----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:58:49]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.874043370704818 0.000000000000000 0.000000000000000 b 0.000000000000000 5.644411690000001 0.000000000000000 c -4.124657998383433 0.000000000000000 10.464032086620854 Atomic positions (fractional): *1 S 0.29953865766594 0.26226059619279 0.65563086928195 32.065 2 S 0.70046134233406 0.76226059619279 0.84436913071805 32.065 3 S 0.70046134233406 0.73773940380721 0.34436913071805 32.065 4 S 0.29953865766594 0.23773940380721 0.15563086928195 32.065 *5 S 0.88186319813386 0.29759208023080 0.93948878345328 32.065 6 S 0.11813680186614 0.79759208023080 0.56051121654672 32.065 7 S 0.11813680186614 0.70240791976920 0.06051121654672 32.065 8 S 0.88186319813386 0.20240791976920 0.43948878345328 32.065 *9 S 0.69468833859693 0.26550702018809 0.59732005293891 32.065 10 S 0.30531166140307 0.76550702018809 0.90267994706109 32.065 11 S 0.30531166140307 0.73449297981191 0.40267994706109 32.065 12 S 0.69468833859693 0.23449297981191 0.09732005293892 32.065 *13 S 0.50059049883940 0.00601975311755 0.84590374357603 32.065 14 S 0.49940950116060 0.50601975311755 0.65409625642397 32.065 15 S 0.49940950116060 0.99398024688245 0.15409625642397 32.065 16 S 0.50059049883940 0.49398024688245 0.34590374357603 32.065 *17 S 0.90068640587499 0.76886187910804 0.71975334493271 32.065 18 S 0.09931359412501 0.26886187910804 0.78024665506729 32.065 19 S 0.09931359412501 0.23113812089196 0.28024665506729 32.065 20 S 0.90068640587499 0.73113812089196 0.21975334493271 32.065 *21 Ca 0.66494120633616 0.26304770401644 0.83299116862868 40.078 22 Ca 0.33505879366384 0.76304770401644 0.66700883137132 40.078 23 Ca 0.33505879366384 0.73695229598356 0.16700883137132 40.078 24 Ca 0.66494120633616 0.23695229598356 0.33299116862868 40.078 *25 Ca 0.10594911973894 0.72945385826313 0.30468045258249 40.078 26 Ca 0.89405088026106 0.22945385826313 0.19531954741751 40.078 27 Ca 0.89405088026106 0.27054614173687 0.69531954741751 40.078 28 Ca 0.10594911973894 0.77054614173687 0.80468045258249 40.078 *29 Sb 0.38121152850413 0.15855480664068 0.94230234164797 121.760 30 Sb 0.61878847149587 0.65855480664068 0.55769765835203 121.760 31 Sb 0.61878847149587 0.84144519335932 0.05769765835203 121.760 32 Sb 0.38121152850413 0.34144519335932 0.44230234164797 121.760 *33 Sb 0.12160435008372 0.23900723995724 0.57042042192210 121.760 34 Sb 0.87839564991628 0.73900723995724 0.92957957807790 121.760 35 Sb 0.87839564991628 0.76099276004276 0.42957957807790 121.760 36 Sb 0.12160435008372 0.26099276004276 0.07042042192210 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.874043370704818 0.000000000000000 0.000000000000000 b 0.000000000000000 5.644411690000001 0.000000000000000 c -4.124657998383433 0.000000000000000 10.464032086620854 Atomic positions (fractional): *1 S 0.29953865766594 0.26226059619279 0.65563086928195 32.065 > 1 2 S 0.70046134233406 0.76226059619279 0.84436913071805 32.065 > 2 3 S 0.70046134233406 0.73773940380721 0.34436913071805 32.065 > 3 4 S 0.29953865766594 0.23773940380721 0.15563086928195 32.065 > 4 *5 S 0.88186319813386 0.29759208023080 0.93948878345328 32.065 > 5 6 S 0.11813680186614 0.79759208023080 0.56051121654672 32.065 > 6 7 S 0.11813680186614 0.70240791976920 0.06051121654672 32.065 > 7 8 S 0.88186319813386 0.20240791976920 0.43948878345328 32.065 > 8 *9 S 0.69468833859693 0.26550702018809 0.59732005293891 32.065 > 9 10 S 0.30531166140307 0.76550702018809 0.90267994706109 32.065 > 10 11 S 0.30531166140307 0.73449297981191 0.40267994706109 32.065 > 11 12 S 0.69468833859693 0.23449297981191 0.09732005293892 32.065 > 12 *13 S 0.50059049883940 0.00601975311755 0.84590374357603 32.065 > 13 14 S 0.49940950116060 0.50601975311755 0.65409625642397 32.065 > 14 15 S 0.49940950116060 0.99398024688245 0.15409625642397 32.065 > 15 16 S 0.50059049883940 0.49398024688245 0.34590374357603 32.065 > 16 *17 S 0.90068640587499 0.76886187910804 0.71975334493271 32.065 > 17 18 S 0.09931359412501 0.26886187910804 0.78024665506729 32.065 > 18 19 S 0.09931359412501 0.23113812089196 0.28024665506729 32.065 > 19 20 S 0.90068640587499 0.73113812089196 0.21975334493271 32.065 > 20 *21 Ca 0.66494120633616 0.26304770401644 0.83299116862868 40.078 > 21 22 Ca 0.33505879366384 0.76304770401644 0.66700883137132 40.078 > 22 23 Ca 0.33505879366384 0.73695229598356 0.16700883137132 40.078 > 23 24 Ca 0.66494120633616 0.23695229598356 0.33299116862868 40.078 > 24 *25 Ca 0.10594911973894 0.72945385826313 0.30468045258249 40.078 > 25 26 Ca 0.89405088026106 0.22945385826313 0.19531954741751 40.078 > 26 27 Ca 0.89405088026106 0.27054614173687 0.69531954741751 40.078 > 27 28 Ca 0.10594911973894 0.77054614173687 0.80468045258249 40.078 > 28 *29 Sb 0.38121152850413 0.15855480664068 0.94230234164797 121.760 > 29 30 Sb 0.61878847149587 0.65855480664068 0.55769765835203 121.760 > 30 31 Sb 0.61878847149587 0.84144519335932 0.05769765835203 121.760 > 31 32 Sb 0.38121152850413 0.34144519335932 0.44230234164797 121.760 > 32 *33 Sb 0.12160435008372 0.23900723995724 0.57042042192210 121.760 > 33 34 Sb 0.87839564991628 0.73900723995724 0.92957957807790 121.760 > 34 35 Sb 0.87839564991628 0.76099276004276 0.42957957807790 121.760 > 35 36 Sb 0.12160435008372 0.26099276004276 0.07042042192210 121.760 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.874043370704818 0.000000000000000 0.000000000000000 b 0.000000000000000 11.288823380000002 0.000000000000000 c -8.249315996766866 0.000000000000000 20.928064173241708 Atomic positions (fractional): *1 S 0.29953865766594 0.13113029809640 0.32781543464098 32.065 > 1 2 S 0.29953865766594 0.63113029809640 0.32781543464098 32.065 > 1 3 S 0.29953865766594 0.13113029809640 0.82781543464098 32.065 > 1 4 S 0.29953865766594 0.63113029809640 0.82781543464098 32.065 > 1 5 S 0.70046134233406 0.38113029809640 0.42218456535902 32.065 > 2 6 S 0.70046134233406 0.88113029809640 0.42218456535902 32.065 > 2 7 S 0.70046134233406 0.38113029809640 0.92218456535902 32.065 > 2 8 S 0.70046134233406 0.88113029809640 0.92218456535902 32.065 > 2 9 S 0.70046134233406 0.36886970190360 0.17218456535902 32.065 > 3 10 S 0.70046134233406 0.86886970190360 0.17218456535902 32.065 > 3 11 S 0.70046134233406 0.36886970190360 0.67218456535902 32.065 > 3 12 S 0.70046134233406 0.86886970190360 0.67218456535902 32.065 > 3 13 S 0.29953865766594 0.11886970190360 0.07781543464098 32.065 > 4 14 S 0.29953865766594 0.61886970190360 0.07781543464098 32.065 > 4 15 S 0.29953865766594 0.11886970190360 0.57781543464098 32.065 > 4 16 S 0.29953865766594 0.61886970190360 0.57781543464098 32.065 > 4 *17 S 0.88186319813386 0.14879604011540 0.46974439172664 32.065 > 5 18 S 0.88186319813386 0.64879604011540 0.46974439172664 32.065 > 5 19 S 0.88186319813386 0.14879604011540 0.96974439172664 32.065 > 5 20 S 0.88186319813386 0.64879604011540 0.96974439172664 32.065 > 5 21 S 0.11813680186614 0.39879604011540 0.28025560827336 32.065 > 6 22 S 0.11813680186614 0.89879604011540 0.28025560827336 32.065 > 6 23 S 0.11813680186614 0.39879604011540 0.78025560827336 32.065 > 6 24 S 0.11813680186614 0.89879604011540 0.78025560827336 32.065 > 6 25 S 0.11813680186614 0.35120395988460 0.03025560827336 32.065 > 7 26 S 0.11813680186614 0.85120395988460 0.03025560827336 32.065 > 7 27 S 0.11813680186614 0.35120395988460 0.53025560827336 32.065 > 7 28 S 0.11813680186614 0.85120395988460 0.53025560827336 32.065 > 7 29 S 0.88186319813386 0.10120395988460 0.21974439172664 32.065 > 8 30 S 0.88186319813386 0.60120395988460 0.21974439172664 32.065 > 8 31 S 0.88186319813386 0.10120395988460 0.71974439172664 32.065 > 8 32 S 0.88186319813386 0.60120395988460 0.71974439172664 32.065 > 8 *33 S 0.69468833859693 0.13275351009405 0.29866002646946 32.065 > 9 34 S 0.69468833859693 0.63275351009405 0.29866002646946 32.065 > 9 35 S 0.69468833859693 0.13275351009405 0.79866002646946 32.065 > 9 36 S 0.69468833859693 0.63275351009405 0.79866002646946 32.065 > 9 37 S 0.30531166140307 0.38275351009405 0.45133997353054 32.065 > 10 38 S 0.30531166140307 0.88275351009405 0.45133997353054 32.065 > 10 39 S 0.30531166140307 0.38275351009405 0.95133997353054 32.065 > 10 40 S 0.30531166140307 0.88275351009405 0.95133997353054 32.065 > 10 41 S 0.30531166140307 0.36724648990595 0.20133997353054 32.065 > 11 42 S 0.30531166140307 0.86724648990595 0.20133997353054 32.065 > 11 43 S 0.30531166140307 0.36724648990595 0.70133997353054 32.065 > 11 44 S 0.30531166140307 0.86724648990595 0.70133997353054 32.065 > 11 45 S 0.69468833859693 0.11724648990595 0.04866002646946 32.065 > 12 46 S 0.69468833859693 0.61724648990595 0.04866002646946 32.065 > 12 47 S 0.69468833859693 0.11724648990595 0.54866002646946 32.065 > 12 48 S 0.69468833859693 0.61724648990595 0.54866002646946 32.065 > 12 *49 S 0.50059049883940 0.00300987655878 0.42295187178801 32.065 > 13 50 S 0.50059049883940 0.50300987655878 0.42295187178801 32.065 > 13 51 S 0.50059049883940 0.00300987655878 0.92295187178801 32.065 > 13 52 S 0.50059049883940 0.50300987655878 0.92295187178801 32.065 > 13 53 S 0.49940950116060 0.25300987655878 0.32704812821199 32.065 > 14 54 S 0.49940950116060 0.75300987655878 0.32704812821199 32.065 > 14 55 S 0.49940950116060 0.25300987655878 0.82704812821199 32.065 > 14 56 S 0.49940950116060 0.75300987655878 0.82704812821199 32.065 > 14 57 S 0.49940950116060 0.49699012344122 0.07704812821199 32.065 > 15 58 S 0.49940950116060 0.99699012344122 0.07704812821199 32.065 > 15 59 S 0.49940950116060 0.49699012344122 0.57704812821199 32.065 > 15 60 S 0.49940950116060 0.99699012344122 0.57704812821199 32.065 > 15 61 S 0.50059049883940 0.24699012344122 0.17295187178801 32.065 > 16 62 S 0.50059049883940 0.74699012344122 0.17295187178801 32.065 > 16 63 S 0.50059049883940 0.24699012344122 0.67295187178801 32.065 > 16 64 S 0.50059049883940 0.74699012344122 0.67295187178801 32.065 > 16 *65 S 0.90068640587499 0.38443093955402 0.35987667246636 32.065 > 17 66 S 0.90068640587499 0.88443093955402 0.35987667246636 32.065 > 17 67 S 0.90068640587499 0.38443093955402 0.85987667246636 32.065 > 17 68 S 0.90068640587499 0.88443093955402 0.85987667246636 32.065 > 17 69 S 0.09931359412501 0.13443093955402 0.39012332753364 32.065 > 18 70 S 0.09931359412501 0.63443093955402 0.39012332753364 32.065 > 18 71 S 0.09931359412501 0.13443093955402 0.89012332753364 32.065 > 18 72 S 0.09931359412501 0.63443093955402 0.89012332753364 32.065 > 18 73 S 0.09931359412501 0.11556906044598 0.14012332753364 32.065 > 19 74 S 0.09931359412501 0.61556906044598 0.14012332753364 32.065 > 19 75 S 0.09931359412501 0.11556906044598 0.64012332753364 32.065 > 19 76 S 0.09931359412501 0.61556906044598 0.64012332753364 32.065 > 19 77 S 0.90068640587499 0.36556906044598 0.10987667246636 32.065 > 20 78 S 0.90068640587499 0.86556906044598 0.10987667246636 32.065 > 20 79 S 0.90068640587499 0.36556906044598 0.60987667246636 32.065 > 20 80 S 0.90068640587499 0.86556906044598 0.60987667246636 32.065 > 20 *81 Ca 0.66494120633616 0.13152385200822 0.41649558431434 40.078 > 21 82 Ca 0.66494120633616 0.63152385200822 0.41649558431434 40.078 > 21 83 Ca 0.66494120633616 0.13152385200822 0.91649558431434 40.078 > 21 84 Ca 0.66494120633616 0.63152385200822 0.91649558431434 40.078 > 21 85 Ca 0.33505879366384 0.38152385200822 0.33350441568566 40.078 > 22 86 Ca 0.33505879366384 0.88152385200822 0.33350441568566 40.078 > 22 87 Ca 0.33505879366384 0.38152385200822 0.83350441568566 40.078 > 22 88 Ca 0.33505879366384 0.88152385200822 0.83350441568566 40.078 > 22 89 Ca 0.33505879366384 0.36847614799178 0.08350441568566 40.078 > 23 90 Ca 0.33505879366384 0.86847614799178 0.08350441568566 40.078 > 23 91 Ca 0.33505879366384 0.36847614799178 0.58350441568566 40.078 > 23 92 Ca 0.33505879366384 0.86847614799178 0.58350441568566 40.078 > 23 93 Ca 0.66494120633616 0.11847614799178 0.16649558431434 40.078 > 24 94 Ca 0.66494120633616 0.61847614799178 0.16649558431434 40.078 > 24 95 Ca 0.66494120633616 0.11847614799178 0.66649558431434 40.078 > 24 96 Ca 0.66494120633616 0.61847614799178 0.66649558431434 40.078 > 24 *97 Ca 0.10594911973894 0.36472692913157 0.15234022629124 40.078 > 25 98 Ca 0.10594911973894 0.86472692913157 0.15234022629124 40.078 > 25 99 Ca 0.10594911973894 0.36472692913157 0.65234022629124 40.078 > 25 100 Ca 0.10594911973894 0.86472692913157 0.65234022629124 40.078 > 25 101 Ca 0.89405088026106 0.11472692913157 0.09765977370876 40.078 > 26 102 Ca 0.89405088026106 0.61472692913157 0.09765977370876 40.078 > 26 103 Ca 0.89405088026106 0.11472692913157 0.59765977370876 40.078 > 26 104 Ca 0.89405088026106 0.61472692913157 0.59765977370876 40.078 > 26 105 Ca 0.89405088026106 0.13527307086843 0.34765977370876 40.078 > 27 106 Ca 0.89405088026106 0.63527307086843 0.34765977370876 40.078 > 27 107 Ca 0.89405088026106 0.13527307086843 0.84765977370876 40.078 > 27 108 Ca 0.89405088026106 0.63527307086843 0.84765977370876 40.078 > 27 109 Ca 0.10594911973894 0.38527307086843 0.40234022629124 40.078 > 28 110 Ca 0.10594911973894 0.88527307086843 0.40234022629124 40.078 > 28 111 Ca 0.10594911973894 0.38527307086843 0.90234022629124 40.078 > 28 112 Ca 0.10594911973894 0.88527307086843 0.90234022629124 40.078 > 28 *113 Sb 0.38121152850413 0.07927740332034 0.47115117082399 121.760 > 29 114 Sb 0.38121152850413 0.57927740332034 0.47115117082399 121.760 > 29 115 Sb 0.38121152850413 0.07927740332034 0.97115117082399 121.760 > 29 116 Sb 0.38121152850413 0.57927740332034 0.97115117082399 121.760 > 29 117 Sb 0.61878847149587 0.32927740332034 0.27884882917601 121.760 > 30 118 Sb 0.61878847149587 0.82927740332034 0.27884882917601 121.760 > 30 119 Sb 0.61878847149587 0.32927740332034 0.77884882917601 121.760 > 30 120 Sb 0.61878847149587 0.82927740332034 0.77884882917601 121.760 > 30 121 Sb 0.61878847149587 0.42072259667966 0.02884882917601 121.760 > 31 122 Sb 0.61878847149587 0.92072259667966 0.02884882917601 121.760 > 31 123 Sb 0.61878847149587 0.42072259667966 0.52884882917601 121.760 > 31 124 Sb 0.61878847149587 0.92072259667966 0.52884882917601 121.760 > 31 125 Sb 0.38121152850413 0.17072259667966 0.22115117082399 121.760 > 32 126 Sb 0.38121152850413 0.67072259667966 0.22115117082399 121.760 > 32 127 Sb 0.38121152850413 0.17072259667966 0.72115117082399 121.760 > 32 128 Sb 0.38121152850413 0.67072259667966 0.72115117082399 121.760 > 32 *129 Sb 0.12160435008372 0.11950361997862 0.28521021096105 121.760 > 33 130 Sb 0.12160435008372 0.61950361997862 0.28521021096105 121.760 > 33 131 Sb 0.12160435008372 0.11950361997862 0.78521021096105 121.760 > 33 132 Sb 0.12160435008372 0.61950361997862 0.78521021096105 121.760 > 33 133 Sb 0.87839564991628 0.36950361997862 0.46478978903895 121.760 > 34 134 Sb 0.87839564991628 0.86950361997862 0.46478978903895 121.760 > 34 135 Sb 0.87839564991628 0.36950361997862 0.96478978903895 121.760 > 34 136 Sb 0.87839564991628 0.86950361997862 0.96478978903895 121.760 > 34 137 Sb 0.87839564991628 0.38049638002138 0.21478978903895 121.760 > 35 138 Sb 0.87839564991628 0.88049638002138 0.21478978903895 121.760 > 35 139 Sb 0.87839564991628 0.38049638002138 0.71478978903895 121.760 > 35 140 Sb 0.87839564991628 0.88049638002138 0.71478978903895 121.760 > 35 141 Sb 0.12160435008372 0.13049638002138 0.03521021096105 121.760 > 36 142 Sb 0.12160435008372 0.63049638002138 0.03521021096105 121.760 > 36 143 Sb 0.12160435008372 0.13049638002138 0.53521021096105 121.760 > 36 144 Sb 0.12160435008372 0.63049638002138 0.53521021096105 121.760 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7066391 0.0000000 -1.8156907 0.0000000 11.5358589 0.0000000 -1.8156916 0.0000000 11.7372651 -------------------------- Born effective charges -------------------------- 1 S -3.3893681 -0.2111805 -0.7219662 -0.5665660 -1.5185549 0.4638679 -0.3344110 0.2849323 -2.1977576 2 S -3.3893681 0.2111805 -0.7219662 0.5665660 -1.5185549 -0.4638679 -0.3344110 -0.2849323 -2.1977576 3 S -3.3893681 -0.2111805 -0.7219662 -0.5665660 -1.5185549 0.4638679 -0.3344110 0.2849323 -2.1977576 4 S -3.3893681 0.2111805 -0.7219662 0.5665660 -1.5185549 -0.4638679 -0.3344110 -0.2849323 -2.1977576 5 S -2.1297330 0.4061668 -0.3642829 -0.0898874 -5.2289492 -0.0655056 -0.5032691 0.3799409 -1.5166835 6 S -2.1297330 -0.4061668 -0.3642829 0.0898874 -5.2289492 0.0655056 -0.5032691 -0.3799409 -1.5166835 7 S -2.1297330 0.4061668 -0.3642829 -0.0898874 -5.2289492 -0.0655056 -0.5032691 0.3799409 -1.5166835 8 S -2.1297330 -0.4061668 -0.3642829 0.0898874 -5.2289492 0.0655056 -0.5032691 -0.3799409 -1.5166835 9 S -1.8046898 0.7149241 -0.0619374 0.5008843 -1.9266800 0.1251384 -0.0036376 0.2594942 -1.8148519 10 S -1.8046898 -0.7149241 -0.0619374 -0.5008843 -1.9266800 -0.1251384 -0.0036376 -0.2594942 -1.8148519 11 S -1.8046898 0.7149241 -0.0619374 0.5008843 -1.9266800 0.1251384 -0.0036376 0.2594942 -1.8148519 12 S -1.8046898 -0.7149241 -0.0619374 -0.5008843 -1.9266800 -0.1251384 -0.0036376 -0.2594942 -1.8148519 13 S -2.6068816 0.4775363 -0.1664493 0.3500288 -0.7896700 0.0762598 -0.0753226 0.1620833 -2.3277043 14 S -2.6068816 -0.4775363 -0.1664493 -0.3500288 -0.7896700 -0.0762598 -0.0753226 -0.1620833 -2.3277043 15 S -2.6068816 0.4775363 -0.1664493 0.3500288 -0.7896700 0.0762598 -0.0753226 0.1620833 -2.3277043 16 S -2.6068816 -0.4775363 -0.1664493 -0.3500288 -0.7896700 -0.0762598 -0.0753226 -0.1620833 -2.3277043 17 S -2.9500766 -0.1379968 1.8709677 -0.1571304 -1.3976162 0.3807067 1.8664182 0.3435616 -4.7319272 18 S -2.9500766 0.1379968 1.8709677 0.1571304 -1.3976162 -0.3807067 1.8664182 -0.3435616 -4.7319272 19 S -2.9500766 -0.1379968 1.8709677 -0.1571304 -1.3976162 0.3807067 1.8664182 0.3435616 -4.7319272 20 S -2.9500766 0.1379968 1.8709677 0.1571304 -1.3976162 -0.3807067 1.8664182 -0.3435616 -4.7319272 21 Ca 2.3024211 0.2804839 -0.1778544 0.5354424 2.5243344 -0.3992600 -0.1929672 -0.4558192 2.6658471 22 Ca 2.3024211 -0.2804839 -0.1778544 -0.5354424 2.5243344 0.3992600 -0.1929672 0.4558192 2.6658471 23 Ca 2.3024211 0.2804839 -0.1778544 0.5354424 2.5243344 -0.3992600 -0.1929672 -0.4558192 2.6658471 24 Ca 2.3024211 -0.2804839 -0.1778544 -0.5354424 2.5243344 0.3992600 -0.1929672 0.4558192 2.6658471 25 Ca 2.7752807 0.0288046 0.1247079 -0.5255587 2.4673225 0.4764843 -0.1693992 -0.0790756 2.4585005 26 Ca 2.7752807 -0.0288046 0.1247079 0.5255587 2.4673225 -0.4764843 -0.1693992 0.0790756 2.4585005 27 Ca 2.7752807 0.0288046 0.1247079 -0.5255587 2.4673225 0.4764843 -0.1693992 -0.0790756 2.4585005 28 Ca 2.7752807 -0.0288046 0.1247079 0.5255587 2.4673225 -0.4764843 -0.1693992 0.0790756 2.4585005 29 Sb 3.3724639 -0.5293907 -0.3706033 -0.7861731 2.5036540 -0.0622603 -0.4750278 -0.1879718 4.3897132 30 Sb 3.3724639 0.5293907 -0.3706033 0.7861731 2.5036540 0.0622603 -0.4750278 0.1879718 4.3897132 31 Sb 3.3724639 -0.5293907 -0.3706033 -0.7861731 2.5036540 -0.0622603 -0.4750278 -0.1879718 4.3897132 32 Sb 3.3724639 0.5293907 -0.3706033 0.7861731 2.5036540 0.0622603 -0.4750278 0.1879718 4.3897132 33 Sb 4.4305835 0.4762613 -0.1325822 0.3283543 3.3661595 0.5507673 -0.1123840 0.8253832 3.0748636 34 Sb 4.4305835 -0.4762613 -0.1325822 -0.3283543 3.3661595 -0.5507673 -0.1123840 -0.8253832 3.0748636 35 Sb 4.4305835 0.4762613 -0.1325822 0.3283543 3.3661595 0.5507673 -0.1123840 0.8253832 3.0748636 36 Sb 4.4305835 -0.4762613 -0.1325822 -0.3283543 3.3661595 -0.5507673 -0.1123840 -0.8253832 3.0748636 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5860), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.995 Solver_block: 200 / 1120 - Time: 1.784 Solver_block: 300 / 1120 - Time: 1.775 Solver_block: 400 / 1120 - Time: 1.780 Solver_block: 500 / 1120 - Time: 1.781 Solver_block: 600 / 1120 - Time: 1.785 Solver_block: 700 / 1120 - Time: 1.774 Solver_block: 800 / 1120 - Time: 1.777 Solver_block: 900 / 1120 - Time: 1.778 Solver_block: 1000 / 1120 - Time: 1.780 Solver_block: 1100 / 1120 - Time: 1.780 Solver_block: 1120 / 1120 - Time: 0.518 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.812 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5860), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 08:00:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:00:12]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.874043370704818 0.000000000000000 0.000000000000000 b 0.000000000000000 5.644411690000001 0.000000000000000 c -4.124657998383433 0.000000000000000 10.464032086620854 Atomic positions (fractional): 1 S 0.29953865766594 0.26226059619279 0.65563086928195 32.065 2 S 0.70046134233406 0.76226059619279 0.84436913071805 32.065 3 S 0.70046134233406 0.73773940380721 0.34436913071805 32.065 4 S 0.29953865766594 0.23773940380721 0.15563086928195 32.065 5 S 0.88186319813386 0.29759208023080 0.93948878345328 32.065 6 S 0.11813680186614 0.79759208023080 0.56051121654672 32.065 7 S 0.11813680186614 0.70240791976920 0.06051121654672 32.065 8 S 0.88186319813386 0.20240791976920 0.43948878345328 32.065 9 S 0.69468833859693 0.26550702018809 0.59732005293891 32.065 10 S 0.30531166140307 0.76550702018809 0.90267994706109 32.065 11 S 0.30531166140307 0.73449297981191 0.40267994706109 32.065 12 S 0.69468833859693 0.23449297981191 0.09732005293892 32.065 13 S 0.50059049883940 0.00601975311755 0.84590374357603 32.065 14 S 0.49940950116060 0.50601975311755 0.65409625642397 32.065 15 S 0.49940950116060 0.99398024688245 0.15409625642397 32.065 16 S 0.50059049883940 0.49398024688245 0.34590374357603 32.065 17 S 0.90068640587499 0.76886187910804 0.71975334493271 32.065 18 S 0.09931359412501 0.26886187910804 0.78024665506729 32.065 19 S 0.09931359412501 0.23113812089196 0.28024665506729 32.065 20 S 0.90068640587499 0.73113812089196 0.21975334493271 32.065 21 Ca 0.66494120633616 0.26304770401644 0.83299116862868 40.078 22 Ca 0.33505879366384 0.76304770401644 0.66700883137132 40.078 23 Ca 0.33505879366384 0.73695229598356 0.16700883137132 40.078 24 Ca 0.66494120633616 0.23695229598356 0.33299116862868 40.078 25 Ca 0.10594911973894 0.72945385826313 0.30468045258249 40.078 26 Ca 0.89405088026106 0.22945385826313 0.19531954741751 40.078 27 Ca 0.89405088026106 0.27054614173687 0.69531954741751 40.078 28 Ca 0.10594911973894 0.77054614173687 0.80468045258249 40.078 29 Sb 0.38121152850413 0.15855480664068 0.94230234164797 121.760 30 Sb 0.61878847149587 0.65855480664068 0.55769765835203 121.760 31 Sb 0.61878847149587 0.84144519335932 0.05769765835203 121.760 32 Sb 0.38121152850413 0.34144519335932 0.44230234164797 121.760 33 Sb 0.12160435008372 0.23900723995724 0.57042042192210 121.760 34 Sb 0.87839564991628 0.73900723995724 0.92957957807790 121.760 35 Sb 0.87839564991628 0.76099276004276 0.42957957807790 121.760 36 Sb 0.12160435008372 0.26099276004276 0.07042042192210 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.874043370704818 0.000000000000000 0.000000000000000 b 0.000000000000000 11.288823380000002 0.000000000000000 c -8.249315996766866 0.000000000000000 20.928064173241708 Atomic positions (fractional): 1 S 0.29953865766594 0.13113029809640 0.32781543464098 32.065 > 1 2 S 0.29953865766594 0.63113029809640 0.32781543464098 32.065 > 1 3 S 0.29953865766594 0.13113029809640 0.82781543464098 32.065 > 1 4 S 0.29953865766594 0.63113029809640 0.82781543464098 32.065 > 1 5 S 0.70046134233406 0.38113029809640 0.42218456535902 32.065 > 5 6 S 0.70046134233406 0.88113029809640 0.42218456535902 32.065 > 5 7 S 0.70046134233406 0.38113029809640 0.92218456535902 32.065 > 5 8 S 0.70046134233406 0.88113029809640 0.92218456535902 32.065 > 5 9 S 0.70046134233406 0.36886970190360 0.17218456535902 32.065 > 9 10 S 0.70046134233406 0.86886970190360 0.17218456535902 32.065 > 9 11 S 0.70046134233406 0.36886970190360 0.67218456535902 32.065 > 9 12 S 0.70046134233406 0.86886970190360 0.67218456535902 32.065 > 9 13 S 0.29953865766594 0.11886970190360 0.07781543464098 32.065 > 13 14 S 0.29953865766594 0.61886970190360 0.07781543464098 32.065 > 13 15 S 0.29953865766594 0.11886970190360 0.57781543464098 32.065 > 13 16 S 0.29953865766594 0.61886970190360 0.57781543464098 32.065 > 13 17 S 0.88186319813386 0.14879604011540 0.46974439172664 32.065 > 17 18 S 0.88186319813386 0.64879604011540 0.46974439172664 32.065 > 17 19 S 0.88186319813386 0.14879604011540 0.96974439172664 32.065 > 17 20 S 0.88186319813386 0.64879604011540 0.96974439172664 32.065 > 17 21 S 0.11813680186614 0.39879604011540 0.28025560827336 32.065 > 21 22 S 0.11813680186614 0.89879604011540 0.28025560827336 32.065 > 21 23 S 0.11813680186614 0.39879604011540 0.78025560827336 32.065 > 21 24 S 0.11813680186614 0.89879604011540 0.78025560827336 32.065 > 21 25 S 0.11813680186614 0.35120395988460 0.03025560827336 32.065 > 25 26 S 0.11813680186614 0.85120395988460 0.03025560827336 32.065 > 25 27 S 0.11813680186614 0.35120395988460 0.53025560827336 32.065 > 25 28 S 0.11813680186614 0.85120395988460 0.53025560827336 32.065 > 25 29 S 0.88186319813386 0.10120395988460 0.21974439172664 32.065 > 29 30 S 0.88186319813386 0.60120395988460 0.21974439172664 32.065 > 29 31 S 0.88186319813386 0.10120395988460 0.71974439172664 32.065 > 29 32 S 0.88186319813386 0.60120395988460 0.71974439172664 32.065 > 29 33 S 0.69468833859693 0.13275351009405 0.29866002646946 32.065 > 33 34 S 0.69468833859693 0.63275351009405 0.29866002646946 32.065 > 33 35 S 0.69468833859693 0.13275351009405 0.79866002646946 32.065 > 33 36 S 0.69468833859693 0.63275351009405 0.79866002646946 32.065 > 33 37 S 0.30531166140307 0.38275351009405 0.45133997353054 32.065 > 37 38 S 0.30531166140307 0.88275351009405 0.45133997353054 32.065 > 37 39 S 0.30531166140307 0.38275351009405 0.95133997353054 32.065 > 37 40 S 0.30531166140307 0.88275351009405 0.95133997353054 32.065 > 37 41 S 0.30531166140307 0.36724648990595 0.20133997353054 32.065 > 41 42 S 0.30531166140307 0.86724648990595 0.20133997353054 32.065 > 41 43 S 0.30531166140307 0.36724648990595 0.70133997353054 32.065 > 41 44 S 0.30531166140307 0.86724648990595 0.70133997353054 32.065 > 41 45 S 0.69468833859693 0.11724648990595 0.04866002646946 32.065 > 45 46 S 0.69468833859693 0.61724648990595 0.04866002646946 32.065 > 45 47 S 0.69468833859693 0.11724648990595 0.54866002646946 32.065 > 45 48 S 0.69468833859693 0.61724648990595 0.54866002646946 32.065 > 45 49 S 0.50059049883940 0.00300987655878 0.42295187178801 32.065 > 49 50 S 0.50059049883940 0.50300987655878 0.42295187178801 32.065 > 49 51 S 0.50059049883940 0.00300987655878 0.92295187178801 32.065 > 49 52 S 0.50059049883940 0.50300987655878 0.92295187178801 32.065 > 49 53 S 0.49940950116060 0.25300987655878 0.32704812821199 32.065 > 53 54 S 0.49940950116060 0.75300987655878 0.32704812821199 32.065 > 53 55 S 0.49940950116060 0.25300987655878 0.82704812821199 32.065 > 53 56 S 0.49940950116060 0.75300987655878 0.82704812821199 32.065 > 53 57 S 0.49940950116060 0.49699012344122 0.07704812821199 32.065 > 57 58 S 0.49940950116060 0.99699012344122 0.07704812821199 32.065 > 57 59 S 0.49940950116060 0.49699012344122 0.57704812821199 32.065 > 57 60 S 0.49940950116060 0.99699012344122 0.57704812821199 32.065 > 57 61 S 0.50059049883940 0.24699012344122 0.17295187178801 32.065 > 61 62 S 0.50059049883940 0.74699012344122 0.17295187178801 32.065 > 61 63 S 0.50059049883940 0.24699012344122 0.67295187178801 32.065 > 61 64 S 0.50059049883940 0.74699012344122 0.67295187178801 32.065 > 61 65 S 0.90068640587499 0.38443093955402 0.35987667246636 32.065 > 65 66 S 0.90068640587499 0.88443093955402 0.35987667246636 32.065 > 65 67 S 0.90068640587499 0.38443093955402 0.85987667246636 32.065 > 65 68 S 0.90068640587499 0.88443093955402 0.85987667246636 32.065 > 65 69 S 0.09931359412501 0.13443093955402 0.39012332753364 32.065 > 69 70 S 0.09931359412501 0.63443093955402 0.39012332753364 32.065 > 69 71 S 0.09931359412501 0.13443093955402 0.89012332753364 32.065 > 69 72 S 0.09931359412501 0.63443093955402 0.89012332753364 32.065 > 69 73 S 0.09931359412501 0.11556906044598 0.14012332753364 32.065 > 73 74 S 0.09931359412501 0.61556906044598 0.14012332753364 32.065 > 73 75 S 0.09931359412501 0.11556906044598 0.64012332753364 32.065 > 73 76 S 0.09931359412501 0.61556906044598 0.64012332753364 32.065 > 73 77 S 0.90068640587499 0.36556906044598 0.10987667246636 32.065 > 77 78 S 0.90068640587499 0.86556906044598 0.10987667246636 32.065 > 77 79 S 0.90068640587499 0.36556906044598 0.60987667246636 32.065 > 77 80 S 0.90068640587499 0.86556906044598 0.60987667246636 32.065 > 77 81 Ca 0.66494120633616 0.13152385200822 0.41649558431434 40.078 > 81 82 Ca 0.66494120633616 0.63152385200822 0.41649558431434 40.078 > 81 83 Ca 0.66494120633616 0.13152385200822 0.91649558431434 40.078 > 81 84 Ca 0.66494120633616 0.63152385200822 0.91649558431434 40.078 > 81 85 Ca 0.33505879366384 0.38152385200822 0.33350441568566 40.078 > 85 86 Ca 0.33505879366384 0.88152385200822 0.33350441568566 40.078 > 85 87 Ca 0.33505879366384 0.38152385200822 0.83350441568566 40.078 > 85 88 Ca 0.33505879366384 0.88152385200822 0.83350441568566 40.078 > 85 89 Ca 0.33505879366384 0.36847614799178 0.08350441568566 40.078 > 89 90 Ca 0.33505879366384 0.86847614799178 0.08350441568566 40.078 > 89 91 Ca 0.33505879366384 0.36847614799178 0.58350441568566 40.078 > 89 92 Ca 0.33505879366384 0.86847614799178 0.58350441568566 40.078 > 89 93 Ca 0.66494120633616 0.11847614799178 0.16649558431434 40.078 > 93 94 Ca 0.66494120633616 0.61847614799178 0.16649558431434 40.078 > 93 95 Ca 0.66494120633616 0.11847614799178 0.66649558431434 40.078 > 93 96 Ca 0.66494120633616 0.61847614799178 0.66649558431434 40.078 > 93 97 Ca 0.10594911973894 0.36472692913157 0.15234022629124 40.078 > 97 98 Ca 0.10594911973894 0.86472692913157 0.15234022629124 40.078 > 97 99 Ca 0.10594911973894 0.36472692913157 0.65234022629124 40.078 > 97 100 Ca 0.10594911973894 0.86472692913157 0.65234022629124 40.078 > 97 101 Ca 0.89405088026106 0.11472692913157 0.09765977370876 40.078 > 101 102 Ca 0.89405088026106 0.61472692913157 0.09765977370876 40.078 > 101 103 Ca 0.89405088026106 0.11472692913157 0.59765977370876 40.078 > 101 104 Ca 0.89405088026106 0.61472692913157 0.59765977370876 40.078 > 101 105 Ca 0.89405088026106 0.13527307086843 0.34765977370876 40.078 > 105 106 Ca 0.89405088026106 0.63527307086843 0.34765977370876 40.078 > 105 107 Ca 0.89405088026106 0.13527307086843 0.84765977370876 40.078 > 105 108 Ca 0.89405088026106 0.63527307086843 0.84765977370876 40.078 > 105 109 Ca 0.10594911973894 0.38527307086843 0.40234022629124 40.078 > 109 110 Ca 0.10594911973894 0.88527307086843 0.40234022629124 40.078 > 109 111 Ca 0.10594911973894 0.38527307086843 0.90234022629124 40.078 > 109 112 Ca 0.10594911973894 0.88527307086843 0.90234022629124 40.078 > 109 113 Sb 0.38121152850413 0.07927740332034 0.47115117082399 121.760 > 113 114 Sb 0.38121152850413 0.57927740332034 0.47115117082399 121.760 > 113 115 Sb 0.38121152850413 0.07927740332034 0.97115117082399 121.760 > 113 116 Sb 0.38121152850413 0.57927740332034 0.97115117082399 121.760 > 113 117 Sb 0.61878847149587 0.32927740332034 0.27884882917601 121.760 > 117 118 Sb 0.61878847149587 0.82927740332034 0.27884882917601 121.760 > 117 119 Sb 0.61878847149587 0.32927740332034 0.77884882917601 121.760 > 117 120 Sb 0.61878847149587 0.82927740332034 0.77884882917601 121.760 > 117 121 Sb 0.61878847149587 0.42072259667966 0.02884882917601 121.760 > 121 122 Sb 0.61878847149587 0.92072259667966 0.02884882917601 121.760 > 121 123 Sb 0.61878847149587 0.42072259667966 0.52884882917601 121.760 > 121 124 Sb 0.61878847149587 0.92072259667966 0.52884882917601 121.760 > 121 125 Sb 0.38121152850413 0.17072259667966 0.22115117082399 121.760 > 125 126 Sb 0.38121152850413 0.67072259667966 0.22115117082399 121.760 > 125 127 Sb 0.38121152850413 0.17072259667966 0.72115117082399 121.760 > 125 128 Sb 0.38121152850413 0.67072259667966 0.72115117082399 121.760 > 125 129 Sb 0.12160435008372 0.11950361997862 0.28521021096105 121.760 > 129 130 Sb 0.12160435008372 0.61950361997862 0.28521021096105 121.760 > 129 131 Sb 0.12160435008372 0.11950361997862 0.78521021096105 121.760 > 129 132 Sb 0.12160435008372 0.61950361997862 0.78521021096105 121.760 > 129 133 Sb 0.87839564991628 0.36950361997862 0.46478978903895 121.760 > 133 134 Sb 0.87839564991628 0.86950361997862 0.46478978903895 121.760 > 133 135 Sb 0.87839564991628 0.36950361997862 0.96478978903895 121.760 > 133 136 Sb 0.87839564991628 0.86950361997862 0.96478978903895 121.760 > 133 137 Sb 0.87839564991628 0.38049638002138 0.21478978903895 121.760 > 137 138 Sb 0.87839564991628 0.88049638002138 0.21478978903895 121.760 > 137 139 Sb 0.87839564991628 0.38049638002138 0.71478978903895 121.760 > 137 140 Sb 0.87839564991628 0.88049638002138 0.71478978903895 121.760 > 137 141 Sb 0.12160435008372 0.13049638002138 0.03521021096105 121.760 > 141 142 Sb 0.12160435008372 0.63049638002138 0.03521021096105 121.760 > 141 143 Sb 0.12160435008372 0.13049638002138 0.53521021096105 121.760 > 141 144 Sb 0.12160435008372 0.63049638002138 0.53521021096105 121.760 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7066391 0.0000000 -1.8156907 0.0000000 11.5358589 0.0000000 -1.8156916 0.0000000 11.7372651 -------------------------- Born effective charges -------------------------- 1 S -3.3893681 -0.2111805 -0.7219662 -0.5665660 -1.5185549 0.4638679 -0.3344110 0.2849323 -2.1977576 2 S -3.3893681 0.2111805 -0.7219662 0.5665660 -1.5185549 -0.4638679 -0.3344110 -0.2849323 -2.1977576 3 S -3.3893681 -0.2111805 -0.7219662 -0.5665660 -1.5185549 0.4638679 -0.3344110 0.2849323 -2.1977576 4 S -3.3893681 