----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:12:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.976853810001454 -3.972185280000000 0.000000000000000 b 3.976853810001454 3.972185280000000 0.000000000000000 c -3.722856405444831 0.000000000000000 11.725351712849918 Atomic positions (fractional): *1 Al 0.87617804784864 0.12382195215136 0.75000000000000 26.982 *2 Al 0.34888178183764 0.32117832915204 0.65806664951156 26.982 *3 Al 0.34915480958132 0.82927965109161 0.65970264047034 26.982 *4 Al 0.19062938745512 0.46333194972485 0.41721128400667 26.982 5 Al 0.80937061254488 0.53666805027515 0.58278871599333 26.982 *6 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 7 Al 0.65111821816236 0.67882167084796 0.34193335048844 26.982 8 Al 0.65084519041868 0.17072034890839 0.34029735952966 26.982 9 Al 0.53666805027515 0.80937061254488 0.08278871599333 26.982 10 Al 0.12382195215136 0.87617804784864 0.25000000000000 26.982 11 Al 0.32117832915204 0.34888178183764 0.15806664951156 26.982 12 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 13 Al 0.82927965109161 0.34915480958132 0.15970264047034 26.982 14 Al 0.46333194972485 0.19062938745512 0.91721128400667 26.982 15 Al 0.67882167084796 0.65111821816236 0.84193335048844 26.982 16 Al 0.17072034890839 0.65084519041868 0.84029735952966 26.982 *17 O 0.57793038520457 0.58073908770278 0.66960793416990 15.999 *18 O 0.56971488680889 0.08357309712863 0.67623499462099 15.999 *19 O 0.11673965521950 0.58355649212247 0.67502033462550 15.999 *20 O 0.23365392011173 0.75818905238895 0.50449242827442 15.999 *21 O 0.10473590842657 0.07777939314076 0.66391907347235 15.999 *22 O 0.76806633571946 0.75152281843509 0.49607706344171 15.999 23 O 0.23193366428054 0.24847718156491 0.50392293655829 15.999 24 O 0.89526409157343 0.92222060685924 0.33608092652765 15.999 25 O 0.76634607988827 0.24181094761105 0.49550757172558 15.999 26 O 0.88326034478050 0.41644350787753 0.32497966537450 15.999 27 O 0.43028511319111 0.91642690287137 0.32376500537901 15.999 28 O 0.58355649212247 0.11673965521950 0.17502033462550 15.999 29 O 0.42206961479543 0.41926091229722 0.33039206583010 15.999 30 O 0.07777939314076 0.10473590842657 0.16391907347235 15.999 31 O 0.58073908770278 0.57793038520457 0.16960793416990 15.999 32 O 0.24847718156491 0.23193366428054 0.00392293655829 15.999 33 O 0.08357309712863 0.56971488680889 0.17623499462099 15.999 34 O 0.24181094761105 0.76634607988827 0.99550757172558 15.999 35 O 0.75818905238895 0.23365392011173 0.00449242827442 15.999 36 O 0.91642690287137 0.43028511319111 0.82376500537901 15.999 37 O 0.75152281843509 0.76806633571946 0.99607706344171 15.999 38 O 0.41926091229722 0.42206961479543 0.83039206583010 15.999 39 O 0.92222060685924 0.89526409157343 0.83608092652765 15.999 40 O 0.41644350787753 0.88326034478050 0.82497966537450 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.953707620002907 0.000000000000000 0.000000000000000 b 0.000000000000000 7.944370559999999 0.000000000000000 c -3.722856405444831 0.000000000000000 11.725351712849918 Atomic positions (fractional): *1 Al 0.00000000000000 0.12382195215136 0.75000000000000 26.982 > 1 *2 Al 0.83503005549484 0.48614827365720 0.65806664951156 26.982 > 2 *3 Al 0.08921723033647 0.74006242075515 0.65970264047034 26.982 > 3 *4 Al 0.82698066858998 0.63635128113486 0.41721128400667 26.982 > 4 5 Al 0.17301933141001 0.36364871886514 0.58278871599333 26.982 > 5 *6 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 6 7 Al 0.16496994450516 0.51385172634280 