.754) 1.848 31.042 ( -1.878 -1.485 -1.990) 3.113 37.295 ( 0.928 6.338 0.623) 6.436 37.346 ( 0.494 5.430 -0.439) 5.470 37.875 ( 1.171 6.868 7.038) 9.904 37.988 ( -4.808 4.193 1.472) 6.547 38.183 ( -0.280 6.195 -3.863) 7.306 38.225 ( 3.266 5.504 -4.224) 7.668 39.088 ( -2.993 11.338 -4.046) 12.405 39.150 ( 6.383 7.519 1.783) 10.023 39.529 ( -2.522 10.021 3.542) 10.924 39.739 ( -3.137 8.503 -2.669) 9.448 40.077 ( -1.543 -2.530 -1.064) 3.149 40.240 ( 12.095 0.652 3.351) 12.568 40.650 ( -1.892 -10.344 -4.435) 11.412 40.780 ( 9.878 -8.776 4.021) 13.812 42.053 ( -8.815 -0.392 -0.226) 8.827 42.170 ( -3.517 -0.321 -2.035) 4.077 ======================= Grid point 106 (54/96) ======================= q-point: (-0.17 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -0.037 2.744 2.056) 3.429 2.339 ( 1.175 -2.901 -2.909) 4.273 2.723 ( -5.636 20.983 1.606) 21.786 2.828 ( -1.271 4.152 -4.297) 6.109 2.938 ( -0.801 -0.946 7.932) 8.029 3.110 ( 1.557 1.959 0.890) 2.656 3.271 ( -2.002 3.922 -2.025) 4.847 3.338 ( 0.849 9.928 3.131) 10.444 3.436 ( 0.802 6.629 2.242) 7.044 3.495 ( 2.686 -1.250 -8.124) 8.647 3.596 ( 4.205 0.651 -3.007) 5.210 3.634 ( 1.146 8.842 -0.976) 8.970 3.844 ( 2.132 9.120 5.760) 10.996 3.931 ( 4.691 6.203 -0.655) 7.804 4.071 ( -4.146 0.310 1.946) 4.590 4.222 ( -10.867 -1.034 6.153) 12.531 4.364 ( -7.934 6.321 -5.414) 11.498 4.732 ( 3.632 0.520 -4.807) 6.048 4.739 ( 11.201 3.244 1.120) 11.715 4.942 ( 6.868 3.431 1.621) 7.847 5.045 ( -0.105 14.367 -0.785) 14.389 5.143 ( -2.791 12.913 -2.349) 13.418 5.307 ( -6.497 17.120 1.177) 18.349 5.427 ( -8.588 -3.647 -7.170) 11.767 5.535 ( -5.916 0.707 7.173) 9.325 5.947 ( 9.231 2.150 6.534) 11.512 6.149 ( -1.251 -4.829 0.441) 5.008 6.272 ( 4.287 9.224 4.414) 11.088 6.528 ( -14.604 5.922 -11.283) 19.382 6.827 ( 6.241 5.171 1.727) 8.287 6.968 ( 2.688 2.181 0.311) 3.475 7.335 ( 6.162 18.878 4.561) 20.375 7.693 ( 5.982 13.672 -0.121) 14.924 8.047 ( -3.067 -1.275 -3.240) 4.640 8.277 ( 4.794 4.657 -0.053) 6.684 8.406 ( -1.010 1.173 1.873) 2.430 8.589 ( -9.877 -2.015 -7.471) 12.547 8.999 ( 2.709 15.464 3.293) 16.041 9.059 ( 0.565 0.318 2.174) 2.268 9.214 ( 4.099 3.845 0.580) 5.650 9.354 ( -3.661 11.735 0.178) 12.294 9.590 ( -1.760 9.123 1.368) 9.392 9.676 ( -3.919 31.455 -5.093) 32.105 9.910 ( -2.670 16.429 -3.192) 16.948 10.314 ( 3.925 9.755 2.162) 10.735 10.385 ( 5.281 4.523 4.449) 8.255 10.505 ( -2.636 9.416 -1.836) 9.949 10.570 ( -0.087 5.151 -0.476) 5.174 10.832 ( 1.870 -8.244 0.734) 8.485 10.909 ( 3.423 -8.411 -0.484) 9.094 11.279 ( -1.561 1.467 -0.610) 2.228 11.300 ( -2.487 0.563 -0.726) 2.651 11.747 ( 0.033 -11.008 0.538) 11.021 11.911 ( 7.565 -8.688 4.332) 12.307 11.995 ( -4.228 -4.652 -5.907) 8.626 12.468 ( 6.424 -22.849 5.452) 24.353 12.702 ( -2.762 -5.420 -3.501) 7.018 12.872 ( -0.659 -1.730 -0.579) 1.939 13.442 ( -0.357 -17.964 2.756) 18.177 13.564 ( 0.638 -20.258 -1.579) 20.329 14.939 ( 1.009 -17.516 1.443) 17.604 15.096 ( -1.154 -3.590 1.530) 4.069 15.142 ( 0.929 -12.188 1.321) 12.294 15.236 ( -4.812 -15.421 -3.702) 16.573 15.571 ( -1.904 -6.984 -0.916) 7.297 15.607 ( -1.402 -12.495 -0.991) 12.613 15.797 ( 1.183 -2.976 0.247) 3.212 16.086 ( 2.901 -14.524 2.036) 14.950 16.313 ( -4.332 2.608 -2.246) 5.533 16.706 ( 2.293 -7.559 1.482) 8.037 16.895 ( -2.657 2.501 -1.453) 3.928 17.152 ( -3.346 -3.655 -1.427) 5.157 17.444 ( 2.852 3.249 0.333) 4.336 17.898 ( 10.631 -2.182 8.437) 13.746 18.488 ( -11.655 8.590 -11.761) 18.653 19.126 ( 6.504 -8.157 8.838) 13.673 19.433 ( -7.073 12.848 -6.454) 16.024 19.960 ( 0.003 -2.734 -1.393) 3.069 20.019 ( 2.709 4.474 1.408) 5.417 20.085 ( 2.777 -4.671 3.081) 6.247 20.499 ( 1.759 2.750 0.518) 3.305 20.664 ( -3.977 -1.653 -5.308) 6.836 20.695 ( 0.629 -0.481 2.321) 2.452 20.880 ( 6.638 -2.224 0.088) 7.001 21.050 ( 2.393 -5.709 3.395) 7.060 21.178 ( 3.892 -4.763 -0.312) 6.158 21.360 ( -7.988 -5.246 -3.035) 10.027 21.462 ( -0.508 -0.511 2.413) 2.519 21.554 ( -0.653 -2.228 -1.226) 2.626 21.747 ( -1.335 -4.114 0.167) 4.328 22.019 ( -5.600 0.136 -0.245) 5.607 22.148 ( -0.294 -1.475 1.859) 2.391 22.203 ( -1.645 -8.331 -0.463) 8.504 22.691 ( 2.615 -2.511 -0.227) 3.633 23.103 ( -2.231 9.540 0.715) 9.823 23.344 ( 1.075 11.126 0.853) 11.210 23.568 ( -3.871 2.069 -2.758) 5.184 23.999 ( 3.163 -4.273 -1.018) 5.413 24.085 ( 0.968 -2.924 -1.134) 3.282 24.181 ( 1.437 -6.331 -5.033) 8.215 24.310 ( -2.208 -8.080 1.167) 8.457 24.408 ( -2.273 0.589 -4.282) 4.884 24.538 ( 1.592 -9.464 13.330) 16.425 24.669 ( 0.608 2.249 -0.868) 2.487 25.049 ( 4.656 3.142 3.061) 6.397 25.105 ( 2.817 0.478 -1.984) 3.479 25.546 ( -1.673 -1.307 -1.063) 2.374 25.642 ( -1.179 -4.803 -0.631) 4.986 29.478 ( 1.336 7.992 1.343) 8.213 29.626 ( 4.217 7.297 -4.061) 9.355 29.848 ( -2.372 0.684 3.552) 4.326 30.050 ( -1.038 -1.199 -0.554) 1.680 30.650 ( -2.333 7.042 0.919) 7.475 30.784 ( -0.002 5.814 -1.697) 6.056 30.967 ( -0.185 0.373 1.154) 1.227 30.996 ( -1.650 -1.070 -0.969) 2.192 37.300 ( 0.718 6.675 -0.824) 6.764 37.369 ( 0.525 4.637 1.299) 4.844 37.844 ( -4.069 8.234 -4.154) 10.081 37.927 ( -2.222 6.403 -2.542) 7.238 38.165 ( 2.136 6.693 1.770) 7.245 38.342 ( 4.336 1.780 8.605) 9.799 39.065 ( 2.903 13.958 -1.658) 14.352 39.323 ( 5.376 3.069 4.909) 7.901 39.397 ( -7.131 4.944 -2.665) 9.078 39.751 ( 3.279 6.186 -0.886) 7.057 39.907 ( -6.395 -2.295 -7.152) 9.865 40.516 ( -1.974 -3.857 -10.846) 11.680 40.628 ( 12.603 -5.253 12.790) 18.709 41.018 ( 12.635 -7.694 1.853) 14.909 41.849 ( -13.191 4.188 1.139) 13.887 42.066 ( -4.771 0.291 -3.035) 5.662 ======================= Grid point 107 (55/96) ======================= q-point: ( 0.00 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 4.168 1.394 2.987) 5.314 2.383 ( 3.074 -0.842 5.679) 6.512 2.775 ( -4.075 2.436 -6.317) 7.903 2.836 ( -2.915 -3.201 -3.224) 5.398 3.056 ( -0.166 3.107 1.819) 3.604 3.076 ( -2.450 -0.191 -2.822) 3.742 3.296 ( -1.487 11.712 -0.500) 11.817 3.445 ( 1.465 -0.185 -2.199) 2.649 3.517 ( 2.790 3.722 -1.707) 4.955 3.593 ( 3.098 -1.915 2.633) 4.494 3.700 ( 0.565 6.049 4.234) 7.405 3.824 ( -2.368 -2.899 1.462) 4.018 3.897 ( 0.012 0.730 4.566) 4.624 3.986 ( -1.751 -5.981 4.067) 7.442 4.051 ( -2.025 6.735 2.287) 7.396 4.138 ( -0.586 0.559 -2.722) 2.840 4.492 ( 3.811 9.045 -5.745) 11.373 4.680 ( 4.028 -9.053 -10.815) 14.668 4.829 ( 3.537 7.488 2.074) 8.537 4.990 ( -0.076 -6.631 2.442) 7.067 5.159 ( 2.218 2.652 5.492) 6.489 5.239 ( -1.289 -3.952 4.948) 6.462 5.474 ( -6.095 9.565 2.169) 11.548 5.521 ( 2.749 8.110 1.386) 8.675 5.777 ( -4.572 13.228 -4.263) 14.631 5.955 ( -3.137 -8.087 -1.890) 8.878 6.044 ( -0.680 5.773 2.754) 6.432 6.230 ( -3.055 -7.758 -2.188) 8.621 6.785 ( 0.652 9.756 3.797) 10.489 6.926 ( -4.146 -3.903 -2.906) 6.393 7.038 ( 9.758 13.302 2.513) 16.688 7.363 ( 5.797 -13.472 -0.755) 14.685 7.954 ( -12.290 10.511 -8.170) 18.119 8.119 ( -12.807 -4.186 -7.147) 15.252 8.298 ( 11.083 10.691 4.901) 16.160 8.481 ( 5.898 10.207 4.158) 12.500 8.524 ( 10.764 -7.545 7.434) 15.102 8.798 ( 0.083 -14.558 0.960) 14.589 9.238 ( -1.178 1.587 -0.161) 1.982 9.282 ( -2.293 -2.501 0.059) 3.394 9.720 ( -0.269 15.365 -3.084) 15.674 9.746 ( -0.243 14.637 -2.374) 14.830 10.246 ( 2.409 12.936 0.389) 13.164 10.329 ( 0.976 15.781 0.531) 15.820 10.450 ( -1.009 -0.623 -1.325) 1.778 10.535 ( -2.664 3.451 -3.318) 5.479 10.562 ( -1.427 8.622 0.887) 8.785 10.695 ( 0.947 0.256 1.840) 2.085 10.764 ( -0.810 -2.623 -1.987) 3.388 10.821 ( -6.923 9.671 -4.049) 12.564 11.126 ( 1.088 -8.558 1.286) 8.722 11.285 ( 1.619 -5.216 2.356) 5.948 11.628 ( 0.873 0.310 -1.701) 1.937 11.792 ( -2.075 -1.845 -3.652) 4.588 11.887 ( -1.043 -8.115 2.110) 8.450 12.052 ( -0.237 -11.935 -2.423) 12.181 12.749 ( 1.784 6.243 2.216) 6.860 12.814 ( -0.782 -1.185 0.885) 1.673 13.120 ( 0.700 -13.603 2.896) 13.926 13.215 ( 1.491 -18.124 1.356) 18.235 14.708 ( 3.997 -0.661 2.707) 4.872 14.863 ( 3.544 -12.763 2.246) 13.435 14.990 ( -2.268 -2.025 -0.354) 3.061 15.049 ( 0.239 -7.319 1.831) 7.548 15.438 ( -1.060 -1.852 -1.620) 2.679 15.467 ( -0.808 -3.501 -1.012) 3.733 15.787 ( -0.960 1.890 -1.504) 2.599 15.868 ( -2.605 -6.447 -2.571) 7.414 16.395 ( 0.843 6.347 -0.124) 6.404 16.535 ( -2.056 -7.211 -2.362) 7.862 16.976 ( 2.829 4.607 1.760) 5.685 17.063 ( 1.736 -3.730 0.565) 4.153 17.572 ( -1.497 8.028 -1.593) 8.321 17.742 ( -6.596 -7.420 -5.813) 11.504 18.706 ( 6.259 7.332 4.062) 10.461 18.881 ( -3.339 -9.515 -1.999) 10.280 19.697 ( 5.011 5.829 4.392) 8.853 19.796 ( -0.512 -5.616 0.240) 5.644 20.075 ( -0.878 1.585 0.158) 1.819 20.088 ( 0.377 0.214 -0.278) 0.515 20.568 ( 0.615 2.351 0.714) 2.533 20.588 ( 0.493 0.358 -0.358) 0.707 20.707 ( 2.546 -3.369 2.666) 4.994 20.739 ( -1.995 -7.740 1.908) 8.218 21.048 ( -2.643 3.086 -2.030) 4.542 21.127 ( -3.385 -3.194 -2.461) 5.265 21.386 ( 6.170 3.437 1.068) 7.143 21.434 ( -2.377 -0.511 0.519) 2.486 21.652 ( 2.039 2.715 2.059) 3.971 21.697 ( 2.920 -1.175 1.798) 3.625 21.924 ( -2.877 -0.702 -2.332) 3.769 21.969 ( -5.124 -4.553 -4.080) 7.977 22.296 ( 4.572 8.115 7.125) 11.727 22.530 ( 2.521 -12.431 2.495) 12.927 23.230 ( -5.172 11.473 -8.318) 15.085 23.405 ( -7.723 -1.387 -11.465) 13.893 23.691 ( 3.679 6.690 2.631) 8.075 23.837 ( -1.304 -6.892 -3.469) 7.826 24.000 ( -0.548 -1.454 -0.593) 1.663 24.042 ( 3.628 -6.105 -1.014) 7.173 24.264 ( 1.311 0.399 4.528) 4.731 24.316 ( 0.710 -4.503 5.206) 6.920 24.611 ( 0.171 4.390 4.009) 5.947 24.710 ( 1.586 -3.493 2.347) 4.497 25.097 ( -2.685 2.375 -2.619) 4.440 25.124 ( -1.293 -1.041 -2.256) 2.801 25.543 ( 1.598 0.329 1.836) 2.456 25.571 ( 1.391 -2.522 1.507) 3.251 29.642 ( -0.823 6.512 0.316) 6.572 29.724 ( 1.032 -0.569 -2.070) 2.382 29.882 ( -1.029 3.587 1.814) 4.149 29.975 ( 0.223 -4.427 -0.813) 4.507 30.785 ( 0.600 7.044 1.088) 7.153 30.867 ( 0.407 1.803 -0.601) 1.943 30.936 ( 0.088 -1.844 -0.151) 1.853 30.958 ( -0.602 -1.547 -0.202) 1.672 37.401 ( 0.376 2.353 -0.513) 2.438 37.416 ( -0.904 0.868 -0.331) 1.296 37.891 ( -1.108 3.886 -5.769) 7.043 37.914 ( -1.856 1.658 -6.716) 7.163 38.411 ( 2.547 5.373 11.555) 12.995 38.483 ( 1.960 -1.658 12.198) 12.466 39.323 ( -6.252 6.677 -4.725) 10.295 39.373 ( -5.229 0.795 -2.398) 5.808 39.465 ( 9.213 8.252 2.330) 12.586 39.642 ( 7.200 -7.547 -1.882) 10.599 39.965 ( -2.586 7.005 -2.909) 8.014 40.158 ( -5.610 -10.601 -8.214) 14.537 40.877 ( 1.078 3.305 6.215) 7.121 40.992 ( 0.721 -7.764 1.857) 8.016 41.875 ( -0.204 7.228 0.548) 7.252 41.978 ( 0.681 -2.911 -1.930) 3.558 ======================= Grid point 108 (56/96) ======================= q-point: ( 0.17 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 2.720 1.829 5.848) 6.704 2.487 ( 1.062 0.026 6.763) 6.846 2.628 ( -3.730 3.674 -7.485) 9.135 2.717 ( -3.831 -4.992 -7.906) 10.104 3.033 ( 0.407 2.639 -0.041) 2.671 3.085 ( 1.164 -1.494 0.359) 1.927 3.298 ( 1.967 13.559 -0.058) 13.701 3.430 ( -1.534 3.148 -2.280) 4.179 3.541 ( -0.832 4.240 0.225) 4.327 3.629 ( -1.813 -3.030 -0.425) 3.557 3.729 ( -0.447 2.771 1.824) 3.348 3.765 ( -3.178 3.391 1.333) 4.834 3.877 ( -2.407 0.374 1.781) 3.017 3.965 ( -5.083 -5.329 0.890) 7.418 4.118 ( 5.687 4.096 4.736) 8.459 4.219 ( 7.923 -4.208 4.970) 10.256 4.572 ( 9.006 4.976 -6.953) 12.418 4.681 ( 6.191 -4.925 -11.364) 13.847 4.898 ( -0.945 7.916 1.255) 8.071 4.972 ( 0.807 1.013 1.809) 2.225 5.198 ( -4.174 1.836 4.190) 6.193 5.236 ( -3.569 -1.181 2.711) 4.635 5.483 ( 4.678 9.699 5.371) 12.033 5.561 ( 1.096 10.648 -2.603) 11.016 5.762 ( 5.929 -4.705 7.262) 10.490 5.870 ( -3.004 -7.097 -4.005) 8.685 6.061 ( -1.646 5.862 4.505) 7.575 6.133 ( -1.857 -1.352 -1.466) 2.725 6.770 ( -5.187 2.472 -0.409) 5.760 6.846 ( -2.301 -4.250 1.552) 5.076 7.220 ( -11.042 11.798 -10.633) 19.344 7.322 ( 5.871 5.802 0.016) 8.254 7.819 ( -4.637 0.226 -1.028) 4.755 7.942 ( 11.239 -7.486 7.351) 15.375 8.447 ( -6.298 11.231 -5.201) 13.887 8.559 ( 5.071 13.209 1.444) 14.222 8.665 ( -6.773 -8.220 -3.608) 11.246 8.851 ( 6.624 -13.198 3.070) 15.083 9.220 ( 0.803 3.803 1.558) 4.188 9.291 ( 4.980 -2.779 3.380) 6.630 9.691 ( -0.452 14.334 -3.373) 14.732 9.723 ( -0.151 10.394 -4.136) 11.188 10.289 ( -2.251 12.028 0.482) 12.246 10.322 ( -6.863 13.147 -6.175) 16.065 10.376 ( 1.975 3.695 3.791) 5.650 10.450 ( 0.937 -3.181 -0.628) 3.375 10.623 ( 2.458 7.489 3.120) 8.478 10.636 ( -4.262 -0.049 -4.781) 6.405 10.717 ( -1.058 9.688 2.550) 10.074 10.764 ( 0.651 9.845 1.714) 10.014 11.218 ( 4.157 -12.594 3.266) 13.658 11.273 ( 0.305 -13.351 -2.572) 13.600 11.640 ( -5.905 6.433 -3.330) 9.346 11.702 ( 1.948 4.480 -0.355) 4.898 11.865 ( -3.664 -6.583 2.043) 7.806 12.023 ( -0.376 -15.263 -1.881) 15.384 12.774 ( -2.056 2.086 0.369) 2.952 12.823 ( 2.162 1.847 2.225) 3.610 13.152 ( -0.167 -14.687 2.713) 14.936 13.238 ( 0.349 -18.919 0.055) 18.923 14.819 ( -5.234 1.162 -4.746) 7.161 14.858 ( 6.202 -0.503 3.592) 7.185 15.030 ( -2.201 -9.768 -0.988) 10.062 15.061 ( 4.889 -10.686 3.954) 12.399 15.427 ( -0.067 -3.213 -0.859) 3.326 15.443 ( 1.156 -5.041 -0.345) 5.183 15.777 ( 0.903 -1.169 0.853) 1.706 15.787 ( -2.041 -2.275 -2.067) 3.689 16.453 ( 1.183 -0.625 0.147) 1.346 16.460 ( -0.559 -1.324 -1.501) 2.078 17.051 ( -2.333 1.574 -3.612) 4.579 17.057 ( 2.912 1.300 0.766) 3.279 17.571 ( -3.932 1.690 -2.367) 4.891 17.604 ( 3.848 -0.692 2.974) 4.912 18.763 ( -6.657 1.818 -3.833) 7.894 18.854 ( 5.254 -6.721 3.186) 9.107 19.755 ( -2.681 2.383 -1.265) 3.804 19.823 ( 1.808 -3.547 1.286) 4.184 20.070 ( 1.252 5.106 1.867) 5.579 20.117 ( 2.633 0.574 0.338) 2.716 20.568 ( -0.946 0.836 -1.192) 1.736 20.595 ( 0.121 3.190 0.189) 3.198 20.717 ( -0.745 -4.342 0.876) 4.491 20.815 ( 4.134 -8.948 2.644) 10.205 20.988 ( -1.308 4.149 2.018) 4.796 21.047 ( -1.649 -0.447 -0.326) 1.739 21.378 ( -3.212 5.582 -2.393) 6.871 21.513 ( 5.132 -6.416 1.239) 8.309 21.627 ( -4.759 4.224 1.005) 6.442 21.718 ( -3.611 -5.467 -0.145) 6.554 21.912 ( 3.236 -0.692 -1.323) 3.563 21.951 ( 6.237 -4.000 0.271) 7.414 22.441 ( 3.302 5.514 5.639) 8.550 22.545 ( -3.333 -2.832 -2.824) 5.207 23.162 ( 4.639 3.810 -0.807) 6.057 23.224 ( -0.968 -0.733 -7.747) 7.841 23.737 ( -1.457 0.579 -0.586) 1.674 23.773 ( -1.528 -3.646 -2.349) 4.598 23.972 ( -1.617 2.249 -1.740) 3.271 24.068 ( 0.945 -6.452 -2.803) 7.097 24.301 ( -2.325 3.906 3.344) 5.643 24.360 ( 0.349 -1.906 3.471) 3.975 24.648 ( -0.370 2.221 3.851) 4.461 24.764 ( 2.221 -7.464 2.767) 8.264 25.023 ( -2.764 3.120 -0.435) 4.191 25.054 ( -3.412 -0.798 -2.078) 4.074 25.578 ( 0.558 0.949 0.541) 1.227 25.617 ( 1.866 -2.942 0.555) 3.528 29.608 ( -2.701 7.565 0.075) 8.033 29.718 ( -0.076 -2.526 -1.535) 2.957 29.879 ( -0.552 4.284 1.836) 4.694 29.975 ( 0.297 -4.340 -0.812) 4.425 30.827 ( 2.405 7.434 1.362) 7.931 30.868 ( 0.531 4.063 -1.553) 4.382 30.936 ( -0.439 -1.620 -0.226) 1.694 30.966 ( 2.014 -4.257 0.338) 4.721 37.385 ( -1.700 2.130 -0.702) 2.814 37.402 ( -0.210 0.574 -0.199) 0.643 37.841 ( 0.169 4.202 -3.778) 5.654 37.871 ( 1.965 1.263 -3.587) 4.280 38.508 ( -2.399 5.336 8.812) 10.577 38.569 ( -3.116 -0.600 8.744) 9.302 39.260 ( 2.105 3.792 0.482) 4.364 39.286 ( 0.652 1.156 0.581) 1.449 39.610 ( 0.808 11.836 -7.250) 13.903 39.733 ( 8.061 2.097 -4.578) 9.504 39.945 ( -5.356 -3.079 -4.877) 7.871 40.006 ( 4.700 -9.541 1.426) 10.731 40.820 ( -10.995 0.975 3.827) 11.683 40.893 ( -11.789 -5.433 1.453) 13.061 41.963 ( 7.724 4.938 0.551) 9.184 42.041 ( 6.823 -2.439 -1.510) 7.401 ======================= Grid point 109 (57/96) ======================= q-point: ( 0.33 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -2.697 2.552 -9.351) 10.061 2.462 ( -3.183 -1.298 -5.010) 6.076 2.647 ( 1.337 1.335 5.682) 5.988 2.697 ( 3.645 -3.039 6.791) 8.285 3.071 ( 3.094 4.386 0.979) 5.456 3.127 ( 3.692 0.011 0.763) 3.770 3.308 ( -4.156 8.604 1.135) 9.623 3.371 ( -1.097 5.086 -0.686) 5.248 3.508 ( -3.675 1.885 -0.102) 4.131 3.559 ( -1.168 -0.024 -0.077) 1.171 3.722 ( -1.924 6.029 0.837) 6.384 3.740 ( -0.066 -1.041 -3.189) 3.356 3.859 ( -0.649 -3.127 -1.031) 3.356 3.882 ( -2.969 -1.532 -0.967) 3.479 4.254 ( 1.951 3.937 6.597) 7.927 4.342 ( 1.391 -3.097 2.932) 4.486 4.666 ( 6.913 1.691 -5.741) 9.144 4.726 ( 6.078 -3.756 -5.128) 8.795 4.822 ( -2.443 12.443 -2.692) 12.963 5.096 ( 1.681 -4.743 0.966) 5.124 5.163 ( 0.640 1.293 3.404) 3.698 5.179 ( 0.605 -4.332 0.589) 4.414 5.590 ( 4.663 15.407 0.693) 16.112 5.654 ( 6.274 11.536 4.108) 13.759 5.774 ( -5.847 8.707 -4.375) 11.364 5.952 ( 1.609 -1.433 4.226) 4.743 6.016 ( -1.003 -7.617 3.396) 8.400 6.179 ( 1.989 -11.168 -0.563) 11.357 6.582 ( -10.902 13.809 -1.089) 17.627 6.814 ( -2.229 -7.234 4.019) 8.571 6.959 ( -5.313 14.536 -5.679) 16.485 7.320 ( 0.489 -14.556 -2.436) 14.767 8.006 ( 10.955 15.028 10.213) 21.216 8.162 ( -10.389 9.658 -7.941) 16.256 8.277 ( 10.714 -3.741 6.653) 13.155 8.373 ( -9.048 -4.183 -10.140) 14.219 8.641 ( 0.658 4.931 -1.403) 5.169 8.880 ( -0.833 -14.867 -2.413) 15.085 9.295 ( 2.199 4.696 0.729) 5.236 9.398 ( 1.472 -4.999 -0.165) 5.214 9.664 ( 0.421 12.530 -0.006) 12.537 9.702 ( 0.799 13.198 0.760) 13.244 10.189 ( -2.920 14.779 -2.769) 15.317 10.229 ( -1.861 18.023 1.893) 18.218 10.457 ( -0.555 -1.238 -2.156) 2.548 10.471 ( 3.089 -1.786 4.225) 5.530 10.564 ( -1.954 -5.227 -1.345) 5.740 10.639 ( -1.529 -2.505 1.157) 3.155 10.726 ( 0.080 15.429 1.306) 15.484 10.880 ( 5.433 13.542 4.270) 15.203 11.226 ( 0.324 -4.739 -1.397) 4.951 11.332 ( 1.225 -5.568 -0.590) 5.732 11.494 ( -3.425 3.225 -0.385) 4.721 11.736 ( -0.873 -4.815 0.671) 4.939 11.816 ( -2.071 -1.864 1.722) 3.276 12.011 ( -0.107 -21.570 -0.541) 21.577 12.734 ( -1.797 8.193 -0.595) 8.408 12.864 ( 0.654 2.375 0.064) 2.464 13.151 ( -1.196 -15.801 0.156) 15.847 13.233 ( -0.234 -19.136 -1.286) 19.180 14.705 ( -2.074 -1.117 -2.122) 3.171 14.851 ( -2.766 -13.109 -2.451) 13.620 15.083 ( 4.328 -2.159 2.145) 5.291 15.126 ( 0.612 -6.614 -0.586) 6.668 15.438 ( 1.449 -2.133 0.536) 2.633 15.465 ( 0.146 -3.789 0.179) 3.796 15.767 ( 0.281 1.250 0.310) 1.318 15.839 ( 1.878 -6.463 2.245) 7.095 16.397 ( -0.423 5.370 -1.107) 5.499 16.524 ( 1.652 -6.726 1.266) 7.041 16.976 ( -1.451 4.033 -1.794) 4.646 17.069 ( -0.054 -4.821 -0.991) 4.922 17.534 ( -0.101 10.583 1.046) 10.635 17.756 ( 5.083 -9.745 3.960) 11.682 18.611 ( -5.142 13.783 -2.717) 14.960 18.933 ( 1.788 -17.453 0.571) 17.554 19.686 ( -2.009 6.883 -1.888) 7.415 19.807 ( -1.197 -4.932 -0.675) 5.120 20.125 ( 1.214 2.404 -0.251) 2.705 20.155 ( 1.000 1.030 -0.104) 1.439 20.553 ( 0.461 2.027 -0.055) 2.080 20.588 ( 0.479 1.599 -0.531) 1.752 20.726 ( 0.015 0.322 1.231) 1.272 20.843 ( -0.355 -8.704 -1.684) 8.872 21.011 ( 0.288 2.323 2.072) 3.126 21.103 ( 1.937 -5.562 2.932) 6.579 21.285 ( -2.325 15.698 -2.688) 16.095 21.543 ( -1.478 -1.056 -0.491) 1.881 21.583 ( -0.947 -2.769 -0.773) 3.027 21.631 ( -2.218 -11.515 -2.015) 11.899 22.002 ( 4.132 2.951 1.793) 5.384 22.088 ( 6.207 -4.902 2.333) 8.246 22.414 ( -4.460 2.978 -3.857) 6.605 22.473 ( -1.323 -2.678 1.308) 3.261 23.262 ( 6.318 5.815 1.450) 8.709 23.362 ( 11.540 0.129 6.668) 13.329 23.615 ( -7.610 2.446 -3.855) 8.875 23.754 ( -1.513 -8.334 0.201) 8.472 23.929 ( -1.002 5.121 -0.771) 5.275 24.050 ( -0.294 -6.026 -1.487) 6.213 24.265 ( -2.102 4.127 -0.326) 4.643 24.361 ( -1.823 -4.293 0.378) 4.679 24.650 ( -1.177 4.242 0.593) 4.442 24.802 ( 0.078 -11.370 -1.553) 11.476 24.995 ( -1.459 2.057 1.459) 2.913 24.998 ( -1.919 1.900 0.981) 2.873 25.579 ( 0.226 1.976 -0.803) 2.145 25.636 ( 0.570 -3.589 -0.825) 3.727 29.566 ( -1.880 8.850 0.726) 9.076 29.699 ( -0.628 -3.646 -1.168) 3.880 29.892 ( 0.156 3.442 1.606) 3.801 29.969 ( -0.122 -3.752 -0.759) 3.830 30.866 ( 0.708 4.797 -1.215) 4.999 30.876 ( 1.621 7.292 0.787) 7.512 30.930 ( 0.064 -1.698 -0.053) 1.700 31.007 ( 1.745 -4.834 -0.012) 5.140 37.355 ( -1.010 3.236 0.182) 3.395 37.396 ( -0.328 -0.699 0.262) 0.815 37.848 ( 2.165 5.554 0.018) 5.961 37.909 ( 3.571 -0.421 -0.282) 3.606 38.467 ( -5.418 4.518 1.218) 7.159 38.510 ( -6.963 0.384 1.604) 7.156 39.377 ( 7.296 5.805 5.232) 10.691 39.434 ( 0.837 1.296 -0.907) 1.789 39.464 ( 3.941 9.349 -1.972) 10.336 39.646 ( -6.577 -4.716 -11.965) 14.445 39.983 ( 7.601 9.103 3.155) 12.272 40.193 ( 9.247 -10.401 4.196) 14.536 40.591 ( -14.580 -0.096 -0.779) 14.601 40.661 ( -13.184 -5.648 0.726) 14.361 42.097 ( 5.725 2.621 0.181) 6.299 42.149 ( 5.253 -1.982 -1.131) 5.728 ======================= Grid point 110 (58/96) ======================= q-point: (-0.50 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -0.057 0.933 -8.939) 8.988 2.359 ( -1.283 -2.982 -8.123) 8.748 2.739 ( 2.989 3.949 8.947) 10.227 2.833 ( 2.408 -4.370 10.573) 11.691 3.133 ( 0.183 8.252 0.877) 8.300 3.209 ( -2.668 1.010 0.722) 2.943 3.243 ( 1.283 5.690 2.257) 6.254 3.331 ( 0.234 -4.104 0.708) 4.172 3.487 ( 1.560 8.508 0.559) 8.668 3.572 ( 0.429 1.282 1.281) 1.863 3.668 ( -2.335 4.794 -3.677) 6.477 3.715 ( 0.832 -1.757 -3.386) 3.905 3.821 ( 0.045 -0.625 -4.363) 4.408 3.863 ( 0.916 -1.273 -0.635) 1.692 4.267 ( -4.645 5.114 4.653) 8.329 4.383 ( 0.369 -4.841 3.332) 5.889 4.700 ( 1.609 0.277 -3.734) 4.075 4.735 ( -2.767 1.604 -3.871) 5.021 4.817 ( 1.800 13.328 0.876) 13.477 5.104 ( 3.374 2.793 0.715) 4.438 5.211 ( 2.554 -4.907 1.082) 5.637 5.217 ( -4.698 -10.419 -1.068) 11.479 5.561 ( -3.032 10.820 -4.140) 11.975 5.659 ( -6.204 20.483 -2.720) 21.574 5.751 ( -0.129 -4.737 -2.849) 5.530 5.855 ( 2.198 13.442 -0.554) 13.632 6.014 ( -6.330 -13.227 0.114) 14.665 6.167 ( -0.293 -11.527 -4.131) 12.249 6.629 ( 4.865 8.376 10.830) 14.530 6.751 ( -1.172 -1.008 0.299) 1.574 7.006 ( 7.287 12.929 5.479) 15.820 7.348 ( 4.648 -13.419 3.110) 14.537 7.865 ( -12.231 16.319 -13.179) 24.282 8.081 ( -5.500 -3.050 -9.139) 11.093 8.345 ( 7.251 7.631 7.943) 13.187 8.518 ( 8.143 -7.525 9.152) 14.377 8.642 ( 0.747 7.423 -0.986) 7.525 8.887 ( 1.377 -14.066 -0.514) 14.143 9.262 ( -3.082 5.890 -3.811) 7.663 9.341 ( -3.247 -1.078 -5.706) 6.653 9.731 ( 3.157 11.909 4.880) 13.252 9.761 ( 3.146 9.061 4.856) 10.750 10.168 ( 1.419 19.128 0.644) 19.192 10.266 ( 3.023 17.343 5.015) 18.305 10.395 ( -4.759 -0.864 -4.363) 6.514 10.527 ( -0.510 -5.783 0.632) 5.840 10.546 ( 2.927 -3.390 1.576) 4.748 10.640 ( 0.402 -2.031 1.455) 2.530 10.685 ( -4.031 15.492 -3.265) 16.338 10.859 ( -6.184 8.168 -4.391) 11.146 11.265 ( 1.272 1.018 2.470) 2.958 11.346 ( 1.882 -5.659 -0.314) 5.972 11.499 ( 2.028 1.997 3.733) 4.694 11.737 ( 0.821 -7.783 0.663) 7.854 11.793 ( -1.985 -0.438 1.384) 2.459 12.007 ( 0.218 -22.246 -0.893) 22.265 12.711 ( 0.238 8.060 -0.549) 8.082 12.842 ( -1.777 2.310 -2.843) 4.071 13.121 ( -1.212 -14.999 -1.330) 15.107 13.212 ( -0.104 -18.734 -2.594) 18.913 14.736 ( 4.394 -0.789 3.942) 5.956 14.878 ( 4.511 -12.635 3.878) 13.965 15.066 ( -4.553 -2.290 -4.415) 6.743 15.118 ( -1.080 -7.252 -2.036) 7.609 15.461 ( -0.452 -3.046 0.597) 3.136 15.471 ( 0.925 -3.237 1.012) 3.516 15.765 ( -0.268 0.751 -0.237) 0.832 15.823 ( -3.272 -5.636 -2.010) 6.819 16.427 ( 2.521 4.162 2.478) 5.460 16.531 ( -1.504 -5.721 -0.395) 5.929 17.006 ( 4.036 4.100 3.489) 6.729 17.101 ( 2.417 -4.963 2.516) 6.066 17.523 ( -0.995 10.902 -0.132) 10.948 17.737 ( -6.608 -8.517 -4.593) 11.718 18.619 ( 5.137 11.910 4.342) 13.678 18.924 ( -2.046 -17.433 -2.477) 17.726 19.692 ( 2.880 6.757 1.568) 7.511 19.812 ( 1.196 -5.067 1.167) 5.335 20.077 ( -3.181 5.181 -4.537) 7.585 20.149 ( -0.899 -0.885 -2.543) 2.839 20.586 ( 1.764 2.754 2.411) 4.063 20.615 ( 1.664 2.060 1.597) 3.092 20.720 ( -1.472 1.283 0.340) 1.982 20.811 ( -0.901 -6.789 -3.375) 7.635 20.975 ( -3.392 0.167 -3.032) 4.553 21.034 ( -4.191 -2.948 -5.028) 7.179 21.342 ( 3.870 9.097 4.578) 10.895 21.541 ( -1.112 -0.470 -0.237) 1.230 21.545 ( 1.646 -1.286 -0.773) 2.227 21.599 ( -0.413 -12.665 -3.354) 13.108 22.046 ( -0.486 2.935 1.387) 3.282 22.128 ( -2.415 -4.804 -0.848) 5.444 22.429 ( 5.570 3.142 3.622) 7.350 22.482 ( -0.154 -2.085 2.646) 3.373 23.341 ( -0.317 6.923 2.202) 7.272 23.435 ( -8.412 3.703 -2.081) 9.424 23.624 ( 9.599 0.255 7.296) 12.060 23.767 ( 2.187 -9.472 3.002) 10.174 23.945 ( 2.223 4.987 2.521) 6.013 24.054 ( 1.208 -4.152 0.577) 4.363 24.222 ( -1.287 2.056 -3.056) 3.902 24.317 ( -2.008 -6.633 -2.378) 7.327 24.615 ( -2.103 4.194 -1.868) 5.049 24.744 ( -2.117 -8.877 -6.123) 10.989 24.979 ( -0.897 2.286 0.678) 2.548 24.991 ( 0.136 0.796 1.291) 1.523 25.583 ( 0.535 1.602 -0.207) 1.702 25.633 ( 0.027 -3.249 -1.236) 3.476 29.560 ( 0.184 8.794 1.625) 8.945 29.684 ( 0.300 -2.535 -1.462) 2.942 29.898 ( -0.942 2.340 1.207) 2.796 29.966 ( 0.591 -3.689 -0.555) 3.777 30.869 ( 0.025 5.664 -0.384) 5.677 30.893 ( 0.152 5.997 -0.048) 6.000 30.938 ( 0.370 -1.592 0.806) 1.822 31.016 ( -0.433 -4.737 -0.970) 4.855 37.359 ( 0.651 3.450 1.416) 3.785 37.398 ( 0.209 -0.307 0.581) 0.690 37.908 ( 2.414 5.373 3.850) 7.037 37.978 ( 2.445 -1.467 2.905) 4.070 38.368 ( -3.854 3.693 -4.128) 6.748 38.391 ( -4.384 1.767 -3.596) 5.939 39.277 ( -3.408 6.922 -6.854) 10.320 39.354 ( -6.781 -1.098 -8.051) 10.583 39.650 ( 9.196 10.309 8.774) 16.365 39.777 ( 12.743 -2.568 9.456) 16.074 40.051 ( -2.589 10.872 -1.124) 11.232 40.290 ( -11.827 -9.767 -2.639) 15.564 40.409 ( 7.282 -1.459 1.059) 7.502 40.505 ( -1.916 -7.568 -0.301) 7.812 42.149 ( -0.266 1.905 -0.165) 1.930 42.192 ( 0.371 -1.763 -1.181) 2.155 ======================= Grid point 111 (59/96) ======================= q-point: (-0.33 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 1.583 -0.314 -5.375) 5.612 2.293 ( 0.872 -2.638 -6.337) 6.920 2.885 ( 1.609 2.741 10.919) 11.372 2.929 ( -1.678 -0.315 7.996) 8.176 3.072 ( -5.297 2.435 -4.947) 7.646 3.088 ( -1.489 1.060 0.482) 1.890 3.327 ( 1.981 6.655 2.494) 7.378 3.412 ( 4.024 -1.419 0.586) 4.307 3.533 ( 1.986 6.025 -2.607) 6.858 3.554 ( -0.210 4.717 -1.584) 4.980 3.622 ( -1.669 3.219 -0.125) 3.628 3.723 ( 5.088 -3.353 -6.007) 8.556 3.815 ( 0.764 2.526 2.043) 3.337 3.914 ( 4.820 -2.272 0.230) 5.334 4.187 ( -7.304 6.936 3.224) 10.576 4.354 ( -8.206 -7.251 3.945) 11.640 4.636 ( 0.636 4.440 -4.882) 6.630 4.699 ( 1.022 -1.292 -5.538) 5.778 4.870 ( -8.617 10.819 -5.023) 14.715 4.908 ( -1.747 7.184 1.626) 7.570 5.236 ( 3.205 -4.237 3.524) 6.375 5.268 ( -4.331 -8.313 0.914) 9.418 5.487 ( -6.140 11.495 -2.163) 13.210 5.615 ( 3.807 2.181 2.438) 5.019 5.730 ( 0.853 4.430 0.449) 4.533 5.867 ( -1.915 -10.281 0.857) 10.493 5.926 ( 3.113 13.165 -2.213) 13.708 6.175 ( 2.965 -8.612 1.624) 9.252 6.739 ( 3.192 -0.987 2.573) 4.218 6.759 ( 1.504 -2.875 -0.698) 3.319 7.320 ( 3.568 16.205 4.074) 17.086 7.360 ( -0.939 13.732 -1.560) 13.852 7.747 ( 10.910 -4.763 5.579) 13.146 7.826 ( -6.544 -8.696 -10.992) 15.468 8.523 ( 2.321 8.705 4.496) 10.069 8.572 ( -7.206 9.703 -5.547) 13.298 8.715 ( 2.901 -7.870 5.283) 9.912 8.805 ( -5.760 -10.836 -6.683) 13.973 9.196 ( -0.490 6.454 0.053) 6.473 9.248 ( -1.688 0.882 -2.936) 3.500 9.805 ( 0.617 11.437 3.200) 11.893 9.823 ( -1.082 10.754 0.686) 10.830 10.262 ( 2.479 7.836 0.890) 8.267 10.285 ( 1.651 9.433 -1.230) 9.655 10.428 ( 5.536 15.842 7.851) 18.527 10.455 ( -1.884 2.939 -1.714) 3.889 10.566 ( -2.838 6.662 -3.546) 8.063 10.640 ( 3.038 1.086 -0.380) 3.248 10.715 ( 4.372 -3.242 5.213) 7.537 10.729 ( -2.551 5.604 -2.147) 6.521 11.241 ( -4.496 -7.277 -0.223) 8.557 11.336 ( -1.851 -8.581 -0.084) 8.779 11.634 ( 4.473 3.730 3.346) 6.717 11.715 ( 1.593 4.110 -2.708) 5.173 11.830 ( 1.191 -10.467 4.809) 11.580 12.011 ( 1.955 -15.992 -1.556) 16.186 12.739 ( 1.720 2.296 0.822) 2.984 12.771 ( -1.794 2.445 -3.257) 4.450 13.097 ( -0.481 -13.148 -0.495) 13.166 13.190 ( 0.166 -18.018 -2.872) 18.246 14.863 ( -5.782 1.112 -2.967) 6.594 14.887 ( 2.998 -0.046 3.860) 4.888 15.020 ( -0.522 -10.453 -0.579) 10.482 15.022 ( -2.704 -11.441 -2.580) 12.036 15.458 ( -0.976 -3.431 0.491) 3.601 15.478 ( -0.013 -5.191 0.926) 5.273 15.768 ( 0.117 0.004 -0.334) 0.354 15.796 ( 3.456 -3.121 1.863) 5.016 16.470 ( -3.536 0.595 -1.502) 3.888 16.503 ( 2.789 -2.682 2.751) 4.747 17.090 ( -4.976 2.948 -2.231) 6.200 17.117 ( 1.725 0.081 2.839) 3.323 17.565 ( -2.075 2.944 -1.735) 3.998 17.601 ( 5.797 -0.358 4.062) 7.088 18.779 ( 5.928 -1.835 5.115) 8.042 18.817 ( -5.423 -5.393 -5.911) 9.666 19.768 ( 0.371 1.379 1.113) 1.811 19.794 ( -2.561 -0.659 -2.851) 3.888 20.023 ( 1.425 4.996 0.440) 5.214 20.096 ( -0.907 -1.007 -3.569) 3.817 20.599 ( -2.850 5.423 0.181) 6.129 20.660 ( 0.731 1.634 3.344) 3.793 20.714 ( -1.731 -4.482 0.030) 4.804 20.742 ( -0.416 -3.246 -3.486) 4.781 20.923 ( 1.310 -0.009 -0.728) 1.499 20.989 ( 3.165 -4.887 -0.889) 5.890 21.421 ( 1.050 3.637 2.804) 4.711 21.506 ( -2.525 -1.725 -4.224) 5.215 21.539 ( 0.503 -0.136 -0.543) 0.752 21.618 ( 3.673 -6.021 -1.530) 7.217 22.042 ( -1.413 -0.457 3.351) 3.666 22.066 ( -3.406 -2.599 0.690) 4.340 22.426 ( -6.862 6.268 -1.747) 9.456 22.545 ( 1.771 -4.357 1.059) 4.821 23.314 ( -2.443 8.113 3.496) 9.166 23.398 ( 3.229 1.812 5.379) 6.530 23.753 ( -0.795 2.351 0.626) 2.560 23.838 ( 3.504 -4.416 1.837) 5.929 24.019 ( -0.379 -1.825 3.999) 4.412 24.083 ( 1.305 -2.263 -0.599) 2.680 24.188 ( 1.018 -1.153 -2.185) 2.672 24.243 ( -1.986 -7.607 -4.850) 9.238 24.565 ( -0.986 4.742 -1.304) 5.016 24.673 ( -0.129 -5.117 -3.955) 6.468 25.004 ( 3.002 2.803 1.799) 4.484 25.034 ( 3.580 -0.661 1.006) 3.777 25.577 ( -1.250 0.615 -0.473) 1.472 25.609 ( -1.383 -2.528 -1.769) 3.381 29.593 ( 1.601 7.510 1.789) 7.884 29.689 ( 1.751 -0.661 -1.897) 2.665 29.885 ( -1.299 2.964 1.338) 3.501 29.977 ( 0.774 -4.797 -0.434) 4.879 30.844 ( -2.374 6.844 -0.452) 7.258 30.892 ( -0.189 3.630 -0.404) 3.657 30.951 ( -0.055 -1.437 1.141) 1.836 30.985 ( -1.514 -3.857 -0.941) 4.249 37.388 ( 0.878 2.887 0.949) 3.163 37.409 ( 0.578 0.913 0.403) 1.153 37.985 ( 1.161 3.856 5.304) 6.660 38.026 ( -0.637 -0.164 3.206) 3.273 38.286 ( -1.012 3.298 -4.014) 5.293 38.302 ( -0.558 1.725 -5.231) 5.536 39.227 ( -0.255 3.458 -2.428) 4.233 39.244 ( 2.118 1.795 -0.678) 2.858 39.780 ( -7.879 12.085 -2.931) 14.722 39.905 ( 4.675 7.446 4.433) 9.846 39.982 ( -11.804 -4.022 -4.477) 13.250 40.174 ( 6.469 -10.804 10.274) 16.252 40.515 ( 7.223 1.887 -3.821) 8.386 40.632 ( 12.018 -7.207 0.154) 14.014 42.088 ( -5.969 3.041 -0.060) 6.699 42.146 ( -4.146 -2.190 -1.163) 4.831 ======================= Grid point 112 (60/96) ======================= q-point: (-0.17 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 2.827 -0.089 -1.652) 3.276 2.303 ( 3.069 -1.578 -0.317) 3.465 2.877 ( -4.545 1.478 -0.289) 4.788 2.895 ( -2.964 -0.204 -1.150) 3.186 3.033 ( -0.198 6.551 3.255) 7.318 3.123 ( 0.756 -2.835 1.289) 3.205 3.337 ( -2.403 7.691 1.170) 8.142 3.439 ( 1.041 -1.529 -2.815) 3.368 3.513 ( 2.061 0.830 -6.660) 7.020 3.534 ( 0.257 -0.326 -0.075) 0.422 3.651 ( 1.171 8.836 4.387) 9.935 3.792 ( 5.634 4.416 -2.514) 7.587 3.854 ( -0.913 -2.337 6.004) 6.508 3.995 ( 1.410 -7.281 1.189) 7.511 4.088 ( -5.105 8.442 2.824) 10.262 4.216 ( -7.401 -1.661 1.592) 7.751 4.557 ( -5.961 9.637 -5.323) 12.520 4.676 ( 5.585 -4.331 -7.292) 10.155 4.772 ( 3.025 4.595 -2.982) 6.258 4.960 ( -0.315 -7.789 3.599) 8.586 5.149 ( -5.090 1.318 -0.266) 5.265 5.257 ( -3.740 -5.307 2.947) 7.130 5.430 ( 2.247 15.252 3.632) 15.839 5.586 ( -4.899 4.017 0.496) 6.354 5.843 ( 0.478 15.073 2.797) 15.338 5.958 ( 3.426 -2.676 -0.098) 4.348 5.974 ( 6.204 -0.639 4.019) 7.420 6.239 ( 1.645 -9.714 0.466) 9.863 6.749 ( 0.203 10.413 1.808) 10.571 6.906 ( 6.958 -5.376 3.814) 9.584 7.025 ( -6.503 15.132 -9.126) 18.829 7.389 ( -6.337 -15.351 -7.184) 18.095 7.935 ( 15.963 12.469 8.933) 22.138 8.070 ( 10.254 0.244 5.119) 11.463 8.346 ( -7.921 5.944 -5.345) 11.253 8.488 ( -7.653 7.773 -3.348) 11.411 8.505 ( -8.580 -4.794 -6.140) 11.589 8.798 ( -1.315 -16.146 0.418) 16.205 9.230 ( 1.361 2.644 1.479) 3.321 9.261 ( 2.799 -0.086 1.956) 3.416 9.767 ( -2.518 13.172 -2.550) 13.650 9.790 ( -2.472 14.088 -0.740) 14.322 10.254 ( -1.621 17.348 -3.143) 17.704 10.305 ( 2.065 18.395 0.845) 18.530 10.463 ( -1.842 -3.056 -1.601) 3.911 10.509 ( 4.380 6.141 1.674) 7.727 10.585 ( 0.876 10.155 2.946) 10.610 10.664 ( 1.289 -6.301 -0.497) 6.451 10.749 ( 2.736 -1.204 0.010) 2.989 10.865 ( 4.258 1.757 4.919) 6.739 11.165 ( -3.193 -3.499 0.843) 4.811 11.259 ( -3.738 -0.181 -2.252) 4.367 11.647 ( 0.036 -1.444 -1.502) 2.084 11.795 ( 3.372 -4.499 -0.583) 5.652 11.872 ( 0.555 -9.541 2.530) 9.886 12.049 ( 2.307 -13.156 -1.028) 13.396 12.721 ( 0.127 8.576 -0.551) 8.594 12.797 ( 1.396 -1.263 1.479) 2.394 13.096 ( 0.035 -13.178 1.207) 13.233 13.182 ( 1.078 -17.846 -0.733) 17.894 14.708 ( -4.094 -1.601 -2.517) 5.066 14.858 ( -4.184 -13.819 -3.071) 14.761 15.004 ( 2.070 -3.088 3.383) 5.027 15.036 ( -1.437 -5.572 0.277) 5.761 15.459 ( 0.253 -1.890 0.481) 1.966 15.477 ( -0.586 -2.844 -0.273) 2.916 15.794 ( 1.231 2.044 0.232) 2.398 15.878 ( 2.201 -6.571 1.169) 7.028 16.412 ( -1.522 6.489 -0.780) 6.710 16.555 ( 0.855 -7.344 0.658) 7.423 16.976 ( -3.189 4.864 -2.035) 6.162 17.072 ( -3.226 -4.408 -1.895) 5.782 17.579 ( 2.003 9.518 0.857) 9.764 17.783 ( 4.808 -9.067 3.761) 10.930 18.665 ( -3.208 9.736 -4.331) 11.128 18.894 ( 2.176 -12.497 2.214) 12.876 19.659 ( -2.731 8.511 -2.515) 9.286 19.801 ( -0.403 -7.403 0.471) 7.429 20.072 ( 1.055 0.917 1.724) 2.220 20.082 ( 0.683 0.557 -0.824) 1.207 20.560 ( -0.416 2.832 -0.082) 2.863 20.613 ( -3.071 -2.673 -2.837) 4.962 20.682 ( -0.552 0.409 1.983) 2.098 20.755 ( -1.241 -6.604 2.090) 7.038 21.021 ( 5.788 1.700 1.777) 6.289 21.094 ( 6.362 -4.827 1.579) 8.141 21.381 ( -3.541 5.610 -3.930) 7.711 21.461 ( -1.407 -1.452 1.480) 2.506 21.569 ( 3.725 3.361 -0.317) 5.028 21.659 ( 2.196 -4.633 -1.495) 5.341 22.006 ( -4.019 0.385 0.988) 4.156 22.059 ( -1.673 -4.718 2.711) 5.692 22.263 ( -6.065 10.109 -1.141) 11.844 22.516 ( -2.087 -13.002 -1.108) 13.215 23.337 ( -0.785 13.031 0.661) 13.071 23.532 ( 3.987 -2.202 4.267) 6.241 23.658 ( -4.659 12.236 -5.981) 14.394 23.872 ( 0.547 -7.677 -2.712) 8.161 24.001 ( -0.870 -4.841 0.533) 4.947 24.034 ( -1.867 -6.243 -3.777) 7.532 24.216 ( 1.642 -1.631 1.260) 2.635 24.252 ( 2.036 -6.878 3.372) 7.926 24.575 ( 0.928 6.185 2.439) 6.713 24.671 ( 1.366 -2.493 -0.083) 2.844 25.096 ( 4.003 1.402 1.391) 4.464 25.111 ( 3.255 -0.158 -0.148) 3.262 25.536 ( -1.733 0.502 -0.696) 1.933 25.568 ( -1.547 -2.587 -0.339) 3.033 29.632 ( 1.177 6.594 0.862) 6.753 29.712 ( 2.164 -0.195 -1.901) 2.887 29.880 ( -0.668 3.727 1.747) 4.170 29.981 ( 0.048 -5.011 -0.606) 5.048 30.796 ( -2.146 6.753 0.039) 7.086 30.876 ( -0.818 1.526 -0.642) 1.846 30.944 ( -0.698 -1.479 -0.233) 1.652 30.968 ( -0.529 -1.555 0.463) 1.707 37.398 ( 0.400 3.034 -0.491) 3.099 37.423 ( 0.205 0.651 0.329) 0.758 37.971 ( -2.526 4.207 -4.105) 6.398 38.005 ( -2.084 1.065 -3.685) 4.365 38.285 ( 2.186 4.689 5.097) 7.263 38.346 ( 3.107 -1.369 7.367) 8.111 39.276 ( 6.336 6.878 1.094) 9.415 39.352 ( 6.297 -0.800 3.575) 7.285 39.543 ( -10.803 8.740 -5.809) 15.061 39.716 ( -9.821 -7.517 -7.506) 14.467 40.001 ( 0.806 10.860 1.489) 10.991 40.270 ( -1.900 -14.627 -0.232) 14.752 40.701 ( 12.115 6.902 2.678) 14.198 40.855 ( 11.310 -8.104 0.788) 13.936 41.957 ( -7.672 5.441 0.391) 9.414 42.043 ( -5.216 -2.729 -1.404) 6.052 ======================= Grid point 143 (61/96) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -9.149 0.000 30.805) 32.135 1.533 ( 21.983 0.000 23.094) 31.884 1.849 ( 22.382 0.000 26.758) 34.885 1.907 ( -2.297 0.000 -10.304) 10.557 2.098 ( -5.745 0.000 -8.543) 10.295 2.143 ( -6.912 0.000 8.941) 11.301 2.378 ( -8.406 0.000 -26.520) 27.820 2.520 ( 5.498 0.000 -14.406) 15.420 2.956 ( 3.513 0.000 0.700) 3.582 2.984 ( -2.662 0.000 -1.785) 3.205 3.275 ( 3.469 0.000 4.912) 6.014 3.316 ( -5.097 0.000 1.565) 5.332 3.375 ( -6.812 0.000 8.381) 10.801 3.516 ( 1.532 0.000 -2.077) 2.581 3.636 ( -5.351 0.000 3.431) 6.356 3.685 ( 2.028 0.000 1.017) 2.269 3.879 ( 11.917 0.000 3.922) 12.546 4.014 ( -5.313 0.000 -7.149) 8.907 4.136 ( 5.826 0.000 2.264) 6.250 4.240 ( -11.774 0.000 -9.796) 15.316 4.623 ( -5.471 0.000 2.378) 5.966 4.701 ( 6.067 0.000 -4.526) 7.569 4.853 ( 7.259 0.000 10.639) 12.879 5.077 ( -10.824 0.000 -9.324) 14.286 5.385 ( 3.679 0.000 7.365) 8.233 5.553 ( -11.174 0.000 -13.881) 17.819 5.708 ( 17.043 0.000 12.936) 21.396 5.903 ( -5.514 0.000 -6.746) 8.713 6.113 ( -5.157 0.000 -7.649) 9.225 6.122 ( -14.362 0.000 -6.813) 15.896 6.832 ( 25.896 0.000 20.473) 33.011 6.948 ( 10.129 0.000 6.886) 12.248 6.984 ( -3.124 0.000 -0.373) 3.146 7.226 ( -14.274 0.000 -12.413) 18.917 7.631 ( 5.577 0.000 1.934) 5.903 7.836 ( -17.823 0.000 -14.663) 23.079 8.708 ( 4.927 0.000 6.523) 8.175 8.719 ( 1.107 0.000 4.244) 4.386 9.051 ( 1.022 0.000 2.787) 2.968 9.183 ( -6.290 0.000 -10.775) 12.477 9.387 ( 7.229 0.000 0.801) 7.273 9.392 ( -4.024 0.000 1.073) 4.165 9.560 ( 0.257 0.000 5.208) 5.215 9.643 ( 4.758 0.000 -2.818) 5.530 9.953 ( 8.947 0.000 12.697) 15.533 10.229 ( -14.950 0.000 -15.782) 21.739 10.302 ( -0.904 0.000 3.801) 3.907 10.372 ( 1.584 0.000 -3.207) 3.576 11.375 ( 8.795 0.000 5.967) 10.628 11.478 ( -8.544 0.000 -5.293) 10.051 11.565 ( 6.456 0.000 9.713) 11.663 11.741 ( -6.794 0.000 -8.416) 10.816 11.907 ( -5.920 0.000 1.347) 6.071 11.948 ( 2.781 0.000 -2.508) 3.746 12.334 ( 12.581 0.000 8.923) 15.424 12.424 ( -2.631 0.000 0.239) 2.642 13.221 ( -4.838 0.000 -1.288) 5.007 13.241 ( 0.796 0.000 -3.065) 3.167 14.378 ( 6.841 0.000 2.862) 7.416 14.452 ( -9.389 0.000 -5.019) 10.646 15.186 ( 7.137 0.000 6.041) 9.350 15.300 ( -6.475 0.000 -6.001) 8.829 15.894 ( 0.266 0.000 3.742) 3.752 15.955 ( 1.219 0.000 -2.757) 3.014 16.387 ( 6.414 0.000 2.452) 6.867 16.424 ( -4.628 0.000 -1.407) 4.837 16.556 ( 1.765 0.000 2.769) 3.284 16.615 ( -1.144 0.000 -3.413) 3.600 16.941 ( -0.617 0.000 1.272) 1.414 16.976 ( 1.099 0.000 -2.134) 2.401 17.641 ( -0.827 0.000 4.180) 4.261 17.698 ( 1.771 0.000 -1.922) 2.613 17.801 ( 1.336 0.000 1.680) 2.146 17.844 ( -1.793 0.000 -2.710) 3.250 18.396 ( 3.246 0.000 1.733) 3.679 18.433 ( -1.886 0.000 -2.439) 3.083 18.842 ( 18.204 0.000 10.205) 20.869 19.056 ( -17.535 0.000 -11.651) 21.053 19.282 ( -2.253 0.000 2.419) 3.305 19.339 ( 1.342 0.000 -3.273) 3.537 20.420 ( -0.229 0.000 0.378) 0.441 20.425 ( 0.195 0.000 -0.079) 0.210 21.075 ( 9.729 0.000 4.020) 10.527 21.157 ( -11.611 0.000 -4.465) 12.439 21.238 ( -1.554 0.000 2.699) 3.114 21.279 ( 4.330 0.000 -1.611) 4.620 21.738 ( 4.325 0.000 0.041) 4.325 21.749 ( -5.055 0.000 -1.397) 5.245 22.146 ( -8.898 0.000 4.852) 10.135 22.193 ( 7.016 0.000 -0.180) 7.019 22.678 ( 17.414 0.000 1.696) 17.496 22.735 ( -11.740 0.000 -4.322) 12.510 23.130 ( 3.337 0.000 3.927) 5.153 23.159 ( 0.923 0.000 0.839) 1.247 23.319 ( 3.018 0.000 3.259) 4.442 23.400 ( -3.955 0.000 -5.017) 6.389 23.796 ( 5.976 0.000 -2.157) 6.353 23.802 ( -7.774 0.000 -2.206) 8.081 23.971 ( -0.331 0.000 0.590) 0.676 23.981 ( -0.149 0.000 -0.481) 0.503 24.316 ( -2.572 0.000 3.700) 4.506 24.400 ( 0.092 0.000 -5.184) 5.185 24.625 ( 15.806 0.000 6.678) 17.159 24.654 ( 2.967 0.000 2.681) 3.999 24.897 ( 4.264 0.000 -0.205) 4.269 24.911 ( -20.697 0.000 -2.389) 20.835 25.392 ( 2.033 0.000 7.025) 7.313 25.551 ( -2.775 0.000 -9.381) 9.782 29.122 ( -3.146 0.000 0.367) 3.167 29.142 ( 1.819 0.000 -1.870) 2.609 29.760 ( 6.877 0.000 2.026) 7.169 29.785 ( -8.022 0.000 -0.350) 8.030 30.502 ( -6.678 0.000 0.207) 6.681 30.520 ( 2.857 0.000 -1.586) 3.268 30.938 ( -0.234 0.000 3.011) 3.020 30.990 ( -0.121 0.000 -2.403) 2.406 36.798 ( 0.780 0.000 4.034) 4.109 36.878 ( -0.346 0.000 -4.376) 4.390 37.189 ( 0.789 0.000 5.602) 5.657 37.297 ( -0.946 0.000 -5.367) 5.450 37.762 ( -14.850 0.000 1.337) 14.910 37.784 ( 9.634 0.000 -0.852) 9.671 38.050 ( 1.762 0.000 1.658) 2.419 38.069 ( -2.289 0.000 -0.359) 2.317 39.224 ( 3.846 0.000 -0.445) 3.871 39.232 ( -3.775 0.000 -1.333) 4.003 40.519 ( -24.592 0.000 2.291) 24.698 40.538 ( 50.267 0.000 -0.054) 50.267 41.099 ( -15.847 0.000 10.454) 18.985 41.330 ( 23.395 0.000 -13.363) 26.943 41.959 ( -3.422 0.000 0.938) 3.548 41.961 ( 2.999 0.000 0.461) 3.034 ======================= Grid point 144 (62/96) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -10.951 0.000 16.763) 20.023 1.478 ( -6.406 0.000 -32.007) 32.641 1.958 ( -1.778 0.000 -11.821) 11.954 1.990 ( -3.883 0.000 -12.148) 12.753 2.064 ( -2.133 0.000 -9.683) 9.915 2.171 ( 14.105 0.000 30.737) 33.818 2.598 ( 17.012 0.000 9.271) 19.374 2.674 ( 20.936 0.000 -16.820) 26.856 2.856 ( -9.206 0.000 -3.483) 9.843 2.974 ( 1.020 0.000 3.767) 3.903 3.215 ( -3.711 0.000 3.674) 5.223 3.329 ( -0.718 0.000 0.579) 0.923 3.350 ( -3.625 0.000 9.652) 10.310 3.432 ( -9.606 0.000 2.404) 9.902 3.671 ( 3.453 0.000 -0.927) 3.575 3.721 ( 2.724 0.000 0.558) 2.780 3.803 ( -6.955 0.000 -13.828) 15.478 4.043 ( 0.290 0.000 1.739) 1.763 4.075 ( 4.153 0.000 5.565) 6.944 4.234 ( -0.330 0.000 7.087) 7.094 4.598 ( -0.089 0.000 4.829) 4.830 4.814 ( -3.542 0.000 -12.043) 12.553 4.895 ( 12.441 0.000 2.214) 12.636 5.167 ( 11.535 0.000 12.027) 16.665 5.440 ( 3.779 0.000 -2.752) 4.675 5.466 ( -12.663 0.000 -5.383) 13.759 5.681 ( 8.138 0.000 6.461) 10.391 5.785 ( -6.248 0.000 1.285) 6.379 6.229 ( 4.065 0.000 9.420) 10.259 6.254 ( 15.944 0.000 12.522) 20.274 6.561 ( -28.853 0.000 -24.084) 37.584 6.856 ( -7.382 0.000 -7.978) 10.869 6.987 ( -6.748 0.000 -5.167) 8.499 7.255 ( -2.339 0.000 -0.574) 2.408 7.621 ( 10.835 0.000 11.626) 15.893 7.970 ( 14.477 0.000 13.862) 20.043 8.619 ( -11.631 0.000 -5.608) 12.913 8.684 ( -7.426 0.000 -4.129) 8.497 9.067 ( -0.408 0.000 -0.665) 0.780 9.187 ( 4.016 0.000 7.851) 8.819 9.270 ( -6.549 0.000 -2.453) 6.994 9.468 ( 5.886 0.000 0.744) 5.933 9.543 ( -4.550 0.000 -0.559) 4.584 9.633 ( 0.474 0.000 -7.529) 7.544 9.948 ( -4.020 0.000 -7.400) 8.422 10.266 ( -2.007 0.000 5.760) 6.099 10.351 ( 11.754 0.000 12.688) 17.296 10.375 ( 3.095 0.000 -3.941) 5.011 11.255 ( -10.816 0.000 -5.164) 11.986 11.523 ( -8.682 0.000 -7.235) 11.302 11.555 ( 5.931 0.000 4.503) 7.447 11.718 ( -0.774 0.000 5.655) 5.708 11.867 ( -2.135 0.000 3.717) 4.287 12.065 ( 12.515 0.000 3.644) 13.034 12.272 ( -4.322 0.000 -8.738) 9.749 12.478 ( -1.198 0.000 -6.351) 6.463 13.162 ( -3.880 0.000 3.486) 5.216 13.276 ( 3.458 0.000 2.542) 4.292 14.291 ( -4.916 0.000 -1.232) 5.068 14.560 ( 8.248 0.000 5.120) 9.708 15.135 ( -5.451 0.000 -5.646) 7.848 15.358 ( 6.193 0.000 4.440) 7.621 15.917 ( 0.358 0.000 2.595) 2.620 15.930 ( -0.981 0.000 -4.517) 4.622 16.256 ( -10.867 0.000 -4.454) 11.744 16.460 ( 1.018 0.000 0.847) 1.325 16.545 ( -2.455 0.000 -2.551) 3.540 16.599 ( 0.624 0.000 1.777) 1.883 16.978 ( 0.561 0.000 -1.537) 1.636 16.990 ( 4.416 0.000 2.158) 4.915 17.700 ( 3.672 0.000 2.558) 4.475 17.764 ( 5.970 0.000 -4.870) 7.705 17.793 ( -1.261 0.000 -1.500) 1.959 17.857 ( 2.743 0.000 2.766) 3.895 18.362 ( -3.250 0.000 -2.695) 4.222 18.443 ( 0.998 0.000 0.639) 1.185 18.637 ( -15.695 0.000 -10.037) 18.630 19.232 ( 14.222 0.000 9.960) 17.363 19.272 ( -1.590 0.000 3.901) 4.212 19.354 ( 2.520 0.000 -3.019) 3.932 20.412 ( -0.854 0.000 0.334) 0.917 20.419 ( -0.743 0.000 -0.234) 0.779 20.904 ( -11.984 0.000 -2.575) 12.257 21.158 ( -3.889 0.000 1.516) 4.174 21.284 ( -2.093 0.000 -2.646) 3.374 21.319 ( 7.621 0.000 3.219) 8.273 21.684 ( -0.535 0.000 -0.859) 1.012 21.844 ( 7.331 0.000 1.553) 7.493 22.044 ( -5.453 0.000 5.028) 7.417 22.309 ( 4.870 0.000 -2.493) 5.471 22.385 ( -19.090 0.000 -9.563) 21.351 22.881 ( 6.270 0.000 1.065) 6.360 23.075 ( -8.582 0.000 -4.423) 9.655 23.154 ( -0.677 0.000 -1.080) 1.274 23.315 ( -0.468 0.000 -2.041) 2.094 23.398 ( -0.743 0.000 0.568) 0.935 23.651 ( -3.303 0.000 2.950) 4.429 23.776 ( -6.293 0.000 5.076) 8.085 23.943 ( -3.394 0.000 1.217) 3.606 23.969 ( -1.650 0.000 -0.676) 1.783 24.203 ( -8.048 0.000 4.374) 9.160 24.338 ( -1.052 0.000 -3.574) 3.726 24.496 ( -8.691 0.000 -6.108) 10.623 24.758 ( 6.468 0.000 -12.917) 14.446 25.025 ( 15.107 0.000 6.171) 16.319 25.307 ( 18.629 0.000 6.322) 19.673 25.486 ( 7.526 0.000 -3.646) 8.362 25.513 ( 3.726 0.000 8.699) 9.463 29.117 ( 0.811 0.000 2.431) 2.563 29.214 ( 5.741 0.000 -1.714) 5.991 29.676 ( -3.918 0.000 -0.185) 3.922 29.924 ( 8.993 0.000 2.324) 9.288 30.433 ( -3.240 0.000 4.841) 5.825 30.589 ( 4.214 0.000 1.516) 4.478 30.939 ( -3.587 0.000 -2.590) 4.424 30.957 ( 0.133 0.000 2.237) 2.241 36.833 ( -0.406 0.000 -5.034) 5.051 36.841 ( 0.192 0.000 3.789) 3.794 37.234 ( -0.628 0.000 -5.163) 5.201 37.245 ( -0.528 0.000 4.735) 4.764 37.548 ( -10.918 0.000 6.254) 12.582 37.894 ( 1.242 0.000 0.046) 1.243 38.057 ( -0.931 0.000 -0.511) 1.062 38.116 ( 3.036 0.000 0.616) 3.098 39.141 ( -5.670 0.000 -1.128) 5.781 39.305 ( 5.230 0.000 -0.456) 5.249 39.814 ( -31.350 0.000 -17.303) 35.808 40.864 ( 1.697 0.000 -5.786) 6.030 40.925 ( -9.403 0.000 11.069) 14.524 41.307 ( -3.619 0.000 -20.445) 20.763 42.192 ( 15.097 0.000 1.250) 15.149 42.328 ( 29.884 0.000 -9.750) 31.434 ======================= Grid point 145 (63/96) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 11.648 0.000 1.910) 11.804 1.462 ( 24.553 0.000 -16.851) 29.779 1.800 ( -5.900 0.000 -2.316) 6.339 1.818 ( -3.686 0.000 -9.739) 10.414 2.090 ( 4.921 0.000 3.058) 5.794 2.419 ( -9.381 0.000 1.540) 9.507 2.686 ( -2.558 0.000 8.529) 8.905 2.705 ( -0.895 0.000 6.822) 6.881 2.929 ( 14.477 0.000 -4.361) 15.119 3.042 ( 1.069 0.000 0.025) 1.069 3.186 ( -9.223 0.000 3.986) 10.047 3.208 ( -6.183 0.000 11.787) 13.310 3.379 ( 2.760 0.000 -5.228) 5.911 3.416 ( 3.101 0.000 -2.697) 4.110 3.647 ( 7.019 0.000 -18.161) 19.470 3.695 ( 2.313 0.000 -5.374) 5.850 3.785 ( -0.397 0.000 1.037) 1.110 4.093 ( -3.399 0.000 -0.891) 3.514 4.116 ( 1.740 0.000 -0.113) 1.743 4.347 ( 6.058 0.000 6.933) 9.207 4.658 ( -10.718 0.000 -3.342) 11.227 4.721 ( 4.911 0.000 12.544) 13.471 5.158 ( 11.815 0.000 0.112) 11.816 5.269 ( -0.177 0.000 -0.050) 0.184 5.352 ( 0.986 0.000 4.378) 4.487 5.353 ( -3.334 0.000 -12.764) 13.193 5.743 ( -8.657 0.000 -6.167) 10.630 5.761 ( -11.151 0.000 -6.572) 12.944 6.202 ( 6.146 0.000 6.418) 8.886 6.214 ( -16.460 0.000 8.996) 18.758 6.345 ( -5.718 0.000 1.451) 5.899 6.871 ( 9.180 0.000 5.437) 10.670 6.925 ( 16.829 0.000 6.785) 18.145 7.236 ( 0.077 0.000 -0.692) 0.696 7.838 ( -2.945 0.000 0.603) 3.006 8.190 ( -4.147 0.000 -3.100) 5.177 8.423 ( -1.544 0.000 2.783) 3.183 8.466 ( -4.721 0.000 -2.512) 5.347 9.092 ( 0.571 0.000 6.600) 6.624 9.176 ( -5.521 0.000 0.715) 5.567 9.236 ( 3.205 0.000 1.203) 3.423 9.419 ( -4.347 0.000 -4.624) 6.346 9.560 ( 0.106 0.000 -8.395) 8.395 9.760 ( 15.639 0.000 7.797) 17.475 9.918 ( 2.733 0.000 -0.989) 2.906 10.162 ( -9.694 0.000 2.813) 10.094 10.429 ( 5.179 0.000 -3.122) 6.047 10.500 ( -8.738 0.000 -2.415) 9.066 11.117 ( 4.707 0.000 1.317) 4.888 11.346 ( -6.009 0.000 -1.330) 6.154 11.602 ( -6.031 0.000 -3.079) 6.771 11.671 ( -2.332 0.000 3.236) 3.989 11.862 ( -2.066 0.000 3.216) 3.823 12.207 ( -9.008 0.000 -14.361) 16.952 12.322 ( 12.685 0.000 3.539) 13.169 12.436 ( 14.040 0.000 5.972) 15.258 13.103 ( -5.798 0.000 3.138) 6.593 13.300 ( -3.433 0.000 -2.268) 4.115 14.263 ( 0.761 0.000 3.332) 3.418 14.655 ( -2.106 0.000 -1.746) 2.736 15.083 ( 3.640 0.000 1.321) 3.872 15.436 ( -0.449 0.000 -1.059) 1.151 15.882 ( 0.597 0.000 -2.967) 3.026 15.965 ( -0.170 0.000 2.212) 2.219 16.049 ( -3.150 0.000 -2.940) 4.309 16.412 ( -4.583 0.000 -3.812) 5.961 16.523 ( 0.722 0.000 -0.251) 0.765 16.606 ( -0.759 0.000 -0.184) 0.781 16.985 ( 0.370 0.000 0.850) 0.927 17.056 ( 0.330 0.000 -1.212) 1.256 17.761 ( 0.460 0.000 0.253) 0.525 17.765 ( -0.502 0.000 -1.418) 1.504 17.810 ( 3.848 0.000 -4.503) 5.924 17.925 ( 1.189 0.000 1.484) 1.902 18.330 ( 2.640 0.000 2.327) 3.519 18.460 ( 0.138 0.000 1.282) 1.290 18.462 ( 2.209 0.000 1.862) 2.889 19.292 ( -0.593 0.000 6.007) 6.036 19.307 ( -4.022 0.000 -7.423) 8.443 19.471 ( 5.017 0.000 1.444) 5.221 20.391 ( -1.802 0.000 -0.795) 1.970 20.395 ( -1.337 0.000 -0.700) 1.509 20.742 ( -4.240 0.000 3.413) 5.443 21.063 ( -5.351 0.000 -3.182) 6.226 21.222 ( -2.216 0.000 1.286) 2.562 21.417 ( 0.251 0.000 0.433) 0.501 21.700 ( 2.559 0.000 -1.731) 3.090 21.951 ( -8.265 0.000 -10.461) 13.332 22.041 ( -0.367 0.000 6.145) 6.156 22.078 ( 10.081 0.000 1.691) 10.222 22.342 ( 0.901 0.000 -3.270) 3.392 22.845 ( -13.124 0.000 -2.766) 13.412 22.990 ( 5.745 0.000 1.967) 6.072 23.135 ( 0.136 0.000 -0.787) 0.799 23.301 ( 0.337 0.000 -1.331) 1.373 23.371 ( 0.957 0.000 0.013) 0.957 23.654 ( -3.081 0.000 1.150) 3.288 23.740 ( -1.670 0.000 2.858) 3.310 23.873 ( -5.296 0.000 1.074) 5.404 23.883 ( -6.012 0.000 -2.660) 6.574 24.150 ( -2.232 0.000 3.983) 4.566 24.299 ( -0.582 0.000 -4.025) 4.067 24.378 ( 1.170 0.000 -2.033) 2.345 24.715 ( -0.208 0.000 -12.059) 12.061 25.273 ( 7.832 0.000 1.485) 7.972 25.401 ( 2.139 0.000 -2.351) 3.178 25.718 ( 10.825 0.000 11.790) 16.005 25.821 ( 10.705 0.000 11.531) 15.734 29.142 ( -0.726 0.000 1.571) 1.730 29.241 ( 0.153 0.000 -6.070) 6.072 29.674 ( 2.232 0.000 5.066) 5.536 30.081 ( 4.197 0.000 1.137) 4.349 30.447 ( -1.396 0.000 7.184) 7.319 30.646 ( -0.494 0.000 -0.744) 0.894 30.844 ( -2.186 0.000 -1.014) 2.410 30.971 ( 0.351 0.000 -0.383) 0.520 36.782 ( -0.380 0.000 -5.456) 5.469 36.839 ( -3.667 0.000 0.690) 3.732 37.191 ( -5.820 0.000 -2.446) 6.313 37.193 ( 0.250 0.000 -4.545) 4.551 37.470 ( -5.060 0.000 8.844) 10.189 37.859 ( -6.767 0.000 -11.903) 13.693 37.931 ( 0.414 0.000 2.686) 2.718 38.144 ( 0.389 0.000 -1.728) 1.771 39.100 ( 2.835 0.000 4.177) 5.048 39.380 ( 3.872 0.000 -3.268) 5.067 39.575 ( 8.034 0.000 1.172) 8.119 40.629 ( -18.382 0.000 -7.092) 19.702 40.886 ( -6.333 0.000 11.573) 13.193 41.188 ( 10.233 0.000 -24.471) 26.524 42.432 ( 9.362 0.000 1.903) 9.553 42.606 ( 10.287 0.000 -8.001) 13.032 ======================= Grid point 146 (64/96) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 2.854 0.000 -3.701) 4.673 1.463 ( -11.893 0.000 -5.971) 13.307 1.820 ( 10.209 0.000 7.299) 12.550 2.019 ( 14.342 0.000 -4.221) 14.950 2.094 ( -9.449 0.000 -7.668) 12.169 2.147 ( 0.109 0.000 -2.964) 2.966 2.794 ( 1.465 0.000 13.431) 13.510 2.823 ( 0.930 0.000 13.074) 13.107 2.978 ( -2.817 0.000 -0.708) 2.904 3.023 ( -1.226 0.000 -4.188) 4.363 3.198 ( -7.446 0.000 17.611) 19.121 3.262 ( 3.780 0.000 9.742) 10.449 3.381 ( 4.562 0.000 -8.410) 9.567 3.385 ( -1.068 0.000 -0.550) 1.201 3.634 ( -20.507 0.000 -2.849) 20.704 3.705 ( 0.433 0.000 3.581) 3.607 3.771 ( 24.207 0.000 -26.112) 35.606 3.893 ( -11.834 0.000 -16.774) 20.529 4.138 ( -10.186 0.000 -0.296) 10.190 4.143 ( 5.739 0.000 -0.856) 5.802 4.818 ( 17.364 0.000 18.123) 25.099 4.897 ( 2.431 0.000 12.711) 12.941 5.122 ( -25.252 0.000 -5.663) 25.879 5.177 ( -4.841 0.000 -8.835) 10.075 5.327 ( 7.426 0.000 0.410) 7.437 5.434 ( -2.734 0.000 -1.747) 3.244 5.483 ( 8.341 0.000 0.901) 8.390 5.638 ( -7.908 0.000 -8.632) 11.706 6.006 ( -7.502 0.000 4.163) 8.580 6.101 ( 7.389 0.000 -5.173) 9.020 6.746 ( 18.099 0.000 16.958) 24.802 6.999 ( -8.330 0.000 -8.822) 12.133 7.310 ( 13.841 0.000 9.003) 16.511 7.335 ( 5.630 0.000 7.299) 9.218 7.649 ( -3.755 0.000 0.042) 3.755 7.796 ( -18.847 0.000 -13.472) 23.167 8.501 ( 1.586 0.000 2.243) 2.747 8.520 ( 3.274 0.000 0.235) 3.282 9.111 ( -2.073 0.000 3.293) 3.891 9.165 ( -0.151 0.000 1.781) 1.787 9.325 ( 5.270 0.000 2.486) 5.827 9.455 ( -4.989 0.000 -8.760) 10.081 9.510 ( 13.936 0.000 13.176) 19.179 9.794 ( -13.864 0.000 -13.238) 19.169 9.990 ( 4.636 0.000 1.398) 4.842 10.025 ( -4.892 0.000 -2.426) 5.461 10.350 ( -0.369 0.000 6.383) 6.394 10.463 ( 0.974 0.000 -4.616) 4.718 11.325 ( 5.323 0.000 5.055) 7.341 11.386 ( 14.128 0.000 7.868) 16.171 11.420 ( -7.783 0.000 -4.972) 9.236 11.544 ( -11.686 0.000 -7.515) 13.894 11.863 ( -0.478 0.000 3.565) 3.597 11.964 ( -3.117 0.000 -7.970) 8.558 12.609 ( 6.854 0.000 6.487) 9.437 12.672 ( 2.943 0.000 0.183) 2.949 13.048 ( 0.370 0.000 3.722) 3.740 13.141 ( -5.568 0.000 -5.981) 8.172 14.368 ( 5.787 0.000 7.411) 9.403 14.508 ( -7.210 0.000 -6.942) 10.009 15.232 ( 7.519 0.000 5.163) 9.121 15.329 ( -7.039 0.000 -5.239) 8.774 15.895 ( -3.260 0.000 -0.574) 3.310 15.906 ( 2.891 0.000 -1.581) 3.295 16.159 ( 7.690 0.000 4.855) 9.094 16.263 ( -6.886 0.000 -6.172) 9.248 16.548 ( 2.099 0.000 0.400) 2.136 16.565 ( -2.559 0.000 -1.358) 2.897 16.992 ( -0.643 0.000 1.590) 1.715 17.022 ( -0.924 0.000 -1.644) 1.886 17.748 ( -0.073 0.000 -0.532) 0.536 17.748 ( -0.641 0.000 -0.418) 0.765 17.863 ( -6.560 0.000 -0.974) 6.632 17.864 ( 4.680 0.000 -1.035) 4.793 18.437 ( 3.672 0.000 2.429) 4.402 18.457 ( -1.519 0.000 -0.050) 1.519 18.750 ( 18.215 0.000 13.964) 22.952 19.019 ( -17.239 0.000 -14.122) 22.285 19.348 ( 0.348 0.000 7.755) 7.763 19.485 ( 0.146 0.000 -5.703) 5.705 20.358 ( -0.223 0.000 -0.003) 0.223 20.368 ( -0.473 0.000 -0.925) 1.039 20.807 ( 4.887 0.000 6.766) 8.346 20.932 ( -4.242 0.000 -6.226) 7.534 21.250 ( 1.746 0.000 5.805) 6.061 21.354 ( -3.783 0.000 -4.311) 5.736 21.733 ( 2.100 0.000 -0.622) 2.190 21.773 ( -3.417 0.000 -5.170) 6.197 22.108 ( 0.932 0.000 7.088) 7.149 22.222 ( -0.263 0.000 -4.499) 4.507 22.458 ( 15.003 0.000 4.897) 15.782 22.555 ( -15.034 0.000 -5.257) 15.927 23.119 ( 4.667 0.000 1.371) 4.864 23.129 ( -1.610 0.000 -0.286) 1.635 23.331 ( 4.057 0.000 1.715) 4.405 23.375 ( -3.774 0.000 -2.201) 4.369 23.621 ( 4.121 0.000 2.011) 4.585 23.663 ( -7.940 0.000 -2.159) 8.228 23.802 ( -2.530 0.000 0.520) 2.583 23.814 ( 2.146 0.000 -0.811) 2.294 24.167 ( 0.042 0.000 4.399) 4.399 24.255 ( 0.094 0.000 -4.755) 4.756 24.460 ( 4.923 0.000 3.408) 5.987 24.572 ( -5.380 0.000 -9.013) 10.496 25.358 ( 1.104 0.000 1.807) 2.118 25.399 ( -1.128 0.000 -2.480) 2.724 25.950 ( -4.163 0.000 7.591) 8.658 26.022 ( 12.876 0.000 2.449) 13.107 29.127 ( -1.152 0.000 1.164) 1.638 29.175 ( -0.746 0.000 -4.721) 4.779 29.827 ( 6.713 0.000 11.644) 13.441 30.013 ( -7.815 0.000 -7.088) 10.550 30.478 ( -1.798 0.000 7.280) 7.499 30.599 ( 0.389 0.000 -5.163) 5.178 30.880 ( 2.472 0.000 3.919) 4.634 30.953 ( -0.881 0.000 -3.236) 3.353 36.739 ( -3.855 0.000 -2.131) 4.405 36.745 ( 1.139 0.000 -3.531) 3.710 37.115 ( -1.374 0.000 0.707) 1.545 37.161 ( -0.070 0.000 -3.777) 3.778 37.494 ( -1.427 0.000 10.774) 10.868 37.700 ( -0.593 0.000 -10.734) 10.750 38.016 ( 3.255 0.000 4.707) 5.722 38.101 ( -2.477 0.000 -3.942) 4.656 39.226 ( 3.889 0.000 7.054) 8.055 39.363 ( -1.334 0.000 -7.096) 7.220 39.910 ( 18.977 0.000 14.062) 23.620 40.209 ( -16.653 0.000 -16.312) 23.311 40.862 ( -7.643 0.000 12.488) 14.641 41.188 ( 9.949 0.000 -22.730) 24.812 42.544 ( 0.281 0.000 3.402) 3.414 42.619 ( -2.244 0.000 -4.502) 5.031 ======================= Grid point 147 (65/96) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -21.773 0.000 7.991) 23.193 1.252 ( -24.848 0.000 4.573) 25.266 1.851 ( -9.496 0.000 -5.932) 11.196 1.853 ( 1.482 0.000 -11.186) 11.284 2.199 ( 3.818 0.000 -8.026) 8.888 2.349 ( 19.998 0.000 4.645) 20.530 2.631 ( -32.281 0.000 18.508) 37.210 2.816 ( -5.311 0.000 -2.433) 5.842 2.929 ( -2.508 0.000 -9.871) 10.184 2.996 ( 1.293 0.000 5.059) 5.221 3.209 ( -2.449 0.000 6.428) 6.879 3.217 ( -3.850 0.000 0.144) 3.853 3.377 ( 4.166 0.000 4.088) 5.837 3.411 ( 2.411 0.000 -1.264) 2.722 3.507 ( 6.073 0.000 -4.492) 7.554 3.721 ( -1.131 0.000 -5.914) 6.021 3.766 ( 1.194 0.000 4.068) 4.239 3.977 ( 7.444 0.000 3.783) 8.350 4.088 ( -0.050 0.000 1.851) 1.852 4.374 ( 12.804 0.000 1.381) 12.879 4.691 ( -10.632 0.000 -4.876) 11.697 4.962 ( -3.289 0.000 -10.571) 11.071 5.004 ( -2.447 0.000 11.520) 11.777 5.284 ( -9.181 0.000 -0.448) 9.192 5.300 ( -12.843 0.000 -2.712) 13.126 5.391 ( 0.903 0.000 5.212) 5.289 5.499 ( 24.443 0.000 13.712) 28.026 5.651 ( 11.852 0.000 1.052) 11.899 6.178 ( 16.288 0.000 7.426) 17.901 6.362 ( 20.007 0.000 -6.637) 21.079 6.577 ( -21.342 0.000 -18.456) 28.215 6.995 ( -5.402 0.000 -1.805) 5.696 7.084 ( -19.529 0.000 -8.316) 21.226 7.248 ( -6.307 0.000 -3.879) 7.405 7.781 ( 11.257 0.000 5.745) 12.638 8.004 ( 19.284 0.000 13.873) 23.756 8.484 ( -1.756 0.000 -2.315) 2.906 8.509 ( -1.989 0.000 -4.879) 5.269 9.135 ( -4.844 0.000 8.686) 9.945 9.194 ( 4.653 0.000 -1.453) 4.875 9.268 ( -1.316 0.000 -10.333) 10.416 9.415 ( 0.267 0.000 6.514) 6.519 9.475 ( -4.911 0.000 -10.049) 11.185 9.813 ( -2.834 0.000 4.458) 5.283 9.916 ( -5.159 0.000 -0.889) 5.235 10.170 ( 14.180 0.000 3.478) 14.600 10.371 ( -3.913 0.000 3.441) 5.210 10.444 ( 6.259 0.000 -0.547) 6.283 11.204 ( -11.051 0.000 -7.425) 13.314 11.350 ( -0.528 0.000 -2.025) 2.092 11.521 ( 8.689 0.000 5.913) 10.510 11.696 ( 10.418 0.000 1.517) 10.527 11.923 ( 2.001 0.000 -3.253) 3.819 11.947 ( 6.457 0.000 10.974) 12.733 12.442 ( -18.317 0.000 -8.250) 20.089 12.532 ( -12.638 0.000 -3.499) 13.113 13.153 ( 6.683 0.000 -2.107) 7.007 13.217 ( 8.179 0.000 6.101) 10.204 14.348 ( -3.985 0.000 -5.394) 6.706 14.565 ( 7.609 0.000 7.516) 10.695 15.145 ( -7.681 0.000 -4.682) 8.995 15.392 ( 5.097 0.000 3.603) 6.242 15.844 ( -2.539 0.000 0.885) 2.689 15.948 ( 3.415 0.000 1.066) 3.577 16.087 ( -6.355 0.000 -5.490) 8.398 16.335 ( 6.845 0.000 4.189) 8.025 16.520 ( -1.348 0.000 -0.208) 1.364 16.597 ( 2.025 0.000 0.585) 2.108 17.000 ( -1.153 0.000 -0.461) 1.242 17.011 ( 1.098 0.000 3.124) 3.311 17.730 ( -5.409 0.000 2.251) 5.858 17.755 ( -1.032 0.000 0.605) 1.196 17.756 ( 0.746 0.000 0.463) 0.878 17.936 ( 1.875 0.000 0.200) 1.886 18.392 ( -4.260 0.000 -2.896) 5.151 18.483 ( 0.879 0.000 -0.664) 1.102 18.577 ( -14.882 0.000 -10.894) 18.443 19.142 ( 10.404 0.000 10.144) 14.531 19.419 ( 0.561 0.000 6.260) 6.285 19.423 ( -0.478 0.000 -7.201) 7.216 20.378 ( 1.898 0.000 0.243) 1.913 20.380 ( 1.630 0.000 0.758) 1.798 20.836 ( 0.269 0.000 -6.069) 6.075 20.981 ( 8.160 0.000 5.261) 9.709 21.259 ( -2.651 0.000 -2.635) 3.738 21.361 ( 3.848 0.000 7.064) 8.044 21.703 ( -1.451 0.000 -2.075) 2.532 21.781 ( 3.046 0.000 5.019) 5.871 22.112 ( -9.603 0.000 1.167) 9.674 22.148 ( -1.715 0.000 -5.253) 5.526 22.295 ( -4.969 0.000 -0.985) 5.066 22.774 ( 13.343 0.000 4.961) 14.236 23.035 ( -6.464 0.000 -2.813) 7.050 23.138 ( -1.154 0.000 -1.018) 1.539 23.290 ( -1.868 0.000 -0.420) 1.915 23.377 ( -2.525 0.000 -0.730) 2.628 23.634 ( 6.150 0.000 3.420) 7.037 23.777 ( 5.981 0.000 -0.513) 6.003 23.815 ( 4.869 0.000 3.917) 6.249 23.881 ( 5.013 0.000 0.094) 5.014 24.218 ( 1.435 0.000 4.440) 4.666 24.235 ( 2.378 0.000 -4.859) 5.410 24.398 ( -6.689 0.000 -4.794) 8.229 24.562 ( 1.821 0.000 4.911) 5.237 25.296 ( -8.586 0.000 -1.474) 8.712 25.360 ( -2.255 0.000 1.973) 2.996 25.850 ( -7.807 0.000 -1.833) 8.019 26.094 ( -2.354 0.000 -15.684) 15.859 29.146 ( 0.947 0.000 3.706) 3.825 29.163 ( 1.480 0.000 -0.974) 1.772 29.797 ( -7.326 0.000 -7.427) 10.432 30.042 ( 3.670 0.000 7.391) 8.253 30.546 ( 4.315 0.000 9.396) 10.339 30.561 ( -0.441 0.000 -4.787) 4.807 30.887 ( -2.514 0.000 -4.643) 5.280 30.953 ( 2.613 0.000 1.594) 3.060 36.709 ( 0.180 0.000 1.869) 1.877 36.809 ( 6.959 0.000 3.234) 7.674 37.117 ( -0.535 0.000 3.087) 3.133 37.144 ( 1.521 0.000 0.648) 1.653 37.597 ( 2.795 0.000 13.871) 14.150 37.636 ( 2.339 0.000 -8.787) 9.093 38.006 ( -3.297 0.000 -4.638) 5.691 38.092 ( 1.076 0.000 3.594) 3.751 39.236 ( -4.592 0.000 -9.099) 10.193 39.312 ( 0.168 0.000 3.957) 3.960 39.744 ( -18.724 0.000 -18.980) 26.662 40.424 ( 23.578 0.000 14.870) 27.876 40.812 ( -9.728 0.000 13.912) 16.976 41.166 ( 7.068 0.000 -19.323) 20.574 42.470 ( -10.886 0.000 -2.271) 11.121 42.483 ( -11.478 0.000 5.099) 12.560 ======================= Grid point 148 (66/96) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -8.511 0.000 26.882) 28.197 1.053 ( 2.120 0.000 26.328) 26.413 1.682 ( -14.841 0.000 19.697) 24.662 1.889 ( 7.889 0.000 -6.718) 10.362 2.160 ( 4.247 0.000 -13.212) 13.878 2.274 ( -19.986 0.000 18.308) 27.104 2.665 ( 4.940 0.000 -14.603) 15.416 2.687 ( -7.928 0.000 -2.553) 8.329 2.819 ( 5.530 0.000 -3.622) 6.611 3.021 ( -1.035 0.000 0.038) 1.035 3.193 ( 0.256 0.000 2.783) 2.795 3.269 ( 3.705 0.000 5.257) 6.431 3.419 ( -2.469 0.000 3.214) 4.053 3.517 ( 0.101 0.000 -2.038) 2.040 3.561 ( 5.857 0.000 11.405) 12.821 3.711 ( 5.542 0.000 -5.569) 7.857 3.741 ( -3.694 0.000 -3.750) 5.263 4.085 ( -1.019 0.000 5.133) 5.233 4.099 ( -0.384 0.000 -0.959) 1.034 4.386 ( 0.657 0.000 -7.755) 7.783 4.668 ( -0.979 0.000 2.444) 2.633 4.757 ( -4.829 0.000 -11.952) 12.891 4.899 ( -12.914 0.000 2.179) 13.096 5.263 ( 0.730 0.000 4.189) 4.252 5.307 ( 2.658 0.000 8.931) 9.318 5.347 ( 1.558 0.000 2.032) 2.561 5.867 ( 0.951 0.000 -7.697) 7.756 5.931 ( 3.639 0.000 -8.890) 9.606 6.214 ( 13.845 0.000 8.169) 16.075 6.466 ( -4.361 0.000 -6.650) 7.952 6.504 ( -7.338 0.000 -18.563) 19.961 6.735 ( -1.605 0.000 2.690) 3.132 6.855 ( 9.395 0.000 6.369) 11.350 7.224 ( 0.407 0.000 1.130) 1.201 7.861 ( -5.706 0.000 -9.624) 11.189 8.180 ( -6.701 0.000 -7.455) 10.024 8.504 ( 6.340 0.000 4.319) 7.671 8.562 ( 9.345 0.000 7.180) 11.785 9.078 ( -3.348 0.000 1.244) 3.571 9.250 ( 4.232 0.000 -2.283) 4.808 9.281 ( 4.083 0.000 -1.775) 4.452 9.471 ( 0.265 0.000 6.696) 6.702 9.505 ( 7.709 0.000 2.692) 8.165 9.569 ( -13.775 0.000 -6.750) 15.340 9.852 ( -1.886 0.000 2.975) 3.522 10.309 ( -3.906 0.000 2.804) 4.808 10.323 ( 5.266 0.000 -1.687) 5.529 10.581 ( -4.428 0.000 -8.931) 9.968 11.136 ( 8.887 0.000 6.558) 11.044 11.408 ( 4.236 0.000 4.579) 6.238 11.614 ( -2.143 0.000 -1.320) 2.517 11.786 ( 4.156 0.000 -2.754) 4.986 11.955 ( 2.735 0.000 -4.764) 5.493 12.133 ( -10.023 0.000 -0.443) 10.032 12.138 ( -5.484 0.000 3.736) 6.636 12.316 ( 3.185 0.000 7.093) 7.775 13.234 ( 4.042 0.000 -3.675) 5.462 13.311 ( -1.224 0.000 -0.361) 1.276 14.295 ( 1.437 0.000 -1.428) 2.026 14.643 ( -4.282 0.000 -2.851) 5.144 15.053 ( 1.229 0.000 2.393) 2.691 15.426 ( -2.300 0.000 -2.553) 3.436 15.845 ( 0.592 0.000 4.124) 4.166 15.971 ( -1.474 0.000 -3.181) 3.506 16.142 ( 13.149 0.000 8.146) 15.468 16.449 ( 2.277 0.000 1.701) 2.842 16.512 ( 0.357 0.000 1.072) 1.130 16.617 ( 0.802 0.000 -0.157) 0.817 16.966 ( -2.126 0.000 -0.023) 2.126 17.023 ( -2.858 0.000 -0.917) 3.001 17.657 ( -4.957 0.000 5.201) 7.185 17.747 ( -2.422 0.000 -2.238) 3.298 17.774 ( 0.815 0.000 1.141) 1.402 17.897 ( -2.870 0.000 -1.527) 3.251 18.331 ( 1.303 0.000 0.388) 1.359 18.472 ( -0.521 0.000 -2.047) 2.112 18.493 ( 8.376 0.000 5.417) 9.975 19.268 ( -0.993 0.000 4.107) 4.225 19.365 ( 0.131 0.000 -5.831) 5.832 19.389 ( -7.225 0.000 -4.107) 8.310 20.411 ( 0.910 0.000 0.558) 1.068 20.413 ( 1.129 0.000 0.206) 1.147 20.884 ( 8.190 0.000 -0.645) 8.215 21.156 ( 7.561 0.000 1.501) 7.708 21.233 ( -0.572 0.000 2.370) 2.438 21.379 ( -6.383 0.000 -2.484) 6.849 21.688 ( 1.452 0.000 -1.163) 1.860 21.882 ( -8.300 0.000 -2.769) 8.750 22.090 ( 17.049 0.000 16.302) 23.588 22.114 ( 2.258 0.000 -2.589) 3.435 22.306 ( 3.968 0.000 4.046) 5.667 22.904 ( -5.714 0.000 -2.024) 6.062 22.995 ( 6.964 0.000 4.486) 8.284 23.122 ( 0.257 0.000 1.562) 1.583 23.283 ( -0.018 0.000 1.359) 1.359 23.377 ( 3.627 0.000 2.281) 4.285 23.732 ( 2.959 0.000 -3.754) 4.780 23.848 ( 4.148 0.000 -2.834) 5.024 23.941 ( 3.076 0.000 2.419) 3.913 23.967 ( 3.131 0.000 -0.844) 3.243 24.268 ( 0.236 0.000 3.348) 3.357 24.295 ( 10.120 0.000 -5.030) 11.302 24.362 ( 5.102 0.000 6.898) 8.580 24.589 ( -3.066 0.000 5.151) 5.995 25.082 ( -13.429 0.000 -0.517) 13.438 25.330 ( -2.639 0.000 2.257) 3.472 25.618 ( -31.982 0.000 -18.432) 36.913 25.690 ( -4.576 0.000 -8.354) 9.525 29.168 ( -0.337 0.000 -2.539) 2.562 29.177 ( -2.001 0.000 2.385) 3.113 29.682 ( -0.085 0.000 -1.589) 1.592 29.977 ( -9.644 0.000 -3.491) 10.256 30.517 ( 0.112 0.000 -3.843) 3.845 30.640 ( -3.983 0.000 -3.455) 5.273 30.882 ( 4.038 0.000 3.286) 5.206 30.992 ( 1.590 0.000 -1.343) 2.081 36.749 ( 1.071 0.000 3.712) 3.864 36.910 ( 1.356 0.000 -3.268) 3.539 37.142 ( -0.053 0.000 4.307) 4.307 37.292 ( 6.658 0.000 0.823) 6.709 37.655 ( 6.560 0.000 -5.284) 8.424 37.878 ( 4.746 0.000 5.029) 6.915 37.996 ( 9.066 0.000 5.697) 10.708 38.107 ( -1.619 0.000 1.434) 2.163 39.128 ( 6.008 0.000 0.243) 6.012 39.300 ( -2.837 0.000 0.118) 2.839 39.490 ( 11.044 0.000 13.426) 17.384 40.725 ( -9.513 0.000 9.542) 13.474 40.951 ( 16.677 0.000 15.726) 22.922 41.160 ( 8.666 0.000 -14.174) 16.613 42.205 ( -22.565 0.000 4.147) 22.942 42.206 ( -16.481 0.000 -0.227) 16.482 ======================= Grid point 149 (67/96) ======================= q-point: ( 0.00 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.443 2.064 28.262) 28.341 1.456 ( 7.309 15.341 20.358) 26.518 1.743 ( 9.958 -5.189 -17.040) 20.407 2.000 ( -15.547 4.129 -22.238) 27.446 2.239 ( -6.854 8.756 5.101) 12.234 2.330 ( 10.245 6.153 -5.497) 13.154 2.641 ( 9.809 35.349 18.088) 40.902 2.892 ( -0.755 15.210 -7.800) 17.110 3.048 ( 2.005 8.773 0.149) 9.001 3.063 ( -1.747 6.089 -0.504) 6.355 3.447 ( -7.032 11.107 6.190) 14.531 3.490 ( -1.362 2.964 9.504) 10.048 3.533 ( -0.864 16.176 4.576) 16.833 3.633 ( 2.182 10.712 0.357) 10.938 3.687 ( -4.191 12.530 -2.577) 13.461 3.748 ( -0.706 8.249 -7.312) 11.046 3.905 ( 2.693 5.663 9.339) 11.249 4.097 ( 3.563 9.072 -10.421) 14.269 4.313 ( 3.328 17.128 0.947) 17.474 4.386 ( -8.675 12.085 -7.371) 16.603 4.633 ( 0.153 2.129 3.762) 4.325 4.723 ( 1.320 2.452 -5.008) 5.730 4.805 ( 6.097 -2.812 7.733) 10.241 4.996 ( -10.547 -3.611 -10.268) 15.156 5.315 ( 2.307 -5.194 5.761) 8.092 5.403 ( -6.075 -8.892 -3.872) 11.444 5.788 ( 18.719 5.886 11.648) 22.819 5.929 ( -8.374 -1.670 -3.470) 9.217 6.140 ( 0.066 4.409 -2.248) 4.949 6.229 ( -15.733 9.923 -11.572) 21.906 6.837 ( 8.457 -7.807 6.865) 13.401 6.923 ( 7.292 1.437 6.792) 10.068 6.972 ( 10.649 3.402 6.350) 12.857 7.259 ( -9.802 4.249 -10.326) 14.858 7.695 ( 1.927 6.943 0.599) 7.231 7.853 ( -13.132 3.047 -11.973) 18.030 8.651 ( 0.402 -3.777 5.424) 6.622 8.721 ( 3.340 -2.793 -0.675) 4.406 9.052 ( -0.290 0.537 4.211) 4.255 9.131 ( -0.327 -3.554 -4.155) 5.477 9.357 ( -2.584 -1.293 2.530) 3.841 9.427 ( 1.286 0.708 -3.351) 3.659 9.572 ( 0.448 1.342 5.648) 5.823 9.684 ( 1.119 3.281 -6.157) 7.066 9.995 ( 13.253 4.008 14.031) 19.713 10.228 ( 1.145 -5.267 2.369) 5.887 10.285 ( -11.856 3.246 -10.283) 16.026 10.370 ( -4.242 -0.367 -6.154) 7.484 11.226 ( 6.627 -10.225 5.434) 13.341 11.308 ( -5.827 -7.399 -3.251) 9.963 11.560 ( 4.026 -7.658 3.741) 9.426 11.626 ( -2.354 -11.536 -2.493) 12.035 12.011 ( -4.552 7.561 1.351) 8.929 12.059 ( 1.085 6.162 -3.155) 7.007 12.397 ( 8.131 6.589 5.706) 11.920 12.447 ( -0.490 3.711 1.442) 4.011 13.125 ( -3.475 -8.985 -0.019) 9.634 13.174 ( -0.686 -6.349 -4.706) 7.933 14.338 ( 5.806 -4.107 3.967) 8.143 14.418 ( -7.273 -3.464 -4.435) 9.196 15.183 ( 7.094 -0.385 6.171) 9.410 15.303 ( -6.939 -0.130 -6.385) 9.430 15.852 ( 0.261 -4.542 3.571) 5.783 15.915 ( 0.676 -5.993 -3.165) 6.811 16.263 ( 4.289 -5.268 4.325) 8.053 16.309 ( -1.476 -8.149 -1.191) 8.366 16.514 ( 8.840 -8.233 5.183) 13.146 16.614 ( -9.596 -3.018 -4.802) 11.147 16.981 ( 6.154 -0.141 0.466) 6.173 17.015 ( -6.277 2.498 -2.781) 7.306 17.436 ( 1.053 -12.472 2.748) 12.814 17.494 ( -1.208 -15.997 -3.713) 16.467 17.687 ( 2.749 -11.893 3.884) 12.809 17.789 ( -3.495 -6.450 -6.913) 10.080 18.392 ( 0.133 1.852 0.908) 2.067 18.408 ( 1.734 0.372 -0.566) 1.862 19.033 ( 12.517 15.289 11.427) 22.826 19.223 ( -8.288 11.132 -7.271) 15.668 19.447 ( -1.259 14.211 0.289) 14.270 19.509 ( -3.554 16.372 -6.079) 17.822 20.427 ( 0.071 1.065 1.097) 1.531 20.449 ( -0.285 1.965 -1.214) 2.327 21.009 ( 8.208 -5.468 3.398) 10.431 21.066 ( -7.133 -6.097 -2.271) 9.655 21.285 ( -5.051 1.889 0.622) 5.429 21.303 ( 5.134 1.215 -1.062) 5.382 21.735 ( 0.500 -0.519 -0.143) 0.734 21.738 ( -1.109 -0.882 -0.623) 1.548 22.088 ( -0.208 -7.609 5.118) 9.173 22.115 ( -1.599 -6.468 2.215) 7.022 22.439 ( 11.972 -12.505 5.014) 18.024 22.548 ( -7.818 -10.934 -6.644) 14.994 23.067 ( 7.159 -11.862 5.950) 15.078 23.148 ( -1.829 -6.892 -1.004) 7.200 23.219 ( 2.299 -10.424 0.171) 10.676 23.247 ( -8.759 -13.052 -3.330) 16.067 23.651 ( 9.110 -2.820 7.722) 12.271 23.783 ( -7.212 1.713 -6.555) 9.895 24.098 ( 0.478 8.514 -0.068) 8.528 24.126 ( -0.754 10.261 -2.267) 10.535 24.313 ( -0.105 1.381 3.539) 3.800 24.385 ( -1.308 -0.023 -4.135) 4.337 24.501 ( 7.673 -4.600 11.292) 14.406 24.701 ( -8.036 -4.470 -9.113) 12.946 25.006 ( 9.138 13.085 15.082) 21.959 25.278 ( -9.244 15.032 -11.732) 21.191 25.486 ( 4.513 9.943 -0.499) 10.931 25.578 ( -3.126 1.601 -6.959) 7.795 29.149 ( -3.918 2.959 -0.145) 4.912 29.162 ( 3.448 2.359 -1.508) 4.442 29.789 ( 6.103 2.800 1.884) 6.974 29.803 ( -6.926 1.874 0.876) 7.229 30.466 ( -4.823 -2.164 2.286) 5.759 30.511 ( 2.006 -0.605 -2.560) 3.308 30.925 ( 0.902 -0.296 2.468) 2.644 30.971 ( -0.523 -1.325 -2.227) 2.644 36.882 ( 0.873 7.367 4.320) 8.585 36.967 ( -0.789 8.053 -4.664) 9.340 37.161 ( 2.269 0.342 7.193) 7.550 37.310 ( -2.752 1.751 -8.065) 8.699 37.863 ( 5.302 7.303 3.238) 9.588 37.944 ( -5.082 9.953 -4.725) 12.134 38.234 ( 2.831 16.067 3.838) 16.760 38.328 ( -10.918 24.467 -7.275) 27.763 39.234 ( 3.984 1.016 -0.088) 4.112 39.248 ( -4.017 1.552 -1.535) 4.572 40.408 ( 18.493 -7.973 6.199) 21.071 40.500 ( 0.022 -4.985 -4.398) 6.648 41.176 ( -10.680 6.756 10.381) 16.354 41.400 ( 21.635 5.920 -12.222) 25.544 41.840 ( -9.276 -9.190 3.583) 13.540 41.888 ( 5.126 -7.818 -1.548) 9.476 ======================= Grid point 150 (68/96) ======================= q-point: ( 0.17 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -2.286 13.941 4.716) 14.893 1.497 ( -2.087 -0.306 -12.021) 12.204 1.771 ( 11.044 7.898 -15.116) 20.318 2.056 ( 2.966 11.178 10.461) 15.594 2.210 ( 9.586 1.435 9.961) 13.899 2.458 ( 4.728 14.018 -7.309) 16.501 2.761 ( 2.123 11.425 -11.363) 16.252 2.874 ( 1.593 14.925 0.777) 15.029 2.970 ( -7.726 10.297 -2.073) 13.039 3.083 ( 1.818 7.774 1.217) 8.076 3.352 ( -6.028 10.999 6.591) 14.169 3.461 ( -13.471 -0.324 3.117) 13.830 3.496 ( -7.498 17.869 9.978) 21.796 3.610 ( -3.137 1.929 -5.190) 6.364 3.643 ( 4.347 19.335 1.996) 19.918 3.745 ( 8.618 8.184 -0.180) 11.886 4.044 ( 5.886 11.435 -6.935) 14.612 4.072 ( 0.869 10.277 2.256) 10.557 4.240 ( -2.987 15.058 0.486) 15.359 4.400 ( 1.131 13.179 4.068) 13.839 4.649 ( -1.774 6.546 -0.587) 6.807 4.781 ( 4.399 -1.058 -4.250) 6.207 4.837 ( 7.440 -2.800 2.503) 8.334 5.115 ( 12.938 -2.738 9.850) 16.490 5.350 ( -1.976 -8.706 -5.240) 10.352 5.408 ( -5.410 -5.144 -1.138) 7.551 5.599 ( -1.907 -2.198 1.632) 3.336 5.876 ( -5.082 6.960 1.789) 8.802 6.152 ( -1.042 -3.541 2.310) 4.354 6.454 ( 17.715 13.000 11.428) 24.767 6.718 ( -13.394 3.759 -10.735) 17.571 6.765 ( -17.155 3.379 -15.228) 23.186 6.939 ( -2.326 -4.133 -0.773) 4.805 7.318 ( 4.510 4.862 0.572) 6.657 7.700 ( 6.679 8.076 7.571) 12.929 7.981 ( 12.736 1.767 10.291) 16.469 8.601 ( -8.482 -2.697 -0.368) 8.908 8.661 ( -4.851 -1.763 -5.369) 7.447 9.081 ( 0.271 -0.371 0.957) 1.062 9.110 ( 0.238 -1.872 1.778) 2.592 9.351 ( -0.767 2.384 1.227) 2.789 9.430 ( -0.043 -2.369 -0.605) 2.445 9.581 ( -1.801 1.674 1.973) 3.152 9.624 ( -2.197 1.509 -5.943) 6.513 9.935 ( -6.542 -0.641 -8.409) 10.674 10.192 ( -6.572 -6.342 -3.522) 9.789 10.386 ( 11.938 5.226 12.823) 18.283 10.422 ( 7.948 1.029 3.482) 8.738 11.152 ( -6.953 -7.612 -3.937) 11.036 11.364 ( 0.086 -8.963 0.443) 8.975 11.504 ( -3.191 -7.675 -0.960) 8.367 11.600 ( -3.004 -10.921 0.032) 11.327 11.933 ( -4.671 2.460 3.112) 6.128 12.155 ( 8.339 8.377 2.631) 12.109 12.352 ( -1.309 2.754 -3.942) 4.984 12.513 ( -0.661 6.457 -7.234) 9.719 13.083 ( -2.402 -7.216 4.194) 8.685 13.206 ( 3.868 -6.636 2.041) 7.948 14.276 ( -4.414 -1.762 -2.232) 5.251 14.498 ( 6.448 -6.236 4.494) 10.033 15.137 ( -4.886 0.200 -5.365) 7.259 15.366 ( 6.836 0.389 4.961) 8.455 15.866 ( -0.653 -4.617 0.288) 4.672 15.894 ( -0.255 -5.720 -1.633) 5.954 16.208 ( -7.321 -1.935 -5.340) 9.266 16.321 ( 0.912 -8.985 0.551) 9.048 16.427 ( -4.841 -9.775 -2.919) 11.292 16.716 ( 6.014 1.775 3.765) 7.314 16.888 ( -3.912 -2.310 -0.699) 4.596 17.112 ( 6.568 1.386 2.230) 7.074 17.431 ( -0.984 -18.762 -2.319) 18.930 17.550 ( 5.267 -13.493 1.404) 14.552 17.676 ( -2.118 -12.665 -2.494) 13.081 17.777 ( 1.696 -5.134 3.942) 6.691 18.358 ( -2.258 -6.037 -0.839) 6.500 18.430 ( 0.501 7.456 -1.688) 7.661 18.925 ( -10.207 20.038 -10.094) 24.649 19.304 ( 5.469 7.278 4.164) 10.010 19.424 ( -0.225 11.082 2.054) 11.273 19.582 ( 8.590 20.093 4.783) 22.370 20.424 ( -1.181 0.746 -0.397) 1.452 20.436 ( -0.298 2.201 0.793) 2.358 20.852 ( -11.483 -4.364 -2.619) 12.561 21.089 ( -2.686 -6.248 0.889) 6.859 21.252 ( -0.095 0.454 -0.156) 0.490 21.394 ( 5.264 2.752 0.968) 6.019 21.679 ( -0.417 -0.613 -0.585) 0.944 21.835 ( 6.354 -0.576 0.598) 6.408 22.007 ( -4.158 -4.289 2.029) 6.309 22.235 ( 3.070 -9.459 2.862) 10.349 22.279 ( -10.717 -5.513 -10.159) 15.763 22.607 ( 2.837 -14.922 1.539) 15.267 22.970 ( -9.666 -11.717 -4.209) 15.762 23.183 ( 2.686 -10.266 1.743) 10.754 23.185 ( 0.126 -8.431 1.101) 8.503 23.334 ( 5.525 -7.547 4.274) 10.284 23.562 ( -9.157 0.180 -8.125) 12.243 23.816 ( 2.846 2.921 5.252) 6.649 24.060 ( -3.505 8.624 -0.790) 9.342 24.092 ( -2.477 10.277 1.562) 10.686 24.220 ( -5.145 2.132 0.460) 5.588 24.404 ( -0.108 4.491 -0.657) 4.540 24.472 ( -5.112 -1.762 -4.655) 7.135 24.842 ( 13.559 -10.567 5.924) 18.183 24.919 ( -7.565 8.029 -7.128) 13.134 25.374 ( 6.609 4.552 6.345) 10.230 25.494 ( -0.648 5.931 -4.717) 7.606 25.684 ( 15.372 6.754 4.511) 17.386 29.107 ( -0.707 -0.149 1.594) 1.750 29.254 ( 5.757 3.783 -2.039) 7.184 29.709 ( -3.428 3.153 0.431) 4.678 29.938 ( 8.068 1.494 1.523) 8.346 30.417 ( -3.133 -0.993 4.866) 5.872 30.567 ( 4.113 -1.602 0.181) 4.418 30.914 ( -2.654 -1.194 -1.842) 3.444 30.968 ( 1.066 0.742 0.809) 1.530 36.874 ( -2.541 5.833 -0.596) 6.391 36.973 ( 2.116 9.832 -0.769) 10.087 37.178 ( -2.266 -0.709 -2.935) 3.775 37.295 ( 3.407 3.292 4.437) 6.491 37.730 ( -10.543 13.575 -0.448) 17.194 37.960 ( 0.621 6.378 1.409) 6.561 38.209 ( -1.126 12.727 0.235) 12.779 38.363 ( -0.086 22.240 7.836) 23.580 39.153 ( -4.909 1.243 -1.200) 5.204 39.331 ( 5.591 2.398 -0.163) 6.086 39.813 ( -29.472 -0.153 -16.215) 33.639 40.759 ( 0.964 -7.803 -1.478) 8.000 40.968 ( -9.667 2.496 4.859) 11.103 41.358 ( -5.401 3.735 -17.188) 18.400 42.093 ( 16.958 -9.206 2.798) 19.497 42.226 ( 27.356 -8.204 -6.601) 29.313 ======================= Grid point 151 (69/96) ======================= q-point: ( 0.33 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 12.360 15.511 -6.360) 20.828 1.560 ( 14.681 7.489 -4.930) 17.202 1.894 ( 8.689 13.778 -9.217) 18.716 1.985 ( -4.810 11.993 5.263) 13.952 2.378 ( -2.733 26.967 -0.994) 27.123 2.558 ( 7.209 7.072 7.532) 12.598 2.751 ( -6.909 4.499 1.413) 8.365 2.807 ( -4.692 6.684 -0.235) 8.170 2.882 ( 6.186 -0.108 -0.556) 6.212 3.053 ( -5.682 1.907 -2.647) 6.552 3.211 ( -6.906 7.875 4.542) 11.416 3.365 ( -5.749 9.374 10.285) 15.056 3.550 ( 1.640 3.944 7.921) 8.999 3.572 ( 7.812 9.629 -6.934) 14.207 3.748 ( 8.505 17.891 -10.125) 22.247 3.858 ( -1.823 2.807 -0.587) 3.398 3.931 ( -0.903 25.746 -10.569) 27.845 4.179 ( -4.792 13.048 -0.832) 13.925 4.245 ( 8.349 6.241 1.471) 10.527 4.393 ( -4.661 6.129 -0.380) 7.709 4.642 ( -2.386 1.593 2.789) 4.001 4.838 ( 3.038 6.078 2.525) 7.249 5.076 ( 2.250 -10.335 0.454) 10.587 5.105 ( 7.184 1.385 0.550) 7.337 5.249 ( -5.517 -8.869 -1.612) 10.568 5.378 ( -0.474 -1.181 0.326) 1.313 5.675 ( -1.398 -1.169 -6.356) 6.612 5.844 ( -5.825 6.621 -1.088) 8.885 6.060 ( -6.244 -8.167 7.707) 12.848 6.411 ( -10.251 11.681 -8.154) 17.550 6.563 ( -1.287 15.168 1.445) 15.291 6.674 ( 9.749 -6.466 5.255) 12.825 6.995 ( 4.874 1.161 5.418) 7.379 7.454 ( 13.577 14.857 5.348) 20.825 7.844 ( -5.888 1.798 -0.871) 6.218 8.118 ( -1.280 -3.707 1.597) 4.234 8.497 ( -2.126 2.999 -1.096) 3.836 8.525 ( -2.884 6.306 -1.441) 7.083 9.094 ( -2.661 1.013 3.523) 4.529 9.130 ( 1.147 -6.842 0.532) 6.957 9.278 ( -7.237 4.786 -0.919) 8.725 9.366 ( 0.217 -2.535 -2.787) 3.774 9.532 ( 0.424 -2.203 -6.023) 6.427 9.722 ( 9.323 -6.552 5.770) 12.772 9.901 ( 1.417 1.216 0.507) 1.935 10.082 ( -1.401 -5.278 3.393) 6.429 10.491 ( -4.468 3.296 -5.177) 7.591 10.559 ( -1.070 5.127 0.034) 5.237 11.032 ( 2.269 -7.743 -0.880) 8.117 11.254 ( -7.468 -7.560 0.369) 10.633 11.538 ( -0.663 -8.721 1.552) 8.883 11.541 ( 0.987 -7.102 0.596) 7.196 11.879 ( -3.940 0.292 2.423) 4.635 12.239 ( -7.471 2.264 -11.715) 14.078 12.380 ( 9.257 2.485 3.045) 10.057 12.505 ( 9.919 6.769 4.765) 12.920 13.059 ( -3.705 -3.987 2.267) 5.896 13.246 ( -2.179 -4.902 -1.128) 5.482 14.237 ( 0.598 -2.681 1.491) 3.126 14.566 ( -1.979 -8.551 -1.512) 8.906 15.093 ( 3.180 1.089 0.836) 3.463 15.453 ( -0.516 1.325 -1.076) 1.783 15.819 ( -0.817 -6.266 -3.181) 7.075 15.895 ( -2.257 -7.378 -0.896) 7.768 16.076 ( 0.896 2.813 -0.211) 2.959 16.323 ( -0.833 -7.148 -0.765) 7.237 16.383 ( 0.229 -10.588 -0.008) 10.591 16.681 ( -5.664 2.937 -5.252) 8.264 16.937 ( 3.715 -1.269 5.339) 6.627 17.228 ( -0.326 8.812 -1.512) 8.947 17.371 ( 3.389 -29.542 0.186) 29.736 17.630 ( 0.987 -10.618 -0.095) 10.665 17.682 ( -0.191 -18.196 -0.421) 18.202 17.784 ( -1.675 -0.065 0.644) 1.796 18.341 ( 1.341 -9.305 2.001) 9.612 18.432 ( 0.800 8.869 0.995) 8.961 18.806 ( 3.794 22.565 -1.602) 22.938 19.369 ( 0.858 6.208 0.913) 6.333 19.425 ( -1.592 9.754 0.168) 9.885 19.723 ( 0.686 21.183 0.239) 21.195 20.394 ( -1.278 0.649 -0.804) 1.643 20.429 ( -1.810 2.815 -0.227) 3.355 20.696 ( -3.564 -3.762 3.333) 6.161 20.994 ( -5.170 -5.396 -3.168) 8.117 21.250 ( 0.132 2.449 1.535) 2.893 21.460 ( -0.255 2.634 0.239) 2.657 21.701 ( 3.033 0.142 -1.620) 3.442 21.875 ( -3.221 -4.339 -6.239) 8.254 22.029 ( 3.611 -3.595 -1.336) 5.267 22.091 ( 2.831 0.718 3.861) 4.842 22.277 ( -0.642 -6.849 -0.563) 6.902 22.673 ( 4.455 -19.593 5.282) 20.776 22.786 ( -9.110 -5.100 -2.623) 10.765 23.188 ( 0.144 -10.378 -0.848) 10.413 23.230 ( -0.461 -13.583 1.305) 13.653 23.322 ( -5.944 5.228 -8.265) 11.444 23.477 ( 4.922 -5.903 2.466) 8.071 23.845 ( -2.270 8.233 2.011) 8.774 23.999 ( -2.825 9.304 -0.477) 9.735 24.035 ( -4.485 9.089 -0.832) 10.169 24.192 ( -0.034 3.847 2.176) 4.420 24.373 ( 0.556 2.566 -1.211) 2.892 24.374 ( -3.276 2.642 -2.749) 5.027 24.726 ( -4.945 1.496 -10.544) 11.741 25.128 ( 9.815 -13.017 5.642) 17.252 25.417 ( -2.135 -1.658 -1.128) 2.929 25.598 ( 9.920 1.866 10.026) 14.227 25.968 ( 8.082 2.627 4.872) 9.795 29.117 ( -0.528 -1.615 1.686) 2.394 29.268 ( -0.310 2.698 -6.727) 7.255 29.720 ( 2.408 4.214 5.073) 7.021 30.067 ( 3.617 -0.921 -0.419) 3.756 30.429 ( -1.163 -1.034 6.926) 7.099 30.620 ( 0.995 -1.832 -1.258) 2.435 30.857 ( -0.900 1.290 -0.107) 1.577 30.987 ( 0.633 1.339 -0.900) 1.733 36.823 ( -1.715 5.087 -1.998) 5.728 36.924 ( -4.335 5.849 -5.239) 8.970 37.192 ( 4.530 7.889 0.741) 9.127 37.386 ( 1.414 7.979 5.179) 9.617 37.582 ( -7.331 11.120 2.934) 13.638 37.944 ( -4.020 6.415 -2.393) 7.939 38.145 ( -9.947 21.404 -3.495) 23.859 38.225 ( -4.294 8.028 -2.490) 9.438 39.134 ( 3.303 3.309 4.320) 6.366 39.390 ( 3.518 0.788 -2.899) 4.626 39.604 ( 8.637 2.936 1.437) 9.235 40.572 ( -15.624 -4.628 -6.039) 17.378 40.886 ( -6.738 -0.361 9.665) 11.787 41.219 ( 7.504 1.976 -22.760) 24.047 42.349 ( 8.649 -7.605 3.741) 12.109 42.520 ( 11.282 -7.712 -7.015) 15.362 ======================= Grid point 152 (70/96) ======================= q-point: (-0.50 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 1.860 11.017 0.484) 11.184 1.612 ( 0.898 5.535 -10.532) 11.932 1.907 ( -8.295 14.890 5.949) 18.053 2.053 ( 12.474 18.974 -10.139) 24.868 2.392 ( 1.588 22.036 6.361) 22.991 2.536 ( -0.193 20.754 -8.024) 22.252 2.740 ( -0.811 -4.877 8.233) 9.603 2.835 ( 1.292 -2.829 2.723) 4.134 2.926 ( -6.463 -0.164 4.397) 7.818 2.964 ( 0.248 0.159 1.915) 1.937 3.269 ( 3.952 10.222 12.361) 16.520 3.370 ( -2.847 9.529 9.487) 13.744 3.587 ( -10.939 13.734 -2.828) 17.784 3.672 ( -6.295 7.716 0.975) 10.005 3.766 ( -0.046 5.005 -5.059) 7.117 3.788 ( 21.244 1.565 -11.497) 24.206 3.850 ( -2.486 25.085 -5.457) 25.792 3.970 ( -6.916 11.693 -10.395) 17.106 4.225 ( -5.998 11.250 5.089) 13.727 4.345 ( 2.167 15.585 -7.841) 17.581 4.702 ( 8.289 -3.297 9.751) 13.216 4.875 ( -10.231 -9.593 -5.977) 15.245 5.061 ( -5.429 5.993 8.846) 11.985 5.155 ( 8.695 -4.107 -1.391) 9.716 5.326 ( -1.417 0.471 1.494) 2.113 5.364 ( 3.588 -4.807 0.419) 6.013 5.616 ( 3.815 8.647 -0.482) 9.463 5.719 ( -7.412 8.989 -7.123) 13.655 5.982 ( -5.857 -1.892 6.112) 8.674 6.132 ( 1.506 3.406 -9.798) 10.482 6.786 ( 11.769 0.872 9.158) 14.938 6.917 ( -4.494 -7.175 -3.310) 9.090 7.179 ( 20.804 2.941 15.450) 26.080 7.464 ( -22.451 3.084 -13.322) 26.287 7.828 ( 15.766 15.789 9.108) 24.100 7.969 ( -13.434 9.596 -6.277) 17.662 8.487 ( 0.273 0.799 2.726) 2.853 8.529 ( 1.777 1.513 -1.936) 3.032 9.033 ( -3.367 -5.972 2.809) 7.409 9.122 ( 0.548 -6.497 -4.537) 7.943 9.289 ( 2.465 -1.122 6.184) 6.751 9.401 ( 1.209 -2.672 -2.712) 3.995 9.549 ( 4.280 1.832 4.217) 6.282 9.698 ( -6.747 -6.167 -7.365) 11.738 10.010 ( 9.380 2.653 5.591) 11.238 10.157 ( -12.473 7.053 -9.194) 17.025 10.299 ( 7.824 -3.321 10.944) 13.857 10.479 ( -6.086 1.097 -7.522) 9.738 11.161 ( 2.969 -9.945 2.738) 10.734 11.194 ( 1.967 -9.645 -0.305) 9.848 11.513 ( -0.003 -2.500 1.215) 2.779 11.542 ( -2.204 -4.591 -1.334) 5.264 11.870 ( 0.656 2.454 4.918) 5.535 12.004 ( -4.594 4.479 -9.406) 11.386 12.614 ( 5.642 -0.568 5.622) 7.985 12.667 ( 2.082 -0.830 0.512) 2.299 13.039 ( 0.398 -0.853 3.018) 3.161 13.116 ( -4.598 -2.402 -5.013) 7.214 14.323 ( 5.422 -4.447 5.649) 9.005 14.436 ( -6.745 -7.055 -5.896) 11.404 15.230 ( 7.539 -0.118 5.215) 9.168 15.334 ( -7.660 0.273 -5.745) 9.579 15.806 ( -0.401 -7.669 0.260) 7.684 15.841 ( -0.005 -6.865 -3.153) 7.554 16.188 ( 5.976 1.779 4.159) 7.494 16.263 ( -4.089 -0.384 -3.568) 5.440 16.435 ( 4.405 -8.246 3.169) 9.872 16.517 ( -6.322 -4.199 -5.516) 9.382 17.039 ( 2.683 2.261 5.134) 6.218 17.127 ( -3.565 2.165 -4.375) 6.044 17.532 ( 6.424 -20.347 4.459) 21.798 17.600 ( -4.265 -15.895 -2.576) 16.658 17.659 ( 2.712 -9.370 