0.2111805 -0.7219662 0.5665660 -1.5185549 -0.4638679 -0.3344110 -0.2849323 -2.1977576 5 S -2.1297330 0.4061668 -0.3642829 -0.0898874 -5.2289492 -0.0655056 -0.5032691 0.3799409 -1.5166835 6 S -2.1297330 -0.4061668 -0.3642829 0.0898874 -5.2289492 0.0655056 -0.5032691 -0.3799409 -1.5166835 7 S -2.1297330 0.4061668 -0.3642829 -0.0898874 -5.2289492 -0.0655056 -0.5032691 0.3799409 -1.5166835 8 S -2.1297330 -0.4061668 -0.3642829 0.0898874 -5.2289492 0.0655056 -0.5032691 -0.3799409 -1.5166835 9 S -1.8046898 0.7149241 -0.0619374 0.5008843 -1.9266800 0.1251384 -0.0036376 0.2594942 -1.8148519 10 S -1.8046898 -0.7149241 -0.0619374 -0.5008843 -1.9266800 -0.1251384 -0.0036376 -0.2594942 -1.8148519 11 S -1.8046898 0.7149241 -0.0619374 0.5008843 -1.9266800 0.1251384 -0.0036376 0.2594942 -1.8148519 12 S -1.8046898 -0.7149241 -0.0619374 -0.5008843 -1.9266800 -0.1251384 -0.0036376 -0.2594942 -1.8148519 13 S -2.6068816 0.4775363 -0.1664493 0.3500288 -0.7896700 0.0762598 -0.0753226 0.1620833 -2.3277043 14 S -2.6068816 -0.4775363 -0.1664493 -0.3500288 -0.7896700 -0.0762598 -0.0753226 -0.1620833 -2.3277043 15 S -2.6068816 0.4775363 -0.1664493 0.3500288 -0.7896700 0.0762598 -0.0753226 0.1620833 -2.3277043 16 S -2.6068816 -0.4775363 -0.1664493 -0.3500288 -0.7896700 -0.0762598 -0.0753226 -0.1620833 -2.3277043 17 S -2.9500766 -0.1379968 1.8709677 -0.1571304 -1.3976162 0.3807067 1.8664182 0.3435616 -4.7319272 18 S -2.9500766 0.1379968 1.8709677 0.1571304 -1.3976162 -0.3807067 1.8664182 -0.3435616 -4.7319272 19 S -2.9500766 -0.1379968 1.8709677 -0.1571304 -1.3976162 0.3807067 1.8664182 0.3435616 -4.7319272 20 S -2.9500766 0.1379968 1.8709677 0.1571304 -1.3976162 -0.3807067 1.8664182 -0.3435616 -4.7319272 21 Ca 2.3024211 0.2804839 -0.1778544 0.5354424 2.5243344 -0.3992600 -0.1929672 -0.4558192 2.6658471 22 Ca 2.3024211 -0.2804839 -0.1778544 -0.5354424 2.5243344 0.3992600 -0.1929672 0.4558192 2.6658471 23 Ca 2.3024211 0.2804839 -0.1778544 0.5354424 2.5243344 -0.3992600 -0.1929672 -0.4558192 2.6658471 24 Ca 2.3024211 -0.2804839 -0.1778544 -0.5354424 2.5243344 0.3992600 -0.1929672 0.4558192 2.6658471 25 Ca 2.7752807 0.0288046 0.1247079 -0.5255587 2.4673225 0.4764843 -0.1693992 -0.0790756 2.4585005 26 Ca 2.7752807 -0.0288046 0.1247079 0.5255587 2.4673225 -0.4764843 -0.1693992 0.0790756 2.4585005 27 Ca 2.7752807 0.0288046 0.1247079 -0.5255587 2.4673225 0.4764843 -0.1693992 -0.0790756 2.4585005 28 Ca 2.7752807 -0.0288046 0.1247079 0.5255587 2.4673225 -0.4764843 -0.1693992 0.0790756 2.4585005 29 Sb 3.3724639 -0.5293907 -0.3706033 -0.7861731 2.5036540 -0.0622603 -0.4750278 -0.1879718 4.3897132 30 Sb 3.3724639 0.5293907 -0.3706033 0.7861731 2.5036540 0.0622603 -0.4750278 0.1879718 4.3897132 31 Sb 3.3724639 -0.5293907 -0.3706033 -0.7861731 2.5036540 -0.0622603 -0.4750278 -0.1879718 4.3897132 32 Sb 3.3724639 0.5293907 -0.3706033 0.7861731 2.5036540 0.0622603 -0.4750278 0.1879718 4.3897132 33 Sb 4.4305835 0.4762613 -0.1325822 0.3283543 3.3661595 0.5507673 -0.1123840 0.8253832 3.0748636 34 Sb 4.4305835 -0.4762613 -0.1325822 -0.3283543 3.3661595 -0.5507673 -0.1123840 -0.8253832 3.0748636 35 Sb 4.4305835 0.4762613 -0.1325822 0.3283543 3.3661595 0.5507673 -0.1123840 0.8253832 3.0748636 36 Sb 4.4305835 -0.4762613 -0.1325822 -0.3283543 3.3661595 -0.5507673 -0.1123840 -0.8253832 3.0748636 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 113, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 129, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:01:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:01:14]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.874043370704818 0.000000000000000 0.000000000000000 b 0.000000000000000 5.644411690000001 0.000000000000000 c -4.124657998383433 0.000000000000000 10.464032086620854 Atomic positions (fractional): 1 S 0.29953865766594 0.26226059619279 0.65563086928195 32.065 2 S 0.70046134233406 0.76226059619279 0.84436913071805 32.065 3 S 0.70046134233406 0.73773940380721 0.34436913071805 32.065 4 S 0.29953865766594 0.23773940380721 0.15563086928195 32.065 5 S 0.88186319813386 0.29759208023080 0.93948878345328 32.065 6 S 0.11813680186614 0.79759208023080 0.56051121654672 32.065 7 S 0.11813680186614 0.70240791976920 0.06051121654672 32.065 8 S 0.88186319813386 0.20240791976920 0.43948878345328 32.065 9 S 0.69468833859693 0.26550702018809 0.59732005293891 32.065 10 S 0.30531166140307 0.76550702018809 0.90267994706109 32.065 11 S 0.30531166140307 0.73449297981191 0.40267994706109 32.065 12 S 0.69468833859693 0.23449297981191 0.09732005293892 32.065 13 S 0.50059049883940 0.00601975311755 0.84590374357603 32.065 14 S 0.49940950116060 0.50601975311755 0.65409625642397 32.065 15 S 0.49940950116060 0.99398024688245 0.15409625642397 32.065 16 S 0.50059049883940 0.49398024688245 0.34590374357603 32.065 17 S 0.90068640587499 0.76886187910804 0.71975334493271 32.065 18 S 0.09931359412501 0.26886187910804 0.78024665506729 32.065 19 S 0.09931359412501 0.23113812089196 0.28024665506729 32.065 20 S 0.90068640587499 0.73113812089196 0.21975334493271 32.065 21 Ca 0.66494120633616 0.26304770401644 0.83299116862868 40.078 22 Ca 0.33505879366384 0.76304770401644 0.66700883137132 40.078 23 Ca 0.33505879366384 0.73695229598356 0.16700883137132 40.078 24 Ca 0.66494120633616 0.23695229598356 0.33299116862868 40.078 25 Ca 0.10594911973894 0.72945385826313 0.30468045258249 40.078 26 Ca 0.89405088026106 0.22945385826313 0.19531954741751 40.078 27 Ca 0.89405088026106 0.27054614173687 0.69531954741751 40.078 28 Ca 0.10594911973894 0.77054614173687 0.80468045258249 40.078 29 Sb 0.38121152850413 0.15855480664068 0.94230234164797 121.760 30 Sb 0.61878847149587 0.65855480664068 0.55769765835203 121.760 31 Sb 0.61878847149587 0.84144519335932 0.05769765835203 121.760 32 Sb 0.38121152850413 0.34144519335932 0.44230234164797 121.760 33 Sb 0.12160435008372 0.23900723995724 0.57042042192210 121.760 34 Sb 0.87839564991628 0.73900723995724 0.92957957807790 121.760 35 Sb 0.87839564991628 0.76099276004276 0.42957957807790 121.760 36 Sb 0.12160435008372 0.26099276004276 0.07042042192210 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.874043370704818 0.000000000000000 0.000000000000000 b 0.000000000000000 11.288823380000002 0.000000000000000 c -8.249315996766866 0.000000000000000 20.928064173241708 Atomic positions (fractional): 1 S 0.29953865766594 0.13113029809640 0.32781543464098 32.065 > 1 2 S 0.29953865766594 0.63113029809640 0.32781543464098 32.065 > 1 3 S 0.29953865766594 0.13113029809640 0.82781543464098 32.065 > 1 4 S 0.29953865766594 0.63113029809640 0.82781543464098 32.065 > 1 5 S 0.70046134233406 0.38113029809640 0.42218456535902 32.065 > 5 6 S 0.70046134233406 0.88113029809640 0.42218456535902 32.065 > 5 7 S 0.70046134233406 0.38113029809640 0.92218456535902 32.065 > 5 8 S 0.70046134233406 0.88113029809640 0.92218456535902 32.065 > 5 9 S 0.70046134233406 0.36886970190360 0.17218456535902 32.065 > 9 10 S 0.70046134233406 0.86886970190360 0.17218456535902 32.065 > 9 11 S 0.70046134233406 0.36886970190360 0.67218456535902 32.065 > 9 12 S 0.70046134233406 0.86886970190360 0.67218456535902 32.065 > 9 13 S 0.29953865766594 0.11886970190360 0.07781543464098 32.065 > 13 14 S 0.29953865766594 0.61886970190360 0.07781543464098 32.065 > 13 15 S 0.29953865766594 0.11886970190360 0.57781543464098 32.065 > 13 16 S 0.29953865766594 0.61886970190360 0.57781543464098 32.065 > 13 17 S 0.88186319813386 0.14879604011540 0.46974439172664 32.065 > 17 18 S 0.88186319813386 0.64879604011540 0.46974439172664 32.065 > 17 19 S 0.88186319813386 0.14879604011540 0.96974439172664 32.065 > 17 20 S 0.88186319813386 0.64879604011540 0.96974439172664 32.065 > 17 21 S 0.11813680186614 0.39879604011540 0.28025560827336 32.065 > 21 22 S 0.11813680186614 0.89879604011540 0.28025560827336 32.065 > 21 23 S 0.11813680186614 0.39879604011540 0.78025560827336 32.065 > 21 24 S 0.11813680186614 0.89879604011540 0.78025560827336 32.065 > 21 25 S 0.11813680186614 0.35120395988460 0.03025560827336 32.065 > 25 26 S 0.11813680186614 0.85120395988460 0.03025560827336 32.065 > 25 27 S 0.11813680186614 0.35120395988460 0.53025560827336 32.065 > 25 28 S 0.11813680186614 0.85120395988460 0.53025560827336 32.065 > 25 29 S 0.88186319813386 0.10120395988460 0.21974439172664 32.065 > 29 30 S 0.88186319813386 0.60120395988460 0.21974439172664 32.065 > 29 31 S 0.88186319813386 0.10120395988460 0.71974439172664 32.065 > 29 32 S 0.88186319813386 0.60120395988460 0.71974439172664 32.065 > 29 33 S 0.69468833859693 0.13275351009405 0.29866002646946 32.065 > 33 34 S 0.69468833859693 0.63275351009405 0.29866002646946 32.065 > 33 35 S 0.69468833859693 0.13275351009405 0.79866002646946 32.065 > 33 36 S 0.69468833859693 0.63275351009405 0.79866002646946 32.065 > 33 37 S 0.30531166140307 0.38275351009405 0.45133997353054 32.065 > 37 38 S 0.30531166140307 0.88275351009405 0.45133997353054 32.065 > 37 39 S 0.30531166140307 0.38275351009405 0.95133997353054 32.065 > 37 40 S 0.30531166140307 0.88275351009405 0.95133997353054 32.065 > 37 41 S 0.30531166140307 0.36724648990595 0.20133997353054 32.065 > 41 42 S 0.30531166140307 0.86724648990595 0.20133997353054 32.065 > 41 43 S 0.30531166140307 0.36724648990595 0.70133997353054 32.065 > 41 44 S 0.30531166140307 0.86724648990595 0.70133997353054 32.065 > 41 45 S 0.69468833859693 0.11724648990595 0.04866002646946 32.065 > 45 46 S 0.69468833859693 0.61724648990595 0.04866002646946 32.065 > 45 47 S 0.69468833859693 0.11724648990595 0.54866002646946 32.065 > 45 48 S 0.69468833859693 0.61724648990595 0.54866002646946 32.065 > 45 49 S 0.50059049883940 0.00300987655878 0.42295187178801 32.065 > 49 50 S 0.50059049883940 0.50300987655878 0.42295187178801 32.065 > 49 51 S 0.50059049883940 0.00300987655878 0.92295187178801 32.065 > 49 52 S 0.50059049883940 0.50300987655878 0.92295187178801 32.065 > 49 53 S 0.49940950116060 0.25300987655878 0.32704812821199 32.065 > 53 54 S 0.49940950116060 0.75300987655878 0.32704812821199 32.065 > 53 55 S 0.49940950116060 0.25300987655878 0.82704812821199 32.065 > 53 56 S 0.49940950116060 0.75300987655878 0.82704812821199 32.065 > 53 57 S 0.49940950116060 0.49699012344122 0.07704812821199 32.065 > 57 58 S 0.49940950116060 0.99699012344122 0.07704812821199 32.065 > 57 59 S 0.49940950116060 0.49699012344122 0.57704812821199 32.065 > 57 60 S 0.49940950116060 0.99699012344122 0.57704812821199 32.065 > 57 61 S 0.50059049883940 0.24699012344122 0.17295187178801 32.065 > 61 62 S 0.50059049883940 0.74699012344122 0.17295187178801 32.065 > 61 63 S 0.50059049883940 0.24699012344122 0.67295187178801 32.065 > 61 64 S 0.50059049883940 0.74699012344122 0.67295187178801 32.065 > 61 65 S 0.90068640587499 0.38443093955402 0.35987667246636 32.065 > 65 66 S 0.90068640587499 0.88443093955402 0.35987667246636 32.065 > 65 67 S 0.90068640587499 0.38443093955402 0.85987667246636 32.065 > 65 68 S 0.90068640587499 0.88443093955402 0.85987667246636 32.065 > 65 69 S 0.09931359412501 0.13443093955402 0.39012332753364 32.065 > 69 70 S 0.09931359412501 0.63443093955402 0.39012332753364 32.065 > 69 71 S 0.09931359412501 0.13443093955402 0.89012332753364 32.065 > 69 72 S 0.09931359412501 0.63443093955402 0.89012332753364 32.065 > 69 73 S 0.09931359412501 0.11556906044598 0.14012332753364 32.065 > 73 74 S 0.09931359412501 0.61556906044598 0.14012332753364 32.065 > 73 75 S 0.09931359412501 0.11556906044598 0.64012332753364 32.065 > 73 76 S 0.09931359412501 0.61556906044598 0.64012332753364 32.065 > 73 77 S 0.90068640587499 0.36556906044598 0.10987667246636 32.065 > 77 78 S 0.90068640587499 0.86556906044598 0.10987667246636 32.065 > 77 79 S 0.90068640587499 0.36556906044598 0.60987667246636 32.065 > 77 80 S 0.90068640587499 0.86556906044598 0.60987667246636 32.065 > 77 81 Ca 0.66494120633616 0.13152385200822 0.41649558431434 40.078 > 81 82 Ca 0.66494120633616 0.63152385200822 0.41649558431434 40.078 > 81 83 Ca 0.66494120633616 0.13152385200822 0.91649558431434 40.078 > 81 84 Ca 0.66494120633616 0.63152385200822 0.91649558431434 40.078 > 81 85 Ca 0.33505879366384 0.38152385200822 0.33350441568566 40.078 > 85 86 Ca 0.33505879366384 0.88152385200822 0.33350441568566 40.078 > 85 87 Ca 0.33505879366384 0.38152385200822 0.83350441568566 40.078 > 85 88 Ca 0.33505879366384 0.88152385200822 0.83350441568566 40.078 > 85 89 Ca 0.33505879366384 0.36847614799178 0.08350441568566 40.078 > 89 90 Ca 0.33505879366384 0.86847614799178 0.08350441568566 40.078 > 89 91 Ca 0.33505879366384 0.36847614799178 0.58350441568566 40.078 > 89 92 Ca 0.33505879366384 0.86847614799178 0.58350441568566 40.078 > 89 93 Ca 0.66494120633616 0.11847614799178 0.16649558431434 40.078 > 93 94 Ca 0.66494120633616 0.61847614799178 0.16649558431434 40.078 > 93 95 Ca 0.66494120633616 0.11847614799178 0.66649558431434 40.078 > 93 96 Ca 0.66494120633616 0.61847614799178 0.66649558431434 40.078 > 93 97 Ca 0.10594911973894 0.36472692913157 0.15234022629124 40.078 > 97 98 Ca 0.10594911973894 0.86472692913157 0.15234022629124 40.078 > 97 99 Ca 0.10594911973894 0.36472692913157 0.65234022629124 40.078 > 97 100 Ca 0.10594911973894 0.86472692913157 0.65234022629124 40.078 > 97 101 Ca 0.89405088026106 0.11472692913157 0.09765977370876 40.078 > 101 102 Ca 0.89405088026106 0.61472692913157 0.09765977370876 40.078 > 101 103 Ca 0.89405088026106 0.11472692913157 0.59765977370876 40.078 > 101 104 Ca 0.89405088026106 0.61472692913157 0.59765977370876 40.078 > 101 105 Ca 0.89405088026106 0.13527307086843 0.34765977370876 40.078 > 105 106 Ca 0.89405088026106 0.63527307086843 0.34765977370876 40.078 > 105 107 Ca 0.89405088026106 0.13527307086843 0.84765977370876 40.078 > 105 108 Ca 0.89405088026106 0.63527307086843 0.84765977370876 40.078 > 105 109 Ca 0.10594911973894 0.38527307086843 0.40234022629124 40.078 > 109 110 Ca 0.10594911973894 0.88527307086843 0.40234022629124 40.078 > 109 111 Ca 0.10594911973894 0.38527307086843 0.90234022629124 40.078 > 109 112 Ca 0.10594911973894 0.88527307086843 0.90234022629124 40.078 > 109 113 Sb 0.38121152850413 0.07927740332034 0.47115117082399 121.760 > 113 114 Sb 0.38121152850413 0.57927740332034 0.47115117082399 121.760 > 113 115 Sb 0.38121152850413 0.07927740332034 0.97115117082399 121.760 > 113 116 Sb 0.38121152850413 0.57927740332034 0.97115117082399 121.760 > 113 117 Sb 0.61878847149587 0.32927740332034 0.27884882917601 121.760 > 117 118 Sb 0.61878847149587 0.82927740332034 0.27884882917601 121.760 > 117 119 Sb 0.61878847149587 0.32927740332034 0.77884882917601 121.760 > 117 120 Sb 0.61878847149587 0.82927740332034 0.77884882917601 121.760 > 117 121 Sb 0.61878847149587 0.42072259667966 0.02884882917601 121.760 > 121 122 Sb 0.61878847149587 0.92072259667966 0.02884882917601 121.760 > 121 123 Sb 0.61878847149587 0.42072259667966 0.52884882917601 121.760 > 121 124 Sb 0.61878847149587 0.92072259667966 0.52884882917601 121.760 > 121 125 Sb 0.38121152850413 0.17072259667966 0.22115117082399 121.760 > 125 126 Sb 0.38121152850413 0.67072259667966 0.22115117082399 121.760 > 125 127 Sb 0.38121152850413 0.17072259667966 0.72115117082399 121.760 > 125 128 Sb 0.38121152850413 0.67072259667966 0.72115117082399 121.760 > 125 129 Sb 0.12160435008372 0.11950361997862 0.28521021096105 121.760 > 129 130 Sb 0.12160435008372 0.61950361997862 0.28521021096105 121.760 > 129 131 Sb 0.12160435008372 0.11950361997862 0.78521021096105 121.760 > 129 132 Sb 0.12160435008372 0.61950361997862 0.78521021096105 121.760 > 129 133 Sb 0.87839564991628 0.36950361997862 0.46478978903895 121.760 > 133 134 Sb 0.87839564991628 0.86950361997862 0.46478978903895 121.760 > 133 135 Sb 0.87839564991628 0.36950361997862 0.96478978903895 121.760 > 133 136 Sb 0.87839564991628 0.86950361997862 0.96478978903895 121.760 > 133 137 Sb 0.87839564991628 0.38049638002138 0.21478978903895 121.760 > 137 138 Sb 0.87839564991628 0.88049638002138 0.21478978903895 121.760 > 137 139 Sb 0.87839564991628 0.38049638002138 0.71478978903895 121.760 > 137 140 Sb 0.87839564991628 0.88049638002138 0.71478978903895 121.760 > 137 141 Sb 0.12160435008372 0.13049638002138 0.03521021096105 121.760 > 141 142 Sb 0.12160435008372 0.63049638002138 0.03521021096105 121.760 > 141 143 Sb 0.12160435008372 0.13049638002138 0.53521021096105 121.760 > 141 144 Sb 0.12160435008372 0.63049638002138 0.53521021096105 121.760 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.7066391 0.0000000 -1.8156907 0.0000000 11.5358589 0.0000000 -1.8156916 0.0000000 11.7372651 -------------------------- Born effective charges -------------------------- 1 S -3.3893681 -0.2111805 -0.7219662 -0.5665660 -1.5185549 0.4638679 -0.3344110 0.2849323 -2.1977576 2 S -3.3893681 0.2111805 -0.7219662 0.5665660 -1.5185549 -0.4638679 -0.3344110 -0.2849323 -2.1977576 3 S -3.3893681 -0.2111805 -0.7219662 -0.5665660 -1.5185549 0.4638679 -0.3344110 0.2849323 -2.1977576 4 S -3.3893681 0.2111805 -0.7219662 0.5665660 -1.5185549 -0.4638679 -0.3344110 -0.2849323 -2.1977576 5 S -2.1297330 0.4061668 -0.3642829 -0.0898874 -5.2289492 -0.0655056 -0.5032691 0.3799409 -1.5166835 6 S -2.1297330 -0.4061668 -0.3642829 0.0898874 -5.2289492 0.0655056 -0.5032691 -0.3799409 -1.5166835 7 S -2.1297330 0.4061668 -0.3642829 -0.0898874 -5.2289492 -0.0655056 -0.5032691 0.3799409 -1.5166835 8 S -2.1297330 -0.4061668 -0.3642829 0.0898874 -5.2289492 0.0655056 -0.5032691 -0.3799409 -1.5166835 9 S -1.8046898 0.7149241 -0.0619374 0.5008843 -1.9266800 0.1251384 -0.0036376 0.2594942 -1.8148519 10 S -1.8046898 -0.7149241 -0.0619374 -0.5008843 -1.9266800 -0.1251384 -0.0036376 -0.2594942 -1.8148519 11 S -1.8046898 0.7149241 -0.0619374 0.5008843 -1.9266800 0.1251384 -0.0036376 0.2594942 -1.8148519 12 S -1.8046898 -0.7149241 -0.0619374 -0.5008843 -1.9266800 -0.1251384 -0.0036376 -0.2594942 -1.8148519 13 S -2.6068816 0.4775363 -0.1664493 0.3500288 -0.7896700 0.0762598 -0.0753226 0.1620833 -2.3277043 14 S -2.6068816 -0.4775363 -0.1664493 -0.3500288 -0.7896700 -0.0762598 -0.0753226 -0.1620833 -2.3277043 15 S -2.6068816 0.4775363 -0.1664493 0.3500288 -0.7896700 0.0762598 -0.0753226 0.1620833 -2.3277043 16 S -2.6068816 -0.4775363 -0.1664493 -0.3500288 -0.7896700 -0.0762598 -0.0753226 -0.1620833 -2.3277043 17 S -2.9500766 -0.1379968 1.8709677 -0.1571304 -1.3976162 0.3807067 1.8664182 0.3435616 -4.7319272 18 S -2.9500766 0.1379968 1.8709677 0.1571304 -1.3976162 -0.3807067 1.8664182 -0.3435616 -4.7319272 19 S -2.9500766 -0.1379968 1.8709677 -0.1571304 -1.3976162 0.3807067 1.8664182 0.3435616 -4.7319272 20 S -2.9500766 0.1379968 1.8709677 0.1571304 -1.3976162 -0.3807067 1.8664182 -0.3435616 -4.7319272 21 Ca 2.3024211 0.2804839 -0.1778544 0.5354424 2.5243344 -0.3992600 -0.1929672 -0.4558192 2.6658471 22 Ca 2.3024211 -0.2804839 -0.1778544 -0.5354424 2.5243344 0.3992600 -0.1929672 0.4558192 2.6658471 23 Ca 2.3024211 0.2804839 -0.1778544 0.5354424 2.5243344 -0.3992600 -0.1929672 -0.4558192 2.6658471 24 Ca 2.3024211 -0.2804839 -0.1778544 -0.5354424 2.5243344 0.3992600 -0.1929672 0.4558192 2.6658471 25 Ca 2.7752807 0.0288046 0.1247079 -0.5255587 2.4673225 0.4764843 -0.1693992 -0.0790756 2.4585005 26 Ca 2.7752807 -0.0288046 0.1247079 0.5255587 2.4673225 -0.4764843 -0.1693992 0.0790756 2.4585005 27 Ca 2.7752807 0.0288046 0.1247079 -0.5255587 2.4673225 0.4764843 -0.1693992 -0.0790756 2.4585005 28 Ca 2.7752807 -0.0288046 0.1247079 0.5255587 2.4673225 -0.4764843 -0.1693992 0.0790756 2.4585005 29 Sb 3.3724639 -0.5293907 -0.3706033 -0.7861731 2.5036540 -0.0622603 -0.4750278 -0.1879718 4.3897132 30 Sb 3.3724639 0.5293907 -0.3706033 0.7861731 2.5036540 0.0622603 -0.4750278 0.1879718 4.3897132 31 Sb 3.3724639 -0.5293907 -0.3706033 -0.7861731 2.5036540 -0.0622603 -0.4750278 -0.1879718 4.3897132 32 Sb 3.3724639 0.5293907 -0.3706033 0.7861731 2.5036540 0.0622603 -0.4750278 0.1879718 4.3897132 33 Sb 4.4305835 0.4762613 -0.1325822 0.3283543 3.3661595 0.5507673 -0.1123840 0.8253832 3.0748636 34 Sb 4.4305835 -0.4762613 -0.1325822 -0.3283543 3.3661595 -0.5507673 -0.1123840 -0.8253832 3.0748636 35 Sb 4.4305835 0.4762613 -0.1325822 0.3283543 3.3661595 0.5507673 -0.1123840 0.8253832 3.0748636 36 Sb 4.4305835 -0.4762613 -0.1325822 -0.3283543 3.3661595 -0.5507673 -0.1123840 -0.8253832 3.0748636 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 4 9 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: 0.43, Number of G-points: 301, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/55) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.109 ( 0.000 0.000 0.000) 0.000 1.194 ( 0.000 0.000 0.000) 0.000 1.209 ( 0.000 0.000 0.000) 0.000 1.399 ( 0.000 0.000 0.000) 0.000 1.411 ( 0.000 0.000 0.000) 0.000 1.522 ( 0.000 0.000 0.000) 0.000 1.644 ( 0.000 0.000 0.000) 0.000 1.726 ( 0.000 0.000 0.000) 0.000 1.756 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 2.040 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.349 ( 0.000 0.000 0.000) 0.000 3.402 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.678 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 4.975 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.211 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.491 ( 0.000 0.000 0.000) 0.000 5.505 ( 0.000 0.000 0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 6.094 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 6.734 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 6.846 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 6.978 ( 0.000 0.000 0.000) 0.000 6.991 ( 0.000 0.000 0.000) 0.000 7.064 ( 0.000 0.000 0.000) 0.000 7.071 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.201 ( 0.000 0.000 0.000) 0.000 7.244 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 7.389 ( 0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 7.419 ( 0.000 0.000 0.000) 0.000 7.514 ( 0.000 0.000 0.000) 0.000 7.573 ( 0.000 0.000 0.000) 0.000 7.664 ( 0.000 0.000 0.000) 0.000 7.685 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 7.788 ( 0.000 0.000 0.000) 0.000 8.123 ( 0.000 0.000 0.000) 0.000 8.179 ( 0.000 0.000 0.000) 0.000 8.404 ( 0.000 0.000 0.000) 0.000 8.448 ( 0.000 0.000 0.000) 0.000 8.536 ( 0.000 0.000 0.000) 0.000 8.620 ( 0.000 0.000 0.000) 0.000 8.759 ( 0.000 0.000 0.000) 0.000 8.760 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 0.000 0.000) 0.000 9.386 ( 0.000 0.000 0.000) 0.000 9.524 ( 0.000 0.000 0.000) 0.000 9.613 ( 0.000 0.000 0.000) 0.000 9.615 ( 0.000 0.000 0.000) 0.000 9.707 ( 0.000 0.000 0.000) 0.000 9.788 ( 0.000 0.000 0.000) 0.000 10.050 ( 0.000 0.000 0.000) 0.000 10.089 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/55) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 17.749 0.000 3.458) 18.083 0.393 ( 19.492 0.000 9.394) 21.638 0.775 ( 38.851 0.000 9.951) 40.105 0.932 ( -13.625 0.000 -3.285) 14.015 1.171 ( -12.602 0.000 -9.101) 15.545 1.197 ( -1.037 0.000 -1.603) 1.909 1.235 ( -0.039 0.000 -1.076) 1.076 1.426 ( -4.955 0.000 5.664) 7.526 1.644 ( 11.223 0.000 1.161) 11.282 1.682 ( 3.368 0.000 0.262) 3.379 1.740 ( -0.712 0.000 -2.684) 2.776 1.771 ( 0.584 0.000 4.550) 4.587 1.859 ( -9.327 0.000 0.872) 9.367 1.918 ( -1.802 0.000 -0.041) 1.802 2.006 ( 8.195 0.000 0.464) 8.208 2.020 ( -1.524 0.000 -2.271) 2.735 2.058 ( -2.393 0.000 0.988) 2.589 2.217 ( -4.202 0.000 -4.036) 5.826 2.240 ( 0.331 0.000 0.779) 0.846 2.407 ( -15.350 0.000 -1.879) 15.464 2.444 ( 5.340 0.000 -3.682) 6.487 2.539 ( -5.515 0.000 3.505) 6.535 2.546 ( 3.490 0.000 1.167) 3.680 2.729 ( -11.117 0.000 1.900) 11.278 2.743 ( -3.388 0.000 0.245) 3.396 2.863 ( -14.193 0.000 -8.969) 16.790 2.918 ( 1.221 0.000 -0.877) 1.503 2.943 ( 1.320 0.000 0.376) 1.373 3.099 ( 5.240 0.000 -1.116) 5.357 3.112 ( 1.513 0.000 -1.314) 2.004 3.257 ( -1.024 0.000 -3.027) 3.196 3.377 ( -0.672 0.000 2.568) 2.654 3.396 ( -5.302 0.000 3.588) 6.402 3.465 ( 9.551 0.000 -2.839) 9.964 3.465 ( 8.465 0.000 3.781) 9.271 3.509 ( 0.259 0.000 -5.497) 5.503 3.521 ( -1.117 0.000 4.014) 4.167 3.785 ( 1.588 0.000 -0.148) 1.595 3.808 ( 5.320 0.000 4.069) 6.698 3.985 ( -0.375 0.000 0.852) 0.931 4.030 ( 8.774 0.000 0.405) 8.784 4.033 ( 16.574 0.000 3.874) 17.021 4.174 ( -10.554 0.000 4.788) 11.589 4.206 ( 0.261 0.000 -6.135) 6.141 4.337 ( 2.768 0.000 1.275) 3.047 4.351 ( 2.820 0.000 1.933) 3.419 4.444 ( -10.595 0.000 7.465) 12.961 4.523 ( -1.371 0.000 -7.369) 7.495 4.586 ( 2.757 0.000 -1.738) 3.259 4.651 ( -10.634 0.000 -4.754) 11.648 4.858 ( 1.963 0.000 0.802) 2.121 4.911 ( -9.422 0.000 -4.177) 10.307 5.014 ( -1.468 0.000 6.528) 6.691 5.200 ( -1.005 0.000 2.516) 2.710 5.379 ( -4.682 0.000 -2.761) 5.435 5.476 ( -3.624 0.000 -1.070) 3.778 5.478 ( 3.430 0.000 -0.374) 3.450 5.631 ( -4.058 0.000 1.126) 4.211 5.734 ( 10.348 0.000 4.652) 11.345 5.767 ( 2.931 0.000 -0.223) 2.940 5.833 ( -2.000 0.000 2.242) 3.005 6.051 ( 7.913 0.000 -0.599) 7.936 6.196 ( 7.503 0.000 1.211) 7.601 6.379 ( -13.609 0.000 -2.660) 13.867 6.750 ( 2.938 0.000 -2.453) 3.828 6.811 ( 0.631 0.000 -0.031) 0.632 6.825 ( -1.914 0.000 2.599) 3.228 6.856 ( -1.280 0.000 2.184) 2.531 6.919 ( 1.045 0.000 1.734) 2.025 6.990 ( 0.340 0.000 -0.999) 1.055 7.005 ( 2.147 0.000 0.441) 2.192 7.021 ( 2.014 0.000 -6.735) 7.030 7.082 ( 1.760 0.000 -5.296) 5.581 7.100 ( 2.538 0.000 0.897) 2.692 7.112 ( -3.004 0.000 4.342) 5.280 7.128 ( 3.160 0.000 -2.640) 4.117 7.130 ( 3.966 0.000 -10.147) 10.895 7.256 ( 0.015 0.000 0.041) 0.044 7.275 ( -1.258 0.000 0.999) 1.607 7.295 ( -1.549 0.000 1.301) 2.023 7.350 ( -4.990 0.000 1.891) 5.336 7.366 ( 0.716 0.000 2.449) 2.552 7.377 ( -0.588 0.000 -2.140) 2.219 7.428 ( 0.964 0.000 1.912) 2.141 7.510 ( -0.406 0.000 1.121) 1.192 7.616 ( -0.873 0.000 -7.125) 7.178 7.628 ( 6.314 0.000 -1.666) 6.531 7.668 ( -0.640 0.000 2.732) 2.806 7.674 ( -0.686 0.000 0.687) 0.971 7.789 ( 0.105 0.000 0.881) 0.887 8.028 ( -9.931 0.000 0.057) 9.932 8.099 ( 1.516 0.000 -7.867) 8.012 8.232 ( 6.065 0.000 -5.680) 8.309 8.395 ( -1.056 0.000 0.786) 1.317 8.454 ( 3.938 0.000 -4.842) 6.242 8.535 ( -1.275 0.000 1.990) 2.364 8.707 ( 4.807 0.000 5.267) 7.131 8.772 ( 0.869 0.000 0.757) 1.152 9.028 ( -1.770 0.000 -0.534) 1.849 9.351 ( -2.011 0.000 -0.260) 2.028 9.503 ( -1.191 0.000 -1.844) 2.195 9.622 ( 0.273 0.000 0.917) 0.957 9.631 ( 1.177 0.000 0.522) 1.288 9.721 ( 1.280 0.000 0.714) 1.466 9.742 ( 0.609 0.000 -2.409) 2.485 9.778 ( -0.851 0.000 -0.680) 1.089 10.105 ( 1.020 0.000 1.498) 1.812 10.209 ( -0.523 0.000 -1.628) 1.710 ======================= Grid point 2 (3/55) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -0.000 0.000 -0.000) 0.000 0.702 ( 0.000 0.000 0.000) 0.000 0.707 ( 0.000 0.000 0.000) 0.000 0.895 ( -0.000 0.000 0.000) 0.000 1.188 ( 0.000 0.000 -0.000) 0.000 1.220 ( 0.000 0.000 0.000) 0.000 1.255 ( 0.000 0.000 0.000) 0.000 1.475 ( 0.000 0.000 0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.731 ( 0.000 0.000 0.000) 0.000 1.750 ( -0.000 0.000 -0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.806 ( -0.000 0.000 -0.000) 0.000 1.881 ( 0.000 0.000 0.000) 0.000 1.994 ( 0.000 0.000 0.000) 0.000 2.046 ( 0.000 0.000 -0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 -0.000) 0.000 2.233 ( -0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.629 ( -0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.231 ( -0.000 0.000 0.000) 0.000 3.298 ( 0.000 0.000 -0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.514 ( 0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.593 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 -0.000) 0.000 4.006 ( -0.000 0.000 -0.000) 0.000 4.224 ( -0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.351 ( -0.000 0.000 -0.000) 0.000 4.410 ( 0.000 0.000 0.000) 0.000 4.423 ( 0.000 0.000 -0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 4.594 ( -0.000 0.000 -0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.426 ( 0.000 0.000 0.000) 0.000 5.504 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 0.000) 0.000 5.799 ( -0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 -0.000) 0.000 5.923 ( 0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.170 ( 0.000 0.000 0.000) 0.000 6.271 ( 0.000 0.000 0.000) 0.000 6.791 ( -0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 -0.000) 0.000 6.818 ( 0.000 0.000 -0.000) 0.000 6.851 ( 0.000 0.000 0.000) 0.000 6.945 ( 0.000 0.000 -0.000) 0.000 6.990 ( -0.000 0.000 0.000) 0.000 7.014 ( 0.000 0.000 -0.000) 0.000 7.023 ( 0.000 0.000 0.000) 0.000 7.078 ( -0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 -0.000) 0.000 7.120 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 -0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 7.236 ( -0.000 0.000 0.000) 0.000 7.247 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.312 ( 0.000 0.000 0.000) 0.000 7.361 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 0.000) 0.000 7.463 ( 0.000 0.000 0.000) 0.000 7.508 ( 0.000 0.000 0.000) 0.000 7.573 ( 0.000 0.000 -0.000) 0.000 7.651 ( 0.000 0.000 0.000) 0.000 7.673 ( -0.000 0.000 0.000) 0.000 7.741 ( 0.000 0.000 -0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 8.086 ( 0.000 0.000 0.000) 0.000 8.268 ( 0.000 0.000 0.000) 0.000 8.387 ( 0.000 0.000 0.000) 0.000 8.491 ( -0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 -0.000) 0.000 8.774 ( 0.000 0.000 -0.000) 0.000 8.784 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.329 ( 0.000 0.000 0.000) 0.000 9.482 ( 0.000 0.000 -0.000) 0.000 9.628 ( 0.000 0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 9.738 ( 0.000 0.000 0.000) 0.000 9.748 ( -0.000 0.000 -0.000) 0.000 9.756 ( 0.000 0.000 0.000) 0.000 10.125 ( 0.000 0.000 0.000) 0.000 10.193 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/55) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 0.000 17.118 0.000) 17.118 0.455 ( 0.000 22.752 0.000) 22.752 0.878 ( 0.000 34.158 0.000) 34.158 1.179 ( 0.000 7.783 0.000) 7.783 1.344 ( 0.000 9.852 0.000) 9.852 1.420 ( 0.000 16.890 0.000) 16.890 1.476 ( 0.000 7.083 0.000) 7.083 1.488 ( 0.000 8.055 0.000) 8.055 1.626 ( 0.000 8.474 0.000) 8.474 1.780 ( 0.000 8.176 0.000) 8.176 1.781 ( 0.000 4.464 0.000) 4.464 1.851 ( 0.000 15.183 0.000) 15.183 1.942 ( 0.000 4.069 0.000) 4.069 2.014 ( 0.000 9.761 0.000) 9.761 2.044 ( 0.000 2.093 0.000) 2.093 2.056 ( 0.000 8.147 0.000) 8.147 2.096 ( 0.000 3.798 0.000) 3.798 2.283 ( 0.000 -0.555 0.000) 0.555 2.287 ( 0.000 5.813 0.000) 5.813 2.361 ( 0.000 -1.053 0.000) 1.053 2.572 ( 0.000 -0.342 0.000) 0.342 2.582 ( 0.000 5.342 0.000) 5.342 2.591 ( 0.000 -0.951 0.000) 0.951 2.695 ( 0.000 -4.997 0.000) 4.997 2.776 ( 0.000 -5.230 0.000) 5.230 2.890 ( 0.000 0.728 0.000) 0.728 2.999 ( 0.000 4.732 0.000) 4.732 3.014 ( 0.000 8.394 0.000) 8.394 3.104 ( 0.000 -0.071 0.000) 0.071 3.293 ( 0.000 4.788 0.000) 4.788 3.333 ( 0.000 4.624 0.000) 4.624 3.408 ( 0.000 6.072 0.000) 6.072 3.425 ( 0.000 8.078 0.000) 8.078 3.479 ( 0.000 5.242 0.000) 5.242 3.516 ( 0.000 -0.155 0.000) 0.155 3.545 ( 0.000 9.821 0.000) 9.821 3.698 ( 0.000 9.241 0.000) 9.241 3.713 ( 0.000 4.980 0.000) 4.980 3.840 ( 0.000 10.953 0.000) 10.953 3.990 ( 0.000 4.191 0.000) 4.191 4.031 ( 0.000 19.518 0.000) 19.518 4.160 ( 0.000 -1.016 0.000) 1.016 4.179 ( 0.000 17.296 0.000) 17.296 4.186 ( 0.000 0.910 0.000) 0.910 4.326 ( 0.000 4.705 0.000) 4.705 4.417 ( 0.000 2.002 0.000) 2.002 4.437 ( 0.000 -5.725 0.000) 5.725 4.445 ( 0.000 -1.830 0.000) 1.830 4.622 ( 0.000 4.061 0.000) 4.061 4.758 ( 0.000 1.085 0.000) 1.085 4.846 ( 0.000 7.804 0.000) 7.804 4.913 ( 0.000 -2.533 0.000) 2.533 5.083 ( 0.000 5.413 0.000) 5.413 5.268 ( 0.000 5.471 0.000) 5.471 5.349 ( 0.000 -4.267 0.000) 4.267 5.525 ( 0.000 0.909 0.000) 0.909 5.550 ( 0.000 3.834 0.000) 3.834 5.598 ( 0.000 -2.182 0.000) 2.182 5.693 ( 0.000 -0.750 0.000) 0.750 5.776 ( 0.000 0.476 0.000) 0.476 5.841 ( 0.000 -0.375 0.000) 0.375 5.950 ( 0.000 -0.367 0.000) 0.367 6.112 ( 0.000 1.151 0.000) 1.151 6.332 ( 0.000 -4.316 0.000) 4.316 6.631 ( 0.000 -7.998 0.000) 7.998 6.723 ( 0.000 -8.552 0.000) 8.552 6.734 ( 0.000 -6.838 0.000) 6.838 6.839 ( 0.000 -5.138 0.000) 5.138 6.903 ( 0.000 -1.094 0.000) 1.094 6.923 ( 0.000 -0.643 0.000) 0.643 7.003 ( 0.000 -1.219 0.000) 1.219 7.005 ( 0.000 -1.571 0.000) 1.571 7.028 ( 0.000 1.344 0.000) 1.344 7.047 ( 0.000 -0.793 0.000) 0.793 7.102 ( 0.000 3.277 0.000) 3.277 7.149 ( 0.000 -0.527 0.000) 0.527 7.215 ( 0.000 -1.852 0.000) 1.852 7.219 ( 0.000 2.322 0.000) 2.322 7.271 ( 0.000 -2.628 0.000) 2.628 7.296 ( 0.000 -0.582 0.000) 0.582 7.301 ( 0.000 1.587 0.000) 1.587 7.380 ( 0.000 0.742 0.000) 0.742 7.440 ( 0.000 5.201 0.000) 5.201 7.446 ( 0.000 5.120 0.000) 5.120 7.571 ( 0.000 7.048 0.000) 7.048 7.591 ( 0.000 4.586 0.000) 4.586 7.681 ( 0.000 1.829 0.000) 1.829 7.809 ( 0.000 11.379 0.000) 11.379 7.872 ( 0.000 10.228 0.000) 10.228 7.873 ( 0.000 9.155 0.000) 9.155 7.989 ( 0.000 3.026 0.000) 3.026 8.192 ( 0.000 1.349 0.000) 1.349 8.398 ( 0.000 -0.602 0.000) 0.602 8.438 ( 0.000 -0.538 0.000) 0.538 8.530 ( 0.000 -0.540 0.000) 0.540 8.625 ( 0.000 0.746 0.000) 0.746 8.739 ( 0.000 -1.771 0.000) 1.771 8.752 ( 0.000 -0.489 0.000) 0.489 8.904 ( 0.000 1.045 0.000) 1.045 9.047 ( 0.000 -1.419 0.000) 1.419 9.397 ( 0.000 1.078 0.000) 1.078 9.517 ( 0.000 -0.740 0.000) 0.740 9.604 ( 0.000 -0.891 0.000) 0.891 9.651 ( 0.000 3.401 0.000) 3.401 9.747 ( 0.000 3.958 0.000) 3.958 10.002 ( 0.000 1.607 0.000) 1.607 10.074 ( 0.000 -1.316 0.000) 1.316 10.076 ( 0.000 2.523 0.000) 2.523 ======================= Grid point 6 (5/55) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 11.655 15.921 9.219) 21.779 0.727 ( 21.055 13.514 5.478) 25.612 0.952 ( 10.857 16.063 0.649) 19.399 1.166 ( 0.534 18.166 -2.736) 18.379 1.252 ( -11.895 8.715 -3.156) 15.079 1.311 ( -3.100 10.564 -2.249) 11.237 1.370 ( -4.770 15.624 -1.690) 16.423 1.571 ( 2.375 9.580 1.129) 9.935 1.718 ( 4.329 4.839 -1.239) 6.610 1.748 ( -1.160 1.215 2.037) 2.640 1.806 ( 0.267 9.725 3.324) 10.281 1.826 ( -0.165 11.171 -2.452) 11.438 1.927 ( -3.029 9.189 2.943) 10.113 2.035 ( -2.020 3.013 1.472) 3.914 2.045 ( 0.343 9.114 -0.917) 9.166 2.085 ( 4.814 6.568 -0.823) 8.185 2.096 ( -0.098 3.929 1.172) 4.101 2.219 ( -2.736 1.333 -3.312) 4.498 2.305 ( 0.811 5.784 0.519) 5.863 2.378 ( -9.508 -4.276 -1.344) 10.512 2.411 ( -2.550 -1.357 -0.515) 2.934 2.524 ( -3.520 3.479 0.436) 4.969 2.604 ( -0.367 0.121 0.722) 0.819 2.664 ( -1.481 -1.165 -0.066) 1.886 2.732 ( -5.113 -0.486 0.168) 5.139 2.864 ( -9.363 2.084 -6.124) 11.380 2.946 ( -0.596 1.548 -1.223) 2.061 3.054 ( 1.022 8.159 -0.422) 8.233 3.116 ( 2.709 5.308 -0.565) 5.986 3.235 ( -0.429 9.836 -1.921) 10.031 3.306 ( -1.598 2.719 -1.999) 3.734 3.380 ( 1.136 2.713 2.563) 3.901 3.448 ( 0.989 2.765 4.934) 5.742 3.491 ( 6.748 4.885 -0.736) 8.363 3.538 ( -1.789 6.113 -2.781) 6.950 3.618 ( -0.587 7.964 1.451) 8.117 3.639 ( 3.970 10.168 -0.830) 10.947 3.855 ( 6.787 6.897 4.171) 10.537 3.983 ( 2.499 15.444 -0.502) 15.653 4.058 ( 4.633 4.368 0.765) 6.413 4.075 ( 6.911 3.922 2.506) 8.332 4.134 ( -2.360 -2.060 2.045) 3.741 4.169 ( 1.101 14.458 -0.403) 14.505 4.215 ( 2.587 1.330 -1.943) 3.499 4.347 ( -0.952 3.992 -0.462) 4.130 4.376 ( -5.713 -4.519 1.069) 7.363 4.411 ( 4.762 5.189 1.840) 7.279 4.457 ( 0.426 -4.890 1.801) 5.228 4.603 ( -0.563 2.758 -2.879) 4.026 4.688 ( -6.968 6.549 -3.560) 10.204 4.829 ( -3.214 -3.223 0.113) 4.553 4.919 ( 1.147 3.163 1.583) 3.718 5.029 ( -7.449 3.866 -0.920) 8.443 5.251 ( -1.654 5.690 1.100) 6.026 5.339 ( -1.128 -3.664 -1.002) 3.963 5.477 ( -1.391 1.567 -1.293) 2.463 5.521 ( -2.638 3.165 -0.790) 4.195 5.638 ( -3.923 -0.079 0.684) 3.983 5.683 ( 7.806 -2.754 1.832) 8.478 5.798 ( 3.044 1.223 1.362) 3.552 5.838 ( -1.083 0.563 2.308) 2.611 6.050 ( 8.146 -0.231 -1.423) 8.273 6.200 ( 7.279 0.349 1.277) 7.398 6.290 ( -6.059 -4.871 -3.165) 8.394 6.644 ( 2.303 -8.116 -1.991) 8.668 6.711 ( -2.757 -7.859 3.771) 9.143 6.752 ( 2.178 -7.930 -1.318) 8.328 6.838 ( -0.848 -5.508 1.300) 5.722 6.893 ( 0.223 -2.913 -0.439) 2.954 6.924 ( 1.129 -4.061 -3.188) 5.285 6.982 ( -0.897 0.429 -0.793) 1.272 7.026 ( -0.980 -1.960 0.770) 2.322 7.031 ( 1.604 -0.558 1.235) 2.100 7.065 ( 0.604 0.032 0.914) 1.096 7.098 ( 0.050 -0.019 -1.131) 1.132 7.131 ( 0.745 1.339 -6.334) 6.516 7.196 ( 0.676 1.393 -2.171) 2.667 7.226 ( 1.058 -1.427 -0.921) 2.001 7.263 ( -1.469 -1.001 3.255) 3.709 7.283 ( -0.643 -0.412 -0.271) 0.810 7.368 ( 2.839 1.027 -2.124) 3.692 7.402 ( -3.705 3.965 2.745) 6.081 7.449 ( 1.752 3.940 0.110) 4.314 7.486 ( 3.904 2.355 6.809) 8.194 7.572 ( 0.739 6.619 -0.965) 6.730 7.601 ( 2.380 5.425 -1.885) 6.217 7.686 ( -0.081 1.995 1.459) 2.474 7.786 ( -0.720 9.239 -0.005) 9.267 7.842 ( -1.577 12.107 -0.505) 12.219 7.886 ( 0.608 9.958 0.562) 9.992 7.998 ( -1.228 2.702 1.046) 3.147 8.195 ( -1.584 1.906 0.333) 2.501 8.373 ( -7.418 4.909 -4.882) 10.147 8.403 ( -4.274 3.914 -7.039) 9.118 8.455 ( 2.891 0.180 -2.374) 3.746 8.528 ( -1.149 -0.519 1.459) 1.928 8.701 ( 4.256 -0.351 4.519) 6.218 8.763 ( 1.066 -0.764 0.989) 1.643 9.017 ( -1.298 -0.963 -0.421) 1.670 9.301 ( 15.547 -14.926 6.171) 22.419 9.379 ( -1.732 1.655 -0.871) 2.549 9.507 ( 0.245 -0.161 -1.063) 1.102 9.601 ( -0.486 -1.797 1.035) 2.130 9.648 ( -0.318 1.462 -0.821) 1.706 9.762 ( 1.095 3.682 0.495) 3.873 9.986 ( -1.520 5.793 -0.577) 6.016 10.050 ( -0.077 -3.347 0.940) 3.478 10.114 ( 0.917 -0.688 0.668) 1.327 ======================= Grid point 7 (6/55) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.000 11.076 0.000) 11.076 0.861 ( -0.000 17.254 0.000) 17.254 0.988 ( -0.000 8.807 -0.000) 8.807 1.111 ( 0.000 22.821 0.000) 22.821 1.246 ( -0.000 5.542 0.000) 5.542 1.308 ( 0.000 8.752 0.000) 8.752 1.367 ( 0.000 13.241 0.000) 13.241 1.556 ( -0.000 0.324 0.000) 0.324 1.632 ( 0.000 10.967 -0.000) 10.967 1.823 ( 0.000 8.427 -0.000) 8.427 1.827 ( -0.000 12.023 0.000) 12.023 1.877 ( 0.000 5.378 0.000) 5.378 1.894 ( 0.000 7.872 0.000) 7.872 2.016 ( 0.000 3.525 0.000) 3.525 2.024 ( -0.000 11.456 -0.000) 11.456 2.080 ( 0.000 2.828 0.000) 2.828 2.139 ( -0.000 5.176 0.000) 5.176 2.177 ( 0.000 5.615 -0.000) 5.615 2.221 ( -0.000 -2.447 0.000) 2.447 2.296 ( 0.000 3.947 -0.000) 3.947 2.451 ( 0.000 -4.543 -0.000) 4.543 2.524 ( 0.000 3.311 0.000) 3.311 2.596 ( -0.000 -4.479 0.000) 4.479 2.610 ( 0.000 3.204 0.000) 3.204 2.681 ( 0.000 1.862 0.000) 1.862 2.708 ( 0.000 6.848 -0.000) 6.848 2.937 ( 0.000 -0.820 -0.000) 0.820 3.058 ( -0.000 16.861 0.000) 16.861 3.156 ( 0.000 1.253 -0.000) 1.253 3.274 ( -0.000 5.356 -0.000) 5.356 3.280 ( 0.000 2.848 0.000) 2.848 3.382 ( 0.000 5.560 -0.000) 5.560 3.455 ( 0.000 8.579 -0.000) 8.579 3.511 ( 0.000 -0.092 0.000) 0.092 3.615 ( -0.000 10.064 -0.000) 10.064 3.640 ( 0.000 3.618 0.000) 3.618 3.653 ( -0.000 7.106 -0.000) 7.106 3.932 ( 0.000 10.090 0.000) 10.090 3.983 ( -0.000 -0.440 0.000) 0.440 4.004 ( 0.000 2.859 0.000) 2.859 4.045 ( -0.000 12.080 -0.000) 12.080 4.199 ( 0.000 12.886 -0.000) 12.886 4.250 ( 0.000 -1.635 -0.000) 1.635 4.266 ( -0.000 2.749 0.000) 2.749 4.359 ( 0.000 0.974 0.000) 0.974 4.382 ( 0.000 -2.932 0.000) 2.932 4.427 ( -0.000 3.619 -0.000) 3.619 4.494 ( 0.000 1.366 0.000) 1.366 4.585 ( -0.000 1.931 0.000) 1.931 4.610 ( -0.000 1.721 -0.000) 1.721 4.707 ( 0.000 7.418 0.000) 7.418 4.936 ( -0.000 5.450 0.000) 5.450 4.945 ( 0.000 -5.362 -0.000) 5.362 5.239 ( 0.000 5.481 -0.000) 5.481 5.336 ( 0.000 -2.318 0.000) 2.318 5.474 ( 0.000 3.993 0.000) 3.993 5.476 ( -0.000 0.482 -0.000) 0.482 5.610 ( 0.000 0.137 0.000) 0.137 5.763 ( -0.000 -3.049 0.000) 3.049 5.818 ( 0.000 0.285 0.000) 0.285 5.901 ( 0.000 -1.119 0.000) 1.119 6.120 ( 0.000 -0.467 0.000) 0.467 6.170 ( 0.000 0.106 -0.000) 0.106 6.277 ( 0.000 0.328 0.000) 0.328 6.671 ( 0.000 -8.993 -0.000) 8.993 6.687 ( -0.000 -7.140 0.000) 7.140 6.777 ( 0.000 -9.582 -0.000) 9.582 6.826 ( 0.000 -3.670 -0.000) 3.670 6.910 ( -0.000 -7.663 -0.000) 7.663 6.916 ( 0.000 -5.047 0.000) 5.047 6.972 ( 0.000 1.587 0.000) 1.587 7.011 ( 0.000 -2.160 0.000) 2.160 7.058 ( 0.000 -0.941 0.000) 0.941 7.066 ( 0.000 1.339 0.000) 1.339 7.092 ( 0.000 -2.059 -0.000) 2.059 7.115 ( 0.000 1.399 0.000) 1.399 7.202 ( 0.000 -0.998 -0.000) 0.998 7.237 ( 0.000 1.426 -0.000) 1.426 7.264 ( -0.000 -0.112 -0.000) 0.112 7.268 ( 0.000 -0.908 0.000) 0.908 7.366 ( -0.000 4.692 0.000) 4.692 7.382 ( 0.000 1.747 -0.000) 1.747 7.467 ( 0.000 6.768 -0.000) 6.768 7.530 ( 0.000 -1.645 0.000) 1.645 7.596 ( 0.000 6.365 -0.000) 6.365 7.612 ( 0.000 8.156 -0.000) 8.156 7.689 ( -0.000 2.117 0.000) 2.117 7.825 ( 0.000 12.582 -0.000) 12.582 7.834 ( -0.000 8.608 0.000) 8.608 7.909 ( 0.000 2.914 0.000) 2.914 7.931 ( -0.000 12.114 -0.000) 12.114 8.135 ( 0.000 4.451 0.000) 4.451 8.296 ( 0.000 3.635 -0.000) 3.635 8.383 ( 0.000 -0.433 0.000) 0.433 8.488 ( 0.000 -0.549 0.000) 0.549 8.515 ( 0.000 -0.321 0.000) 0.321 8.766 ( -0.000 -0.624 -0.000) 0.624 8.773 ( 0.000 -1.102 -0.000) 1.102 9.003 ( 0.000 -0.268 0.000) 0.268 9.353 ( 0.000 1.599 -0.000) 1.599 9.432 ( -0.000 -10.524 0.000) 10.524 9.526 ( 0.000 0.453 -0.000) 0.453 9.598 ( 0.000 -4.330 0.000) 4.330 9.638 ( 0.000 -0.450 0.000) 0.450 9.775 ( 0.000 3.082 0.000) 3.082 9.968 ( 0.000 7.526 0.000) 7.526 10.060 ( -0.000 -6.289 0.000) 6.289 10.120 ( 0.000 -0.260 0.000) 0.260 ======================= Grid point 10 (7/55) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 0.000 18.941 0.000) 18.941 0.886 ( 0.000 20.680 0.000) 20.680 1.095 ( 0.000 1.377 0.000) 1.377 1.504 ( 0.000 7.850 0.000) 7.850 1.606 ( 0.000 17.368 0.000) 17.368 1.621 ( 0.000 8.318 0.000) 8.318 1.653 ( 0.000 12.889 0.000) 12.889 1.766 ( 0.000 5.719 0.000) 5.719 1.794 ( 0.000 5.580 0.000) 5.580 1.831 ( 0.000 10.833 0.000) 10.833 2.005 ( 0.000 14.979 0.000) 14.979 2.036 ( 0.000 2.989 0.000) 2.989 2.139 ( 0.000 3.819 0.000) 3.819 2.156 ( 0.000 7.615 0.000) 7.615 2.169 ( 0.000 8.387 0.000) 8.387 2.226 ( 0.000 12.567 0.000) 12.567 2.261 ( 0.000 9.012 0.000) 9.012 2.297 ( 0.000 3.833 0.000) 3.833 2.363 ( 0.000 1.287 0.000) 1.287 2.460 ( 0.000 9.250 0.000) 9.250 2.578 ( 0.000 1.471 0.000) 1.471 2.612 ( 0.000 0.599 0.000) 0.599 2.658 ( 0.000 7.046 0.000) 7.046 2.678 ( 0.000 3.773 0.000) 3.773 2.754 ( 0.000 3.309 0.000) 3.309 2.895 ( 0.000 -0.545 0.000) 0.545 3.067 ( 0.000 1.692 0.000) 1.692 3.073 ( 0.000 -1.344 0.000) 1.344 3.194 ( 0.000 8.949 0.000) 8.949 3.362 ( 0.000 0.743 0.000) 0.743 3.475 ( 0.000 7.172 0.000) 7.172 3.481 ( 0.000 2.869 0.000) 2.869 3.534 ( 0.000 2.959 0.000) 2.959 3.642 ( 0.000 11.763 0.000) 11.763 3.644 ( 0.000 8.382 0.000) 8.382 3.852 ( 0.000 18.896 0.000) 18.896 3.882 ( 0.000 10.600 0.000) 10.600 3.920 ( 0.000 13.979 0.000) 13.979 4.012 ( 0.000 5.615 0.000) 5.615 4.130 ( 0.000 -1.326 0.000) 1.326 4.157 ( 0.000 -4.170 0.000) 4.170 4.232 ( 0.000 20.401 0.000) 20.401 4.346 ( 0.000 -1.356 0.000) 1.356 4.366 ( 0.000 3.830 0.000) 3.830 4.394 ( 0.000 -1.332 0.000) 1.332 4.496 ( 0.000 13.050 0.000) 13.050 4.515 ( 0.000 22.332 0.000) 22.332 4.717 ( 0.000 24.496 0.000) 24.496 4.736 ( 0.000 10.123 0.000) 10.123 4.743 ( 0.000 -3.400 0.000) 3.400 4.967 ( 0.000 9.231 0.000) 9.231 5.059 ( 0.000 13.031 0.000) 13.031 5.195 ( 0.000 5.783 0.000) 5.783 5.283 ( 0.000 -2.098 0.000) 2.098 5.414 ( 0.000 9.130 0.000) 9.130 5.508 ( 0.000 -1.911 0.000) 1.911 5.613 ( 0.000 2.205 0.000) 2.205 5.617 ( 0.000 4.036 0.000) 4.036 5.686 ( 0.000 0.334 0.000) 0.334 5.799 ( 0.000 1.950 0.000) 1.950 5.840 ( 0.000 0.633 0.000) 0.633 5.948 ( 0.000 0.237 0.000) 0.237 6.150 ( 0.000 2.703 0.000) 2.703 6.276 ( 0.000 -0.701 0.000) 0.701 6.449 ( 0.000 -10.288 0.000) 10.288 6.538 ( 0.000 -9.281 0.000) 9.281 6.565 ( 0.000 -10.144 0.000) 10.144 6.675 ( 0.000 -9.731 0.000) 9.731 6.803 ( 0.000 -6.903 0.000) 6.903 6.893 ( 0.000 -4.289 0.000) 4.289 6.955 ( 0.000 -1.930 0.000) 1.930 7.010 ( 0.000 -0.977 0.000) 0.977 7.036 ( 0.000 0.854 0.000) 0.854 7.066 ( 0.000 0.759 0.000) 0.759 7.147 ( 0.000 -0.418 0.000) 0.418 7.150 ( 0.000 -0.229 0.000) 0.229 7.188 ( 0.000 0.636 0.000) 0.636 7.210 ( 0.000 -1.706 0.000) 1.706 7.270 ( 0.000 2.047 0.000) 2.047 7.272 ( 0.000 -1.297 0.000) 1.297 7.313 ( 0.000 -0.710 0.000) 0.710 7.403 ( 0.000 1.541 0.000) 1.541 7.513 ( 0.000 1.915 0.000) 1.915 7.533 ( 0.000 3.152 0.000) 3.152 7.636 ( 0.000 0.275 0.000) 0.275 7.701 ( 0.000 5.145 0.000) 5.145 7.729 ( 0.000 2.883 0.000) 2.883 7.992 ( 0.000 2.040 0.000) 2.040 8.048 ( 0.000 11.222 0.000) 11.222 8.181 ( 0.000 17.625 0.000) 17.625 8.183 ( 0.000 10.699 0.000) 10.699 8.245 ( 0.000 7.384 0.000) 7.384 8.380 ( 0.000 -1.118 0.000) 1.118 8.429 ( 0.000 0.687 0.000) 0.687 8.522 ( 0.000 -0.129 0.000) 0.129 8.659 ( 0.000 2.833 0.000) 2.833 8.701 ( 0.000 -1.768 0.000) 1.768 8.773 ( 0.000 3.931 0.000) 3.931 8.927 ( 0.000 1.166 0.000) 1.166 9.009 ( 0.000 -2.342 0.000) 2.342 9.423 ( 0.000 1.471 0.000) 1.471 9.498 ( 0.000 -1.076 0.000) 1.076 9.589 ( 0.000 -0.254 0.000) 0.254 9.731 ( 0.000 4.076 0.000) 4.076 9.850 ( 0.000 6.070 0.000) 6.070 10.035 ( 0.000 -0.082 0.000) 0.082 10.067 ( 0.000 2.645 0.000) 2.645 10.139 ( 0.000 3.546 0.000) 3.546 ======================= Grid point 11 (8/55) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 13.527 14.107 8.514) 21.319 0.982 ( 11.804 14.979 2.585) 19.245 1.092 ( 1.911 3.111 -2.258) 4.293 1.405 ( -11.454 10.401 -4.029) 15.988 1.508 ( -2.830 8.904 0.317) 9.348 1.575 ( -6.331 10.885 -3.070) 12.961 1.718 ( 2.496 8.800 -2.756) 9.553 1.775 ( -1.368 8.817 1.031) 8.982 1.806 ( 0.728 15.581 3.728) 16.038 1.821 ( 2.323 6.771 -1.570) 7.328 1.995 ( 3.703 7.909 0.146) 8.734 2.077 ( -1.309 10.488 -1.667) 10.700 2.101 ( -0.927 7.108 1.539) 7.332 2.127 ( -2.483 0.735 1.239) 2.870 2.185 ( -2.860 0.872 -1.727) 3.453 2.211 ( 1.432 9.890 2.886) 10.402 2.273 ( 1.652 12.541 -0.386) 12.655 2.316 ( -0.101 6.071 -1.098) 6.170 2.340 ( -2.949 4.630 -0.218) 5.493 2.412 ( -6.717 7.331 -1.700) 10.088 2.506 ( -1.233 5.855 -1.124) 6.088 2.557 ( -1.302 4.565 1.916) 5.120 2.673 ( -0.667 5.899 1.205) 6.057 2.701 ( -0.284 5.135 1.307) 5.306 2.748 ( -0.437 2.948 1.230) 3.223 2.924 ( -2.120 2.843 -4.102) 5.423 3.001 ( -4.548 3.518 -3.793) 6.888 3.080 ( 4.052 -0.743 -0.923) 4.222 3.273 ( 6.150 5.968 -0.569) 8.589 3.346 ( 0.173 2.888 2.196) 3.632 3.429 ( 1.504 1.526 -0.131) 2.146 3.498 ( -0.493 4.791 -0.081) 4.817 3.569 ( -2.441 12.204 1.260) 12.510 3.632 ( 5.415 10.270 -0.206) 11.612 3.697 ( 3.951 6.350 3.048) 8.076 3.813 ( -5.228 15.224 -3.891) 16.561 3.874 ( 0.143 14.809 -0.766) 14.830 4.019 ( 6.590 2.235 4.030) 8.042 4.059 ( -4.385 1.652 -2.133) 5.149 4.135 ( -0.608 2.779 -0.393) 2.872 4.153 ( -1.531 -2.292 0.774) 2.863 4.238 ( 2.101 13.712 1.044) 13.911 4.281 ( 0.763 4.611 -0.100) 4.674 4.316 ( 0.129 -0.274 -0.150) 0.338 4.385 ( -0.659 -0.886 1.520) 1.879 4.501 ( 0.942 21.352 0.401) 21.377 4.572 ( 4.715 8.847 1.094) 10.084 4.681 ( -3.571 10.317 -2.119) 11.121 4.718 ( -0.219 24.873 -0.397) 24.877 4.775 ( -4.913 1.262 1.258) 5.226 4.921 ( 1.966 14.731 -2.263) 15.033 5.053 ( -3.921 8.473 -0.986) 9.389 5.122 ( -6.174 5.976 -0.653) 8.618 5.295 ( 0.500 0.066 0.187) 0.538 5.407 ( -0.791 9.937 1.030) 10.021 5.518 ( -0.854 2.170 -0.241) 2.344 5.595 ( -1.328 3.944 -0.169) 4.165 5.632 ( 2.183 -1.252 -0.599) 2.587 5.645 ( 0.429 0.533 1.603) 1.743 5.830 ( 1.307 2.382 1.659) 3.183 5.863 ( 0.737 2.254 1.729) 2.935 6.045 ( 8.833 -0.212 -1.913) 9.040 6.203 ( 3.340 0.094 0.667) 3.407 6.249 ( -1.174 0.967 -1.284) 1.991 6.456 ( 1.194 -10.777 -1.129) 10.902 6.536 ( -1.479 -9.424 2.713) 9.917 6.559 ( -0.034 -11.028 -1.663) 11.153 6.678 ( 0.578 -9.128 -0.150) 9.148 6.804 ( -0.071 -6.768 0.372) 6.778 6.851 ( -3.667 -2.478 -0.750) 4.489 6.941 ( 0.067 -4.339 -0.708) 4.397 6.999 ( -2.977 -1.559 0.995) 3.505 7.052 ( 0.636 0.251 -0.640) 0.936 7.067 ( 2.142 0.721 -0.539) 2.324 7.111 ( -1.776 0.427 -0.442) 1.879 7.155 ( 1.729 -0.021 -4.291) 4.627 7.168 ( 0.064 -1.231 -2.759) 3.022 7.233 ( 0.214 -0.867 0.291) 0.940 7.242 ( -0.901 0.578 2.483) 2.704 7.275 ( 0.258 -0.306 -0.879) 0.966 7.394 ( 4.099 1.116 -1.648) 4.557 7.444 ( 1.842 0.312 6.371) 6.639 7.496 ( -2.998 2.447 -0.938) 3.982 7.548 ( 0.768 2.032 3.184) 3.855 7.655 ( 4.075 1.059 -0.237) 4.217 7.699 ( -0.308 4.024 0.381) 4.054 7.745 ( 1.646 3.901 0.077) 4.235 7.928 ( -4.116 3.682 -0.093) 5.524 8.065 ( -0.816 8.451 0.239) 8.494 8.154 ( -0.939 14.247 -1.311) 14.338 8.200 ( 0.618 11.221 0.827) 11.269 8.250 ( -0.396 9.565 -0.113) 9.574 8.375 ( -0.709 -0.808 0.394) 1.145 8.446 ( 1.972 0.505 -0.569) 2.114 8.516 ( -0.619 0.390 -1.007) 1.245 8.555 ( -7.799 7.154 -3.938) 11.292 8.708 ( 1.369 1.762 2.148) 3.097 8.752 ( 1.515 0.077 1.564) 2.179 8.996 ( 0.001 -1.106 -0.167) 1.118 9.127 ( 11.154 -4.668 3.741) 12.657 9.410 ( -1.753 0.949 -0.575) 2.074 9.489 ( -0.223 -1.650 -0.682) 1.799 9.584 ( -0.353 0.572 1.260) 1.428 9.692 ( -3.027 2.996 -2.515) 4.946 9.861 ( 0.578 5.868 0.259) 5.903 10.039 ( 0.058 0.999 1.035) 1.440 10.061 ( -0.540 2.687 -0.106) 2.743 10.140 ( 0.174 3.192 -0.161) 3.201 ======================= Grid point 12 (9/55) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.000 4.713 -0.000) 4.713 1.077 ( -0.000 13.930 0.000) 13.930 1.216 ( -0.000 13.751 -0.000) 13.751 1.301 ( 0.000 3.852 0.000) 3.852 1.377 ( -0.000 5.930 -0.000) 5.930 1.487 ( 0.000 8.822 0.000) 8.822 1.709 ( -0.000 13.597 0.000) 13.597 1.783 ( 0.000 15.883 -0.000) 15.883 1.798 ( 0.000 9.260 0.000) 9.260 1.936 ( 0.000 2.182 0.000) 2.182 1.975 ( -0.000 4.269 -0.000) 4.269 2.046 ( -0.000 11.430 0.000) 11.430 2.107 ( 0.000 8.535 -0.000) 8.535 2.138 ( 0.000 -0.551 -0.000) 0.551 2.159 ( -0.000 5.409 0.000) 5.409 2.212 ( 0.000 8.722 0.000) 8.722 2.280 ( -0.000 -0.036 0.000) 0.036 2.284 ( 0.000 8.236 -0.000) 8.236 2.297 ( 0.000 15.791 0.000) 15.791 2.374 ( -0.000 12.087 0.000) 12.087 2.502 ( 0.000 0.031 -0.000) 0.031 2.572 ( -0.000 10.782 -0.000) 10.782 2.657 ( -0.000 6.608 -0.000) 6.608 2.674 ( 0.000 2.552 0.000) 2.552 2.768 ( 0.000 6.440 0.000) 6.440 2.842 ( 0.000 8.319 -0.000) 8.319 2.936 ( -0.000 0.993 -0.000) 0.993 3.144 ( 0.000 -0.661 -0.000) 0.661 3.320 ( -0.000 2.254 -0.000) 2.254 3.389 ( 0.000 5.223 0.000) 5.223 3.458 ( 0.000 2.544 0.000) 2.544 3.476 ( -0.000 9.161 -0.000) 9.161 3.585 ( 0.000 16.238 0.000) 16.238 3.697 ( 0.000 2.090 -0.000) 2.090 3.734 ( 0.000 15.915 0.000) 15.915 3.758 ( 0.000 2.392 0.000) 2.392 3.865 ( 0.000 16.358 -0.000) 16.358 3.945 ( -0.000 -2.671 0.000) 2.671 4.042 ( 0.000 3.725 -0.000) 3.725 4.094 ( 0.000 -5.991 0.000) 5.991 4.167 ( -0.000 10.565 -0.000) 10.565 4.258 ( 0.000 -0.349 -0.000) 0.349 4.302 ( -0.000 4.284 0.000) 4.284 4.399 ( 0.000 5.197 0.000) 5.197 4.440 ( 0.000 0.066 -0.000) 0.066 4.541 ( 0.000 18.116 -0.000) 18.116 4.576 ( -0.000 6.955 -0.000) 6.955 4.653 ( -0.000 9.508 -0.000) 9.508 4.685 ( 0.000 8.543 0.000) 8.543 4.714 ( 0.000 25.725 0.000) 25.725 4.927 ( 0.000 4.476 -0.000) 4.476 4.953 ( 0.000 15.304 0.000) 15.304 5.093 ( 0.000 10.076 0.000) 10.076 5.297 ( 0.000 -0.835 0.000) 0.835 5.405 ( 0.000 10.869 0.000) 10.869 5.522 ( 0.000 2.962 0.000) 2.962 5.570 ( 0.000 5.686 0.000) 5.686 5.618 ( -0.000 1.314 0.000) 1.314 5.702 ( 0.000 -2.924 0.000) 2.924 5.834 ( 0.000 1.390 0.000) 1.390 5.907 ( -0.000 2.135 0.000) 2.135 6.114 ( 0.000 -0.052 0.000) 0.052 6.184 ( 0.000 1.736 -0.000) 1.736 6.283 ( 0.000 0.458 0.000) 0.458 6.465 ( 0.000 -11.599 0.000) 11.599 6.529 ( 0.000 -8.626 -0.000) 8.626 6.551 ( 0.000 -12.754 0.000) 12.754 6.686 ( -0.000 -8.810 -0.000) 8.810 6.806 ( -0.000 -6.243 0.000) 6.243 6.809 ( 0.000 -2.450 -0.000) 2.450 6.949 ( -0.000 -4.550 0.000) 4.550 6.960 ( 0.000 -3.569 -0.000) 3.569 7.064 ( 0.000 0.639 0.000) 0.639 7.084 ( 0.000 0.417 -0.000) 0.417 7.094 ( 0.000 1.943 -0.000) 1.943 7.142 ( 0.000 0.941 -0.000) 0.941 7.165 ( 0.000 -2.617 -0.000) 2.617 7.236 ( 0.000 -1.053 -0.000) 1.053 7.256 ( 0.000 -0.505 -0.000) 0.505 7.269 ( -0.000 0.539 0.000) 0.539 7.417 ( 0.000 1.550 0.000) 1.550 7.450 ( 0.000 3.165 -0.000) 3.165 7.493 ( 0.000 -1.721 -0.000) 1.721 7.561 ( 0.000 2.784 0.000) 2.784 7.698 ( 0.000 3.396 -0.000) 3.396 7.715 ( -0.000 1.920 0.000) 1.920 7.765 ( 0.000 4.875 0.000) 4.875 7.912 ( 0.000 0.850 0.000) 0.850 8.026 ( -0.000 7.671 0.000) 7.671 8.142 ( 0.000 13.505 0.000) 13.505 8.215 ( -0.000 3.144 -0.000) 3.144 8.228 ( 0.000 18.846 -0.000) 18.846 8.371 ( 0.000 -0.651 0.000) 0.651 8.458 ( 0.000 8.553 0.000) 8.553 8.476 ( 0.000 4.046 0.000) 4.046 8.510 ( 0.000 -0.041 0.000) 0.041 8.747 ( 0.000 -1.178 -0.000) 1.178 8.760 ( 0.000 0.153 -0.000) 0.153 9.001 ( 0.000 0.199 0.000) 0.199 9.249 ( 0.000 -6.667 0.000) 6.667 9.382 ( -0.000 0.884 -0.000) 0.884 9.487 ( 0.000 -5.070 0.000) 5.070 9.603 ( -0.000 5.372 -0.000) 5.372 9.631 ( 0.000 -0.173 0.000) 0.173 9.866 ( 0.000 5.653 -0.000) 5.653 10.047 ( 0.000 3.387 -0.000) 3.387 10.052 ( 0.000 1.284 0.000) 1.284 10.141 ( 0.000 2.961 0.000) 2.961 ======================= Grid point 15 (10/55) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 0.000 12.865 0.000) 12.865 1.116 ( 0.000 1.254 0.000) 1.254 1.255 ( 0.000 16.456 0.000) 16.456 1.622 ( 0.000 3.982 0.000) 3.982 1.759 ( 0.000 4.327 0.000) 4.327 1.800 ( 0.000 6.950 0.000) 6.950 1.822 ( 0.000 5.151 0.000) 5.151 1.874 ( 0.000 6.280 0.000) 6.280 1.917 ( 0.000 8.923 0.000) 8.923 2.057 ( 0.000 2.576 0.000) 2.576 2.091 ( 0.000 2.889 0.000) 2.889 2.150 ( 0.000 5.045 0.000) 5.045 2.189 ( 0.000 0.614 0.000) 0.614 2.287 ( 0.000 5.360 0.000) 5.360 2.319 ( 0.000 1.306 0.000) 1.306 2.368 ( 0.000 -0.948 0.000) 0.948 2.371 ( 0.000 9.443 0.000) 9.443 2.437 ( 0.000 9.512 0.000) 9.512 2.491 ( 0.000 10.633 0.000) 10.633 2.534 ( 0.000 1.460 0.000) 1.460 2.623 ( 0.000 2.317 0.000) 2.317 2.737 ( 0.000 7.327 0.000) 7.327 2.771 ( 0.000 3.992 0.000) 3.992 2.812 ( 0.000 7.409 0.000) 7.409 2.874 ( 0.000 7.442 0.000) 7.442 2.904 ( 0.000 2.616 0.000) 2.616 3.057 ( 0.000 -0.131 0.000) 0.131 3.061 ( 0.000 -1.923 0.000) 1.923 3.371 ( 0.000 8.555 0.000) 8.555 3.412 ( 0.000 4.545 0.000) 4.545 3.514 ( 0.000 1.263 0.000) 1.263 3.561 ( 0.000 2.283 0.000) 2.283 3.601 ( 0.000 2.826 0.000) 2.826 3.777 ( 0.000 5.174 0.000) 5.174 3.798 ( 0.000 3.677 0.000) 3.677 3.922 ( 0.000 -5.544 0.000) 5.544 4.034 ( 0.000 2.916 0.000) 2.916 4.099 ( 0.000 1.388 0.000) 1.388 4.127 ( 0.000 2.225 0.000) 2.225 4.156 ( 0.000 5.449 0.000) 5.449 4.241 ( 0.000 5.766 0.000) 5.766 4.367 ( 0.000 -1.170 0.000) 1.170 4.392 ( 0.000 0.515 0.000) 0.515 4.528 ( 0.000 17.612 0.000) 17.612 4.602 ( 0.000 9.415 0.000) 9.415 4.765 ( 0.000 17.748 0.000) 17.748 4.818 ( 0.000 17.077 0.000) 17.077 4.885 ( 0.000 13.340 0.000) 13.340 4.981 ( 0.000 14.734 0.000) 14.734 5.185 ( 0.000 10.016 0.000) 10.016 5.218 ( 0.000 11.924 0.000) 11.924 5.250 ( 0.000 11.311 0.000) 11.311 5.312 ( 0.000 6.470 0.000) 6.470 5.345 ( 0.000 11.343 0.000) 11.343 5.492 ( 0.000 0.624 0.000) 0.624 5.620 ( 0.000 11.246 0.000) 11.246 5.631 ( 0.000 -0.361 0.000) 0.361 5.712 ( 0.000 2.576 0.000) 2.576 5.747 ( 0.000 9.809 0.000) 9.809 5.850 ( 0.000 3.122 0.000) 3.122 5.869 ( 0.000 1.895 0.000) 1.895 5.954 ( 0.000 0.319 0.000) 0.319 6.186 ( 0.000 -2.820 0.000) 2.820 6.249 ( 0.000 -8.170 0.000) 8.170 6.276 ( 0.000 -5.195 0.000) 5.195 6.401 ( 0.000 -2.096 0.000) 2.096 6.402 ( 0.000 -0.024 0.000) 0.024 6.485 ( 0.000 -9.106 0.000) 9.106 6.669 ( 0.000 -6.438 0.000) 6.438 6.743 ( 0.000 -9.548 0.000) 9.548 6.950 ( 0.000 -4.971 0.000) 4.971 6.953 ( 0.000 0.281 0.000) 0.281 6.991 ( 0.000 -7.795 0.000) 7.795 7.049 ( 0.000 -0.326 0.000) 0.326 7.118 ( 0.000 -0.955 0.000) 0.955 7.119 ( 0.000 -1.610 0.000) 1.610 7.220 ( 0.000 -1.369 0.000) 1.369 7.226 ( 0.000 2.274 0.000) 2.274 7.270 ( 0.000 3.749 0.000) 3.749 7.274 ( 0.000 -2.791 0.000) 2.791 7.310 ( 0.000 1.543 0.000) 1.543 7.431 ( 0.000 0.983 0.000) 0.983 7.526 ( 0.000 -0.427 0.000) 0.427 7.568 ( 0.000 -0.103 0.000) 0.103 7.628 ( 0.000 0.177 0.000) 0.177 7.760 ( 0.000 0.865 0.000) 0.865 7.791 ( 0.000 3.410 0.000) 3.410 8.003 ( 0.000 -1.042 0.000) 1.042 8.194 ( 0.000 3.594 0.000) 3.594 8.251 ( 0.000 1.560 0.000) 1.560 8.332 ( 0.000 -1.439 0.000) 1.439 8.357 ( 0.000 -1.110 0.000) 1.110 8.474 ( 0.000 11.035 0.000) 11.035 8.528 ( 0.000 1.107 0.000) 1.107 8.567 ( 0.000 5.237 0.000) 5.237 8.713 ( 0.000 5.466 0.000) 5.466 8.738 ( 0.000 5.223 0.000) 5.223 8.923 ( 0.000 9.641 0.000) 9.641 8.951 ( 0.000 1.646 0.000) 1.646 8.963 ( 0.000 -1.809 0.000) 1.809 9.453 ( 0.000 1.624 0.000) 1.624 9.482 ( 0.000 -0.378 0.000) 0.378 9.604 ( 0.000 1.844 0.000) 1.844 9.780 ( 0.000 0.216 0.000) 0.216 9.968 ( 0.000 5.393 0.000) 5.393 10.037 ( 0.000 0.980 0.000) 0.980 10.144 ( 0.000 4.193 0.000) 4.193 10.203 ( 0.000 2.693 0.000) 2.693 ======================= Grid point 16 (11/55) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 4.169 5.035 5.522) 8.557 1.126 ( 5.718 5.126 -0.047) 7.679 1.312 ( 6.095 14.865 -0.290) 16.068 1.586 ( -4.876 6.210 -1.842) 8.108 1.668 ( -7.554 8.294 -0.171) 11.220 1.674 ( -7.044 4.638 -3.292) 9.054 1.852 ( 1.333 2.973 0.575) 3.309 1.911 ( 1.782 5.329 -0.281) 5.626 1.954 ( 0.571 7.627 -0.164) 7.650 2.045 ( -2.720 2.378 2.777) 4.557 2.074 ( 0.828 3.097 -2.037) 3.799 2.137 ( -3.901 -1.874 -1.694) 4.648 2.174 ( 3.142 6.592 0.344) 7.311 2.232 ( -3.483 3.517 -0.159) 4.952 2.313 ( -0.038 4.592 -1.887) 4.965 2.345 ( -1.021 7.575 0.263) 7.648 2.387 ( 1.481 3.837 0.278) 4.122 2.446 ( -1.274 8.869 1.509) 9.086 2.531 ( 0.790 8.905 1.720) 9.104 2.563 ( 3.358 4.281 -0.581) 5.471 2.587 ( -1.186 5.679 -0.410) 5.816 2.708 ( -2.438 6.552 0.901) 7.049 2.775 ( -0.003 5.484 1.585) 5.709 2.832 ( -2.032 6.528 0.723) 6.875 2.878 ( 2.841 8.356 1.944) 9.037 2.968 ( 1.683 1.786 -2.097) 3.228 3.042 ( 1.748 -0.604 0.522) 1.922 3.075 ( 1.916 1.112 -4.260) 4.801 3.392 ( 0.653 6.493 -1.093) 6.616 3.412 ( 0.129 3.768 3.260) 4.985 3.469 ( 1.950 3.040 -2.223) 4.242 3.576 ( -0.190 2.652 -0.362) 2.683 3.677 ( 2.311 -1.273 2.209) 3.441 3.702 ( -0.614 4.603 -0.868) 4.724 3.840 ( 1.864 2.704 -0.661) 3.350 3.885 ( -2.980 -6.699 -1.619) 7.508 4.066 ( -2.979 4.469 -3.613) 6.473 4.087 ( -3.428 -0.765 0.498) 3.547 4.158 ( 3.032 3.290 1.321) 4.665 4.196 ( -0.118 7.486 0.343) 7.495 4.205 ( -3.908 4.858 0.491) 6.254 4.287 ( 2.919 1.677 2.984) 4.499 4.350 ( -2.146 0.772 1.447) 2.701 4.491 ( -3.377 8.901 -1.443) 9.628 4.611 ( 1.488 14.899 1.655) 15.065 4.744 ( -1.296 19.831 1.052) 19.901 4.802 ( -1.774 13.037 -1.871) 13.289 4.924 ( -0.077 10.543 -0.571) 10.559 5.015 ( 2.437 17.367 1.164) 17.576 5.135 ( -4.058 4.431 -3.448) 6.928 5.231 ( -0.498 13.166 -2.925) 13.496 5.235 ( 0.002 21.399 0.535) 21.406 5.286 ( 0.115 7.790 1.467) 7.928 5.361 ( -0.892 7.376 -0.735) 7.466 5.548 ( 2.390 1.260 2.920) 3.979 5.580 ( 1.500 0.404 1.337) 2.050 5.664 ( -1.378 7.912 1.169) 8.116 5.671 ( 2.098 7.720 0.041) 8.000 5.718 ( -1.149 6.573 -2.653) 7.181 5.888 ( -1.377 3.306 2.961) 4.647 5.936 ( 4.026 5.216 0.903) 6.651 6.040 ( 9.657 -0.239 -1.566) 9.786 6.199 ( 0.264 -4.104 3.027) 5.107 6.237 ( 0.383 -9.754 -3.426) 10.346 6.286 ( 1.152 -4.763 0.583) 4.935 6.349 ( -4.189 -1.697 -1.272) 4.695 6.404 ( -0.894 -2.217 0.935) 2.567 6.503 ( 1.324 -8.017 -0.370) 8.134 6.670 ( 0.234 -6.675 0.230) 6.683 6.750 ( 0.578 -7.894 0.313) 7.922 6.876 ( -3.961 -2.401 0.409) 4.650 6.915 ( -4.685 -7.377 -2.267) 9.029 7.025 ( 3.711 -1.779 -0.924) 4.218 7.074 ( 0.298 -0.798 1.383) 1.624 7.109 ( 0.690 -1.400 -2.044) 2.572 7.121 ( 0.486 -0.911 -1.142) 1.540 7.172 ( -0.767 -0.204 -3.170) 3.268 7.210 ( -0.730 -1.702 -0.103) 1.855 7.253 ( -0.688 0.877 1.168) 1.614 7.289 ( -0.280 1.652 -1.173) 2.046 7.406 ( 4.998 0.478 0.669) 5.065 7.449 ( 0.303 0.165 2.143) 2.171 7.530 ( -2.654 0.984 1.325) 3.125 7.565 ( 1.341 -0.114 3.412) 3.668 7.653 ( 3.614 -0.313 0.062) 3.628 7.754 ( -0.549 1.646 0.334) 1.767 7.808 ( 1.913 2.365 -0.349) 3.062 7.957 ( -4.145 -0.288 0.156) 4.158 8.170 ( -2.861 2.535 -0.925) 3.933 8.252 ( -0.094 1.186 0.015) 1.190 8.308 ( -1.195 0.186 -1.456) 1.893 8.356 ( -0.263 -1.042 0.161) 1.086 8.503 ( 1.903 6.985 0.284) 7.245 8.525 ( -0.221 2.462 -0.281) 2.488 8.588 ( 1.642 7.969 1.874) 8.349 8.665 ( -1.374 7.375 -1.258) 7.607 8.775 ( 0.406 1.910 1.119) 2.251 8.835 ( -3.671 9.779 -1.088) 10.502 8.982 ( 2.112 -0.066 0.275) 2.131 9.074 ( 6.708 -1.018 2.127) 7.110 9.425 ( -2.210 1.005 -0.296) 2.446 9.466 ( -2.064 -0.332 -0.831) 2.249 9.612 ( 1.130 2.058 0.555) 2.413 9.742 ( -2.838 1.227 -2.147) 3.764 9.974 ( 0.302 5.199 0.188) 5.211 10.049 ( 0.758 0.746 1.133) 1.554 10.140 ( -0.262 4.423 -0.301) 4.441 10.205 ( 0.155 2.765 -0.114) 2.772 ======================= Grid point 17 (12/55) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.000 2.685 0.000) 2.685 1.264 ( 0.000 2.225 0.000) 2.225 1.410 ( 0.000 9.705 0.000) 9.705 1.486 ( -0.000 11.518 -0.000) 11.518 1.522 ( -0.000 10.200 0.000) 10.200 1.639 ( 0.000 6.454 0.000) 6.454 1.857 ( 0.000 -2.115 0.000) 2.115 1.922 ( 0.000 4.046 0.000) 4.046 1.943 ( 0.000 8.158 -0.000) 8.158 2.046 ( 0.000 3.570 -0.000) 3.570 2.068 ( 0.000 5.296 0.000) 5.296 2.097 ( 0.000 -1.954 -0.000) 1.954 2.181 ( -0.000 3.380 0.000) 3.380 2.222 ( 0.000 3.099 0.000) 3.099 2.317 ( 0.000 4.583 0.000) 4.583 2.359 ( 0.000 11.711 0.000) 11.711 2.389 ( -0.000 3.304 0.000) 3.304 2.437 ( 0.000 11.082 0.000) 11.082 2.533 ( 0.000 6.048 -0.000) 6.048 2.551 ( 0.000 7.823 0.000) 7.823 2.650 ( -0.000 10.885 0.000) 10.885 2.685 ( 0.000 2.408 -0.000) 2.408 2.771 ( 0.000 4.427 -0.000) 4.427 2.797 ( -0.000 8.483 0.000) 8.483 2.904 ( 0.000 5.946 0.000) 5.946 2.983 ( 0.000 4.161 0.000) 4.161 3.011 ( 0.000 7.456 -0.000) 7.456 3.118 ( 0.000 -2.182 -0.000) 2.182 3.384 ( -0.000 4.095 -0.000) 4.095 3.455 ( 0.000 2.619 -0.000) 2.619 3.495 ( 0.000 1.426 0.000) 1.426 3.572 ( 0.000 3.686 0.000) 3.686 3.697 ( 0.000 -3.621 0.000) 3.621 3.725 ( 0.000 0.987 -0.000) 0.987 3.854 ( -0.000 -5.032 0.000) 5.032 3.855 ( 0.000 0.941 -0.000) 0.941 3.908 ( 0.000 3.451 -0.000) 3.451 4.054 ( 0.000 1.740 -0.000) 1.740 4.159 ( 0.000 7.321 0.000) 7.321 4.174 ( 0.000 4.599 0.000) 4.599 4.270 ( -0.000 3.347 -0.000) 3.347 4.309 ( 0.000 7.986 0.000) 7.986 4.406 ( 0.000 -1.822 -0.000) 1.822 4.440 ( 0.000 7.912 0.000) 7.912 4.672 ( -0.000 13.500 -0.000) 13.500 4.731 ( 0.000 7.961 -0.000) 7.961 4.745 ( -0.000 21.028 0.000) 21.028 4.915 ( 0.000 10.750 0.000) 10.750 5.025 ( 0.000 13.550 -0.000) 13.550 5.046 ( 0.000 11.718 0.000) 11.718 5.234 ( 0.000 22.780 -0.000) 22.780 5.267 ( -0.000 14.959 0.000) 14.959 5.276 ( 0.000 4.991 0.000) 4.991 5.334 ( 0.000 7.432 0.000) 7.432 5.578 ( 0.000 3.028 -0.000) 3.028 5.628 ( -0.000 1.243 0.000) 1.243 5.669 ( 0.000 3.354 -0.000) 3.354 5.671 ( 0.000 8.069 -0.000) 8.069 5.713 ( -0.000 10.896 0.000) 10.896 5.874 ( 0.000 2.831 0.000) 2.831 5.994 ( -0.000 6.480 0.000) 6.480 6.118 ( 0.000 0.509 0.000) 0.509 6.225 ( -0.000 -1.009 0.000) 1.009 6.225 ( 0.000 -12.368 -0.000) 12.368 6.285 ( 0.000 -9.480 0.000) 9.480 6.316 ( 0.000 -1.302 0.000) 1.302 6.392 ( 0.000 -1.898 0.000) 1.898 6.511 ( -0.000 -8.490 0.000) 8.490 6.677 ( 0.000 -6.660 0.000) 6.660 6.760 ( 0.000 -4.692 -0.000) 4.692 6.846 ( 0.000 -4.011 -0.000) 4.011 6.852 ( -0.000 -7.396 0.000) 7.396 7.066 ( 0.000 -0.597 0.000) 0.597 7.072 ( -0.000 -1.902 -0.000) 1.902 7.109 ( 0.000 -2.176 -0.000) 2.176 7.131 ( 0.000 0.836 0.000) 0.836 7.145 ( 0.000 -0.737 -0.000) 0.737 7.199 ( 0.000 -2.779 0.000) 2.779 7.258 ( 0.000 1.012 -0.000) 1.012 7.284 ( -0.000 1.078 0.000) 1.078 7.437 ( 0.000 0.489 -0.000) 0.489 7.443 ( 0.000 -1.512 0.000) 1.512 7.525 ( 0.000 3.231 -0.000) 3.231 7.591 ( 0.000 0.515 0.000) 0.515 7.707 ( 0.000 -1.862 -0.000) 1.862 7.750 ( 0.000 1.949 0.000) 1.949 7.834 ( 0.000 1.836 0.000) 1.836 7.915 ( 0.000 -0.469 0.000) 0.469 8.120 ( 0.000 2.816 0.000) 2.816 8.250 ( 0.000 1.027 0.000) 1.027 8.292 ( 0.000 0.781 -0.000) 0.781 8.353 ( 0.000 -0.962 0.000) 0.962 8.517 ( 0.000 0.891 -0.000) 0.891 8.527 ( 0.000 5.850 0.000) 5.850 8.610 ( -0.000 17.015 -0.000) 17.015 8.662 ( 0.000 2.496 0.000) 2.496 8.772 ( -0.000 1.035 -0.000) 1.035 8.801 ( 0.000 9.457 0.000) 9.457 9.010 ( 0.000 0.535 0.000) 0.535 9.149 ( 0.000 -3.911 0.000) 3.911 9.403 ( -0.000 1.415 -0.000) 1.415 9.430 ( 0.000 -0.591 0.000) 0.591 9.638 ( -0.000 0.990 -0.000) 0.990 9.694 ( 0.000 3.089 0.000) 3.089 9.977 ( 0.000 5.136 0.000) 5.136 10.062 ( 0.000 0.463 0.000) 0.463 10.136 ( 0.000 4.756 0.000) 4.756 10.206 ( 0.000 2.836 0.000) 2.836 ======================= Grid point 20 (13/55) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 1.413 0.000) 1.413 1.146 ( 0.000 2.444 0.000) 2.444 1.520 ( 0.000 10.158 0.000) 10.158 1.644 ( 0.000 -2.291 0.000) 2.291 1.857 ( 0.000 5.604 0.000) 5.604 1.893 ( 0.000 2.417 0.000) 2.417 1.935 ( 0.000 4.476 0.000) 4.476 1.966 ( 0.000 1.830 0.000) 1.830 2.023 ( 0.000 1.741 0.000) 1.741 2.034 ( 0.000 -1.645 0.000) 1.645 2.119 ( 0.000 0.344 0.000) 0.344 2.138 ( 0.000 -3.130 0.000) 3.130 2.277 ( 0.000 4.853 0.000) 4.853 2.331 ( 0.000 -0.604 0.000) 0.604 2.341 ( 0.000 0.907 0.000) 0.907 2.353 ( 0.000 -0.475 0.000) 0.475 2.506 ( 0.000 4.205 0.000) 4.205 2.535 ( 0.000 1.114 0.000) 1.114 2.597 ( 0.000 3.503 0.000) 3.503 2.636 ( 0.000 0.223 0.000) 0.223 2.674 ( 0.000 5.983 0.000) 5.983 2.756 ( 0.000 -1.952 0.000) 1.952 2.894 ( 0.000 5.481 0.000) 5.481 2.923 ( 0.000 3.649 0.000) 3.649 2.953 ( 0.000 0.836 0.000) 0.836 2.969 ( 0.000 -0.873 0.000) 0.873 3.036 ( 0.000 1.848 0.000) 1.848 3.063 ( 0.000 0.122 0.000) 0.122 3.507 ( 0.000 4.414 0.000) 4.414 3.521 ( 0.000 3.619 0.000) 3.619 3.544 ( 0.000 3.497 0.000) 3.497 3.578 ( 0.000 0.085 0.000) 0.085 3.631 ( 0.000 0.828 0.000) 0.828 3.734 ( 0.000 -8.292 0.000) 8.292 3.845 ( 0.000 1.859 0.000) 1.859 3.860 ( 0.000 0.004 0.000) 0.004 4.086 ( 0.000 1.764 0.000) 1.764 4.106 ( 0.000 -0.291 0.000) 0.291 4.181 ( 0.000 2.775 0.000) 2.775 4.213 ( 0.000 0.167 0.000) 0.167 4.306 ( 0.000 2.417 0.000) 2.417 4.344 ( 0.000 -1.408 0.000) 1.408 4.416 ( 0.000 2.587 0.000) 2.587 4.497 ( 0.000 -5.057 0.000) 5.057 5.012 ( 0.000 16.696 0.000) 16.696 5.049 ( 0.000 6.561 0.000) 6.561 5.065 ( 0.000 4.242 0.000) 4.242 5.182 ( 0.000 2.117 0.000) 2.117 5.183 ( 0.000 16.019 0.000) 16.019 5.221 ( 0.000 1.486 0.000) 1.486 5.300 ( 0.000 2.855 0.000) 2.855 5.429 ( 0.000 -3.123 0.000) 3.123 5.462 ( 0.000 7.625 0.000) 7.625 5.539 ( 0.000 2.422 0.000) 2.422 5.542 ( 0.000 4.872 0.000) 4.872 5.635 ( 0.000 -0.454 0.000) 0.454 5.790 ( 0.000 6.274 0.000) 6.274 5.840 ( 0.000 10.415 0.000) 10.415 5.904 ( 0.000 2.616 0.000) 2.616 5.915 ( 0.000 5.310 0.000) 5.310 5.966 ( 0.000 0.444 0.000) 0.444 5.978 ( 0.000 4.606 0.000) 4.606 6.047 ( 0.000 -0.856 0.000) 0.856 6.091 ( 0.000 -10.171 0.000) 10.171 6.106 ( 0.000 -6.719 0.000) 6.719 6.274 ( 0.000 -11.114 0.000) 11.114 6.505 ( 0.000 8.792 0.000) 8.792 6.569 ( 0.000 -1.734 0.000) 1.734 6.571 ( 0.000 -3.350 0.000) 3.350 6.578 ( 0.000 8.466 0.000) 8.466 6.772 ( 0.000 -11.901 0.000) 11.901 6.808 ( 0.000 -9.407 0.000) 9.407 6.988 ( 0.000 1.837 0.000) 1.837 7.025 ( 0.000 -1.757 0.000) 1.757 7.096 ( 0.000 -0.724 0.000) 0.724 7.098 ( 0.000 -0.939 0.000) 0.939 7.199 ( 0.000 0.011 0.000) 0.011 7.221 ( 0.000 -2.073 0.000) 2.073 7.276 ( 0.000 2.617 0.000) 2.617 7.316 ( 0.000 -0.935 0.000) 0.935 7.362 ( 0.000 4.514 0.000) 4.514 7.429 ( 0.000 -1.704 0.000) 1.704 7.512 ( 0.000 -0.220 0.000) 0.220 7.533 ( 0.000 -2.152 0.000) 2.152 7.672 ( 0.000 3.619 0.000) 3.619 7.740 ( 0.000 -2.655 0.000) 2.655 7.865 ( 0.000 4.162 0.000) 4.162 7.950 ( 0.000 -4.026 0.000) 4.026 8.231 ( 0.000 1.150 0.000) 1.150 8.256 ( 0.000 -1.167 0.000) 1.167 8.315 ( 0.000 0.536 0.000) 0.536 8.335 ( 0.000 -1.146 0.000) 1.146 8.538 ( 0.000 1.259 0.000) 1.259 8.569 ( 0.000 -1.653 0.000) 1.653 8.656 ( 0.000 6.832 0.000) 6.832 8.758 ( 0.000 -2.911 0.000) 2.911 8.846 ( 