0.34193335048844 26.982 > 7 8 Al 0.91078276966353 0.25993757924485 0.34029735952966 26.982 > 8 9 Al 0.17301933141001 0.63635128113486 0.08278871599333 26.982 > 9 10 Al 0.00000000000000 0.87617804784864 0.25000000000000 26.982 > 10 11 Al 0.83503005549484 0.51385172634280 0.15806664951156 26.982 > 11 12 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 12 13 Al 0.08921723033647 0.25993757924485 0.15970264047034 26.982 > 13 14 Al 0.82698066858998 0.36364871886514 0.91721128400667 26.982 > 14 15 Al 0.16496994450516 0.48614827365720 0.84193335048844 26.982 > 15 16 Al 0.91078276966353 0.74006242075515 0.84029735952966 26.982 > 16 17 Al 0.50000000000000 0.62382195215136 0.75000000000000 26.982 > 1 18 Al 0.33503005549484 0.98614827365720 0.65806664951156 26.982 > 2 19 Al 0.58921723033647 0.24006242075515 0.65970264047034 26.982 > 3 20 Al 0.32698066858998 0.13635128113486 0.41721128400667 26.982 > 4 21 Al 0.67301933141002 0.86364871886514 0.58278871599333 26.982 > 5 22 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 6 23 Al 0.66496994450516 0.01385172634280 0.34193335048844 26.982 > 7 24 Al 0.41078276966353 0.75993757924485 0.34029735952966 26.982 > 8 25 Al 0.67301933141002 0.13635128113486 0.08278871599333 26.982 > 9 26 Al 0.50000000000000 0.37617804784864 0.25000000000000 26.982 > 10 27 Al 0.33503005549484 0.01385172634280 0.15806664951156 26.982 > 11 28 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 12 29 Al 0.58921723033647 0.75993757924485 0.15970264047034 26.982 > 13 30 Al 0.32698066858998 0.86364871886514 0.91721128400667 26.982 > 14 31 Al 0.66496994450516 0.98614827365720 0.84193335048844 26.982 > 15 32 Al 0.41078276966353 0.24006242075515 0.84029735952966 26.982 > 16 *33 O 0.07933473645368 0.50140435124911 0.66960793416990 15.999 > 17 *34 O 0.82664399196876 0.25692910515987 0.67623499462099 15.999 > 18 *35 O 0.85014807367099 0.73340841845148 0.67502033462550 15.999 > 19 *36 O 0.99592148625034 0.76226756613861 0.50449242827442 15.999 > 20 *37 O 0.59125765078366 0.48652174235709 0.66391907347235 15.999 > 21 *38 O 0.25979457707727 0.49172824135782 0.49607706344171 15.999 > 22 39 O 0.74020542292272 0.50827175864218 0.50392293655829 15.999 > 23 40 O 0.40874234921634 0.51347825764291 0.33608092652765 15.999 > 24 41 O 0.00407851374966 0.23773243386139 0.49550757172558 15.999 > 25 42 O 0.14985192632901 0.26659158154852 0.32497966537450 15.999 > 26 43 O 0.17335600803124 0.74307089484013 0.32376500537901 15.999 > 27 44 O 0.85014807367099 0.26659158154852 0.17502033462550 15.999 > 28 45 O 0.92066526354632 0.49859564875089 0.33039206583010 15.999 > 29 46 O 0.59125765078366 0.51347825764291 0.16391907347235 15.999 > 30 47 O 0.07933473645368 0.49859564875089 0.16960793416990 15.999 > 31 48 O 0.74020542292272 0.49172824135782 0.00392293655829 15.999 > 32 49 O 0.82664399196876 0.74307089484013 0.17623499462099 15.999 > 33 50 O 0.00407851374966 0.76226756613861 0.99550757172558 15.999 > 34 51 O 0.99592148625034 0.23773243386139 0.00449242827442 15.999 > 35 52 O 0.17335600803124 0.25692910515987 0.82376500537901 15.999 > 36 53 O 0.25979457707727 0.50827175864218 0.99607706344171 15.999 > 37 54 O 0.92066526354632 0.50140435124911 0.83039206583010 15.999 > 38 55 O 0.40874234921634 0.48652174235709 0.83608092652765 15.999 > 39 56 O 0.14985192632901 0.73340841845148 0.82497966537450 15.999 > 40 57 O 0.57933473645368 0.00140435124911 0.66960793416990 15.999 > 17 58 O 0.32664399196876 0.75692910515987 0.67623499462099 15.999 > 18 59 O 0.35014807367099 0.23340841845148 