1.004) 9.806 17.703 ( -5.380 -7.641 -3.416) 9.950 18.416 ( 1.806 -1.851 3.627) 4.454 18.459 ( 0.823 3.565 -0.645) 3.716 19.021 ( 14.336 17.893 8.097) 24.315 19.202 ( -13.971 12.135 -10.549) 21.301 19.481 ( 2.879 12.268 8.645) 15.282 19.637 ( -3.655 14.054 -6.952) 16.100 20.383 ( 0.148 2.355 -0.071) 2.361 20.388 ( -0.524 1.839 -0.401) 1.954 20.765 ( 4.517 -3.249 6.135) 8.282 20.876 ( -3.690 -4.148 -5.505) 7.819 21.299 ( 1.710 3.463 5.423) 6.658 21.397 ( -3.179 3.093 -4.128) 6.059 21.735 ( 1.560 0.449 -0.653) 1.750 21.768 ( -2.337 -0.364 -4.325) 4.929 22.079 ( 1.576 -2.813 4.328) 5.397 22.147 ( -3.124 -6.659 -2.928) 7.917 22.399 ( 11.392 -5.306 7.670) 14.722 22.547 ( -9.869 -2.187 -7.607) 12.651 22.898 ( 10.590 -15.689 9.872) 21.348 23.082 ( -10.136 -13.247 -9.236) 19.066 23.200 ( -2.027 -9.226 -0.483) 9.459 23.203 ( 0.819 -9.310 -0.693) 9.371 23.661 ( 10.684 5.183 4.753) 12.791 23.740 ( -9.687 7.240 -3.467) 12.581 23.949 ( -1.454 10.151 0.925) 10.296 23.978 ( 0.421 10.999 -1.813) 11.155 24.230 ( 1.665 5.344 3.550) 6.628 24.296 ( -2.063 3.256 -3.563) 5.249 24.440 ( 4.470 -1.500 3.519) 5.883 24.553 ( -5.348 -1.293 -8.439) 10.075 25.291 ( 4.011 -7.744 4.012) 9.599 25.350 ( -3.866 -2.718 -2.377) 5.290 25.870 ( 5.260 -4.146 11.204) 13.053 26.030 ( 1.445 -2.881 -4.462) 5.504 29.118 ( -0.395 -0.336 2.190) 2.251 29.190 ( -1.087 1.679 -5.963) 6.290 29.853 ( 4.562 2.520 9.900) 11.188 30.012 ( -5.517 0.224 -6.305) 8.381 30.476 ( -0.743 -0.028 7.363) 7.400 30.594 ( 0.254 -0.379 -4.789) 4.810 30.896 ( 2.145 1.480 3.644) 4.480 30.967 ( -0.975 1.309 -3.365) 3.740 36.788 ( -1.331 5.638 -0.393) 5.806 36.818 ( -0.742 5.833 -4.071) 7.152 37.305 ( 5.856 16.743 2.385) 17.897 37.371 ( -4.325 16.988 -3.820) 17.942 37.556 ( 0.023 5.951 11.570) 13.011 37.771 ( -2.725 6.482 -10.722) 12.822 38.108 ( 2.344 9.774 2.414) 10.337 38.158 ( -2.943 6.075 -2.598) 7.233 39.254 ( 3.368 2.654 6.752) 7.998 39.385 ( -1.043 1.984 -6.668) 7.035 39.924 ( 17.440 1.261 13.448) 22.059 40.203 ( -14.549 -0.462 -14.909) 20.837 40.861 ( -7.043 -0.165 12.653) 14.482 41.187 ( 8.630 -0.598 -22.584) 24.184 42.454 ( -1.759 -7.619 5.755) 9.708 42.560 ( -0.082 -6.066 -5.573) 8.237 ======================= Grid point 153 (71/96) ======================= q-point: (-0.33 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -19.001 16.241 0.120) 24.997 1.572 ( -20.854 14.819 -3.498) 25.822 1.760 ( 7.507 15.121 2.256) 17.032 2.193 ( 5.467 13.367 -13.872) 20.025 2.380 ( -3.329 23.068 -0.332) 23.309 2.612 ( 5.290 13.034 -0.874) 14.093 2.670 ( -22.395 10.294 14.967) 28.836 2.786 ( -3.744 -2.953 3.680) 6.023 2.855 ( 1.834 -3.527 -4.383) 5.917 2.988 ( 2.251 3.208 3.419) 5.201 3.297 ( -2.846 9.841 -2.048) 10.447 3.365 ( 1.689 8.956 -0.168) 9.116 3.504 ( 5.741 8.534 9.850) 14.241 3.645 ( -3.533 1.634 -0.958) 4.009 3.731 ( -2.250 22.181 -3.582) 22.581 3.768 ( -0.960 14.435 8.451) 16.754 3.890 ( 3.674 10.430 -10.446) 15.212 4.131 ( 7.663 10.118 2.625) 12.961 4.205 ( 1.663 12.336 3.480) 12.925 4.387 ( 6.901 5.668 -0.927) 8.978 4.678 ( -2.286 1.368 -2.105) 3.395 4.897 ( -4.176 -3.742 7.991) 9.762 4.980 ( 0.074 -5.588 -2.873) 6.284 5.170 ( -11.235 -6.343 -1.836) 13.032 5.286 ( -1.065 3.122 -1.756) 3.737 5.399 ( 2.363 -0.270 -0.882) 2.537 5.530 ( 1.488 6.782 3.664) 7.850 5.769 ( 9.350 9.010 4.137) 13.628 6.187 ( 12.854 -8.614 4.142) 16.018 6.251 ( 13.269 1.567 -0.179) 13.363 6.684 ( -9.782 0.713 -9.173) 13.429 6.868 ( -15.840 -0.994 -12.144) 19.985 7.037 ( -1.812 3.779 -0.038) 4.191 7.584 ( -14.436 17.295 -4.951) 23.066 7.721 ( 14.926 -1.734 9.588) 17.824 8.106 ( 7.524 5.577 3.178) 9.889 8.508 ( 1.047 1.699 0.337) 2.024 8.528 ( 0.062 3.855 -3.562) 5.249 9.034 ( -0.953 -8.168 7.258) 10.968 9.159 ( 6.364 -3.496 -1.325) 7.381 9.312 ( -1.590 2.897 -4.690) 5.737 9.391 ( -3.139 -5.216 -3.750) 7.150 9.427 ( -0.819 1.557 4.165) 4.522 9.798 ( 1.326 -8.765 -0.762) 8.898 9.902 ( -5.937 6.048 -2.059) 8.721 10.208 ( -9.142 -1.337 -7.756) 12.063 10.334 ( 15.145 2.195 10.455) 18.534 10.513 ( 4.786 3.470 4.077) 7.182 11.059 ( -6.901 -10.156 -3.548) 12.781 11.275 ( 4.422 -5.325 -1.594) 7.103 11.513 ( 0.860 -4.939 1.887) 5.357 11.589 ( 1.999 -9.778 -1.327) 10.068 11.926 ( 2.888 2.354 -1.705) 4.097 12.019 ( 7.981 5.125 8.707) 12.876 12.465 ( -12.747 1.343 -4.857) 13.707 12.601 ( -11.387 5.589 -4.962) 13.621 13.068 ( 5.327 -7.153 1.956) 9.131 13.209 ( 6.496 -1.735 2.055) 7.031 14.288 ( -3.983 -5.895 -3.848) 8.088 14.494 ( 6.326 -6.846 5.876) 11.019 15.145 ( -7.369 0.203 -4.396) 8.583 15.402 ( 5.715 0.722 4.257) 7.162 15.782 ( -1.610 -6.648 0.525) 6.860 15.855 ( 2.623 -8.175 1.034) 8.647 16.130 ( -5.656 3.244 -4.700) 8.038 16.298 ( 2.861 -4.192 1.946) 5.435 16.404 ( -2.159 -8.807 -2.348) 9.367 16.583 ( 7.090 -1.398 5.067) 8.825 17.026 ( -3.681 0.994 -3.848) 5.417 17.152 ( 4.758 3.923 5.155) 8.038 17.425 ( -9.335 -18.684 -4.206) 21.305 17.629 ( -0.247 -10.260 -0.108) 10.263 17.650 ( 2.288 -18.502 2.303) 18.784 17.776 ( 5.803 -3.251 1.584) 6.838 18.410 ( -3.359 -3.168 -4.070) 6.155 18.445 ( -0.253 4.504 -0.088) 4.512 18.842 ( -12.992 18.919 -5.953) 23.710 19.286 ( 5.225 8.984 6.078) 12.040 19.529 ( -1.501 10.184 -6.851) 12.365 19.652 ( 6.481 19.701 7.333) 21.998 20.382 ( 0.861 1.000 0.339) 1.362 20.424 ( 2.774 3.375 0.116) 4.371 20.785 ( -0.346 -3.923 -5.615) 6.858 20.917 ( 6.926 -5.163 4.730) 9.849 21.283 ( -3.582 2.446 -1.379) 4.551 21.420 ( 3.502 3.594 4.446) 6.704 21.704 ( -1.778 -0.015 -1.939) 2.631 21.763 ( 0.880 -1.280 3.302) 3.649 22.030 ( -7.305 -6.002 -1.042) 9.512 22.108 ( -2.579 -3.444 2.746) 5.104 22.331 ( -3.542 -0.376 -6.392) 7.318 22.685 ( 10.372 -9.489 5.483) 15.089 22.822 ( -7.623 -13.329 -7.870) 17.254 23.159 ( 6.200 -7.698 5.624) 11.372 23.180 ( 0.892 -6.949 3.079) 7.653 23.245 ( 3.432 -13.742 0.241) 14.166 23.516 ( -9.284 1.004 -2.618) 9.698 23.861 ( 6.318 7.987 0.794) 10.215 23.987 ( 4.837 8.973 3.824) 10.887 24.001 ( 2.704 8.625 -1.019) 9.097 24.233 ( -1.557 2.308 -2.028) 3.444 24.323 ( 4.737 7.055 2.633) 8.896 24.408 ( -3.881 0.254 -5.180) 6.478 24.561 ( 4.127 0.631 6.476) 7.705 25.204 ( -9.037 -5.959 -2.820) 11.186 25.372 ( 1.168 -2.157 3.274) 4.091 25.790 ( -9.702 -3.202 -6.256) 11.980 26.070 ( 0.937 -4.129 -7.052) 8.226 29.147 ( 0.512 0.324 0.060) 0.609 29.165 ( 1.802 1.069 1.962) 2.870 29.828 ( -6.638 2.718 -5.603) 9.102 30.005 ( 0.865 -1.893 6.916) 7.223 30.505 ( -0.866 -1.150 2.858) 3.200 30.579 ( 1.197 -0.149 -0.932) 1.524 30.896 ( -2.301 1.104 -3.629) 4.436 30.962 ( 1.795 0.879 1.540) 2.523 36.777 ( 0.476 5.966 1.806) 6.252 36.858 ( 5.090 5.450 1.529) 7.612 37.234 ( -5.814 11.071 -3.601) 13.013 37.423 ( 3.493 14.744 1.001) 15.185 37.684 ( 2.648 5.336 -7.099) 9.267 37.811 ( 17.554 19.603 11.134) 28.572 38.098 ( 0.636 12.119 -0.022) 12.135 38.174 ( 1.990 7.867 2.795) 8.583 39.265 ( -4.360 2.551 -8.196) 9.627 39.329 ( -0.343 1.621 3.762) 4.110 39.780 ( -16.848 3.474 -18.792) 25.477 40.403 ( 21.933 -1.962 12.287) 25.217 40.819 ( -9.156 0.718 13.334) 16.191 41.170 ( 8.043 -0.000 -16.666) 18.505 42.368 ( -12.155 -7.347 4.867) 15.014 42.441 ( -10.186 -5.755 -2.099) 11.886 ======================= Grid point 154 (72/96) ======================= q-point: (-0.17 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -10.181 19.106 13.306) 25.412 1.303 ( -7.896 24.201 15.097) 29.596 1.825 ( -0.133 1.443 -12.578) 12.662 2.126 ( 2.364 15.115 1.680) 15.391 2.347 ( -5.720 12.234 3.933) 14.065 2.419 ( -5.304 26.393 15.515) 31.072 2.521 ( -14.411 2.315 -13.712) 20.026 2.871 ( 4.614 5.588 1.105) 7.331 2.937 ( 9.618 10.203 0.287) 14.025 3.062 ( 0.995 3.442 3.352) 4.907 3.373 ( 8.560 13.082 2.666) 15.859 3.427 ( 1.519 3.363 3.812) 5.305 3.545 ( -0.764 10.266 2.719) 10.647 3.594 ( -2.661 6.854 -1.511) 7.506 3.716 ( 1.223 7.776 -0.460) 7.885 3.827 ( -2.874 23.882 8.196) 25.412 3.848 ( 0.457 7.160 -6.930) 9.975 4.130 ( -1.559 4.067 -1.367) 4.565 4.279 ( 2.764 19.746 -1.701) 20.011 4.473 ( 3.137 8.803 -2.889) 9.781 4.656 ( -2.134 2.064 -3.720) 4.759 4.794 ( -4.187 -1.154 -3.509) 5.584 4.859 ( -12.546 -2.400 0.320) 12.778 5.144 ( 7.108 -9.936 8.771) 15.040 5.315 ( -5.415 0.773 -6.502) 8.497 5.346 ( 4.523 3.094 4.851) 7.319 5.642 ( -2.263 -8.862 0.949) 9.196 5.982 ( 4.435 3.422 -6.859) 8.856 6.163 ( 0.463 -12.804 1.387) 12.887 6.500 ( 6.580 10.941 1.930) 12.912 6.636 ( 3.851 3.299 -0.567) 5.102 6.664 ( 1.147 4.096 -0.657) 4.304 6.950 ( -3.807 4.677 -4.333) 7.426 7.293 ( -5.621 6.622 0.148) 8.687 7.898 ( -3.765 4.519 -8.518) 10.352 8.123 ( -5.198 -3.290 -4.759) 7.777 8.553 ( 5.646 -1.135 4.677) 7.419 8.576 ( 5.409 4.396 1.750) 7.186 9.059 ( -2.724 -2.182 4.352) 5.578 9.169 ( -1.120 -3.639 -4.576) 5.953 9.358 ( 5.248 2.440 -0.307) 5.796 9.423 ( 4.394 -1.524 1.565) 4.907 9.490 ( 1.378 -0.003 4.759) 4.954 9.639 ( -1.633 2.641 -2.054) 3.723 9.861 ( -3.300 1.883 -0.456) 3.827 10.118 ( 2.133 -9.322 3.367) 10.139 10.464 ( -2.195 4.911 -1.482) 5.580 10.599 ( -4.336 1.549 -7.762) 9.025 11.049 ( 7.364 -7.580 6.499) 12.407 11.353 ( 2.705 -3.610 0.984) 4.617 11.517 ( -1.829 -8.188 -1.475) 8.519 11.584 ( 3.531 -14.559 0.583) 14.993 11.989 ( 4.652 0.147 -2.558) 5.310 12.210 ( -6.570 9.730 -2.161) 11.938 12.289 ( 2.169 -2.236 5.653) 6.454 12.362 ( -4.732 13.495 3.377) 14.694 13.152 ( 2.654 -8.091 -2.247) 8.807 13.254 ( -1.675 -4.962 -2.462) 5.787 14.249 ( 1.389 -4.551 0.475) 4.781 14.558 ( -2.947 -7.624 -1.332) 8.282 15.061 ( 0.784 0.995 2.159) 2.504 15.442 ( -2.678 1.011 -2.769) 3.983 15.799 ( 1.318 -5.096 4.080) 6.659 15.927 ( 1.204 -8.833 -0.846) 8.954 16.088 ( 5.273 1.013 5.401) 7.616 16.326 ( -0.095 -9.607 -0.047) 9.608 16.396 ( 2.103 -9.379 0.415) 9.621 16.721 ( 2.317 4.567 2.250) 5.593 16.925 ( -1.848 -3.385 -3.829) 5.435 17.175 ( -7.159 3.701 -4.360) 9.163 17.346 ( 3.785 -17.218 5.634) 18.508 17.601 ( -3.574 -13.142 -2.633) 13.871 17.667 ( -1.389 -16.662 -0.661) 16.733 17.839 ( 2.598 2.171 -2.997) 4.521 18.346 ( 0.725 -8.623 -0.251) 8.657 18.428 ( -1.239 8.279 -1.326) 8.475 18.766 ( 4.838 20.218 6.607) 21.814 19.328 ( -2.243 6.162 1.230) 6.672 19.470 ( -0.245 10.485 -4.144) 11.276 19.693 ( -5.070 22.375 -4.307) 23.343 20.409 ( 1.073 0.760 0.911) 1.600 20.456 ( 0.749 3.061 -1.020) 3.312 20.828 ( 8.049 -4.786 -0.200) 9.367 21.072 ( 5.619 -6.854 2.387) 9.178 21.245 ( 0.234 1.734 0.465) 1.810 21.417 ( -6.417 1.953 -0.939) 6.773 21.686 ( 1.650 -0.396 -1.346) 2.166 21.835 ( -3.375 -4.031 1.779) 5.550 21.951 ( 3.267 -6.423 7.173) 10.168 22.122 ( 3.452 -1.909 5.812) 7.024 22.272 ( -1.151 -6.448 -1.664) 6.758 22.666 ( -2.155 -14.545 -4.791) 15.465 22.893 ( 6.630 -10.127 4.313) 12.850 23.165 ( -1.115 -8.364 1.034) 8.501 23.238 ( -2.277 -6.435 -2.476) 7.261 23.331 ( 3.412 4.506 5.334) 7.772 23.455 ( 2.463 -17.916 2.712) 18.287 23.900 ( -0.442 5.175 -3.891) 6.489 24.053 ( 3.887 6.709 -0.517) 7.771 24.122 ( 4.259 10.245 -0.115) 11.095 24.218 ( 2.892 0.527 1.221) 3.183 24.350 ( 0.090 3.291 3.289) 4.654 24.429 ( 3.218 2.010 -1.350) 4.027 24.713 ( 6.487 9.946 11.132) 16.277 24.978 ( -12.406 -8.373 -4.939) 15.761 25.404 ( -1.002 1.770 4.298) 4.755 25.569 ( -4.923 3.892 -12.224) 13.741 25.844 ( -14.889 4.412 -12.334) 19.831 29.144 ( 0.405 -0.387 -1.942) 2.021 29.213 ( -1.099 2.862 2.336) 3.855 29.721 ( -0.570 3.567 -1.450) 3.892 29.952 ( -8.599 -1.351 0.607) 8.725 30.493 ( -0.085 -1.860 -2.041) 2.762 30.573 ( -3.695 -3.337 -0.210) 4.984 30.877 ( 1.890 0.623 1.218) 2.333 30.986 ( 0.478 -0.395 -0.779) 0.995 36.823 ( 1.668 6.309 3.425) 7.370 36.976 ( 4.504 5.851 0.999) 7.451 37.121 ( -3.834 3.983 0.206) 5.533 37.417 ( -1.819 5.987 -5.415) 8.275 37.728 ( 6.592 6.567 -1.535) 9.431 37.992 ( 1.010 7.483 -1.552) 7.709 38.199 ( 0.329 11.288 1.099) 11.346 38.556 ( 21.727 40.045 -11.666) 47.030 39.144 ( 4.265 1.552 -0.499) 4.566 39.326 ( -1.511 2.595 0.690) 3.081 39.506 ( 10.741 1.711 12.701) 16.721 40.688 ( -5.934 -4.269 4.865) 8.781 40.920 ( 13.753 -0.392 13.265) 19.111 41.238 ( 11.476 5.279 -7.700) 14.794 42.123 ( -19.496 -6.158 4.439) 20.922 42.136 ( -20.161 -7.402 -1.732) 21.547 ======================= Grid point 155 (73/96) ======================= q-point: ( 0.00 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 1.470 31.242 11.284) 33.250 1.862 ( -3.213 19.495 -16.692) 25.865 1.912 ( 4.993 22.619 13.492) 26.806 2.165 ( -4.765 9.673 -11.148) 15.509 2.481 ( 1.426 16.352 -0.492) 16.421 2.530 ( -2.397 13.416 -6.765) 15.215 3.075 ( 1.287 6.594 3.167) 7.427 3.108 ( 1.246 11.121 -0.331) 11.196 3.202 ( -0.977 7.314 4.147) 8.465 3.270 ( 1.643 10.039 -3.093) 10.633 3.449 ( -2.174 -2.853 5.543) 6.602 3.544 ( -2.374 -3.591 -3.017) 5.256 3.658 ( 3.684 0.646 5.892) 6.979 3.725 ( -1.474 4.100 0.563) 4.393 4.006 ( 2.313 17.424 15.666) 23.545 4.213 ( 0.226 25.547 -1.117) 25.573 4.303 ( -3.380 19.773 -2.751) 20.248 4.340 ( 1.263 13.152 -8.396) 15.655 4.474 ( -4.490 0.372 0.368) 4.520 4.496 ( 1.209 -3.020 -0.987) 3.399 4.739 ( 2.256 4.915 8.466) 10.046 4.850 ( 2.764 10.609 -3.108) 11.395 5.055 ( 7.146 21.897 2.621) 23.182 5.147 ( -3.647 7.122 -2.250) 8.311 5.251 ( -1.686 11.423 -2.680) 11.854 5.308 ( -7.154 7.628 -4.971) 11.579 5.866 ( 12.339 2.134 8.520) 15.146 6.012 ( -7.713 9.179 -5.312) 13.113 6.293 ( 10.663 12.478 6.135) 17.523 6.447 ( -17.761 12.343 -8.866) 23.375 6.656 ( 9.285 -8.192 7.161) 14.303 6.807 ( -7.402 -6.183 -7.730) 12.360 7.247 ( 12.750 17.521 10.060) 23.891 7.422 ( -1.966 12.231 -5.129) 13.408 7.896 ( -1.838 11.357 -2.448) 11.763 7.968 ( -8.775 7.695 -7.921) 14.105 8.581 ( 1.699 -1.761 3.629) 4.377 8.645 ( 0.731 -2.242 -3.295) 4.052 9.042 ( 0.336 -2.745 2.541) 3.756 9.076 ( -1.592 -1.828 -1.829) 3.037 9.318 ( -0.262 -2.141 5.757) 6.148 9.417 ( 0.879 -1.855 -3.687) 4.220 9.621 ( 2.471 3.762 5.550) 7.146 9.735 ( -3.372 0.844 -6.078) 7.002 10.092 ( 13.868 5.496 10.608) 18.304 10.145 ( 5.174 -0.600 5.154) 7.328 10.306 ( -7.353 -0.584 -5.065) 8.948 10.398 ( -11.485 2.327 -10.860) 15.977 11.083 ( 6.939 -3.745 6.838) 10.437 11.212 ( -6.618 -2.697 -6.361) 9.567 11.320 ( 3.150 -13.201 2.112) 13.735 11.356 ( -1.699 -13.449 -1.396) 13.628 12.053 ( 5.112 -3.736 1.260) 6.455 12.081 ( -5.941 -3.629 -1.751) 7.179 12.563 ( 8.825 6.032 3.259) 11.175 12.599 ( -3.904 9.115 0.863) 9.953 12.895 ( -2.353 -11.786 3.393) 12.488 13.012 ( -1.977 -8.020 -7.646) 11.255 14.198 ( 3.301 -10.192 5.794) 12.179 14.288 ( -2.921 -10.276 -3.552) 11.259 15.165 ( 5.711 -1.681 5.327) 7.988 15.278 ( -7.094 -2.737 -6.518) 10.015 15.709 ( 2.606 -9.710 3.518) 10.652 15.753 ( -1.209 -7.184 -1.094) 7.366 16.096 ( 4.089 -13.555 3.602) 14.609 16.175 ( -3.616 -8.258 -4.454) 10.055 16.277 ( 9.520 -11.974 8.966) 17.731 16.430 ( -8.212 -15.453 -6.755) 18.758 16.841 ( 5.204 -10.791 2.162) 12.174 16.899 ( -5.664 -10.803 -3.273) 12.629 17.298 ( 0.271 -7.642 4.076) 8.665 17.343 ( 8.131 -5.356 4.016) 10.532 17.423 ( -1.475 -4.785 -2.532) 5.611 17.561 ( -11.083 -10.915 -11.850) 19.555 18.455 ( 12.391 6.045 5.759) 14.941 18.547 ( -8.950 10.481 -4.714) 14.566 19.356 ( 6.451 15.770 9.508) 19.512 19.476 ( -2.235 13.981 -3.820) 14.665 19.738 ( 4.936 12.631 2.465) 13.783 19.862 ( -10.203 14.683 -9.926) 20.451 20.464 ( -0.517 2.489 1.505) 2.954 20.499 ( 0.167 2.809 -2.222) 3.585 20.896 ( 7.060 -4.979 3.411) 9.288 20.949 ( -5.732 -5.027 -2.318) 7.969 21.285 ( -1.111 -1.913 0.514) 2.271 21.303 ( 0.824 -1.285 -1.307) 2.010 21.686 ( -2.431 -5.871 2.424) 6.801 21.720 ( 1.485 -1.450 -1.047) 2.325 21.866 ( 3.451 -11.977 3.905) 13.062 21.921 ( -3.468 -11.861 -0.716) 12.378 22.321 ( 9.602 -0.860 7.430) 12.171 22.438 ( -4.651 -0.321 -5.111) 6.917 22.704 ( 5.178 -19.312 4.701) 20.539 22.804 ( -7.331 -21.988 -5.393) 23.797 23.012 ( 3.431 -7.559 2.575) 8.691 23.056 ( -5.841 -6.733 -2.412) 9.234 23.684 ( 8.049 2.802 8.460) 12.009 23.834 ( -6.135 2.299 -7.574) 10.014 24.226 ( 1.908 3.121 0.772) 3.739 24.282 ( -0.949 2.910 -4.417) 5.373 24.364 ( -3.342 -3.585 3.155) 5.829 24.395 ( 4.526 3.512 -0.279) 5.736 24.483 ( 3.278 6.068 5.414) 8.768 24.625 ( -6.346 0.087 -8.683) 10.755 25.186 ( 4.269 2.398 15.489) 16.244 25.382 ( -4.896 -1.788 -2.011) 5.587 25.590 ( -0.646 0.196 -1.233) 1.406 25.662 ( 2.213 4.250 -9.591) 10.721 29.232 ( -3.782 5.256 0.405) 6.488 29.259 ( 4.194 6.805 -2.552) 8.391 29.855 ( -1.902 3.100 2.711) 4.536 29.870 ( 1.388 4.839 0.944) 5.121 30.458 ( -3.712 1.681 2.396) 4.727 30.517 ( 2.250 1.647 -3.579) 4.537 30.939 ( 1.286 1.410 0.657) 2.018 30.955 ( -0.841 -0.043 -0.916) 1.245 37.059 ( 2.353 9.360 5.126) 10.928 37.146 ( -3.965 7.646 -2.850) 9.072 37.252 ( 4.893 9.226 3.665) 11.068 37.386 ( -4.056 5.782 -8.958) 11.407 38.039 ( 4.001 9.914 6.391) 12.456 38.157 ( -2.182 11.500 -5.077) 12.759 38.600 ( 4.396 17.931 9.780) 20.892 38.815 ( -13.337 20.414 -13.435) 27.840 39.262 ( 5.441 1.678 0.765) 5.745 39.301 ( -5.847 3.935 -3.495) 7.866 40.241 ( 20.331 -7.962 7.248) 23.006 40.369 ( -9.511 -7.040 -7.070) 13.784 41.323 ( -4.745 5.775 10.632) 12.997 41.490 ( 10.081 -0.372 -2.350) 10.358 41.668 ( 1.513 -8.072 -1.907) 8.431 41.702 ( -3.475 -4.492 -4.054) 6.978 ======================= Grid point 156 (74/96) ======================= q-point: ( 0.17 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 1.832 23.249 -11.336) 25.930 1.779 ( 7.830 31.437 11.331) 34.321 2.076 ( 7.861 16.792 -6.875) 19.774 2.269 ( 12.766 6.251 4.386) 14.876 2.413 ( 0.584 20.908 2.922) 21.119 2.605 ( 5.764 6.587 2.546) 9.116 3.009 ( -9.401 10.713 -0.668) 14.269 3.080 ( -2.099 7.918 -2.203) 8.483 3.159 ( -5.870 5.684 1.207) 8.260 3.258 ( -1.996 6.273 -0.110) 6.584 3.341 ( -4.521 -0.369 0.969) 4.639 3.582 ( -8.650 5.334 -0.753) 10.190 3.640 ( 5.833 0.957 2.071) 6.263 3.810 ( 3.752 2.809 0.969) 4.786 4.032 ( -11.845 24.589 -5.161) 27.776 4.123 ( -1.544 17.324 6.542) 18.582 4.170 ( 1.196 12.366 -0.655) 12.441 4.397 ( 1.592 1.412 -2.011) 2.927 4.463 ( 4.379 8.472 0.053) 9.537 4.644 ( 4.196 7.049 3.532) 8.931 4.768 ( 1.137 10.466 -2.941) 10.931 4.930 ( 5.044 3.406 -1.867) 6.366 4.978 ( -1.238 23.701 -5.081) 24.271 5.153 ( -5.628 -6.964 -4.937) 10.225 5.286 ( 6.009 7.022 5.542) 10.777 5.358 ( 7.807 18.313 6.553) 20.959 5.720 ( -6.517 12.742 -3.426) 14.717 6.037 ( -7.189 12.505 0.023) 14.425 6.161 ( -3.229 4.422 1.673) 5.725 6.552 ( -9.548 -8.539 -7.252) 14.720 6.687 ( 16.316 9.578 8.138) 20.595 6.847 ( 3.160 -3.090 3.895) 5.891 7.143 ( -11.399 21.226 -11.312) 26.617 7.445 ( 3.502 8.886 -2.091) 9.777 7.904 ( 4.965 9.089 6.509) 12.233 8.092 ( 10.955 10.632 6.932) 16.766 8.536 ( -3.956 -2.308 -1.773) 4.911 8.632 ( -0.406 0.621 -0.983) 1.232 9.025 ( -1.318 -4.189 0.185) 4.395 9.119 ( 2.497 0.625 2.027) 3.276 9.322 ( -2.210 -3.107 -1.731) 4.187 9.401 ( 0.656 -2.620 0.047) 2.702 9.552 ( -6.397 -1.240 -0.920) 6.581 9.758 ( 0.608 8.868 2.029) 9.117 9.952 ( -12.416 2.980 -11.065) 16.896 10.098 ( -5.547 -1.399 -3.956) 6.955 10.405 ( 8.806 -1.999 4.055) 9.899 10.483 ( 10.725 3.021 11.400) 15.941 11.028 ( -6.986 -4.997 -6.307) 10.656 11.188 ( -4.585 -7.799 2.508) 9.389 11.334 ( 2.945 -8.021 0.962) 8.598 11.351 ( 0.156 -10.970 -0.312) 10.975 11.922 ( -7.209 -3.345 0.274) 7.952 12.204 ( 6.875 -5.206 1.259) 8.716 12.418 ( -7.649 3.373 -2.470) 8.717 12.674 ( -2.280 4.910 -3.748) 6.584 12.937 ( 3.677 -3.933 3.499) 6.421 13.026 ( 4.946 -10.160 2.143) 11.501 14.199 ( -2.486 -6.570 -4.256) 8.213 14.296 ( 2.298 -14.009 3.668) 14.662 15.140 ( -2.586 -0.054 -3.930) 4.705 15.351 ( 8.186 -2.585 5.852) 10.389 15.698 ( -1.508 -11.161 -1.683) 11.387 15.763 ( -0.577 -5.810 -1.234) 5.967 16.073 ( -2.041 -15.556 -2.600) 15.903 16.183 ( -0.412 -11.135 1.019) 11.189 16.206 ( -5.729 -3.068 -5.913) 8.786 16.513 ( 7.384 -22.417 5.043) 24.135 16.777 ( -3.065 -8.448 -0.315) 8.993 16.947 ( 1.749 -8.882 0.960) 9.104 17.259 ( -5.648 -11.845 -4.290) 13.806 17.344 ( 1.711 -5.922 -1.668) 6.386 17.428 ( 1.207 -5.790 1.435) 6.086 17.649 ( 12.547 -4.558 11.730) 17.771 18.298 ( -12.479 1.660 -7.555) 14.682 18.660 ( 6.484 14.106 1.914) 15.643 19.297 ( -7.241 16.367 -7.147) 19.271 19.500 ( 1.916 11.615 1.526) 11.871 19.678 ( -3.372 12.003 -1.196) 12.525 19.972 ( 11.661 15.565 8.207) 21.109 20.449 ( -1.777 1.768 0.632) 2.585 20.497 ( 0.481 3.562 -0.068) 3.595 20.761 ( -10.525 -3.985 -2.712) 11.576 20.969 ( -1.339 -5.031 0.373) 5.220 21.264 ( 0.539 0.301 0.343) 0.706 21.389 ( 5.664 -3.622 0.950) 6.790 21.651 ( 0.214 -2.625 -0.014) 2.633 21.817 ( 5.200 -5.117 1.995) 7.563 21.849 ( -1.225 -8.159 -4.313) 9.310 21.960 ( 3.042 -14.909 3.420) 15.595 22.232 ( -8.511 0.377 -7.227) 11.172 22.415 ( -5.998 -6.398 -1.639) 8.922 22.678 ( 0.707 -13.434 0.617) 13.467 22.828 ( 1.208 -19.424 4.486) 19.972 22.999 ( 0.193 -9.361 -0.080) 9.363 23.166 ( 9.380 -6.069 3.757) 11.787 23.640 ( -7.031 4.068 -9.035) 12.150 23.875 ( 6.148 2.037 5.888) 8.753 24.194 ( -3.494 4.043 -2.132) 5.753 24.259 ( -1.978 1.227 -1.597) 2.823 24.281 ( -3.129 4.626 2.755) 6.228 24.451 ( -3.201 -0.554 -6.712) 7.457 24.500 ( 3.325 3.686 -0.639) 5.005 24.644 ( 5.799 -2.215 9.538) 11.380 25.042 ( -14.409 1.573 -1.434) 14.565 25.446 ( -0.825 1.696 1.963) 2.723 25.619 ( 3.270 2.506 -0.842) 4.205 25.707 ( 9.960 -2.297 -0.985) 10.269 29.143 ( -3.842 4.064 1.211) 5.722 29.357 ( 5.307 6.062 -3.000) 8.597 29.790 ( -2.667 4.352 1.643) 5.363 29.985 ( 6.119 2.809 0.191) 6.735 30.424 ( -2.598 2.345 4.373) 5.601 30.554 ( 3.723 0.856 -1.652) 4.162 30.911 ( -1.710 0.863 -0.636) 2.018 30.990 ( 2.476 1.326 -0.259) 2.820 37.030 ( -3.797 8.456 -1.257) 9.354 37.202 ( 1.442 12.172 -0.744) 12.280 37.219 ( 0.060 4.164 -0.859) 4.252 37.405 ( 5.543 7.637 3.906) 10.213 37.997 ( -7.297 12.419 -4.788) 15.179 38.143 ( 0.684 11.333 2.376) 11.599 38.526 ( -8.244 16.831 -1.024) 18.769 38.832 ( 2.458 20.907 14.396) 25.503 39.194 ( -2.792 2.801 -2.048) 4.454 39.398 ( 6.503 4.321 1.003) 7.872 39.811 ( -24.552 0.141 -13.597) 28.066 40.580 ( 4.473 -9.376 -0.747) 10.415 41.019 ( -14.960 2.155 2.234) 15.278 41.378 ( -10.548 -3.667 -7.789) 13.616 41.915 ( 18.895 -5.266 1.494) 19.672 42.051 ( 23.140 -8.339 -3.050) 24.785 ======================= Grid point 157 (75/96) ======================= q-point: ( 0.33 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 7.139 21.907 -5.213) 23.623 1.979 ( 8.060 31.301 -3.527) 32.514 2.237 ( 8.700 14.378 3.948) 17.263 2.323 ( 4.048 19.748 -0.430) 20.163 2.652 ( 9.669 5.140 4.680) 11.908 2.725 ( 2.168 2.424 5.911) 6.746 2.832 ( -9.149 12.758 1.533) 15.774 2.944 ( -8.283 5.794 -0.066) 10.108 3.052 ( -5.893 12.397 -4.552) 14.461 3.191 ( -4.446 11.257 0.050) 12.103 3.366 ( 4.087 1.067 5.303) 6.780 3.446 ( -5.458 7.059 4.249) 9.883 3.712 ( 0.424 2.129 -1.107) 2.437 3.838 ( 0.490 19.188 -3.320) 19.479 3.871 ( -1.741 2.724 -0.581) 3.284 4.130 ( 2.265 14.385 -6.041) 15.766 4.240 ( 3.893 1.779 0.032) 4.280 4.356 ( -3.502 2.832 -4.223) 6.174 4.474 ( -7.895 7.350 -1.225) 10.856 4.617 ( -1.377 9.222 0.394) 9.333 4.837 ( 3.017 5.541 -4.283) 7.625 4.866 ( 1.923 23.348 -0.207) 23.428 5.016 ( -0.650 -3.094 -5.897) 6.691 5.079 ( 6.807 10.462 4.071) 13.129 5.359 ( -1.240 2.817 1.705) 3.518 5.598 ( 11.669 14.011 8.481) 20.110 5.697 ( -4.611 23.677 0.994) 24.142 5.972 ( -1.968 0.731 0.185) 2.108 6.038 ( -7.205 11.882 -1.222) 13.950 6.469 ( 4.038 -6.120 3.099) 7.960 6.677 ( -11.918 10.136 -11.389) 19.352 6.860 ( 0.469 6.144 -1.348) 6.308 7.108 ( 5.624 13.449 6.263) 15.866 7.610 ( 14.221 1.184 6.060) 15.504 7.944 ( -8.709 6.368 -3.138) 11.236 8.211 ( 0.197 14.659 3.152) 14.996 8.552 ( 4.874 -0.878 0.826) 5.021 8.616 ( -1.351 5.990 -2.309) 6.560 8.963 ( -2.852 -7.512 -2.954) 8.561 9.157 ( -3.568 5.306 -0.014) 6.394 9.262 ( -1.564 -2.085 2.596) 3.678 9.412 ( 0.023 -3.903 -2.850) 4.832 9.526 ( 1.586 -4.779 0.476) 5.058 9.566 ( -4.163 6.142 -3.230) 8.092 9.979 ( 6.165 5.088 7.668) 11.077 10.003 ( -0.523 -1.026 0.403) 1.220 10.501 ( -3.175 -3.072 -3.699) 5.762 10.643 ( -0.686 0.920 -0.340) 1.197 10.905 ( 0.798 -1.441 -0.926) 1.889 11.069 ( -7.022 -9.451 2.766) 12.094 11.349 ( 2.182 -10.057 1.786) 10.444 11.410 ( 1.317 -4.077 -1.312) 4.480 11.853 ( -2.064 -2.854 4.126) 5.425 12.230 ( -3.614 -4.048 -6.615) 8.556 12.384 ( 3.637 -3.774 3.648) 6.386 12.620 ( 0.329 3.165 2.585) 4.100 12.981 ( 0.363 -2.359 -1.602) 2.875 13.118 ( 1.174 -7.781 1.496) 8.010 14.148 ( 0.509 -6.490 -2.850) 7.106 14.314 ( -2.213 -16.292 -0.363) 16.445 15.126 ( 2.495 1.938 0.076) 3.160 15.465 ( -0.379 -1.076 -1.045) 1.547 15.642 ( -3.839 -10.816 -5.361) 12.667 15.709 ( 0.532 -9.840 -0.526) 9.868 16.066 ( -0.869 -8.012 -1.590) 8.214 16.113 ( 5.099 -12.748 2.995) 14.053 16.219 ( -0.022 -3.035 1.255) 3.284 16.561 ( -3.116 -20.643 -3.541) 21.175 16.790 ( 1.305 -14.099 3.384) 14.558 16.959 ( 0.904 -4.584 1.239) 4.833 17.185 ( 1.563 -14.463 -0.349) 14.552 17.395 ( 1.941 -8.407 -0.718) 8.658 17.443 ( -1.452 -5.947 0.912) 6.190 17.855 ( -7.142 7.629 -2.511) 10.747 18.134 ( 7.673 -8.352 7.302) 13.489 18.716 ( -1.126 17.965 -0.803) 18.018 19.199 ( 3.387 15.488 -3.166) 16.167 19.530 ( 0.550 9.802 -0.396) 9.826 19.647 ( -1.253 10.407 2.926) 10.883 20.129 ( -1.748 15.746 -1.261) 15.893 20.414 ( -1.182 1.184 -0.446) 1.731 20.497 ( -2.370 3.486 -0.164) 4.218 20.628 ( -1.125 -2.023 3.989) 4.612 20.894 ( -3.766 -3.946 -3.568) 6.518 21.292 ( 1.299 1.077 1.979) 2.601 21.462 ( 0.247 -3.400 -0.178) 3.414 21.698 ( 5.144 -1.063 -1.502) 5.463 21.784 ( -0.204 -6.542 -3.830) 7.583 21.939 ( 3.967 -3.551 -0.498) 5.348 22.038 ( 0.194 -16.880 2.748) 17.103 22.077 ( 1.274 -1.864 -0.904) 2.432 22.329 ( -1.495 -12.078 5.490) 13.352 22.688 ( -1.579 -4.368 -1.632) 4.923 22.812 ( -4.330 -19.732 0.158) 20.202 23.011 ( -0.018 -8.467 -0.490) 8.482 23.283 ( -1.951 -3.465 -5.226) 6.567 23.533 ( 5.878 4.699 -0.255) 7.530 23.990 ( 0.928 3.739 3.371) 5.119 24.118 ( -3.496 2.792 -1.532) 4.729 24.187 ( -0.903 5.563 -2.802) 6.294 24.281 ( -0.432 -0.580 2.448) 2.552 24.370 ( -0.991 4.956 -2.332) 5.567 24.500 ( -2.133 5.536 -2.416) 6.406 24.782 ( -10.487 3.753 -5.872) 12.591 24.861 ( 7.625 -10.143 12.669) 17.931 25.392 ( -2.781 -1.021 -3.246) 4.395 25.686 ( 4.533 3.710 2.768) 6.478 25.873 ( 5.025 -10.689 0.701) 11.833 29.117 ( -1.150 2.385 2.683) 3.770 29.349 ( -0.950 5.156 -7.588) 9.223 29.819 ( 2.666 4.850 4.669) 7.241 30.062 ( 2.186 0.379 -1.599) 2.735 30.440 ( -0.652 2.688 6.408) 6.980 30.600 ( 2.315 0.358 -1.896) 3.013 30.895 ( 0.199 2.289 1.123) 2.558 31.018 ( 1.285 1.599 -1.763) 2.705 36.965 ( -1.878 8.164 -1.419) 8.496 37.069 ( -4.661 8.668 -5.209) 11.136 37.416 ( 11.164 11.581 5.770) 17.090 37.530 ( 3.220 7.706 6.780) 10.757 37.840 ( -5.244 12.927 -4.379) 14.621 38.123 ( -5.317 10.701 0.376) 11.955 38.409 ( -4.929 11.721 -0.749) 12.738 38.689 ( -20.223 26.928 -2.258) 33.752 39.227 ( 3.641 5.722 3.949) 7.848 39.408 ( 3.710 1.050 -1.911) 4.303 39.686 ( 8.886 4.777 2.710) 10.446 40.474 ( -11.232 -4.619 -4.577) 12.979 40.867 ( -6.796 -1.608 6.511) 9.548 41.211 ( 1.627 -3.937 -15.398) 15.977 42.182 ( 8.825 -7.123 3.967) 12.015 42.336 ( 11.236 -9.545 -4.923) 15.543 ======================= Grid point 158 (76/96) ======================= q-point: (-0.50 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 5.613 19.678 0.457) 20.468 1.953 ( -3.726 27.813 -10.677) 30.024 2.353 ( -1.162 21.437 