0.000 5.056 0.000) 5.056 8.921 ( 0.000 -2.576 0.000) 2.576 9.042 ( 0.000 5.115 0.000) 5.115 9.065 ( 0.000 3.377 0.000) 3.377 9.485 ( 0.000 1.155 0.000) 1.155 9.486 ( 0.000 0.622 0.000) 0.622 9.659 ( 0.000 3.748 0.000) 3.748 9.740 ( 0.000 -3.747 0.000) 3.747 10.047 ( 0.000 2.419 0.000) 2.419 10.061 ( 0.000 0.778 0.000) 0.778 10.213 ( 0.000 2.491 0.000) 2.491 10.235 ( 0.000 0.327 0.000) 0.327 ======================= Grid point 21 (14/55) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 1.164 2.317 1.494) 2.992 1.191 ( 3.718 -0.018 1.564) 4.034 1.554 ( 3.335 9.073 0.202) 9.668 1.649 ( 0.178 -0.330 0.546) 0.663 1.771 ( -6.405 5.054 -2.936) 8.671 1.819 ( -5.600 3.738 -1.029) 6.811 1.883 ( -5.525 2.172 -0.710) 5.979 1.954 ( -1.902 -1.599 -0.599) 2.556 2.018 ( -0.420 0.991 -0.134) 1.084 2.053 ( -0.842 -1.675 3.995) 4.413 2.118 ( 0.992 1.591 -2.386) 3.035 2.131 ( 1.435 1.028 -2.248) 2.858 2.260 ( -3.196 1.656 0.061) 3.600 2.271 ( -1.408 0.740 -0.852) 1.804 2.368 ( 2.239 2.863 0.382) 3.655 2.401 ( 2.089 -0.070 0.610) 2.177 2.519 ( 2.069 5.694 -0.133) 6.059 2.566 ( 2.598 1.531 0.197) 3.022 2.613 ( 0.597 2.852 2.417) 3.785 2.631 ( -0.848 1.477 0.768) 1.868 2.711 ( 3.080 4.465 1.164) 5.547 2.757 ( -0.304 -0.627 0.355) 0.782 2.880 ( 0.286 4.902 -1.971) 5.291 2.936 ( 1.828 1.527 -1.809) 2.991 2.985 ( -2.818 0.877 2.099) 3.621 3.014 ( 2.549 -0.166 3.847) 4.618 3.023 ( 3.261 4.510 0.826) 5.627 3.087 ( 3.166 -0.929 -2.716) 4.274 3.490 ( -0.863 3.883 1.247) 4.169 3.512 ( -1.707 5.157 -0.471) 5.453 3.535 ( 0.468 1.790 -4.472) 4.839 3.592 ( -0.197 -1.277 1.138) 1.722 3.637 ( 0.534 -0.258 -0.278) 0.655 3.728 ( -1.427 -7.211 -0.227) 7.355 3.785 ( -2.501 3.417 -1.412) 4.464 3.842 ( -1.601 -2.108 -1.482) 3.034 4.080 ( -3.870 0.378 -0.379) 3.907 4.090 ( -2.453 -0.469 -2.465) 3.509 4.221 ( 1.553 2.565 -0.193) 3.004 4.253 ( 0.739 -0.033 -0.572) 0.935 4.296 ( 4.071 2.995 1.443) 5.256 4.342 ( 0.829 -0.954 0.674) 1.432 4.356 ( -1.690 5.242 3.881) 6.737 4.463 ( -3.387 -4.850 3.458) 6.852 4.975 ( -5.695 8.764 -1.085) 10.507 5.025 ( -1.509 9.063 -0.159) 9.189 5.045 ( -1.712 7.559 -1.057) 7.822 5.147 ( -1.476 10.931 -0.870) 11.064 5.181 ( -1.120 1.154 -0.952) 1.869 5.245 ( -1.429 4.465 0.385) 4.704 5.364 ( 4.534 5.913 -1.194) 7.546 5.459 ( 6.913 3.588 -1.215) 7.882 5.477 ( 0.137 4.994 1.577) 5.239 5.521 ( -0.646 3.071 -1.137) 3.338 5.547 ( 1.044 0.976 0.009) 1.430 5.608 ( -1.070 0.592 2.034) 2.373 5.766 ( -1.429 8.641 1.757) 8.933 5.873 ( -1.251 7.685 -3.916) 8.716 5.902 ( 3.007 8.349 2.230) 9.150 5.963 ( 0.895 -1.597 1.482) 2.355 6.011 ( 2.926 -2.157 -3.297) 4.908 6.035 ( 7.571 -0.278 -1.064) 7.651 6.068 ( 1.247 1.112 0.056) 1.672 6.085 ( -0.545 -4.203 8.843) 9.807 6.109 ( 1.122 -5.608 -3.419) 6.663 6.290 ( 0.815 -10.038 1.993) 10.266 6.449 ( -4.678 5.924 -1.613) 7.719 6.533 ( -3.539 -0.892 0.287) 3.661 6.577 ( 0.644 5.889 0.150) 5.926 6.620 ( 2.740 -1.243 0.051) 3.009 6.729 ( -2.606 -10.338 -2.467) 10.943 6.781 ( -2.280 -8.262 1.534) 8.707 7.012 ( 2.496 0.833 -1.726) 3.147 7.043 ( 0.747 -1.912 0.502) 2.113 7.083 ( 0.142 -0.336 -1.799) 1.836 7.101 ( 1.628 -1.639 -3.031) 3.811 7.166 ( -1.906 -0.162 -0.708) 2.040 7.174 ( -2.506 -1.165 -0.237) 2.773 7.287 ( -0.119 2.106 0.538) 2.177 7.312 ( -1.001 0.078 -0.283) 1.043 7.422 ( 3.214 1.022 -0.385) 3.395 7.442 ( 0.394 -0.882 -1.253) 1.582 7.538 ( 1.223 0.210 4.500) 4.668 7.551 ( 1.730 -0.997 4.396) 4.828 7.679 ( 0.849 3.114 -0.217) 3.235 7.745 ( 0.517 -2.570 -0.128) 2.625 7.859 ( -0.412 3.086 0.035) 3.113 7.923 ( -2.654 -2.945 0.151) 3.968 8.202 ( -2.612 1.447 -0.929) 3.127 8.239 ( -1.289 -2.106 -0.707) 2.569 8.310 ( -0.369 1.031 -0.243) 1.122 8.334 ( -0.164 -1.223 -0.049) 1.235 8.541 ( 0.300 1.479 -0.114) 1.513 8.571 ( 0.377 -1.199 -0.086) 1.260 8.681 ( 1.836 5.353 1.535) 5.864 8.761 ( -0.110 -2.112 0.145) 2.120 8.859 ( 1.617 6.384 -0.072) 6.586 8.941 ( 1.691 -1.499 -0.150) 2.265 9.025 ( -0.934 5.169 -0.458) 5.272 9.077 ( 0.357 0.006 0.854) 0.926 9.456 ( -2.009 1.734 -0.291) 2.670 9.471 ( -1.885 0.267 -0.463) 1.959 9.664 ( 0.581 3.178 -0.214) 3.238 9.726 ( -0.917 -2.563 -1.024) 2.908 10.051 ( 0.193 2.371 0.232) 2.390 10.067 ( 0.354 0.525 0.511) 0.814 10.213 ( 0.055 2.640 -0.117) 2.643 10.237 ( 0.191 0.298 -0.074) 0.361 ======================= Grid point 22 (15/55) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 3.077 0.000) 3.077 1.242 ( 0.000 -2.781 0.000) 2.781 1.595 ( 0.000 7.278 0.000) 7.278 1.645 ( 0.000 4.409 0.000) 4.409 1.691 ( 0.000 4.023 0.000) 4.023 1.784 ( 0.000 9.628 0.000) 9.628 1.789 ( -0.000 -4.635 -0.000) 4.635 1.929 ( 0.000 -3.866 0.000) 3.866 2.018 ( 0.000 1.511 -0.000) 1.511 2.052 ( -0.000 -2.102 0.000) 2.102 2.126 ( 0.000 3.012 -0.000) 3.012 2.137 ( -0.000 1.651 0.000) 1.651 2.228 ( -0.000 1.821 0.000) 1.821 2.250 ( 0.000 -0.055 0.000) 0.055 2.395 ( 0.000 2.794 0.000) 2.794 2.420 ( 0.000 0.236 0.000) 0.236 2.547 ( 0.000 6.395 0.000) 6.395 2.590 ( 0.000 2.700 -0.000) 2.700 2.624 ( 0.000 3.185 -0.000) 3.185 2.637 ( 0.000 1.966 0.000) 1.966 2.740 ( 0.000 2.506 -0.000) 2.506 2.770 ( 0.000 0.078 0.000) 0.078 2.882 ( -0.000 7.570 -0.000) 7.570 2.921 ( 0.000 3.594 0.000) 3.594 2.976 ( 0.000 1.832 0.000) 1.832 3.048 ( 0.000 -4.965 -0.000) 4.965 3.078 ( 0.000 3.993 0.000) 3.993 3.105 ( 0.000 1.700 -0.000) 1.700 3.477 ( 0.000 5.274 -0.000) 5.274 3.506 ( -0.000 2.064 0.000) 2.064 3.518 ( 0.000 0.771 0.000) 0.771 3.584 ( 0.000 -4.676 0.000) 4.676 3.639 ( 0.000 1.185 0.000) 1.185 3.704 ( 0.000 -4.428 -0.000) 4.428 3.774 ( 0.000 0.176 -0.000) 0.176 3.807 ( 0.000 -2.582 0.000) 2.582 4.003 ( 0.000 3.722 0.000) 3.722 4.053 ( 0.000 -1.418 0.000) 1.418 4.223 ( 0.000 1.907 -0.000) 1.907 4.238 ( 0.000 0.944 0.000) 0.944 4.360 ( 0.000 2.242 0.000) 2.242 4.368 ( 0.000 0.605 0.000) 0.605 4.400 ( 0.000 2.936 0.000) 2.936 4.472 ( 0.000 -2.642 -0.000) 2.642 4.889 ( -0.000 7.183 -0.000) 7.183 4.976 ( 0.000 -0.351 0.000) 0.351 5.044 ( 0.000 16.877 0.000) 16.877 5.135 ( 0.000 9.168 0.000) 9.168 5.153 ( 0.000 3.225 -0.000) 3.225 5.224 ( 0.000 1.067 -0.000) 1.067 5.395 ( 0.000 10.128 0.000) 10.128 5.488 ( 0.000 5.572 -0.000) 5.572 5.498 ( -0.000 6.761 0.000) 6.761 5.535 ( 0.000 4.832 -0.000) 4.832 5.575 ( 0.000 -2.482 0.000) 2.482 5.619 ( 0.000 -0.865 -0.000) 0.865 5.759 ( 0.000 7.467 0.000) 7.467 5.848 ( 0.000 8.731 -0.000) 8.731 5.953 ( -0.000 4.857 0.000) 4.857 5.966 ( 0.000 -2.847 -0.000) 2.847 6.006 ( 0.000 1.385 0.000) 1.385 6.078 ( 0.000 -9.990 0.000) 9.990 6.093 ( 0.000 -2.875 -0.000) 2.875 6.132 ( -0.000 6.257 -0.000) 6.257 6.133 ( 0.000 -0.271 0.000) 0.271 6.309 ( -0.000 -9.881 0.000) 9.881 6.382 ( 0.000 5.289 0.000) 5.289 6.486 ( 0.000 -1.212 -0.000) 1.212 6.590 ( 0.000 2.995 0.000) 2.995 6.639 ( 0.000 -4.414 -0.000) 4.414 6.701 ( -0.000 -5.578 0.000) 5.578 6.771 ( 0.000 -6.026 0.000) 6.026 7.031 ( -0.000 -0.868 0.000) 0.868 7.044 ( 0.000 -1.375 0.000) 1.375 7.080 ( 0.000 -0.153 -0.000) 0.153 7.110 ( 0.000 -2.665 0.000) 2.665 7.142 ( -0.000 0.297 -0.000) 0.297 7.152 ( 0.000 -1.162 0.000) 1.162 7.288 ( 0.000 1.581 -0.000) 1.581 7.303 ( -0.000 0.308 0.000) 0.308 7.429 ( 0.000 0.107 -0.000) 0.107 7.437 ( 0.000 -0.374 0.000) 0.374 7.581 ( 0.000 1.515 0.000) 1.515 7.591 ( 0.000 -0.268 -0.000) 0.268 7.690 ( -0.000 1.612 0.000) 1.612 7.751 ( 0.000 -2.486 0.000) 2.486 7.858 ( 0.000 1.529 0.000) 1.529 7.893 ( 0.000 -1.674 0.000) 1.674 8.166 ( 0.000 2.408 0.000) 2.408 8.222 ( 0.000 -3.038 0.000) 3.038 8.305 ( 0.000 1.298 -0.000) 1.298 8.331 ( 0.000 -1.257 0.000) 1.257 8.543 ( 0.000 1.726 0.000) 1.726 8.576 ( 0.000 -0.959 0.000) 0.959 8.711 ( -0.000 3.391 -0.000) 3.391 8.755 ( 0.000 -0.636 0.000) 0.636 8.882 ( 0.000 7.918 -0.000) 7.918 8.952 ( 0.000 2.441 0.000) 2.441 9.019 ( 0.000 1.710 0.000) 1.710 9.082 ( 0.000 -3.230 0.000) 3.230 9.437 ( -0.000 1.629 -0.000) 1.629 9.445 ( 0.000 0.946 0.000) 0.946 9.671 ( 0.000 2.235 0.000) 2.235 9.711 ( 0.000 -1.187 0.000) 1.187 10.053 ( 0.000 2.440 0.000) 2.440 10.073 ( 0.000 0.219 0.000) 0.219 10.213 ( 0.000 2.779 0.000) 2.779 10.238 ( 0.000 0.277 0.000) 0.277 ======================= Grid point 45 (16/55) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -4.411 0.000 19.717) 20.204 0.443 ( 7.821 0.000 23.485) 24.753 0.809 ( -8.134 0.000 35.740) 36.654 1.102 ( -6.036 0.000 -0.279) 6.042 1.184 ( -2.229 0.000 -0.846) 2.384 1.251 ( -0.743 0.000 3.349) 3.430 1.440 ( -1.788 0.000 5.239) 5.535 1.541 ( -0.088 0.000 1.671) 1.674 1.663 ( -4.437 0.000 5.799) 7.302 1.695 ( -4.867 0.000 7.961) 9.331 1.734 ( 6.077 0.000 -0.692) 6.116 1.788 ( -1.248 0.000 4.094) 4.280 1.830 ( 1.962 0.000 0.143) 1.967 1.982 ( -1.281 0.000 1.989) 2.366 2.004 ( 0.180 0.000 3.924) 3.928 2.006 ( 0.134 0.000 -2.028) 2.032 2.092 ( -0.393 0.000 1.689) 1.734 2.229 ( -4.949 0.000 -5.406) 7.329 2.274 ( -0.910 0.000 6.249) 6.315 2.387 ( -0.835 0.000 0.928) 1.249 2.457 ( 3.890 0.000 -3.887) 5.499 2.569 ( -6.253 0.000 -4.054) 7.452 2.650 ( 0.763 0.000 1.260) 1.473 2.721 ( 5.614 0.000 -6.089) 8.282 2.775 ( 1.574 0.000 -8.788) 8.928 2.879 ( 5.990 0.000 -2.882) 6.647 2.943 ( -4.020 0.000 2.944) 4.983 3.006 ( -2.306 0.000 6.145) 6.564 3.072 ( -9.576 0.000 -0.346) 9.582 3.124 ( -5.229 0.000 -6.752) 8.540 3.304 ( 8.441 0.000 -0.877) 8.486 3.312 ( -5.191 0.000 0.659) 5.233 3.362 ( 7.134 0.000 -3.112) 7.784 3.441 ( -5.062 0.000 8.834) 10.182 3.479 ( -2.940 0.000 2.990) 4.194 3.543 ( -7.830 0.000 -4.091) 8.835 3.731 ( 6.013 0.000 3.555) 6.985 3.734 ( -4.272 0.000 15.555) 16.131 3.779 ( 9.110 0.000 5.285) 10.532 3.798 ( 0.444 0.000 -0.383) 0.586 3.938 ( 1.243 0.000 -0.597) 1.379 4.082 ( -6.372 0.000 6.107) 8.826 4.133 ( -2.031 0.000 -4.212) 4.676 4.249 ( 5.407 0.000 1.975) 5.756 4.286 ( 3.811 0.000 -1.422) 4.068 4.374 ( 3.749 0.000 7.250) 8.162 4.515 ( 2.628 0.000 -0.965) 2.800 4.535 ( -10.870 0.000 -0.346) 10.876 4.693 ( -6.854 0.000 -3.353) 7.630 4.727 ( -4.295 0.000 8.346) 9.387 4.878 ( 0.222 0.000 7.034) 7.038 4.940 ( -1.452 0.000 -4.233) 4.475 5.009 ( 5.676 0.000 2.032) 6.029 5.186 ( 5.391 0.000 -1.528) 5.603 5.345 ( 4.183 0.000 -15.758) 16.304 5.444 ( 5.183 0.000 -15.114) 15.978 5.470 ( 0.285 0.000 4.440) 4.449 5.484 ( 1.104 0.000 -11.738) 11.790 5.570 ( 1.450 0.000 -11.621) 11.711 5.600 ( -0.014 0.000 -2.806) 2.806 5.728 ( 4.529 0.000 -8.226) 9.390 5.853 ( 5.884 0.000 -8.834) 10.614 6.145 ( 3.762 0.000 2.820) 4.701 6.368 ( -2.964 0.000 -3.417) 4.523 6.770 ( -3.039 0.000 3.418) 4.574 6.809 ( -1.020 0.000 0.604) 1.186 6.891 ( 1.707 0.000 2.121) 2.722 6.900 ( 0.811 0.000 4.191) 4.269 6.913 ( -0.740 0.000 3.886) 3.955 6.951 ( 1.079 0.000 -3.650) 3.807 6.985 ( -0.064 0.000 -0.550) 0.554 7.029 ( -11.002 0.000 -2.442) 11.270 7.031 ( -1.531 0.000 0.297) 1.559 7.068 ( 0.240 0.000 -0.417) 0.481 7.112 ( -0.491 0.000 0.470) 0.679 7.125 ( 0.935 0.000 0.713) 1.175 7.236 ( -2.854 0.000 4.254) 5.123 7.271 ( -0.706 0.000 2.998) 3.080 7.301 ( -0.213 0.000 1.374) 1.390 7.311 ( -1.009 0.000 3.096) 3.256 7.362 ( 0.445 0.000 2.063) 2.110 7.384 ( -0.109 0.000 1.934) 1.937 7.462 ( 2.888 0.000 2.899) 4.092 7.467 ( -2.203 0.000 3.056) 3.767 7.561 ( 1.787 0.000 3.000) 3.492 7.610 ( -2.903 0.000 3.400) 4.471 7.619 ( -4.257 0.000 6.689) 7.929 7.710 ( -0.641 0.000 1.957) 2.060 7.789 ( -3.533 0.000 2.753) 4.479 7.866 ( -2.836 0.000 6.162) 6.783 8.125 ( 0.764 0.000 -0.180) 0.785 8.189 ( 0.422 0.000 1.743) 1.793 8.296 ( 0.527 0.000 -7.611) 7.629 8.407 ( 1.054 0.000 -4.688) 4.805 8.484 ( -33.926 0.000 4.956) 34.286 8.590 ( -0.767 0.000 3.749) 3.827 8.749 ( 1.624 0.000 -1.038) 1.927 8.777 ( 1.730 0.000 12.944) 13.059 9.044 ( -1.769 0.000 -0.737) 1.916 9.295 ( 26.543 0.000 0.473) 26.547 9.392 ( -1.285 0.000 0.470) 1.368 9.503 ( -2.480 0.000 -2.285) 3.372 9.607 ( 2.338 0.000 0.215) 2.348 9.620 ( 0.658 0.000 0.440) 0.792 9.725 ( 0.351 0.000 2.043) 2.073 9.839 ( -2.959 0.000 4.391) 5.295 10.019 ( 3.286 0.000 -4.473) 5.550 10.077 ( 2.946 0.000 -1.591) 3.348 ======================= Grid point 46 (17/55) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 7.239 0.000 15.856) 17.430 0.789 ( 10.014 0.000 20.161) 22.511 0.942 ( -13.870 0.000 4.189) 14.489 1.056 ( 7.032 0.000 13.100) 14.868 1.157 ( 1.384 0.000 -1.846) 2.308 1.205 ( -1.722 0.000 -2.557) 3.083 1.321 ( -12.631 0.000 21.495) 24.932 1.594 ( -11.935 0.000 9.016) 14.958 1.677 ( 12.028 0.000 1.837) 12.167 1.683 ( 2.348 0.000 1.529) 2.802 1.805 ( -2.172 0.000 2.521) 3.328 1.818 ( 0.871 0.000 0.598) 1.057 1.885 ( -1.244 0.000 8.090) 8.185 1.901 ( -3.790 0.000 -4.836) 6.144 1.984 ( -2.207 0.000 1.893) 2.908 2.025 ( 0.528 0.000 0.110) 0.540 2.080 ( -3.018 0.000 2.249) 3.764 2.124 ( -2.606 0.000 -5.220) 5.835 2.314 ( -0.481 0.000 6.950) 6.967 2.367 ( -10.348 0.000 -2.312) 10.603 2.406 ( 3.840 0.000 -0.518) 3.875 2.516 ( 4.432 0.000 -4.826) 6.553 2.585 ( -7.273 0.000 4.060) 8.330 2.690 ( -1.230 0.000 -5.689) 5.820 2.736 ( -14.289 0.000 -3.084) 14.618 2.807 ( 6.731 0.000 -9.506) 11.648 2.830 ( -12.353 0.000 6.727) 14.066 2.926 ( -0.284 0.000 -2.564) 2.580 3.086 ( 5.589 0.000 -1.697) 5.841 3.137 ( 4.937 0.000 4.392) 6.608 3.276 ( -0.599 0.000 2.872) 2.934 3.334 ( -5.637 0.000 -8.696) 10.363 3.445 ( -3.365 0.000 5.762) 6.672 3.446 ( 6.897 0.000 -0.329) 6.905 3.512 ( 3.851 0.000 7.911) 8.798 3.522 ( 4.857 0.000 0.730) 4.912 3.699 ( -4.024 0.000 14.171) 14.731 3.757 ( -0.639 0.000 -2.611) 2.688 3.852 ( 5.873 0.000 -2.292) 6.304 4.009 ( -2.636 0.000 0.218) 2.645 4.027 ( 1.137 0.000 -2.009) 2.309 4.101 ( 5.528 0.000 0.276) 5.535 4.122 ( 13.513 0.000 6.027) 14.796 4.225 ( -13.170 0.000 1.356) 13.239 4.385 ( 3.223 0.000 -1.054) 3.391 4.422 ( 11.885 0.000 6.933) 13.759 4.455 ( -1.465 0.000 1.083) 1.821 4.532 ( -3.813 0.000 0.364) 3.831 4.567 ( -6.033 0.000 0.781) 6.083 4.601 ( -9.748 0.000 2.943) 10.182 4.837 ( -10.184 0.000 -3.585) 10.797 4.904 ( -0.421 0.000 4.916) 4.934 5.083 ( -2.213 0.000 2.306) 3.196 5.204 ( -1.573 0.000 -0.132) 1.578 5.280 ( 1.574 0.000 -19.769) 19.831 5.359 ( 1.018 0.000 -2.380) 2.588 5.445 ( 0.044 0.000 -15.290) 15.290 5.464 ( 1.773 0.000 0.338) 1.805 5.527 ( 9.560 0.000 -20.612) 22.721 5.748 ( 3.209 0.000 -6.427) 7.184 5.775 ( 14.363 0.000 0.365) 14.367 5.949 ( 10.918 0.000 -11.249) 15.676 6.225 ( -8.443 0.000 -7.679) 11.413 6.294 ( 5.745 0.000 6.014) 8.317 6.761 ( -0.798 0.000 3.597) 3.685 6.807 ( 0.160 0.000 0.098) 0.188 6.890 ( -2.424 0.000 0.464) 2.468 6.914 ( -1.825 0.000 4.955) 5.281 6.926 ( 0.477 0.000 -0.612) 0.775 6.943 ( 0.726 0.000 2.272) 2.385 6.973 ( 2.974 0.000 -2.502) 3.886 6.992 ( 1.730 0.000 0.336) 1.762 7.028 ( 1.709 0.000 1.064) 2.013 7.078 ( 1.432 0.000 -0.412) 1.490 7.109 ( -0.129 0.000 0.136) 0.187 7.161 ( 1.416 0.000 1.888) 2.360 7.212 ( -2.873 0.000 3.805) 4.768 7.276 ( -0.979 0.000 1.907) 2.143 7.298 ( -0.551 0.000 0.051) 0.553 7.306 ( -1.787 0.000 2.629) 3.179 7.367 ( -2.745 0.000 4.190) 5.009 7.385 ( -1.197 0.000 2.290) 2.584 7.432 ( -3.631 0.000 3.483) 5.031 7.503 ( -0.348 0.000 2.923) 2.943 7.554 ( -4.153 0.000 0.512) 4.184 7.637 ( -0.426 0.000 8.924) 8.934 7.641 ( 3.470 0.000 2.653) 4.368 7.704 ( -0.455 0.000 1.777) 1.834 7.727 ( -3.371 0.000 1.914) 3.877 7.857 ( -2.658 0.000 5.642) 6.237 8.026 ( -9.350 0.000 -0.625) 9.371 8.199 ( -4.506 0.000 3.933) 5.981 8.302 ( -0.131 0.000 14.956) 14.957 8.310 ( 4.308 0.000 -5.693) 7.139 8.417 ( 3.009 0.000 -2.324) 3.802 8.600 ( -1.287 0.000 3.545) 3.772 8.768 ( 1.049 0.000 -1.077) 1.503 8.864 ( -3.410 0.000 9.984) 10.550 9.003 ( 0.095 0.000 -2.405) 2.406 9.355 ( -1.694 0.000 0.532) 1.776 9.460 ( -0.123 0.000 -2.402) 2.405 9.601 ( 11.496 0.000 -6.773) 13.342 9.629 ( 0.091 0.000 -0.061) 0.110 9.636 ( 0.686 0.000 -0.120) 0.696 9.759 ( 1.096 0.000 3.251) 3.431 9.806 ( -3.457 0.000 3.084) 4.633 10.040 ( 4.370 0.000 -9.584) 10.534 10.108 ( 1.347 0.000 -1.805) 2.252 ======================= Grid point 47 (18/55) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -16.536 0.000 8.852) 18.756 0.811 ( 8.972 0.000 10.006) 13.439 0.825 ( -20.031 0.000 11.700) 23.198 1.106 ( 6.326 0.000 1.136) 6.427 1.220 ( 3.901 0.000 -0.175) 3.905 1.285 ( 7.333 0.000 15.720) 17.346 1.364 ( -14.704 0.000 11.073) 18.407 1.467 ( -11.101 0.000 1.015) 11.147 1.650 ( -2.665 0.000 8.476) 8.886 1.703 ( -4.528 0.000 -8.429) 9.569 1.756 ( 0.738 0.000 2.291) 2.407 1.812 ( -5.544 0.000 -0.120) 5.545 1.878 ( -5.411 0.000 11.380) 12.601 1.906 ( 3.491 0.000 3.182) 4.724 2.012 ( 1.589 0.000 0.091) 1.592 2.030 ( -0.664 0.000 -1.266) 1.430 2.087 ( 1.969 0.000 -0.148) 1.974 2.110 ( 10.570 0.000 -1.528) 10.680 2.257 ( -0.827 0.000 0.581) 1.011 2.334 ( -4.536 0.000 9.016) 10.093 2.449 ( 0.486 0.000 -2.672) 2.716 2.529 ( -2.848 0.000 -0.177) 2.853 2.533 ( 0.979 0.000 -5.722) 5.805 2.640 ( 3.032 0.000 6.026) 6.745 2.656 ( 2.036 0.000 -5.811) 6.157 2.794 ( 5.573 0.000 12.405) 13.599 2.845 ( 4.733 0.000 -6.531) 8.066 2.911 ( 1.326 0.000 -4.134) 4.341 3.155 ( -2.573 0.000 -3.068) 4.004 3.207 ( -1.179 0.000 4.987) 5.125 3.229 ( 5.124 0.000 -6.424) 8.217 3.313 ( 1.356 0.000 5.220) 5.393 3.400 ( -5.160 0.000 3.351) 6.152 3.518 ( -1.699 0.000 -3.361) 3.766 3.525 ( 0.270 0.000 -0.454) 0.528 3.577 ( -4.213 0.000 7.519) 8.619 3.745 ( -7.431 0.000 12.507) 14.548 3.753 ( 2.154 0.000 -1.625) 2.698 3.876 ( -2.734 0.000 -5.829) 6.439 3.936 ( -0.179 0.000 -1.396) 1.408 4.062 ( 7.811 0.000 -0.125) 7.812 4.084 ( -2.509 0.000 6.443) 6.914 4.186 ( -1.390 0.000 -0.091) 1.393 4.259 ( -5.476 0.000 -3.861) 6.700 4.382 ( -6.059 0.000 3.081) 6.797 4.395 ( -1.498 0.000 1.026) 1.816 4.463 ( -12.027 0.000 -2.883) 12.367 4.485 ( 9.617 0.000 2.699) 9.989 4.579 ( 2.094 0.000 9.173) 9.409 4.654 ( -3.847 0.000 1.155) 4.016 4.751 ( 16.094 0.000 7.655) 17.822 4.918 ( -2.237 0.000 4.026) 4.606 4.986 ( -6.535 0.000 -3.430) 7.380 5.167 ( -2.169 0.000 -0.489) 2.223 5.255 ( 10.458 0.000 -17.629) 20.498 5.377 ( 3.000 0.000 -11.541) 11.924 5.392 ( 4.369 0.000 -4.495) 6.269 5.512 ( 0.710 0.000 1.264) 1.450 5.534 ( 8.257 0.000 -22.376) 23.851 5.747 ( 0.922 0.000 -4.828) 4.916 5.809 ( -6.897 0.000 -7.937) 10.515 6.001 ( 4.584 0.000 -14.450) 15.160 6.224 ( 10.377 0.000 3.986) 11.116 6.340 ( -4.554 0.000 3.803) 5.933 6.785 ( 0.320 0.000 3.608) 3.623 6.813 ( 0.601 0.000 0.675) 0.904 6.865 ( -1.840 0.000 0.758) 1.990 6.898 ( -3.785 0.000 5.566) 6.731 6.922 ( -0.601 0.000 -0.983) 1.152 6.969 ( 1.767 0.000 -1.606) 2.388 6.998 ( 1.713 0.000 -3.848) 4.212 7.041 ( 2.225 0.000 0.157) 2.230 7.048 ( -0.607 0.000 0.900) 1.086 7.122 ( 0.386 0.000 1.509) 1.557 7.128 ( 4.592 0.000 -1.706) 4.899 7.199 ( 1.436 0.000 4.854) 5.062 7.223 ( 1.962 0.000 3.365) 3.896 7.255 ( -4.824 0.000 5.785) 7.532 7.285 ( -2.298 0.000 1.850) 2.950 7.292 ( -0.134 0.000 0.159) 0.208 7.315 ( -5.342 0.000 4.864) 7.224 7.377 ( -1.099 0.000 1.033) 1.508 7.429 ( -0.425 0.000 4.691) 4.710 7.463 ( -3.943 0.000 -1.579) 4.248 7.517 ( -1.088 0.000 2.714) 2.924 7.664 ( -2.062 0.000 4.487) 4.938 7.673 ( -0.316 0.000 2.021) 2.045 7.733 ( 1.143 0.000 4.663) 4.801 7.781 ( 1.100 0.000 3.269) 3.449 7.856 ( -2.420 0.000 7.113) 7.513 7.888 ( -1.122 0.000 -0.444) 1.207 8.176 ( -1.089 0.000 3.488) 3.654 8.324 ( 1.866 0.000 -4.658) 5.018 8.435 ( 2.901 0.000 16.979) 17.225 8.466 ( 3.384 0.000 -2.382) 4.138 8.590 ( -2.365 0.000 3.310) 4.068 8.762 ( -0.338 0.000 -2.202) 2.228 8.791 ( -7.462 0.000 2.558) 7.889 9.021 ( 0.826 0.000 1.949) 2.117 9.350 ( 0.047 0.000 2.017) 2.018 9.480 ( 3.211 0.000 -0.316) 3.226 9.613 ( -1.188 0.000 -1.508) 1.920 9.627 ( -0.842 0.000 -5.681) 5.743 9.651 ( 0.635 0.000 -6.300) 6.332 9.756 ( -2.676 0.000 1.159) 2.917 9.811 ( 0.304 0.000 4.879) 4.889 10.027 ( 2.966 0.000 -12.505) 12.852 10.097 ( -0.399 0.000 -3.438) 3.461 ======================= Grid point 48 (19/55) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -16.290 0.000 13.996) 21.477 0.519 ( -23.468 0.000 11.008) 25.922 0.936 ( -29.926 0.000 24.737) 38.826 1.043 ( 9.290 0.000 7.098) 11.691 1.238 ( -2.635 0.000 1.732) 3.154 1.256 ( -1.863 0.000 1.243) 2.240 1.351 ( 4.976 0.000 -3.650) 6.171 1.563 ( 4.790 0.000 23.575) 24.057 1.647 ( -5.637 0.000 0.272) 5.643 1.654 ( -0.205 0.000 -5.282) 5.286 1.729 ( -0.787 0.000 3.180) 3.276 1.791 ( 1.854 0.000 0.548) 1.933 1.842 ( -4.424 0.000 2.645) 5.154 1.961 ( 0.801 0.000 3.502) 3.593 2.002 ( -2.721 0.000 0.974) 2.890 2.005 ( 1.074 0.000 -3.268) 3.440 2.078 ( -0.331 0.000 1.946) 1.974 2.264 ( 2.992 0.000 0.607) 3.053 2.278 ( -4.072 0.000 5.270) 6.660 2.424 ( -3.083 0.000 -2.951) 4.268 2.433 ( 14.228 0.000 -0.865) 14.255 2.487 ( 2.177 0.000 -3.218) 3.885 2.555 ( 4.711 0.000 5.320) 7.106 2.670 ( 4.259 0.000 -7.526) 8.647 2.793 ( 9.066 0.000 6.519) 11.167 2.841 ( -1.262 0.000 -7.579) 7.684 2.891 ( -0.152 0.000 -6.338) 6.339 3.046 ( 3.001 0.000 8.345) 8.868 3.147 ( 5.940 0.000 1.985) 6.263 3.181 ( -4.723 0.000 6.138) 7.745 3.239 ( 0.615 0.000 -11.629) 11.645 3.347 ( 3.601 0.000 1.413) 3.868 3.395 ( -6.093 0.000 -3.592) 7.073 3.404 ( 1.888 0.000 9.863) 10.042 3.510 ( -7.277 0.000 1.790) 7.494 3.591 ( 5.913 0.000 1.621) 6.131 3.592 ( -10.116 0.000 9.304) 13.744 3.717 ( -8.117 0.000 -3.755) 8.943 3.793 ( 0.432 0.000 -0.157) 0.460 3.978 ( -10.398 0.000 3.052) 10.837 4.027 ( -9.659 0.000 -0.799) 9.692 4.070 ( -3.258 0.000 8.722) 9.310 4.186 ( 2.547 0.000 6.936) 7.389 4.214 ( 9.568 0.000 -7.108) 11.919 4.231 ( -8.412 0.000 -2.033) 8.654 4.340 ( -5.113 0.000 0.856) 5.184 4.469 ( 3.566 0.000 3.789) 5.203 4.629 ( -0.727 0.000 0.426) 0.843 4.656 ( 2.153 0.000 5.506) 5.912 4.716 ( 8.635 0.000 6.941) 11.079 4.853 ( -6.407 0.000 0.913) 6.472 4.931 ( 2.502 0.000 1.554) 2.946 4.958 ( 3.978 0.000 -0.927) 4.085 5.131 ( 1.160 0.000 -5.306) 5.431 5.368 ( 6.274 0.000 -12.982) 14.419 5.385 ( 13.206 0.000 -18.410) 22.657 5.454 ( 6.586 0.000 -3.638) 7.524 5.475 ( -3.968 0.000 0.722) 4.033 5.554 ( 9.471 0.000 -9.907) 13.706 5.677 ( -4.535 0.000 -1.013) 4.647 5.703 ( -0.342 0.000 -8.806) 8.812 5.925 ( -1.150 0.000 -14.251) 14.297 6.216 ( -9.728 0.000 0.086) 9.728 6.387 ( 3.654 0.000 1.244) 3.860 6.802 ( -2.213 0.000 3.995) 4.567 6.828 ( -1.357 0.000 1.374) 1.931 6.854 ( 1.065 0.000 2.377) 2.605 6.867 ( -1.689 0.000 2.038) 2.647 6.908 ( -1.273 0.000 2.658) 2.947 6.973 ( -0.660 0.000 -3.205) 3.272 6.983 ( 0.879 0.000 -0.870) 1.237 7.049 ( -0.294 0.000 -0.358) 0.463 7.062 ( 0.587 0.000 -0.041) 0.588 7.121 ( -1.212 0.000 1.375) 1.833 7.130 ( -1.133 0.000 -3.828) 3.992 7.192 ( -4.367 0.000 -0.275) 4.376 7.250 ( -2.408 0.000 4.685) 5.267 7.267 ( -1.443 0.000 3.758) 4.026 7.289 ( 0.252 0.000 8.377) 8.381 7.292 ( -0.388 0.000 2.210) 2.244 7.324 ( 2.624 0.000 1.295) 2.926 7.372 ( -0.156 0.000 1.376) 1.385 7.411 ( 0.402 0.000 -1.939) 1.980 7.460 ( -0.029 0.000 4.322) 4.322 7.524 ( 0.220 0.000 2.168) 2.179 7.648 ( -3.179 0.000 4.447) 5.466 7.683 ( -6.645 0.000 3.151) 7.354 7.694 ( -0.822 0.000 2.552) 2.681 7.784 ( 0.683 0.000 3.913) 3.972 7.865 ( -2.533 0.000 7.607) 8.018 8.025 ( 9.794 0.000 -0.638) 9.815 8.188 ( -0.233 0.000 1.301) 1.321 8.324 ( 1.654 0.000 -4.436) 4.735 8.459 ( -1.127 0.000 -6.343) 6.442 8.582 ( -1.050 0.000 3.380) 3.539 8.688 ( 13.284 0.000 19.761) 23.811 8.714 ( -4.021 0.000 7.926) 8.888 8.744 ( 0.567 0.000 -1.539) 1.640 9.048 ( 0.452 0.000 2.168) 2.214 9.296 ( -17.220 0.000 -17.698) 24.694 9.422 ( -4.672 0.000 -9.124) 10.251 9.535 ( 1.285 0.000 1.858) 2.259 9.578 ( 0.095 0.000 -3.690) 3.691 9.622 ( -0.907 0.000 -0.581) 1.077 9.725 ( -1.499 0.000 1.045) 1.827 9.840 ( -1.037 0.000 5.197) 5.299 10.001 ( 2.348 0.000 -6.342) 6.762 10.066 ( 0.042 0.000 -3.061) 3.061 ======================= Grid point 49 (20/55) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 8.587 10.041 18.737) 22.927 0.743 ( -2.386 16.424 16.764) 23.590 1.053 ( -7.815 14.876 16.904) 23.835 1.175 ( -2.357 15.367 1.971) 15.672 1.340 ( -1.952 11.854 -0.420) 12.020 1.443 ( -0.341 16.202 1.211) 16.251 1.520 ( -9.394 7.383 5.819) 13.290 1.625 ( -0.234 7.389 1.214) 7.492 1.663 ( -1.988 1.035 10.210) 10.453 1.776 ( -1.071 6.506 3.934) 7.678 1.797 ( 3.741 6.840 0.772) 7.835 1.831 ( 1.910 5.682 -0.524) 6.018 1.931 ( 1.606 11.143 -0.612) 11.275 2.004 ( 0.002 2.725 -0.687) 2.810 2.074 ( -0.283 8.239 2.255) 8.547 2.104 ( -0.610 7.025 1.109) 7.139 2.126 ( -0.259 3.966 2.485) 4.687 2.232 ( -4.125 0.169 -4.193) 5.884 2.314 ( -0.714 4.448 3.417) 5.654 2.380 ( 1.016 -0.014 1.887) 2.143 2.533 ( 2.587 2.306 -4.807) 5.926 2.553 ( -5.171 -0.037 -3.410) 6.194 2.600 ( -0.221 -0.396 2.129) 2.177 2.672 ( -1.452 -4.081 -4.092) 5.959 2.736 ( 5.048 -0.960 -3.082) 5.992 2.862 ( 3.788 1.347 -2.268) 4.616 3.035 ( -7.148 5.206 2.692) 9.244 3.065 ( -5.373 -0.496 -1.350) 5.562 3.113 ( 2.970 9.567 6.731) 12.068 3.220 ( -5.330 7.777 -3.346) 10.005 3.372 ( -5.478 6.836 -1.590) 8.903 3.383 ( 0.419 5.245 -2.196) 5.702 3.461 ( -2.716 6.314 8.265) 10.750 3.502 ( 4.222 9.667 -0.872) 10.585 3.536 ( 0.433 6.021 5.597) 8.232 3.630 ( -6.505 7.810 -4.528) 11.127 3.673 ( 4.293 -1.137 9.710) 10.678 3.819 ( 9.803 5.071 7.934) 13.592 3.881 ( -3.641 11.231 3.373) 12.279 3.978 ( 0.135 8.318 -1.827) 8.518 4.022 ( 2.012 12.759 0.523) 12.927 4.139 ( -0.821 2.528 -3.294) 4.232 4.187 ( -3.566 3.060 0.973) 4.799 4.254 ( -0.196 6.744 5.769) 8.877 4.309 ( 3.012 5.159 -0.108) 5.975 4.377 ( 3.732 1.699 5.166) 6.595 4.486 ( -6.230 -3.009 2.045) 7.215 4.534 ( -0.581 0.513 -0.679) 1.031 4.636 ( -3.254 -2.162 1.496) 4.183 4.780 ( -6.336 2.625 2.745) 7.387 4.888 ( -2.883 -0.236 -0.856) 3.017 4.936 ( 3.598 3.929 6.396) 8.324 5.063 ( 1.900 4.422 -2.099) 5.251 5.222 ( 5.678 3.076 -2.358) 6.875 5.357 ( 2.363 0.547 -10.580) 10.854 5.405 ( -1.035 -0.561 -6.468) 6.574 5.473 ( 10.917 0.422 -19.768) 22.586 5.546 ( 2.658 0.618 -3.779) 4.661 5.557 ( -2.156 1.446 -2.557) 3.644 5.605 ( -1.026 0.814 -8.028) 8.134 5.743 ( 4.204 1.462 -7.004) 8.299 5.844 ( 6.349 -0.745 -8.596) 10.713 6.146 ( 3.495 0.192 1.556) 3.830 6.313 ( -3.711 -4.362 -2.242) 6.151 6.687 ( -2.957 -6.118 4.501) 8.150 6.752 ( 0.028 -6.868 4.292) 8.099 6.820 ( -2.160 -5.473 4.723) 7.545 6.876 ( -0.313 -6.839 2.867) 7.422 6.884 ( -0.700 -2.012 -0.648) 2.227 6.938 ( 2.028 -1.411 -2.654) 3.626 6.979 ( -4.555 -1.505 0.797) 4.863 7.005 ( -0.259 1.940 -0.616) 2.051 7.022 ( 0.834 -0.466 -0.665) 1.164 7.072 ( -2.744 0.264 -1.232) 3.019 7.087 ( -0.034 -1.561 0.633) 1.685 7.180 ( -0.523 2.700 -1.025) 2.935 7.209 ( -3.841 -1.830 5.855) 7.238 7.242 ( -1.332 -2.403 2.179) 3.506 7.298 ( -1.066 -0.026 1.886) 2.166 7.342 ( -1.798 0.772 5.534) 5.869 7.354 ( -0.595 0.679 3.055) 3.186 7.431 ( 0.680 3.705 0.432) 3.791 7.494 ( 3.058 1.607 5.698) 6.663 7.499 ( 0.379 3.889 2.332) 4.551 7.599 ( -2.290 4.666 1.387) 5.379 7.654 ( -2.520 4.946 6.762) 8.749 7.715 ( -0.224 4.743 4.382) 6.461 7.823 ( -0.819 11.078 0.859) 11.142 7.877 ( -1.945 9.038 2.142) 9.490 7.936 ( -1.946 7.049 5.159) 8.949 8.072 ( -0.761 -0.026 5.283) 5.337 8.207 ( 0.482 1.357 1.492) 2.074 8.308 ( 0.643 1.119 -6.190) 6.323 8.415 ( 0.537 0.772 -4.073) 4.180 8.561 ( -7.340 0.652 0.845) 7.417 8.612 ( -14.029 3.963 -1.451) 14.651 8.733 ( 0.809 -1.107 1.333) 1.912 8.768 ( 2.260 -0.788 9.514) 9.811 9.024 ( -0.323 -1.915 -0.232) 1.955 9.094 ( 15.550 -9.072 7.189) 19.385 9.401 ( -0.638 1.054 0.376) 1.288 9.499 ( -2.277 -0.481 -1.814) 2.950 9.616 ( 2.106 -0.436 1.177) 2.452 9.650 ( -1.008 2.772 -0.005) 2.950 9.766 ( 0.326 3.920 1.901) 4.368 9.963 ( -0.206 5.963 -1.314) 6.110 10.033 ( -0.171 1.502 -4.041) 4.315 10.065 ( 3.879 -0.522 -1.342) 4.138 ======================= Grid point 50 (21/55) ======================= q-point: ( 0.25 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 1.192 12.256 8.893) 15.190 0.906 ( 12.014 10.961 15.430) 22.418 1.121 ( 3.813 4.704 11.538) 13.030 1.168 ( -1.939 19.308 3.651) 19.746 1.291 ( -4.270 11.155 -0.470) 11.953 1.328 ( -5.460 12.726 -0.722) 13.867 1.398 ( -11.928 10.266 14.637) 21.493 1.675 ( -4.997 1.766 7.214) 8.952 1.710 ( 7.202 5.321 1.717) 9.118 1.788 ( 1.035 9.804 0.778) 9.889 1.824 ( -1.571 1.521 4.553) 5.050 1.883 ( 0.831 10.106 2.978) 10.569 1.948 ( -0.570 5.783 -1.584) 6.023 1.978 ( -0.042 8.567 -1.625) 8.720 2.067 ( -2.593 8.134 0.570) 8.556 2.081 ( -1.586 4.273 -0.836) 4.634 2.135 ( -0.542 5.162 2.466) 5.747 2.150 ( -2.032 3.286 -2.781) 4.761 2.328 ( -4.535 -0.010 0.124) 4.537 2.369 ( -3.837 -1.462 1.261) 4.296 2.402 ( -0.654 3.062 1.130) 3.328 2.558 ( 1.177 0.540 -1.796) 2.214 2.589 ( -2.084 2.264 1.993) 3.666 2.627 ( 0.348 -1.723 -5.095) 5.390 2.761 ( -9.742 3.648 -3.249) 10.898 2.765 ( -2.381 -0.324 1.288) 2.726 2.938 ( -5.134 5.883 2.943) 8.345 3.029 ( 3.511 8.596 -2.539) 9.626 3.127 ( -0.680 7.117 0.684) 7.182 3.259 ( 4.849 7.244 4.506) 9.812 3.307 ( -1.258 3.885 1.148) 4.242 3.398 ( -0.489 6.451 -5.522) 8.506 3.472 ( -2.952 4.334 5.698) 7.743 3.523 ( 1.431 6.493 1.046) 6.731 3.576 ( 3.595 5.830 6.333) 9.328 3.616 ( 2.868 8.473 0.018) 8.946 3.718 ( -2.144 1.184 7.344) 7.741 3.901 ( 1.743 9.951 0.549) 10.118 3.957 ( 1.513 11.723 -1.985) 11.986 4.052 ( 1.510 2.481 -1.660) 3.345 4.068 ( 1.407 5.202 -0.453) 5.407 4.147 ( 3.319 2.037 0.460) 3.921 4.193 ( 4.808 3.969 0.931) 6.304 4.259 ( -3.512 10.325 5.943) 12.420 4.354 ( -0.314 -1.217 -0.213) 1.275 4.414 ( 4.285 -1.768 5.465) 7.166 4.445 ( 1.216 2.209 2.058) 3.255 4.540 ( -6.797 -0.663 4.482) 8.169 4.546 ( -0.186 0.518 -2.174) 2.243 4.672 ( -5.248 6.843 1.254) 8.715 4.818 ( -7.024 -0.629 -1.710) 7.256 4.982 ( -1.956 5.664 4.881) 7.729 5.028 ( -6.285 -2.214 0.859) 6.718 5.247 ( -0.710 4.085 -0.975) 4.259 5.310 ( 3.311 2.974 -18.284) 18.818 5.354 ( 0.690 -0.776 0.855) 1.346 5.443 ( 1.014 0.804 -16.571) 16.621 5.490 ( -1.059 2.473 0.058) 2.690 5.541 ( 8.968 1.159 -19.466) 21.464 5.735 ( 11.873 -3.006 -0.725) 12.269 5.754 ( 3.171 0.644 -5.852) 6.687 5.958 ( 10.955 0.885 -9.829) 14.745 6.188 ( -5.941 -2.829 -5.501) 8.576 6.284 ( 5.875 -0.978 4.761) 7.625 6.682 ( -1.444 -5.857 5.106) 7.904 6.783 ( 0.492 -6.775 3.493) 7.638 6.804 ( -3.437 -6.999 4.554) 9.030 6.874 ( -1.604 -2.787 0.962) 3.357 6.892 ( 0.013 -4.032 0.783) 4.107 6.912 ( -0.518 -3.147 1.117) 3.380 6.957 ( 1.784 0.709 -1.022) 2.175 7.008 ( 0.044 -1.745 -2.260) 2.856 7.012 ( 0.375 0.142 -2.213) 2.249 7.053 ( 1.730 -1.199 -0.708) 2.220 7.104 ( 0.533 -0.613 3.314) 3.412 7.181 ( -2.077 -0.576 5.016) 5.460 7.203 ( 0.603 1.866 1.711) 2.602 7.245 ( -0.760 -2.567 2.843) 3.905 7.278 ( -2.148 -0.295 0.974) 2.377 7.331 ( -1.571 1.240 2.052) 2.867 7.370 ( -2.100 0.368 5.251) 5.668 7.437 ( -0.555 4.150 0.438) 4.209 7.491 ( -1.355 4.381 2.710) 5.327 7.554 ( -2.474 1.860 2.023) 3.698 7.587 ( 1.856 4.769 0.655) 5.159 7.687 ( 0.079 4.595 6.484) 7.947 7.746 ( -1.079 5.063 4.142) 6.630 7.810 ( 0.312 9.796 2.469) 10.107 7.847 ( -1.816 12.095 1.045) 12.275 7.934 ( -2.046 7.901 4.453) 9.297 8.051 ( -6.279 3.167 1.317) 7.155 8.215 ( -3.835 1.507 1.799) 4.496 8.282 ( 1.701 1.178 -1.592) 2.611 8.372 ( -2.021 2.933 3.948) 5.317 8.433 ( 2.277 1.817 -1.322) 3.199 8.588 ( -1.483 -0.974 3.627) 4.037 8.756 ( 1.135 -1.164 -0.626) 1.742 8.847 ( -3.060 -1.500 8.452) 9.113 8.993 ( 0.716 -0.855 -2.341) 2.593 9.342 ( 5.678 -7.978 -1.412) 9.893 9.387 ( 1.285 -3.194 1.693) 3.837 9.484 ( 2.330 1.491 -0.802) 2.880 9.624 ( -1.699 -1.511 -0.253) 2.288 9.650 ( 0.266 -0.284 1.829) 1.870 9.789 ( 0.215 3.207 2.366) 3.991 9.942 ( -0.441 7.118 -2.442) 7.539 10.005 ( 0.696 -0.857 -5.366) 5.479 10.102 ( 1.412 -0.321 -1.475) 2.067 ======================= Grid point 51 (22/55) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -10.717 9.212 6.056) 15.375 1.004 ( -12.348 12.551 8.303) 19.467 1.103 ( -5.760 15.617 1.006) 16.675 1.213 ( 5.261 9.388 6.297) 12.469 1.291 ( 6.482 10.973 5.975) 14.076 1.368 ( 4.544 7.580 8.119) 12.001 1.422 ( -6.951 7.792 7.919) 13.105 1.616 ( -1.107 2.863 7.153) 7.783 1.693 ( -8.484 15.571 1.611) 17.805 1.765 ( -4.987 4.013 -5.976) 8.757 1.852 ( 1.039 10.289 2.379) 10.611 1.867 ( -4.908 4.455 2.754) 7.178 1.921 ( -1.474 6.312 4.175) 7.710 1.992 ( 1.024 5.408 -0.777) 5.559 2.049 ( 2.006 5.313 0.446) 5.696 2.088 ( 0.954 5.209 0.599) 5.329 2.143 ( -0.462 5.973 0.056) 5.991 2.151 ( 8.560 3.741 -0.971) 9.392 2.261 ( -2.109 2.157 2.344) 3.820 2.334 ( -1.845 -3.276 1.303) 3.979 2.431 ( -0.790 2.399 -0.106) 2.528 2.543 ( -2.206 3.149 1.528) 4.137 2.572 ( -0.955 -4.562 -2.569) 5.323 2.607 ( 3.893 3.075 -1.398) 5.154 2.669 ( 1.414 1.277 -0.527) 1.977 2.828 ( 5.474 6.894 10.090) 13.390 2.929 ( 1.827 3.899 1.373) 4.519 3.036 ( 0.791 14.560 -2.794) 14.846 3.158 ( 0.688 2.779 0.474) 2.902 3.274 ( -2.390 5.506 -1.952) 6.311 3.318 ( -0.816 1.571 -0.204) 1.782 3.359 ( 0.889 8.511 0.394) 8.566 3.461 ( -1.638 6.468 6.122) 9.055 3.581 ( 0.965 5.475 3.838) 6.755 3.600 ( -4.196 7.202 -1.690) 8.505 3.632 ( -2.372 5.110 2.341) 6.101 3.773 ( -2.155 1.926 8.718) 9.184 3.932 ( -5.590 6.514 -2.630) 8.978 3.933 ( 2.161 8.289 -1.260) 8.658 3.995 ( 1.628 8.685 1.125) 8.908 4.057 ( 3.898 4.185 -1.061) 5.817 4.195 ( 0.205 4.531 -1.548) 4.793 4.229 ( -0.034 3.866 -1.156) 4.035 4.279 ( -5.201 7.887 2.024) 9.662 4.323 ( -7.136 -2.572 2.196) 7.897 4.403 ( -1.071 0.190 1.474) 1.832 4.460 ( 0.353 0.358 2.253) 2.309 4.537 ( -1.237 4.531 -0.896) 4.781 4.590 ( 1.920 0.542 6.038) 6.359 4.637 ( -2.743 -0.938 1.056) 3.085 4.775 ( 8.392 3.475 4.708) 10.231 4.947 ( -1.163 -0.984 1.202) 1.940 4.974 ( -2.096 5.138 3.872) 6.766 5.225 ( -1.525 5.348 -1.145) 5.678 5.288 ( 8.252 2.509 -16.975) 19.041 5.359 ( 2.408 -1.068 -6.506) 7.019 5.406 ( 5.061 1.350 -10.244) 11.505 5.496 ( 0.929 0.422 -1.595) 1.894 5.562 ( 7.254 1.661 -16.847) 18.418 5.746 ( 0.503 -0.160 -5.338) 5.364 5.776 ( -4.697 -2.320 -5.672) 7.721 6.003 ( 4.392 0.198 -14.737) 15.379 6.207 ( 8.132 -1.482 3.645) 9.034 6.332 ( -3.932 -0.940 2.789) 4.912 6.701 ( -0.566 -6.137 5.268) 8.108 6.764 ( -4.400 -7.029 4.384) 9.380 6.818 ( 1.237 -6.018 1.936) 6.441 6.839 ( -3.018 -3.480 3.232) 5.627 6.906 ( 0.885 -4.226 -0.259) 4.326 6.940 ( 1.089 -6.090 0.769) 6.235 6.956 ( -1.131 -0.894 0.347) 1.483 7.004 ( 2.476 1.133 -3.368) 4.331 7.017 ( 0.701 -2.400 -0.816) 2.630 7.083 ( 2.010 -1.065 -1.606) 2.785 7.162 ( 1.269 -1.001 7.089) 7.271 7.194 ( -2.099 1.023 3.295) 4.038 7.209 ( 0.301 -0.210 3.842) 3.860 7.241 ( -0.648 -0.335 1.178) 1.386 7.272 ( -0.030 -0.301 2.357) 2.376 7.324 ( -0.419 1.179 1.314) 1.814 7.343 ( -4.308 1.586 4.828) 6.662 7.429 ( -0.362 4.034 -0.118) 4.052 7.485 ( -1.848 4.342 1.953) 5.107 7.512 ( -3.442 2.793 1.243) 4.603 7.601 ( -0.210 5.187 0.681) 5.235 7.708 ( -2.401 4.495 4.039) 6.503 7.754 ( 0.006 4.723 6.538) 8.066 7.834 ( -0.279 13.047 1.017) 13.090 7.869 ( -6.930 6.432 2.734) 9.842 7.910 ( 3.079 3.533 -0.088) 4.687 7.943 ( -1.598 9.361 3.163) 10.010 8.192 ( -0.363 1.607 2.834) 3.278 8.318 ( 2.195 0.024 -2.993) 3.712 8.440 ( 4.261 0.777 9.333) 10.289 8.477 ( 2.010 0.598 1.112) 2.374 8.579 ( -2.208 -0.872 3.784) 4.467 8.753 ( -0.551 -0.904 -1.760) 2.054 8.779 ( -6.542 -0.959 1.723) 6.833 9.011 ( 0.669 -0.758 1.229) 1.591 9.364 ( 1.498 -1.927 -0.181) 2.448 9.400 ( -3.691 -8.093 -3.238) 9.466 9.510 ( -0.187 1.745 -1.003) 2.021 9.595 ( -0.317 -4.117 -0.592) 4.171 9.657 ( -0.430 0.303 1.030) 1.157 9.792 ( -1.520 2.969 1.449) 3.636 9.932 ( 1.672 6.933 -2.386) 7.520 9.989 ( 1.799 -0.763 -5.294) 5.643 10.097 ( -0.242 0.244 -2.467) 2.491 ======================= Grid point 52 (23/55) ======================= q-point: (-0.25 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -19.553 9.386 8.068) 23.141 0.774 ( -13.210 16.322 9.987) 23.252 1.106 ( -5.192 5.825 10.330) 12.946 1.225 ( -10.655 22.258 9.079) 26.294 1.336 ( 2.999 7.853 1.680) 8.572 1.395 ( 2.181 15.304 1.990) 15.586 1.545 ( 3.026 3.976 14.098) 14.957 1.587 ( -3.018 15.677 3.912) 16.438 1.679 ( 2.410 2.818 -4.104) 5.531 1.744 ( -2.464 6.940 1.361) 7.489 1.775 ( 0.230 4.348 -0.542) 4.387 1.861 ( -3.043 10.052 2.379) 10.769 1.909 ( -0.563 7.542 1.756) 7.765 1.998 ( 0.027 2.085 -0.168) 2.092 2.056 ( 1.289 5.873 -1.165) 6.125 2.095 ( -0.491 7.027 2.287) 7.406 2.121 ( -1.016 5.300 1.150) 5.518 2.264 ( 1.014 1.033 1.158) 1.854 2.321 ( -0.643 1.815 1.175) 2.256 2.376 ( -1.909 -0.290 0.029) 1.931 2.436 ( 15.661 0.432 1.348) 15.725 2.542 ( 0.730 2.663 -2.185) 3.521 2.565 ( 1.392 -0.918 0.936) 1.912 2.648 ( 2.856 1.705 -1.923) 3.842 2.717 ( 2.635 -3.183 -2.614) 4.890 2.902 ( -3.743 4.217 -3.381) 6.574 2.989 ( 3.593 6.937 4.116) 8.830 3.112 ( 1.932 6.854 5.409) 8.943 3.149 ( -3.379 1.893 -0.444) 3.898 3.286 ( 8.478 9.293 0.315) 12.583 3.325 ( -1.047 5.615 0.987) 5.797 3.347 ( 3.423 2.676 2.842) 5.192 3.471 ( -5.720 5.273 1.529) 7.929 3.494 ( -2.732 7.012 3.747) 8.407 3.569 ( -5.560 5.895 0.230) 8.106 3.644 ( -1.172 5.358 4.565) 7.136 3.669 ( -4.942 8.404 3.023) 10.207 3.784 ( -7.328 6.505 -1.901) 9.981 3.998 ( -0.275 15.922 1.519) 15.997 4.031 ( -8.527 5.901 -0.723) 10.394 4.047 ( -5.501 4.303 -0.181) 6.987 4.156 ( 1.923 2.642 -2.482) 4.103 4.175 ( 2.521 -0.847 6.222) 6.767 4.250 ( -3.354 2.628 1.221) 4.432 4.267 ( 1.471 11.145 -0.337) 11.247 4.379 ( -6.050 4.089 -1.389) 7.434 4.458 ( 3.775 -0.843 4.741) 6.119 4.529 ( -1.215 -6.029 6.245) 8.765 4.654 ( -0.417 0.423 1.913) 2.003 4.763 ( 11.602 3.520 3.450) 12.605 4.833 ( -0.864 -2.330 0.788) 2.607 4.942 ( -3.772 5.194 4.754) 7.988 5.031 ( 4.050 4.742 -2.088) 6.576 5.178 ( 0.954 4.067 -6.725) 7.917 5.361 ( 5.373 -0.976 -6.262) 8.309 5.397 ( 12.464 0.964 -18.538) 22.359 5.421 ( 2.562 0.347 -6.518) 7.012 5.535 ( 3.739 2.835 3.121) 5.635 5.562 ( 7.411 1.392 -14.352) 16.212 5.651 ( -4.887 -2.252 -1.218) 5.517 5.712 ( 0.191 1.024 -7.772) 7.841 5.928 ( -1.201 0.230 -14.385) 14.437 6.210 ( -8.840 -0.549 -0.349) 8.864 6.335 ( 2.058 -4.154 2.189) 5.126 6.719 ( -4.157 -6.750 4.201) 8.972 6.727 ( -0.534 -6.569 4.982) 8.262 6.822 ( -1.943 -3.880 4.187) 6.030 6.852 ( 0.731 -6.303 2.939) 6.993 6.906 ( -1.044 -3.837 0.264) 3.985 6.931 ( 0.859 -0.826 -3.022) 3.249 6.986 ( 1.794 -4.671 2.525) 5.605 7.010 ( 0.312 2.658 -1.593) 3.114 7.019 ( -0.319 -1.861 -0.803) 2.052 7.088 ( 0.143 -1.113 -1.584) 1.941 7.141 ( -3.899 0.672 0.346) 3.972 7.206 ( -1.914 -1.744 5.830) 6.379 7.232 ( -0.762 -0.029 -0.457) 0.889 7.262 ( -2.718 -0.280 2.936) 4.010 7.285 ( 1.498 0.040 4.997) 5.217 7.309 ( -1.359 0.760 3.522) 3.851 7.371 ( 1.242 2.642 5.209) 5.972 7.418 ( -3.215 1.899 -0.302) 3.746 7.425 ( -0.163 3.626 -0.425) 3.655 7.499 ( -1.283 3.197 3.721) 5.071 7.604 ( -0.101 5.455 1.043) 5.555 7.696 ( -3.276 4.791 5.177) 7.777 7.717 ( -6.894 2.658 4.940) 8.888 7.812 ( 0.866 10.821 1.967) 11.032 7.865 ( 1.297 9.327 2.024) 9.632 7.935 ( -2.298 7.265 5.909) 9.642 8.015 ( 4.802 1.595 1.287) 5.221 8.202 ( -0.446 1.370 1.006) 1.757 8.329 ( 1.635 0.543 -3.655) 4.041 8.460 ( -1.446 0.066 -4.850) 5.061 8.567 ( -0.750 -1.183 3.930) 4.172 8.669 ( 8.950 -1.216 10.452) 13.814 8.707 ( -1.852 -0.600 8.553) 8.771 8.738 ( 0.722 -0.509 -0.662) 1.104 9.025 ( -1.587 -2.104 0.413) 2.668 9.126 ( -18.492 -7.503 -9.649) 22.167 9.398 ( 0.571 0.869 0.851) 1.344 9.526 ( 0.752 -0.859 1.273) 1.710 9.584 ( 0.241 -0.850 -1.487) 1.730 9.659 ( 0.148 3.085 -0.088) 3.090 9.767 ( -1.698 4.015 1.028) 4.479 9.959 ( 1.727 6.119 -0.901) 6.422 10.004 ( 3.718 0.154 -3.001) 4.780 10.068 ( -0.668 0.952 -3.378) 3.572 ======================= Grid point 53 (24/55) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 6.040 13.640 10.987) 18.527 1.009 ( -1.012 9.343 5.136) 10.710 1.163 ( -4.485 7.083 11.094) 13.906 1.521 ( -0.900 7.999 1.754) 8.238 1.617 ( -2.588 13.934 0.055) 14.173 1.657 ( -5.763 7.495 2.060) 9.676 1.723 ( 4.294 7.732 -1.828) 9.031 1.740 ( -8.079 7.368 7.073) 13.023 1.839 ( 1.388 7.299 5.388) 9.178 1.855 ( -0.802 11.987 2.029) 12.184 1.970 ( -2.397 6.961 -1.826) 7.585 2.049 ( 2.381 11.472 1.195) 11.777 2.089 ( 1.396 10.200 -3.122) 10.758 2.158 ( 1.587 5.549 1.061) 5.868 2.207 ( 1.665 5.074 2.322) 5.823 2.242 ( -3.459 3.391 -2.325) 5.373 2.276 ( -0.857 10.621 2.436) 10.930 2.304 ( 0.151 9.482 1.426) 9.590 2.376 ( 1.179 2.115 -0.508) 2.474 2.444 ( -1.850 5.129 -0.580) 5.483 2.536 ( -1.642 0.643 -4.272) 4.622 2.585 ( 0.867 4.793 -4.120) 6.379 2.646 ( 3.214 4.964 -1.662) 6.143 2.717 ( -2.136 5.544 -0.987) 6.023 2.753 ( 2.483 3.429 7.305) 8.444 2.894 ( 2.753 1.806 0.193) 3.298 3.030 ( -2.223 -1.232 -2.868) 3.832 3.131 ( -8.621 3.082 4.695) 10.289 3.297 ( -3.870 7.172 5.812) 10.009 3.372 ( -1.493 6.020 3.551) 7.147 3.457 ( -2.661 5.073 1.554) 5.936 3.560 ( 5.111 5.117 2.566) 7.674 3.610 ( -7.090 6.193 8.236) 12.508 3.654 ( -0.647 9.304 3.198) 9.860 3.704 ( -0.355 6.498 4.722) 8.041 3.830 ( 3.297 21.626 -2.216) 21.988 3.860 ( -5.982 12.508 -3.186) 14.226 3.937 ( 7.188 6.437 5.433) 11.073 4.053 ( 1.838 0.084 -6.220) 6.487 4.069 ( 3.161 2.966 3.973) 5.880 4.185 ( -3.087 3.119 2.522) 5.062 4.249 ( -2.081 16.708 3.773) 17.254 4.315 ( -1.683 1.739 0.223) 2.430 4.427 ( -5.852 -2.363 2.024) 6.627 4.436 ( 0.828 9.633 -3.200) 10.185 4.501 ( 1.670 12.224 3.853) 12.925 4.517 ( 0.789 10.768 -0.093) 10.798 4.658 ( -0.031 4.852 -3.288) 5.861 4.720 ( -0.096 24.020 0.097) 24.021 4.784 ( 3.137 -1.514 1.820) 3.930 4.949 ( -4.737 8.236 -2.579) 9.845 5.110 ( -1.030 11.730 3.612) 12.317 5.165 ( 1.441 5.985 -2.735) 6.736 5.254 ( 3.843 0.060 -2.479) 4.573 5.425 ( 1.544 7.231 -1.851) 7.623 5.439 ( 1.354 3.477 -12.640) 13.179 5.501 ( 10.754 0.647 -12.641) 16.609 5.506 ( 4.444 0.846 -9.242) 10.290 5.631 ( -4.386 2.189 -3.668) 6.122 5.634 ( -1.650 3.290 -5.011) 6.218 5.780 ( 4.526 1.932 -3.238) 5.891 5.843 ( 7.418 1.396 -8.064) 11.046 6.161 ( 2.431 1.618 -1.102) 3.121 6.236 ( -2.496 -2.821 -3.017) 4.826 6.544 ( -3.432 -8.094 6.913) 11.184 6.598 ( -2.325 -8.321 6.688) 10.926 6.665 ( -2.787 -10.084 6.519) 12.327 6.703 ( -0.922 -9.084 2.868) 9.570 6.811 ( 0.314 -5.684 -0.582) 5.722 6.886 ( 1.387 -5.158 -2.880) 6.068 6.920 ( 2.458 -2.638 -3.343) 4.918 6.994 ( 0.560 -2.544 -3.714) 4.537 7.050 ( -6.020 -1.792 1.589) 6.479 7.064 ( 0.695 -0.373 -0.453) 0.909 7.082 ( -1.833 3.354 0.964) 3.942 7.176 ( -2.024 -2.708 2.029) 3.943 7.206 ( 0.275 1.371 2.010) 2.448 7.234 ( -3.732 1.327 1.999) 4.437 7.290 ( -1.476 -1.074 2.370) 2.991 7.334 ( -1.151 -0.686 7.132) 7.257 7.381 ( -1.341 1.382 2.791) 3.391 7.474 ( 0.830 0.599 1.915) 2.171 7.531 ( 3.087 1.724 4.434) 5.671 7.565 ( 1.271 2.289 1.093) 2.837 7.667 ( -2.770 2.033 3.155) 4.664 7.744 ( -0.999 3.483 3.568) 5.085 7.792 ( -1.343 2.865 7.957) 8.563 8.018 ( -4.695 4.058 1.799) 6.461 8.083 ( 2.035 8.933 4.146) 10.056 8.144 ( -0.595 14.855 -2.906) 15.148 8.225 ( -0.084 9.493 3.000) 9.956 8.254 ( -0.069 7.774 1.030) 7.842 8.336 ( 0.865 1.719 -3.005) 3.568 8.438 ( -0.064 2.053 -1.309) 2.436 8.553 ( -1.671 -0.143 2.444) 2.964 8.653 ( -5.134 -0.046 -1.545) 5.362 8.751 ( -3.144 3.651 2.593) 5.471 8.757 ( 1.469 0.594 3.773) 4.093 8.985 ( 5.739 -1.119 3.076) 6.607 8.994 ( 2.354 -2.838 -0.718) 3.757 9.424 ( 0.403 1.209 0.137) 1.281 9.487 ( -1.798 -0.646 -1.117) 2.213 9.605 ( 1.183 -0.233 1.520) 1.941 9.714 ( -2.687 3.135 -1.578) 4.420 9.868 ( 0.166 6.020 1.844) 6.298 10.032 ( 1.027 0.738 -0.567) 1.386 10.059 ( 0.008 3.170 -0.560) 3.219 10.109 ( 1.191 3.915 -2.820) 4.970 ======================= Grid point 54 (25/55) ======================= q-point: ( 0.25 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 0.827 5.373 0.813) 5.497 1.104 ( 15.082 7.946 6.839) 18.368 1.220 ( 0.136 8.362 14.620) 16.843 1.447 ( -10.889 8.952 5.691) 15.202 1.513 ( -6.130 8.512 -1.428) 10.587 1.550 ( -8.248 9.956 4.764) 13.778 1.722 ( -2.270 11.396 1.412) 11.705 1.766 ( 0.927 10.875 -1.375) 11.000 1.833 ( 3.865 8.089 1.908) 9.165 1.889 ( 0.895 5.493 5.405) 7.758 1.986 ( -0.659 6.335 -0.334) 6.378 2.069 ( -1.464 9.575 -0.061) 9.687 2.100 ( 1.664 9.799 -0.527) 9.953 2.143 ( -2.705 3.110 0.493) 4.151 2.164 ( -1.207 3.481 1.300) 3.907 2.228 ( -0.733 6.826 -2.279) 7.233 2.281 ( -1.985 7.494 -0.368) 7.761 2.296 ( 0.096 10.251 1.464) 10.356 2.368 ( -2.127 5.324 0.343) 5.744 2.393 ( -2.520 9.209 2.189) 9.795 2.485 ( -0.347 1.360 -1.436) 2.008 2.563 ( 1.033 4.955 -3.926) 6.406 2.675 ( -1.587 4.140 -2.301) 4.995 2.708 ( 3.055 8.446 -0.592) 9.001 2.809 ( -7.728 5.316 1.248) 9.462 2.872 ( 0.974 5.826 5.676) 8.192 3.015 ( -6.785 2.842 5.037) 8.915 3.068 ( 6.159 -0.618 0.067) 6.190 3.337 ( -0.515 5.325 5.621) 7.760 3.348 ( 2.764 5.074 -2.985) 6.503 3.474 ( 0.375 5.590 4.838) 7.402 3.576 ( -1.516 6.313 4.130) 7.695 3.603 ( -1.877 12.865 5.340) 14.055 3.690 ( 2.484 5.963 4.872) 8.091 3.745 ( -3.501 12.092 -0.042) 12.588 3.756 ( -0.076 7.204 2.001) 7.477 3.850 ( 1.112 16.646 -1.073) 16.718 4.018 ( -3.776 -3.254 0.254) 4.991 4.053 ( -3.745 4.265 -1.263) 5.815 4.159 ( 4.937 2.416 0.489) 5.518 4.166 ( 0.511 1.380 1.362) 2.005 4.243 ( 0.602 16.947 0.343) 16.961 4.294 ( -3.986 -0.472 2.733) 4.856 4.380 ( 6.720 -0.048 4.737) 8.222 4.405 ( -2.076 3.322 -0.515) 3.951 4.526 ( 0.214 15.498 1.816) 15.606 4.572 ( 2.544 6.159 -0.872) 6.720 4.625 ( -0.550 10.993 -2.270) 11.239 4.715 ( -0.261 23.427 -0.111) 23.428 4.791 ( -7.483 0.378 -0.118) 7.493 4.889 ( 3.750 12.730 -1.366) 13.341 5.028 ( -8.867 3.897 -1.131) 9.752 5.156 ( -2.635 10.235 3.987) 11.296 5.297 ( 1.201 0.722 0.278) 1.428 5.375 ( 4.580 4.245 -19.691) 20.658 5.438 ( -0.711 9.251 1.445) 9.390 5.469 ( 1.846 2.369 -13.084) 13.424 5.559 ( -1.436 3.656 0.289) 3.939 5.574 ( 7.705 2.346 -15.577) 17.536 5.687 ( 10.397 -0.813 -3.904) 11.136 5.779 ( 1.197 1.861 -4.893) 5.370 5.989 ( 10.119 2.474 -7.523) 12.850 6.141 ( -2.214 -1.427 -4.763) 5.442 6.260 ( 5.386 -1.258 1.318) 5.686 6.542 ( -2.533 -8.259 7.490) 11.434 6.607 ( -1.518 -10.054 5.889) 11.750 6.645 ( -4.203 -8.933 6.146) 11.629 6.718 ( -0.465 -8.981 4.046) 9.861 6.813 ( 0.350 -5.284 -0.529) 5.322 6.875 ( -1.744 -4.086 0.103) 4.443 6.924 ( -1.660 -2.691 -0.851) 3.274 6.968 ( -0.503 -4.288 -3.901) 5.819 6.992 ( 3.397 -0.736 -4.069) 5.352 7.047 ( 0.102 1.273 -1.650) 2.087 7.110 ( 1.368 0.694 3.892) 4.184 7.178 ( -1.153 -1.145 5.525) 5.759 7.190 ( -2.122 -1.505 4.030) 4.797 7.237 ( 1.156 1.423 0.726) 1.972 7.276 ( -2.251 -0.657 1.683) 2.886 7.358 ( -0.854 0.896 3.516) 3.728 7.374 ( -1.941 0.754 3.249) 3.859 7.493 ( -0.183 0.946 0.532) 1.101 7.548 ( -0.854 1.757 2.643) 3.286 7.599 ( -1.883 2.165 2.023) 3.511 7.657 ( 0.571 2.609 1.038) 2.865 7.776 ( 1.401 3.626 4.196) 5.721 7.831 ( -2.265 2.213 7.487) 8.129 7.958 ( -2.249 4.226 4.395) 6.499 8.106 ( -3.976 6.627 3.784) 8.606 8.126 ( 0.257 13.664 -1.345) 13.732 8.230 ( -0.648 13.425 1.502) 13.524 8.250 ( -1.818 4.003 0.324) 4.408 8.337 ( 1.597 2.678 -3.432) 4.637 8.427 ( 0.259 3.689 -0.004) 3.698 8.500 ( -2.653 4.655 -0.092) 5.358 8.585 ( -2.408 2.287 3.770) 5.024 8.735 ( 0.594 -0.270 -0.001) 0.653 8.817 ( -2.658 -1.284 5.115) 5.906 8.978 ( 2.264 -0.413 -1.596) 2.801 9.173 ( 8.032 -6.094 0.593) 10.100 9.397 ( -2.264 0.934 -0.575) 2.516 9.488 ( 1.560 -1.779 0.540) 2.427 9.620 ( -1.585 1.403 1.188) 2.427 9.649 ( -2.068 1.145 -0.807) 2.498 9.881 ( -0.398 5.691 1.871) 6.003 10.031 ( 0.322 3.855 -1.698) 4.225 10.045 ( -0.582 2.220 -1.666) 2.836 10.120 ( 1.370 2.773 -1.523) 3.448 ======================= Grid point 55 (26/55) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -2.713 5.701 -0.832) 6.369 1.172 ( -12.713 6.037 0.728) 14.092 1.291 ( -5.489 8.647 4.065) 11.020 1.424 ( 0.157 10.576 10.815) 15.127 1.459 ( 8.385 5.194 6.342) 11.726 1.521 ( -0.326 8.284 6.693) 10.655 1.706 ( 0.470 12.195 -1.232) 12.266 1.781 ( 2.301 12.236 0.575) 12.464 1.836 ( -4.128 4.575 -2.608) 6.691 1.911 ( -5.130 5.954 8.258) 11.400 2.001 ( 4.144 6.232 0.568) 7.505 2.065 ( -0.423 11.005 1.034) 11.062 2.103 ( 0.442 6.151 0.062) 6.168 2.124 ( -2.949 7.803 -2.456) 8.696 2.170 ( -0.225 6.296 1.651) 6.513 2.208 ( 2.338 8.021 -0.936) 8.407 2.266 ( 1.879 8.273 0.236) 8.487 2.276 ( -0.581 0.384 0.425) 0.816 2.334 ( -3.516 12.126 2.049) 12.790 2.404 ( 0.776 10.442 1.744) 10.615 2.499 ( 0.319 1.323 -2.791) 3.105 2.543 ( -0.462 4.804 -4.448) 6.563 2.643 ( 1.703 5.809 -0.174) 6.056 2.692 ( -0.634 5.768 3.312) 6.682 2.727 ( -2.144 5.726 -2.475) 6.597 2.984 ( -0.365 5.847 11.202) 12.641 3.004 ( 4.149 4.788 7.649) 9.932 3.126 ( -0.395 0.475 -1.772) 1.877 3.332 ( -2.663 1.263 -0.224) 2.955 3.361 ( 1.341 4.654 -1.256) 5.003 3.512 ( -1.719 17.308 3.561) 17.754 3.551 ( -4.381 6.639 2.735) 8.411 3.610 ( -2.162 9.368 8.219) 12.649 3.706 ( 0.122 3.445 -0.500) 3.483 3.757 ( 0.680 11.608 3.110) 12.036 3.772 ( -4.253 9.215 1.556) 10.268 3.869 ( 1.824 10.866 1.679) 11.145 3.949 ( 5.217 -1.129 1.862) 5.653 4.071 ( 0.512 2.600 0.488) 2.694 4.091 ( -5.044 4.531 -0.479) 6.797 4.185 ( 0.896 -0.158 2.998) 3.133 4.278 ( -0.521 8.401 1.113) 8.490 4.307 ( -4.225 0.979 -1.325) 4.535 4.346 ( 0.516 -0.511 0.984) 1.223 4.467 ( -1.759 16.002 -4.236) 16.646 4.510 ( -6.064 3.545 3.455) 7.828 4.592 ( 5.106 8.017 -0.726) 9.533 4.639 ( -3.096 4.759 -1.615) 5.902 4.671 ( 2.916 9.565 -1.917) 10.181 4.734 ( -0.216 23.620 2.630) 23.767 4.940 ( 2.134 12.515 -1.285) 12.761 4.982 ( 5.709 4.924 4.705) 8.887 5.132 ( -2.942 10.321 4.182) 11.518 5.291 ( -1.933 0.062 -1.469) 2.429 5.355 ( 8.433 5.032 -16.558) 19.251 5.406 ( 1.548 5.876 -9.973) 11.678 5.465 ( 3.554 6.016 -6.749) 9.715 5.536 ( -0.097 3.201 -1.121) 3.393 5.608 ( 6.465 3.226 -12.173) 14.155 5.720 ( -2.022 -1.275 -7.924) 8.277 5.771 ( 0.309 1.208 -3.136) 3.375 6.021 ( 4.052 2.111 -14.173) 14.891 6.176 ( 4.586 -1.440 2.419) 5.381 6.305 ( -1.651 -1.642 0.449) 2.371 6.553 ( -2.255 -8.824 7.752) 11.960 6.608 ( -3.659 -8.455 5.390) 10.674 6.630 ( -1.720 -10.856 6.970) 13.015 6.728 ( -1.698 -8.102 3.653) 9.048 6.819 ( 0.668 -4.947 -0.249) 4.998 6.843 ( -1.285 -3.426 1.600) 3.993 6.902 ( 0.555 -4.670 -3.242) 5.712 6.953 ( 1.343 -4.403 -1.911) 4.985 7.045 ( 4.345 0.913 -3.154) 5.446 7.055 ( 1.737 -0.441 -1.741) 2.498 7.146 ( -2.234 0.012 7.005) 7.353 7.205 ( 0.107 -1.479 5.121) 5.331 7.218 ( 1.612 -0.311 4.858) 5.127 7.228 ( -2.901 0.821 0.141) 3.018 7.269 ( 0.065 -0.263 2.915) 2.927 7.354 ( 0.655 2.087 -0.847) 2.346 7.359 ( -3.667 0.331 5.583) 6.688 7.488 ( 0.155 1.608 -0.165) 1.624 7.527 ( -4.421 0.395 2.829) 5.263 7.572 ( -2.672 2.758 1.555) 4.143 7.665 ( 0.542 2.069 -0.560) 2.211 7.794 ( -3.434 2.851 2.707) 5.220 7.851 ( 1.372 4.073 8.615) 9.627 7.922 ( -8.259 1.123 2.277) 8.641 8.067 ( 0.740 8.451 3.099) 9.031 8.135 ( 1.384 13.952 -0.892) 14.049 8.223 ( -1.438 10.918 0.945) 11.052 8.243 ( 0.761 9.923 1.400) 10.050 8.337 ( 0.972 1.435 -2.399) 2.960 8.471 ( 1.305 0.585 -0.862) 1.670 8.490 ( 1.784 2.583 3.412) 4.637 8.589 ( -0.248 3.940 5.924) 7.119 8.729 ( -1.684 -1.153 -1.244) 2.390 8.768 ( -3.203 -0.094 0.409) 3.230 9.001 ( -0.045 -0.146 0.250) 0.293 9.211 ( -3.006 -6.190 -3.980) 7.949 9.395 ( 1.338 0.553 1.162) 1.856 9.486 ( -1.004 -4.095 -0.559) 4.253 9.591 ( -0.850 3.699 0.715) 3.862 9.668 ( 2.591 1.184 1.918) 3.434 9.882 ( -0.818 5.594 1.531) 5.857 10.013 ( -0.351 2.766 -2.653) 3.849 10.042 ( 1.137 3.884 -1.069) 4.186 10.125 ( 0.492 2.894 -1.676) 3.380 ======================= Grid point 56 (27/55) ======================= q-point: (-0.25 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -13.249 12.434 2.565) 18.350 1.018 ( -4.461 7.601 3.523) 9.492 1.204 ( -7.677 8.214 9.167) 14.506 1.494 ( 2.213 7.549 1.543) 8.017 1.588 ( 1.259 9.656 7.488) 12.284 1.651 ( 6.647 8.100 4.131) 11.263 1.693 ( 1.551 8.583 -1.247) 8.811 1.795 ( -3.313 7.302 1.161) 8.102 1.824 ( -1.879 9.351 2.857) 9.957 1.861 ( -3.623 10.442 4.888) 12.085 2.000 ( 0.178 10.193 2.110) 10.411 2.050 ( -2.466 6.791 -2.799) 7.748 2.098 ( 1.201 8.902 -2.188) 9.245 2.112 ( 0.821 10.426 -0.224) 10.461 2.164 ( 0.545 7.447 0.842) 7.514 2.227 ( 2.816 2.779 2.850) 4.876 2.286 ( 0.143 3.822 -2.057) 4.343 2.301 ( -1.017 9.493 1.619) 9.683 2.384 ( -1.195 8.167 0.972) 8.311 2.440 ( 6.770 2.310 1.103) 7.238 2.500 ( 3.131 6.826 -3.019) 8.094 2.542 ( 4.549 1.919 -1.123) 5.063 2.638 ( -0.711 6.044 -1.339) 6.231 2.684 ( 1.181 2.866 -3.209) 4.462 2.749 ( -0.954 5.712 5.601) 8.056 2.954 ( -7.154 0.695 -1.335) 7.310 3.073 ( -1.765 1.127 2.170) 3.016 3.172 ( 1.233 3.473 7.423) 8.288 3.317 ( 1.742 3.774 0.408) 4.176 3.358 ( -0.770 6.570 6.488) 9.265 3.457 ( -6.496 5.056 4.683) 9.471 3.543 ( 0.550 8.727 -0.145) 8.745 3.611 ( -1.234 9.220 2.493) 9.631 3.661 ( -6.125 6.120 10.073) 13.283 3.694 ( -1.531 11.706 1.817) 11.945 3.836 ( 1.666 15.774 -1.317) 15.916 3.898 ( -0.273 11.236 0.357) 11.245 3.945 ( -5.447 8.533 -1.349) 10.213 4.068 ( 0.803 0.022 -4.415) 4.488 4.093 ( -4.660 0.004 -2.910) 5.494 4.153 ( 1.362 1.516 5.326) 5.703 4.273 ( -2.591 13.523 1.724) 13.877 4.304 ( 4.205 3.795 3.113) 6.464 4.370 ( 5.298 -1.062 4.544) 7.060 4.413 ( -3.554 -1.276 4.128) 5.594 4.486 ( 0.975 20.227 -1.915) 20.341 4.543 ( -4.617 11.101 -1.178) 12.080 4.684 ( 5.923 5.342 -1.226) 8.070 4.720 ( 0.961 13.019 -2.049) 13.214 4.746 ( -0.934 9.390 -0.580) 9.454 4.965 ( 1.401 12.563 1.305) 12.708 5.096 ( 0.897 8.922 3.945) 9.797 5.138 ( 1.738 6.921 -0.438) 7.150 5.240 ( 0.596 1.467 -6.676) 6.861 5.392 ( 4.560 5.343 -4.238) 8.204 5.426 ( 10.128 2.564 -15.262) 18.495 5.475 ( 3.641 4.839 -10.693) 12.289 5.555 ( 0.063 0.265 -2.085) 2.103 5.612 ( -0.954 -0.802 -0.610) 1.388 5.637 ( 5.332 5.127 -8.948) 11.609 5.745 ( 0.627 2.233 -5.576) 6.040 5.940 ( -2.921 1.276 -13.178) 13.558 6.194 ( -3.945 -1.022 -0.822) 4.158 6.269 ( -0.693 -1.641 0.447) 1.836 6.558 ( -3.347 -8.866 7.085) 11.832 6.593 ( -2.707 -7.185 7.092) 10.452 6.652 ( -1.106 -11.540 6.184) 13.140 6.714 ( -2.275 -7.832 3.059) 8.710 6.814 ( -0.418 -5.779 -0.200) 5.798 6.879 ( 3.519 -3.075 -3.283) 5.711 6.890 ( 0.968 -5.789 -0.926) 5.942 6.985 ( 3.111 -2.361 -2.030) 4.401 7.052 ( -0.559 -1.164 -0.465) 1.372 7.083 ( 1.638 2.440 -2.206) 3.675 7.143 ( -5.173 -0.730 7.258) 8.943 7.191 ( -0.140 0.291 -0.608) 0.689 7.203 ( -1.506 -2.175 0.781) 2.758 7.269 ( -2.657 0.210 4.962) 5.632 7.296 ( 1.453 1.002 5.594) 5.866 7.318 ( -3.711 0.589 2.132) 4.320 7.405 ( 2.046 1.326 5.463) 5.982 7.437 ( -6.160 -0.038 2.733) 6.739 7.486 ( 0.214 1.993 -2.705) 3.367 7.553 ( -0.462 1.904 2.435) 3.125 7.672 ( -0.210 1.752 1.632) 2.403 7.763 ( -3.638 2.083 5.017) 6.538 7.797 ( -5.374 3.981 4.917) 8.301 7.971 ( 4.668 3.363 5.419) 7.903 8.085 ( -1.716 9.828 1.707) 10.122 8.156 ( 1.839 14.844 -2.132) 15.109 8.207 ( -0.861 10.260 1.701) 10.436 8.258 ( -0.404 9.754 0.773) 9.793 8.341 ( 0.902 0.645 -2.064) 2.343 8.450 ( -0.934 -1.327 -0.823) 1.820 8.548 ( 0.111 -0.419 3.323) 3.351 8.679 ( 3.307 3.255 0.914) 4.730 8.695 ( 0.073 -0.624 4.171) 4.218 8.739 ( 1.220 1.560 2.237) 2.988 8.988 ( -2.866 -1.321 -1.085) 3.337 9.051 ( -8.690 -1.713 -3.295) 9.450 9.414 ( 0.520 0.575 -0.126) 0.786 9.502 ( 1.207 -1.457 0.522) 1.963 9.581 ( -0.164 1.005 0.599) 1.182 9.726 ( 1.907 3.189 0.706) 3.782 9.870 ( -1.495 5.961 1.131) 6.248 10.008 ( 1.730 0.582 -1.640) 2.454 10.055 ( 0.722 4.260 -0.255) 4.328 10.117 ( 0.324 3.555 -2.597) 4.414 ======================= Grid point 57 (28/55) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 3.982 8.430 2.471) 9.644 1.093 ( 1.215 2.285 -1.117) 2.819 1.388 ( -3.684 12.417 10.891) 16.923 1.640 ( 0.204 4.284 1.771) 4.640 1.742 ( -5.557 4.654 -1.591) 7.421 1.801 ( 2.769 7.438 -0.033) 7.937 1.868 ( -6.080 5.424 4.426) 9.272 1.908 ( -2.487 7.941 2.808) 8.783 1.946 ( 2.357 4.850 2.954) 6.148 2.050 ( -1.900 4.336 -2.169) 5.207 2.075 ( 2.882 3.044 2.208) 4.738 2.168 ( -0.198 6.018 1.943) 6.327 2.211 ( -3.985 -1.164 0.603) 4.195 2.283 ( -1.768 4.043 -2.170) 4.918 2.315 ( -0.852 5.802 1.798) 6.134 2.343 ( 2.309 5.688 -0.243) 6.143 2.407 ( -3.489 2.839 0.739) 4.559 2.464 ( 3.662 8.238 2.121) 9.262 2.493 ( 0.020 8.962 -0.743) 8.993 2.522 ( 2.380 3.049 -1.777) 4.257 2.582 ( 0.358 3.651 -3.096) 4.800 2.721 ( 0.623 5.524 -2.717) 6.187 2.764 ( 4.429 5.539 -3.305) 7.824 2.805 ( -1.599 4.199 -4.969) 6.699 2.838 ( 2.303 4.060 6.108) 7.687 2.964 ( -0.716 4.614 5.391) 7.132 3.016 ( 0.774 0.398 -0.358) 0.941 3.178 ( -9.393 1.549 6.422) 11.484 3.395 ( -1.424 4.483 0.560) 4.738 3.494 ( -2.326 5.754 7.209) 9.513 3.563 ( -7.672 5.281 5.982) 11.070 3.591 ( 6.196 0.307 3.122) 6.945 3.705 ( -6.513 3.690 8.996) 11.703 3.806 ( 0.330 5.095 1.523) 5.328 3.832 ( -4.911 4.701 4.253) 8.019 3.901 ( 1.107 -5.947 1.032) 6.137 4.032 ( 2.264 5.587 0.940) 6.101 4.076 ( 1.485 2.868 0.619) 3.288 4.149 ( -1.650 2.850 1.298) 3.540 4.180 ( 3.149 4.018 1.889) 5.443 4.249 ( -2.438 3.327 0.486) 4.153 4.390 ( -2.233 -0.935 1.495) 2.846 4.437 ( -2.776 -2.090 2.396) 4.221 4.498 ( -0.307 19.631 -2.770) 19.828 4.593 ( 2.143 7.817 -0.407) 8.115 4.743 ( 0.831 13.342 -6.676) 14.943 4.784 ( 1.124 17.081 1.152) 17.156 4.847 ( 3.198 9.104 -4.771) 10.764 4.921 ( 4.751 15.650 -5.395) 17.222 5.091 ( -1.796 9.611 -6.287) 11.625 5.230 ( 0.588 11.976 -4.367) 12.761 5.247 ( 1.437 4.242 -3.542) 5.710 5.282 ( -0.922 11.499 1.273) 11.606 5.388 ( -1.763 11.585 3.667) 12.279 5.465 ( 5.379 0.289 -3.149) 6.240 5.550 ( 2.468 6.101 -11.460) 13.215 5.590 ( 5.335 6.445 -8.208) 11.721 5.638 ( 6.899 9.115 -5.905) 12.867 5.669 ( -7.385 4.084 -3.746) 9.233 5.713 ( -1.153 5.324 -2.868) 6.157 5.819 ( 6.252 2.599 -1.566) 6.949 5.901 ( 5.557 4.045 -2.544) 7.329 6.198 ( 1.854 -0.562 -1.960) 2.756 6.232 ( -2.467 3.547 -3.206) 5.380 6.399 ( -3.601 -6.570 7.488) 10.592 6.419 ( -2.272 -7.408 3.414) 8.468 6.469 ( -1.620 -8.211 6.341) 10.500 6.531 ( -1.451 -8.555 4.632) 9.836 6.682 ( 0.363 -6.981 -0.452) 7.005 6.727 ( 0.627 -9.709 -1.891) 9.912 6.855 ( 4.675 -5.660 -9.342) 11.882 6.920 ( 2.113 -5.836 -5.223) 8.112 7.010 ( -6.951 -1.534 2.533) 7.556 7.042 ( 1.261 -1.513 1.752) 2.636 7.122 ( -2.800 -0.020 1.615) 3.233 7.142 ( -2.771 -0.302 1.852) 3.346 7.236 ( 1.637 0.434 0.471) 1.757 7.248 ( -3.184 -0.008 1.764) 3.640 7.275 ( -4.428 1.163 3.995) 6.076 7.329 ( -0.989 0.261 4.935) 5.040 7.395 ( 0.344 -0.083 4.051) 4.067 7.467 ( 0.316 -1.125 1.810) 2.155 7.553 ( 3.800 0.708 4.901) 6.242 7.601 ( 0.642 1.669 0.985) 2.041 7.686 ( -2.606 0.403 5.403) 6.012 7.789 ( -0.837 0.860 2.307) 2.600 7.838 ( -1.832 2.488 6.558) 7.250 8.043 ( -2.878 -0.563 4.105) 5.045 8.211 ( -0.408 3.361 2.276) 4.080 8.275 ( -0.649 1.607 1.514) 2.301 8.317 ( -2.279 1.277 -1.590) 3.058 8.360 ( -0.829 -0.824 -0.074) 1.171 8.458 ( 3.991 9.024 -0.687) 9.891 8.531 ( -0.948 3.021 -0.185) 3.172 8.583 ( 0.560 1.833 1.483) 2.424 8.685 ( -1.771 5.189 -2.154) 5.891 8.787 ( 2.125 3.398 3.745) 5.485 8.895 ( -3.030 8.804 -0.593) 9.330 8.953 ( -0.437 -1.228 -1.070) 1.687 8.996 ( 4.118 2.787 2.172) 5.426 9.450 ( 0.186 1.527 -0.267) 1.561 9.478 ( -1.130 -0.057 -0.453) 1.218 9.617 ( 0.049 1.505 1.276) 1.973 9.750 ( -1.818 0.206 -2.657) 3.226 9.984 ( -0.019 5.314 1.691) 5.577 10.051 ( 0.766 1.552 1.236) 2.127 10.136 ( -0.276 4.025 -0.798) 4.112 10.180 ( 0.846 3.031 -2.161) 3.817 ======================= Grid point 58 (29/55) ======================= q-point: ( 0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.692 3.062 -3.058) 4.383 1.193 ( 8.749 1.801 1.387) 9.039 1.440 ( 0.623 11.415 10.594) 15.586 1.593 ( -7.837 6.910 1.965) 10.632 1.639 ( -3.408 5.489 0.775) 6.507 1.744 ( -9.655 9.774 7.535) 15.669 1.865 ( 2.088 3.192 1.144) 3.982 1.911 ( -1.148 5.279 -1.559) 5.623 1.958 ( 0.630 3.916 0.009) 3.966 2.022 ( -1.234 5.048 0.672) 5.240 2.073 ( -3.559 3.242 -0.291) 4.823 2.157 ( -1.201 0.349 3.879) 4.076 2.195 ( 1.883 5.057 1.337) 5.560 2.249 ( -3.222 3.808 1.143) 5.118 2.296 ( 0.847 3.995 -0.680) 4.140 2.363 ( -1.152 8.783 1.931) 9.066 2.396 ( 2.017 3.991 1.094) 4.603 2.458 ( -1.973 9.387 -1.567) 9.719 2.505 ( -0.138 4.493 -4.155) 6.121 2.557 ( 1.717 7.379 0.517) 7.594 2.598 ( 3.176 7.428 0.679) 8.107 2.682 ( -1.746 6.252 -3.452) 7.351 2.752 ( -0.428 3.604 -3.529) 5.062 2.859 ( 6.717 5.799 -2.230) 9.150 2.929 ( -5.115 3.928 -2.305) 6.849 2.957 ( 3.684 4.040 7.985) 9.677 3.059 ( -5.128 1.574 5.385) 7.601 3.088 ( 2.758 3.052 3.818) 5.613 3.401 ( 0.851 3.281 -0.099) 3.391 3.474 ( -3.467 5.380 3.312) 7.206 3.531 ( -0.668 2.487 6.732) 7.208 3.645 ( -1.123 1.400 2.459) 3.044 3.701 ( -0.856 1.667 7.838) 8.059 3.797 ( -1.609 4.195 8.403) 9.529 3.861 ( 1.065 1.648 3.739) 4.222 3.908 ( -2.482 -2.769 5.309) 6.482 3.989 ( -5.575 4.584 -3.397) 7.977 4.107 ( -4.174 1.315 1.879) 4.762 4.162 ( -1.633 3.461 -1.900) 4.272 4.179 ( 0.304 2.799 -0.175) 2.821 4.258 ( 2.180 6.010 2.720) 6.948 4.330 ( -2.317 3.089 1.197) 4.043 4.382 ( 0.497 -1.322 1.239) 1.878 4.468 ( -2.715 13.294 -1.170) 13.619 4.622 ( 2.688 13.468 -0.564) 13.745 4.716 ( 0.264 9.246 -5.335) 10.679 4.786 ( -1.367 16.149 -0.064) 16.206 4.850 ( 1.730 8.643 -4.897) 10.083 4.971 ( 2.914 14.000 -6.509) 15.711 5.070 ( -3.268 7.646 -2.950) 8.823 5.155 ( 4.542 11.626 -4.149) 13.153 5.239 ( -0.596 18.974 -0.398) 18.987 5.315 ( -0.542 4.235 0.850) 4.353 5.364 ( -0.629 6.357 -2.293) 6.787 5.494 ( 1.688 9.497 -12.155) 15.517 5.561 ( 3.125 -0.166 -3.806) 4.928 5.563 ( 2.593 5.529 -4.018) 7.310 5.653 ( 6.280 6.108 -5.784) 10.498 5.671 ( 0.235 11.184 0.416) 11.194 5.748 ( 7.069 6.099 -7.123) 11.743 5.831 ( -0.087 4.369 -5.395) 6.943 6.044 ( 8.130 2.372 -0.720) 8.499 6.158 ( -1.008 2.521 -6.146) 6.719 6.238 ( 2.943 -1.171 -1.270) 3.413 6.382 ( -2.442 -5.599 4.536) 7.608 6.406 ( -3.368 -9.709 8.108) 13.090 6.470 ( -3.076 -7.846 5.709) 10.179 6.551 ( -0.824 -8.157 5.214) 9.716 6.689 ( 0.740 -7.147 -0.240) 7.189 6.739 ( 2.455 -8.564 -2.238) 9.186 6.832 ( -0.911 -7.676 -5.038) 9.227 6.878 ( -3.459 -5.462 -3.878) 7.539 6.983 ( 3.782 0.525 -1.281) 4.027 7.069 ( -0.780 0.377 -1.515) 1.745 7.108 ( 2.718 -1.150 3.926) 4.912 7.135 ( -1.025 -1.546 4.800) 5.146 7.190 ( -3.688 -0.025 3.251) 4.917 7.240 ( -1.852 -1.602 2.578) 3.555 7.274 ( -0.224 1.455 0.901) 1.726 7.357 ( -0.809 -0.262 5.737) 5.800 7.406 ( -0.679 1.530 0.287) 1.698 7.483 ( -0.632 -1.413 2.213) 2.700 7.591 ( -1.368 2.704 2.737) 4.084 7.623 ( -0.523 0.403 1.635) 1.763 7.694 ( -0.349 1.282 3.739) 3.968 7.818 ( 2.250 0.621 2.805) 3.649 7.850 ( -2.786 0.776 6.735) 7.329 7.998 ( -4.679 0.031 5.352) 7.109 8.188 ( -4.926 2.075 2.731) 6.002 8.273 ( -0.673 1.340 1.734) 2.293 8.286 ( -0.020 1.805 -0.813) 1.980 8.353 ( -0.037 -0.304 -0.326) 0.448 8.481 ( 0.776 8.272 -2.890) 8.797 8.519 ( 0.250 2.170 0.820) 2.333 8.630 ( 2.196 7.356 1.477) 7.818 8.654 ( -0.505 4.156 -1.266) 4.374 8.805 ( -2.244 1.360 2.203) 3.426 8.829 ( -3.376 9.071 0.569) 9.695 8.981 ( 3.232 0.475 -0.346) 3.285 9.099 ( 5.281 -1.514 0.119) 5.495 9.418 ( -2.144 1.410 -0.378) 2.594 9.459 ( -1.734 -0.397 0.048) 1.780 9.637 ( 1.060 0.959 1.888) 2.368 9.697 ( -1.694 2.021 -2.136) 3.393 9.992 ( -0.546 5.094 1.620) 5.373 10.066 ( 0.026 1.101 0.546) 1.229 10.125 ( 0.070 4.638 -1.248) 4.804 10.185 ( 1.072 2.971 -1.687) 3.581 ======================= Grid point 59 (30/55) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.076 3.139 -3.713) 4.862 1.229 ( -4.931 -0.365 -4.717) 6.834 1.486 ( -3.968 10.142 6.403) 12.634 1.570 ( 2.192 6.579 5.296) 8.726 1.618 ( 1.447 8.058 4.498) 9.341 1.693 ( -2.576 9.640 10.481) 14.471 1.839 ( -1.772 1.307 -2.429) 3.278 1.917 ( 2.354 5.669 -0.639) 6.171 1.956 ( 1.517 3.716 -4.319) 5.896 2.010 ( -2.238 3.473 7.374) 8.453 2.098 ( 1.550 4.723 2.255) 5.458 2.148 ( -1.969 1.917 2.578) 3.768 2.215 ( -1.628 3.025 1.797) 3.877 2.247 ( 1.905 3.773 2.311) 4.817 2.306 ( 1.775 3.610 -0.414) 4.044 2.363 ( -1.069 8.749 -0.460) 8.826 2.385 ( -3.314 7.929 -0.083) 8.594 2.444 ( 1.078 9.653 0.099) 9.714 2.469 ( 0.147 4.403 -4.135) 6.042 2.579 ( 1.544 5.216 0.048) 5.440 2.630 ( -2.420 7.275 -3.989) 8.642 2.651 ( 0.405 7.657 -0.826) 7.712 2.748 ( 2.831 5.094 -1.649) 6.056 2.836 ( -1.282 7.344 3.516) 8.242 2.863 ( -4.164 6.823 -4.002) 8.939 3.038 ( -0.331 1.191 2.207) 2.529 3.090 ( 3.393 2.231 8.272) 9.215 3.134 ( -1.230 0.072 2.292) 2.602 3.374 ( -3.408 2.918 0.725) 4.545 3.460 ( -0.556 5.278 2.800) 6.001 3.580 ( 1.616 -0.952 0.317) 1.902 3.675 ( -1.207 4.486 9.250) 10.351 3.722 ( -4.643 2.093 11.732) 12.790 3.823 ( -7.345 3.487 5.874) 10.031 3.862 ( -1.991 3.652 1.457) 4.407 3.917 ( 0.277 -0.367 3.491) 3.521 3.934 ( 7.458 -0.055 5.736) 9.408 4.086 ( -0.516 1.822 2.261) 2.949 4.142 ( 2.016 4.470 -1.471) 5.119 4.179 ( 1.347 4.535 0.789) 4.796 4.226 ( -5.430 6.154 -2.503) 8.580 4.313 ( -0.792 -0.249 -0.880) 1.210 4.381 ( -6.688 7.082 -1.169) 9.810 4.444 ( 3.444 -0.145 -0.500) 3.483 4.606 ( -3.106 13.442 -5.399) 14.815 4.735 ( 2.703 8.840 -1.895) 9.437 4.757 ( 1.291 18.091 1.001) 18.165 4.842 ( 2.527 9.629 -7.379) 12.392 4.968 ( 2.331 14.640 -7.453) 16.592 5.066 ( 5.354 5.404 3.192) 8.249 5.214 ( 0.280 15.318 -4.510) 15.971 5.251 ( 3.762 19.537 0.007) 19.896 5.293 ( -1.393 2.862 1.344) 3.455 5.362 ( 0.656 9.616 0.727) 9.666 5.461 ( 3.632 8.175 -11.681) 14.712 5.547 ( -0.855 4.974 -5.640) 7.568 5.585 ( 4.476 3.942 -6.150) 8.567 5.663 ( -1.919 5.277 -1.887) 5.923 5.679 ( 0.406 11.959 -4.678) 12.848 5.776 ( 1.397 5.348 -5.479) 7.783 5.802 ( 2.464 3.701 -8.920) 9.966 6.084 ( 0.997 2.766 -8.746) 9.228 6.162 ( 1.865 0.085 0.482) 1.928 6.273 ( 2.398 -1.781 -1.305) 3.260 6.380 ( -2.326 -7.035 6.923) 10.140 6.410 ( -2.746 -9.499 6.639) 11.910 6.455 ( -3.097 -7.219 7.107) 10.594 6.561 ( -1.878 -8.655 4.567) 9.965 6.698 ( 0.023 -7.239 -0.040) 7.239 6.750 ( -1.224 -7.024 -1.802) 7.354 6.788 ( 2.344 -6.410 -5.210) 8.586 6.847 ( 2.611 -6.199 -2.459) 7.162 7.036 ( 1.589 0.071 -1.240) 2.017 7.069 ( 3.133 0.452 -0.423) 3.194 7.147 ( -2.995 -1.910 5.560) 6.598 7.163 ( -0.940 -0.494 2.937) 3.123 7.205 ( -0.011 -2.713 1.096) 2.926 7.218 ( 1.479 -0.701 5.000) 5.261 7.281 ( -1.020 1.536 3.723) 4.154 7.360 ( -2.276 -0.057 5.096) 5.581 7.402 ( 0.351 2.229 -0.643) 2.347 7.488 ( 0.355 -1.123 2.671) 2.919 7.551 ( -6.124 2.154 2.451) 6.940 7.603 ( -3.064 0.546 0.452) 3.145 7.698 ( -0.475 1.458 0.823) 1.740 7.824 ( -3.130 0.953 3.153) 4.543 7.896 ( 3.727 0.461 5.352) 6.538 7.927 ( -8.705 -0.867 5.403) 10.282 8.169 ( 0.940 2.673 4.236) 5.096 8.274 ( -0.793 1.624 1.879) 2.608 8.298 ( 1.673 1.335 0.367) 2.172 8.350 ( -0.167 -0.084 0.011) 0.187 8.484 ( 1.386 5.725 -3.995) 7.117 8.530 ( 0.087 1.542 1.101) 1.897 8.598 ( -2.285 9.929 -2.155) 10.414 8.689 ( 0.945 4.348 2.617) 5.162 8.772 ( -1.752 1.314 -0.264) 2.206 8.810 ( 0.794 10.100 0.714) 10.156 9.006 ( -0.582 0.664 -0.099) 0.888 9.127 ( -1.805 -2.877 -2.114) 4.000 9.410 ( 0.351 1.215 0.698) 1.445 9.439 ( 1.035 -0.497 0.517) 1.260 9.642 ( -1.872 1.725 0.909) 2.703 9.708 ( 3.277 1.892 0.783) 3.864 9.991 ( -0.697 5.026 1.383) 5.259 10.053 ( -1.257 1.612 -0.733) 2.171 10.128 ( 0.918 4.561 -0.674) 4.701 10.189 ( 0.659 2.926 -1.626) 3.412 ======================= Grid point 60 (31/55) ======================= q-point: (-0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -2.220 6.092 -1.755) 6.717 1.105 ( -3.014 3.236 -1.772) 4.764 1.423 ( -7.527 11.659 8.615) 16.334 1.611 ( 1.536 4.587 0.794) 4.902 1.736 ( 4.116 5.704 3.736) 7.965 1.765 ( 2.458 7.100 4.825) 8.929 1.834 ( 3.271 4.960 1.854) 6.224 1.917 ( -1.175 5.329 -1.920) 5.785 1.989 ( -5.256 5.723 5.239) 9.371 2.006 ( 3.769 2.629 -0.623) 4.638 2.102 ( -2.526 3.621 0.565) 4.451 2.169 ( -0.615 6.500 2.134) 6.869 2.204 ( 1.299 1.304 3.217) 3.706 2.258 ( 1.872 2.201 2.018) 3.525 2.327 ( -0.656 6.235 -2.526) 6.759 2.356 ( -1.413 3.524 -0.534) 3.834 2.374 ( 2.331 11.248 1.968) 11.655 2.441 ( 0.050 4.032 0.543) 4.068 2.486 ( 3.396 4.670 -2.611) 6.337 2.546 ( -3.849 7.136 -1.828) 8.311 2.591 ( 0.579 3.078 -2.310) 3.892 2.684 ( 4.036 7.707 -0.692) 8.727 2.764 ( -2.244 6.178 -3.001) 7.225 2.781 ( 1.947 6.328 -0.606) 6.648 2.890 ( -0.453 6.426 2.136) 6.787 2.950 ( -5.353 0.271 0.250) 5.366 3.076 ( -6.119 -0.392 1.759) 6.379 3.215 ( 1.171 0.601 6.786) 6.912 3.373 ( 1.918 3.317 4.168) 5.661 3.476 ( 0.816 5.043 4.151) 6.583 3.550 ( -5.653 3.464 1.282) 6.752 3.650 ( -7.325 4.674 8.636) 12.250 3.747 ( -5.335 3.193 12.897) 14.318 3.779 ( -1.161 6.836 6.112) 9.243 3.851 ( 1.759 1.909 -1.023) 2.789 3.902 ( -2.910 -3.404 0.991) 4.586 4.046 ( -2.362 1.878 -2.729) 4.068 4.117 ( -1.716 3.736 0.286) 4.121 4.143 ( 0.409 6.538 0.542) 6.573 4.180 ( -4.063 5.637 0.409) 6.960 4.234 ( 2.997 4.007 0.998) 5.102 4.290 ( 9.446 -2.001 5.019) 10.882 4.346 ( 3.875 -0.818 1.073) 4.104 4.509 ( 2.273 7.346 -0.187) 7.692 4.561 ( 2.326 9.230 -3.111) 10.014 4.732 ( 0.970 20.815 -0.476) 20.843 4.786 ( 0.543 11.729 -4.468) 12.563 4.856 ( 3.666 9.164 -6.703) 11.931 4.936 ( -0.357 15.497 -7.392) 17.174 5.162 ( -1.174 13.768 -4.819) 14.634 5.195 ( 3.788 2.008 -0.508) 4.318 5.265 ( -0.336 10.738 -1.136) 10.803 5.290 ( -0.129 14.484 0.813) 14.507 5.383 ( 0.356 14.099 2.546) 14.332 5.458 ( 2.632 0.870 -7.371) 7.875 5.526 ( 2.384 3.468 -4.045) 5.837 5.573 ( 1.809 3.849 -6.854) 8.067 5.615 ( 1.043 8.158 -9.491) 12.559 5.686 ( 4.804 10.148 -0.522) 11.240 5.751 ( 0.543 6.603 -7.032) 9.661 5.792 ( 1.081 2.769 -3.725) 4.766 5.970 ( -6.758 1.126 -8.500) 10.917 6.180 ( 1.125 -1.077 -0.480) 1.630 6.286 ( -0.663 3.360 -2.291) 4.121 6.394 ( -2.771 -8.609 9.018) 12.772 6.413 ( -0.077 -9.701 3.641) 10.362 6.457 ( -2.765 -6.205 7.624) 10.211 6.547 ( -2.950 -8.611 3.648) 9.806 6.685 ( -0.666 -7.142 -0.063) 7.173 6.735 ( 0.165 -9.166 -1.704) 9.324 6.813 ( 5.574 -4.625 -7.249) 10.247 6.902 ( 4.382 -6.531 -3.368) 8.556 7.032 ( -0.681 -0.624 -0.001) 0.923 7.097 ( -3.840 -1.493 1.068) 4.256 7.143 ( -0.097 0.693 5.030) 5.078 7.155 ( -1.434 -1.478 1.945) 2.833 7.188 ( 0.704 -1.100 0.396) 1.365 7.276 ( -1.968 0.104 5.100) 5.468 7.305 ( 1.313 0.629 2.149) 2.596 7.348 ( -3.480 1.657 5.073) 6.372 7.420 ( -6.172 -0.713 3.731) 7.248 7.434 ( -0.879 1.248 3.544) 3.859 7.505 ( -0.422 0.103 -2.066) 2.111 7.573 ( 1.041 0.085 1.778) 2.062 7.692 ( -1.923 0.888 3.820) 4.368 7.804 ( -3.064 1.940 5.163) 6.310 7.843 ( -3.316 1.038 2.745) 4.428 8.000 ( 3.225 -0.171 6.034) 6.844 8.208 ( -0.233 2.802 2.519) 3.775 8.273 ( -0.629 1.980 1.837) 2.774 8.342 ( 1.735 -0.212 -1.145) 2.090 8.352 ( 0.602 -0.368 3.067) 3.147 8.442 ( -1.285 7.349 -5.766) 9.429 8.536 ( -0.090 2.871 0.437) 2.906 8.574 ( -0.088 5.396 0.781) 5.453 8.716 ( 0.534 5.332 2.366) 5.857 8.745 ( -0.624 2.221 -1.755) 2.899 8.858 ( 4.072 8.966 0.643) 9.869 8.981 ( -1.859 1.169 0.853) 2.355 9.036 ( -6.186 0.265 -1.552) 6.383 9.429 ( 1.641 1.227 0.001) 2.049 9.480 ( 1.614 -0.527 0.339) 1.732 9.618 ( -1.291 2.431 1.085) 2.959 9.763 ( 1.964 0.123 -0.319) 1.993 9.984 ( -1.065 5.194 1.114) 5.418 10.036 ( 0.032 2.092 0.153) 2.098 10.138 ( 0.488 4.065 -0.358) 4.109 10.185 ( 0.398 2.971 -2.070) 3.643 ======================= Grid point 61 (32/55) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 2.286 1.945 -2.174) 3.706 1.134 ( 2.479 0.586 -1.545) 2.979 1.592 ( -1.922 7.808 6.096) 10.091 1.679 ( -0.447 -0.902 3.136) 3.294 1.856 ( -4.357 5.397 0.302) 6.942 1.901 ( -0.091 1.662 0.697) 1.805 1.963 ( 0.818 4.504 0.710) 4.632 2.007 ( 0.087 2.246 3.222) 3.928 2.019 ( -4.495 2.838 3.510) 6.371 2.068 ( 3.656 -2.624 1.117) 4.637 2.111 ( -2.683 1.782 1.547) 3.573 2.153 ( -5.739 -3.062 0.517) 6.525 2.286 ( -0.591 4.173 0.694) 4.271 2.323 ( -2.016 0.276 -0.116) 2.038 2.368 ( 0.912 1.005 1.951) 2.377 2.378 ( 1.252 -0.107 1.871) 2.254 2.501 ( -0.190 4.331 -0.783) 4.406 2.546 ( 0.305 0.122 -0.445) 0.553 2.587 ( 3.974 2.522 -0.898) 4.792 2.600 ( 1.296 1.885 -2.480) 3.374 2.684 ( 1.197 5.462 0.862) 5.657 2.748 ( 0.213 -1.219 -0.771) 1.458 2.846 ( 2.282 2.858 -4.208) 5.575 2.870 ( 1.327 0.941 -4.280) 4.579 2.921 ( 1.401 3.823 0.706) 4.132 2.975 ( 0.279 -1.702 -1.831) 2.516 3.101 ( -1.542 5.528 7.238) 9.237 3.178 ( -6.255 -1.888 7.845) 10.209 3.503 ( -0.908 6.089 -1.230) 6.278 3.567 ( -0.576 1.276 2.973) 3.286 3.594 ( 1.281 0.269 3.307) 3.556 3.626 ( -6.171 -0.961 4.030) 7.433 3.750 ( -5.063 1.754 10.593) 11.871 3.796 ( -0.364 -2.986 8.086) 8.628 3.872 ( -2.795 1.671 3.676) 4.911 3.885 ( -5.906 0.699 4.982) 7.758 4.090 ( 1.474 1.166 1.340) 2.309 4.106 ( -2.266 -0.104 1.707) 2.839 4.192 ( 0.515 2.410 0.797) 2.591 4.217 ( 0.726 0.158 0.079) 0.747 4.296 ( -1.065 2.555 -1.064) 2.965 4.357 ( -0.195 -3.129 0.591) 3.190 4.435 ( 0.461 2.931 1.919) 3.534 4.519 ( 3.366 -4.622 2.039) 6.070 4.923 ( 4.589 11.124 -9.893) 15.578 4.929 ( 3.235 5.977 -11.203) 13.103 4.985 ( 3.027 5.660 -8.469) 10.627 5.097 ( 3.045 -0.048 -11.400) 11.800 5.176 ( 0.478 4.554 -0.589) 4.616 5.192 ( 0.881 16.018 -0.246) 16.044 5.278 ( 2.342 -0.212 -2.647) 3.541 5.400 ( -1.533 4.891 -1.851) 5.449 5.454 ( 1.712 0.571 -2.709) 3.255 5.509 ( 1.278 5.915 -3.597) 7.040 5.547 ( -4.570 1.243 -0.963) 4.833 5.609 ( 0.640 -2.233 -2.684) 3.550 5.716 ( 3.631 8.532 -7.567) 11.968 5.786 ( 5.699 2.793 -7.560) 9.871 5.807 ( 2.918 6.973 1.237) 7.660 5.826 ( -1.330 6.975 -2.497) 7.527 5.921 ( -0.189 6.445 -0.454) 6.463 6.010 ( 1.738 1.862 3.195) 4.086 6.136 ( -0.812 -0.511 5.854) 5.932 6.182 ( -2.011 -3.924 6.524) 7.874 6.244 ( -4.352 -8.257 7.365) 11.889 6.339 ( 1.265 -9.692 5.243) 11.092 6.468 ( -0.589 7.970 -4.300) 9.075 6.510 ( 2.330 8.093 -4.885) 9.736 6.558 ( -0.571 -2.354 -3.010) 3.864 6.562 ( 2.072 -4.702 -1.711) 5.415 6.689 ( 1.063 -10.559 -7.962) 13.267 6.752 ( 2.389 -10.698 -6.165) 12.576 6.999 ( -2.649 0.128 1.244) 2.929 7.013 ( -0.338 -1.257 1.308) 1.846 7.118 ( -2.483 0.073 2.697) 3.667 7.129 ( -2.275 -0.919 2.383) 3.421 7.234 ( -3.277 0.596 2.190) 3.986 7.252 ( -3.152 -0.535 1.306) 3.454 7.308 ( -1.957 1.707 2.943) 3.925 7.338 ( -0.200 -0.415 2.224) 2.271 7.393 ( 1.589 0.953 3.848) 4.271 7.432 ( 0.203 -2.268 1.603) 2.785 7.573 ( 2.383 1.557 5.182) 5.913 7.608 ( 1.092 -1.352 3.701) 4.089 7.717 ( -1.977 2.971 4.455) 5.708 7.774 ( -1.148 -2.170 2.635) 3.602 7.908 ( -2.236 4.490 6.078) 7.881 7.997 ( -2.683 -3.931 5.699) 7.425 8.252 ( -1.402 1.474 2.298) 3.069 8.281 ( -1.990 -1.137 2.552) 3.430 8.318 ( -1.034 0.012 0.027) 1.035 8.331 ( 0.510 -1.082 -0.402) 1.262 8.550 ( -0.527 1.421 0.658) 1.652 8.576 ( -0.072 -1.258 0.673) 1.429 8.626 ( 3.327 6.223 -3.051) 7.688 8.719 ( 2.596 -2.539 -3.809) 5.263 8.863 ( -0.947 3.723 1.231) 4.034 8.923 ( -0.151 -2.140 -0.023) 2.145 9.049 ( -1.404 5.540 0.795) 5.771 9.078 ( 1.008 2.663 0.921) 2.993 9.483 ( -0.344 1.379 -0.257) 1.444 9.487 ( -0.481 0.690 -0.091) 0.846 9.660 ( -0.411 2.820 0.164) 2.855 9.721 ( -0.718 -2.833 -1.662) 3.363 10.063 ( -0.182 2.443 1.583) 2.917 10.079 ( -0.071 0.714 1.630) 1.781 10.201 ( 0.236 2.260 -1.185) 2.562 10.218 ( 0.594 0.600 -1.629) 1.835 ======================= Grid point 62 (33/55) ======================= q-point: ( 0.25 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 1.751 2.767 -3.238) 4.605 1.186 ( 3.873 -2.014 -2.412) 4.987 1.623 ( 0.397 6.722 5.735) 8.845 1.690 ( -1.125 0.336 3.031) 3.251 1.749 ( -6.371 6.714 0.931) 9.303 1.852 ( -5.218 -3.037 2.107) 6.395 1.923 ( -6.941 6.848 6.105) 11.504 1.988 ( -0.744 3.379 -1.230) 3.672 2.002 ( -1.588 -0.527 2.681) 3.161 2.048 ( -3.871 -1.939 0.249) 4.337 2.131 ( 3.006 2.710 1.867) 4.457 2.163 ( 2.181 -0.345 4.135) 4.688 2.267 ( -1.791 1.995 0.505) 2.728 2.282 ( -3.598 0.295 1.476) 3.900 2.367 ( 0.833 3.147 -0.702) 3.330 2.405 ( 0.331 -0.577 -0.130) 0.677 2.533 ( 2.818 5.556 1.513) 6.410 2.571 ( 1.988 1.491 -2.137) 3.278 2.599 ( 0.520 3.939 -1.817) 4.369 2.626 ( 1.206 0.784 -1.691) 2.220 2.725 ( 2.105 4.040 0.210) 4.561 2.753 ( 1.141 0.753 -0.718) 1.544 2.829 ( -0.135 4.111 -2.963) 5.069 2.894 ( 3.913 -1.919 -2.263) 4.911 2.982 ( 4.394 3.262 -2.371) 5.964 3.021 ( 4.525 0.262 -1.914) 4.920 3.104 ( -4.529 2.962 6.130) 8.177 3.134 ( -2.987 0.586 6.860) 7.505 3.468 ( -1.828 3.256 -0.204) 3.739 3.512 ( -3.200 -0.766 -0.829) 3.393 3.602 ( -1.639 3.584 6.415) 7.529 3.655 ( 0.126 -0.969 6.655) 6.726 3.729 ( -4.094 2.329 7.566) 8.913 3.807 ( -3.813 -4.209 7.671) 9.545 3.856 ( -1.970 0.409 6.027) 6.354 3.863 ( -3.637 -0.236 9.119) 9.820 4.059 ( -4.714 2.627 0.688) 5.440 4.101 ( -3.420 -1.550 3.257) 4.971 4.205 ( -0.398 1.758 -2.467) 3.055 4.217 ( 1.033 0.870 -1.314) 1.884 4.312 ( 2.875 1.047 -0.338) 3.078 4.342 ( 1.225 -1.970 -1.308) 2.663 4.424 ( -1.461 5.807 2.699) 6.568 4.525 ( -2.746 -3.687 2.381) 5.177 4.878 ( -0.839 6.331 -9.147) 11.156 4.929 ( 2.597 4.465 -11.169) 12.306 4.960 ( 2.244 10.624 -6.734) 12.777 5.092 ( 4.010 -0.464 -8.269) 9.202 5.142 ( -2.849 9.881 -1.153) 10.348 5.185 ( -3.804 3.958 -4.806) 7.296 5.327 ( 7.537 8.683 -1.958) 11.664 5.404 ( 0.779 2.441 -5.881) 6.416 5.446 ( 4.079 2.427 -3.225) 5.738 5.497 ( 1.098 1.568 -1.294) 2.311 5.538 ( 3.403 4.295 -2.342) 5.959 5.645 ( 2.836 -3.117 0.646) 4.263 5.723 ( 1.913 11.026 -4.246) 11.969 5.778 ( -0.103 11.020 -1.413) 11.111 5.844 ( 5.435 1.618 -5.475) 7.883 5.878 ( 2.225 6.194 -3.980) 7.691 5.957 ( 3.700 3.900 -3.198) 6.255 6.034 ( -1.630 -7.555 4.054) 8.728 6.159 ( 0.281 4.429 4.941) 6.642 6.188 ( -2.826 -0.919 6.526) 7.171 6.260 ( -0.265 -5.174 7.729) 9.305 6.377 ( -1.551 -9.088 5.223) 10.596 6.414 ( -2.503 3.636 -1.350) 4.617 6.471 ( -1.361 8.994 -8.368) 12.360 6.551 ( 1.657 -4.873 -2.058) 5.543 6.591 ( 2.995 -4.636 -2.940) 6.253 6.658 ( 0.978 -8.278 -4.682) 9.560 6.723 ( 0.751 -9.978 -7.671) 12.608 7.007 ( 2.634 1.791 1.249) 3.422 7.052 ( 3.396 -2.325 0.697) 4.174 7.088 ( -2.518 0.258 3.576) 4.381 7.109 ( -2.431 -1.369 3.863) 4.766 7.191 ( -2.957 0.479 2.403) 3.840 7.210 ( -2.871 -1.314 2.769) 4.200 7.311 ( -0.411 2.073 1.478) 2.578 7.346 ( -0.791 -1.166 3.069) 3.376 7.429 ( 0.179 1.048 1.350) 1.719 7.453 ( -0.225 -1.437 2.359) 2.772 7.622 ( -0.276 0.370 2.341) 2.386 7.631 ( -0.655 0.050 2.824) 2.900 7.734 ( -0.418 3.480 5.855) 6.824 7.800 ( 1.507 -2.367 4.035) 4.915 7.888 ( -4.272 3.193 4.527) 6.995 7.961 ( -5.576 -3.470 5.337) 8.463 8.218 ( -3.541 1.596 2.476) 4.607 8.258 ( -2.075 -2.205 2.337) 3.825 8.310 ( -0.031 1.392 0.358) 1.437 8.336 ( 0.033 -1.190 0.407) 1.258 8.549 ( -0.059 1.522 0.732) 1.690 8.571 ( -0.053 0.190 -0.259) 0.326 8.673 ( 2.768 3.396 -2.705) 5.149 8.726 ( 0.952 -1.055 -3.898) 4.149 8.876 ( 1.483 4.497 1.772) 5.056 8.937 ( 1.519 -1.128 -0.356) 1.926 9.030 ( -1.210 5.520 0.931) 5.727 9.093 ( -0.061 -0.672 0.549) 0.870 9.454 ( -1.768 1.839 -0.026) 2.551 9.467 ( -1.862 0.531 -0.049) 1.936 9.666 ( 0.725 1.951 0.538) 2.150 9.703 ( 0.037 -1.290 -1.108) 1.701 10.068 ( -0.555 2.382 1.436) 2.836 10.085 ( -0.449 0.430 1.259) 1.405 10.199 ( 0.560 2.597 -1.262) 2.941 10.221 ( 0.867 0.450 -1.458) 1.754 ======================= Grid point 63 (34/55) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.121 3.314 -4.625) 5.691 1.187 ( -0.742 -3.168 -5.179) 6.116 1.647 ( -2.404 5.567 4.232) 7.394 1.682 ( -1.466 2.771 2.944) 4.301 1.734 ( 2.617 4.833 4.027) 6.814 1.814 ( -0.272 -2.377 2.625) 3.552 1.890 ( -2.097 8.065 8.520) 11.917 1.977 ( 0.375 0.732 -1.523) 1.731 1.988 ( 0.257 0.230 -2.530) 2.553 2.023 ( -2.058 -2.246 7.011) 7.644 2.177 ( -0.030 2.777 2.652) 3.840 2.195 ( -1.501 1.622 4.618) 5.120 2.243 ( -0.896 1.303 0.967) 1.853 2.275 ( 1.477 -0.724 2.575) 3.055 2.376 ( 0.702 2.878 -1.696) 3.414 2.408 ( 0.250 -0.282 -1.131) 1.192 2.547 ( -0.554 4.780 -3.739) 6.094 2.564 ( -0.253 3.995 -1.088) 4.148 2.590 ( -1.060 4.033 -2.110) 4.673 2.623 ( -0.272 0.619 -0.909) 1.133 2.732 ( 0.086 2.661 -0.748) 2.765 2.748 ( -1.675 1.221 -1.790) 2.738 2.860 ( 3.684 6.226 -1.275) 7.346 2.929 ( 0.193 0.843 0.202) 0.888 2.974 ( -1.312 4.384 -3.025) 5.486 3.034 ( -3.729 -1.660 -2.285) 4.678 3.105 ( 1.435 0.291 3.620) 3.905 3.123 ( -0.721 -1.069 3.378) 3.616 3.440 ( -1.799 3.528 1.657) 4.293 3.500 ( 0.843 -2.043 1.161) 2.496 3.615 ( -1.269 5.369 5.393) 7.715 3.709 ( -0.060 -2.347 8.417) 8.738 3.753 ( -1.824 2.160 10.070) 10.459 3.819 ( -3.206 -4.398 10.643) 11.954 3.862 ( -2.740 1.176 8.431) 8.942 3.886 ( -2.026 -0.681 11.682) 11.876 4.008 ( 1.509 4.412 0.582) 4.699 4.076 ( 0.341 -2.238 2.313) 3.237 4.204 ( 2.106 1.970 -1.631) 3.313 4.217 ( 1.267 0.596 -1.330) 1.931 4.301 ( -1.881 2.193 -4.957) 5.737 4.353 ( -0.062 -0.505 -1.042) 1.160 4.390 ( -3.941 1.884 -2.307) 4.940 4.447 ( -7.834 -1.557 -1.993) 8.232 4.844 ( 4.867 6.001 -6.702) 10.228 4.905 ( 4.356 0.147 -9.249) 10.225 4.973 ( 3.823 13.554 -7.944) 16.169 5.106 ( 4.046 -0.089 -9.784) 10.588 5.116 ( 1.723 8.773 -0.786) 8.975 5.154 ( 3.074 3.070 -1.783) 4.696 5.379 ( 1.535 5.677 -4.425) 7.360 5.406 ( 2.596 9.716 -3.048) 10.509 5.479 ( 1.683 -2.417 -3.117) 4.288 5.532 ( 2.965 1.791 -0.926) 3.586 5.565 ( -0.408 7.198 0.674) 7.241 5.647 ( -4.114 1.966 1.371) 4.761 5.724 ( 0.856 11.737 -2.607) 12.054 5.786 ( -0.532 2.220 -4.154) 4.740 5.834 ( 3.481 7.000 -6.288) 10.033 5.895 ( 1.631 5.117 -5.475) 7.670 5.969 ( 1.723 5.984 -5.283) 8.166 6.026 ( -1.316 -8.130 2.644) 8.649 6.162 ( -4.264 2.750 4.044) 6.489 6.204 ( -1.931 -2.813 6.187) 7.065 6.274 ( -3.713 -3.433 5.492) 7.465 6.346 ( -3.570 -4.132 2.493) 6.003 6.408 ( 1.177 -2.114 2.512) 3.488 6.444 ( 4.091 5.141 -4.334) 7.871 6.555 ( 0.523 -5.001 -2.643) 5.681 6.619 ( 1.718 -3.826 -2.744) 5.012 6.645 ( 2.505 -6.856 -6.378) 9.693 6.706 ( 2.548 -8.034 -5.168) 9.887 7.052 ( -1.233 1.373 1.321) 2.269 7.081 ( 2.248 -0.012 0.099) 2.250 7.101 ( -0.914 -0.795 5.186) 5.326 7.141 ( 2.164 -3.088 1.841) 4.196 7.169 ( -1.833 0.527 3.097) 3.637 7.192 ( -0.190 -1.613 3.729) 4.067 7.320 ( -0.716 2.175 3.576) 4.246 7.353 ( -1.104 -0.906 4.191) 4.428 7.436 ( 0.318 1.391 0.832) 1.652 7.462 ( 0.395 -1.340 2.559) 2.915 7.584 ( -5.570 0.944 0.041) 5.649 7.602 ( -4.246 -0.669 -0.139) 4.301 7.755 ( -3.168 5.029 7.577) 9.630 7.849 ( -2.977 0.804 5.617) 6.408 7.866 ( -0.595 -3.520 6.236) 7.185 7.889 ( -1.675 -1.886 0.162) 2.528 8.209 ( 0.115 1.990 3.706) 4.208 8.256 ( -0.198 -2.651 2.766) 3.836 8.313 ( -0.067 1.370 0.816) 1.596 8.338 ( -0.223 -1.023 0.719) 1.270 8.556 ( -0.092 1.436 1.076) 1.797 8.570 ( 0.339 0.954 -1.246) 1.606 8.656 ( -0.541 2.920 -5.152) 5.947 8.721 ( 1.442 -2.533 -4.095) 5.026 8.902 ( -1.050 7.140 1.821) 7.443 8.956 ( 0.678 2.410 0.313) 2.523 9.029 ( 0.146 2.180 1.061) 2.429 9.080 ( -1.196 -2.346 -0.220) 2.642 9.443 ( 0.059 1.665 0.535) 1.750 9.452 ( 0.788 0.870 0.503) 1.277 9.678 ( -0.190 2.003 0.787) 2.160 9.714 ( 1.383 -1.202 0.203) 1.843 10.065 ( -0.725 2.272 1.137) 2.642 10.079 ( -0.931 0.672 0.652) 1.320 10.202 ( 0.628 2.610 -1.070) 2.890 10.224 ( 0.603 0.412 -1.396) 1.576 ======================= Grid point 64 (35/55) ======================= q-point: (-0.25 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 1.103 2.513 -3.250) 4.253 1.136 ( -0.586 -0.469 -3.688) 3.764 1.612 ( -4.432 6.832 4.934) 9.521 1.673 ( -1.330 0.689 2.747) 3.129 1.838 ( 4.533 4.200 3.472) 7.089 1.862 ( 3.049 2.009 0.870) 3.754 1.934 ( 1.915 4.465 4.225) 6.438 1.965 ( 0.438 0.150 -2.738) 2.777 2.015 ( 2.100 0.110 2.099) 2.971 2.043 ( -1.509 -0.700 6.245) 6.462 2.169 ( -3.627 2.979 2.220) 5.192 2.205 ( -1.382 -0.313 4.189) 4.422 2.277 ( 3.908 2.361 1.810) 4.912 2.293 ( -1.098 1.685 0.716) 2.135 2.367 ( -1.017 0.343 0.208) 1.093 2.382 ( -1.889 -0.286 -0.784) 2.065 2.530 ( 0.337 3.480 -4.451) 5.660 2.540 ( -0.187 5.777 1.059) 5.877 2.562 ( 0.260 1.427 -2.969) 3.304 2.603 ( -1.002 -0.218 -0.437) 1.115 2.691 ( -2.102 4.922 -0.632) 5.389 2.748 ( 0.747 -0.521 -0.366) 0.981 2.858 ( -0.132 3.516 -5.699) 6.698 2.897 ( -0.733 1.417 -3.771) 4.094 2.926 ( -3.441 3.103 -0.244) 4.640 2.994 ( 0.625 -1.076 0.724) 1.439 3.101 ( -3.886 4.501 5.816) 8.318 3.189 ( 0.048 -3.263 6.658) 7.414 3.458 ( 3.188 4.930 1.893) 6.169 3.532 ( 2.212 -1.358 0.250) 2.608 3.608 ( -3.257 4.833 2.287) 6.261 3.718 ( -5.934 -3.477 5.092) 8.557 3.752 ( -3.807 1.037 10.019) 10.768 3.790 ( -7.452 -1.048 11.824) 14.016 3.878 ( -1.823 3.536 7.684) 8.653 3.918 ( -2.011 -0.162 7.753) 8.011 4.082 ( 1.174 2.603 -0.412) 2.885 4.136 ( -1.307 -1.878 2.376) 3.299 4.220 ( -1.326 1.611 -0.119) 2.089 4.230 ( -2.428 0.370 -1.725) 3.001 4.280 ( 3.215 3.144 -0.678) 4.548 4.309 ( 6.041 3.380 0.349) 6.931 4.335 ( 1.136 -1.039 -0.068) 1.541 4.412 ( 6.152 -6.229 -1.550) 8.891 4.898 ( 6.411 8.169 -9.447) 14.039 4.928 ( 5.380 3.142 -10.969) 12.614 4.981 ( 3.506 9.757 -8.046) 13.123 5.106 ( 5.067 -0.247 -12.315) 13.319 5.155 ( 2.513 12.783 0.104) 13.028 5.214 ( 0.423 2.906 0.189) 2.943 5.347 ( -4.288 3.506 -3.100) 6.348 5.397 ( 2.529 5.441 -5.428) 8.091 5.459 ( -3.602 1.581 -0.871) 4.029 5.514 ( -0.742 2.753 -0.642) 2.922 5.585 ( 3.728 1.917 0.008) 4.192 5.600 ( -2.728 2.577 3.645) 5.232 5.727 ( 1.254 9.738 -3.612) 10.462 5.732 ( 2.196 7.392 -7.952) 11.077 5.832 ( -1.255 3.052 -9.592) 10.143 5.910 ( 3.798 7.543 1.550) 8.586 5.939 ( -2.528 2.664 -4.935) 6.151 5.993 ( -5.023 5.221 0.158) 7.247 6.108 ( -1.680 -1.730 5.047) 5.594 6.191 ( -4.131 -7.436 7.348) 11.241 6.272 ( -2.565 -7.275 7.975) 11.095 6.298 ( -2.052 -7.492 1.604) 7.932 6.465 ( 2.972 4.004 -0.648) 5.029 6.491 ( 3.869 7.745 -4.744) 9.872 6.548 ( 0.666 -5.662 -1.300) 5.847 6.592 ( -1.068 -1.672 -3.052) 3.640 6.683 ( 5.833 -8.392 -8.194) 13.099 6.731 ( 2.981 -10.064 -2.820) 10.868 7.029 ( -1.978 0.472 0.622) 2.126 7.055 ( -3.685 -2.039 1.407) 4.440 7.137 ( -1.210 -0.557 1.305) 1.865 7.140 ( -1.063 -0.753 2.658) 2.960 7.199 ( 2.773 2.396 3.775) 5.261 7.253 ( 1.937 -2.446 3.731) 4.864 7.327 ( -1.484 1.495 4.093) 4.603 7.355 ( -2.604 -0.973 4.182) 5.022 7.428 ( -7.761 1.437 0.285) 7.898 7.451 ( -2.330 -0.268 1.226) 2.647 7.510 ( 0.308 1.261 1.508) 1.990 7.551 ( 1.336 -2.152 2.921) 3.866 7.735 ( -3.585 3.470 5.211) 7.214 7.801 ( -4.631 -2.434 4.386) 6.827 7.885 ( 0.692 3.607 4.083) 5.492 7.962 ( 2.031 -3.526 6.041) 7.284 8.241 ( 0.445 1.416 2.714) 3.093 8.278 ( 0.100 -2.086 2.961) 3.624 8.319 ( 0.152 0.550 0.534) 0.781 8.337 ( -0.530 -0.866 0.398) 1.090 8.557 ( -0.674 1.058 1.040) 1.629 8.565 ( 0.773 1.556 -1.968) 2.625 8.622 ( 0.349 3.949 -3.538) 5.314 8.714 ( 1.449 -3.664 -4.890) 6.280 8.879 ( -2.116 5.939 1.707) 6.532 8.945 ( -1.999 -0.692 0.197) 2.125 9.047 ( 0.871 3.879 1.601) 4.286 9.067 ( -0.336 1.748 -0.154) 1.787 9.464 ( 1.682 1.880 0.313) 2.542 9.481 ( 1.443 0.146 0.300) 1.481 9.672 ( -0.937 3.012 0.550) 3.201 9.733 ( 0.485 -2.793 -0.420) 2.866 10.060 ( -0.642 2.301 1.156) 2.653 10.072 ( -0.371 1.005 1.109) 1.542 10.204 ( 0.354 2.303 -0.996) 2.534 10.222 ( 0.319 0.543 -1.559) 1.682 ======================= Grid point 81 (36/55) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -3.122 0.000 16.331) 16.627 0.853 ( 4.207 0.000 17.457) 17.957 0.993 ( 1.961 0.000 -8.887) 9.101 1.071 ( -3.943 0.000 -4.884) 6.277 1.309 ( -2.185 0.000 4.989) 5.447 1.311 ( -4.354 0.000 2.490) 5.016 1.575 ( -1.602 0.000 2.117) 2.655 1.614 ( 6.106 0.000 2.811) 6.722 1.731 ( 3.754 0.000 5.174) 6.392 1.761 ( 7.614 0.000 2.780) 8.106 1.814 ( -6.793 0.000 2.049) 7.095 1.868 ( -12.891 0.000 18.943) 22.913 1.892 ( -0.458 0.000 -6.533) 6.549 1.981 ( 2.163 0.000 2.189) 3.077 2.021 ( -2.206 0.000 -2.151) 3.081 2.110 ( -0.166 0.000 7.805) 7.807 2.137 ( -3.659 0.000 -2.795) 4.605 2.152 ( -2.190 0.000 9.806) 10.048 2.304 ( 5.034 0.000 -14.939) 15.765 2.406 ( 1.154 0.000 -12.249) 12.303 2.433 ( 0.111 0.000 4.929) 4.930 2.452 ( -2.365 0.000 8.734) 9.049 2.564 ( -0.618 0.000 -8.775) 8.796 2.603 ( 2.392 0.000 -7.864) 8.219 2.711 ( -2.797 0.000 5.168) 5.877 2.810 ( 8.337 0.000 -4.332) 9.395 2.954 ( -10.682 0.000 0.173) 10.684 3.005 ( 5.619 0.000 -5.147) 7.620 3.112 ( 2.819 0.000 5.341) 6.039 3.192 ( -13.832 0.000 9.293) 16.663 3.224 ( 0.753 0.000 -5.969) 6.016 3.308 ( 9.495 0.000 -3.305) 10.054 3.333 ( -4.237 0.000 2.355) 4.848 3.431 ( 0.348 0.000 -6.876) 6.885 3.591 ( -0.274 0.000 7.430) 7.435 3.630 ( -2.802 0.000 9.316) 9.729 3.709 ( 1.682 0.000 -4.322) 4.637 3.776 ( -2.968 0.000 -5.244) 6.026 3.890 ( 5.915 0.000 5.920) 8.368 3.947 ( 4.764 0.000 1.340) 4.949 4.064 ( -10.147 0.000 8.713) 13.375 4.075 ( -0.284 0.000 -0.873) 0.918 4.195 ( -4.350 0.000 13.937) 14.600 4.334 ( 8.706 0.000 4.406) 9.757 4.415 ( -3.498 0.000 10.890) 11.438 4.467 ( -7.658 0.000 4.144) 8.707 4.499 ( 2.954 0.000 -0.274) 2.966 4.519 ( -4.788 0.000 -0.467) 4.810 4.654 ( 6.671 0.000 -19.530) 20.638 4.706 ( -6.476 0.000 7.946) 10.251 4.793 ( -0.546 0.000 -12.746) 12.758 4.961 ( 6.931 0.000 -20.264) 21.417 5.027 ( -1.046 0.000 6.128) 6.217 5.082 ( 9.465 0.000 6.309) 11.375 5.118 ( 3.467 0.000 -7.185) 7.977 5.220 ( 1.921 0.000 7.327) 7.575 5.265 ( -8.759 0.000 -12.973) 15.653 5.447 ( 14.751 0.000 -8.955) 17.257 5.511 ( -8.952 0.000 -6.431) 11.023 5.529 ( -4.530 0.000 -2.304) 5.082 5.591 ( 5.128 0.000 5.842) 7.774 5.715 ( 1.640 0.000 -6.335) 6.543 6.210 ( 9.848 0.000 4.264) 10.731 6.295 ( -9.409 0.000 -4.248) 10.323 6.823 ( -1.063 0.000 0.760) 1.307 6.825 ( -0.598 0.000 1.371) 1.496 6.903 ( 0.209 0.000 0.438) 0.485 6.926 ( 1.298 0.000 1.698) 2.137 6.947 ( -1.745 0.000 -0.438) 1.799 6.954 ( 0.086 0.000 -3.190) 3.191 6.997 ( 0.713 0.000 2.316) 2.423 6.998 ( -2.529 0.000 0.912) 2.689 7.039 ( -1.660 0.000 0.619) 1.772 7.058 ( 0.069 0.000 -0.794) 0.797 7.123 ( -1.787 0.000 0.561) 1.873 7.128 ( 2.499 0.000 0.022) 2.499 7.285 ( -1.606 0.000 1.604) 2.270 7.300 ( 0.220 0.000 0.219) 0.310 7.312 ( -0.559 0.000 0.533) 0.772 7.326 ( -0.050 0.000 -0.755) 0.757 7.436 ( 0.401 0.000 3.237) 3.262 7.455 ( -1.542 0.000 1.631) 2.244 7.510 ( -2.394 0.000 1.492) 2.821 7.512 ( 3.364 0.000 1.822) 3.826 7.626 ( -1.071 0.000 4.876) 4.992 7.666 ( -1.709 0.000 1.375) 2.193 7.717 ( -0.044 0.000 1.906) 1.907 7.732 ( -0.560 0.000 0.036) 0.561 7.911 ( -5.253 0.000 9.453) 10.814 8.000 ( -6.050 0.000 6.764) 9.075 8.094 ( -0.481 0.000 -4.108) 4.136 8.122 ( 6.013 0.000 -10.115) 11.767 8.252 ( -0.293 0.000 3.898) 3.909 8.318 ( 3.157 0.000 -3.702) 4.865 8.632 ( -11.729 0.000 9.021) 14.797 8.658 ( -1.060 0.000 2.704) 2.904 8.731 ( 0.901 0.000 0.717) 1.151 8.871 ( 6.563 0.000 -6.853) 9.489 9.118 ( -8.553 0.000 10.093) 13.230 9.268 ( 11.987 0.000 -4.365) 12.757 9.413 ( 1.779 0.000 1.788) 2.522 9.454 ( -2.519 0.000 -2.449) 3.513 9.620 ( 1.193 0.000 0.713) 1.390 9.626 ( 0.417 0.000 0.079) 0.425 9.790 ( 1.081 0.000 4.822) 4.942 9.906 ( 0.470 0.000 -6.748) 6.765 9.931 ( -4.408 0.000 5.004) 6.669 10.021 ( 4.336 0.000 -4.124) 5.984 ======================= Grid point 82 (37/55) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 3.184 0.000 13.634) 14.001 0.966 ( 5.641 0.000 -5.432) 7.832 1.038 ( 1.075 0.000 0.467) 1.172 1.130 ( -11.022 0.000 -1.313) 11.100 1.139 ( 13.499 0.000 4.333) 14.178 1.222 ( -11.487 0.000 4.360) 12.287 1.609 ( -10.007 0.000 -2.847) 10.404 1.691 ( 4.811 0.000 -1.668) 5.092 1.721 ( -6.684 0.000 5.062) 8.384 1.745 ( -0.340 0.000 -4.385) 4.399 1.796 ( 5.851 0.000 6.926) 9.067 1.893 ( 2.029 0.000 0.092) 2.031 1.917 ( -0.938 0.000 17.323) 17.348 1.970 ( 0.530 0.000 -2.442) 2.499 2.027 ( -0.090 0.000 2.518) 2.520 2.069 ( -4.125 0.000 -0.328) 4.138 2.135 ( -5.629 0.000 13.171) 14.323 2.179 ( -3.965 0.000 7.852) 8.797 2.303 ( -2.451 0.000 -7.795) 8.171 2.327 ( 6.863 0.000 -13.339) 15.001 2.440 ( -3.575 0.000 5.388) 6.466 2.483 ( -0.783 0.000 10.399) 10.429 2.511 ( 1.804 0.000 -11.196) 11.341 2.630 ( 6.476 0.000 -8.434) 10.633 2.643 ( -8.269 0.000 -3.094) 8.829 2.758 ( -5.515 0.000 10.376) 11.751 2.839 ( 0.481 0.000 -6.497) 6.515 3.019 ( -11.836 0.000 10.454) 15.792 3.049 ( 4.869 0.000 -2.722) 5.578 3.167 ( -3.404 0.000 -7.167) 7.934 3.233 ( 4.972 0.000 4.808) 6.916 3.354 ( 0.845 0.000 6.244) 6.301 3.419 ( 7.254 0.000 -3.191) 7.925 3.508 ( 4.308 0.000 -1.324) 4.507 3.581 ( -5.189 0.000 6.962) 8.683 3.664 ( 1.283 0.000 -7.931) 8.034 3.734 ( 3.772 0.000 13.426) 13.946 3.746 ( 2.221 0.000 -5.977) 6.377 3.926 ( -6.029 0.000 -3.832) 7.144 3.956 ( 2.214 0.000 -6.226) 6.608 4.027 ( 3.753 0.000 12.782) 13.322 4.176 ( 6.286 0.000 5.299) 8.221 4.178 ( -10.336 0.000 -1.640) 10.465 4.373 ( 0.177 0.000 14.818) 14.819 4.442 ( -5.434 0.000 9.727) 11.142 4.467 ( -1.578 0.000 2.552) 3.000 4.523 ( 2.115 0.000 0.007) 2.115 4.581 ( 5.852 0.000 5.480) 8.018 4.595 ( -5.784 0.000 -5.067) 7.689 4.668 ( 8.816 0.000 -21.545) 23.279 4.704 ( -2.701 0.000 10.541) 10.882 4.871 ( -5.916 0.000 -11.214) 12.678 5.036 ( -2.819 0.000 6.010) 6.639 5.084 ( 1.761 0.000 -14.426) 14.533 5.106 ( 5.262 0.000 -18.886) 19.605 5.112 ( -9.394 0.000 3.841) 10.148 5.263 ( -0.976 0.000 6.403) 6.477 5.363 ( -0.550 0.000 -7.797) 7.816 5.519 ( 2.327 0.000 4.973) 5.490 5.605 ( 8.549 0.000 -6.177) 10.547 5.726 ( 4.711 0.000 -8.331) 9.571 5.752 ( 4.172 0.000 -3.165) 5.237 6.146 ( 0.146 0.000 -0.690) 0.705 6.384 ( 4.840 0.000 3.228) 5.818 6.822 ( 0.127 0.000 1.262) 1.268 6.839 ( 0.573 0.000 2.724) 2.784 6.889 ( -1.052 0.000 0.027) 1.052 6.900 ( -0.517 0.000 0.488) 0.711 6.950 ( -1.109 0.000 -1.249) 1.670 6.958 ( -0.245 0.000 -0.418) 0.484 6.996 ( 1.560 0.000 -0.449) 1.623 7.017 ( -1.314 0.000 3.755) 3.978 7.042 ( 1.805 0.000 0.718) 1.943 7.078 ( 1.872 0.000 -0.128) 1.877 7.118 ( 1.595 0.000 0.915) 1.839 7.174 ( 2.813 0.000 -0.308) 2.830 7.268 ( -1.665 0.000 2.387) 2.910 7.307 ( 0.042 0.000 0.656) 0.658 7.307 ( -0.489 0.000 1.302) 1.391 7.328 ( 0.766 0.000 -0.181) 0.787 7.434 ( -1.826 0.000 0.108) 1.830 7.442 ( -3.608 0.000 2.022) 4.136 7.477 ( -0.412 0.000 1.282) 1.346 7.547 ( 0.172 0.000 -0.141) 0.222 7.636 ( -3.422 0.000 8.241) 8.923 7.696 ( 4.453 0.000 1.172) 4.605 7.714 ( -1.040 0.000 -0.368) 1.103 7.742 ( 1.765 0.000 1.358) 2.227 7.822 ( -9.628 0.000 9.150) 13.283 7.982 ( -5.606 0.000 -4.210) 7.010 8.002 ( -1.522 0.000 9.392) 9.514 8.207 ( 5.797 0.000 -5.288) 7.846 8.240 ( -2.498 0.000 1.787) 3.071 8.342 ( 3.406 0.000 -5.986) 6.887 8.616 ( -1.124 0.000 13.870) 13.916 8.652 ( -1.852 0.000 2.114) 2.810 8.737 ( -0.409 0.000 -1.507) 1.562 8.914 ( 1.916 0.000 -3.825) 4.278 9.045 ( -4.364 0.000 5.165) 6.762 9.345 ( 3.510 0.000 -3.927) 5.267 9.421 ( 0.814 0.000 -1.409) 1.627 9.490 ( 3.587 0.000 -4.099) 5.447 9.620 ( -0.376 0.000 -1.664) 1.706 9.621 ( -0.863 0.000 -0.551) 1.024 9.829 ( -1.466 0.000 3.829) 4.100 9.859 ( 0.671 0.000 -7.892) 7.920 9.890 ( -2.849 0.000 5.410) 6.114 10.045 ( 1.560 0.000 -4.459) 4.724 ======================= Grid point 83 (38/55) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -14.948 0.000 10.355) 18.184 0.983 ( -13.767 0.000 2.891) 14.067 1.005 ( 7.256 0.000 7.426) 10.382 1.079 ( 7.372 0.000 -3.455) 8.142 1.224 ( 10.784 0.000 2.202) 11.006 1.318 ( -4.330 0.000 -3.402) 5.506 1.425 ( 0.230 0.000 -0.260) 0.347 1.531 ( -5.589 0.000 -8.708) 10.347 1.722 ( 1.703 0.000 7.961) 8.141 1.798 ( -4.037 0.000 -1.940) 4.479 1.884 ( -9.919 0.000 15.041) 18.017 1.938 ( -8.203 0.000 13.069) 15.430 1.966 ( 0.246 0.000 1.087) 1.114 1.995 ( -0.779 0.000 0.365) 0.860 2.012 ( 0.206 0.000 3.590) 3.596 2.072 ( -4.433 0.000 0.430) 4.453 2.092 ( 17.507 0.000 -1.024) 17.537 2.126 ( -6.319 0.000 11.678) 13.278 2.243 ( 1.239 0.000 -4.472) 4.641 2.341 ( 4.803 0.000 -12.952) 13.814 2.383 ( -2.928 0.000 -1.230) 3.176 2.486 ( 3.932 0.000 -11.164) 11.836 2.523 ( -6.653 0.000 7.278) 9.861 2.607 ( 3.025 0.000 9.147) 9.634 2.686 ( 6.037 0.000 -9.272) 11.064 2.784 ( -0.493 0.000 -8.542) 8.556 2.818 ( 0.176 0.000 11.730) 11.732 3.041 ( 6.687 0.000 10.692) 12.611 3.043 ( 1.353 0.000 -10.544) 10.630 3.137 ( 0.029 0.000 -1.496) 1.496 3.302 ( -0.305 0.000 3.684) 3.697 3.390 ( -2.418 0.000 6.609) 7.037 3.408 ( -3.340 0.000 -6.776) 7.554 3.506 ( 2.557 0.000 -3.479) 4.318 3.550 ( -2.643 0.000 8.652) 9.047 3.687 ( 1.441 0.000 -5.422) 5.610 3.712 ( -10.395 0.000 3.628) 11.010 3.770 ( 5.173 0.000 -4.372) 6.773 3.928 ( -14.440 0.000 5.109) 15.317 3.997 ( 7.185 0.000 -3.732) 8.096 4.022 ( 10.739 0.000 10.661) 15.132 4.195 ( -10.973 0.000 -3.337) 11.470 4.246 ( 7.203 0.000 11.389) 13.476 4.363 ( -10.927 0.000 12.894) 16.901 4.399 ( -11.052 0.000 -2.597) 11.353 4.443 ( -4.233 0.000 4.488) 6.169 4.448 ( 1.158 0.000 0.261) 1.187 4.529 ( 7.101 0.000 3.220) 7.797 4.635 ( -0.366 0.000 -4.806) 4.819 4.722 ( 11.791 0.000 -18.067) 21.574 4.742 ( -0.288 0.000 8.749) 8.754 4.955 ( -6.577 0.000 0.409) 6.589 4.958 ( 12.335 0.000 -4.809) 13.239 5.049 ( -3.600 0.000 7.199) 8.049 5.071 ( 5.707 0.000 -19.536) 20.352 5.102 ( 11.446 0.000 -8.508) 14.262 5.183 ( -11.986 0.000 3.638) 12.526 5.373 ( 8.057 0.000 -8.006) 11.358 5.560 ( -3.068 0.000 3.919) 4.977 5.652 ( 1.571 0.000 -4.772) 5.024 5.698 ( -0.402 0.000 -3.437) 3.460 5.717 ( 0.608 0.000 -9.119) 9.139 6.305 ( 10.156 0.000 4.270) 11.017 6.365 ( -7.653 0.000 -1.335) 7.769 6.853 ( 1.824 0.000 2.882) 3.411 6.871 ( 0.345 0.000 3.414) 3.431 6.878 ( -1.478 0.000 0.743) 1.655 6.901 ( 0.656 0.000 -0.742) 0.991 6.913 ( -2.959 0.000 -2.082) 3.618 6.939 ( 1.332 0.000 -1.749) 2.198 7.004 ( -2.260 0.000 1.922) 2.966 7.026 ( 2.515 0.000 -0.946) 2.687 7.068 ( 0.111 0.000 1.299) 1.304 7.093 ( 0.073 0.000 -1.370) 1.372 7.162 ( 0.219 0.000 2.495) 2.505 7.203 ( 0.532 0.000 -1.639) 1.723 7.282 ( 1.423 0.000 2.238) 2.652 7.301 ( -0.953 0.000 0.243) 0.984 7.311 ( -0.874 0.000 2.290) 2.451 7.355 ( 2.380 0.000 -0.845) 2.525 7.384 ( -2.547 0.000 1.674) 3.048 7.397 ( -1.814 0.000 -0.722) 1.952 7.500 ( 0.660 0.000 2.539) 2.624 7.525 ( -2.865 0.000 0.604) 2.928 7.609 ( -6.428 0.000 11.883) 13.511 7.707 ( 0.345 0.000 0.456) 0.571 7.753 ( -4.115 0.000 4.211) 5.888 7.805 ( 3.530 0.000 3.404) 4.904 7.818 ( 7.599 0.000 -0.799) 7.641 7.859 ( -4.844 0.000 -2.459) 5.433 8.041 ( -2.856 0.000 12.250) 12.578 8.221 ( -1.181 0.000 2.132) 2.437 8.242 ( 2.473 0.000 -4.420) 5.065 8.332 ( 1.769 0.000 -11.337) 11.475 8.637 ( -1.027 0.000 2.932) 3.107 8.701 ( 0.476 0.000 -2.406) 2.452 8.742 ( 4.221 0.000 11.057) 11.835 8.855 ( -5.295 0.000 0.751) 5.348 9.099 ( 3.272 0.000 7.556) 8.234 9.337 ( -5.629 0.000 -15.702) 16.681 9.404 ( -3.804 0.000 2.182) 4.385 9.457 ( 4.356 0.000 -2.339) 4.945 9.592 ( -2.100 0.000 0.095) 2.102 9.614 ( 0.580 0.000 -1.617) 1.717 9.789 ( -3.838 0.000 2.431) 4.544 9.858 ( 4.363 0.000 -5.220) 6.803 9.919 ( 0.177 0.000 5.843) 5.846 10.021 ( -0.345 0.000 -4.717) 4.730 ======================= Grid point 84 (39/55) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -10.353 0.000 14.555) 17.862 0.791 ( -11.846 0.000 15.449) 19.468 1.102 ( -8.230 0.000 -7.485) 11.125 1.150 ( 1.480 0.000 3.169) 3.498 1.225 ( 10.649 0.000 -5.212) 11.856 1.279 ( -0.950 0.000 -0.187) 0.969 1.521 ( -1.047 0.000 17.567) 17.598 1.561 ( 10.487 0.000 -1.199) 10.556 1.704 ( -7.501 0.000 3.592) 8.316 1.717 ( -7.080 0.000 -0.741) 7.119 1.826 ( 2.641 0.000 4.075) 4.856 1.907 ( 0.569 0.000 -5.925) 5.952 1.948 ( -3.799 0.000 12.097) 12.679 1.990 ( -8.389 0.000 5.366) 9.958 2.030 ( 0.641 0.000 2.294) 2.382 2.058 ( 0.219 0.000 7.276) 7.279 2.119 ( -1.781 0.000 7.890) 8.089 2.219 ( 0.042 0.000 -8.099) 8.099 2.300 ( 5.894 0.000 -7.800) 9.777 2.383 ( 1.709 0.000 2.939) 3.400 2.437 ( 8.131 0.000 -14.587) 16.700 2.463 ( -5.856 0.000 8.382) 10.225 2.518 ( 12.273 0.000 0.858) 12.303 2.662 ( -1.187 0.000 -9.869) 9.940 2.690 ( -0.120 0.000 8.381) 8.382 2.714 ( 1.380 0.000 -10.974) 11.061 2.933 ( 4.642 0.000 7.891) 9.155 2.994 ( 0.881 0.000 -13.254) 13.283 3.120 ( -2.917 0.000 -0.045) 2.917 3.151 ( 8.700 0.000 -2.696) 9.108 3.309 ( -6.261 0.000 7.636) 9.875 3.317 ( -4.941 0.000 -4.393) 6.611 3.472 ( 8.021 0.000 8.253) 11.509 3.502 ( -13.127 0.000 2.279) 13.324 3.509 ( 0.624 0.000 -8.455) 8.478 3.622 ( -0.602 0.000 8.016) 8.038 3.679 ( 3.044 0.000 -2.839) 4.162 3.793 ( -5.948 0.000 10.367) 11.952 3.819 ( 1.259 0.000 4.268) 4.450 3.950 ( -8.455 0.000 -7.879) 11.557 4.137 ( 4.850 0.000 -0.546) 4.881 4.180 ( -10.437 0.000 16.658) 19.657 4.201 ( -3.057 0.000 -2.766) 4.123 4.269 ( -6.850 0.000 1.945) 7.121 4.333 ( -2.301 0.000 17.110) 17.264 4.441 ( 1.914 0.000 8.626) 8.836 4.486 ( 0.123 0.000 -1.152) 1.158 4.641 ( -1.717 0.000 0.453) 1.775 4.652 ( 6.473 0.000 -10.883) 12.663 4.799 ( 10.025 0.000 -16.713) 19.489 4.810 ( -4.662 0.000 2.894) 5.487 4.869 ( 5.199 0.000 2.785) 5.898 4.983 ( 6.426 0.000 -21.400) 22.344 5.006 ( 0.368 0.000 -3.904) 3.921 5.079 ( 5.137 0.000 -5.543) 7.557 5.107 ( -1.481 0.000 13.857) 13.936 5.275 ( 12.061 0.000 -8.232) 14.603 5.467 ( 1.155 0.000 -14.745) 14.790 5.534 ( -2.229 0.000 4.267) 4.815 5.618 ( -0.454 0.000 0.642) 0.787 5.657 ( -4.983 0.000 -0.555) 5.014 5.684 ( 3.972 0.000 -3.495) 5.291 6.179 ( -8.549 0.000 -3.046) 9.075 6.411 ( -0.947 0.000 0.404) 1.030 6.846 ( -2.339 0.000 -0.747) 2.456 6.847 ( -2.067 0.000 0.676) 2.175 6.895 ( -0.246 0.000 1.233) 1.257 6.910 ( 2.061 0.000 1.843) 2.765 6.911 ( 0.520 0.000 0.552) 0.759 6.961 ( 2.260 0.000 -1.306) 2.610 6.982 ( -0.864 0.000 1.377) 1.625 7.054 ( -0.134 0.000 -0.854) 0.865 7.064 ( -1.574 0.000 1.234) 2.000 7.069 ( 0.015 0.000 -2.110) 2.111 7.148 ( -4.619 0.000 -2.262) 5.143 7.153 ( -2.323 0.000 1.720) 2.891 7.296 ( 0.247 0.000 -0.090) 0.263 7.301 ( -1.416 0.000 1.394) 1.987 7.311 ( 0.258 0.000 1.018) 1.050 7.347 ( -1.078 0.000 -2.480) 2.704 7.399 ( 1.072 0.000 3.612) 3.768 7.424 ( 3.743 0.000 2.832) 4.694 7.479 ( -3.029 0.000 2.676) 4.042 7.521 ( -0.372 0.000 2.257) 2.288 7.608 ( -1.885 0.000 7.568) 7.799 7.719 ( -1.254 0.000 -0.791) 1.482 7.723 ( -1.809 0.000 1.414) 2.297 7.736 ( -4.123 0.000 1.818) 4.506 7.882 ( 1.359 0.000 5.824) 5.980 7.980 ( 10.569 0.000 -4.955) 11.673 8.055 ( -5.683 0.000 11.687) 12.996 8.215 ( -1.010 0.000 -10.399) 10.448 8.224 ( -0.521 0.000 3.638) 3.675 8.293 ( 2.517 0.000 -5.632) 6.169 8.653 ( -0.621 0.000 3.812) 3.862 8.695 ( 1.739 0.000 -2.529) 3.070 8.816 ( 1.968 0.000 -2.070) 2.856 8.870 ( -7.655 0.000 1.691) 7.840 9.081 ( 0.558 0.000 -1.306) 1.420 9.163 ( -4.059 0.000 10.887) 11.619 9.407 ( -0.181 0.000 0.422) 0.459 9.501 ( 0.961 0.000 -3.577) 3.704 9.578 ( 0.937 0.000 2.489) 2.660 9.616 ( 0.494 0.000 -0.066) 0.499 9.761 ( -1.220 0.000 2.945) 3.188 9.908 ( 4.179 0.000 -4.410) 6.075 9.948 ( -1.616 0.000 5.589) 5.818 9.992 ( 1.443 0.000 -4.795) 5.007 ======================= Grid point 85 (40/55) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 5.993 4.257 14.954) 16.663 0.993 ( -3.668 