6.945) 22.564 2.437 ( 4.552 12.871 -2.612) 13.900 2.716 ( -2.376 7.091 2.387) 7.850 2.742 ( -1.335 4.045 -0.779) 4.330 2.755 ( -0.287 8.576 5.051) 9.957 2.906 ( 0.618 13.996 -5.348) 14.996 2.972 ( 1.203 5.433 8.129) 9.851 3.117 ( -2.730 13.194 -2.454) 13.695 3.448 ( 0.013 -0.742 7.137) 7.176 3.513 ( 3.938 4.206 4.343) 7.215 3.696 ( -6.320 2.337 6.712) 9.511 3.789 ( -0.417 5.265 -4.555) 6.974 3.881 ( 5.586 8.704 -4.963) 11.472 3.966 ( -7.154 12.794 -10.721) 18.161 4.222 ( -5.574 6.755 3.507) 9.434 4.299 ( 2.363 13.903 -4.961) 14.949 4.488 ( 6.206 5.974 3.516) 9.304 4.570 ( -2.749 5.261 -4.388) 7.382 4.824 ( 0.547 17.144 0.922) 17.177 4.866 ( -2.422 14.597 -2.839) 15.067 5.137 ( 6.837 -1.054 0.793) 6.964 5.165 ( -3.165 -1.507 -1.726) 3.907 5.346 ( 5.059 11.490 8.004) 14.889 5.509 ( -9.090 18.657 -7.666) 22.124 5.884 ( 4.920 18.444 5.166) 19.775 5.943 ( 3.356 15.538 6.230) 17.074 5.992 ( 1.162 4.446 5.572) 7.222 6.294 ( -11.498 13.754 -18.105) 25.479 6.701 ( 10.602 -6.519 7.985) 14.787 6.816 ( -5.493 -3.550 -4.324) 7.840 7.370 ( 15.515 12.961 11.087) 23.057 7.585 ( -16.733 8.220 -11.405) 21.855 7.965 ( 13.231 -3.379 7.779) 15.715 8.091 ( -11.982 2.832 -5.684) 13.561 8.622 ( 2.823 11.975 3.028) 12.670 8.643 ( 1.862 9.340 1.702) 9.675 8.940 ( -4.469 -2.209 -4.036) 6.414 8.957 ( -1.238 -5.851 -4.486) 7.476 9.308 ( 0.578 2.226 5.724) 6.169 9.369 ( -1.155 -0.660 -0.749) 1.527 9.555 ( -2.590 -2.678 1.256) 3.931 9.611 ( 5.409 -0.275 -4.121) 6.805 10.052 ( 7.580 1.375 6.506) 10.083 10.185 ( -4.354 -1.633 -3.331) 5.720 10.332 ( 3.330 4.814 6.496) 8.744 10.507 ( -8.739 1.926 -7.996) 12.001 11.015 ( 4.150 -7.286 1.896) 8.597 11.025 ( 0.616 -4.519 0.780) 4.627 11.369 ( -1.322 -8.718 0.744) 8.849 11.390 ( -0.544 -7.312 -1.566) 7.498 11.919 ( 3.470 0.254 7.563) 8.325 12.075 ( -4.347 0.456 -8.776) 9.804 12.539 ( 6.803 -7.482 6.546) 12.046 12.620 ( -3.518 -4.328 -1.227) 5.711 13.018 ( 4.513 -1.371 1.190) 4.865 13.055 ( -5.898 -3.116 -2.678) 7.187 14.184 ( 3.950 -9.621 0.982) 10.447 14.223 ( -5.201 -14.052 -2.807) 15.245 15.222 ( 6.081 -0.979 4.092) 7.395 15.320 ( -8.241 -2.555 -6.096) 10.564 15.627 ( 2.558 -9.082 0.751) 9.465 15.671 ( -2.714 -8.540 -3.676) 9.686 16.132 ( 4.809 -10.205 3.685) 11.868 16.192 ( -3.140 -8.355 -2.130) 9.176 16.274 ( 7.557 -7.232 5.826) 11.973 16.394 ( -8.107 -8.536 -6.890) 13.640 16.871 ( 3.581 -16.801 4.766) 17.827 16.945 ( -2.780 -11.685 -2.657) 12.301 17.299 ( 5.614 -10.934 4.046) 12.940 17.359 ( -2.935 -9.433 -2.343) 10.153 17.477 ( 6.258 -4.414 3.462) 8.404 17.581 ( -11.983 -2.248 -7.246) 14.183 18.439 ( 10.671 5.013 11.180) 16.248 18.615 ( -6.283 11.402 -7.045) 14.803 19.341 ( 8.880 13.927 3.569) 16.898 19.434 ( -8.447 11.387 -5.981) 15.388 19.749 ( 7.399 11.428 9.647) 16.686 19.934 ( -9.313 12.211 -9.406) 18.009 20.434 ( 0.877 2.552 0.672) 2.781 20.442 ( -0.487 3.111 -0.320) 3.165 20.711 ( 3.330 -1.693 5.095) 6.318 20.805 ( -2.401 -2.521 -4.889) 6.002 21.337 ( 0.128 -0.571 4.485) 4.523 21.420 ( -0.862 -1.993 -3.791) 4.369 21.744 ( -2.765 -1.905 -0.852) 3.464 21.756 ( 2.320 -0.037 -1.933) 3.020 21.972 ( -2.834 -10.331 1.196) 10.780 21.993 ( 0.783 -6.358 -0.607) 6.435 22.278 ( 10.088 -5.160 7.543) 13.612 22.395 ( -0.273 -13.085 -2.175) 13.268 22.620 ( -0.187 -9.281 2.590) 9.637 22.702 ( -5.365 -18.462 -3.751) 19.588 23.024 ( 2.209 -5.117 2.711) 6.197 23.114 ( -6.399 -1.686 -6.918) 9.573 23.760 ( 12.383 3.080 5.631) 13.948 23.864 ( -11.407 3.190 -5.153) 12.917 24.108 ( -0.147 3.763 2.192) 4.358 24.170 ( 1.180 4.939 -4.317) 6.665 24.330 ( 2.507 2.732 3.067) 4.812 24.359 ( -0.103 6.617 -0.791) 6.664 24.460 ( 1.161 4.052 2.894) 5.113 24.571 ( -6.326 4.032 -6.984) 10.249 25.099 ( 6.042 -10.120 12.251) 17.000 25.287 ( -4.484 -4.205 -7.513) 9.708 25.798 ( 1.104 -3.610 5.210) 6.433 25.892 ( 1.280 -9.571 -4.112) 10.495 29.141 ( 0.787 3.121 4.306) 5.376 29.253 ( -1.470 4.699 -7.777) 9.204 29.918 ( 1.539 3.406 6.981) 7.919 30.028 ( -2.183 1.097 -4.462) 5.087 30.494 ( 0.068 2.284 6.554) 6.941 30.597 ( 0.512 1.219 -4.158) 4.363 30.933 ( 1.093 1.999 3.381) 4.077 31.001 ( -0.634 1.864 -3.507) 4.022 36.946 ( -0.358 9.245 0.330) 9.257 36.974 ( -1.011 9.354 -3.021) 9.882 37.614 ( 1.879 11.111 5.572) 12.571 37.710 ( -3.587 14.827 -3.350) 15.618 37.735 ( 12.215 10.873 9.320) 18.823 37.922 ( -8.912 7.495 -9.142) 14.805 38.375 ( 1.602 16.259 2.002) 16.460 38.432 ( -4.746 20.670 -3.847) 21.554 39.326 ( 2.624 4.234 5.634) 7.520 39.439 ( -0.549 3.564 -5.687) 6.734 39.956 ( 13.573 1.745 12.089) 18.259 40.196 ( -10.310 -0.133 -12.377) 16.109 40.850 ( -5.041 -1.120 12.366) 13.401 41.136 ( 5.122 -5.079 -18.121) 19.504 42.292 ( -1.362 -7.185 5.529) 9.168 42.393 ( 0.481 -9.463 -5.166) 10.792 ======================= Grid point 159 (77/96) ======================= q-point: (-0.33 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -10.491 28.377 -3.422) 30.447 1.916 ( -1.117 23.142 0.118) 23.170 2.290 ( -7.441 26.749 0.448) 27.768 2.407 ( -2.188 5.207 -6.715) 8.774 2.666 ( -8.364 13.796 3.770) 16.568 2.739 ( 2.042 -0.650 0.798) 2.286 2.903 ( 1.219 10.539 -0.695) 10.632 2.923 ( 8.481 12.741 3.185) 15.633 3.010 ( 4.120 15.893 -3.171) 16.722 3.112 ( 1.482 7.911 4.980) 9.464 3.499 ( -3.712 6.039 -3.240) 7.794 3.529 ( -1.448 -0.173 -2.454) 2.855 3.566 ( 2.887 2.691 4.454) 5.951 3.754 ( -9.354 15.591 5.807) 19.087 3.938 ( -1.516 -0.254 -4.178) 4.452 3.970 ( 6.781 5.919 8.770) 12.566 4.225 ( 5.318 5.489 2.778) 8.132 4.314 ( 3.988 19.993 -1.391) 20.434 4.502 ( 3.900 10.728 -3.395) 11.909 4.600 ( -1.033 4.380 0.757) 4.564 4.772 ( -2.581 3.896 2.790) 5.443 4.910 ( 1.604 16.039 -0.653) 16.132 4.933 ( -8.956 0.551 -0.866) 9.015 5.167 ( -7.983 8.571 -4.332) 12.488 5.404 ( 2.750 7.172 -3.141) 8.299 5.576 ( 5.221 10.821 10.072) 15.678 5.806 ( -6.654 29.954 -9.758) 32.198 5.987 ( 0.885 6.421 0.117) 6.483 6.007 ( 2.376 2.128 0.061) 3.191 6.427 ( 16.858 12.935 10.865) 23.866 6.595 ( -7.551 -4.344 -6.323) 10.765 6.878 ( 2.631 -2.134 -1.182) 3.588 7.224 ( -10.973 12.818 -6.960) 18.252 7.744 ( -8.364 0.367 -5.888) 10.236 7.800 ( 8.940 7.670 9.619) 15.208 8.244 ( 7.664 6.979 1.478) 10.470 8.551 ( -2.044 4.659 0.857) 5.159 8.653 ( -5.988 6.037 -7.378) 11.257 8.873 ( 2.880 -5.036 6.346) 8.598 9.112 ( 10.342 0.340 3.005) 10.775 9.325 ( -1.515 -1.274 3.992) 4.456 9.351 ( -0.520 1.042 -2.790) 3.023 9.498 ( -1.123 5.289 1.962) 5.752 9.602 ( -2.855 -9.803 -5.776) 11.731 10.017 ( -2.635 4.860 -3.306) 6.441 10.165 ( -8.638 0.196 -7.287) 11.303 10.398 ( 8.991 1.147 5.294) 10.497 10.555 ( 6.900 1.012 8.270) 10.818 10.929 ( -4.497 -1.301 -2.961) 5.539 11.134 ( 5.671 -9.105 -3.442) 11.265 11.365 ( -0.625 -7.461 2.398) 7.862 11.383 ( -0.630 -8.175 -0.487) 8.214 11.954 ( -0.881 -0.858 -6.188) 6.309 12.084 ( 6.471 -0.334 7.835) 10.167 12.464 ( -6.193 -2.544 -4.082) 7.841 12.677 ( -0.833 -0.856 -2.545) 2.811 12.923 ( -2.009 -4.302 3.528) 5.915 13.137 ( 3.565 -5.557 0.101) 6.603 14.115 ( -3.670 -11.006 0.073) 11.602 14.288 ( 4.362 -13.700 2.042) 14.522 15.151 ( -5.560 0.120 -2.672) 6.169 15.394 ( 6.912 -2.540 5.726) 9.328 15.600 ( -1.493 -10.157 -0.986) 10.313 15.682 ( 1.428 -7.934 1.422) 8.185 16.087 ( -4.046 -11.147 -3.086) 12.254 16.183 ( -7.523 -7.596 -4.164) 11.473 16.228 ( 2.232 -6.546 0.494) 6.934 16.473 ( 7.076 -11.515 5.169) 14.470 16.855 ( -3.017 -18.725 -3.413) 19.271 16.957 ( 1.421 -7.927 2.061) 8.313 17.217 ( -6.097 -13.609 -3.258) 15.264 17.385 ( -3.224 -6.111 -0.481) 6.926 17.453 ( 4.268 -5.665 -0.019) 7.093 17.727 ( 13.558 -0.441 8.665) 16.096 18.353 ( -12.860 0.822 -12.855) 18.202 18.665 ( 6.299 14.603 5.154) 16.718 19.190 ( -10.367 14.568 -2.717) 18.086 19.492 ( 3.480 11.822 2.702) 12.617 19.752 ( -2.905 10.095 -7.028) 12.639 20.026 ( 10.927 13.783 8.903) 19.715 20.411 ( -0.232 1.736 -0.141) 1.757 20.504 ( 3.783 4.209 -0.632) 5.695 20.719 ( -1.813 -2.043 -5.059) 5.749 20.820 ( 4.848 -3.888 3.847) 7.309 21.318 ( -3.155 0.000 0.127) 3.157 21.441 ( 2.550 -2.385 1.281) 3.719 21.682 ( -3.473 -2.781 0.081) 4.450 21.739 ( -3.571 -2.166 0.397) 4.195 21.908 ( -2.852 -5.508 1.983) 6.512 22.009 ( -0.422 -6.929 2.130) 7.261 22.204 ( -9.204 -11.366 -10.087) 17.766 22.428 ( 2.095 -11.579 -3.193) 12.193 22.640 ( 1.764 -4.966 2.741) 5.940 22.775 ( 7.041 -21.447 4.228) 22.966 23.009 ( -1.443 -6.105 -0.762) 6.320 23.148 ( 5.872 -1.019 7.435) 9.528 23.589 ( -12.354 3.204 -5.441) 13.875 24.005 ( 8.723 3.366 3.369) 9.938 24.099 ( -1.230 1.320 0.119) 1.808 24.157 ( 0.633 7.806 -1.070) 7.904 24.336 ( 0.496 -2.958 -2.996) 4.240 24.375 ( 0.296 9.596 -1.950) 9.796 24.478 ( 0.612 4.332 -0.642) 4.422 24.622 ( 8.666 5.473 9.905) 14.253 25.078 ( -8.787 -6.251 -9.143) 14.138 25.285 ( 4.047 -5.870 7.519) 10.362 25.734 ( -6.239 -3.538 -0.906) 7.229 25.917 ( 1.140 -9.622 -4.139) 10.536 29.190 ( 0.595 4.161 -5.355) 6.808 29.219 ( 2.917 4.606 5.908) 8.039 29.886 ( -5.653 2.547 -1.255) 6.326 30.011 ( -0.880 2.222 2.830) 3.704 30.518 ( -1.672 2.452 2.135) 3.656 30.575 ( 0.420 0.580 -2.847) 2.936 30.931 ( -1.942 2.090 -1.737) 3.340 30.985 ( 0.386 1.304 0.936) 1.651 36.933 ( 0.165 9.100 1.165) 9.176 37.014 ( 4.226 9.328 1.121) 10.302 37.501 ( -10.812 13.788 -4.170) 18.011 37.646 ( -2.978 9.364 0.880) 9.865 37.802 ( 3.204 6.417 -6.044) 9.379 38.090 ( 11.221 8.793 5.093) 15.138 38.389 ( 2.451 14.096 0.695) 14.325 38.587 ( 22.466 27.672 6.856) 36.297 39.325 ( -4.400 3.193 -5.547) 7.767 39.378 ( -1.782 3.368 2.085) 4.343 39.869 ( -11.886 4.696 -16.477) 20.852 40.355 ( 17.743 -2.405 8.328) 19.748 40.832 ( -6.374 0.001 9.540) 11.474 41.142 ( 8.814 -3.339 -9.148) 13.135 42.216 ( -10.768 -7.079 3.262) 13.293 42.281 ( -9.919 -8.574 -2.263) 13.305 ======================= Grid point 160 (78/96) ======================= q-point: (-0.17 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -6.220 31.930 4.330) 32.817 1.856 ( -4.555 27.723 3.106) 28.266 2.088 ( -10.020 22.729 -9.287) 26.519 2.320 ( -1.443 1.815 -5.436) 5.910 2.512 ( -6.796 20.148 -1.267) 21.301 2.702 ( -5.756 9.079 -7.308) 12.999 2.964 ( 5.603 6.112 4.614) 9.489 3.041 ( 4.216 19.130 1.034) 19.616 3.171 ( 5.906 10.900 -0.601) 12.412 3.173 ( 3.038 9.099 7.385) 12.106 3.427 ( -0.100 -3.853 -4.999) 6.312 3.516 ( 2.969 5.681 4.336) 7.739 3.651 ( -0.177 0.004 0.784) 0.804 3.750 ( -1.648 3.590 8.701) 9.556 3.856 ( -2.706 10.971 6.616) 13.094 4.121 ( 5.617 16.987 2.694) 18.093 4.290 ( 4.360 11.844 -5.482) 13.760 4.398 ( 2.299 19.522 -0.568) 19.666 4.466 ( -2.759 -4.491 -0.463) 5.292 4.688 ( -4.098 3.068 2.873) 5.870 4.754 ( -6.479 8.819 -5.480) 12.239 4.832 ( -3.465 2.947 4.577) 6.453 4.905 ( 8.945 15.154 4.516) 18.168 5.074 ( 2.584 8.068 1.871) 8.676 5.380 ( -2.975 7.973 -3.944) 9.379 5.486 ( -8.049 2.448 -4.663) 9.619 5.727 ( -2.784 22.588 -4.043) 23.115 6.017 ( 4.270 9.594 2.980) 10.916 6.160 ( 7.394 6.471 1.846) 9.998 6.483 ( 2.770 -5.238 -0.106) 5.927 6.728 ( -0.486 7.975 1.975) 8.230 6.882 ( 3.224 3.714 -0.370) 4.932 7.086 ( -1.911 14.185 -2.734) 14.572 7.430 ( -8.495 7.018 -2.315) 11.260 8.036 ( 1.349 7.116 -3.653) 8.112 8.198 ( -7.110 12.857 -5.315) 15.624 8.501 ( -0.098 -3.634 -0.055) 3.635 8.637 ( 2.532 2.465 -0.008) 3.534 8.985 ( 2.904 -3.666 5.574) 7.276 9.153 ( -3.738 1.497 -0.499) 4.058 9.290 ( -0.535 -5.590 -3.323) 6.525 9.413 ( 2.224 -5.549 0.500) 5.999 9.510 ( 1.887 2.105 2.596) 3.839 9.701 ( 15.519 5.679 10.100) 19.368 9.912 ( -9.022 1.081 -7.663) 11.886 10.031 ( 2.848 4.101 2.527) 5.596 10.476 ( -4.176 -3.516 -2.434) 5.977 10.643 ( -3.825 1.315 -4.755) 6.242 10.926 ( 5.101 -2.286 4.302) 7.054 11.226 ( 6.045 -10.894 -1.791) 12.587 11.336 ( 0.192 -10.490 -0.010) 10.492 11.355 ( -3.613 -3.273 -0.131) 4.877 11.948 ( 4.178 -3.961 -2.538) 6.291 12.207 ( -2.190 -6.145 1.613) 6.720 12.394 ( 3.515 5.382 0.007) 6.428 12.598 ( -1.894 8.464 2.700) 9.084 12.956 ( -1.503 -8.804 0.997) 8.986 13.117 ( -2.407 -8.774 -5.493) 10.627 14.111 ( 0.868 -9.149 4.547) 10.253 14.337 ( 0.041 -14.567 -0.715) 14.585 15.089 ( -0.522 1.350 1.444) 2.045 15.442 ( -3.957 -1.737 -3.441) 5.524 15.640 ( 1.608 -10.754 4.138) 11.634 15.720 ( 3.191 -9.171 2.771) 10.098 16.062 ( -2.588 -14.543 -1.035) 14.807 16.080 ( 4.118 -7.101 4.240) 9.239 16.238 ( -0.201 -3.470 -2.375) 4.210 16.557 ( -1.443 -24.737 0.023) 24.779 16.807 ( -0.199 -8.939 -2.256) 9.221 16.956 ( -0.648 -5.812 -0.598) 5.878 17.172 ( 2.543 -16.062 3.610) 16.658 17.339 ( -3.310 -8.196 -0.007) 8.840 17.489 ( 0.482 -2.835 -3.968) 4.901 17.885 ( -9.213 3.919 -11.733) 15.424 18.156 ( 9.807 -6.174 6.100) 13.095 18.704 ( -3.835 16.574 -2.862) 17.252 19.146 ( 4.217 15.949 8.016) 18.342 19.519 ( -0.496 12.159 -0.819) 12.197 19.699 ( 0.913 10.727 -3.019) 11.181 20.109 ( -5.603 15.700 -4.665) 17.310 20.439 ( 1.907 2.137 1.312) 3.150 20.524 ( -0.281 3.328 -2.526) 4.188 20.729 ( 6.845 -3.989 0.422) 7.933 20.948 ( 5.071 -4.869 2.077) 7.331 21.272 ( -1.160 0.518 -0.417) 1.337 21.410 ( -6.413 -3.156 -0.983) 7.215 21.655 ( 1.111 -3.274 -0.498) 3.493 21.732 ( 0.337 -7.050 7.006) 9.945 21.854 ( -4.798 -2.624 -1.471) 5.663 22.004 ( -5.545 -17.780 -1.148) 18.661 22.091 ( 6.157 -1.842 6.253) 8.967 22.437 ( 4.381 -8.922 -3.310) 10.476 22.674 ( -1.344 -7.817 1.203) 8.023 22.878 ( 2.038 -21.728 -0.164) 21.824 22.994 ( -1.333 -7.870 0.072) 7.982 23.216 ( -6.389 -5.250 -1.322) 8.374 23.478 ( 4.315 5.704 7.057) 10.048 23.984 ( -4.325 1.901 -5.643) 7.360 24.169 ( 3.629 5.888 0.300) 6.924 24.236 ( 6.632 1.272 4.020) 7.859 24.318 ( 0.443 -1.911 -3.014) 3.597 24.376 ( 1.368 7.277 0.068) 7.405 24.485 ( -2.020 2.603 0.560) 3.342 24.832 ( -7.449 -2.855 -9.272) 12.231 24.896 ( 9.964 6.106 11.676) 16.520 25.401 ( 2.085 -1.878 6.054) 6.673 25.635 ( -2.838 -0.666 -1.686) 3.368 25.806 ( -6.431 -5.682 -9.566) 12.852 29.186 ( 3.021 4.569 -3.408) 6.451 29.299 ( -0.163 5.682 3.222) 6.534 29.805 ( -0.948 4.151 -0.353) 4.272 29.962 ( -6.510 2.502 2.697) 7.478 30.494 ( -1.332 2.452 -0.293) 2.806 30.543 ( -1.599 0.142 -2.412) 2.898 30.908 ( 0.914 2.153 -0.539) 2.401 30.984 ( -1.191 0.272 0.340) 1.269 36.977 ( 2.273 8.529 3.364) 9.446 37.118 ( 4.917 7.919 3.403) 9.923 37.297 ( -7.459 11.733 -4.830) 14.719 37.537 ( -4.558 6.277 -7.562) 10.833 37.893 ( 6.007 9.459 3.933) 11.876 38.187 ( 1.199 11.177 -0.499) 11.252 38.471 ( 3.786 14.477 3.663) 15.405 39.169 ( 13.069 14.422 -12.621) 23.197 39.194 ( -6.870 6.122 -7.431) 11.828 39.418 ( 13.547 7.364 1.112) 15.460 39.568 ( 3.856 4.837 6.699) 9.118 40.565 ( -2.503 -6.890 0.165) 7.333 40.948 ( 14.041 1.656 10.189) 17.427 41.305 ( 13.710 0.222 -0.864) 13.739 41.954 ( -20.520 -8.782 -2.430) 22.452 42.005 ( -17.589 -4.419 1.493) 18.197 ======================= Grid point 161 (79/96) ======================= q-point: ( 0.00 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 2.644 25.077 6.843) 26.128 2.241 ( -1.841 14.524 -1.952) 14.770 2.333 ( 0.601 14.285 -2.541) 14.522 2.381 ( -2.550 15.385 -2.200) 15.750 2.792 ( -2.843 10.263 -0.625) 10.668 2.883 ( 0.032 18.343 -8.213) 20.097 3.195 ( -0.955 4.123 6.283) 7.575 3.223 ( -3.619 1.926 3.147) 5.168 3.339 ( -3.466 3.359 -2.897) 5.629 3.368 ( 0.749 4.910 -5.292) 7.257 3.443 ( 6.048 2.379 2.385) 6.923 3.527 ( -0.853 4.232 -5.842) 7.264 3.709 ( -0.043 9.624 8.662) 12.948 3.844 ( 3.352 7.119 -4.276) 8.955 4.266 ( 7.737 1.029 6.822) 10.366 4.311 ( -12.443 -5.639 1.297) 13.723 4.410 ( 3.235 3.307 10.689) 11.647 4.537 ( 4.649 6.373 2.515) 8.280 4.584 ( -4.360 6.482 -2.588) 8.230 4.679 ( 0.899 9.956 -11.005) 14.868 4.923 ( 4.207 12.699 3.378) 13.798 5.007 ( -2.745 8.611 -5.047) 10.351 5.182 ( -1.634 4.049 3.631) 5.679 5.203 ( 5.473 3.631 1.698) 6.784 5.707 ( 1.286 14.291 1.090) 14.390 5.719 ( -5.275 13.995 -1.274) 15.010 5.983 ( 7.215 11.915 7.603) 15.869 6.160 ( -7.905 8.129 -8.365) 14.090 6.502 ( 10.925 0.699 6.367) 12.664 6.635 ( -9.642 3.728 -6.917) 12.438 6.731 ( 6.503 20.103 5.837) 21.920 6.873 ( -10.145 13.495 -7.746) 18.576 7.600 ( 9.775 16.209 8.922) 20.925 7.749 ( -2.324 18.285 -4.752) 19.035 8.078 ( 3.945 7.881 -0.453) 8.825 8.167 ( -11.770 9.456 -7.686) 16.942 8.665 ( 2.729 12.509 2.819) 13.110 8.695 ( 0.086 8.100 -0.059) 8.101 8.982 ( 0.039 -1.508 -0.222) 1.525 9.019 ( -1.760 -3.409 -3.751) 5.366 9.302 ( 0.068 0.414 5.363) 5.380 9.369 ( 1.103 -1.272 -1.797) 2.463 9.738 ( 8.891 5.723 3.773) 11.227 9.761 ( -5.678 7.544 1.116) 9.508 10.173 ( 7.274 2.265 5.567) 9.435 10.254 ( -3.343 6.470 -1.733) 7.486 10.320 ( 2.342 3.864 0.094) 4.520 10.415 ( -7.988 1.156 -7.220) 10.829 10.984 ( 3.949 -8.563 1.555) 9.557 11.040 ( -4.614 -12.755 -3.817) 14.090 11.193 ( 1.994 2.681 2.993) 4.486 11.253 ( -2.298 2.603 -3.115) 4.665 11.922 ( 3.852 -8.081 0.129) 8.953 11.941 ( -4.741 -9.373 -1.687) 10.639 12.444 ( 8.280 -15.661 4.779) 18.348 12.557 ( -10.840 -13.318 -7.153) 18.602 12.873 ( 3.331 6.700 5.708) 9.411 12.955 ( 0.074 0.928 -2.681) 2.838 13.919 ( -0.463 -16.893 5.490) 17.768 13.992 ( 1.503 -18.325 -2.148) 18.512 15.096 ( 2.075 -5.796 2.712) 6.727 15.171 ( -5.355 -8.603 -5.177) 11.380 15.494 ( 5.519 -11.620 5.855) 14.134 15.589 ( -4.809 -10.633 -3.721) 12.249 15.800 ( 7.403 -13.928 5.643) 16.752 15.898 ( -5.073 -13.867 -3.816) 15.251 16.014 ( 6.392 -16.601 5.282) 18.557 16.141 ( -5.962 -10.422 -6.962) 13.879 16.601 ( 6.351 -12.966 6.661) 15.900 16.727 ( -6.250 -7.004 -6.082) 11.185 17.030 ( 5.987 -9.098 6.657) 12.764 17.178 ( -5.905 -10.413 -7.987) 14.391 17.421 ( 4.950 4.224 5.485) 8.510 17.575 ( -10.190 4.612 -10.203) 15.140 18.614 ( 16.714 8.465 9.165) 20.857 18.766 ( -13.442 9.845 -7.645) 18.332 19.644 ( 6.714 11.622 10.469) 17.023 19.760 ( -1.029 12.693 -3.288) 13.152 19.902 ( 4.204 3.804 2.059) 6.032 20.024 ( -10.099 1.237 -9.480) 13.907 20.515 ( -1.682 1.938 1.641) 3.046 20.552 ( 1.607 1.964 -2.376) 3.477 20.834 ( 6.023 -0.522 3.044) 6.769 20.883 ( -4.404 -0.762 -2.477) 5.110 21.210 ( 1.271 -6.110 0.459) 6.258 21.235 ( -2.593 -7.152 -1.794) 7.816 21.483 ( -3.947 -9.090 3.794) 10.612 21.549 ( 3.353 -12.278 -2.749) 13.021 21.739 ( -0.103 -0.587 3.094) 3.151 21.783 ( 1.677 -3.428 -0.686) 3.878 22.266 ( 8.470 -8.867 9.558) 15.547 22.347 ( 3.667 -16.293 2.151) 16.838 22.428 ( -3.930 -9.890 -2.006) 10.829 22.484 ( -7.359 2.688 -7.223) 10.656 22.949 ( 3.309 2.322 2.528) 4.767 23.021 ( -5.424 3.127 -4.999) 8.012 23.721 ( 6.183 0.755 7.399) 9.672 23.860 ( -4.919 0.170 -7.418) 8.903 24.221 ( -1.453 -5.425 -0.054) 5.616 24.252 ( 2.925 -5.018 -2.849) 6.470 24.296 ( -0.856 -0.776 3.336) 3.530 24.368 ( 0.262 -2.401 -3.488) 4.243 24.658 ( 4.726 8.781 4.747) 11.044 24.757 ( -5.568 9.210 -5.654) 12.157 25.104 ( -4.251 -8.834 11.247) 14.920 25.255 ( 3.123 -8.747 -3.974) 10.103 25.604 ( 1.104 0.541 3.404) 3.619 25.682 ( 0.616 -1.156 -4.269) 4.466 29.361 ( -2.518 7.256 1.761) 7.880 29.413 ( 3.006 8.016 -3.785) 9.360 29.912 ( -1.187 2.134 4.056) 4.735 29.962 ( 0.625 3.592 -1.299) 3.871 30.531 ( -2.425 5.404 2.203) 6.320 30.589 ( 1.878 5.411 -3.672) 6.804 30.963 ( -1.967 0.872 0.460) 2.200 30.972 ( 2.194 1.227 -0.425) 2.550 37.228 ( 3.655 6.898 3.689) 8.634 37.274 ( -3.794 5.540 -0.349) 6.724 37.481 ( 2.764 11.728 -1.094) 12.099 37.537 ( -3.650 8.840 -6.550) 11.592 38.255 ( 2.832 11.179 9.032) 14.648 38.398 ( -1.249 11.663 -4.735) 12.649 38.911 ( 3.456 12.563 11.521) 17.393 39.120 ( -8.918 10.076 -8.808) 16.082 39.306 ( 5.645 2.919 2.046) 6.676 39.406 ( -6.362 5.949 -9.085) 12.586 40.101 ( 16.148 -5.801 6.650) 18.402 40.238 ( -10.272 -5.691 -8.379) 14.426 41.257 ( 3.254 -9.656 9.460) 13.903 41.381 ( -6.471 -10.926 -3.784) 13.250 41.615 ( 3.756 6.846 7.524) 10.844 41.779 ( 0.868 6.204 -9.605) 11.467 ======================= Grid point 162 (80/96) ======================= q-point: ( 0.17 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -2.220 19.539 -2.456) 19.818 2.290 ( 4.466 10.252 1.503) 11.283 2.395 ( 6.954 20.370 0.133) 21.525 2.465 ( 8.091 10.707 1.128) 13.467 2.775 ( -1.152 14.189 9.083) 16.886 2.830 ( -1.183 11.836 -2.989) 12.264 3.160 ( -5.527 1.117 3.702) 6.745 3.189 ( -2.405 3.655 5.549) 7.067 3.250 ( -2.645 9.908 -2.654) 10.592 3.358 ( -3.061 7.945 2.987) 9.023 3.491 ( 2.443 7.357 -8.460) 11.475 3.598 ( 7.998 -1.659 0.278) 8.172 3.737 ( -3.198 11.097 3.243) 11.995 3.858 ( 4.101 4.118 -6.720) 8.885 4.156 ( -3.631 -3.698 2.427) 5.723 4.360 ( -10.507 4.147 1.791) 11.437 4.419 ( -2.298 2.450 0.921) 3.483 4.546 ( -1.639 21.235 -6.567) 22.288 4.598 ( 9.373 4.990 0.730) 10.643 4.763 ( 7.930 -0.045 0.421) 7.941 4.901 ( -2.329 7.489 -7.174) 10.629 5.002 ( -5.074 3.193 -1.391) 6.155 5.114 ( 2.446 5.930 4.151) 7.640 5.213 ( -0.310 3.955 -1.730) 4.328 5.667 ( 0.290 20.115 4.000) 20.511 5.792 ( 0.901 12.083 -0.680) 12.136 5.975 ( 0.220 14.582 -2.248) 14.756 6.225 ( 4.299 4.004 3.835) 7.016 6.377 ( -8.320 1.302 -4.317) 9.464 6.565 ( -9.393 22.129 -2.407) 24.160 6.774 ( 7.151 1.092 5.157) 8.884 6.968 ( 7.794 12.650 6.719) 16.307 7.543 ( -8.152 17.039 -9.892) 21.322 7.740 ( -2.648 20.879 -3.821) 21.391 8.037 ( 4.503 5.473 7.458) 10.289 8.273 ( 7.706 2.772 4.856) 9.521 8.680 ( 0.731 20.710 -2.967) 20.934 8.719 ( 1.970 6.182 -0.899) 6.550 8.933 ( 0.017 -2.584 2.869) 3.861 9.103 ( 6.006 -2.871 0.147) 6.658 9.245 ( -3.299 -2.808 2.111) 4.819 9.393 ( -3.564 5.543 -6.101) 8.980 9.615 ( -6.172 5.929 -0.041) 8.558 9.856 ( 2.860 1.678 -1.598) 3.681 10.080 ( -9.736 9.504 -5.914) 14.836 10.199 ( -5.806 10.865 -1.821) 12.453 10.374 ( 6.789 -1.681 3.135) 7.664 10.467 ( 5.785 -2.768 6.663) 9.248 10.902 ( -4.339 -6.145 0.663) 7.552 11.052 ( -1.438 -12.543 0.274) 12.628 11.186 ( -1.285 4.028 -1.833) 4.608 11.294 ( 4.810 0.593 2.280) 5.356 11.824 ( -4.862 -5.466 1.011) 7.385 12.030 ( 4.928 -11.081 0.448) 12.136 12.291 ( -10.518 -14.326 -2.367) 17.930 12.657 ( 4.522 -10.590 7.027) 13.490 12.830 ( -1.696 -0.865 -3.547) 4.026 12.998 ( 2.157 2.336 -1.953) 3.731 13.939 ( -1.194 -20.285 2.828) 20.516 13.985 ( 0.671 -14.889 -4.510) 15.572 15.113 ( 1.654 -3.349 -0.951) 3.854 15.234 ( 8.107 -9.773 6.092) 14.084 15.461 ( -4.264 -12.701 -4.569) 14.156 15.623 ( 0.405 -9.575 0.242) 9.586 15.745 ( -2.928 -14.161 -3.019) 14.773 15.930 ( -3.516 -11.500 -4.141) 12.718 15.970 ( 1.868 -21.915 2.456) 22.131 16.174 ( 3.221 -6.490 2.825) 7.776 16.566 ( -3.969 -13.966 -4.276) 15.136 16.775 ( 5.513 -7.264 4.958) 10.380 16.987 ( -5.600 -8.654 -5.302) 11.591 17.204 ( 4.626 -8.380 4.827) 10.720 17.400 ( -3.135 1.901 -3.413) 5.010 17.677 ( 14.507 4.556 12.447) 19.650 18.405 ( -17.623 7.462 -10.680) 21.916 18.942 ( 12.682 12.123 5.044) 18.255 19.574 ( -10.085 9.483 -8.287) 16.135 19.736 ( -1.770 9.999 1.077) 10.212 19.863 ( -1.662 7.846 -0.506) 8.036 20.140 ( 11.624 0.618 7.512) 13.854 20.488 ( -2.440 1.634 1.235) 3.185 20.561 ( 0.542 1.770 -1.522) 2.397 20.726 ( -8.253 1.511 -1.808) 8.583 20.899 ( -0.477 -1.334 -0.609) 1.542 21.239 ( 3.951 -6.844 -0.304) 7.908 21.263 ( 1.398 -5.726 2.064) 6.245 21.491 ( 2.392 -13.355 3.733) 14.072 21.601 ( 1.703 -10.570 -0.317) 10.711 21.666 ( -1.563 -3.681 -3.067) 5.040 21.876 ( 4.915 0.027 -1.007) 5.017 22.193 ( -10.485 -8.301 -7.212) 15.194 22.270 ( -5.811 -5.751 -3.002) 8.710 22.435 ( 0.955 -11.417 3.264) 11.913 22.572 ( 8.425 -4.061 5.877) 11.046 22.937 ( -0.073 4.407 -0.758) 4.472 23.108 ( 8.894 0.227 3.817) 9.682 23.693 ( -5.621 1.181 -7.496) 9.444 23.885 ( 5.264 -0.922 5.376) 7.580 24.161 ( -4.074 -6.429 0.463) 7.625 24.257 ( -0.748 -4.866 -3.293) 5.923 24.294 ( -1.101 0.713 1.516) 2.005 24.374 ( 2.360 -2.306 -0.120) 3.302 24.615 ( -4.681 6.177 -3.831) 8.645 24.775 ( 2.478 9.460 5.312) 11.129 25.017 ( -9.278 -2.256 4.568) 10.585 25.345 ( 5.047 -12.909 -2.661) 14.113 25.572 ( -1.527 -1.116 -1.349) 2.323 25.713 ( 2.818 -0.198 -1.338) 3.126 29.269 ( -5.376 8.045 1.459) 9.785 29.487 ( 4.332 6.591 -3.203) 8.513 29.869 ( -2.543 3.226 2.071) 4.601 30.029 ( 3.804 0.978 -0.182) 3.932 30.521 ( -1.117 7.049 3.403) 7.907 30.609 ( 2.978 4.426 -2.447) 5.869 30.938 ( -1.065 1.424 0.484) 1.843 31.015 ( 2.819 0.971 -0.931) 3.124 37.187 ( -3.720 6.886 -1.539) 7.976 37.312 ( 0.543 4.419 0.333) 4.465 37.450 ( 1.317 11.977 1.138) 12.103 37.587 ( 6.074 9.599 1.605) 11.472 38.234 ( -6.410 11.144 -3.500) 13.324 38.389 ( 0.699 12.008 1.339) 12.103 38.840 ( -10.621 13.868 -2.203) 17.606 39.145 ( 4.552 10.184 11.579) 16.078 39.267 ( 0.937 4.293 -2.143) 4.889 39.506 ( 8.017 5.880 1.623) 10.074 39.824 ( -18.319 1.114 -10.167) 20.981 40.399 ( 7.491 -8.233 1.155) 11.191 41.022 ( -16.770 -2.684 -1.261) 17.030 41.222 ( -11.764 -9.678 2.227) 15.396 41.894 ( 13.407 0.455 -1.839) 13.540 41.937 ( 18.363 -0.957 -1.617) 18.459 ======================= Grid point 163 (81/96) ======================= q-point: ( 0.33 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 1.296 15.429 0.850) 15.507 2.404 ( 5.057 4.595 2.153) 7.164 2.468 ( 2.877 11.683 -8.097) 14.503 2.600 ( 4.361 8.259 2.832) 9.760 2.841 ( 3.422 12.515 4.875) 13.860 2.916 ( 4.643 16.371 13.871) 21.954 3.072 ( -7.312 7.423 2.261) 10.662 3.131 ( -4.372 14.157 -5.403) 15.771 3.259 ( -0.939 6.622 2.080) 7.004 3.308 ( -2.157 2.648 3.144) 4.642 3.465 ( 2.626 7.941 -6.281) 10.459 3.641 ( -4.852 2.145 -0.611) 5.340 3.673 ( -2.986 6.101 0.048) 6.792 3.910 ( 4.755 0.578 -5.776) 7.504 4.156 ( -4.571 4.840 -4.172) 7.856 4.198 ( 0.479 3.118 1.975) 3.722 4.364 ( -0.782 7.316 -0.520) 7.376 4.452 ( -5.043 16.908 -2.283) 17.791 4.682 ( -5.726 11.370 -5.042) 13.693 4.710 ( 0.354 4.080 -1.847) 4.492 4.882 ( 7.264 -2.282 -1.315) 7.727 4.968 ( 3.797 3.986 -1.709) 5.765 5.172 ( -1.045 1.308 0.822) 1.865 5.442 ( 13.461 15.722 4.065) 21.093 5.629 ( -2.035 4.699 1.002) 5.218 5.742 ( -4.065 22.672 1.449) 23.079 6.071 ( 2.836 10.352 -0.504) 10.746 6.164 ( -1.783 3.389 -1.057) 3.973 6.360 ( 2.791 -2.477 7.772) 8.621 6.480 ( -2.180 27.814 3.208) 28.084 6.831 ( -4.118 2.343 -2.419) 5.320 7.024 ( -4.730 14.564 -4.538) 15.971 7.402 ( 2.591 12.954 -0.961) 13.246 7.746 ( 4.413 17.382 3.591) 18.289 8.072 ( -7.131 4.587 -3.692) 9.248 8.379 ( 0.898 -0.141 -0.322) 0.964 8.712 ( 3.176 12.341 1.439) 12.824 8.727 ( 3.001 8.283 -3.906) 9.637 8.923 ( -7.369 4.917 -4.368) 9.877 9.217 ( 3.382 0.035 2.677) 4.314 9.255 ( 7.553 -3.040 6.060) 10.149 9.326 ( 1.178 9.566 2.511) 9.960 9.513 ( -5.958 2.202 -5.036) 8.106 9.728 ( -4.517 5.202 -7.999) 10.557 10.045 ( 1.572 8.341 4.908) 9.804 10.172 ( 1.873 12.608 5.305) 13.807 10.402 ( -2.469 -4.272 -2.964) 5.756 10.583 ( 1.198 -4.347 2.062) 4.958 10.912 ( -3.419 -5.371 2.530) 6.851 10.948 ( -2.057 -1.881 -0.237) 2.797 11.197 ( 2.676 -0.374 0.770) 2.810 11.360 ( 0.880 -2.179 -0.547) 2.412 11.793 ( -1.548 -1.793 4.198) 4.820 12.081 ( 0.982 -10.325 -2.363) 10.638 12.173 ( -1.852 -15.734 3.814) 16.295 12.632 ( -6.080 -2.433 0.544) 6.572 12.908 ( 4.802 -10.597 1.358) 11.713 12.979 ( 0.812 -1.584 -3.103) 3.577 13.921 ( -2.270 -21.292 0.584) 21.421 13.949 ( 0.297 -14.218 -5.518) 15.254 15.159 ( 1.826 0.895 -1.201) 2.361 15.342 ( -1.077 -12.983 -1.785) 13.149 15.408 ( -3.313 -11.463 -3.733) 12.502 15.518 ( 3.030 -10.221 1.126) 10.720 15.800 ( 0.402 -13.544 -0.395) 13.555 15.859 ( 3.340 -13.577 2.977) 14.296 16.006 ( -1.919 -20.586 -1.407) 20.723 16.238 ( 3.164 -2.302 3.697) 5.383 16.521 ( 0.208 -16.584 -0.978) 16.614 16.849 ( -1.955 -7.093 -0.878) 7.410 16.924 ( 3.137 -6.399 1.694) 7.325 17.277 ( 3.033 -4.942 -0.074) 5.799 17.352 ( -3.180 -2.312 1.064) 4.073 17.958 ( -15.393 0.519 -10.710) 18.760 18.135 ( 16.249 8.845 15.416) 24.082 19.103 ( -1.690 18.908 -2.512) 19.149 19.402 ( 3.551 2.863 -3.696) 5.871 19.739 ( 0.320 8.681 3.385) 9.323 19.823 ( -3.435 9.216 0.162) 9.837 20.275 ( -2.821 -1.667 -3.485) 4.784 20.442 ( -0.212 1.776 -0.142) 1.794 20.563 ( -1.781 2.823 1.364) 3.605 20.634 ( -1.056 2.528 3.166) 4.186 20.840 ( -2.244 -1.247 -4.454) 5.141 21.265 ( -0.443 -4.744 0.341) 4.776 21.310 ( 0.589 -11.059 -0.311) 11.079 21.590 ( 4.477 -11.289 2.834) 12.471 21.643 ( 5.526 -6.780 1.842) 8.938 21.686 ( 3.225 -10.392 -1.476) 10.981 21.877 ( -4.239 -4.561 -3.168) 6.986 22.057 ( 1.935 0.545 0.792) 2.161 22.205 ( -0.279 -1.669 1.167) 2.055 22.431 ( -2.265 -13.485 0.239) 13.676 22.664 ( -1.697 -2.760 -1.444) 3.547 22.968 ( 1.929 5.588 1.613) 6.127 23.248 ( 1.676 -0.017 -1.524) 2.265 23.593 ( 2.866 1.529 -1.837) 3.732 23.983 ( 0.273 -3.073 2.669) 4.079 24.104 ( -3.238 -4.278 1.157) 5.489 24.194 ( -0.915 -3.759 -4.115) 5.648 24.303 ( 1.210 3.399 2.544) 4.415 24.447 ( 3.537 -2.305 3.353) 5.391 24.547 ( -1.014 1.998 -0.935) 2.427 24.821 ( -2.667 5.016 5.395) 7.834 24.869 ( -7.189 4.675 -1.322) 8.677 25.305 ( -3.277 -10.225 -7.801) 13.272 25.619 ( 5.115 -8.042 0.857) 9.570 25.734 ( 0.493 -1.359 -0.439) 1.510 29.222 ( -2.031 7.681 3.537) 8.697 29.469 ( -1.176 6.519 -6.988) 9.629 29.896 ( 2.403 2.600 3.635) 5.074 30.064 ( 0.290 -0.696 -0.703) 1.031 30.545 ( -0.038 7.423 4.472) 8.666 30.644 ( 2.603 3.932 -2.114) 5.168 30.939 ( 0.337 1.844 1.662) 2.505 31.045 ( 1.632 0.920 -2.202) 2.891 37.131 ( -1.284 7.891 -0.549) 8.014 37.249 ( -3.382 8.193 -3.222) 9.431 37.606 ( 8.188 7.852 9.111) 14.550 37.717 ( 6.433 9.727 2.721) 11.975 38.084 ( -4.683 11.035 -6.682) 13.724 38.324 ( -9.317 8.137 -1.508) 12.462 38.691 ( -2.631 15.799 -0.750) 16.034 39.153 ( -13.140 17.902 -0.733) 22.219 39.346 ( -2.563 4.736 -1.508) 5.592 39.456 ( 9.294 5.278 3.484) 11.242 39.777 ( 6.932 3.750 3.472) 8.612 40.399 ( -6.392 -2.611 -2.542) 7.358 40.805 ( -6.357 -5.174 1.547) 8.341 41.058 ( -4.848 -10.095 -3.731) 11.804 42.095 ( 9.193 -1.884 -0.597) 9.403 42.174 ( 8.543 -5.543 -1.805) 10.343 ======================= Grid point 164 (82/96) ======================= q-point: (-0.50 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 2.740 11.745 5.767) 13.368 2.377 ( -3.067 6.766 -9.273) 11.882 2.523 ( 5.512 5.184 4.826) 8.975 2.621 ( -3.972 13.733 -4.537) 14.998 2.925 ( -5.255 11.510 4.731) 13.509 2.991 ( 2.011 12.295 8.470) 15.065 3.019 ( 1.803 15.293 -4.227) 15.969 3.129 ( 0.305 7.964 3.173) 8.578 3.193 ( 2.311 13.477 2.088) 13.832 3.348 ( -1.131 -1.397 -1.678) 2.459 3.474 ( 1.103 16.926 1.000) 16.992 3.537 ( -1.770 3.017 -2.920) 4.556 3.644 ( -2.296 -6.129 6.035) 8.903 3.834 ( -0.857 -3.534 -12.364) 12.888 4.118 ( -3.883 12.375 4.393) 13.694 4.217 ( 4.897 10.317 -5.211) 12.553 4.318 ( -8.495 6.159 3.597) 11.092 4.403 ( 6.025 4.321 -4.150) 8.497 4.643 ( 0.418 11.127 1.444) 11.228 4.712 ( 1.744 10.614 -4.145) 11.528 4.986 ( 3.040 -2.657 1.201) 4.212 5.040 ( -1.293 -1.787 -4.520) 5.029 5.194 ( 5.571 8.260 5.892) 11.575 5.306 ( -10.162 13.540 -5.713) 17.867 5.728 ( 0.547 16.680 7.573) 18.326 5.833 ( 2.961 10.336 -0.595) 10.768 6.074 ( 2.899 9.594 1.885) 10.198 6.126 ( -3.356 5.939 -1.772) 7.048 6.495 ( 2.661 17.061 7.567) 18.852 6.632 ( 13.542 6.897 10.033) 18.211 6.644 ( -7.912 13.682 -7.618) 17.545 6.817 ( -10.121 8.620 -9.121) 16.123 7.600 ( 14.074 5.910 5.905) 16.367 7.728 ( -11.178 6.971 -7.527) 15.172 8.000 ( 7.735 11.336 6.010) 14.982 8.161 ( -13.344 11.078 -10.628) 20.341 8.796 ( -0.735 6.783 4.183) 8.004 8.859 ( 11.812 -0.424 4.956) 12.817 8.878 ( 3.062 8.657 -0.690) 9.208 9.031 ( -13.639 4.850 -9.199) 17.151 9.332 ( -2.208 2.796 2.226) 4.200 9.379 ( 0.326 0.403 -2.385) 2.441 9.578 ( 7.176 9.535 7.806) 14.260 9.697 ( 0.073 9.800 -5.027) 11.015 10.086 ( 2.589 2.207 3.752) 5.065 10.176 ( -4.698 -0.324 -5.256) 7.057 10.426 ( 5.291 5.425 8.755) 11.579 10.555 ( -3.699 2.655 -4.000) 6.061 10.867 ( 0.994 -6.617 3.839) 7.714 10.941 ( -0.888 -6.119 -3.269) 6.994 11.269 ( 2.966 0.762 2.498) 3.952 11.319 ( -3.232 0.148 -2.656) 4.186 11.853 ( 3.395 -6.426 7.331) 10.323 11.993 ( -3.849 -8.194 -6.988) 11.436 12.324 ( 9.150 -12.608 9.475) 18.234 12.478 ( -8.178 -9.304 -6.034) 13.779 12.951 ( 0.355 -5.685 2.248) 6.124 13.002 ( 0.975 -3.397 -2.427) 4.288 13.875 ( -3.180 -19.545 1.022) 19.828 13.923 ( 1.625 -16.221 -3.999) 16.785 15.167 ( 1.819 -5.518 0.330) 5.820 15.202 ( -5.757 -9.020 -3.590) 11.287 15.455 ( 4.497 -8.489 2.276) 9.872 15.512 ( -3.706 -8.039 -3.757) 9.616 15.849 ( 4.473 -14.288 3.833) 15.454 15.919 ( -4.775 -15.969 -3.361) 17.004 16.056 ( 10.131 -13.752 7.657) 18.718 16.186 ( -8.165 -12.372 -5.659) 15.867 16.630 ( 8.143 -8.514 5.857) 13.157 16.736 ( -7.269 -8.469 -5.038) 12.245 17.074 ( 8.872 -7.364 5.634) 12.833 17.174 ( -8.927 -6.392 -4.755) 11.964 17.454 ( 9.560 -0.136 5.665) 11.113 17.587 ( -13.381 1.636 -8.583) 15.981 18.591 ( 16.181 8.301 15.944) 24.185 18.868 ( -12.786 11.713 -13.027) 21.688 19.586 ( 9.347 9.602 3.745) 13.913 19.667 ( -7.476 11.152 -4.734) 14.236 19.885 ( 7.031 2.375 9.491) 12.048 20.071 ( -8.869 1.425 -9.787) 13.285 20.488 ( -0.258 2.992 0.905) 3.136 20.500 ( 0.813 2.707 -0.326) 2.845 20.693 ( 1.601 -0.391 4.001) 4.327 20.775 ( -1.034 -0.640 -4.821) 4.972 21.259 ( -1.335 -7.125 1.643) 7.433 21.294 ( 0.677 -10.060 -1.887) 10.258 21.653 ( -2.881 -5.830 2.638) 7.018 21.681 ( -0.879 -10.342 1.147) 10.442 21.760 ( 2.855 -6.548 0.663) 7.174 21.823 ( 1.619 -9.830 -4.150) 10.792 22.170 ( 4.482 -4.894 5.814) 8.823 22.245 ( 0.493 -2.233 -1.672) 2.833 22.422 ( 4.266 -5.923 3.071) 7.919 22.507 ( -9.370 -3.829 -5.636) 11.585 23.044 ( 4.362 6.541 4.324) 8.972 23.137 ( -6.580 3.845 -5.574) 9.442 23.773 ( 11.441 -1.247 4.628) 12.405 23.864 ( -10.077 -2.218 -4.858) 11.405 24.101 ( -0.499 -2.204 2.879) 3.660 24.170 ( 1.683 -2.194 -4.340) 5.146 24.405 ( 5.118 3.001 5.853) 8.334 24.489 ( -3.366 2.562 -3.723) 5.635 24.554 ( 3.285 3.025 6.134) 7.587 24.682 ( -5.935 5.186 -6.122) 9.980 24.919 ( 3.251 -5.415 11.998) 13.559 25.149 ( -4.430 -9.575 -11.583) 15.667 25.692 ( -0.469 -6.590 2.199) 6.963 25.736 ( 1.887 -4.486 -2.060) 5.285 29.252 ( 1.166 7.623 5.424) 9.428 29.377 ( -1.310 7.287 -7.830) 10.776 29.968 ( -0.284 1.188 4.879) 5.030 30.039 ( -0.011 -0.290 -2.717) 2.732 30.581 ( -0.309 6.272 4.408) 7.672 30.655 ( 0.948 4.490 -3.193) 5.590 30.970 ( 0.328 1.487 3.138) 3.488 31.033 ( -0.283 1.084 -3.361) 3.543 37.136 ( 0.910 9.029 1.349) 9.174 37.172 ( -1.655 9.516 -2.683) 10.025 37.791 ( 1.806 7.198 9.522) 12.072 37.921 ( 12.533 7.257 4.882) 15.283 37.968 ( -1.571 10.708 -6.158) 12.452 38.062 ( -13.133 6.936 -6.720) 16.302 38.749 ( 7.009 18.167 4.109) 19.901 38.855 ( -9.684 19.057 -6.620) 22.379 39.421 ( 2.923 5.622 6.262) 8.908 39.548 ( -0.484 7.634 -6.287) 9.901 39.986 ( 10.812 1.029 11.209) 15.608 40.196 ( -8.026 0.006 -10.461) 13.185 40.799 ( -1.697 -4.397 9.107) 10.254 40.970 ( 1.037 -11.063 -8.760) 14.149 42.192 ( 0.613 -2.652 0.725) 2.817 42.221 ( -0.485 -6.546 -2.239) 6.935 ======================= Grid point 165 (83/96) ======================= q-point: (-0.33 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -6.023 14.847 -3.064) 16.312 2.330 ( 0.100 7.939 3.819) 8.810 2.458 ( -6.533 10.099 -2.920) 12.378 2.636 ( 1.703 9.799 -0.563) 9.962 2.896 ( -3.378 16.923 3.233) 17.557 2.992 ( 0.182 11.194 0.524) 11.207 3.116 ( 4.958 7.387 -0.876) 8.940 3.198 ( -1.786 4.005 -7.592) 8.767 3.224 ( 8.288 12.489 2.064) 15.130 3.293 ( -2.062 10.725 5.933) 12.429 3.468 ( -0.030 2.039 -6.704) 7.007 3.581 ( 3.725 7.748 5.237) 10.067 3.657 ( -2.974 0.969 3.541) 4.725 3.803 ( 2.029 -4.491 1.061) 5.041 4.113 ( -0.536 2.895 2.454) 3.833 4.150 ( -0.735 18.080 3.524) 18.435 4.397 ( -2.988 2.562 -3.390) 5.194 4.434 ( 8.752 12.976 -0.757) 15.670 4.656 ( 0.709 4.882 2.639) 5.595 4.693 ( 0.755 6.312 -4.478) 7.776 4.864 ( -5.929 2.167 0.974) 6.387 4.954 ( -4.579 3.120 -1.254) 5.681 5.206 ( -1.597 4.751 -2.545) 5.622 5.420 ( 5.217 19.580 5.770) 21.069 5.654 ( -10.265 2.248 -2.167) 10.730 5.809 ( -2.175 16.471 -2.776) 16.845 6.021 ( -1.768 7.966 2.430) 8.514 6.169 ( 2.325 4.668 -0.035) 5.215 6.512 ( -6.497 12.827 -5.816) 15.510 6.550 ( 0.615 15.377 -4.364) 15.996 6.729 ( 7.899 9.952 6.893) 14.455 6.919 ( 9.628 11.368 5.354) 15.830 7.445 ( -9.401 7.594 -5.395) 13.235 7.857 ( -2.111 17.216 -7.335) 18.832 7.971 ( 8.945 5.900 5.833) 12.200 8.286 ( 11.359 4.123 9.257) 15.222 8.709 ( -8.403 0.564 -3.415) 9.088 8.774 ( -6.392 13.007 -2.838) 14.768 8.891 ( 2.634 5.300 -1.634) 6.140 9.160 ( 8.941 2.047 6.802) 11.420 9.308 ( -2.864 1.052 4.377) 5.335 9.371 ( 0.110 0.105 -1.481) 1.488 9.512 ( -8.497 5.853 -8.102) 13.119 9.652 ( -0.986 10.790 0.596) 10.851 10.106 ( 0.238 4.906 -2.695) 5.603 10.233 ( 5.515 3.399 2.605) 6.982 10.397 ( -5.154 2.694 -4.219) 7.185 10.566 ( 2.635 0.094 3.639) 4.494 10.927 ( 3.730 -4.935 -0.679) 6.223 10.969 ( 3.704 -4.548 -0.356) 5.876 11.217 ( -3.817 -1.252 -1.086) 4.161 11.338 ( 0.894 0.052 1.471) 1.722 11.891 ( -0.657 -4.890 -5.969) 7.744 11.994 ( 3.926 -7.674 6.463) 10.773 12.285 ( -4.177 -14.979 -7.018) 17.061 12.581 ( 9.457 -6.246 6.009) 12.828 12.915 ( -3.753 0.094 0.989) 3.882 12.976 ( -2.541 -10.235 -2.995) 10.963 13.845 ( -1.877 -15.621 4.120) 16.264 13.941 ( 2.393 -20.052 -1.444) 20.246 15.131 ( -1.626 -2.954 1.159) 3.565 15.265 ( 6.014 -10.002 4.746) 12.599 15.396 ( -3.882 -10.270 -1.818) 11.128 15.535 ( 0.584 -8.413 -0.087) 8.434 15.810 ( -3.362 -13.347 -2.004) 13.909 15.948 ( -5.939 -13.173 -3.233) 14.807 15.970 ( 1.493 -18.569 0.163) 18.629 16.262 ( 3.989 -7.895 2.132) 9.099 16.542 ( -6.570 -13.892 -3.761) 15.821 16.802 ( 5.003 -6.565 3.706) 9.048 16.975 ( -6.242 -6.885 -3.171) 9.819 17.277 ( 1.700 -5.844 0.592) 6.115 17.373 ( -0.527 -0.898 -1.584) 1.896 17.746 ( 15.338 1.490 10.718) 18.771 18.454 ( -18.021 7.598 -17.081) 25.967 18.966 ( 11.904 13.189 11.149) 20.975 19.415 ( -12.508 7.282 -4.474) 15.149 19.751 ( 4.664 12.948 1.511) 13.845 19.895 ( -2.137 4.304 -6.588) 8.155 20.149 ( 10.318 -1.318 8.920) 13.703 20.446 ( -1.051 1.705 -0.247) 2.018 20.590 ( 4.707 4.250 -1.366) 6.487 20.707 ( -1.863 0.559 -3.752) 4.226 20.761 ( 3.397 -2.103 3.193) 5.114 21.249 ( -0.877 -7.306 1.780) 7.570 21.314 ( 1.672 -9.584 -0.700) 9.754 21.594 ( -4.619 -6.034 2.864) 8.121 21.625 ( -6.072 -6.624 1.027) 9.044 21.750 ( -3.940 -13.503 -4.865) 14.884 21.834 ( 3.156 -5.203 0.645) 6.120 22.094 ( -8.412 0.810 -3.661) 9.210 22.248 ( -0.084 -6.421 -2.572) 6.917 22.414 ( 2.428 -12.972 1.812) 13.321 22.605 ( 6.735 0.385 4.584) 8.156 23.001 ( -3.951 5.249 -2.011) 6.871 23.182 ( 4.596 4.262 5.134) 8.102 23.621 ( -10.021 0.521 -4.612) 11.043 23.993 ( 7.320 -3.318 2.018) 8.287 24.101 ( -0.008 -0.686 1.773) 1.901 24.182 ( 2.856 -3.897 -3.574) 6.009 24.364 ( -4.533 4.632 -4.168) 7.706 24.492 ( -0.829 -1.375 0.581) 1.707 24.564 ( -1.741 4.921 -3.925) 6.531 24.730 ( 8.234 3.324 10.145) 13.482 24.985 ( -2.510 -1.840 -8.507) 9.059 25.116 ( 5.616 -10.403 10.656) 15.916 25.641 ( -4.534 -4.567 -0.603) 6.464 25.750 ( 0.499 -6.251 -2.194) 6.643 29.306 ( 0.654 7.137 -3.608) 8.024 29.353 ( 3.870 8.199 3.346) 9.665 29.923 ( -4.772 1.070 0.983) 4.988 30.054 ( 0.478 1.081 0.041) 1.182 30.594 ( -1.935 4.758 3.212) 6.058 30.631 ( 0.064 5.271 -4.311) 6.810 30.971 ( -1.644 1.690 -0.256) 2.372 31.009 ( -0.400 0.854 0.180) 0.960 37.125 ( -0.359 9.262 -0.124) 9.270 37.207 ( 3.468 9.000 1.458) 9.755 37.749 ( -11.210 10.090 -4.857) 15.845 37.811 ( -4.715 7.094 -4.755) 9.756 37.960 ( 4.476 9.255 2.500) 10.581 38.230 ( 11.022 5.365 8.021) 14.650 38.713 ( -1.059 16.717 -2.849) 16.991 39.042 ( 18.973 15.939 7.920) 26.014 39.397 ( -6.079 4.230 -4.234) 8.531 39.492 ( -1.550 8.758 -0.174) 8.895 39.942 ( -7.936 1.858 -12.711) 15.099 40.323 ( 14.229 -0.362 5.969) 15.435 40.784 ( -3.271 -5.534 2.909) 7.056 41.026 ( 8.705 -7.904 -0.416) 11.766 42.095 ( -9.884 -4.312 -0.530) 10.797 42.157 ( -6.852 -3.163 -0.368) 7.556 ======================= Grid point 166 (84/96) ======================= q-point: (-0.17 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -1.635 21.040 3.368) 21.370 2.317 ( -4.214 8.147 1.157) 9.245 2.359 ( -2.805 13.510 -0.877) 13.826 2.547 ( -7.226 16.011 -6.791) 18.833 2.840 ( -0.586 8.036 -3.596) 8.823 2.971 ( -2.024 18.086 -7.903) 19.841 3.125 ( 1.826 8.141 4.255) 9.365 3.235 ( 2.661 5.838 -0.766) 6.461 3.305 ( 3.231 -1.202 0.966) 3.580 3.369 ( 2.685 8.290 -1.220) 8.799 3.441 ( 1.940 5.371 -4.682) 7.384 3.586 ( -3.510 2.254 2.853) 5.054 3.678 ( -2.651 10.240 5.385) 11.870 3.806 ( 0.530 4.534 0.881) 4.649 4.173 ( -2.640 6.097 2.357) 7.049 4.238 ( 4.347 1.280 10.919) 11.822 4.311 ( 7.258 3.936 2.585) 8.652 4.582 ( -7.857 3.991 -1.230) 8.898 4.664 ( 8.863 18.395 -4.133) 20.832 4.715 ( -4.047 -2.091 4.858) 6.660 4.830 ( 2.762 5.060 -3.445) 6.716 4.978 ( 8.902 5.487 3.607) 11.062 5.143 ( -4.396 3.958 -0.622) 5.948 5.239 ( -10.882 8.837 -4.720) 14.791 5.620 ( 0.546 12.240 8.232) 14.761 5.795 ( -0.390 21.218 -1.978) 21.313 6.018 ( -4.582 11.584 -3.509) 12.942 6.183 ( 4.127 -2.726 4.483) 6.675 6.413 ( -0.374 -1.543 -4.893) 5.144 6.570 ( 4.156 28.130 -2.897) 28.583 6.839 ( -2.082 3.454 -0.199) 4.037 7.028 ( -1.840 12.156 -0.154) 12.296 7.405 ( 5.613 16.780 4.619) 18.287 7.717 ( -1.883 22.598 -2.372) 22.800 8.162 ( 1.701 4.432 -3.871) 6.126 8.342 ( -3.181 -1.848 -3.233) 4.897 8.654 ( -3.767 18.595 0.338) 18.976 8.672 ( 0.533 1.121 2.771) 3.036 8.994 ( 1.371 5.013 -0.709) 5.245 9.146 ( -5.932 -3.052 -5.076) 8.382 9.211 ( 0.793 2.657 4.845) 5.583 9.341 ( 0.365 2.314 -2.476) 3.409 9.562 ( 6.186 1.429 6.244) 8.905 9.749 ( 5.163 2.115 8.087) 9.825 10.062 ( -0.745 12.876 -3.710) 13.421 10.208 ( 1.180 11.399 -2.166) 11.662 10.404 ( -0.630 -1.150 -0.415) 1.375 10.572 ( -3.345 -6.978 -3.034) 8.312 10.953 ( -0.348 0.040 -4.076) 4.091 11.041 ( 5.780 -8.966 1.323) 10.749 11.166 ( -1.103 -0.559 0.034) 1.237 11.328 ( -2.548 -0.973 -0.983) 2.899 11.870 ( 2.231 -2.430 -3.495) 4.806 12.030 ( -2.734 -11.276 0.680) 11.622 12.280 ( 6.292 -15.428 -0.998) 16.691 12.733 ( 5.423 5.390 2.985) 8.208 12.813 ( -9.315 -11.792 -5.776) 16.100 12.942 ( 1.305 -4.617 3.745) 6.087 13.874 ( -0.358 -14.460 6.530) 15.870 13.972 ( 1.938 -20.884 -0.939) 20.994 15.104 ( -2.712 0.029 0.403) 2.742 15.326 ( -2.504 -11.646 -1.294) 11.983 15.399 ( -1.645 -12.024 -0.114) 12.136 15.531 ( 6.743 -11.362 6.013) 14.516 15.764 ( -3.424 -12.943 -1.679) 13.493 15.864 ( 2.154 -12.826 1.307) 13.072 16.015 ( -0.835 -22.257 -0.964) 22.294 16.222 ( -1.707 0.083 -2.689) 3.186 16.511 ( 0.567 -19.934 1.750) 20.019 16.850 ( -2.955 -5.849 -2.758) 7.110 16.913 ( 2.385 -6.424 2.567) 7.318 17.228 ( -1.008 -4.805 1.092) 5.030 17.417 ( 0.621 -2.356 -3.595) 4.343 17.937 ( -15.897 0.792 -13.818) 21.078 18.201 ( 16.837 8.817 9.845) 21.404 19.037 ( -9.569 14.786 -5.239) 18.375 19.374 ( 8.429 5.878 11.639) 15.526 19.777 ( 0.735 11.101 -2.931) 11.505 19.877 ( 1.442 8.196 -1.708) 8.495 20.250 ( -4.761 -1.896 -2.884) 5.881 20.480 ( 3.787 1.512 1.858) 4.481 20.577 ( -1.674 1.577 -3.384) 4.091 20.705 ( 4.102 1.874 0.583) 4.548 20.877 ( 4.976 -1.935 1.190) 5.470 21.240 ( -2.606 -5.360 0.172) 5.963 21.297 ( -1.864 -7.265 -1.529) 7.654 21.533 ( -4.266 -5.706 1.553) 7.292 21.584 ( -2.683 -14.197 0.993) 14.483 21.629 ( 1.105 -7.878 -1.317) 8.063 21.848 ( -4.413 -0.878 1.769) 4.835 22.054 ( 4.978 -2.195 6.246) 8.284 22.254 ( 3.164 -8.632 -0.643) 9.216 22.469 ( 1.250 -15.484 -0.251) 15.536 22.645 ( -3.585 1.258 -1.910) 4.252 22.944 ( -2.059 3.680 -0.889) 4.310 23.181 ( -6.023 1.257 -3.643) 7.150 23.560 ( 3.476 2.671 5.984) 7.418 23.988 ( -3.103 -1.111 -4.987) 5.978 24.191 ( 3.381 -4.150 3.214) 6.244 24.211 ( 4.436 -6.312 -4.195) 8.782 24.292 ( -1.365 4.587 -0.098) 4.787 24.424 ( -2.938 -4.497 -3.512) 6.418 24.564 ( 2.174 5.818 1.521) 6.395 24.881 ( -2.584 6.042 -5.296) 8.440 24.967 ( 7.066 0.461 8.650) 11.179 25.263 ( 0.760 -11.807 6.313) 13.411 25.563 ( -1.212 -2.872 -0.983) 3.269 25.722 ( -1.271 -3.221 -1.932) 3.965 29.313 ( 3.506 7.616 -2.812) 8.843 29.436 ( 0.806 7.490 1.905) 7.771 29.873 ( -0.769 2.478 1.462) 2.978 30.024 ( -3.804 2.418 0.420) 4.527 30.566 ( -3.067 3.993 1.924) 5.390 30.600 ( 0.632 5.975 -4.350) 7.417 30.951 ( 0.401 1.762 -0.822) 1.985 30.995 ( -1.878 0.628 1.025) 2.230 37.150 ( 2.235 8.124 1.880) 8.633 37.278 ( 2.063 7.190 2.324) 7.833 37.538 ( -5.991 11.292 -6.000) 14.121 37.676 ( -4.767 7.490 -7.032) 11.326 38.099 ( 5.399 10.594 7.946) 14.301 38.403 ( 2.679 9.009 2.996) 9.865 38.759 ( 5.189 14.105 3.516) 15.435 39.255 ( -1.380 3.864 -1.647) 4.421 39.347 ( -6.939 3.707 -3.876) 8.770 39.587 ( 19.926 6.894 -3.189) 21.325 39.694 ( -4.536 6.524 -3.095) 8.527 40.439 ( -3.506 -5.190 -3.505) 7.178 40.933 ( 15.397 -3.654 7.912) 17.692 41.227 ( 12.395 -7.512 1.679) 14.591 41.847 ( -17.888 -1.026 1.571) 17.986 41.967 ( -11.347 0.451 -3.423) 11.861 ======================= Grid point 167 (85/96) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 5.711 3.748 5.053) 8.497 2.500 ( -1.920 5.319 1.803) 5.935 2.557 ( -3.767 7.092 -0.493) 8.046 2.757 ( -0.094 11.581 -11.532) 16.343 2.900 ( -1.212 6.182 7.892) 10.098 3.023 ( -0.526 0.711 -2.657) 2.800 3.239 ( -5.545 -0.868 2.024) 5.967 3.280 ( 0.724 5.688 -2.218) 6.148 3.419 ( 1.702 5.618 1.222) 5.997 3.503 ( 1.991 6.818 -6.166) 9.406 3.605 ( 1.280 11.146 5.027) 12.294 3.691 ( 0.277 10.229 -3.171) 10.713 3.953 ( 0.875 9.197 0.766) 9.270 3.982 ( -0.999 5.001 -1.415) 5.293 4.179 ( -7.386 -5.502 5.919) 10.948 4.233 ( 3.573 -3.172 2.104) 5.221 4.354 ( 7.141 -3.469 7.653) 11.027 4.577 ( -1.133 -5.026 -13.214) 14.183 4.745 ( -0.708 8.328 4.691) 9.584 4.863 ( -0.042 10.251 -6.650) 12.219 5.224 ( 4.042 9.207 1.470) 10.162 5.233 ( -1.376 9.078 3.148) 9.706 5.260 ( -0.591 11.921 -0.024) 11.936 5.283 ( -0.130 5.137 1.445) 5.338 5.786 ( 3.592 -0.097 8.296) 9.041 5.903 ( -4.709 7.251 -4.260) 9.639 6.084 ( 2.116 -3.108 3.513) 5.146 6.212 ( -6.385 -2.885 -6.290) 9.416 6.718 ( 12.051 15.071 6.532) 20.372 6.781 ( -4.758 7.642 -1.828) 9.186 6.984 ( 5.225 5.111 4.076) 8.369 7.139 ( -11.929 12.925 -10.281) 20.373 7.848 ( 7.425 5.506 5.554) 10.784 7.990 ( -12.108 3.450 -9.098) 15.533 8.214 ( 11.887 6.595 5.525) 14.674 8.307 ( -6.153 7.011 -4.046) 10.168 8.820 ( 8.689 -1.839 8.213) 12.097 8.935 ( -2.923 -4.348 -4.216) 6.725 9.095 ( -0.660 24.096 4.135) 24.457 9.204 ( -4.053 20.094 -6.774) 21.589 9.322 ( 4.996 4.487 3.562) 7.601 9.398 ( -5.836 4.825 -3.976) 8.553 9.946 ( 12.819 16.874 9.614) 23.270 10.069 ( -0.399 20.910 1.861) 20.996 10.215 ( -5.917 -2.161 -5.465) 8.340 10.244 ( -4.736 8.376 -3.672) 10.299 10.522 ( 2.135 10.248 1.565) 10.584 10.552 ( -1.219 9.017 -1.545) 9.229 10.774 ( -0.998 -10.268 0.170) 10.318 10.819 ( -1.219 -9.188 -4.207) 10.179 11.315 ( 0.719 4.638 1.651) 4.976 11.330 ( 0.925 3.371 0.483) 3.529 11.727 ( -0.960 -10.777 -0.320) 10.824 11.755 ( -1.885 -7.678 -3.743) 8.747 12.128 ( 4.751 -12.480 5.237) 14.344 12.245 ( -6.432 -15.094 -7.127) 17.888 12.890 ( 1.670 -7.568 3.434) 8.477 12.918 ( 1.260 -4.438 0.291) 4.623 13.554 ( -1.007 -18.502 4.179) 18.994 13.603 ( 2.513 -18.868 -0.778) 19.051 14.911 ( 1.212 -12.042 0.907) 12.136 14.957 ( -4.913 -8.461 -3.832) 10.507 15.260 ( 6.189 -11.441 5.515) 14.129 15.326 ( -2.220 -14.604 -0.759) 14.791 15.564 ( 2.930 -8.946 1.694) 9.565 15.604 ( -1.365 -14.383 -1.694) 14.547 15.807 ( 4.142 -4.065 4.269) 7.204 15.937 ( -8.184 -9.123 -8.406) 14.862 16.420 ( 8.719 -3.666 8.420) 12.663 16.580 ( -7.475 -6.580 -7.691) 12.583 16.964 ( 5.114 0.984 4.616) 6.959 17.065 ( -5.026 -1.725 -5.654) 7.760 17.501 ( 6.366 3.462 5.788) 9.274 17.643 ( -10.379 1.647 -8.964) 13.812 18.748 ( 15.842 3.898 8.541) 18.415 18.890 ( -13.348 1.321 -7.054) 15.155 19.755 ( 10.686 0.376 8.988) 13.969 19.869 ( -4.900 -3.705 -3.952) 7.304 19.990 ( -2.457 6.136 0.767) 6.654 20.042 ( -2.291 3.972 -3.800) 5.955 20.535 ( -0.894 0.879 1.042) 1.631 20.562 ( 0.990 -0.357 -1.844) 2.123 20.859 ( 7.023 0.087 4.808) 8.512 20.929 ( -2.779 4.217 -2.050) 5.450 21.002 ( -3.525 -13.076 -0.036) 13.543 21.046 ( -2.388 -5.584 -4.180) 7.372 21.427 ( 4.143 -0.083 1.402) 4.375 21.434 ( -1.648 0.276 0.271) 1.692 21.719 ( 0.888 -2.910 2.872) 4.184 21.734 ( 0.582 -0.229 0.966) 1.150 22.025 ( 2.088 -10.771 1.653) 11.095 22.052 ( -2.443 -11.486 -1.612) 11.853 22.374 ( 4.341 1.096 7.913) 9.092 22.543 ( -5.270 2.677 -9.267) 10.992 23.041 ( 1.776 4.220 2.776) 5.354 23.134 ( -4.026 6.443 -6.517) 10.009 23.723 ( 4.526 -0.122 5.591) 7.195 23.837 ( -3.764 -2.432 -6.776) 8.124 24.074 ( -2.525 -7.027 0.791) 7.509 24.115 ( 3.659 -6.781 -3.514) 8.469 24.317 ( -2.168 1.710 2.517) 3.736 24.353 ( 1.396 0.763 -1.163) 1.971 24.777 ( 6.783 1.205 5.272) 8.675 24.844 ( -7.597 -5.495 0.846) 9.414 24.978 ( -0.585 2.789 4.141) 5.027 25.102 ( 0.569 -4.916 -5.920) 7.716 25.598 ( 1.407 -0.978 2.947) 3.409 25.640 ( 0.370 -2.652 -1.197) 2.933 29.516 ( -1.913 7.744 2.087) 8.246 29.570 ( 2.295 7.277 -3.704) 8.482 29.932 ( -1.155 -0.182 3.993) 4.161 29.994 ( 0.465 -0.551 -2.563) 2.662 30.666 ( -0.435 7.529 2.437) 7.925 30.719 ( 0.486 6.956 -3.039) 7.607 30.973 ( -1.366 -0.242 0.497) 1.473 30.981 ( 1.458 -0.563 -0.285) 1.589 37.338 ( 2.245 4.137 1.542) 4.953 37.365 ( -2.389 3.301 -0.845) 4.161 37.690 ( 0.857 8.503 -1.742) 8.721 37.713 ( -1.992 7.606 -4.099) 8.867 38.471 ( 2.121 9.630 10.361) 14.303 38.596 ( -0.326 7.241 -0.738) 7.286 39.118 ( 1.665 8.145 6.321) 10.443 39.257 ( -6.144 4.166 -5.636) 9.321 39.388 ( 6.349 5.367 3.476) 9.011 39.516 ( -4.878 4.690 -10.364) 12.377 40.001 ( 11.149 -4.303 5.625) 13.208 40.132 ( -9.324 -5.275 -8.686) 13.792 41.072 ( 0.209 -7.502 7.471) 10.590 41.163 ( 0.256 -9.511 -2.542) 9.848 41.773 ( -1.437 7.480 5.376) 9.323 41.888 ( 2.012 4.107 -6.437) 7.896 ======================= Grid point 168 (86/96) ======================= q-point: ( 0.17 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -4.541 3.154 -7.005) 8.924 2.504 ( -0.097 4.247 3.134) 5.279 2.615 ( 0.598 4.111 0.203) 4.159 2.676 ( 1.796 7.989 4.845) 9.515 2.992 ( 1.744 4.961 -2.816) 5.966 3.021 ( 4.870 10.354 5.016) 12.493 3.154 ( -5.641 1.767 5.990) 8.416 3.250 ( -1.528 3.378 -0.015) 3.707 3.457 ( 1.098 6.341 0.887) 6.496 3.541 ( 3.030 6.112 -3.273) 7.566 3.579 ( -2.606 9.391 -3.047) 10.211 3.702 ( 0.294 5.684 -2.369) 6.165 3.900 ( -2.860 0.675 -0.179) 2.944 3.932 ( -3.634 7.195 2.322) 8.389 4.217 ( 4.147 4.599 3.404) 7.067 4.334 ( -1.845 -2.344 -0.806) 3.090 4.416 ( 5.260 -1.403 -5.432) 7.690 4.609 ( 10.346 -4.534 -1.142) 11.353 4.726 ( -1.474 1.517 -4.473) 4.948 4.949 ( 9.006 11.412 3.288) 14.905 5.115 ( -5.940 13.750 -1.617) 15.065 5.156 ( -6.987 11.862 0.499) 13.776 5.270 ( -1.965 5.565 2.800) 6.532 5.315 ( 1.467 10.892 -2.548) 11.282 5.804 ( -3.603 -2.820 -4.794) 6.627 5.952 ( 7.857 8.221 8.334) 14.099 6.085 ( -0.288 -2.984 -1.186) 3.224 6.264 ( 5.737 -2.774 5.750) 8.583 6.549 ( -15.111 12.747 -9.279) 21.839 6.806 ( -1.246 4.101 0.471) 4.312 6.928 ( -3.952 7.839 -1.000) 8.836 7.227 ( 9.159 13.218 8.630) 18.251 7.800 ( -1.434 5.814 -0.352) 5.999 8.066 ( -11.483 8.381 -9.383) 17.033 8.129 ( 12.001 4.716 8.332) 15.352 8.359 ( 0.676 6.158 -1.048) 6.283 8.708 ( -7.424 -5.689 -5.650) 10.927 9.022 ( 4.022 -2.893 -1.867) 5.295 9.142 ( 3.687 18.620 3.372) 19.279 9.216 ( -1.016 20.043 0.001) 20.069 9.266 ( 3.164 11.649 1.754) 12.198 9.511 ( 6.506 -0.823 1.727) 6.782 9.816 ( -10.304 20.408 -6.484) 23.763 10.019 ( -9.523 12.943 -7.125) 17.578 10.276 ( 3.472 9.856 3.956) 11.173 10.315 ( 10.255 4.382 7.174) 13.260 10.475 ( -3.112 14.568 -0.176) 14.898 10.544 ( -1.122 6.238 0.212) 6.342 10.772 ( -0.038 -6.562 1.608) 6.756 10.794 ( -0.573 -11.257 1.321) 11.349 11.319 ( -1.648 0.683 -1.232) 2.168 11.329 ( 0.195 5.894 -1.503) 6.086 11.696 ( 0.662 -10.613 3.939) 11.340 11.792 ( 2.291 -8.347 0.550) 8.673 12.013 ( -8.623 -9.458 -1.601) 12.899 12.343 ( 8.144 -17.061 4.636) 19.466 12.817 ( -6.674 -4.180 -2.702) 8.326 12.943 ( -0.091 -7.558 -2.012) 7.822 13.538 ( -2.547 -18.140 0.953) 18.343 13.623 ( 1.114 -19.917 -3.316) 20.222 14.915 ( 1.632 -16.092 1.081) 16.211 15.033 ( 8.370 -6.464 4.941) 11.673 15.206 ( -6.175 -11.810 -5.543) 14.434 15.349 ( -0.864 -15.458 -2.152) 15.631 15.542 ( -0.357 -7.247 -0.444) 7.270 15.609 ( -0.306 -12.965 -0.267) 12.972 15.787 ( -1.794 -3.232 -2.163) 4.283 15.995 ( 7.458 -10.723 7.557) 15.090 16.368 ( -6.289 -2.955 -7.372) 10.131 16.630 ( 5.898 -7.014 5.755) 10.821 16.928 ( -3.736 1.376 -3.800) 5.504 17.101 ( 4.423 -2.349 3.512) 6.116 17.449 ( -5.121 3.148 -3.383) 6.897 17.747 ( 12.498 1.130 10.235) 16.194 18.553 ( -15.975 6.698 -9.246) 19.635 19.065 ( 13.112 -2.043 5.339) 14.305 19.643 ( -10.778 1.108 -7.962) 13.446 19.874 ( -2.509 2.681 -0.182) 3.676 20.050 ( 1.511 7.468 0.679) 7.649 20.069 ( 8.000 -2.935 5.220) 9.993 20.521 ( -2.087 2.414 0.741) 3.276 20.555 ( -0.000 -1.413 -1.133) 1.811 20.785 ( -5.002 1.451 -2.026) 5.589 20.936 ( -1.483 3.798 -3.302) 5.246 21.033 ( 3.216 -9.658 2.574) 10.500 21.108 ( 6.300 -7.357 5.066) 10.930 21.293 ( -6.232 -4.503 -1.866) 7.911 21.556 ( 2.826 2.393 -0.411) 3.725 21.614 ( -2.894 -2.090 -1.885) 4.037 21.827 ( 0.673 -5.841 -2.361) 6.336 22.005 ( -0.145 -7.331 1.086) 7.412 22.099 ( 4.310 -8.169 0.941) 9.284 22.374 ( -4.621 2.151 -7.111) 8.749 22.536 ( 4.388 -0.509 8.090) 9.217 23.076 ( 2.435 5.346 -2.099) 6.238 23.169 ( 6.860 6.057 5.636) 10.748 23.693 ( -5.078 -0.907 -5.363) 7.441 23.847 ( 3.492 -2.511 4.004) 5.876 24.012 ( -4.320 -6.633 1.443) 8.046 24.136 ( 1.400 -6.317 -3.436) 7.326 24.280 ( -2.934 -0.252 2.264) 3.714 24.386 ( 2.052 1.520 -0.666) 2.639 24.688 ( -6.674 0.841 -1.986) 7.014 24.933 ( 3.744 3.739 4.960) 7.252 25.003 ( -2.498 1.068 3.568) 4.485 25.049 ( 0.251 -12.166 -5.285) 13.267 25.565 ( -2.549 -0.171 -1.488) 2.957 25.675 ( 2.073 -3.068 -1.173) 3.884 29.449 ( -4.603 9.247 1.511) 10.439 29.615 ( 2.900 5.685 -2.735) 6.944 29.911 ( -2.107 0.791 2.268) 3.195 30.016 ( 1.703 -2.129 -0.537) 2.779 30.687 ( 0.520 8.635 1.815) 8.839 30.720 ( 1.970 6.215 -1.873) 6.783 30.955 ( -0.695 -0.033 0.471) 0.841 31.019 ( 2.530 -0.845 -0.671) 2.750 37.305 ( -2.636 4.772 -0.763) 5.505 37.382 ( 0.698 2.382 0.915) 2.645 37.670 ( 0.956 9.308 0.972) 9.407 37.760 ( 5.095 6.786 0.840) 8.528 38.443 ( -7.077 9.207 -2.172) 11.813 38.584 ( -2.596 6.536 0.254) 7.037 39.096 ( -4.631 11.741 -2.793) 12.927 39.292 ( 3.867 5.591 6.568) 9.453 39.350 ( 3.009 3.407 -0.051) 4.545 39.604 ( 6.868 3.220 -1.554) 7.744 39.852 ( -10.068 1.750 -5.298) 11.511 40.247 ( 9.019 -7.253 3.825) 12.189 40.921 ( -15.295 -5.704 -1.450) 16.388 41.040 ( -11.183 -8.063 1.434) 13.861 41.915 ( 9.464 2.668 2.391) 10.120 41.979 ( 10.810 2.559 -3.915) 11.779 ======================= Grid point 169 (87/96) ======================= q-point: ( 0.33 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -0.507 -0.326 -2.953) 3.014 2.419 ( -3.174 -3.860 -5.926) 7.752 