10.186 9.417) 14.348 1.126 ( 0.796 10.732 -1.538) 10.871 1.231 ( -2.592 18.602 -6.932) 20.020 1.400 ( -4.113 9.065 5.704) 11.473 1.448 ( 0.334 11.755 -0.497) 11.770 1.629 ( -5.096 5.938 3.200) 8.454 1.709 ( 5.449 4.741 -4.769) 8.655 1.757 ( 4.142 6.240 8.613) 11.414 1.839 ( -2.991 3.451 2.663) 5.287 1.860 ( -1.641 4.341 8.871) 10.012 1.906 ( -1.851 5.934 2.572) 6.727 1.993 ( -1.294 10.806 4.541) 11.793 2.035 ( -1.824 3.107 4.729) 5.945 2.072 ( -2.019 5.445 -1.861) 6.098 2.118 ( -3.006 2.835 4.890) 6.403 2.171 ( 0.087 4.645 2.650) 5.348 2.190 ( -1.991 3.761 1.363) 4.468 2.291 ( 4.950 0.558 -11.202) 12.260 2.360 ( 0.928 -1.501 -9.693) 9.852 2.428 ( 1.708 0.215 1.909) 2.570 2.509 ( -0.202 -2.266 -4.942) 5.440 2.567 ( -3.317 2.760 0.048) 4.316 2.624 ( 1.671 1.084 -2.739) 3.386 2.740 ( -2.325 7.143 5.265) 9.173 2.821 ( 4.165 3.628 -2.353) 6.004 3.008 ( -2.818 0.601 -0.661) 2.956 3.049 ( 1.413 4.787 -3.751) 6.244 3.230 ( 4.307 11.316 4.819) 13.032 3.270 ( -10.917 6.851 4.436) 13.630 3.346 ( -2.793 9.970 1.334) 10.439 3.378 ( -2.852 7.459 1.899) 8.208 3.445 ( 4.678 9.938 -3.271) 11.461 3.491 ( 1.501 8.536 -7.639) 11.553 3.650 ( 0.591 3.507 8.611) 9.316 3.704 ( -5.078 7.601 8.745) 12.650 3.774 ( 1.303 1.128 -1.331) 2.178 3.829 ( 0.435 9.174 -5.831) 10.879 3.963 ( 5.741 4.838 5.622) 9.379 4.035 ( 2.505 9.076 0.122) 9.416 4.100 ( -8.218 4.031 4.946) 10.405 4.109 ( -0.010 5.187 0.203) 5.191 4.235 ( -4.040 3.861 12.083) 13.312 4.345 ( 6.873 1.337 4.156) 8.143 4.431 ( -5.195 0.700 1.644) 5.494 4.473 ( -3.546 2.703 9.389) 10.394 4.499 ( -2.745 -1.199 0.985) 3.153 4.508 ( -0.518 1.413 1.959) 2.470 4.651 ( 4.115 -0.125 -10.067) 10.876 4.724 ( -2.952 2.085 -1.588) 3.947 4.795 ( -1.550 0.665 -9.179) 9.333 4.942 ( 7.166 -1.081 -18.294) 19.677 5.067 ( 3.753 1.987 -1.326) 4.449 5.094 ( 3.615 3.313 8.201) 9.555 5.132 ( 4.263 1.492 -7.828) 9.038 5.246 ( -0.873 2.021 2.411) 3.265 5.287 ( -3.967 2.912 -6.769) 8.369 5.450 ( 10.096 0.586 -4.169) 10.939 5.509 ( -7.312 -0.532 -5.749) 9.317 5.536 ( -1.151 1.627 -6.695) 6.985 5.622 ( 2.537 2.915 4.985) 6.308 5.726 ( 2.445 1.076 -5.262) 5.901 6.190 ( 9.079 -1.868 3.296) 9.838 6.258 ( -8.724 -3.348 -3.393) 9.941 6.766 ( -1.085 -3.854 3.634) 5.407 6.810 ( -0.544 -3.844 0.031) 3.882 6.869 ( 0.610 -2.900 0.376) 2.988 6.875 ( -0.200 -3.095 0.017) 3.102 6.910 ( -2.080 -5.038 1.547) 5.666 6.943 ( 0.908 -6.221 1.866) 6.558 6.964 ( -0.398 -2.393 -1.288) 2.746 6.981 ( -1.264 -1.650 -1.955) 2.853 7.009 ( 0.598 0.198 1.007) 1.188 7.042 ( -1.312 -0.875 -1.859) 2.438 7.131 ( -0.051 1.155 2.537) 2.788 7.164 ( 0.311 2.241 -1.020) 2.482 7.268 ( -1.327 -1.026 1.208) 2.067 7.275 ( -0.456 -0.769 0.519) 1.034 7.345 ( -1.223 1.876 2.658) 3.476 7.385 ( -0.366 3.393 -0.866) 3.520 7.449 ( 0.738 0.687 3.408) 3.554 7.467 ( -1.957 0.500 2.049) 2.877 7.535 ( -0.292 2.455 1.647) 2.970 7.547 ( 1.772 2.497 0.719) 3.146 7.657 ( -2.245 4.457 5.241) 7.237 7.723 ( -0.420 4.518 0.177) 4.541 7.803 ( -0.531 7.877 2.164) 8.186 7.823 ( 0.023 8.675 -0.637) 8.698 7.988 ( -2.831 7.500 8.529) 11.705 8.045 ( -5.033 4.703 5.266) 8.670 8.111 ( 2.126 2.422 -1.466) 3.540 8.164 ( 1.858 4.380 -8.722) 9.936 8.260 ( -0.145 0.764 3.675) 3.756 8.329 ( 2.809 1.113 -3.915) 4.946 8.619 ( -7.883 -1.210 5.749) 9.831 8.652 ( -2.094 -0.550 2.033) 2.970 8.735 ( -0.967 0.584 1.965) 2.267 8.861 ( 6.270 -0.828 -5.979) 8.703 9.066 ( -7.514 -4.520 7.887) 11.794 9.166 ( 10.670 -7.658 -0.758) 13.156 9.416 ( 0.710 0.669 1.486) 1.778 9.457 ( -2.490 0.087 -2.419) 3.473 9.640 ( 3.097 0.628 1.025) 3.323 9.650 ( -1.817 1.745 -0.130) 2.523 9.824 ( 0.862 3.528 4.330) 5.651 9.929 ( -0.637 2.498 -6.184) 6.700 9.977 ( -3.181 3.737 2.192) 5.375 10.027 ( 4.292 0.777 -2.599) 5.078 ======================= Grid point 86 (41/55) ======================= q-point: ( 0.25 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -0.379 2.862 1.954) 3.486 1.123 ( 7.512 7.964 5.401) 12.207 1.185 ( 3.531 9.656 -6.518) 12.173 1.201 ( 2.661 10.972 2.096) 11.483 1.296 ( -5.304 18.399 3.141) 19.405 1.355 ( -9.688 13.622 5.085) 17.472 1.681 ( -5.807 3.008 0.849) 6.594 1.708 ( 2.426 2.383 4.974) 6.025 1.768 ( -5.718 7.367 -5.065) 10.612 1.838 ( 7.312 2.446 0.867) 7.759 1.861 ( -0.913 9.267 0.961) 9.361 1.923 ( -1.830 5.033 9.178) 10.626 1.988 ( -1.917 7.764 3.228) 8.625 2.024 ( -0.499 3.757 4.361) 5.778 2.082 ( -0.515 4.747 2.509) 5.394 2.108 ( -3.520 2.798 4.960) 6.695 2.139 ( -2.985 4.316 3.722) 6.433 2.202 ( -2.650 3.522 4.154) 6.057 2.305 ( 1.467 1.240 -7.200) 7.452 2.315 ( 4.774 0.452 -8.761) 9.987 2.424 ( -5.000 -0.498 2.460) 5.594 2.457 ( -0.116 -3.605 -7.680) 8.485 2.555 ( 1.587 4.110 3.594) 5.685 2.627 ( -1.890 1.379 -1.022) 2.553 2.713 ( -4.339 2.930 -1.680) 5.499 2.821 ( 2.315 9.274 6.707) 11.677 2.945 ( 2.885 10.589 -5.558) 12.302 3.078 ( -3.590 3.120 5.876) 7.560 3.159 ( -3.582 10.230 3.332) 11.340 3.256 ( -4.009 8.856 -3.660) 10.387 3.353 ( -1.792 3.688 1.919) 4.527 3.384 ( 3.411 10.090 5.422) 11.952 3.494 ( 6.549 6.211 -0.843) 9.065 3.550 ( 0.797 8.775 -1.000) 8.868 3.654 ( 0.812 0.521 -0.150) 0.976 3.710 ( -3.379 5.822 3.870) 7.765 3.799 ( 6.608 4.698 6.417) 10.340 3.878 ( 4.038 12.873 -2.536) 13.728 3.977 ( -4.608 4.744 -4.868) 8.212 4.006 ( -1.612 5.626 -3.225) 6.682 4.093 ( 4.231 6.158 8.990) 11.690 4.183 ( -5.998 2.360 0.694) 6.483 4.198 ( 1.002 1.838 2.413) 3.194 4.402 ( 2.698 1.206 8.932) 9.408 4.454 ( -4.328 0.461 3.300) 5.462 4.468 ( -5.668 4.194 12.340) 14.212 4.516 ( 1.394 -0.056 -0.008) 1.395 4.564 ( 9.182 -1.776 4.521) 10.387 4.594 ( -10.018 0.708 -2.551) 10.362 4.685 ( 6.266 2.044 -17.432) 18.636 4.724 ( 0.582 2.262 4.912) 5.439 4.887 ( -1.909 1.313 -11.865) 12.089 5.023 ( -5.726 -1.165 -2.923) 6.534 5.086 ( 1.218 1.875 -8.562) 8.850 5.126 ( -0.509 3.946 -0.758) 4.050 5.169 ( -1.618 3.548 -10.235) 10.952 5.301 ( 0.550 2.733 3.984) 4.863 5.385 ( -1.306 2.943 -2.957) 4.371 5.527 ( 1.749 1.220 2.430) 3.233 5.616 ( 8.029 1.111 -5.994) 10.081 5.686 ( 4.862 -2.623 -4.624) 7.205 5.774 ( 1.878 1.185 -6.240) 6.623 6.134 ( 1.413 -1.059 -0.053) 1.766 6.353 ( 5.052 -3.003 2.358) 6.333 6.783 ( -0.365 -3.751 4.410) 5.801 6.811 ( 0.859 -3.474 -0.422) 3.603 6.866 ( -2.751 -4.447 0.873) 5.302 6.885 ( 2.402 -1.162 -1.165) 2.911 6.906 ( 0.569 -4.745 2.797) 5.537 6.928 ( -2.169 -2.202 1.430) 3.405 6.948 ( -1.054 -3.180 -1.316) 3.600 6.981 ( 0.843 -5.268 0.733) 5.385 7.013 ( -0.915 -1.353 0.633) 1.752 7.033 ( 1.237 -1.803 -0.831) 2.339 7.159 ( 2.485 2.042 1.188) 3.429 7.192 ( 2.359 1.399 -0.369) 2.767 7.258 ( -0.958 0.274 2.170) 2.388 7.286 ( 0.629 -1.125 1.219) 1.774 7.341 ( -1.153 1.477 4.031) 4.445 7.375 ( -0.581 3.104 0.102) 3.159 7.430 ( -2.865 0.140 0.148) 2.872 7.471 ( -1.795 1.468 2.112) 3.136 7.523 ( -0.234 3.785 0.727) 3.861 7.576 ( 0.905 1.448 -0.579) 1.803 7.659 ( -2.320 4.123 7.516) 8.881 7.752 ( 3.256 5.206 -0.352) 6.150 7.792 ( -1.286 5.110 1.473) 5.471 7.836 ( 1.304 9.340 -0.033) 9.431 7.920 ( -7.595 9.843 5.437) 13.570 8.020 ( -5.588 4.509 -2.699) 7.671 8.059 ( -1.608 6.075 7.834) 10.043 8.217 ( 4.164 1.291 -3.494) 5.587 8.254 ( -1.636 1.231 1.398) 2.479 8.350 ( 3.357 0.831 -5.796) 6.749 8.598 ( -1.320 -1.636 11.713) 11.900 8.646 ( -1.631 -0.382 2.652) 3.136 8.729 ( -0.276 -0.776 -1.383) 1.610 8.899 ( -0.406 -1.331 -3.169) 3.461 9.006 ( -1.433 -2.973 3.263) 4.641 9.273 ( 4.922 -7.155 -6.456) 10.821 9.400 ( -0.516 -1.273 -0.031) 1.374 9.494 ( 3.326 2.702 1.749) 4.628 9.598 ( -3.180 -2.278 -2.143) 4.460 9.673 ( 0.237 1.957 -0.163) 1.978 9.835 ( -1.579 2.228 0.393) 2.759 9.909 ( 0.945 3.917 -1.669) 4.361 9.928 ( -2.304 3.741 1.419) 4.617 10.056 ( 1.316 1.059 -3.188) 3.608 ======================= Grid point 87 (42/55) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -8.870 3.576 8.724) 12.945 1.097 ( -7.450 3.247 0.355) 8.135 1.122 ( -4.149 13.653 1.190) 14.319 1.222 ( 7.096 11.722 -3.836) 14.229 1.402 ( 3.543 10.370 4.696) 11.922 1.405 ( 8.432 12.959 5.104) 16.281 1.577 ( -2.046 5.154 -6.955) 8.895 1.588 ( -6.099 16.049 -5.852) 18.138 1.752 ( -1.231 3.662 9.100) 9.887 1.852 ( -1.965 4.698 -2.171) 5.536 1.910 ( -7.561 3.180 11.533) 14.152 1.988 ( -2.225 5.718 6.258) 8.764 1.994 ( -1.765 2.255 5.624) 6.311 2.040 ( -2.844 6.242 2.513) 7.305 2.095 ( -1.184 4.860 4.409) 6.668 2.101 ( 4.715 1.588 5.271) 7.248 2.141 ( -4.566 6.910 -1.135) 8.359 2.167 ( 7.394 5.310 2.992) 9.582 2.267 ( -0.554 3.472 -3.246) 4.785 2.324 ( -1.897 -3.665 -0.683) 4.183 2.327 ( 3.072 0.496 -9.395) 9.897 2.422 ( 3.903 -4.011 -11.581) 12.862 2.574 ( -2.798 2.504 2.387) 4.450 2.640 ( 3.028 -0.874 -2.755) 4.186 2.725 ( 0.029 7.532 10.406) 12.846 2.896 ( -0.637 11.265 -5.047) 12.360 2.975 ( 3.645 10.674 4.192) 12.033 3.097 ( 2.760 6.490 2.378) 7.443 3.147 ( -0.786 9.003 -1.058) 9.099 3.187 ( 1.197 7.219 -0.086) 7.318 3.334 ( -1.645 1.055 2.886) 3.485 3.412 ( -0.515 4.699 0.289) 4.736 3.515 ( -2.223 9.968 -0.424) 10.222 3.556 ( 0.180 7.594 -1.919) 7.835 3.677 ( -1.450 4.978 5.240) 7.372 3.738 ( 1.201 3.505 4.713) 5.995 3.809 ( -8.001 8.595 -0.989) 11.784 3.910 ( 2.710 12.206 -5.927) 13.837 3.981 ( -7.823 8.343 3.082) 11.846 4.001 ( 4.093 0.871 3.089) 5.201 4.062 ( 8.107 4.063 4.703) 10.215 4.198 ( -8.290 0.534 -3.759) 9.118 4.270 ( 3.876 2.866 10.375) 11.440 4.374 ( -7.896 -0.084 5.400) 9.566 4.412 ( -3.519 2.115 5.546) 6.900 4.451 ( -4.274 1.453 3.603) 5.776 4.462 ( -4.347 2.891 -1.860) 5.542 4.538 ( 5.221 1.235 2.112) 5.766 4.625 ( 0.479 -0.757 -3.156) 3.281 4.701 ( 3.802 -1.738 -3.170) 5.246 4.767 ( 4.613 2.646 -3.061) 6.136 4.903 ( 3.374 -1.046 -6.886) 7.739 5.020 ( 4.289 3.252 -2.730) 6.035 5.064 ( 1.388 1.964 -11.121) 11.378 5.076 ( 1.260 1.485 0.925) 2.155 5.152 ( 8.915 5.325 -7.935) 13.069 5.239 ( -10.426 4.468 2.314) 11.577 5.397 ( 6.974 2.528 -5.426) 9.191 5.552 ( -2.425 -0.360 3.052) 3.915 5.641 ( 2.119 -1.271 -5.316) 5.862 5.698 ( -2.270 0.333 -3.105) 3.861 5.720 ( 2.087 0.497 -8.536) 8.802 6.284 ( 8.470 -1.995 4.118) 9.627 6.344 ( -6.378 -2.094 -1.553) 6.890 6.809 ( -0.456 -4.529 4.501) 6.401 6.819 ( -2.968 -4.918 1.688) 5.987 6.833 ( 1.283 -3.363 0.556) 3.642 6.889 ( -0.821 -2.172 -2.553) 3.451 6.922 ( 0.393 -2.995 1.068) 3.204 6.931 ( -0.814 -2.391 0.963) 2.703 6.945 ( 1.974 -3.727 0.901) 4.312 6.981 ( 0.117 -3.071 -0.474) 3.110 7.018 ( 0.491 -3.155 0.519) 3.235 7.044 ( 0.763 -2.475 -2.000) 3.272 7.187 ( -1.004 1.261 1.178) 1.996 7.215 ( 0.692 0.635 -1.357) 1.650 7.293 ( 2.399 1.998 3.534) 4.715 7.310 ( 0.494 -0.640 3.841) 3.925 7.338 ( -2.186 2.735 0.302) 3.515 7.362 ( -2.264 -0.326 -0.371) 2.318 7.394 ( 0.800 1.832 1.568) 2.541 7.434 ( -1.735 2.762 -0.924) 3.390 7.541 ( -0.284 2.344 3.213) 3.988 7.568 ( -2.183 2.667 0.962) 3.578 7.663 ( -4.586 4.762 9.795) 11.817 7.783 ( 0.501 2.619 1.458) 3.039 7.816 ( 0.140 8.592 1.072) 8.660 7.850 ( 2.476 7.570 -0.044) 7.965 7.893 ( -6.634 4.643 -0.411) 8.107 7.899 ( 3.956 7.434 -0.694) 8.450 8.091 ( -2.914 5.147 11.082) 12.562 8.235 ( -1.039 1.325 2.149) 2.730 8.255 ( 2.348 1.397 -3.400) 4.362 8.347 ( 2.203 1.509 -10.392) 10.729 8.633 ( -1.090 -0.537 3.305) 3.521 8.685 ( 1.748 -1.751 2.323) 3.394 8.726 ( 1.950 -1.014 5.511) 5.933 8.826 ( -4.437 -2.609 0.246) 5.153 9.063 ( 2.619 -2.724 5.219) 6.444 9.225 ( -6.156 -7.576 -10.334) 14.216 9.419 ( -0.034 0.777 2.660) 2.771 9.476 ( 0.274 0.563 -2.871) 2.938 9.599 ( 1.031 0.206 1.439) 1.782 9.640 ( -1.395 2.162 -2.328) 3.470 9.825 ( -2.084 3.507 2.456) 4.761 9.885 ( 2.545 3.097 -3.573) 5.369 9.961 ( 1.356 3.531 3.062) 4.867 10.034 ( -0.727 1.471 -3.862) 4.196 ======================= Grid point 88 (43/55) ======================= q-point: (-0.25 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -10.639 4.396 13.287) 17.580 0.992 ( -6.583 14.503 11.648) 19.732 1.162 ( -0.145 3.315 0.053) 3.318 1.305 ( 3.974 8.789 -5.275) 10.994 1.369 ( -2.367 18.039 -2.138) 18.319 1.448 ( -0.406 13.897 -2.920) 14.206 1.594 ( 5.620 6.489 9.192) 12.577 1.656 ( 5.785 8.347 1.486) 10.264 1.764 ( -7.113 6.345 1.386) 9.632 1.795 ( -4.948 9.228 2.907) 10.867 1.847 ( 1.141 2.213 7.861) 8.246 1.938 ( -1.543 2.261 -4.089) 4.921 1.986 ( -5.525 4.281 10.776) 12.844 2.041 ( -2.698 1.743 7.883) 8.513 2.086 ( 0.107 9.946 2.281) 10.205 2.125 ( -0.729 3.156 4.582) 5.611 2.138 ( 0.180 5.957 1.064) 6.054 2.242 ( -0.606 2.253 -4.589) 5.148 2.286 ( 3.816 -0.897 -7.665) 8.609 2.342 ( 4.365 -1.092 -2.064) 4.950 2.409 ( 4.109 -1.128 -9.068) 10.019 2.476 ( 9.466 -1.113 0.586) 9.549 2.567 ( 2.612 3.078 2.052) 4.529 2.633 ( -0.429 -1.504 -3.911) 4.212 2.757 ( -3.876 8.512 9.470) 13.310 2.790 ( -3.233 6.856 -7.055) 10.355 3.020 ( -1.581 4.866 -9.718) 10.983 3.086 ( 3.765 6.658 4.911) 9.089 3.149 ( -1.685 8.631 -0.641) 8.817 3.293 ( 8.965 12.166 -0.951) 15.142 3.391 ( 0.537 4.232 1.575) 4.548 3.431 ( -3.476 9.120 -1.035) 9.815 3.471 ( -4.396 4.249 -1.696) 6.345 3.505 ( 1.790 3.433 10.154) 10.867 3.608 ( -6.114 8.569 -4.441) 11.424 3.731 ( -0.604 5.061 3.050) 5.940 3.772 ( -4.385 9.295 8.141) 13.111 3.840 ( -3.071 4.091 7.296) 8.910 3.961 ( -7.856 1.370 -6.665) 10.393 3.982 ( 2.754 16.933 -0.934) 17.181 4.124 ( 2.947 -1.162 1.016) 3.327 4.189 ( -3.528 1.696 7.251) 8.241 4.267 ( -4.948 5.668 2.362) 7.886 4.294 ( -7.492 3.311 5.708) 9.984 4.395 ( -0.511 7.174 11.180) 13.294 4.421 ( 1.433 -1.471 7.858) 8.122 4.490 ( 1.020 0.453 -1.057) 1.537 4.609 ( -1.539 -2.795 0.806) 3.291 4.646 ( 3.007 -0.324 -6.042) 6.757 4.765 ( 6.640 -2.711 -9.304) 11.748 4.825 ( 1.002 0.865 0.362) 1.372 4.896 ( 5.978 3.376 -9.497) 11.719 4.992 ( 1.134 2.010 -8.528) 8.835 5.034 ( 5.663 2.984 -11.895) 13.508 5.092 ( 5.388 1.370 -2.432) 6.068 5.147 ( -2.279 3.883 7.749) 8.962 5.316 ( 10.019 4.132 -5.565) 12.183 5.489 ( -2.919 2.039 -11.593) 12.127 5.543 ( 1.796 1.222 2.188) 3.083 5.595 ( -1.342 -1.761 -1.181) 2.509 5.667 ( 1.994 0.528 4.810) 5.234 5.682 ( -1.236 0.310 -7.095) 7.208 6.171 ( -8.190 -0.706 -3.043) 8.766 6.368 ( -1.726 -3.948 0.823) 4.387 6.777 ( -2.578 -4.166 2.343) 5.430 6.824 ( -1.659 -3.989 2.555) 5.020 6.858 ( 0.633 -3.821 0.837) 3.962 6.878 ( 0.906 -3.364 -0.785) 3.571 6.914 ( -0.688 -4.253 0.080) 4.309 6.930 ( -0.771 -4.153 2.274) 4.797 6.967 ( 1.274 0.063 -2.015) 2.385 7.001 ( 0.895 -4.363 -0.807) 4.526 7.016 ( -0.807 -2.465 -0.770) 2.705 7.041 ( 1.672 -0.797 -1.282) 2.252 7.150 ( -3.595 1.082 1.267) 3.963 7.198 ( -2.087 1.765 -0.902) 2.879 7.290 ( -2.202 0.082 -0.525) 2.265 7.300 ( -2.417 0.184 0.475) 2.470 7.336 ( 0.315 2.060 2.427) 3.199 7.384 ( 1.862 0.730 2.441) 3.156 7.410 ( 0.383 2.005 -0.584) 2.123 7.449 ( 2.632 2.038 3.422) 4.774 7.518 ( -3.408 2.587 3.287) 5.396 7.552 ( -1.216 2.052 1.898) 3.049 7.655 ( -2.057 4.384 5.661) 7.449 7.769 ( -4.332 4.918 0.033) 6.554 7.800 ( -1.757 6.406 2.961) 7.273 7.823 ( 0.433 9.307 -0.251) 9.320 7.934 ( 2.846 5.490 4.990) 7.946 8.005 ( 8.491 4.238 -2.437) 9.798 8.094 ( -5.154 3.607 9.520) 11.411 8.234 ( -0.482 1.404 1.901) 2.411 8.249 ( -0.963 2.834 -6.447) 7.108 8.310 ( 2.308 1.853 -6.125) 6.803 8.642 ( -1.077 -1.068 3.503) 3.817 8.688 ( 1.080 -0.831 -2.191) 2.580 8.790 ( 1.070 -2.338 -2.092) 3.315 8.849 ( -1.895 -2.235 3.567) 4.617 9.014 ( -2.816 -3.741 0.381) 4.698 9.112 ( -3.253 -4.222 7.917) 9.544 9.404 ( -0.299 -0.087 -0.231) 0.387 9.538 ( -2.662 2.207 -2.653) 4.359 9.557 ( 3.938 -1.672 1.762) 4.627 9.659 ( 0.893 3.513 0.546) 3.665 9.799 ( -1.314 3.785 2.171) 4.557 9.943 ( 4.983 2.910 -3.024) 6.515 9.991 ( -0.558 2.612 1.758) 3.198 9.993 ( -0.337 1.690 -2.922) 3.392 ======================= Grid point 89 (44/55) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 5.568 5.139 7.809) 10.881 1.057 ( -2.969 1.392 0.958) 3.417 1.379 ( -0.555 11.026 8.052) 13.664 1.501 ( 1.300 8.678 -5.537) 10.376 1.609 ( -6.721 8.862 3.112) 11.550 1.667 ( 4.573 8.134 -1.954) 9.534 1.765 ( 0.728 6.820 3.699) 7.793 1.829 ( -4.473 8.341 -2.871) 9.891 1.891 ( -8.534 7.302 6.698) 13.077 1.961 ( -0.316 5.519 5.714) 7.951 2.008 ( 5.282 13.619 0.421) 14.613 2.061 ( 3.892 7.701 2.389) 8.953 2.098 ( -3.514 4.852 4.383) 7.423 2.197 ( -1.748 4.029 -1.225) 4.559 2.207 ( -1.970 8.946 4.315) 10.126 2.209 ( -1.085 5.997 -3.383) 6.970 2.270 ( 1.869 4.140 -4.088) 6.111 2.313 ( 0.417 5.846 -1.091) 5.962 2.360 ( 1.255 6.681 0.939) 6.863 2.432 ( 0.154 9.603 -3.352) 10.173 2.455 ( 2.180 1.952 -0.274) 2.939 2.498 ( -1.437 3.517 -3.780) 5.360 2.613 ( 1.372 3.882 -0.433) 4.140 2.656 ( -0.556 2.463 -4.013) 4.741 2.892 ( 3.553 2.316 2.674) 5.014 2.935 ( -0.330 7.568 -0.057) 7.576 3.014 ( -5.047 2.918 7.048) 9.147 3.156 ( 2.233 4.537 -4.175) 6.558 3.357 ( -6.839 4.135 4.334) 9.091 3.440 ( -1.183 7.128 -2.262) 7.571 3.572 ( -3.088 8.834 8.530) 12.662 3.600 ( 0.225 11.202 4.330) 12.012 3.704 ( -0.565 16.375 -0.220) 16.386 3.744 ( -1.588 10.955 -0.656) 11.089 3.769 ( 0.105 7.992 3.133) 8.585 3.807 ( 0.670 7.841 0.444) 7.882 3.883 ( -1.459 11.580 5.850) 13.055 3.971 ( 0.896 4.500 -3.177) 5.581 4.055 ( 7.503 4.962 6.483) 11.088 4.161 ( -1.105 4.781 -0.858) 4.981 4.192 ( -5.060 3.219 4.763) 7.659 4.319 ( -1.574 10.667 -3.974) 11.491 4.367 ( -3.218 2.365 6.307) 7.465 4.416 ( -1.401 10.525 6.619) 12.512 4.440 ( -3.000 1.204 -0.112) 3.235 4.487 ( 1.578 0.641 -3.979) 4.328 4.514 ( 0.137 7.006 2.204) 7.346 4.657 ( 2.229 1.137 -1.963) 3.180 4.733 ( -1.304 16.637 2.004) 16.808 4.807 ( 6.449 3.771 -0.424) 7.483 4.818 ( -1.159 5.405 -8.235) 9.918 4.964 ( 1.990 4.398 -17.561) 18.212 5.117 ( 2.734 5.106 -1.831) 6.074 5.193 ( 5.434 5.920 -9.088) 12.131 5.230 ( 3.867 9.274 3.003) 10.487 5.306 ( -6.079 4.594 -1.157) 7.707 5.372 ( 4.134 4.391 -0.488) 6.050 5.477 ( 1.553 1.871 -3.451) 4.222 5.516 ( -4.781 3.358 -0.030) 5.843 5.609 ( 0.557 5.451 -7.506) 9.293 5.698 ( 0.452 4.861 1.957) 5.259 5.758 ( 5.417 2.357 -3.172) 6.705 6.150 ( 6.039 -1.649 0.770) 6.307 6.184 ( -6.266 -3.604 -2.390) 7.613 6.661 ( -2.127 -7.133 5.209) 9.085 6.703 ( -1.835 -6.540 2.729) 7.320 6.764 ( -2.411 -8.721 2.365) 9.352 6.779 ( 1.313 -8.359 2.417) 8.800 6.784 ( 0.470 -6.945 0.096) 6.961 6.810 ( 2.064 -4.068 -2.140) 5.039 6.866 ( -0.110 -7.580 -1.982) 7.835 6.908 ( 1.012 -4.458 -4.777) 6.611 7.030 ( 1.123 1.048 -0.644) 1.666 7.039 ( -3.418 -0.179 -1.369) 3.687 7.157 ( -1.269 1.227 3.327) 3.766 7.199 ( 1.362 1.017 -1.193) 2.077 7.241 ( -0.550 -1.233 2.758) 3.071 7.272 ( -2.244 -0.187 -0.206) 2.261 7.378 ( -2.246 0.966 5.229) 5.773 7.425 ( -0.753 1.001 0.966) 1.582 7.451 ( -1.156 -0.751 3.169) 3.456 7.474 ( 0.991 0.713 -0.638) 1.378 7.574 ( 0.205 1.602 1.390) 2.131 7.591 ( 1.239 1.947 0.346) 2.334 7.753 ( -0.857 3.812 5.846) 7.031 7.806 ( -1.820 2.887 1.510) 3.732 7.944 ( -1.693 4.690 4.158) 6.492 8.014 ( -0.113 8.402 -3.927) 9.275 8.151 ( -1.869 7.742 6.044) 9.998 8.181 ( 2.462 8.184 4.708) 9.757 8.265 ( 1.159 7.944 -1.170) 8.113 8.274 ( -3.274 8.290 -1.119) 8.984 8.284 ( 0.493 3.378 1.908) 3.911 8.377 ( 1.758 5.318 -4.679) 7.298 8.595 ( -4.315 -0.874 2.683) 5.156 8.637 ( 0.031 -0.999 -0.715) 1.229 8.769 ( -3.485 3.426 2.663) 5.566 8.853 ( 5.561 0.558 -2.906) 6.299 8.970 ( -4.338 -4.478 4.463) 7.667 9.040 ( 5.983 -4.467 -0.252) 7.471 9.432 ( 1.142 0.783 0.816) 1.607 9.458 ( -2.116 0.095 -1.720) 2.728 9.640 ( 2.864 -0.053 2.039) 3.517 9.679 ( -3.466 1.162 -1.952) 4.144 9.919 ( 0.395 5.666 3.465) 6.653 9.993 ( -0.474 3.764 -3.696) 5.296 10.054 ( -1.428 3.376 0.109) 3.667 10.064 ( 2.693 3.492 -1.157) 4.558 ======================= Grid point 90 (45/55) ======================= q-point: ( 0.25 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -0.945 1.497 -0.237) 1.786 1.164 ( 7.324 0.365 -2.023) 7.607 1.388 ( -3.090 10.098 3.253) 11.050 1.469 ( -0.323 11.461 -2.239) 11.682 1.528 ( -5.855 8.274 3.339) 10.672 1.715 ( -0.465 13.539 1.492) 13.629 1.759 ( -3.542 5.765 0.478) 6.783 1.796 ( -3.381 6.572 9.257) 11.846 1.865 ( 2.746 3.216 4.704) 6.326 1.932 ( -1.136 8.554 -0.710) 8.659 2.058 ( -0.230 5.844 -0.249) 5.854 2.092 ( 0.068 9.682 0.272) 9.686 2.103 ( 0.970 8.347 6.901) 10.874 2.141 ( -3.201 6.348 -2.115) 7.417 2.183 ( -2.922 5.685 3.228) 7.161 2.212 ( -0.008 6.911 1.219) 7.018 2.247 ( -0.255 3.861 -1.424) 4.123 2.338 ( 0.476 4.023 0.592) 4.094 2.374 ( -0.505 7.872 -2.815) 8.375 2.407 ( -0.064 6.940 -6.146) 9.271 2.429 ( -0.224 4.859 -3.431) 5.952 2.478 ( -1.105 6.245 2.783) 6.926 2.615 ( 0.902 2.879 -1.476) 3.358 2.697 ( 2.906 5.449 -1.504) 6.356 2.797 ( -5.517 5.623 1.189) 7.967 3.031 ( 5.508 2.989 -1.660) 6.482 3.049 ( 1.095 6.654 7.611) 10.169 3.161 ( 0.489 3.022 0.265) 3.073 3.319 ( -0.930 5.964 4.760) 7.687 3.449 ( -1.618 6.897 6.408) 9.552 3.539 ( -2.480 8.706 2.499) 9.391 3.637 ( -2.178 15.875 -4.258) 16.580 3.648 ( -1.174 11.717 3.308) 12.231 3.751 ( -1.905 9.822 1.886) 10.181 3.795 ( -0.882 3.874 2.174) 4.528 3.825 ( 3.272 17.667 0.404) 17.972 3.903 ( 2.247 6.611 7.946) 10.578 4.022 ( 5.974 2.666 -1.458) 6.703 4.062 ( -0.609 2.317 -6.490) 6.918 4.104 ( -11.191 2.219 7.264) 13.525 4.233 ( 5.075 5.100 3.338) 7.931 4.279 ( -2.813 8.547 1.513) 9.124 4.352 ( -1.188 7.657 -2.769) 8.229 4.410 ( -1.756 0.777 9.109) 9.309 4.469 ( -1.192 1.906 4.454) 4.989 4.517 ( 4.166 1.064 -3.760) 5.712 4.566 ( 3.095 7.903 0.365) 8.496 4.619 ( -6.053 1.439 1.059) 6.311 4.708 ( -3.506 10.392 -0.579) 10.983 4.781 ( 1.866 12.224 -3.552) 12.866 4.822 ( 3.221 8.630 -7.756) 12.042 4.923 ( 5.425 4.235 -10.620) 12.655 5.062 ( -6.067 5.611 1.116) 8.339 5.166 ( 1.134 7.174 -12.735) 14.661 5.259 ( 5.884 8.290 -8.283) 13.113 5.275 ( -4.521 8.935 1.571) 10.136 5.334 ( -0.525 1.329 2.364) 2.763 5.499 ( -1.535 7.490 3.575) 8.440 5.581 ( -0.107 3.871 0.074) 3.874 5.637 ( 9.119 -0.291 -3.434) 9.748 5.661 ( 1.482 2.780 -6.409) 7.141 5.802 ( -0.075 2.236 -7.700) 8.018 6.115 ( 3.388 -0.569 1.042) 3.589 6.278 ( 5.037 -4.153 0.606) 6.556 6.666 ( -1.517 -8.265 4.976) 9.766 6.702 ( -1.261 -6.896 3.978) 8.060 6.740 ( -1.090 -7.640 0.541) 7.736 6.790 ( -0.569 -7.965 1.548) 8.134 6.813 ( -0.134 -6.933 3.843) 7.928 6.835 ( 2.660 -5.012 -4.549) 7.272 6.862 ( 1.888 -6.627 -2.036) 7.185 6.878 ( -1.460 -4.517 -3.668) 5.999 6.992 ( -0.543 -0.109 1.164) 1.289 7.038 ( -0.715 1.395 0.576) 1.670 7.180 ( 2.128 0.076 2.048) 2.954 7.215 ( 0.899 0.504 -1.181) 1.567 7.254 ( 0.005 -0.943 1.776) 2.011 7.280 ( 1.854 0.309 3.247) 3.751 7.365 ( -3.018 0.310 5.701) 6.458 7.403 ( -2.700 0.760 2.201) 3.566 7.449 ( -0.033 0.967 -0.474) 1.078 7.485 ( -0.601 0.293 1.009) 1.210 7.584 ( -0.407 2.178 -0.204) 2.225 7.603 ( 1.103 1.421 -0.983) 2.050 7.734 ( -3.251 2.837 5.441) 6.944 7.858 ( 2.968 3.085 3.281) 5.394 7.884 ( -5.005 4.470 1.569) 6.892 8.029 ( 2.329 8.670 -1.062) 9.040 8.151 ( -1.962 9.987 1.979) 10.368 8.165 ( -7.657 8.143 1.459) 11.272 8.248 ( 1.427 10.983 2.846) 11.436 8.281 ( -1.669 2.279 1.826) 3.363 8.285 ( 1.237 6.084 -1.550) 6.399 8.386 ( 2.810 4.503 -4.849) 7.190 8.564 ( -1.876 -1.339 6.400) 6.802 8.650 ( 0.332 0.873 2.216) 2.405 8.716 ( -1.636 0.552 -0.930) 1.961 8.865 ( -5.522 -1.954 -1.231) 5.985 8.968 ( 4.463 -0.482 0.798) 4.559 9.135 ( 4.555 -5.576 -4.389) 8.432 9.394 ( -1.091 0.439 0.300) 1.214 9.502 ( 1.811 -2.487 0.753) 3.167 9.601 ( -2.513 3.376 -1.143) 4.361 9.684 ( 0.049 -0.178 2.292) 2.300 9.917 ( -1.426 5.416 0.746) 5.650 10.000 ( 2.321 4.863 -0.114) 5.390 10.010 ( -2.602 4.141 -1.465) 5.105 10.091 ( 1.087 2.681 -1.472) 3.246 ======================= Grid point 91 (46/55) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -1.325 0.958 4.560) 4.844 1.124 ( -5.995 0.397 -4.956) 7.788 1.373 ( -2.210 11.648 3.628) 12.398 1.451 ( 0.532 9.697 -3.953) 10.485 1.540 ( 5.011 8.429 5.821) 11.404 1.653 ( -3.109 7.471 -4.774) 9.396 1.769 ( 1.339 8.141 3.039) 8.793 1.802 ( -0.849 9.681 9.426) 13.538 1.872 ( -1.419 3.243 2.324) 4.235 2.012 ( -2.016 11.796 -5.550) 13.192 2.033 ( 2.467 7.386 4.862) 9.180 2.085 ( -2.205 7.278 1.595) 7.770 2.123 ( -3.831 6.095 8.688) 11.282 2.163 ( -1.585 7.422 4.269) 8.708 2.177 ( 0.906 6.203 2.152) 6.628 2.202 ( 1.459 4.665 -1.180) 5.028 2.267 ( 0.665 5.731 -1.882) 6.069 2.302 ( 2.738 2.022 1.173) 3.600 2.341 ( -0.955 9.648 -4.463) 10.673 2.365 ( -0.885 2.192 -5.234) 5.743 2.419 ( 1.950 9.425 -1.350) 9.719 2.437 ( 0.125 9.052 -4.299) 10.022 2.642 ( 0.760 3.888 -0.055) 3.962 2.658 ( -1.667 4.092 -2.158) 4.917 2.850 ( 2.267 5.092 9.675) 11.165 3.017 ( -3.267 1.823 -6.617) 7.601 3.136 ( 2.428 4.655 5.010) 7.257 3.193 ( 0.544 0.628 0.807) 1.158 3.368 ( -2.499 7.958 8.641) 12.010 3.403 ( -0.317 10.287 3.640) 10.916 3.502 ( -0.161 14.306 -0.828) 14.331 3.593 ( -1.304 13.946 -4.074) 14.587 3.674 ( 0.608 8.611 4.182) 9.592 3.743 ( -0.168 10.200 -2.810) 10.582 3.827 ( -3.162 12.061 5.343) 13.565 3.875 ( 3.008 9.532 4.597) 11.002 3.934 ( -5.109 3.681 4.697) 7.856 3.981 ( 0.491 1.793 -2.576) 3.176 4.077 ( -1.262 6.195 4.863) 7.976 4.135 ( -1.535 2.292 6.710) 7.255 4.214 ( -3.458 1.374 -2.422) 4.439 4.254 ( 5.597 4.408 -4.924) 8.660 4.365 ( -1.869 6.182 6.772) 9.358 4.390 ( -5.935 2.628 6.605) 9.260 4.469 ( 0.049 7.495 3.574) 8.304 4.511 ( 0.760 2.638 -3.276) 4.274 4.569 ( 1.946 3.831 -6.387) 7.698 4.596 ( 0.163 2.547 -3.421) 4.268 4.622 ( -2.540 3.407 2.743) 5.058 4.775 ( 0.980 12.486 -5.864) 13.829 4.875 ( 3.611 11.840 -1.927) 12.527 4.968 ( 6.386 8.719 -6.953) 12.851 5.105 ( 2.773 6.084 -4.334) 7.968 5.127 ( 6.122 5.929 -6.546) 10.747 5.188 ( -2.862 9.085 -2.129) 9.760 5.297 ( 5.776 8.947 -8.419) 13.576 5.324 ( -6.567 4.189 6.867) 10.384 5.473 ( 1.037 4.837 -1.213) 5.093 5.576 ( 0.291 3.407 -0.223) 3.426 5.609 ( 0.334 -1.385 -4.419) 4.643 5.722 ( -1.639 2.171 -2.152) 3.468 5.753 ( 3.221 3.559 -8.846) 10.064 6.234 ( 4.641 -2.725 3.372) 6.351 6.289 ( -3.069 -3.153 -1.999) 4.833 6.670 ( -1.579 -8.856 4.153) 9.908 6.707 ( -1.110 -6.573 4.097) 7.825 6.738 ( -0.376 -6.607 1.635) 6.817 6.787 ( -1.441 -8.605 2.738) 9.144 6.816 ( -0.755 -5.980 -4.348) 7.433 6.822 ( -1.818 -6.115 2.904) 7.009 6.848 ( 1.515 -6.971 -1.827) 7.364 6.896 ( 3.364 -5.428 -3.554) 7.308 7.019 ( 2.125 1.057 0.240) 2.386 7.032 ( 0.269 1.199 -0.845) 1.491 7.203 ( -0.517 0.130 0.332) 0.628 7.218 ( 0.000 -0.553 -0.762) 0.942 7.284 ( -0.758 -1.464 3.676) 4.029 7.317 ( 0.539 -1.015 2.116) 2.408 7.378 ( -1.047 3.095 2.329) 4.013 7.382 ( -0.236 0.987 6.027) 6.112 7.443 ( 0.381 2.752 -2.029) 3.440 7.470 ( -1.279 0.639 0.362) 1.475 7.561 ( -2.135 0.268 2.257) 3.119 7.602 ( -1.129 0.597 -0.443) 1.352 7.737 ( -3.745 2.938 8.478) 9.722 7.823 ( 0.934 1.701 -0.434) 1.989 7.920 ( -1.728 3.446 3.833) 5.437 8.052 ( 2.910 9.964 -5.743) 11.863 8.068 ( -3.550 8.263 6.738) 11.237 8.126 ( -1.385 12.198 -0.090) 12.277 8.258 ( -2.015 6.593 2.387) 7.296 8.283 ( -0.454 9.023 3.403) 9.655 8.297 ( 1.341 3.142 -1.635) 3.787 8.396 ( 2.568 3.841 -6.564) 8.027 8.601 ( 0.386 -2.486 6.638) 7.099 8.671 ( 0.385 1.262 1.178) 1.769 8.711 ( 0.625 -0.209 0.727) 0.981 8.771 ( -2.778 -2.451 -1.568) 4.023 9.022 ( 0.616 -1.024 2.811) 3.054 9.112 ( -3.232 -3.479 -5.677) 7.401 9.422 ( 1.407 -0.196 1.648) 2.175 9.459 ( -1.134 -1.695 -2.040) 2.885 9.632 ( -0.385 2.581 2.854) 3.867 9.676 ( 1.468 1.649 -1.231) 2.528 9.917 ( -0.615 5.425 2.074) 5.840 9.961 ( -0.350 4.182 -2.573) 4.922 10.040 ( 1.632 4.251 1.304) 4.737 10.082 ( -0.415 3.308 -2.572) 4.211 ======================= Grid point 92 (47/55) ======================= q-point: (-0.25 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -6.262 6.109 6.721) 11.031 1.085 ( -1.629 -0.049 3.961) 4.284 1.360 ( -3.125 11.652 6.193) 13.560 1.469 ( 4.443 8.154 -3.576) 9.950 1.607 ( 2.305 8.426 -2.672) 9.135 1.688 ( 5.196 5.740 3.499) 8.497 1.752 ( -5.912 9.501 -1.514) 11.292 1.858 ( 3.719 9.295 2.193) 10.249 1.902 ( -0.443 5.088 8.972) 10.324 1.967 ( -1.212 9.358 1.282) 9.523 1.991 ( -5.308 7.933 -4.676) 10.628 2.037 ( -4.922 9.990 1.961) 11.308 2.096 ( -0.522 4.598 5.157) 6.929 2.161 ( 0.804 12.511 6.331) 14.044 2.208 ( 0.839 5.371 2.068) 5.816 2.243 ( -0.943 4.248 -1.412) 4.575 2.281 ( 1.704 2.461 -4.549) 5.446 2.297 ( 3.752 5.051 1.712) 6.521 2.345 ( -0.302 6.061 -4.809) 7.742 2.394 ( 3.396 6.853 -3.520) 8.419 2.446 ( 3.060 5.692 -3.807) 7.501 2.495 ( 4.917 4.700 0.423) 6.815 2.621 ( -1.305 2.986 -0.927) 3.388 2.666 ( 2.512 5.301 1.195) 5.987 2.860 ( -5.440 1.975 -2.270) 6.216 2.940 ( -1.576 7.085 6.116) 9.492 3.105 ( -5.849 0.135 1.557) 6.054 3.171 ( -1.951 5.526 -4.373) 7.312 3.393 ( 3.245 7.537 0.362) 8.214 3.490 ( 3.731 6.758 6.102) 9.840 3.526 ( -7.780 4.850 3.870) 9.951 3.605 ( 0.956 16.759 2.063) 16.913 3.646 ( 3.218 13.811 1.230) 14.234 3.707 ( 2.653 11.662 1.262) 12.027 3.794 ( -3.881 7.259 0.651) 8.257 3.880 ( -4.126 11.011 -3.442) 12.252 3.926 ( -9.288 6.476 9.654) 14.880 3.944 ( -1.506 6.913 3.485) 7.887 4.011 ( -2.981 3.730 -1.521) 5.012 4.116 ( 1.304 1.162 5.147) 5.435 4.221 ( 2.461 2.985 1.014) 3.999 4.360 ( 2.186 15.872 -2.250) 16.179 4.377 ( -1.000 3.856 5.198) 6.549 4.386 ( -0.842 -0.311 -0.773) 1.185 4.453 ( -2.688 10.608 7.846) 13.465 4.517 ( -0.048 0.536 3.910) 3.947 4.534 ( -2.293 4.141 -0.766) 4.795 4.627 ( 4.838 2.458 -4.312) 6.931 4.667 ( 5.788 1.350 -2.965) 6.642 4.752 ( 0.021 10.062 -1.826) 10.227 4.881 ( 0.825 7.834 -8.014) 11.237 5.002 ( 4.656 7.973 -12.097) 15.218 5.101 ( -1.483 7.287 -5.345) 9.158 5.140 ( 6.754 7.401 -8.451) 13.108 5.151 ( 4.488 7.931 -1.950) 9.319 5.257 ( -1.393 7.367 4.020) 8.508 5.424 ( 4.732 5.926 -0.278) 7.589 5.534 ( -8.068 0.390 -2.746) 8.532 5.560 ( 2.618 3.144 0.515) 4.123 5.610 ( 8.201 3.617 -5.365) 10.446 5.673 ( 0.948 1.207 -0.114) 1.539 5.720 ( -2.544 3.343 -3.236) 5.303 6.158 ( -6.365 -0.355 -2.805) 6.965 6.278 ( -2.523 -4.484 0.523) 5.171 6.668 ( -2.199 -7.490 4.498) 9.010 6.719 ( -1.702 -6.583 4.168) 7.975 6.742 ( 0.521 -7.273 1.227) 7.394 6.778 ( -1.436 -8.144 2.165) 8.549 6.793 ( 0.592 -6.784 -1.727) 7.025 6.801 ( -1.661 -6.379 1.059) 6.676 6.872 ( 1.699 -7.990 -2.351) 8.500 6.916 ( 1.956 -4.534 -4.430) 6.634 7.025 ( 0.357 0.925 -2.223) 2.434 7.057 ( 2.491 1.776 -1.021) 3.225 7.176 ( -3.026 1.102 1.202) 3.438 7.204 ( -0.901 -0.869 -0.011) 1.252 7.264 ( -3.060 -1.700 1.704) 3.893 7.324 ( -2.646 0.106 -0.362) 2.673 7.366 ( -0.854 1.001 4.731) 4.911 7.409 ( 0.468 2.333 1.933) 3.066 7.446 ( 0.930 1.323 -1.828) 2.441 7.477 ( -0.575 0.468 3.053) 3.142 7.553 ( -0.766 1.213 5.014) 5.215 7.575 ( -0.953 0.429 0.310) 1.090 7.729 ( -1.138 2.549 3.935) 4.824 7.858 ( -3.907 2.544 1.937) 5.049 7.898 ( 0.871 4.324 7.333) 8.558 8.052 ( 1.161 10.894 -6.897) 12.946 8.105 ( 1.886 8.547 5.458) 10.315 8.138 ( 0.203 6.613 3.802) 7.631 8.242 ( -0.148 10.006 1.640) 10.141 8.278 ( -1.637 6.177 1.227) 6.507 8.311 ( 0.802 2.756 -1.272) 3.140 8.386 ( 0.991 6.536 -4.901) 8.229 8.620 ( -1.723 -0.931 2.760) 3.385 8.667 ( -0.554 -1.071 -2.156) 2.470 8.744 ( 2.800 -1.649 -0.256) 3.260 8.798 ( 3.885 -1.548 3.680) 5.571 8.988 ( -5.407 0.610 -1.029) 5.538 9.036 ( -2.671 -2.778 4.220) 5.715 9.405 ( 0.283 0.311 -0.724) 0.837 9.508 ( 1.098 -2.293 0.091) 2.544 9.591 ( -0.786 2.644 0.252) 2.769 9.718 ( 1.010 1.916 -1.277) 2.515 9.898 ( -1.037 5.833 1.663) 6.153 9.992 ( 3.068 2.604 0.116) 4.026 10.049 ( -0.581 4.386 -3.483) 5.631 10.066 ( 0.198 3.756 0.768) 3.839 ======================= Grid point 93 (48/55) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -0.235 1.408 1.414) 2.010 1.088 ( 3.235 1.636 -0.382) 3.645 1.569 ( -0.703 8.315 6.715) 10.711 1.645 ( 0.423 6.340 -1.808) 6.607 1.758 ( -7.205 6.969 2.955) 10.451 1.800 ( 4.945 6.717 -0.677) 8.368 1.894 ( 0.163 4.623 0.346) 4.639 1.929 ( -1.350 4.211 -2.983) 5.335 2.043 ( -6.380 6.115 7.920) 11.867 2.081 ( 2.489 4.683 2.930) 6.059 2.167 ( -0.708 3.509 5.658) 6.696 2.194 ( -2.008 4.426 0.372) 4.874 2.216 ( -2.633 0.329 1.939) 3.286 2.245 ( 0.399 7.193 -0.972) 7.270 2.324 ( 1.828 4.811 -2.735) 5.828 2.342 ( -0.491 4.204 -6.651) 7.884 2.368 ( 3.061 4.542 1.784) 5.761 2.420 ( -0.859 6.107 -4.623) 7.708 2.494 ( -2.047 5.142 1.526) 5.741 2.513 ( 4.094 4.783 0.220) 6.300 2.582 ( 0.900 7.703 3.028) 8.326 2.657 ( -0.880 7.346 -3.803) 8.319 2.712 ( 4.286 5.026 -1.668) 6.813 2.724 ( -2.596 4.295 -2.921) 5.806 2.919 ( 5.211 0.810 2.693) 5.921 2.965 ( -4.293 -0.730 -2.118) 4.842 3.144 ( -0.900 5.995 7.509) 9.650 3.223 ( -0.361 2.715 -1.081) 2.945 3.440 ( -4.310 4.048 3.054) 6.655 3.521 ( -0.865 2.087 -5.089) 5.568 3.681 ( -2.737 2.773 10.194) 10.914 3.737 ( -2.348 2.558 4.747) 5.881 3.842 ( -3.694 4.921 5.954) 8.562 3.876 ( -1.129 3.694 6.451) 7.519 3.933 ( -2.651 5.964 3.374) 7.347 3.957 ( 3.274 2.440 0.593) 4.126 4.097 ( 5.368 3.587 1.836) 6.712 4.120 ( -3.247 10.798 2.812) 11.621 4.203 ( -1.638 3.405 0.533) 3.816 4.230 ( 1.547 2.656 -0.253) 3.083 4.283 ( -6.094 5.977 11.474) 14.300 4.375 ( 2.293 0.390 -2.465) 3.389 4.433 ( -6.279 2.299 1.429) 6.837 4.474 ( -3.060 7.323 -0.108) 7.938 4.559 ( 3.739 6.304 -9.808) 12.244 4.615 ( 1.365 4.026 2.376) 4.870 4.699 ( 5.603 5.522 -12.247) 14.556 4.734 ( 4.495 4.938 -10.048) 12.064 4.861 ( 2.580 13.482 5.875) 14.931 5.007 ( 4.114 13.821 -2.679) 14.667 5.077 ( -0.827 8.625 -9.933) 13.181 5.091 ( 0.626 9.526 -8.470) 12.762 5.324 ( -1.287 13.404 2.482) 13.693 5.355 ( -1.958 3.264 -1.124) 3.969 5.389 ( 6.407 8.376 -3.192) 11.018 5.430 ( 0.273 8.453 -6.307) 10.550 5.487 ( 2.290 10.608 3.306) 11.344 5.560 ( -5.222 8.090 -4.513) 10.634 5.657 ( 0.734 8.429 3.389) 9.115 5.715 ( 0.286 4.467 -1.233) 4.643 5.807 ( -1.850 5.918 1.302) 6.336 5.858 ( 9.194 9.127 -2.761) 13.246 6.149 ( -1.008 1.368 -1.717) 2.416 6.161 ( -0.531 4.021 -2.821) 4.940 6.487 ( -2.760 -10.001 5.419) 11.704 6.553 ( -3.448 -8.906 6.389) 11.490 6.576 ( -1.825 -9.910 4.199) 10.916 6.592 ( 1.755 -9.369 -1.962) 9.732 6.651 ( 2.032 -7.529 -2.407) 8.161 6.682 ( 1.004 -10.129 -4.213) 11.016 6.708 ( 2.042 -6.843 -0.242) 7.146 6.806 ( 0.997 -6.722 -6.170) 9.179 7.025 ( -2.556 -0.882 0.251) 2.715 7.039 ( 0.421 -0.240 -1.221) 1.314 7.173 ( -2.221 0.220 2.548) 3.387 7.192 ( 0.718 -1.212 1.253) 1.886 7.241 ( 1.028 0.945 0.784) 1.601 7.262 ( -2.340 -0.386 -0.457) 2.415 7.376 ( -3.274 -0.778 4.807) 5.867 7.418 ( -0.237 -2.000 1.251) 2.371 7.447 ( -1.279 0.793 2.488) 2.908 7.484 ( 1.539 0.043 -0.397) 1.590 7.612 ( 1.114 2.172 1.386) 2.807 7.625 ( 0.347 1.509 0.705) 1.702 7.790 ( 1.473 0.195 4.804) 5.028 7.827 ( -2.865 -0.494 0.856) 3.031 8.022 ( -4.566 4.328 9.247) 11.184 8.133 ( -1.755 4.016 1.044) 4.505 8.246 ( 2.210 1.669 2.618) 3.811 8.292 ( 1.140 1.726 1.602) 2.617 8.312 ( -2.599 1.968 1.189) 3.471 8.347 ( -0.198 4.019 -1.398) 4.260 8.465 ( -1.636 5.077 1.121) 5.451 8.518 ( 1.639 4.351 -1.689) 4.946 8.601 ( -0.003 0.614 -0.130) 0.628 8.619 ( 0.665 0.170 -3.507) 3.574 8.860 ( 2.201 2.987 3.183) 4.889 8.914 ( -2.320 3.119 -2.528) 4.637 8.931 ( -0.396 4.521 4.083) 6.105 9.003 ( 2.060 1.722 -1.976) 3.334 9.448 ( 0.761 1.087 0.292) 1.359 9.463 ( -1.248 0.496 -1.054) 1.707 9.649 ( 0.925 0.860 1.985) 2.353 9.695 ( -1.864 0.330 -2.838) 3.411 10.027 ( 0.032 4.908 2.598) 5.553 10.066 ( 0.066 3.274 -0.527) 3.317 10.120 ( -0.752 3.410 -0.297) 3.505 10.138 ( 1.295 3.328 -1.817) 4.006 ======================= Grid point 94 (49/55) ======================= q-point: ( 0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -1.346 1.745 -0.580) 2.278 1.152 ( 3.609 -1.450 -4.697) 6.098 1.581 ( -1.359 8.920 2.370) 9.329 1.644 ( 0.483 6.959 0.877) 7.031 1.671 ( -5.246 6.761 4.105) 9.491 1.860 ( -3.278 4.011 -1.350) 5.353 1.863 ( 0.615 4.579 0.798) 4.688 1.915 ( -1.177 3.978 -0.418) 4.169 1.994 ( -4.131 7.974 10.040) 13.470 2.074 ( -0.475 5.455 1.932) 5.806 2.149 ( -1.553 4.066 7.141) 8.363 2.216 ( 0.471 3.684 1.286) 3.931 2.234 ( -0.832 5.843 -0.441) 5.919 2.251 ( 2.369 1.279 2.234) 3.499 2.275 ( -2.032 2.865 -0.822) 3.608 2.358 ( 2.080 5.979 -4.073) 7.528 2.374 ( -0.450 7.670 -5.559) 9.483 2.419 ( -1.039 3.349 -2.590) 4.360 2.451 ( 0.805 7.473 2.961) 8.078 2.532 ( -1.372 5.406 -3.226) 6.443 2.609 ( -0.218 7.619 -1.893) 7.854 2.642 ( 1.804 8.018 1.923) 8.440 2.691 ( 0.430 4.710 -1.903) 5.098 2.810 ( 5.868 4.983 -2.178) 8.000 2.894 ( -1.729 3.387 -1.040) 3.942 3.019 ( 3.828 -0.866 1.144) 4.088 3.143 ( -3.082 1.604 1.151) 3.660 3.218 ( -0.789 2.350 3.292) 4.121 3.426 ( -0.547 4.937 4.137) 6.465 3.507 ( 2.992 1.502 2.305) 4.064 3.678 ( -8.106 4.729 8.112) 12.404 3.786 ( 3.478 2.138 3.242) 5.213 3.811 ( -1.460 4.933 6.932) 8.633 3.906 ( -2.018 3.997 2.037) 4.919 3.931 ( -0.344 6.308 3.449) 7.198 4.005 ( 3.950 0.720 3.698) 5.458 4.077 ( 0.422 3.308 -3.116) 4.564 4.113 ( -4.314 4.803 4.158) 7.679 4.161 ( -4.778 6.689 2.655) 8.638 4.219 ( -4.982 11.099 2.746) 12.472 4.307 ( -0.863 2.697 7.350) 7.876 4.366 ( -3.170 -1.887 5.337) 6.488 4.383 ( -0.686 1.512 -0.255) 1.680 4.434 ( -0.714 7.227 -2.604) 7.715 4.576 ( 4.210 3.530 -7.997) 9.703 4.594 ( -3.696 3.311 -1.366) 5.147 4.662 ( 0.715 4.698 -8.401) 9.652 4.750 ( 5.813 5.921 -15.054) 17.189 4.869 ( -4.658 14.200 3.235) 15.291 5.011 ( 3.316 11.081 -16.216) 19.919 5.056 ( 1.704 7.510 2.594) 8.127 5.125 ( 8.949 14.076 -0.845) 16.701 5.283 ( -1.352 13.286 1.191) 13.408 5.336 ( 1.239 7.506 0.710) 7.641 5.410 ( -2.586 12.171 -5.662) 13.670 5.465 ( 2.217 8.276 -4.255) 9.566 5.496 ( 2.178 10.554 -0.472) 10.787 5.581 ( 2.987 4.570 3.723) 6.608 5.686 ( 0.360 8.096 0.148) 8.105 5.712 ( -5.011 7.442 -3.562) 9.653 5.749 ( 3.346 3.777 -1.528) 5.272 5.910 ( 1.311 9.710 -9.769) 13.836 6.130 ( 3.241 2.868 2.128) 4.823 6.218 ( 3.463 -0.827 -0.449) 3.589 6.476 ( -2.510 -10.428 5.641) 12.118 6.544 ( -2.505 -9.154 6.238) 11.357 6.578 ( -0.869 -8.687 2.612) 9.113 6.607 ( 0.964 -9.279 -1.260) 9.414 6.668 ( 2.033 -10.008 -4.805) 11.286 6.682 ( 0.538 -7.564 1.435) 7.718 6.736 ( 2.536 -7.162 -2.866) 8.121 6.760 ( -1.510 -7.831 -5.525) 9.702 7.006 ( 0.930 1.198 1.764) 2.327 7.062 ( -0.041 0.720 0.578) 0.924 7.167 ( 0.972 -1.190 1.595) 2.215 7.203 ( -0.422 -1.443 0.353) 1.544 7.237 ( -0.173 -0.726 1.455) 1.635 7.283 ( 1.403 -0.178 2.017) 2.463 7.347 ( -2.601 -0.869 5.146) 5.832 7.432 ( -1.311 0.881 1.917) 2.484 7.444 ( 0.368 -0.585 3.322) 3.393 7.490 ( -0.218 -0.042 -1.763) 1.777 7.614 ( -0.648 0.920 -1.464) 1.846 7.633 ( -0.297 1.525 -0.407) 1.606 7.774 ( -1.505 1.567 2.445) 3.271 7.873 ( 1.542 -0.842 1.674) 2.427 7.973 ( -6.136 4.789 9.586) 12.348 8.153 ( 1.301 3.920 3.650) 5.512 8.245 ( -5.899 0.946 2.767) 6.584 8.273 ( -0.336 2.571 -1.168) 2.844 8.312 ( -0.746 1.961 2.193) 3.035 8.371 ( 1.085 1.599 4.237) 4.657 8.395 ( -1.243 4.592 -5.810) 7.509 8.552 ( 0.573 2.348 2.119) 3.214 8.574 ( -0.456 5.140 -4.419) 6.794 8.650 ( 3.239 -0.720 -0.909) 3.440 8.819 ( -2.241 8.331 -0.644) 8.651 8.857 ( -5.988 2.530 0.660) 6.534 8.980 ( 4.175 1.657 0.710) 4.547 9.077 ( 4.233 -0.221 -2.061) 4.714 9.414 ( -1.338 1.614 0.070) 2.098 9.464 ( -1.334 -0.850 0.455) 1.646 9.664 ( 1.158 2.281 -1.068) 2.772 9.682 ( 0.091 0.201 2.407) 2.418 10.024 ( -1.147 4.922 0.950) 5.143 10.069 ( -0.565 2.693 -0.182) 2.758 10.104 ( 0.220 4.607 -0.277) 4.621 10.152 ( 1.140 2.907 -1.528) 3.477 ======================= Grid point 95 (50/55) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.222 0.831 1.646) 1.857 1.116 ( -2.264 -1.114 -6.043) 6.549 1.583 ( -1.610 9.389 3.120) 10.024 1.614 ( -1.618 7.288 -0.113) 7.467 1.703 ( 3.981 7.404 4.780) 9.671 1.781 ( -2.728 5.329 -3.274) 6.823 1.874 ( 0.171 3.933 2.140) 4.481 1.900 ( 0.772 1.706 -1.596) 2.461 2.003 ( -2.954 8.009 11.771) 14.540 2.147 ( -0.313 5.188 1.696) 5.467 2.164 ( 3.844 4.066 2.851) 6.280 2.197 ( -5.824 3.440 6.343) 9.273 2.227 ( -0.140 4.631 -0.963) 4.732 2.263 ( 0.376 2.115 -0.418) 2.188 2.297 ( 0.183 5.729 -2.886) 6.418 2.341 ( 0.051 4.469 1.637) 4.760 2.354 ( 2.517 2.969 -4.637) 6.054 2.408 ( 3.046 7.060 -2.745) 8.164 2.443 ( -2.372 7.373 0.408) 7.756 2.491 ( -0.213 7.290 -4.854) 8.761 2.614 ( 0.776 8.394 0.717) 8.460 2.632 ( -1.363 7.776 -1.138) 7.976 2.735 ( 2.585 5.675 0.502) 6.257 2.774 ( -2.433 6.317 -3.601) 7.668 2.938 ( 1.422 3.705 5.687) 6.935 3.030 ( -3.209 -0.292 -3.100) 4.471 3.159 ( 5.806 -1.782 0.912) 6.141 3.177 ( -4.796 -1.112 -0.180) 4.927 3.473 ( -0.152 4.147 7.153) 8.270 3.559 ( -2.443 3.140 -1.820) 4.375 3.621 ( -0.299 5.549 12.292) 13.489 3.798 ( -1.001 5.090 -3.871) 6.473 3.869 ( -0.740 6.269 8.586) 10.657 3.946 ( -2.522 5.307 8.560) 10.383 3.966 ( 1.052 1.554 5.220) 5.547 4.007 ( -3.153 5.500 -2.002) 6.648 4.047 ( -2.496 8.780 1.179) 9.204 4.122 ( 2.744 3.340 -2.161) 4.832 4.159 ( 4.785 1.449 7.049) 8.642 4.187 ( -5.525 4.636 2.598) 7.666 4.255 ( -3.837 3.372 6.067) 7.931 4.318 ( -4.438 5.672 2.166) 7.520 4.383 ( -3.767 0.302 3.660) 5.261 4.440 ( 3.661 -3.040 2.854) 5.549 4.497 ( -1.303 5.385 -4.321) 7.026 4.602 ( 5.129 2.598 -10.377) 11.864 4.643 ( 4.205 2.604 -10.268) 11.397 4.719 ( 3.908 6.256 -17.060) 18.586 4.829 ( -2.641 17.895 4.701) 18.690 4.995 ( 4.762 12.197 -12.934) 18.405 5.155 ( 4.723 5.931 4.908) 9.032 5.255 ( 1.826 7.412 -5.475) 9.394 5.279 ( 0.157 20.510 2.570) 20.671 5.324 ( 0.066 13.603 0.410) 13.609 5.388 ( 4.011 11.937 -2.345) 12.809 5.464 ( -3.625 8.009 3.574) 9.490 5.508 ( 1.611 13.486 -9.947) 16.835 5.543 ( -1.333 2.753 -3.083) 4.343 5.632 ( -2.612 5.014 2.205) 6.069 5.698 ( 1.699 9.034 -1.855) 9.378 5.781 ( -0.171 3.795 1.230) 3.993 5.877 ( 1.584 8.506 -9.834) 13.099 6.198 ( 0.398 -0.186 2.495) 2.533 6.243 ( 1.214 -0.602 -2.007) 2.422 6.481 ( -1.532 -9.792 5.571) 11.369 6.541 ( -2.503 -10.583 5.742) 12.298 6.585 ( -0.774 -7.824 2.726) 8.321 6.613 ( 0.626 -9.233 -0.387) 9.262 6.656 ( 0.552 -9.595 -3.530) 10.239 6.690 ( 0.298 -7.713 -2.118) 8.004 6.703 ( -2.254 -7.452 -0.973) 7.846 6.772 ( 4.694 -7.332 -4.536) 9.817 7.044 ( 0.126 1.432 1.084) 1.800 7.059 ( 1.786 1.295 -0.491) 2.261 7.187 ( -0.505 -1.755 0.151) 1.832 7.193 ( -0.145 -1.716 -0.130) 1.727 7.256 ( -1.678 -1.381 2.881) 3.608 7.284 ( 0.680 -1.840 0.691) 2.080 7.390 ( -0.029 0.352 6.307) 6.317 7.439 ( 0.355 2.308 3.469) 4.182 7.463 ( -0.164 -0.839 1.566) 1.784 7.487 ( 0.876 1.474 0.266) 1.735 7.565 ( -3.212 0.174 -1.714) 3.645 7.592 ( -2.477 -1.359 -1.644) 3.269 7.798 ( -3.107 3.162 5.832) 7.326 7.850 ( 1.145 1.010 -0.694) 1.678 7.982 ( -4.018 3.245 11.237) 12.367 8.158 ( -5.764 1.704 10.664) 12.241 8.218 ( 4.401 5.769 -4.406) 8.489 8.256 ( 0.201 2.769 -3.856) 4.752 8.307 ( -0.775 1.782 1.522) 2.468 8.344 ( 0.010 2.270 -2.669) 3.503 8.434 ( 0.911 -0.664 3.886) 4.046 8.530 ( -1.067 5.458 -3.106) 6.370 8.581 ( 1.120 0.877 2.630) 2.990 8.676 ( 1.238 -2.206 -5.215) 5.796 8.781 ( -2.887 6.972 1.753) 7.747 8.810 ( 1.487 9.273 -0.910) 9.435 9.026 ( 0.113 1.183 2.371) 2.652 9.079 ( -1.551 -0.442 -2.761) 3.197 9.425 ( -0.001 0.767 0.779) 1.094 9.439 ( 1.023 0.037 -0.542) 1.159 9.674 ( -2.316 1.573 2.076) 3.486 9.707 ( 3.228 1.133 -1.029) 3.572 10.021 ( -0.500 4.753 1.498) 5.009 10.041 ( -1.066 3.678 -0.605) 3.876 10.122 ( 1.063 3.860 0.457) 4.029 10.150 ( 0.197 3.160 -2.156) 3.830 ======================= Grid point 96 (51/55) ======================= q-point: (-0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.819 2.954 1.353) 3.351 1.080 ( 0.286 -0.163 0.544) 0.636 1.556 ( -2.675 8.579 4.286) 9.957 1.629 ( 1.295 7.565 1.273) 7.780 1.751 ( 1.820 6.394 -2.962) 7.278 1.803 ( 1.996 5.708 3.445) 6.959 1.878 ( 0.632 3.907 -1.239) 4.147 1.939 ( 3.826 1.894 -0.160) 4.272 2.038 ( -1.057 6.651 7.970) 10.434 2.070 ( -6.373 5.613 -0.105) 8.492 2.160 ( -3.336 3.836 6.868) 8.545 2.205 ( -0.381 6.315 0.332) 6.336 2.245 ( -1.018 8.582 -1.640) 8.797 2.267 ( 0.001 1.954 -1.112) 2.248 2.294 ( 4.436 2.130 2.157) 5.372 2.333 ( -0.799 3.258 -4.382) 5.518 2.377 ( 3.488 4.714 -0.079) 5.865 2.406 ( 1.370 4.337 -5.387) 7.051 2.467 ( 0.668 8.033 0.084) 8.062 2.493 ( 2.035 5.127 0.438) 5.533 2.573 ( -1.932 7.200 0.982) 7.519 2.666 ( 2.077 7.684 -1.059) 8.030 2.703 ( -1.154 4.762 -2.097) 5.330 2.791 ( 0.027 6.047 0.212) 6.051 2.885 ( -5.698 0.805 -0.108) 5.755 3.024 ( 0.164 0.883 1.745) 1.962 3.117 ( -2.203 2.219 3.428) 4.640 3.226 ( 0.967 1.217 -1.059) 1.881 3.497 ( 2.162 4.195 -1.653) 5.000 3.544 ( -3.893 0.845 1.417) 4.228 3.653 ( -3.792 5.351 14.288) 15.721 3.756 ( 1.508 -0.369 -2.736) 3.146 3.847 ( -6.829 6.853 4.858) 10.826 3.912 ( -2.914 4.496 6.121) 8.134 3.961 ( -7.855 4.749 1.823) 9.358 3.984 ( 0.694 10.019 5.164) 11.293 4.019 ( -4.567 2.905 1.603) 5.645 4.129 ( 0.213 6.946 1.501) 7.110 4.163 ( 1.512 4.085 1.009) 4.471 4.220 ( 1.197 9.450 -0.428) 9.535 4.273 ( 1.829 1.900 7.837) 8.269 4.348 ( 2.524 -2.157 0.749) 3.404 4.446 ( 1.238 -1.784 10.315) 10.541 4.490 ( 2.812 6.786 -1.315) 7.463 4.533 ( 3.343 0.223 0.514) 3.389 4.602 ( 2.331 2.783 -9.795) 10.446 4.664 ( 6.965 2.950 -8.415) 11.315 4.688 ( 6.962 7.276 -16.475) 19.309 4.818 ( -1.848 18.578 3.349) 18.968 4.988 ( 3.700 13.471 -9.324) 16.796 5.154 ( -3.569 6.975 -6.649) 10.276 5.167 ( -3.526 10.387 -3.529) 11.523 5.313 ( 3.252 15.812 0.111) 16.143 5.357 ( -3.114 10.811 -5.386) 12.473 5.378 ( 1.153 14.936 -0.780) 15.001 5.433 ( 1.856 8.853 -2.123) 9.291 5.495 ( 1.271 1.076 0.093) 1.667 5.579 ( -0.883 7.463 5.798) 9.491 5.679 ( 8.000 6.458 0.724) 10.307 5.712 ( 0.792 6.906 -3.578) 7.818 5.750 ( -4.717 7.782 -2.325) 9.392 5.815 ( -0.213 6.188 -2.042) 6.520 6.169 ( -2.509 1.535 -1.132) 3.152 6.233 ( -1.672 1.691 -2.308) 3.314 6.489 ( -1.791 -10.072 5.231) 11.490 6.547 ( -1.663 -10.683 6.465) 12.597 6.583 ( 0.451 -8.340 -1.151) 8.431 6.606 ( -3.792 -9.652 4.914) 11.476 6.646 ( 0.646 -7.062 -3.398) 7.864 6.678 ( 2.050 -7.625 -3.667) 8.705 6.690 ( 0.748 -9.585 -1.370) 9.711 6.810 ( 3.215 -6.564 -5.523) 9.161 7.035 ( -0.593 0.235 -0.886) 1.092 7.081 ( -0.045 0.232 -1.215) 1.238 7.176 ( -0.132 -1.269 0.281) 1.306 7.183 ( -1.045 -0.635 1.084) 1.634 7.239 ( -1.594 -0.583 1.905) 2.551 7.302 ( -0.450 -1.359 0.220) 1.449 7.389 ( -2.905 0.805 2.822) 4.129 7.436 ( -0.951 0.416 1.604) 1.911 7.463 ( -1.786 -0.418 -0.195) 1.844 7.470 ( -2.143 -0.286 0.896) 2.341 7.571 ( 2.233 0.655 6.081) 6.511 7.586 ( 1.544 0.854 0.530) 1.843 7.764 ( -1.943 1.513 2.658) 3.623 7.873 ( -1.738 -0.511 0.877) 2.012 7.996 ( -2.787 5.372 13.574) 14.862 8.163 ( -2.509 1.216 7.144) 7.669 8.217 ( 1.479 5.008 -7.344) 9.011 8.263 ( 1.428 3.277 -0.107) 3.577 8.320 ( 0.605 2.588 1.683) 3.145 8.350 ( 1.996 3.176 -2.024) 4.263 8.444 ( -1.659 0.871 4.037) 4.450 8.521 ( 1.353 4.463 -1.577) 4.923 8.607 ( -0.876 -0.539 1.510) 1.828 8.643 ( 0.649 -1.640 -5.721) 5.987 8.785 ( 1.652 6.892 2.673) 7.574 8.854 ( 4.212 6.873 -0.143) 8.062 9.006 ( -4.366 1.296 -1.343) 4.748 9.029 ( -2.654 1.999 2.824) 4.361 9.422 ( 1.077 1.506 -0.605) 1.948 9.476 ( 1.543 -0.780 -0.666) 1.853 9.642 ( -1.782 2.394 1.193) 3.214 9.732 ( 0.457 -0.248 -2.460) 2.514 10.011 ( -0.545 5.211 1.556) 5.465 10.055 ( 1.018 3.258 1.354) 3.673 10.132 ( -0.250 3.587 -1.441) 3.874 10.137 ( 0.435 3.360 -1.209) 3.598 ======================= Grid point 97 (52/55) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.502 0.839 -0.512) 1.103 1.099 ( 2.323 -0.336 -1.665) 2.878 1.698 ( -0.535 4.432 4.089) 6.054 1.728 ( -0.585 1.534 1.018) 1.931 1.875 ( -3.633 4.053 1.500) 5.646 1.902 ( 1.847 1.868 -0.851) 2.761 1.967 ( 0.949 4.361 0.912) 4.555 2.004 ( -0.387 2.376 -2.411) 3.407 2.108 ( 3.596 -0.639 1.738) 4.045 2.119 ( -5.701 -0.053 2.147) 6.092 2.184 ( -4.610 1.109 5.879) 7.553 2.214 ( -2.685 -0.445 7.817) 8.277 2.289 ( -0.540 3.912 -0.609) 3.996 2.325 ( -1.480 0.846 0.662) 1.829 2.371 ( 0.465 1.546 -3.747) 4.080 2.388 ( 0.656 0.341 -3.427) 3.506 2.457 ( 4.155 3.220 -1.082) 5.366 2.481 ( 3.281 0.790 -3.153) 4.619 2.589 ( -1.167 3.332 1.221) 3.735 2.599 ( 0.838 2.590 0.458) 2.760 2.703 ( 1.272 3.596 1.111) 3.973 2.727 ( -0.625 0.704 -1.367) 1.660 2.795 ( 1.979 3.239 -0.995) 3.924 2.807 ( 0.242 2.658 -2.051) 3.366 2.927 ( 0.963 0.154 0.267) 1.012 2.941 ( -0.645 -1.350 -1.318) 1.993 3.227 ( -1.639 2.821 3.924) 5.103 3.257 ( -1.013 0.117 0.275) 1.057 3.510 ( -1.430 3.061 1.324) 3.629 3.545 ( -1.396 0.059 -2.535) 2.895 3.705 ( -1.797 0.297 5.830) 6.108 3.724 ( 0.394 -1.911 3.493) 4.002 3.926 ( -2.553 2.674 8.517) 9.285 3.936 ( -4.643 1.678 8.821) 10.109 3.985 ( -3.118 2.133 3.629) 5.238 4.006 ( -1.758 0.640 3.707) 4.152 4.150 ( 3.134 2.765 0.958) 4.288 4.195 ( -1.181 -1.417 -0.609) 1.943 4.245 ( -1.321 0.699 -1.816) 2.352 4.265 ( -1.161 -0.027 -2.758) 2.993 4.320 ( -6.129 2.441 16.592) 17.856 4.360 ( -4.607 -1.149 12.643) 13.505 4.484 ( 0.225 3.294 3.124) 4.545 4.555 ( 2.260 -3.044 0.602) 3.839 4.665 ( 5.895 5.033 -14.256) 16.227 4.703 ( 3.648 2.209 -10.285) 11.134 4.746 ( 6.090 2.841 -14.414) 15.904 4.784 ( 8.460 0.320 -19.054) 20.850 5.168 ( 1.176 4.205 0.092) 4.367 5.186 ( -0.676 6.385 -1.159) 6.524 5.236 ( 2.709 9.812 0.547) 10.193 5.320 ( -2.793 8.672 -7.826) 12.011 5.387 ( -1.460 4.714 0.669) 4.980 5.430 ( 1.327 4.060 -3.650) 5.618 5.520 ( -3.067 -0.588 -0.190) 3.129 5.545 ( 2.156 -2.207 -2.762) 4.141 5.698 ( 1.799 8.819 2.604) 9.369 5.746 ( 2.272 6.436 -0.378) 6.835 5.779 ( -0.312 4.586 -0.939) 4.691 5.806 ( 0.113 4.580 -1.476) 4.813 5.975 ( -2.126 10.221 5.558) 11.827 6.057 ( 3.659 7.361 -0.509) 8.236 6.251 ( -2.583 1.291 5.569) 6.273 6.275 ( -0.183 6.159 2.504) 6.651 6.349 ( 1.405 0.625 -2.397) 2.848 6.369 ( -2.571 -8.700 3.940) 9.891 6.420 ( 0.354 -2.854 1.059) 3.064 6.433 ( -0.368 -2.856 -4.027) 4.951 6.489 ( 0.666 -7.229 -3.471) 8.047 6.510 ( 1.514 -6.219 -2.969) 7.056 6.542 ( 3.203 -9.239 -2.506) 10.095 6.628 ( -0.259 -11.088 -6.265) 12.738 7.015 ( -1.284 0.044 0.532) 1.390 7.026 ( -0.145 -0.856 -0.394) 0.953 7.169 ( -0.995 -0.207 1.832) 2.095 7.173 ( -0.287 -0.629 1.443) 1.600 7.260 ( -1.190 0.895 0.835) 1.707 7.267 ( -0.555 0.380 0.245) 0.716 7.360 ( -2.881 -0.329 2.171) 3.622 7.377 ( -0.183 -1.848 0.690) 1.981 7.461 ( -0.158 0.821 2.665) 2.793 7.478 ( 0.584 -0.666 1.330) 1.598 7.644 ( 0.682 0.950 1.767) 2.119 7.649 ( 1.119 0.607 1.036) 1.641 7.786 ( 0.574 0.100 2.179) 2.255 7.803 ( -1.378 -1.458 0.329) 2.032 8.113 ( -5.893 4.275 11.504) 13.614 8.167 ( -3.630 -0.794 9.485) 10.186 8.275 ( 0.724 2.072 -2.204) 3.110 8.302 ( 0.177 -0.282 -1.757) 1.789 8.335 ( -1.421 0.873 3.875) 4.219 8.369 ( -3.050 -1.898 4.324) 5.622 8.542 ( 4.779 3.698 -3.884) 7.183 8.556 ( 0.605 1.249 -1.316) 1.913 8.582 ( 0.625 -1.143 -0.194) 1.317 8.614 ( 2.762 -2.226 -6.045) 7.009 8.889 ( -0.616 1.361 1.499) 2.117 8.914 ( -0.202 -1.022 -0.954) 1.413 9.069 ( -1.312 4.855 1.123) 5.153 9.085 ( 0.990 3.116 -0.326) 3.285 9.477 ( -0.054 1.376 -0.233) 1.397 9.480 ( -0.220 0.943 -0.494) 1.087 9.667 ( -0.145 0.968 0.621) 1.159 9.688 ( -0.589 -0.971 -1.568) 1.936 10.100 ( -0.253 2.213 1.902) 2.930 10.111 ( -0.276 1.034 1.183) 1.595 10.175 ( 0.025 1.808 -1.147) 2.141 10.183 ( 0.820 1.025 -1.698) 2.146 ======================= Grid point 98 (53/55) ======================= q-point: ( 0.25 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -0.497 1.845 -1.983) 2.754 1.116 ( 1.178 -2.006 -3.862) 4.508 1.713 ( -0.285 4.018 1.906) 4.456 1.732 ( -0.148 1.940 1.695) 2.580 1.803 ( -4.329 5.945 3.804) 8.279 1.881 ( -3.232 -1.531 0.977) 3.708 1.937 ( -1.942 2.418 -1.053) 3.275 1.958 ( -2.767 0.392 -2.627) 3.836 2.126 ( -1.325 5.144 8.144) 9.723 2.166 ( 0.174 3.561 5.978) 6.960 2.193 ( 0.265 0.301 6.084) 6.097 2.240 ( 2.188 -2.100 3.862) 4.910 2.275 ( -1.196 2.408 0.088) 2.690 2.299 ( -1.840 0.232 0.245) 1.871 2.337 ( -0.755 3.752 -2.060) 4.346 2.386 ( -0.027 -1.073 -2.316) 2.553 2.471 ( 0.907 3.165 -6.043) 6.881 2.492 ( 1.991 1.279 -6.029) 6.477 2.588 ( 0.396 4.949 1.146) 5.095 2.618 ( 0.350 2.050 -0.063) 2.081 2.716 ( 0.842 3.702 -1.184) 3.976 2.743 ( 0.477 1.507 -0.166) 1.589 2.785 ( 1.274 4.505 -1.386) 4.883 2.847 ( 5.214 -1.458 -2.103) 5.808 2.946 ( 2.096 2.800 -1.069) 3.657 2.995 ( 3.755 -1.864 -0.381) 4.209 3.182 ( -5.789 2.416 1.732) 6.507 3.223 ( -4.253 -1.376 1.363) 4.673 3.506 ( -0.510 2.822 3.273) 4.351 3.529 ( 1.514 0.345 2.299) 2.775 3.728 ( -0.286 1.956 3.635) 4.138 3.780 ( 3.505 -2.513 3.298) 5.429 3.897 ( -5.450 3.522 11.443) 13.155 3.934 ( -4.631 -0.041 10.614) 11.580 4.010 ( 0.510 1.351 2.539) 2.920 4.011 ( 2.414 0.626 4.168) 4.857 4.131 ( -1.370 2.472 -3.903) 4.819 4.160 ( -6.394 0.101 0.465) 6.412 4.239 ( 1.101 1.840 2.737) 3.477 4.290 ( 3.563 -2.857 -2.292) 5.110 4.316 ( -7.064 1.870 16.780) 18.302 4.343 ( -7.750 -0.599 14.551) 16.497 4.443 ( -4.834 5.239 -1.268) 7.240 4.528 ( -2.780 -2.662 -3.290) 5.064 4.659 ( 1.548 2.962 -10.249) 10.780 4.667 ( 2.467 3.489 -12.879) 13.569 4.722 ( 4.503 4.067 -17.117) 18.160 4.790 ( 7.802 -1.128 -20.906) 22.342 5.128 ( -3.856 5.652 0.042) 6.843 5.168 ( -1.466 3.037 2.316) 4.091 5.256 ( 3.369 10.533 -3.556) 11.617 5.341 ( 4.891 12.355 0.535) 13.299 5.408 ( 3.381 -3.399 -0.680) 4.842 5.484 ( 1.470 3.867 -0.772) 4.208 5.498 ( 4.726 5.414 0.693) 7.220 5.624 ( 5.630 -1.979 -1.492) 6.151 5.677 ( -1.801 10.402 -3.568) 11.143 5.761 ( -1.624 2.664 -2.674) 4.109 5.798 ( 3.342 8.084 1.610) 8.895 5.840 ( 2.739 4.956 0.162) 5.665 5.925 ( -4.626 11.508 0.126) 12.404 6.082 ( -0.605 1.511 -1.544) 2.244 6.245 ( 0.065 6.823 3.464) 7.652 6.266 ( -3.243 4.229 -0.395) 5.344 6.341 ( 0.617 2.862 1.189) 3.159 6.380 ( -2.153 -5.344 4.852) 7.532 6.420 ( 0.425 -5.788 1.484) 5.990 6.429 ( 1.028 -8.865 -3.222) 9.488 6.483 ( 1.404 -6.383 -4.692) 8.045 6.528 ( 2.073 -7.403 -0.802) 7.730 6.575 ( 0.506 -8.527 -2.792) 8.987 6.577 ( 1.687 -9.207 -4.779) 10.509 7.031 ( 2.542 1.336 1.039) 3.054 7.058 ( 2.498 -1.118 0.372) 2.762 7.153 ( -1.547 0.208 1.819) 2.396 7.172 ( -1.235 -1.467 1.123) 2.223 7.235 ( -1.375 0.671 1.733) 2.311 7.261 ( -1.903 -1.696 1.807) 3.125 7.359 ( 0.893 1.823 3.517) 4.061 7.403 ( 1.262 -2.291 2.727) 3.778 7.463 ( -0.803 1.104 1.347) 1.918 7.481 ( -0.375 -0.762 -0.244) 0.883 7.629 ( -1.881 0.855 -1.191) 2.385 7.645 ( -2.229 -0.408 -1.351) 2.638 7.806 ( 2.313 1.768 0.716) 2.998 7.842 ( 2.606 -1.891 0.992) 3.369 8.077 ( -7.674 5.473 13.754) 16.674 8.167 ( -5.519 -2.858 12.182) 13.676 8.258 ( -1.156 1.408 0.023) 1.821 8.284 ( -0.293 -0.762 -1.018) 1.305 8.340 ( -1.393 1.042 3.010) 3.477 8.364 ( -1.131 -1.256 3.781) 4.141 8.497 ( -0.106 5.407 -8.931) 10.441 8.569 ( -0.327 -0.185 -0.480) 0.609 8.600 ( 0.710 -0.744 -5.288) 5.387 8.614 ( 2.464 -2.723 -3.884) 5.345 8.917 ( 1.833 2.373 1.989) 3.599 8.928 ( 2.097 1.301 -0.529) 2.524 9.053 ( -1.267 4.533 1.121) 4.839 9.094 ( -0.120 0.379 -0.403) 0.566 9.454 ( -1.183 1.931 0.107) 2.267 9.467 ( -1.391 0.508 0.151) 1.489 9.684 ( 1.178 0.383 0.992) 1.587 9.690 ( 1.093 0.035 -0.086) 1.097 10.096 ( -1.005 2.197 1.058) 2.637 10.108 ( -0.967 0.936 0.823) 1.577 10.174 ( 0.725 2.299 -0.896) 2.571 10.190 ( 1.014 0.692 -1.443) 1.894 ======================= Grid point 99 (54/55) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.100 1.334 -1.244) 1.827 1.087 ( -0.394 -1.636 -4.166) 4.493 1.719 ( -2.252 3.884 2.471) 5.125 1.726 ( -0.188 3.262 1.391) 3.551 1.820 ( 2.194 4.212 3.780) 6.069 1.850 ( -1.033 1.329 0.541) 1.768 1.916 ( 0.181 0.694 -1.563) 1.719 1.922 ( 0.768 0.234 -1.970) 2.127 2.134 ( -3.593 5.137 11.000) 12.661 2.194 ( -2.957 -0.652 7.872) 8.435 2.224 ( 0.001 2.194 2.333) 3.203 2.250 ( -0.694 0.635 -0.435) 1.036 2.282 ( -0.677 2.269 4.156) 4.783 2.308 ( 0.299 1.649 -0.700) 1.816 2.345 ( 4.347 0.779 -0.775) 4.483 2.371 ( 0.799 -0.765 -3.596) 3.762 2.432 ( -0.945 4.229 -4.919) 6.555 2.474 ( 0.986 0.293 -6.915) 6.991 2.594 ( -0.568 5.312 1.206) 5.477 2.613 ( -0.372 3.475 -0.736) 3.571 2.718 ( -0.236 2.302 -0.399) 2.349 2.722 ( -0.317 1.730 -0.790) 1.928 2.845 ( 1.232 4.999 0.147) 5.151 2.878 ( -1.153 3.169 -3.238) 4.675 2.979 ( 3.799 0.365 2.046) 4.330 3.007 ( -5.021 -1.835 -0.847) 5.413 3.125 ( 3.554 -0.766 -0.245) 3.644 3.141 ( -2.050 -1.953 -1.458) 3.185 3.543 ( -0.170 2.918 5.902) 6.586 3.578 ( -0.916 -0.467 2.938) 3.113 3.739 ( -2.469 5.528 7.851) 9.915 3.818 ( -4.194 -1.925 2.003) 5.030 3.937 ( 0.641 1.291 8.538) 8.659 3.958 ( 0.246 -1.199 4.642) 4.801 4.037 ( 0.147 2.742 3.893) 4.764 4.054 ( -2.819 0.579 1.294) 3.155 4.115 ( 2.859 1.324 3.589) 4.776 4.140 ( 5.035 -0.255 1.889) 5.384 4.226 ( -1.425 4.079 0.468) 4.346 4.290 ( -8.420 3.545 8.683) 12.604 4.298 ( -1.426 -1.555 7.810) 8.090 4.324 ( -4.670 1.529 5.709) 7.532 4.362 ( -2.295 -2.355 7.870) 8.530 4.399 ( -9.026 -1.613 -3.157) 9.697 4.631 ( 5.479 2.835 -11.442) 12.999 4.653 ( 5.693 0.675 -12.554) 13.801 4.709 ( 7.911 5.922 -19.038) 21.449 4.772 ( 7.127 -0.226 -21.520) 22.671 5.135 ( 1.063 7.983 2.147) 8.334 5.169 ( 1.721 2.799 -0.096) 3.287 5.296 ( 2.908 8.398 0.126) 8.888 5.359 ( -1.378 5.364 -4.159) 6.926 5.474 ( 0.642 1.908 2.822) 3.467 5.521 ( 4.105 3.267 -0.812) 5.309 5.583 ( 1.705 6.099 1.548) 6.519 5.630 ( -2.374 8.513 -2.383) 9.153 5.645 ( -2.958 2.385 -4.716) 6.056 5.676 ( 1.064 3.825 -3.615) 5.369 5.833 ( -3.619 9.102 0.590) 9.813 5.880 ( 2.301 4.323 -2.852) 5.667 5.900 ( 2.021 12.427 6.998) 14.404 6.048 ( -1.648 6.078 -4.347) 7.652 6.212 ( -2.875 -1.196 3.172) 4.445 6.266 ( 0.291 2.441 0.155) 2.463 6.346 ( -3.949 -7.234 5.134) 9.710 6.369 ( 2.059 2.446 -1.637) 3.592 6.406 ( -0.500 -11.024 -1.790) 11.180 6.458 ( 0.523 -3.117 3.849) 4.981 6.480 ( 2.870 -6.744 -5.749) 9.315 6.544 ( -0.929 -7.963 0.382) 8.026 6.550 ( 0.396 -4.677 -3.704) 5.979 6.613 ( 4.654 -8.147 -4.659) 10.475 7.070 ( -1.241 1.130 0.746) 1.837 7.079 ( 1.624 0.464 -0.226) 1.704 7.151 ( -0.447 -1.090 0.730) 1.386 7.159 ( 0.084 -1.492 -0.024) 1.494 7.237 ( -1.009 -0.258 2.581) 2.784 7.250 ( 0.769 -1.414 1.316) 2.079 7.405 ( -0.064 1.199 4.287) 4.452 7.433 ( -0.790 -1.482 2.377) 2.911 7.480 ( 2.192 1.568 3.513) 4.428 7.502 ( 2.238 -0.251 1.720) 2.833 7.562 ( -4.571 -0.405 -2.351) 5.156 7.567 ( -3.767 -0.739 -3.099) 4.934 7.846 ( -1.661 1.508 0.971) 2.445 7.860 ( 1.138 -0.044 -0.592) 1.283 8.063 ( -5.788 4.835 17.161) 18.745 8.146 ( -5.918 -2.829 14.690) 16.088 8.266 ( 1.007 0.978 0.819) 1.625 8.283 ( 1.430 -0.451 -1.931) 2.444 8.335 ( -0.734 1.450 1.584) 2.269 8.368 ( -0.559 -1.652 2.937) 3.416 8.450 ( 1.717 5.010 -9.340) 10.737 8.543 ( 1.107 -2.795 -7.599) 8.172 8.594 ( 0.452 0.471 0.001) 0.653 8.616 ( 0.820 -2.396 -3.007) 3.931 8.939 ( -1.401 5.557 1.686) 5.974 8.958 ( 1.126 3.762 -0.325) 3.941 9.054 ( 0.620 1.296 1.293) 1.933 9.072 ( -1.267 -0.578 -0.620) 1.525 9.452 ( -0.037 1.456 0.317) 1.490 9.456 ( 0.922 1.032 -0.077) 1.386 9.697 ( -0.646 0.910 1.054) 1.535 9.712 ( 1.314 -0.483 -0.453) 1.471 10.090 ( -0.646 1.986 1.164) 2.391 10.095 ( -0.722 1.466 0.714) 1.783 10.182 ( 0.629 1.939 -0.645) 2.138 10.192 ( 0.463 0.882 -1.587) 1.874 ======================= Grid point 100 (55/55) ======================= q-point: (-0.25 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 1.260 0.699 -0.004) 1.440 1.078 ( 1.427 -0.198 -1.505) 2.083 1.695 ( -2.077 5.032 3.049) 6.240 1.730 ( -0.899 1.858 2.331) 3.114 1.855 ( 2.320 3.821 -1.269) 4.647 1.883 ( 1.973 1.528 0.833) 2.631 1.927 ( 2.519 1.731 -0.574) 3.110 1.953 ( 4.155 -0.526 -0.953) 4.295 2.147 ( -3.309 4.196 8.190) 9.779 2.177 ( -6.689 3.767 2.372) 8.035 2.201 ( -2.019 0.972 5.037) 5.512 2.253 ( -2.722 -1.804 0.574) 3.315 2.288 ( 0.390 2.279 -1.097) 2.559 2.315 ( 2.797 -0.120 0.538) 2.850 2.370 ( -0.448 3.111 1.967) 3.708 2.401 ( 2.902 3.834 -5.837) 7.563 2.410 ( 1.995 -0.854 1.284) 2.521 2.443 ( 1.766 -0.069 -7.657) 7.858 2.584 ( -0.890 4.636 1.731) 5.028 2.610 ( -0.710 2.639 0.595) 2.797 2.692 ( -1.063 4.742 0.827) 4.929 2.744 ( 0.707 0.196 -0.211) 0.763 2.785 ( -1.158 3.470 -1.653) 4.014 2.835 ( -3.636 -1.292 -1.281) 4.066 2.934 ( -1.806 3.894 0.431) 4.314 2.998 ( -2.743 -2.540 -0.306) 3.750 3.184 ( 4.349 3.632 2.253) 6.098 3.233 ( 4.935 -0.910 -0.818) 5.085 3.551 ( -2.803 0.883 0.179) 2.944 3.556 ( -0.463 0.747 1.307) 1.575 3.711 ( -5.165 0.916 8.703) 10.162 3.725 ( -4.179 -1.339 1.999) 4.822 3.939 ( -4.713 3.078 4.867) 7.441 3.962 ( -4.423 1.038 8.197) 9.372 4.033 ( -4.780 2.412 1.895) 5.680 4.052 ( -3.146 0.415 2.538) 4.064 4.127 ( 0.245 4.372 -0.815) 4.454 4.189 ( 0.489 -1.319 -3.186) 3.483 4.244 ( 1.583 3.945 3.824) 5.718 4.296 ( 0.280 1.243 -1.884) 2.275 4.309 ( -3.447 2.060 14.729) 15.267 4.320 ( 0.006 -0.534 8.010) 8.028 4.399 ( 1.514 -2.130 10.971) 11.278 4.427 ( 7.803 -4.614 5.223) 10.462 4.659 ( 6.304 2.728 -13.137) 14.824 4.679 ( 6.360 1.970 -10.142) 12.132 4.724 ( 8.162 4.703 -17.559) 19.926 4.765 ( 9.174 1.027 -20.931) 22.877 5.149 ( 1.399 9.325 -1.071) 9.490 5.204 ( 0.517 4.504 -1.195) 4.688 5.267 ( -4.420 5.053 -3.969) 7.799 5.344 ( 1.410 9.820 -0.171) 9.923 5.432 ( -4.232 -1.685 -2.167) 5.044 5.496 ( -2.033 4.309 -1.717) 5.065 5.555 ( -2.394 4.373 -4.313) 6.593 5.620 ( -2.130 3.737 -0.670) 4.354 5.625 ( 2.141 8.630 -0.266) 8.896 5.703 ( 2.783 -1.044 1.730) 3.439 5.789 ( -2.583 10.252 3.015) 10.993 5.865 ( -2.853 2.791 -2.751) 4.847 5.968 ( -1.183 13.262 -2.510) 13.550 5.986 ( 2.547 9.735 5.329) 11.386 6.225 ( -0.213 1.063 5.466) 5.573 6.290 ( 0.951 -4.532 0.452) 4.653 6.312 ( -1.184 -4.057 2.815) 5.078 6.388 ( -0.664 -4.317 2.228) 4.904 6.407 ( 0.571 -3.605 -0.034) 3.651 6.466 ( -0.386 -1.254 -1.149) 1.744 6.503 ( 2.547 -6.674 -4.143) 8.258 6.517 ( -0.210 -4.015 -4.196) 5.811 6.523 ( 0.093 -8.199 -3.182) 8.795 6.647 ( 2.716 -9.864 -5.323) 11.533 7.043 ( -2.095 0.753 0.055) 2.227 7.066 ( -2.547 -1.392 -0.158) 2.907 7.159 ( 0.444 -0.269 0.850) 0.996 7.166 ( 0.453 -0.870 0.848) 1.297 7.246 ( 0.711 1.254 0.701) 1.603 7.277 ( 0.975 -1.487 -0.112) 1.781 7.401 ( -3.359 0.782 0.940) 3.575 7.428 ( -2.682 -1.684 1.595) 3.546 7.448 ( -3.293 0.624 1.349) 3.613 7.466 ( -1.719 -0.764 0.906) 2.088 7.584 ( 3.513 0.790 4.364) 5.657 7.596 ( 3.502 -0.108 2.149) 4.110 7.800 ( -3.182 2.140 1.298) 4.049 7.844 ( -2.893 -2.163 0.627) 3.667 8.102 ( -3.544 4.860 15.484) 16.611 8.163 ( -3.305 -1.314 10.602) 11.183 8.275 ( 0.606 1.892 -1.630) 2.570 8.297 ( 1.471 0.208 -2.746) 3.123 8.339 ( -0.928 0.887 2.879) 3.152 8.389 ( -2.297 -3.933 6.493) 7.931 8.450 ( 6.475 5.345 -6.906) 10.871 8.534 ( 3.900 -2.324 -6.690) 8.085 8.599 ( -0.445 -0.195 -0.369) 0.610 8.607 ( 0.909 -1.352 -2.635) 3.098 8.910 ( -2.457 3.989 1.341) 4.873 8.942 ( -2.003 0.834 -0.605) 2.253 9.065 ( 0.885 3.271 -0.102) 3.390 9.078 ( 0.152 1.913 1.249) 2.290 9.461 ( 1.244 1.957 -0.523) 2.377 9.476 ( 1.278 0.315 -0.662) 1.474 9.681 ( -1.504 1.666 0.389) 2.278 9.714 ( -0.520 -1.513 -1.420) 2.139 10.089 ( -0.209 2.402 1.515) 2.847 10.101 ( 0.188 1.093 1.498) 1.864 10.183 ( 0.040 1.493 -0.885) 1.736 10.186 ( 0.257 1.270 -1.768) 2.192 =================== 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 3/19440 10.0 99.717 92.002 97.320 0.000 -4.326 0.000 3/19440 20.0 19.751 26.988 19.463 0.000 -1.545 0.000 3/19440 30.0 9.515 15.899 9.827 0.000 -0.962 0.000 3/19440 40.0 6.050 10.975 6.497 0.000 -0.698 0.000 3/19440 50.0 4.385 8.298 4.861 0.000 -0.556 0.000 3/19440 60.0 3.426 6.657 3.899 0.000 -0.468 0.000 3/19440 70.0 2.809 5.561 3.268 0.000 -0.409 0.000 3/19440 80.0 2.381 4.780 2.821 0.000 -0.365 0.000 3/19440 90.0 2.068 4.197 2.487 0.000 -0.330 0.000 3/19440 100.0 1.830 3.746 2.228 0.000 -0.302 0.000 3/19440 110.0 1.642 3.385 2.019 0.000 -0.278 0.000 3/19440 120.0 1.491 3.090 1.848 0.000 -0.259 0.000 3/19440 130.0 1.366 2.844 1.705 0.000 -0.241 0.000 3/19440 140.0 1.261 2.635 1.583 0.000 -0.226 0.000 3/19440 150.0 1.171 2.456 1.478 0.000 -0.213 0.000 3/19440 160.0 1.094 2.300 1.386 0.000 -0.201 0.000 3/19440 170.0 1.026 2.163 1.305 0.000 -0.190 0.000 3/19440 180.0 0.967 2.042 1.234 0.000 -0.181 0.000 3/19440 190.0 0.914 1.934 1.169 0.000 -0.172 0.000 3/19440 200.0 0.867 1.837 1.112 0.000 -0.164 0.000 3/19440 210.0 0.825 1.750 1.059 0.000 -0.157 0.000 3/19440 220.0 0.786 1.670 1.012 0.000 -0.150 0.000 3/19440 230.0 0.751 1.598 0.968 0.000 -0.144 0.000 3/19440 240.0 0.719 1.531 0.929 0.000 -0.139 0.000 3/19440 250.0 0.690 1.470 0.892 0.000 -0.134 0.000 3/19440 260.0 0.663 1.414 0.858 0.000 -0.129 0.000 3/19440 270.0 0.638 1.362 0.827 0.000 -0.124 0.000 3/19440 280.0 0.615 1.313 0.797 0.000 -0.120 0.000 3/19440 290.0 0.594 1.268 0.770 0.000 -0.116 0.000 3/19440 300.0 0.574 1.226 0.745 0.000 -0.112 0.000 3/19440 310.0 0.555 1.187 0.721 0.000 -0.109 0.000 3/19440 320.0 0.537 1.150 0.699 0.000 -0.106 0.000 3/19440 330.0 0.521 1.115 0.678 0.000 -0.103 0.000 3/19440 340.0 0.506 1.082 0.658 0.000 -0.100 0.000 3/19440 350.0 0.491 1.052 0.640 0.000 -0.097 0.000 3/19440 360.0 0.477 1.023 0.622 0.000 -0.094 0.000 3/19440 370.0 0.464 0.995 0.605 0.000 -0.092 0.000 3/19440 380.0 0.452 0.969 0.590 0.000 -0.089 0.000 3/19440 390.0 0.440 0.944 0.575 0.000 -0.087 0.000 3/19440 400.0 0.429 0.921 0.560 0.000 -0.085 0.000 3/19440 410.0 0.419 0.899 0.547 0.000 -0.083 0.000 3/19440 420.0 0.409 0.877 0.534 0.000 -0.081 0.000 3/19440 430.0 0.399 0.857 0.522 0.000 -0.079 0.000 3/19440 440.0 0.390 0.838 0.510 0.000 -0.078 0.000 3/19440 450.0 0.382 0.819 0.499 0.000 -0.076 0.000 3/19440 460.0 0.373 0.801 0.488 0.000 -0.074 0.000 3/19440 470.0 0.365 0.784 0.478 0.000 -0.073 0.000 3/19440 480.0 0.358 0.768 0.468 0.000 -0.071 0.000 3/19440 490.0 0.350 0.753 0.458 0.000 -0.070 0.000 3/19440 500.0 0.343 0.738 0.449 0.000 -0.069 0.000 3/19440 510.0 0.337 0.723 0.440 0.000 -0.067 0.000 3/19440 520.0 0.330 0.709 0.432 0.000 -0.066 0.000 3/19440 530.0 0.324 0.696 0.424 0.000 -0.065 0.000 3/19440 540.0 0.318 0.683 0.416 0.000 -0.064 0.000 3/19440 550.0 0.312 0.671 0.409 0.000 -0.062 0.000 3/19440 560.0 0.306 0.659 0.401 0.000 -0.061 0.000 3/19440 570.0 0.301 0.647 0.394 0.000 -0.060 0.000 3/19440 580.0 0.296 0.636 0.388 0.000 -0.059 0.000 3/19440 590.0 0.291 0.626 0.381 0.000 -0.058 0.000 3/19440 600.0 0.286 0.615 0.375 0.000 -0.057 0.000 3/19440 610.0 0.281 0.605 0.369 0.000 -0.056 0.000 3/19440 620.0 0.277 0.595 0.363 0.000 -0.055 0.000 3/19440 630.0 0.272 0.586 0.357 0.000 -0.055 0.000 3/19440 640.0 0.268 0.577 0.351 0.000 -0.054 0.000 3/19440 650.0 0.264 0.568 0.346 0.000 -0.053 0.000 3/19440 660.0 0.260 0.559 0.341 0.000 -0.052 0.000 3/19440 670.0 0.256 0.551 0.336 0.000 -0.051 0.000 3/19440 680.0 0.252 0.543 0.331 0.000 -0.051 0.000 3/19440 690.0 0.249 0.535 0.326 0.000 -0.050 0.000 3/19440 700.0 0.245 0.528 0.322 0.000 -0.049 0.000 3/19440 710.0 0.242 0.520 0.317 0.000 -0.049 0.000 3/19440 720.0 0.238 0.513 0.313 0.000 -0.048 0.000 3/19440 730.0 0.235 0.506 0.308 0.000 -0.047 0.000 3/19440 740.0 0.232 0.499 0.304 0.000 -0.047 0.000 3/19440 750.0 0.229 0.493 0.300 0.000 -0.046 0.000 3/19440 760.0 0.226 0.486 0.296 0.000 -0.045 0.000 3/19440 770.0 0.223 0.480 0.292 0.000 -0.045 0.000 3/19440 780.0 0.220 0.474 0.289 0.000 -0.044 0.000 3/19440 790.0 0.217 0.468 0.285 0.000 -0.044 0.000 3/19440 800.0 0.215 0.462 0.281 0.000 -0.043 0.000 3/19440 810.0 0.212 0.456 0.278 0.000 -0.043 0.000 3/19440 820.0 0.209 0.451 0.275 0.000 -0.042 0.000 3/19440 830.0 0.207 0.445 0.271 0.000 -0.042 0.000 3/19440 840.0 0.204 0.440 0.268 0.000 -0.041 0.000 3/19440 850.0 0.202 0.435 0.265 0.000 -0.041 0.000 3/19440 860.0 0.200 0.430 0.262 0.000 -0.040 0.000 3/19440 870.0 0.197 0.425 0.259 0.000 -0.040 0.000 3/19440 880.0 0.195 0.420 0.256 0.000 -0.039 0.000 3/19440 890.0 0.193 0.415 0.253 0.000 -0.039 0.000 3/19440 900.0 0.191 0.411 0.250 0.000 -0.038 0.000 3/19440 910.0 0.189 0.406 0.248 0.000 -0.038 0.000 3/19440 920.0 0.187 0.402 0.245 0.000 -0.038 0.000 3/19440 930.0 0.185 0.397 0.242 0.000 -0.037 0.000 3/19440 940.0 0.183 0.393 0.240 0.000 -0.037 0.000 3/19440 950.0 0.181 0.389 0.237 0.000 -0.036 0.000 3/19440 960.0 0.179 0.385 0.235 0.000 -0.036 0.000 3/19440 970.0 0.177 0.381 0.232 0.000 -0.036 0.000 3/19440 980.0 0.175 0.377 0.230 0.000 -0.035 0.000 3/19440 990.0 0.173 0.373 0.228 0.000 -0.035 0.000 3/19440 1000.0 0.172 0.370 0.225 0.000 -0.035 0.000 3/19440 Thermal conductivity related properties were written into "kappa-m495.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:16:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|