2.656 ( 0.948 7.599 4.137) 8.704 2.817 ( 4.924 13.412 9.388) 17.096 3.034 ( 4.300 0.687 1.954) 4.773 3.126 ( -2.284 4.598 6.581) 8.347 3.185 ( 3.384 10.868 7.183) 13.460 3.257 ( 3.316 -2.277 -2.037) 4.509 3.438 ( -3.916 14.171 -6.337) 16.010 3.466 ( -3.159 7.473 -1.622) 8.274 3.551 ( -2.326 -0.983 -0.109) 2.527 3.624 ( -1.769 2.926 -4.185) 5.404 3.859 ( -5.059 5.455 1.193) 7.535 3.877 ( -2.089 -1.436 -4.635) 5.283 4.258 ( 3.297 6.927 -4.528) 8.909 4.337 ( 0.005 4.502 5.949) 7.460 4.509 ( 2.449 9.295 1.889) 9.796 4.630 ( 3.014 -4.061 -7.610) 9.137 4.753 ( 1.530 -1.117 -5.259) 5.589 4.906 ( -2.582 9.357 -3.999) 10.498 5.081 ( 2.612 21.329 -0.327) 21.490 5.213 ( -0.686 9.624 7.767) 12.387 5.230 ( -2.683 19.195 -5.916) 20.264 5.460 ( 16.933 -6.482 6.998) 19.434 5.681 ( -7.091 -3.114 -1.652) 7.919 5.991 ( -9.853 0.904 -6.924) 12.077 6.179 ( 6.106 -0.646 3.470) 7.053 6.317 ( -4.390 0.435 -4.969) 6.645 6.356 ( 7.739 11.753 13.490) 19.494 6.751 ( -5.481 2.719 -0.952) 6.192 6.911 ( -0.590 5.449 3.108) 6.301 7.338 ( -1.510 13.253 -0.071) 13.339 7.664 ( -9.560 12.943 -9.474) 18.673 8.027 ( 7.380 0.376 5.597) 9.270 8.175 ( -6.334 9.943 -3.890) 12.415 8.443 ( 7.878 3.969 5.374) 10.329 8.639 ( 2.589 -5.487 -1.701) 6.301 9.044 ( -2.281 2.135 -2.936) 4.288 9.131 ( -0.841 18.925 -3.738) 19.309 9.197 ( -2.825 2.669 -2.871) 4.832 9.415 ( 4.990 10.463 3.839) 12.211 9.560 ( 5.643 5.743 4.422) 9.186 9.696 ( -4.008 26.660 -3.821) 27.229 9.875 ( 1.394 12.883 1.242) 13.018 10.283 ( -4.274 12.697 -1.284) 13.458 10.415 ( -0.704 7.555 -0.284) 7.593 10.457 ( -1.166 12.387 1.108) 12.491 10.574 ( 2.317 4.070 1.237) 4.844 10.773 ( -1.452 -6.883 1.528) 7.199 10.813 ( -0.222 -7.034 3.230) 7.743 11.281 ( 0.236 -4.297 0.793) 4.376 11.335 ( 1.748 6.335 -0.332) 6.580 11.728 ( -4.387 -13.814 -1.164) 14.541 11.850 ( 5.232 -4.308 8.525) 10.891 11.905 ( -2.954 -7.075 -1.622) 7.836 12.450 ( -3.163 -17.250 0.205) 17.539 12.704 ( 0.668 -6.674 -0.954) 6.774 12.906 ( -1.026 -6.292 -2.702) 6.924 13.498 ( -2.107 -19.020 0.301) 19.139 13.593 ( -0.100 -20.201 -5.245) 20.871 14.953 ( -0.741 -20.237 -0.552) 20.258 15.132 ( 3.297 -10.630 1.830) 11.279 15.190 ( -2.128 -5.796 -3.490) 7.092 15.261 ( 3.042 -12.551 0.110) 12.915 15.570 ( 0.696 -8.981 0.506) 9.022 15.601 ( 1.492 -10.516 1.352) 10.707 15.781 ( 0.009 -3.407 0.148) 3.410 16.077 ( -2.681 -13.752 -0.726) 14.030 16.327 ( 4.493 0.404 2.086) 4.970 16.694 ( -1.256 -7.733 -0.073) 7.835 16.902 ( 2.328 2.289 1.198) 3.478 17.178 ( 3.317 -4.946 1.045) 6.047 17.378 ( -2.868 5.122 0.736) 5.916 17.937 ( -6.528 -3.440 -4.891) 8.853 18.346 ( 6.241 11.203 7.978) 15.103 19.267 ( -0.788 -14.119 -4.774) 14.925 19.442 ( 2.613 13.589 -0.191) 13.839 19.858 ( -0.190 3.190 3.735) 4.915 20.024 ( -4.219 6.676 -3.124) 8.493 20.156 ( -0.926 -5.678 -2.770) 6.385 20.493 ( 1.013 3.470 0.260) 3.624 20.584 ( 1.606 -0.266 2.775) 3.217 20.719 ( -3.900 4.529 0.799) 6.030 20.846 ( -2.685 1.301 -6.565) 7.211 21.076 ( -0.237 -9.884 -0.898) 9.928 21.132 ( -2.196 -5.778 -0.373) 6.192 21.340 ( 5.961 -9.540 6.350) 12.918 21.539 ( 1.155 -1.731 -0.451) 2.130 21.620 ( 0.587 -2.382 -1.993) 3.161 21.758 ( -2.760 -6.978 -3.899) 8.456 22.041 ( 1.267 -1.770 3.090) 3.780 22.222 ( 7.328 -2.011 2.426) 7.977 22.265 ( -2.199 0.656 -4.236) 4.818 22.603 ( -2.314 -3.436 2.019) 4.609 23.154 ( 4.434 9.098 1.185) 10.191 23.306 ( 1.583 7.845 2.224) 8.306 23.608 ( 1.548 -0.320 -0.970) 1.855 23.903 ( -0.866 -4.187 1.621) 4.573 23.992 ( 0.218 -6.015 5.337) 8.045 24.121 ( 0.671 -4.003 -2.851) 4.960 24.265 ( -1.036 -4.475 3.784) 5.951 24.412 ( 1.599 -0.840 -0.264) 1.825 24.600 ( -2.751 2.474 0.297) 3.712 24.892 ( -5.386 -4.271 -8.642) 11.042 24.961 ( -2.720 4.424 2.050) 5.583 25.040 ( -1.493 -7.894 -1.226) 8.127 25.549 ( 1.869 -0.519 0.505) 2.004 25.682 ( 0.420 -3.485 -2.003) 4.042 29.406 ( -2.009 9.900 3.224) 10.604 29.598 ( -0.905 5.748 -4.985) 7.662 29.925 ( 1.320 0.417 2.467) 2.829 30.024 ( -0.546 -3.159 -0.104) 3.208 30.713 ( 0.703 8.372 1.627) 8.558 30.748 ( 2.022 6.051 -1.086) 6.472 30.960 ( 0.395 -0.002 1.405) 1.460 31.047 ( 1.433 -0.952 -1.836) 2.516 37.274 ( -0.565 6.036 0.682) 6.100 37.372 ( -1.451 3.782 -0.858) 4.140 37.760 ( 5.091 7.389 6.302) 10.965 37.879 ( 6.338 5.722 2.783) 8.981 38.283 ( -5.806 8.588 -6.415) 12.191 38.443 ( -10.358 3.815 -3.833) 11.685 39.010 ( -0.909 14.871 -2.870) 15.173 39.393 ( 0.773 2.059 0.261) 2.214 39.415 ( -5.240 7.792 -4.491) 10.409 39.618 ( 10.966 7.205 10.450) 16.774 39.845 ( 2.775 4.508 0.103) 5.294 40.369 ( -0.082 -0.868 1.203) 1.486 40.646 ( -8.700 -9.564 -3.357) 13.357 40.849 ( -9.863 -10.003 1.241) 14.102 42.079 ( 7.068 0.234 -0.090) 7.072 42.125 ( 6.350 -0.175 -1.762) 6.592 ======================= Grid point 170 (88/96) ======================= q-point: (-0.50 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 1.114 -3.210 0.633) 3.457 2.327 ( -1.607 -5.675 -6.095) 8.481 2.774 ( 5.818 12.182 9.831) 16.700 2.919 ( -1.507 12.585 -1.798) 12.802 3.073 ( -3.796 1.321 7.291) 8.325 3.167 ( -2.988 0.935 -0.805) 3.233 3.198 ( 0.981 6.660 5.347) 8.597 3.297 ( 2.176 8.614 -6.616) 11.077 3.362 ( 1.697 7.346 -0.101) 7.540 3.418 ( 1.628 10.536 -5.575) 12.031 3.497 ( -3.829 -4.753 8.001) 10.063 3.660 ( 5.512 -1.298 -4.914) 7.498 3.759 ( -3.394 6.288 -0.513) 7.164 3.791 ( -1.370 5.914 -4.368) 7.479 4.280 ( -8.635 4.469 4.865) 10.872 4.354 ( 8.604 4.938 -3.047) 10.378 4.503 ( -1.030 11.833 2.768) 12.196 4.601 ( -3.177 10.164 -7.296) 12.908 4.775 ( 3.965 -1.837 3.346) 5.504 4.872 ( -3.198 2.410 -6.414) 7.561 5.135 ( 0.730 18.399 -0.932) 18.437 5.153 ( -1.227 18.227 -2.504) 18.439 5.313 ( 8.241 3.907 8.248) 12.296 5.442 ( -8.806 0.999 -4.805) 10.081 5.814 ( 10.923 -6.999 3.964) 13.565 5.841 ( -7.075 -3.509 1.050) 7.967 6.185 ( -6.996 -2.477 -0.417) 7.433 6.222 ( 1.590 -1.325 -4.201) 4.683 6.682 ( 6.879 12.173 9.839) 17.097 6.715 ( 2.909 1.395 3.181) 4.531 6.911 ( 5.807 8.453 3.791) 10.934 7.107 ( -14.845 17.068 -13.018) 26.099 7.676 ( 10.234 2.937 7.317) 12.919 7.864 ( -10.859 5.195 -11.523) 16.664 8.328 ( 7.125 13.328 8.068) 17.132 8.452 ( -3.921 10.147 -5.298) 12.100 8.817 ( 9.772 -4.098 9.138) 13.993 8.958 ( -5.049 4.566 -3.058) 7.463 9.041 ( -6.340 3.747 -3.781) 8.279 9.077 ( -0.369 11.011 -6.299) 12.691 9.487 ( 3.430 13.268 3.202) 14.073 9.552 ( -5.159 16.832 -3.782) 18.006 9.891 ( 13.944 18.042 11.618) 25.592 10.017 ( 4.360 19.562 1.639) 20.109 10.143 ( -5.303 4.561 -3.385) 7.771 10.200 ( -9.438 8.043 -7.398) 14.439 10.563 ( 1.534 6.021 4.108) 7.449 10.600 ( 1.082 0.188 -0.400) 1.168 10.756 ( 0.286 -4.463 2.000) 4.899 10.796 ( -1.593 -5.673 -1.324) 6.039 11.335 ( 1.526 1.651 2.365) 3.263 11.367 ( 0.572 3.963 -0.879) 4.099 11.684 ( 1.186 -9.394 4.383) 10.434 11.786 ( -3.961 -10.115 -5.583) 12.214 12.084 ( 8.482 -10.406 10.890) 17.287 12.271 ( -8.118 -11.404 -8.391) 16.321 12.790 ( 2.983 -9.029 3.722) 10.212 12.864 ( -1.026 -9.379 -3.794) 10.170 13.476 ( -1.238 -19.127 2.152) 19.287 13.548 ( 0.064 -20.135 -5.072) 20.764 14.960 ( 2.389 -11.312 2.774) 11.890 15.034 ( -5.891 -7.414 -4.778) 10.607 15.251 ( 3.767 -12.257 2.848) 13.135 15.300 ( -1.296 -12.683 -2.534) 12.999 15.622 ( 3.609 -8.666 2.319) 9.670 15.642 ( -1.174 -11.531 0.630) 11.608 15.826 ( 6.564 -6.758 3.547) 10.067 15.919 ( -9.444 -11.328 -5.753) 15.831 16.500 ( 8.740 -3.730 5.673) 11.067 16.595 ( -7.348 -5.518 -4.299) 10.145 17.030 ( 8.217 1.663 5.558) 10.059 17.129 ( -8.164 0.691 -4.410) 9.305 17.464 ( 10.045 1.712 7.148) 12.447 17.626 ( -13.371 1.731 -9.879) 16.714 18.710 ( 15.335 2.539 15.523) 21.967 18.995 ( -13.439 -1.280 -14.290) 19.658 19.687 ( 12.727 1.605 7.488) 14.853 19.831 ( -10.802 3.164 -7.612) 13.588 19.930 ( 2.723 3.696 6.410) 7.884 20.060 ( -3.439 0.324 -6.710) 7.547 20.563 ( 2.659 3.735 1.043) 4.702 20.569 ( -1.936 5.026 0.597) 5.418 20.690 ( 0.536 0.320 2.411) 2.491 20.766 ( -1.146 -0.654 -5.729) 5.879 21.070 ( -0.031 -9.859 0.573) 9.875 21.092 ( -0.873 -8.706 -1.342) 8.852 21.473 ( 1.981 -6.969 6.329) 9.620 21.560 ( -2.287 -4.689 -2.288) 5.697 21.614 ( 2.106 -5.483 1.809) 6.146 21.688 ( -0.760 -5.894 -5.707) 8.239 22.103 ( 2.147 -2.307 4.570) 5.551 22.176 ( -3.203 -3.704 -3.111) 5.802 22.425 ( 9.977 3.378 3.677) 11.157 22.486 ( -8.915 1.270 -2.744) 9.414 23.230 ( 2.953 10.088 1.475) 10.614 23.250 ( -4.463 7.057 -0.880) 8.395 23.746 ( 8.601 -0.864 3.874) 9.472 23.820 ( -6.580 -1.338 -3.752) 7.691 24.065 ( 1.172 -1.133 3.470) 3.834 24.123 ( 1.594 -2.388 -2.739) 3.969 24.341 ( 3.366 -10.852 9.228) 14.637 24.435 ( 0.279 -6.652 -0.937) 6.724 24.562 ( -2.802 0.876 2.701) 3.989 24.709 ( -4.168 -3.782 -10.644) 12.040 24.931 ( -1.164 3.834 2.895) 4.943 24.995 ( 0.413 -2.264 -3.685) 4.345 25.605 ( 1.402 -2.231 2.495) 3.629 25.659 ( -0.654 -3.286 -2.976) 4.481 29.430 ( 0.764 9.348 4.718) 10.499 29.532 ( -0.613 7.506 -6.035) 9.651 29.963 ( -1.578 -1.555 3.430) 4.083 30.011 ( 1.408 -2.414 -1.759) 3.302 30.729 ( -0.841 7.740 1.980) 8.033 30.766 ( 1.173 6.012 -1.769) 6.376 30.985 ( 0.318 -0.103 2.532) 2.554 31.037 ( -0.396 -0.930 -2.722) 2.904 37.295 ( 1.124 6.399 1.990) 6.795 37.332 ( -1.149 5.857 -1.912) 6.267 37.915 ( 3.820 5.209 8.465) 10.648 38.020 ( 4.238 2.652 1.027) 5.103 38.155 ( -1.002 8.045 -3.684) 8.905 38.210 ( -8.776 6.802 -5.693) 12.477 39.046 ( 5.309 10.954 2.352) 12.398 39.141 ( -8.120 8.658 -7.261) 13.914 39.586 ( 4.738 10.788 8.771) 14.689 39.741 ( -3.072 10.464 -7.505) 13.239 39.999 ( 13.414 0.710 11.363) 17.594 40.195 ( -10.536 0.026 -9.274) 14.036 40.660 ( 4.434 -9.399 3.947) 11.117 40.716 ( -4.228 -13.122 -1.813) 13.905 42.145 ( -1.005 -1.182 0.524) 1.637 42.169 ( 1.186 -0.154 -1.966) 2.301 ======================= Grid point 171 (89/96) ======================= q-point: (-0.33 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -0.126 -3.191 -3.305) 4.596 2.310 ( 2.283 -3.399 3.858) 5.626 2.777 ( -4.011 12.264 -7.237) 14.794 2.881 ( -3.616 13.186 2.281) 13.862 3.082 ( -5.833 -3.689 3.808) 7.882 3.117 ( 0.138 3.271 6.910) 7.646 3.240 ( 2.339 7.901 -3.842) 9.092 3.321 ( 0.750 7.795 -4.191) 8.882 3.359 ( 3.588 7.207 -2.112) 8.323 3.452 ( 5.274 8.968 -2.508) 10.702 3.513 ( -2.916 -2.432 5.481) 6.668 3.626 ( 0.285 -2.129 -3.113) 3.782 3.812 ( 5.730 8.179 0.582) 10.004 3.843 ( 5.451 6.526 3.271) 9.111 4.175 ( -5.412 4.508 3.745) 7.977 4.425 ( -4.343 8.806 -0.069) 9.819 4.518 ( -2.243 2.307 -0.046) 3.218 4.540 ( -0.553 5.282 -1.032) 5.410 4.704 ( -1.376 -1.688 0.006) 2.178 4.842 ( 2.976 5.226 2.222) 6.411 5.084 ( -3.610 17.180 0.358) 17.559 5.147 ( 1.425 17.347 0.345) 17.409 5.350 ( -0.545 12.943 -5.462) 14.059 5.552 ( -3.828 -8.079 0.074) 8.940 5.638 ( -3.028 0.726 0.681) 3.188 5.894 ( 1.096 -2.420 2.922) 3.949 6.153 ( 2.168 -5.454 6.083) 8.453 6.264 ( 1.420 4.230 -0.278) 4.470 6.642 ( -12.723 11.516 -14.561) 22.505 6.743 ( 3.594 4.361 0.036) 5.651 6.910 ( 4.193 2.201 2.469) 5.340 7.237 ( 12.880 18.307 10.123) 24.566 7.624 ( -2.535 8.236 -5.407) 10.174 7.972 ( 11.052 -0.502 6.555) 12.860 8.273 ( -7.972 12.103 -8.483) 16.793 8.444 ( 0.658 6.153 3.888) 7.308 8.708 ( -11.805 -1.637 -8.259) 14.500 8.997 ( 1.454 8.443 2.256) 8.859 9.053 ( 4.716 5.001 6.699) 9.599 9.125 ( 6.107 3.798 1.624) 7.373 9.433 ( -4.821 13.054 -1.230) 13.970 9.597 ( 4.475 17.491 4.787) 18.678 9.752 ( -13.672 17.892 -11.214) 25.156 9.945 ( -6.342 17.704 -5.322) 19.544 10.239 ( 7.609 8.803 3.661) 12.199 10.302 ( 10.287 8.770 7.778) 15.596 10.550 ( -5.011 8.198 -4.488) 10.604 10.574 ( -0.555 0.058 0.549) 0.783 10.800 ( 2.186 -4.956 -0.771) 5.471 10.832 ( 4.510 -7.579 1.560) 8.956 11.309 ( -2.776 2.407 -1.385) 3.927 11.340 ( -2.666 1.457 -1.092) 3.228 11.730 ( 1.724 -10.699 -1.380) 10.924 11.824 ( 6.871 -9.265 5.481) 12.770 12.025 ( -7.618 -6.000 -7.988) 12.563 12.373 ( 10.802 -16.242 7.261) 20.814 12.742 ( -5.562 -9.490 -3.808) 11.640 12.868 ( 1.109 -5.601 0.672) 5.749 13.489 ( -0.497 -19.494 4.189) 19.946 13.526 ( 1.217 -19.595 -2.100) 19.745 14.944 ( -0.858 -14.123 -0.211) 14.150 15.084 ( 5.808 -6.798 6.128) 10.840 15.193 ( -6.145 -10.252 -3.696) 12.511 15.279 ( -2.471 -14.578 -0.898) 14.813 15.592 ( -1.964 -8.555 -1.507) 8.906 15.640 ( -3.478 -12.928 -2.474) 13.614 15.781 ( -0.015 -3.005 0.012) 3.005 16.024 ( 7.616 -12.990 4.504) 15.718 16.397 ( -8.492 -0.820 -4.722) 9.751 16.666 ( 4.744 -6.804 2.899) 8.786 16.946 ( -5.894 2.513 -3.354) 7.232 17.189 ( 0.478 -3.263 0.906) 3.420 17.405 ( -1.379 4.327 -2.752) 5.310 17.770 ( 14.100 0.183 10.444) 17.547 18.593 ( -15.647 5.184 -15.672) 22.744 19.077 ( 11.428 -4.538 12.849) 17.785 19.534 ( -12.335 7.247 -7.927) 16.355 19.934 ( 3.333 -3.065 0.360) 4.543 19.963 ( 3.003 7.025 -0.667) 7.669 20.063 ( 4.442 -2.002 5.913) 7.662 20.498 ( -1.848 3.800 -0.140) 4.227 20.655 ( -0.646 0.844 -4.496) 4.620 20.727 ( -0.271 0.362 1.964) 2.015 20.744 ( 7.203 2.086 2.075) 7.781 21.057 ( -0.233 -9.954 1.055) 10.012 21.120 ( 2.628 -7.947 0.485) 8.384 21.454 ( -6.138 -6.617 -4.561) 10.112 21.508 ( -1.703 -3.755 3.337) 5.304 21.590 ( -3.064 -3.066 -0.258) 4.342 21.716 ( 4.008 -6.432 0.262) 7.583 22.095 ( -3.264 -2.196 -2.462) 4.641 22.182 ( 1.828 -2.785 4.806) 5.847 22.274 ( -9.230 1.207 -3.126) 9.819 22.613 ( 6.398 -0.775 0.839) 6.499 23.166 ( -3.739 9.320 0.382) 10.050 23.318 ( 3.340 9.413 1.233) 10.064 23.635 ( -7.557 1.241 -4.032) 8.655 23.912 ( 5.788 -4.066 0.787) 7.117 24.079 ( -0.587 -1.453 0.623) 1.686 24.109 ( 0.185 -3.337 -5.230) 6.207 24.349 ( -3.112 -9.731 -3.524) 10.807 24.416 ( -1.766 -2.351 -1.283) 3.208 24.622 ( 0.554 -0.526 0.167) 0.782 24.654 ( 4.180 -7.137 11.419) 14.100 24.995 ( 4.137 1.801 2.872) 5.348 25.013 ( 4.200 1.214 -2.088) 4.845 25.579 ( -3.356 -1.678 -1.835) 4.177 25.651 ( 0.150 -3.825 0.617) 3.877 29.469 ( 0.395 8.482 -0.951) 8.545 29.525 ( 3.600 8.161 0.342) 8.926 29.928 ( -3.252 -0.578 1.795) 3.759 30.038 ( 1.486 -2.639 -1.136) 3.235 30.711 ( -2.592 6.580 1.467) 7.222 30.762 ( 0.164 6.853 -2.073) 7.162 30.989 ( -1.358 -0.259 -0.551) 1.489 31.013 ( -0.561 -0.594 0.688) 1.068 37.289 ( -0.595 6.725 -0.850) 6.805 37.354 ( 2.248 5.217 0.990) 5.767 37.897 ( -7.423 5.393 -6.902) 11.481 37.949 ( -4.067 5.692 -3.213) 7.698 38.150 ( 3.480 8.719 5.090) 10.679 38.315 ( 9.216 3.067 8.606) 12.977 39.015 ( -0.842 12.327 -2.841) 12.678 39.238 ( 10.317 4.874 7.053) 13.414 39.515 ( -9.498 7.542 -4.655) 12.991 39.725 ( -0.477 13.134 -0.180) 13.144 39.930 ( -6.840 -3.024 -9.529) 12.113 40.356 ( 13.819 3.794 4.113) 14.909 40.599 ( -2.293 -12.330 0.100) 12.542 40.842 ( 9.827 -9.808 2.059) 14.036 42.061 ( -8.214 0.661 1.129) 8.317 42.130 ( -4.329 -0.283 -1.807) 4.700 ======================= Grid point 172 (90/96) ======================= q-point: (-0.17 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 2.859 0.302 0.079) 2.876 2.403 ( 2.513 0.750 7.795) 8.224 2.699 ( -1.345 6.983 -6.676) 9.754 2.794 ( -3.541 18.764 0.557) 19.103 2.975 ( -4.745 -1.366 -5.734) 7.567 3.078 ( -5.112 1.700 0.964) 5.473 3.260 ( 2.203 3.869 -2.581) 5.146 3.295 ( 0.877 3.599 -6.190) 7.213 3.408 ( 0.077 4.255 3.586) 5.565 3.511 ( 0.148 7.878 2.807) 8.364 3.531 ( 3.065 6.820 -1.446) 7.616 3.672 ( 3.552 4.174 2.057) 5.854 3.910 ( 3.603 7.782 -1.395) 8.688 3.947 ( 2.978 6.489 2.441) 7.545 4.169 ( 0.688 -1.659 8.503) 8.691 4.276 ( -7.208 8.651 -1.832) 11.408 4.349 ( -10.294 -5.718 4.930) 12.766 4.666 ( 0.549 1.689 -2.117) 2.763 4.689 ( 5.930 -6.018 -4.227) 9.447 4.977 ( -2.295 19.034 -0.701) 19.185 5.058 ( 5.754 7.501 4.588) 10.508 5.186 ( 1.728 16.732 3.612) 17.204 5.251 ( -3.824 7.259 -4.295) 9.261 5.337 ( -3.684 8.030 -2.555) 9.197 5.682 ( -0.718 -4.332 7.657) 8.827 6.033 ( -1.812 4.122 -0.171) 4.506 6.129 ( -1.357 -3.715 -1.250) 4.148 6.338 ( -6.788 10.390 -5.935) 13.757 6.394 ( 10.861 5.291 6.432) 13.687 6.832 ( 2.627 2.807 -1.204) 4.029 6.943 ( 0.261 4.817 -2.060) 5.246 7.344 ( -2.766 14.581 -3.388) 15.223 7.767 ( 8.234 18.150 5.546) 20.687 7.972 ( -1.099 -2.612 -2.071) 3.510 8.260 ( -0.571 6.721 -3.572) 7.632 8.366 ( -3.101 1.715 -3.459) 4.952 8.582 ( 2.404 -6.056 5.876) 8.774 9.028 ( -2.711 -3.844 -1.275) 4.873 9.100 ( -0.133 26.639 3.813) 26.911 9.232 ( 2.990 0.587 0.687) 3.123 9.354 ( -5.686 13.928 -4.012) 15.570 9.509 ( -3.582 4.934 -0.986) 6.177 9.727 ( 4.535 28.307 4.010) 28.947 9.908 ( 5.307 12.646 3.463) 14.145 10.319 ( -0.852 11.185 -1.659) 11.339 10.409 ( -1.840 6.206 -1.565) 6.659 10.484 ( 0.136 7.643 -0.698) 7.676 10.557 ( -0.197 10.598 -0.906) 10.638 10.805 ( -0.573 -10.127 -2.711) 10.499 10.863 ( 0.738 -7.877 -3.956) 8.845 11.286 ( 1.042 -2.052 1.492) 2.742 11.306 ( -0.681 4.719 0.979) 4.867 11.752 ( -0.658 -14.713 -0.431) 14.734 11.859 ( -3.527 -2.241 -7.162) 8.292 11.977 ( 6.697 -7.844 2.472) 10.606 12.450 ( -6.360 -21.838 -5.737) 23.458 12.735 ( 7.295 -4.977 5.350) 10.325 12.894 ( 0.743 -2.672 2.565) 3.778 13.519 ( 0.278 -20.352 3.991) 20.741 13.558 ( 2.014 -18.240 1.405) 18.404 14.946 ( -2.000 -20.616 -1.298) 20.753 15.098 ( -1.924 -2.326 0.841) 3.134 15.142 ( -3.349 -14.093 -2.359) 14.676 15.262 ( 4.627 -12.963 5.745) 14.915 15.554 ( -1.468 -7.688 -0.909) 7.880 15.600 ( 0.569 -11.569 0.232) 11.585 15.786 ( -0.358 -3.088 -1.064) 3.286 16.094 ( -1.436 -14.225 -1.909) 14.424 16.288 ( -0.509 2.166 0.540) 2.290 16.703 ( -1.376 -7.993 -1.928) 8.336 16.887 ( 0.370 2.185 0.727) 2.333 17.137 ( -1.618 -4.073 -0.525) 4.414 17.433 ( 1.568 3.882 -1.017) 4.308 17.925 ( -8.080 -3.112 -6.645) 10.914 18.406 ( 9.907 10.746 4.313) 15.239 19.157 ( -10.183 -6.649 -4.128) 12.843 19.474 ( 9.413 8.683 8.927) 15.611 19.905 ( 0.675 1.345 -3.110) 3.455 20.038 ( -0.439 3.600 0.794) 3.713 20.129 ( -1.966 -4.541 0.147) 4.950 20.514 ( 2.660 2.234 0.919) 3.593 20.579 ( -1.874 -1.013 -3.263) 3.896 20.745 ( 1.379 0.325 2.467) 2.845 20.888 ( 4.700 1.265 1.282) 5.033 21.074 ( -0.552 -7.911 -1.136) 8.011 21.174 ( 0.487 -1.352 -0.744) 1.618 21.289 ( -2.467 -10.824 -2.680) 11.421 21.518 ( -3.645 1.333 2.905) 4.848 21.574 ( 4.195 -0.877 2.391) 4.907 21.772 ( 0.166 -6.197 2.586) 6.717 22.020 ( -3.124 -1.995 -0.137) 3.709 22.123 ( -4.234 -3.798 -1.937) 6.008 22.265 ( 2.449 -4.012 4.764) 6.693 22.653 ( -0.183 -2.266 -4.049) 4.643 23.082 ( -4.847 7.341 -2.036) 9.029 23.281 ( -5.053 9.743 -5.824) 12.425 23.598 ( 3.213 1.214 4.456) 5.626 23.936 ( -1.014 -4.343 -4.872) 6.605 24.077 ( 2.967 -6.651 -5.162) 8.927 24.088 ( -0.074 -5.059 1.484) 5.273 24.310 ( 0.456 -4.913 -0.919) 5.019 24.373 ( -1.996 2.794 0.123) 3.436 24.651 ( 3.392 2.107 1.603) 4.303 24.827 ( 1.222 -11.238 13.224) 17.397 25.018 ( -0.480 5.013 -3.798) 6.307 25.102 ( 3.598 -2.131 -1.656) 4.498 25.536 ( 0.762 -0.437 0.707) 1.128 25.651 ( -0.877 -3.710 1.229) 4.005 29.481 ( 2.529 8.677 -1.304) 9.132 29.584 ( 1.088 6.632 0.073) 6.721 29.905 ( -0.540 0.747 2.283) 2.462 30.030 ( -1.159 -1.915 -1.440) 2.662 30.674 ( -2.342 6.480 1.650) 7.085 30.742 ( -0.205 7.282 -2.511) 7.706 30.967 ( 0.026 -0.479 -0.802) 0.935 31.001 ( -1.724 -0.240 1.140) 2.081 37.294 ( 1.434 5.970 0.239) 6.145 37.387 ( 0.327 3.432 0.431) 3.474 37.739 ( -3.595 8.384 -5.622) 10.715 37.823 ( -4.643 6.226 -5.671) 9.617 38.304 ( 5.472 9.243 9.901) 14.608 38.525 ( 5.183 3.059 7.912) 9.941 39.045 ( 3.967 13.938 0.611) 14.504 39.340 ( -4.363 4.364 -2.443) 6.637 39.408 ( -2.619 2.722 1.827) 4.196 39.649 ( 1.768 -1.234 -7.905) 8.194 39.821 ( 0.229 6.681 -1.379) 6.826 40.346 ( -6.338 -5.058 -7.053) 10.747 40.829 ( 15.520 -4.979 8.174) 18.234 41.046 ( 10.671 -9.216 0.790) 14.122 41.891 ( -11.708 4.089 3.172) 12.800 41.996 ( -6.893 1.638 -3.924) 8.099 ======================= Grid point 173 (91/96) ======================= q-point: ( 0.00 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 6.191 3.463 6.824) 9.843 2.515 ( 3.729 -2.629 6.063) 7.588 2.637 ( -4.524 3.195 -5.822) 8.035 2.725 ( -5.741 -5.249 -8.337) 11.402 3.047 ( -1.413 2.585 0.760) 3.042 3.072 ( 0.633 0.969 -1.048) 1.561 3.306 ( -2.723 7.068 2.104) 7.861 3.372 ( 2.604 1.688 -4.458) 5.432 3.550 ( 2.971 6.261 3.308) 7.680 3.602 ( -0.076 2.334 -1.691) 2.884 3.780 ( 0.059 5.125 4.230) 6.645 3.828 ( 0.607 1.374 -0.611) 1.622 4.015 ( -4.396 0.874 4.458) 6.321 4.064 ( -1.296 4.563 -1.466) 4.964 4.110 ( 4.225 -6.063 7.846) 10.778 4.131 ( -4.657 -1.670 3.454) 6.034 4.350 ( 4.797 1.624 -6.219) 8.020 4.441 ( 1.767 -6.936 -12.855) 14.714 4.915 ( 4.619 7.742 5.207) 10.411 4.991 ( -3.410 1.290 -2.513) 4.428 5.265 ( 2.312 1.937 4.490) 5.409 5.295 ( -0.339 -0.399 1.193) 1.303 5.511 ( -1.042 9.660 1.659) 9.856 5.551 ( -2.072 10.527 -0.887) 10.765 5.753 ( 1.638 -1.695 4.617) 5.184 5.883 ( -5.194 -8.706 -6.347) 11.961 6.108 ( 1.214 5.660 3.867) 6.962 6.177 ( -3.877 -0.634 -3.302) 5.132 6.839 ( -1.708 1.520 1.821) 2.922 6.873 ( -0.160 -0.809 -2.250) 2.397 7.145 ( 13.566 11.525 8.488) 19.721 7.301 ( -3.958 -0.343 -6.514) 7.630 7.853 ( 0.289 0.594 -0.727) 0.983 7.940 ( -13.225 -5.882 -8.917) 17.000 8.436 ( 10.885 13.255 7.129) 18.574 8.514 ( -2.430 13.763 -0.890) 14.004 8.689 ( 12.199 -10.501 8.207) 18.068 8.789 ( -4.747 -11.011 -2.427) 12.234 9.238 ( 0.950 -0.289 0.663) 1.194 9.268 ( -4.447 -3.230 -1.761) 5.771 9.672 ( -0.131 14.383 -1.208) 14.434 9.690 ( -0.553 13.369 -2.782) 13.666 10.286 ( 4.653 11.957 3.674) 13.346 10.344 ( 1.735 12.409 -0.225) 12.531 10.404 ( -4.160 3.895 -1.601) 5.919 10.453 ( -3.974 -3.027 -4.742) 6.888 10.594 ( 3.599 5.168 3.089) 7.014 10.675 ( -4.813 3.175 -4.998) 7.631 10.751 ( 0.051 8.681 2.193) 8.954 10.781 ( -1.555 11.734 -1.072) 11.885 11.183 ( 3.446 -13.479 4.400) 14.592 11.269 ( -3.293 -13.488 -3.784) 14.390 11.637 ( 5.008 5.727 2.896) 8.140 11.713 ( -4.935 4.204 -4.518) 7.902 11.935 ( -0.091 -9.769 2.988) 10.216 11.996 ( -0.309 -11.006 -3.377) 11.517 12.794 ( 2.287 2.903 2.238) 4.320 12.821 ( -1.725 0.717 -0.438) 1.919 13.182 ( 0.632 -16.184 3.232) 16.516 13.223 ( 0.561 -17.967 -0.846) 17.996 14.783 ( 6.530 1.192 4.919) 8.262 14.865 ( -3.743 -2.279 -2.859) 5.233 15.019 ( 3.446 -8.902 3.278) 10.093 15.064 ( -2.373 -9.875 -0.731) 10.183 15.418 ( 0.425 -3.217 -0.069) 3.246 15.438 ( -1.808 -4.234 -1.788) 4.939 15.769 ( 0.449 -0.073 0.190) 0.493 15.805 ( -3.082 -3.864 -3.364) 5.978 16.418 ( 3.161 2.169 2.580) 4.621 16.479 ( -3.339 -3.713 -3.435) 6.061 17.015 ( 3.251 2.971 2.220) 4.931 17.053 ( -1.071 -0.643 -1.625) 2.050 17.567 ( 2.110 3.328 1.572) 4.242 17.632 ( -6.314 -2.513 -5.154) 8.529 18.781 ( 6.711 0.907 3.536) 7.639 18.837 ( -5.249 -4.447 -2.609) 7.357 19.774 ( 4.518 1.628 2.971) 5.647 19.800 ( -1.595 -1.538 -0.132) 2.220 20.076 ( 0.777 1.547 0.231) 1.746 20.084 ( -1.324 0.159 -0.342) 1.376 20.582 ( 1.053 3.594 0.670) 3.805 20.589 ( -0.461 3.441 0.044) 3.472 20.751 ( 1.640 -6.581 1.948) 7.057 20.769 ( -0.739 -8.937 0.456) 8.980 21.026 ( -0.979 4.889 0.448) 5.006 21.067 ( -3.015 1.875 -3.366) 4.892 21.414 ( 6.112 -0.621 1.612) 6.352 21.436 ( -3.913 -1.518 -0.537) 4.231 21.701 ( 2.566 1.361 2.820) 4.048 21.728 ( 1.550 -0.536 0.658) 1.767 21.880 ( -0.606 -3.103 -1.447) 3.477 21.898 ( -4.784 -4.221 -2.986) 7.044 22.446 ( 4.422 5.617 8.055) 10.769 22.551 ( -0.134 -2.980 -1.908) 3.541 23.111 ( -0.935 4.069 -1.839) 4.562 23.194 ( -6.043 -1.848 -9.478) 11.391 23.737 ( 2.597 1.818 2.352) 3.947 23.782 ( -2.088 -2.380 -2.572) 4.079 23.987 ( -1.341 -1.574 -0.098) 2.071 24.006 ( 2.488 -3.505 -2.011) 4.745 24.353 ( 2.172 2.199 3.841) 4.930 24.383 ( -0.845 0.527 1.061) 1.455 24.700 ( 0.305 -2.524 4.527) 5.192 24.744 ( 1.157 -4.921 0.262) 5.062 25.056 ( -1.414 2.582 -1.072) 3.133 25.072 ( -1.171 0.351 -2.568) 2.844 25.579 ( 1.051 -0.435 1.599) 1.962 25.592 ( 0.617 -1.711 0.349) 1.852 29.654 ( -1.233 5.195 1.095) 5.450 29.684 ( 1.260 2.880 -2.003) 3.727 29.919 ( -0.970 -0.206 1.981) 2.216 29.952 ( 0.576 -2.894 -1.544) 3.330 30.813 ( 0.761 6.303 1.760) 6.588 30.846 ( -0.274 4.653 -1.594) 4.926 30.939 ( 0.852 -2.783 0.517) 2.956 30.951 ( -1.035 -2.432 -0.597) 2.709 37.397 ( 0.557 1.674 0.154) 1.771 37.406 ( -0.910 0.798 -0.662) 1.379 37.812 ( -0.203 3.319 -2.121) 3.944 37.819 ( -0.946 2.617 -2.882) 4.006 38.625 ( 1.754 5.273 9.409) 10.928 38.675 ( 0.884 0.553 5.513) 5.610 39.243 ( -1.631 4.273 -1.888) 4.949 39.293 ( -4.611 -0.565 -5.501) 7.200 39.518 ( 7.379 6.545 3.298) 10.400 39.586 ( 1.212 1.019 -3.771) 4.090 39.940 ( 2.454 -0.418 1.156) 2.745 40.013 ( -7.058 -6.179 -6.333) 11.318 40.980 ( 0.204 -1.320 4.044) 4.259 41.016 ( 0.639 -4.732 0.077) 4.776 41.894 ( -0.600 4.120 1.588) 4.457 41.934 ( 0.893 0.223 -2.504) 2.668 ======================= Grid point 174 (92/96) ======================= q-point: ( 0.17 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -6.324 3.526 -8.310) 11.021 2.486 ( -5.886 -3.900 -6.253) 9.432 2.654 ( 3.387 2.597 4.889) 6.490 2.722 ( 4.502 -3.096 9.961) 11.361 3.050 ( 0.784 2.733 1.246) 3.104 3.089 ( 1.886 -1.234 0.730) 2.369 3.317 ( 1.815 9.115 2.121) 9.533 3.382 ( -0.071 4.989 -2.522) 5.590 3.529 ( -1.385 2.721 -2.642) 4.038 3.594 ( -1.876 -0.441 -1.533) 2.462 3.751 ( -4.733 2.804 -0.128) 5.502 3.782 ( -3.250 5.813 -0.001) 6.660 3.919 ( -4.180 0.149 2.535) 4.891 3.981 ( -7.160 -3.101 0.675) 7.832 4.243 ( 7.632 3.672 7.831) 11.535 4.326 ( 5.657 -1.510 3.982) 7.081 4.395 ( 10.122 0.004 -10.777) 14.785 4.469 ( 10.003 -7.416 -7.447) 14.509 4.857 ( -5.428 10.300 -3.768) 12.237 5.029 ( 4.352 -3.669 2.949) 6.410 5.237 ( -4.755 2.851 -1.559) 5.759 5.274 ( -3.832 -0.363 0.950) 3.965 5.529 ( 1.367 13.497 -0.441) 13.573 5.586 ( 5.168 10.582 4.073) 12.461 5.791 ( 0.269 1.055 -2.368) 2.607 5.922 ( 6.648 -7.994 7.134) 12.609 6.087 ( -3.841 2.830 -1.341) 4.956 6.177 ( 0.984 -4.387 4.098) 6.083 6.773 ( -8.674 8.113 1.153) 11.932 6.867 ( 0.011 0.035 0.835) 0.836 7.023 ( -9.631 8.586 -7.998) 15.180 7.293 ( -1.187 -10.588 -2.612) 10.970 7.904 ( 10.551 10.355 8.817) 17.214 8.107 ( 15.575 -7.041 9.807) 19.707 8.298 ( -13.495 12.603 -9.756) 20.884 8.478 ( -12.408 0.536 -8.595) 15.103 8.608 ( -0.497 2.228 -3.238) 3.961 8.852 ( 1.415 -13.356 -1.954) 13.572 9.253 ( 3.054 3.275 1.303) 4.663 9.347 ( 4.636 -5.455 0.948) 7.222 9.663 ( -0.018 13.073 0.537) 13.084 9.690 ( 1.664 14.369 1.590) 14.552 10.230 ( -4.921 13.067 -3.213) 14.328 10.291 ( -3.454 14.174 0.171) 14.589 10.446 ( 1.135 0.997 0.005) 1.511 10.466 ( 2.795 -2.119 4.519) 5.720 10.573 ( -0.849 0.313 -0.670) 1.126 10.679 ( -0.371 1.667 1.951) 2.593 10.748 ( -1.407 9.928 -0.035) 10.027 10.818 ( 5.886 15.823 4.379) 17.441 11.195 ( -0.167 -11.970 -3.316) 12.422 11.300 ( 3.375 -10.591 2.404) 11.372 11.566 ( -5.673 6.704 -2.298) 9.078 11.740 ( 2.267 0.620 2.719) 3.594 11.895 ( -4.171 -6.574 0.808) 7.827 12.001 ( 1.010 -15.957 -0.025) 15.989 12.766 ( -2.622 5.418 -1.303) 6.158 12.848 ( 1.380 1.105 0.241) 1.784 13.179 ( -1.909 -16.373 -0.659) 16.497 13.221 ( -0.018 -18.221 -1.302) 18.267 14.731 ( -4.408 0.255 -3.958) 5.930 14.876 ( -2.150 -10.724 -2.072) 11.131 15.027 ( 3.046 -2.261 1.019) 3.928 15.099 ( 1.833 -8.371 -0.024) 8.569 15.420 ( 1.011 -2.247 0.575) 2.530 15.456 ( 1.594 -4.569 1.080) 4.958 15.766 ( 0.111 0.812 0.250) 0.857 15.825 ( 3.020 -5.409 3.450) 7.091 16.398 ( -1.728 4.313 -2.067) 5.085 16.503 ( 2.813 -5.680 2.522) 6.822 16.988 ( -2.528 3.781 -2.599) 5.239 17.059 ( 0.276 -2.733 -0.368) 2.771 17.549 ( -0.618 6.918 0.493) 6.963 17.695 ( 6.876 -6.057 5.584) 10.731 18.692 ( -7.182 8.002 -3.697) 11.370 18.895 ( 3.518 -11.451 1.451) 12.066 19.717 ( -4.261 5.201 -2.790) 7.280 19.819 ( -0.623 -4.868 -0.956) 5.000 20.086 ( 1.979 2.654 -0.290) 3.323 20.124 ( 2.413 -0.338 0.161) 2.442 20.556 ( -0.982 2.300 -0.026) 2.501 20.591 ( -1.298 2.518 -0.724) 2.924 20.731 ( 0.100 -2.837 0.372) 2.863 20.818 ( 1.424 -8.501 -1.383) 8.730 21.027 ( 0.044 3.693 1.279) 3.909 21.091 ( 3.706 -0.773 4.279) 5.713 21.324 ( -5.497 8.513 -2.907) 10.542 21.516 ( 3.847 -7.181 -0.737) 8.180 21.620 ( -5.739 1.850 -1.590) 6.236 21.687 ( -5.145 -5.735 -2.545) 8.114 21.934 ( 5.981 0.382 3.016) 6.709 21.987 ( 7.782 -3.928 3.154) 9.270 22.444 ( -4.849 4.177 -6.968) 9.461 22.516 ( -1.550 -2.270 1.652) 3.207 23.158 ( 6.045 4.610 1.808) 7.814 23.244 ( 9.991 -1.422 8.578) 13.245 23.694 ( -5.039 2.495 -2.757) 6.262 23.781 ( 0.079 -4.540 1.718) 4.855 23.951 ( -2.169 1.192 -0.142) 2.479 24.021 ( 1.133 -4.862 -1.793) 5.305 24.317 ( -4.068 3.857 -1.500) 5.803 24.392 ( -1.012 -1.888 -0.249) 2.157 24.686 ( -2.252 0.581 -0.046) 2.326 24.772 ( 0.869 -8.534 -2.612) 8.967 25.043 ( -1.141 1.675 2.161) 2.962 25.044 ( -1.144 1.779 1.748) 2.744 25.570 ( -0.783 1.018 -1.279) 1.813 25.611 ( 0.897 -2.868 -1.160) 3.221 29.619 ( -2.714 6.916 1.136) 7.516 29.690 ( 0.295 0.661 -1.241) 1.437 29.915 ( -0.676 0.526 1.580) 1.798 29.957 ( 0.593 -3.171 -0.886) 3.346 30.834 ( 0.814 5.296 -1.742) 5.635 30.851 ( 1.765 6.002 1.028) 6.340 30.931 ( -0.323 -1.936 -0.136) 1.968 30.974 ( 1.912 -3.660 0.337) 4.143 37.379 ( -1.322 2.508 0.067) 2.836 37.406 ( -0.117 -0.085 0.626) 0.643 37.812 ( 1.787 4.478 0.832) 4.893 37.844 ( 3.391 1.352 0.809) 3.739 38.592 ( -7.279 5.266 -1.694) 9.142 38.648 ( -6.085 -0.032 -0.939) 6.157 39.287 ( 5.862 6.075 2.406) 8.779 39.353 ( 8.882 -0.763 6.879) 11.261 39.450 ( -5.611 8.172 -7.055) 12.167 39.599 ( -1.476 -4.533 -8.169) 9.459 39.926 ( 2.214 6.365 2.660) 7.245 40.088 ( 8.061 -8.537 5.339) 12.898 40.852 ( -13.839 -0.404 -0.734) 13.865 40.903 ( -11.567 -5.078 -0.383) 12.638 41.978 ( 6.934 2.771 1.001) 7.534 42.008 ( 7.722 -0.010 -1.725) 7.913 ======================= Grid point 175 (93/96) ======================= q-point: ( 0.33 0.45 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -2.884 1.432 -5.975) 6.788 2.324 ( -4.306 -4.518 -7.187) 9.519 2.764 ( 3.338 4.808 7.425) 9.454 2.879 ( 4.199 -6.073 8.983) 11.627 3.100 ( 3.154 5.922 1.793) 6.945 3.170 ( 4.994 -1.899 2.340) 5.833 3.313 ( -4.466 8.044 0.024) 9.200 3.373 ( 1.098 5.596 1.099) 5.808 3.496 ( -5.279 -1.880 -1.785) 5.881 3.533 ( 3.077 -2.089 -3.741) 5.275 3.667 ( -3.684 7.257 -2.143) 8.416 3.718 ( -2.912 6.016 -1.647) 6.884 3.850 ( -4.927 -1.710 0.987) 5.308 3.891 ( -3.675 -2.233 0.766) 4.368 4.357 ( 3.324 3.616 -1.954) 5.286 4.386 ( -1.437 1.334 6.657) 6.940 4.549 ( 9.579 -2.041 -5.394) 11.181 4.611 ( 10.372 -7.183 -4.901) 13.535 4.799 ( 2.347 17.000 -0.219) 17.162 5.114 ( -5.431 8.108 -2.839) 10.163 5.167 ( 6.788 -16.075 1.205) 17.491 5.217 ( -2.449 -2.815 2.485) 4.483 5.575 ( 3.078 16.868 -4.133) 17.638 5.671 ( -0.100 2.883 0.532) 2.934 5.768 ( -2.446 23.573 2.521) 23.834 5.919 ( -9.697 -2.838 -5.465) 11.487 6.055 ( 0.497 -10.754 -2.493) 11.051 6.147 ( -2.695 -13.638 0.447) 13.909 6.710 ( 1.178 14.696 12.383) 19.254 6.824 ( -7.907 4.002 -4.678) 10.021 6.949 ( 4.220 4.629 3.604) 7.226 7.294 ( 3.932 -17.416 2.002) 17.966 7.965 ( -13.623 15.036 -11.488) 23.316 8.095 ( -4.422 3.761 -4.912) 7.604 8.287 ( 6.042 4.768 5.248) 9.316 8.438 ( 11.589 -6.292 9.072) 16.006 8.598 ( 1.822 5.375 -2.506) 6.204 8.850 ( 1.710 -15.758 -0.721) 15.866 9.266 ( -1.314 4.267 -2.767) 5.252 9.334 ( -2.382 -1.275 -5.207) 5.866 9.715 ( 3.438 11.578 4.264) 12.808 9.759 ( 2.502 12.149 3.879) 12.996 10.177 ( -0.828 18.165 1.365) 18.235 10.274 ( 0.362 19.041 2.331) 19.187 10.433 ( -1.134 -1.840 -0.062) 2.162 10.497 ( -0.705 0.661 -1.036) 1.417 10.579 ( -0.787 -7.188 2.394) 7.617 10.653 ( -1.231 2.869 -0.257) 3.133 10.719 ( -2.200 8.477 -1.420) 8.872 10.910 ( -2.567 6.658 -2.004) 7.412 11.233 ( 5.380 1.851 2.525) 6.224 11.296 ( 0.438 -1.943 -2.263) 3.015 11.539 ( -0.714 -0.784 4.002) 4.141 11.753 ( -1.474 -6.653 0.263) 6.819 11.849 ( -2.021 -4.360 2.219) 5.294 12.002 ( -0.724 -20.814 -0.711) 20.838 12.715 ( -1.465 9.453 -1.069) 9.626 12.840 ( -1.131 1.764 -2.438) 3.215 13.137 ( -1.567 -15.854 -1.038) 15.965 13.189 ( -0.991 -17.950 -3.224) 18.264 14.703 ( 2.600 -1.964 1.872) 3.758 14.843 ( 2.444 -13.357 1.883) 13.708 15.080 ( -1.345 -4.115 -3.219) 5.394 15.097 ( 1.216 -4.853 -1.402) 5.196 15.458 ( 1.472 -1.839 1.153) 2.623 15.471 ( 0.097 -2.985 0.504) 3.029 15.773 ( -0.581 1.860 0.167) 1.956 15.859 ( -1.807 -7.117 -0.229) 7.346 16.406 ( 2.140 6.132 1.663) 6.704 16.545 ( 0.119 -7.176 0.693) 7.210 16.973 ( 2.331 4.396 1.490) 5.194 17.073 ( 2.643 -5.294 1.588) 6.127 17.551 ( -1.428 11.244 0.434) 11.343 17.788 ( -2.021 -10.831 -0.997) 11.063 18.600 ( 0.570 14.289 1.990) 14.438 18.926 ( -0.463 -17.564 -1.417) 17.627 19.662 ( 0.922 8.457 -0.227) 8.510 19.808 ( 0.429 -6.378 0.642) 6.425 20.083 ( -1.661 3.094 -2.920) 4.567 20.134 ( -0.444 -1.037 -2.558) 2.796 20.567 ( 1.635 2.928 1.071) 3.520 20.592 ( 2.188 0.999 1.318) 2.743 20.746 ( 0.206 -0.615 0.583) 0.872 20.800 ( -1.188 -5.254 -2.239) 5.833 21.006 ( -3.659 1.975 -2.961) 5.104 21.071 ( -5.482 -3.111 -4.407) 7.691 21.318 ( 4.117 9.203 4.772) 11.154 21.531 ( -1.228 -0.820 -0.600) 1.593 21.550 ( 0.315 -5.406 -2.856) 6.122 21.591 ( -3.165 -7.088 -1.158) 7.849 22.042 ( 2.751 2.348 2.020) 4.143 22.124 ( 2.834 -5.118 0.755) 5.898 22.371 ( 2.848 6.539 -0.500) 7.150 22.505 ( 0.435 -6.243 2.014) 6.574 23.324 ( 5.466 9.739 4.089) 11.893 23.521 ( 10.126 -4.009 8.585) 13.868 23.555 ( -6.693 8.716 -2.012) 11.172 23.780 ( -0.546 -9.404 2.611) 9.775 23.940 ( 0.957 2.960 2.175) 3.796 24.034 ( 1.553 -4.680 -0.074) 4.931 24.233 ( -3.229 1.936 -2.609) 4.581 24.337 ( -2.953 -6.601 -3.110) 7.871 24.643 ( -2.305 2.066 -0.971) 3.244 24.712 ( -2.191 -6.217 -6.870) 9.521 25.026 ( -2.688 1.639 1.381) 3.437 25.030 ( -2.434 0.946 1.543) 3.034 25.562 ( 1.112 1.618 -0.582) 2.047 25.612 ( 0.677 -3.155 -1.507) 3.561 29.592 ( -1.487 7.641 1.985) 8.034 29.672 ( -0.778 0.472 -1.598) 1.839 29.922 ( 0.099 -0.060 1.146) 1.152 29.953 ( -0.225 -3.119 -0.649) 3.193 30.848 ( 1.645 5.050 -0.658) 5.351 30.882 ( 0.973 5.644 -0.046) 5.727 30.937 ( 0.612 -1.557 0.876) 1.888 31.000 ( 0.917 -3.761 -0.738) 3.941 37.370 ( -0.182 3.348 1.165) 3.549 37.406 ( -0.347 -0.219 0.693) 0.806 37.888 ( 3.985 4.736 4.129) 7.441 37.938 ( 4.725 0.046 3.231) 5.724 38.423 ( -6.987 4.986 -5.775) 10.346 38.478 ( -8.483 -0.457 -5.041) 9.879 39.266 ( -3.808 9.803 -6.463) 12.344 39.388 ( -6.052 -2.459 -7.094) 9.644 39.549 ( 9.999 5.385 6.097) 12.890 39.644 ( 12.641 -3.380 9.624) 16.243 40.025 ( 3.313 12.124 0.996) 12.608 40.272 ( 7.647 -10.544 4.134) 13.666 40.545 ( -16.660 2.026 -3.998) 17.252 40.662 ( -12.808 -8.171 -0.538) 15.202 42.101 ( 5.261 1.541 0.228) 5.487 42.124 ( 5.404 -0.473 -1.254) 5.568 ======================= Grid point 176 (94/96) ======================= q-point: (-0.50 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 0.457 -1.197 -2.633) 2.928 2.227 ( -0.915 -3.494 -4.875) 6.067 2.927 ( 6.052 4.841 10.836) 13.322 3.023 ( 3.202 -4.566 8.773) 10.396 3.105 ( -4.217 4.750 -5.910) 8.677 3.147 ( -5.792 -1.002 -5.297) 7.913 3.324 ( 1.908 4.830 5.242) 7.379 3.383 ( 1.412 -1.373 4.814) 5.201 3.442 ( 0.503 5.323 -5.182) 7.446 3.539 ( 2.086 -2.750 -7.993) 8.706 3.610 ( -1.331 8.480 1.897) 8.791 3.661 ( -1.209 5.667 -1.374) 5.955 3.811 ( 0.012 0.203 2.283) 2.292 3.852 ( 0.215 -1.321 -1.261) 1.839 4.356 ( -5.468 3.643 4.344) 7.877 4.409 ( 3.182 -0.217 -0.881) 3.309 4.637 ( 2.492 -0.969 -1.887) 3.273 4.657 ( -2.268 -1.563 -3.633) 4.559 4.883 ( 1.840 15.392 6.201) 16.696 5.022 ( -3.053 12.636 -7.750) 15.134 5.229 ( -2.862 -13.861 3.177) 14.506 5.258 ( 5.769 -7.142 0.627) 9.203 5.522 ( 5.344 7.385 -0.210) 9.118 5.563 ( -11.506 9.035 -4.745) 15.379 5.762 ( 1.556 5.394 3.497) 6.614 5.834 ( 0.759 10.844 -2.964) 11.267 6.021 ( -7.059 -12.389 1.692) 14.359 6.086 ( 3.134 -10.618 -4.408) 11.916 6.720 ( 0.472 0.916 2.267) 2.490 6.769 ( -2.944 -2.496 -1.700) 4.217 7.193 ( 15.868 18.349 14.915) 28.477 7.432 ( -3.900 5.359 -2.981) 7.268 7.664 ( -0.082 1.762 -0.485) 1.829 7.855 ( -10.755 -7.452 -13.607) 18.877 8.504 ( 6.751 7.567 7.470) 12.595 8.602 ( -1.165 7.105 -2.765) 7.712 8.693 ( 7.454 -6.486 8.218) 12.852 8.830 ( -3.851 -10.453 -5.661) 12.496 9.215 ( -1.403 5.818 -0.572) 6.012 9.246 ( -1.871 3.059 -3.745) 5.185 9.811 ( 2.316 12.208 3.154) 12.820 9.831 ( 1.322 8.460 1.479) 8.689 10.210 ( 4.125 12.307 3.692) 13.495 10.292 ( -4.704 5.561 -4.365) 8.492 10.396 ( 5.000 14.179 6.608) 16.423 10.521 ( -7.306 6.436 -4.408) 10.688 10.561 ( 3.794 -1.854 1.414) 4.453 10.595 ( -1.905 8.949 -2.580) 9.507 10.700 ( 2.194 -2.231 3.059) 4.376 10.772 ( -5.500 1.670 -4.498) 7.299 11.306 ( -0.973 -4.127 1.850) 4.626 11.334 ( 1.936 -5.642 -1.050) 6.056 11.593 ( 3.922 3.614 5.694) 7.802 11.692 ( -3.047 0.500 -4.418) 5.390 11.872 ( 0.649 -10.403 5.540) 11.804 11.965 ( -0.576 -17.300 -3.791) 17.719 12.719 ( 1.801 4.617 1.785) 5.268 12.775 ( -2.686 2.090 -3.781) 5.087 13.112 ( -0.895 -14.886 0.833) 14.936 13.153 ( 0.167 -16.738 -3.208) 17.044 14.835 ( 6.920 0.364 6.222) 9.313 14.941 ( -3.087 -2.805 -1.965) 4.611 14.988 ( 1.859 -9.191 0.771) 9.409 15.060 ( -3.523 -9.638 -3.953) 10.996 15.475 ( 0.696 -3.963 0.796) 4.102 15.484 ( -0.471 -4.419 0.083) 4.445 15.764 ( 0.990 -0.612 0.353) 1.216 15.784 ( -3.184 -2.875 -1.763) 4.638 16.476 ( 3.207 0.751 2.415) 4.085 16.513 ( -2.894 -2.805 -1.523) 4.308 17.088 ( 5.544 3.232 4.453) 7.811 17.136 ( -0.861 -0.993 0.027) 1.314 17.541 ( 2.878 5.453 2.697) 6.731 17.630 ( -8.009 -2.117 -6.137) 10.310 18.727 ( 6.594 1.705 6.716) 9.565 18.848 ( -4.815 -9.550 -5.613) 12.079 19.744 ( 4.757 3.873 3.953) 7.297 19.814 ( -1.927 -2.698 -2.141) 3.947 20.020 ( -0.939 4.227 0.072) 4.330 20.076 ( -1.881 -0.701 -4.511) 4.937 20.643 ( 4.201 3.440 3.132) 6.268 20.653 ( 0.685 2.372 2.014) 3.186 20.719 ( -2.397 1.563 -0.717) 2.950 20.741 ( -2.288 -1.527 -3.459) 4.419 20.921 ( -0.588 -3.413 -0.955) 3.592 20.953 ( -2.730 -4.934 -3.576) 6.677 21.425 ( 2.647 2.313 4.193) 5.471 21.500 ( -1.593 -1.535 -3.791) 4.389 21.542 ( -0.556 -2.347 0.248) 2.425 21.553 ( 1.121 -6.104 -1.077) 6.299 22.079 ( 0.476 0.081 1.851) 1.913 22.109 ( -1.826 -2.731 -1.286) 3.528 22.495 ( 5.229 2.817 2.807) 6.570 22.518 ( -2.359 0.734 0.543) 2.530 23.384 ( 1.060 5.986 1.948) 6.384 23.410 ( -4.715 4.898 -0.996) 6.871 23.745 ( 5.719 1.477 5.308) 7.941 23.806 ( -0.361 -1.833 -0.470) 1.927 24.040 ( 4.941 -1.307 6.790) 8.499 24.072 ( 0.994 -2.006 1.353) 2.616 24.160 ( -1.578 -3.058 -2.005) 3.983 24.237 ( -3.839 -10.037 -6.455) 12.536 24.588 ( -2.374 1.503 -0.272) 2.823 24.628 ( -0.358 -2.794 -4.834) 5.595 24.996 ( -0.603 1.949 0.886) 2.225 25.005 ( -0.001 0.859 0.064) 0.862 25.585 ( 0.634 0.092 0.583) 0.866 25.606 ( -0.261 -1.890 -1.476) 2.412 29.600 ( 0.153 6.583 2.507) 7.046 29.647 ( 0.113 2.621 -2.378) 3.541 29.925 ( -1.230 -1.162 1.516) 2.272 29.951 ( 1.044 -3.070 -1.139) 3.437 30.870 ( 0.049 5.475 0.423) 5.491 30.883 ( 0.048 5.173 -0.822) 5.238 30.962 ( 0.660 -2.075 1.571) 2.685 30.992 ( -0.686 -3.481 -1.543) 3.869 37.388 ( 0.672 2.740 1.375) 3.138 37.403 ( -0.160 1.273 -0.223) 1.303 38.002 ( 3.229 3.230 5.332) 7.020 38.040 ( 2.299 -0.486 2.256) 3.258 38.281 ( -2.624 3.964 -3.534) 5.924 38.303 ( -5.112 1.895 -4.847) 7.295 39.201 ( 0.671 4.567 -1.088) 4.743 39.234 ( -3.783 1.304 -4.362) 5.919 39.798 ( 8.852 8.170 6.623) 13.747 39.877 ( -0.233 0.718 -0.541) 0.929 40.077 ( 7.801 8.299 5.343) 12.581 40.201 ( -13.862 -0.615 -6.411) 15.285 40.447 ( 6.506 -7.954 2.526) 10.582 40.488 ( -4.144 -9.006 -1.610) 10.043 42.150 ( -0.474 0.998 0.425) 1.184 42.167 ( 0.537 -0.414 -1.262) 1.433 ======================= Grid point 177 (95/96) ======================= q-point: (-0.33 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 2.307 -1.030 -1.024) 2.727 2.238 ( 3.740 -3.037 1.429) 5.025 2.915 ( -5.978 3.923 -8.011) 10.738 2.991 ( -6.431 -3.981 -2.336) 7.916 3.080 ( 0.488 5.024 5.544) 7.497 3.137 ( 0.835 -1.150 4.606) 4.820 3.368 ( -0.356 6.083 -0.725) 6.136 3.402 ( 1.750 3.715 -5.425) 6.804 3.436 ( -0.665 -1.315 3.594) 3.885 3.504 ( 2.056 -3.954 -4.249) 6.158 3.653 ( 2.446 8.653 3.354) 9.597 3.680 ( 4.086 9.158 -0.270) 10.032 3.867 ( 3.173 -1.920 1.669) 4.067 3.898 ( 5.790 -1.611 -1.423) 6.176 4.273 ( -7.660 6.282 5.510) 11.336 4.431 ( -5.538 -7.449 3.992) 10.104 4.532 ( -1.995 3.057 -5.646) 6.723 4.604 ( -4.679 -3.567 -3.476) 6.833 4.805 ( -8.860 15.020 -1.172) 17.477 5.003 ( 3.489 5.554 6.651) 9.341 5.224 ( -4.396 -7.512 -3.197) 9.273 5.261 ( 1.325 -6.130 -1.724) 6.504 5.492 ( -2.062 14.173 2.879) 14.609 5.668 ( -0.980 0.066 2.088) 2.308 5.775 ( 10.580 12.955 2.983) 16.990 5.870 ( 2.054 8.095 -2.226) 8.644 5.947 ( 0.789 -10.368 6.506) 12.266 6.183 ( 4.827 -11.199 -1.259) 12.260 6.750 ( 2.508 2.457 2.107) 4.094 6.823 ( 5.913 -3.384 3.352) 7.592 7.082 ( -13.329 19.284 -14.246) 27.432 7.426 ( -6.095 -8.669 -7.346) 12.894 7.749 ( 13.806 10.747 8.696) 19.537 7.935 ( 12.322 -4.772 10.291) 16.748 8.439 ( -9.569 7.891 -8.372) 14.964 8.566 ( -2.877 7.560 0.884) 8.137 8.615 ( -11.249 -5.824 -9.405) 15.777 8.824 ( 0.588 -13.061 2.849) 13.381 9.227 ( 0.799 3.390 0.889) 3.594 9.240 ( 2.533 2.875 4.065) 5.586 9.791 ( -3.497 12.040 -3.399) 12.990 9.818 ( -2.025 9.625 -1.802) 9.999 10.219 ( 1.068 18.676 -2.460) 18.867 10.305 ( -1.267 15.066 -0.728) 15.137 10.430 ( 4.888 3.715 0.758) 6.186 10.500 ( -4.250 -1.785 -2.206) 5.110 10.586 ( 4.588 9.145 5.376) 11.558 10.625 ( 2.045 -1.125 -0.767) 2.457 10.707 ( 1.262 1.011 -0.285) 1.642 10.824 ( 6.305 1.417 5.961) 8.792 11.251 ( -4.655 -4.583 1.153) 6.634 11.306 ( -3.826 -1.053 -2.919) 4.926 11.617 ( -0.051 0.542 -3.988) 4.025 11.726 ( 4.835 -0.940 2.718) 5.626 11.889 ( -0.892 -12.035 -0.234) 12.070 11.985 ( 3.583 -15.333 0.102) 15.746 12.714 ( -0.663 7.274 -1.376) 7.433 12.786 ( 2.362 0.510 2.895) 3.771 13.116 ( -0.270 -14.690 2.005) 14.829 13.149 ( 1.547 -16.968 -0.682) 17.052 14.769 ( -6.666 -0.616 -4.855) 8.269 14.912 ( -5.996 -12.576 -4.739) 14.716 14.998 ( 3.680 -2.040 4.852) 6.423 15.062 ( 0.371 -7.563 2.195) 7.884 15.464 ( -0.443 -2.420 0.184) 2.467 15.486 ( -0.625 -3.943 -0.408) 4.013 15.771 ( 1.440 1.314 0.361) 1.983 15.836 ( 4.215 -5.632 2.021) 7.319 16.440 ( -2.979 4.159 -1.726) 5.399 16.541 ( 1.801 -5.564 1.188) 5.967 17.026 ( -5.663 4.695 -3.783) 8.272 17.118 ( -3.741 -4.059 -2.276) 5.970 17.547 ( 1.839 9.049 0.359) 9.241 17.716 ( 8.217 -6.104 6.111) 11.922 18.687 ( -5.669 5.921 -6.692) 10.582 18.874 ( 3.750 -11.881 4.149) 13.132 19.695 ( -4.908 7.120 -3.898) 9.486 19.814 ( -0.111 -5.624 0.714) 5.670 20.051 ( 1.821 2.182 -0.320) 2.860 20.071 ( 2.191 0.023 3.649) 4.257 20.586 ( -3.185 4.143 -1.076) 5.335 20.641 ( -3.758 -1.287 -3.760) 5.470 20.724 ( -0.465 0.308 2.873) 2.927 20.769 ( 2.567 -2.581 1.804) 4.062 20.938 ( 4.730 0.251 2.587) 5.397 21.001 ( 5.551 -4.478 2.533) 7.568 21.410 ( -4.118 2.769 -4.546) 6.730 21.488 ( 1.038 -1.026 3.013) 3.348 21.530 ( 0.128 -1.452 -0.257) 1.480 21.592 ( 3.028 -5.355 -0.970) 6.228 22.067 ( -2.204 0.161 -0.460) 2.257 22.106 ( 0.006 -3.372 2.515) 4.206 22.389 ( -8.475 7.616 -1.926) 11.556 22.539 ( -1.341 -6.377 -1.374) 6.660 23.364 ( -1.194 10.187 0.663) 10.279 23.487 ( 5.937 2.069 4.023) 7.464 23.692 ( -6.852 6.129 -7.263) 11.716 23.830 ( 1.139 -4.821 -1.749) 5.253 24.021 ( -4.166 -3.201 -5.303) 7.465 24.046 ( -2.645 -3.190 -1.681) 4.472 24.192 ( 2.669 -3.275 1.284) 4.415 24.244 ( 4.121 -9.158 5.935) 11.665 24.592 ( 1.096 2.057 4.360) 4.944 24.634 ( 2.447 -1.305 -0.204) 2.781 25.035 ( 3.650 1.401 1.013) 4.039 25.042 ( 3.510 0.732 -0.239) 3.593 25.566 ( -2.134 0.336 -0.825) 2.312 25.591 ( -0.879 -2.138 0.327) 2.335 29.622 ( 0.610 5.744 0.318) 5.785 29.653 ( 2.121 3.296 -0.878) 4.017 29.914 ( -1.101 0.088 1.471) 1.840 29.963 ( 0.982 -4.118 -1.046) 4.361 30.841 ( -2.413 5.739 0.118) 6.227 30.883 ( -0.382 4.112 -0.323) 4.142 30.957 ( -1.217 -2.250 -0.911) 2.715 30.982 ( -0.132 -2.459 0.966) 2.646 37.390 ( -0.201 3.115 -0.727) 3.205 37.414 ( 0.815 0.769 -0.004) 1.121 37.986 ( -4.398 3.211 -5.272) 7.580 38.014 ( -3.367 0.709 -3.729) 5.074 38.292 ( 3.773 5.031 6.045) 8.723 38.346 ( 5.939 -0.357 7.483) 9.560 39.204 ( 2.370 6.478 0.573) 6.922 39.277 ( 5.860 -0.771 3.971) 7.120 39.678 ( -11.336 7.891 -6.707) 15.354 39.824 ( -10.977 -6.376 -8.982) 15.551 40.009 ( 0.254 14.503 2.833) 14.779 40.314 ( -1.042 -15.119 2.078) 15.296 40.473 ( 13.113 7.437 1.332) 15.134 40.645 ( 11.941 -9.368 1.069) 15.215 42.094 ( -5.843 1.958 0.702) 6.202 42.123 ( -4.278 -0.758 -1.014) 4.462 ======================= Grid point 178 (96/96) ======================= q-point: (-0.17 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 5.319 2.009 3.244) 6.546 2.356 ( 5.913 -3.774 5.633) 8.997 2.779 ( -3.615 3.444 -6.857) 8.482 2.870 ( -4.485 -5.642 -4.455) 8.473 3.076 ( -1.110 5.438 -0.998) 5.640 3.106 ( -3.781 0.378 -0.833) 3.890 3.346 ( -1.720 5.855 0.211) 6.106 3.391 ( 0.199 2.895 -4.796) 5.606 3.455 ( 1.949 3.334 3.633) 5.302 3.564 ( 3.538 -3.799 2.362) 5.703 3.721 ( 2.454 9.589 2.538) 10.218 3.772 ( 4.751 5.819 0.422) 7.524 3.953 ( 4.081 -3.166 2.527) 5.750 3.979 ( 4.341 -2.973 -1.537) 5.481 4.188 ( -7.160 4.007 8.155) 11.568 4.269 ( -13.197 -1.898 4.348) 14.024 4.425 ( -5.201 3.713 -8.029) 10.261 4.520 ( 1.067 -7.525 -8.365) 11.302 4.785 ( 3.537 10.966 3.445) 12.026 5.040 ( -3.219 -11.202 2.811) 11.989 5.176 ( 1.955 6.418 3.041) 7.366 5.277 ( 0.535 -2.714 0.067) 2.767 5.504 ( 1.221 14.494 3.162) 14.885 5.601 ( -5.405 4.109 0.956) 6.856 5.820 ( -3.512 17.228 -3.684) 17.964 5.977 ( 1.092 -5.494 0.937) 5.679 6.051 ( 2.907 -1.806 2.776) 4.406 6.224 ( 2.277 -10.972 -1.455) 11.299 6.796 ( 2.106 23.673 0.752) 23.779 6.887 ( 2.205 3.447 -2.721) 4.914 6.956 ( 2.156 -2.496 0.148) 3.301 7.277 ( 0.450 -20.091 -2.478) 20.249 8.075 ( -8.686 13.182 -6.643) 17.127 8.111 ( 13.855 13.259 9.449) 21.379 8.286 ( -6.371 -3.102 -4.781) 8.548 8.341 ( 3.353 -5.972 -0.479) 6.866 8.534 ( -1.071 5.840 3.786) 7.042 8.815 ( -0.615 -16.105 1.593) 16.195 9.255 ( -0.281 2.461 0.952) 2.654 9.316 ( 0.522 -2.497 3.224) 4.111 9.707 ( -1.883 13.555 -3.389) 14.098 9.747 ( -2.840 14.837 -3.375) 15.479 10.210 ( 1.251 14.538 -1.037) 14.629 10.302 ( 1.398 17.562 -0.842) 17.638 10.443 ( 0.488 -1.108 -0.274) 1.241 10.524 ( 0.978 4.967 -0.974) 5.156 10.596 ( -1.750 -1.142 -1.711) 2.701 10.680 ( 2.694 2.813 1.836) 4.306 10.742 ( 1.279 1.108 -0.347) 1.728 10.894 ( -4.253 8.573 -2.198) 9.819 11.158 ( -3.552 -5.337 -0.016) 6.411 11.284 ( 1.889 -1.331 3.349) 4.069 11.589 ( 0.232 -0.638 -3.776) 3.836 11.780 ( 0.391 -4.579 -1.371) 4.796 11.896 ( 1.591 -8.031 0.466) 8.200 12.021 ( 0.785 -14.614 -1.709) 14.735 12.734 ( 2.067 8.421 1.650) 8.827 12.831 ( 0.332 0.116 1.742) 1.777 13.137 ( 0.815 -15.191 2.778) 15.464 13.194 ( 2.173 -17.740 1.557) 17.940 14.687 ( 0.266 -1.885 0.514) 1.972 14.835 ( 1.136 -13.735 0.911) 13.812 15.039 ( -3.015 -2.662 0.137) 4.025 15.069 ( 0.328 -5.698 2.736) 6.329 15.445 ( -1.578 -1.468 -1.630) 2.702 15.471 ( -0.433 -3.205 -0.453) 3.266 15.784 ( -0.279 2.259 -1.179) 2.564 15.877 ( -0.695 -7.206 -1.508) 7.395 16.391 ( -0.955 6.985 -1.000) 7.120 16.544 ( -1.256 -7.773 -1.626) 8.040 16.959 ( 0.261 4.489 0.390) 4.513 17.053 ( -0.385 -4.455 -0.074) 4.472 17.573 ( -0.204 9.652 -1.390) 9.753 17.786 ( -3.391 -10.057 -3.230) 11.094 18.638 ( 4.147 12.470 1.374) 13.213 18.912 ( -1.338 -14.214 -0.206) 14.278 19.662 ( 2.525 8.158 2.358) 8.860 19.806 ( -0.117 -7.063 0.295) 7.070 20.077 ( -0.064 1.999 0.385) 2.037 20.109 ( -0.691 -1.170 1.722) 2.194 20.562 ( 0.183 2.040 -0.229) 2.061 20.579 ( 0.022 1.116 -0.207) 1.135 20.720 ( -1.092 -1.021 1.607) 2.195 20.790 ( -0.911 -7.394 1.515) 7.603 21.039 ( 1.692 2.809 0.117) 3.281 21.129 ( 2.992 -5.740 1.064) 6.560 21.311 ( 0.154 11.139 -2.406) 11.397 21.493 ( -2.481 -5.212 1.590) 5.987 21.584 ( 5.182 1.878 1.735) 5.779 21.651 ( 3.944 -4.945 0.840) 6.381 21.993 ( -5.391 0.785 -2.436) 5.967 22.049 ( -7.021 -3.939 -2.927) 8.566 22.316 ( 0.970 7.673 5.884) 9.718 22.515 ( 1.036 -10.320 0.756) 10.400 23.262 ( -7.233 10.940 -7.131) 14.929 23.442 ( -9.772 -1.814 -11.138) 14.928 23.640 ( 5.402 7.175 2.942) 9.451 23.820 ( 0.180 -7.284 -2.429) 7.681 23.969 ( 2.051 -1.768 -1.916) 3.317 24.008 ( -1.099 -3.445 -0.289) 3.628 24.264 ( 3.178 0.812 3.386) 4.714 24.345 ( 2.188 -5.694 4.667) 7.680 24.649 ( 0.769 0.993 4.038) 4.229 24.698 ( 2.580 -2.614 3.202) 4.872 25.085 ( 1.189 1.521 -2.109) 2.859 25.093 ( 1.910 0.157 -2.050) 2.807 25.541 ( 0.157 1.102 1.284) 1.700 25.582 ( -0.555 -2.867 1.536) 3.300 29.639 ( 1.486 6.023 -0.409) 6.217 29.682 ( 1.158 2.170 -0.708) 2.560 29.913 ( -0.347 0.705 1.506) 1.699 29.963 ( 0.011 -3.889 -1.191) 4.067 30.807 ( -1.498 6.003 1.096) 6.283 30.865 ( -0.902 3.298 -0.530) 3.460 30.935 ( -0.414 -1.375 -0.520) 1.528 30.975 ( -1.155 -2.452 0.195) 2.717 37.387 ( 0.575 3.128 -0.624) 3.241 37.419 ( 0.063 -0.090 -0.611) 0.621 37.869 ( -2.984 4.272 -5.009) 7.228 37.902 ( -3.788 1.213 -5.128) 6.489 38.459 ( 5.765 5.820 10.472) 13.296 38.536 ( 5.907 -1.753 10.040) 11.780 39.305 ( 5.318 10.985 1.596) 12.308 39.411 ( -2.154 1.373 -1.053) 2.763 39.451 ( -3.015 1.895 -0.041) 3.561 39.555 ( -5.565 -7.083 -7.990) 12.041 39.985 ( -3.162 9.751 -2.717) 10.605 40.195 ( -6.651 -9.864 -5.838) 13.253 40.792 ( 14.262 1.742 5.190) 15.276 40.882 ( 11.583 -6.651 1.676) 13.462 41.972 ( -7.617 3.326 1.178) 8.394 42.011 ( -5.984 -0.448 -1.700) 6.237 =================== 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 3/43560 10.0 419.603 292.575 450.567 0.000 24.973 0.000 3/43560 20.0 70.133 87.607 69.785 0.000 14.529 0.000 3/43560 30.0 25.678 40.258 24.636 0.000 5.249 0.000 3/43560 40.0 13.831 24.384 13.347 0.000 2.646 0.000 3/43560 50.0 9.175 17.258 8.886 0.000 1.662 0.000 3/43560 60.0 6.840 13.359 6.617 0.000 1.207 0.000 3/43560 70.0 5.471 10.935 5.271 0.000 0.966 0.000 3/43560 80.0 4.580 9.291 4.389 0.000 0.823 0.000 3/43560 90.0 3.958 8.109 3.769 0.000 0.732 0.000 3/43560 100.0 3.498 7.221 3.311 0.000 0.668 0.000 3/43560 110.0 3.144 6.531 2.958 0.000 0.622 0.000 3/43560 120.0 2.864 5.979 2.679 0.000 0.586 0.000 3/43560 130.0 2.636 5.527 2.452 0.000 0.557 0.000 3/43560 140.0 2.446 5.151 2.264 0.000 0.532 0.000 3/43560 150.0 2.285 4.831 2.106 0.000 0.512 0.000 3/43560 160.0 2.148 4.556 1.970 0.000 0.494 0.000 3/43560 170.0 2.028 4.316 1.853 0.000 0.478 0.000 3/43560 180.0 1.923 4.105 1.751 0.000 0.463 0.000 3/43560 190.0 1.830 3.916 1.660 0.000 0.450 0.000 3/43560 200.0 1.747 3.747 1.580 0.000 0.438 0.000 3/43560 210.0 1.672 3.594 1.508 0.000 0.427 0.000 3/43560 220.0 1.604 3.454 1.443 0.000 0.416 0.000 3/43560 230.0 1.543 3.326 1.384 0.000 0.406 0.000 3/43560 240.0 1.486 3.208 1.330 0.000 0.396 0.000 3/43560 250.0 1.434 3.099 1.281 0.000 0.387 0.000 3/43560 260.0 1.386 2.998 1.236 0.000 0.379 0.000 3/43560 270.0 1.341 2.904 1.194 0.000 0.370 0.000 3/43560 280.0 1.300 2.815 1.155 0.000 0.362 0.000 3/43560 290.0 1.261 2.733 1.119 0.000 0.355 0.000 3/43560 300.0 1.225 2.655 1.085 0.000 0.347 0.000 3/43560 310.0 1.191 2.582 1.053 0.000 0.340 0.000 3/43560 320.0 1.159 2.513 1.024 0.000 0.334 0.000 3/43560 330.0 1.129 2.448 0.996 0.000 0.327 0.000 3/43560 340.0 1.101 2.386 0.970 0.000 0.321 0.000 3/43560 350.0 1.074 2.327 0.945 0.000 0.315 0.000 3/43560 360.0 1.048 2.272 0.921 0.000 0.309 0.000 3/43560 370.0 1.024 2.219 0.899 0.000 0.303 0.000 3/43560 380.0 1.001 2.168 0.878 0.000 0.298 0.000 3/43560 390.0 0.979 2.120 0.858 0.000 0.292 0.000 3/43560 400.0 0.958 2.074 0.839 0.000 0.287 0.000 3/43560 410.0 0.939 2.030 0.821 0.000 0.282 0.000 3/43560 420.0 0.920 1.988 0.803 0.000 0.278 0.000 3/43560 430.0 0.901 1.947 0.787 0.000 0.273 0.000 3/43560 440.0 0.884 1.909 0.771 0.000 0.268 0.000 3/43560 450.0 0.867 1.871 0.756 0.000 0.264 0.000 3/43560 460.0 0.851 1.836 0.741 0.000 0.260 0.000 3/43560 470.0 0.836 1.801 0.727 0.000 0.256 0.000 3/43560 480.0 0.821 1.768 0.714 0.000 0.252 0.000 3/43560 490.0 0.807 1.736 0.701 0.000 0.248 0.000 3/43560 500.0 0.793 1.705 0.688 0.000 0.244 0.000 3/43560 510.0 0.780 1.676 0.676 0.000 0.241 0.000 3/43560 520.0 0.767 1.647 0.665 0.000 0.237 0.000 3/43560 530.0 0.755 1.619 0.653 0.000 0.234 0.000 3/43560 540.0 0.743 1.593 0.643 0.000 0.230 0.000 3/43560 550.0 0.731 1.567 0.632 0.000 0.227 0.000 3/43560 560.0 0.720 1.542 0.622 0.000 0.224 0.000 3/43560 570.0 0.709 1.518 0.612 0.000 0.221 0.000 3/43560 580.0 0.699 1.494 0.603 0.000 0.218 0.000 3/43560 590.0 0.689 1.471 0.594 0.000 0.215 0.000 3/43560 600.0 0.679 1.449 0.585 0.000 0.212 0.000 3/43560 610.0 0.669 1.428 0.576 0.000 0.209 0.000 3/43560 620.0 0.660 1.407 0.568 0.000 0.206 0.000 3/43560 630.0 0.651 1.387 0.560 0.000 0.204 0.000 3/43560 640.0 0.642 1.367 0.552 0.000 0.201 0.000 3/43560 650.0 0.634 1.348 0.544 0.000 0.199 0.000 3/43560 660.0 0.625 1.330 0.537 0.000 0.196 0.000 3/43560 670.0 0.617 1.312 0.530 0.000 0.194 0.000 3/43560 680.0 0.609 1.294 0.523 0.000 0.192 0.000 3/43560 690.0 0.602 1.277 0.516 0.000 0.189 0.000 3/43560 700.0 0.594 1.261 0.509 0.000 0.187 0.000 3/43560 710.0 0.587 1.244 0.503 0.000 0.185 0.000 3/43560 720.0 0.580 1.229 0.496 0.000 0.183 0.000 3/43560 730.0 0.573 1.213 0.490 0.000 0.181 0.000 3/43560 740.0 0.566 1.198 0.484 0.000 0.179 0.000 3/43560 750.0 0.560 1.183 0.478 0.000 0.177 0.000 3/43560 760.0 0.553 1.169 0.473 0.000 0.175 0.000 3/43560 770.0 0.547 1.155 0.467 0.000 0.173 0.000 3/43560 780.0 0.541 1.142 0.462 0.000 0.171 0.000 3/43560 790.0 0.535 1.128 0.456 0.000 0.169 0.000 3/43560 800.0 0.529 1.115 0.451 0.000 0.167 0.000 3/43560 810.0 0.523 1.103 0.446 0.000 0.165 0.000 3/43560 820.0 0.518 1.090 0.441 0.000 0.164 0.000 3/43560 830.0 0.512 1.078 0.436 0.000 0.162 0.000 3/43560 840.0 0.507 1.066 0.431 0.000 0.160 0.000 3/43560 850.0 0.501 1.055 0.427 0.000 0.159 0.000 3/43560 860.0 0.496 1.043 0.422 0.000 0.157 0.000 3/43560 870.0 0.491 1.032 0.418 0.000 0.156 0.000 3/43560 880.0 0.486 1.021 0.413 0.000 0.154 0.000 3/43560 890.0 0.481 1.011 0.409 0.000 0.153 0.000 3/43560 900.0 0.477 1.000 0.405 0.000 0.151 0.000 3/43560 910.0 0.472 0.990 0.401 0.000 0.150 0.000 3/43560 920.0 0.468 0.980 0.397 0.000 0.148 0.000 3/43560 930.0 0.463 0.970 0.393 0.000 0.147 0.000 3/43560 940.0 0.459 0.960 0.389 0.000 0.146 0.000 3/43560 950.0 0.454 0.951 0.385 0.000 0.144 0.000 3/43560 960.0 0.450 0.942 0.382 0.000 0.143 0.000 3/43560 970.0 0.446 0.933 0.378 0.000 0.142 0.000 3/43560 980.0 0.442 0.924 0.374 0.000 0.140 0.000 3/43560 990.0 0.438 0.915 0.371 0.000 0.139 0.000 3/43560 1000.0 0.434 0.906 0.367 0.000 0.138 0.000 3/43560 Thermal conductivity related properties were written into "kappa-m6115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:01:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|