0.67502033462550 15.999 > 19 60 O 0.49592148625034 0.26226756613861 0.50449242827442 15.999 > 20 61 O 0.09125765078366 0.98652174235709 0.66391907347235 15.999 > 21 62 O 0.75979457707728 0.99172824135782 0.49607706344171 15.999 > 22 63 O 0.24020542292273 0.00827175864218 0.50392293655829 15.999 > 23 64 O 0.90874234921634 0.01347825764291 0.33608092652765 15.999 > 24 65 O 0.50407851374966 0.73773243386139 0.49550757172558 15.999 > 25 66 O 0.64985192632901 0.76659158154852 0.32497966537450 15.999 > 26 67 O 0.67335600803124 0.24307089484013 0.32376500537901 15.999 > 27 68 O 0.35014807367099 0.76659158154852 0.17502033462550 15.999 > 28 69 O 0.42066526354632 0.99859564875089 0.33039206583010 15.999 > 29 70 O 0.09125765078366 0.01347825764291 0.16391907347235 15.999 > 30 71 O 0.57933473645368 0.99859564875089 0.16960793416990 15.999 > 31 72 O 0.24020542292273 0.99172824135782 0.00392293655829 15.999 > 32 73 O 0.32664399196876 0.24307089484013 0.17623499462099 15.999 > 33 74 O 0.50407851374966 0.26226756613861 0.99550757172558 15.999 > 34 75 O 0.49592148625034 0.73773243386139 0.00449242827442 15.999 > 35 76 O 0.67335600803124 0.75692910515987 0.82376500537901 15.999 > 36 77 O 0.75979457707728 0.00827175864218 0.99607706344171 15.999 > 37 78 O 0.42066526354632 0.00140435124911 0.83039206583010 15.999 > 38 79 O 0.90874234921634 0.98652174235709 0.83608092652765 15.999 > 39 80 O 0.64985192632901 0.23340841845148 0.82497966537450 15.999 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.953707620002907 0.000000000000000 0.000000000000000 b 0.000000000000000 7.944370559999999 0.000000000000000 c -3.722856405444831 0.000000000000000 11.725351712849918 Atomic positions (fractional): *1 Al 0.00000000000000 0.12382195215136 0.75000000000000 26.982 > 1 *2 Al 0.83503005549484 0.48614827365720 0.65806664951156 26.982 > 2 *3 Al 0.08921723033647 0.74006242075515 0.65970264047034 26.982 > 3 *4 Al 0.82698066858998 0.63635128113486 0.41721128400667 26.982 > 4 5 Al 0.17301933141001 0.36364871886514 0.58278871599333 26.982 > 5 *6 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 6 7 Al 0.16496994450516 0.51385172634280 0.34193335048844 26.982 > 7 8 Al 0.91078276966353 0.25993757924485 0.34029735952966 26.982 > 8 9 Al 0.17301933141001 0.63635128113486 0.08278871599333 26.982 > 9 10 Al 0.00000000000000 0.87617804784864 0.25000000000000 26.982 > 10 11 Al 0.83503005549484 0.51385172634280 0.15806664951156 26.982 > 11 12 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 12 13 Al 0.08921723033647 0.25993757924485 0.15970264047034 26.982 > 13 14 Al 0.82698066858998 0.36364871886514 0.91721128400667 26.982 > 14 15 Al 0.16496994450516 0.48614827365720 0.84193335048844 26.982 > 15 16 Al 0.91078276966353 0.74006242075515 0.84029735952966 26.982 > 16 17 Al 0.50000000000000 0.62382195215136 0.75000000000000 26.982 > 1 18 Al 0.33503005549484 0.98614827365720 0.65806664951156 26.982 > 2 19 Al 0.58921723033647 0.24006242075515 0.65970264047034 26.982 > 3 20 Al 0.32698066858998 0.13635128113486 0.41721128400667 26.982 > 4 21 Al 0.67301933141002 0.86364871886514 0.58278871599333 26.982 > 5 22 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 6 23 Al 0.66496994450516 0.01385172634280 0.34193335048844 26.982 > 7 24 Al 0.41078276966353 0.75993757924485 0.34029735952966 26.982 > 8 25 Al 0.67301933141002 0.13635128113486 0.08278871599333 26.982 > 9 26 Al 0.50000000000000 0.37617804784864 0.25000000000000 26.982 > 10 27 Al 0.33503005549484 0.01385172634280 0.15806664951156 26.982 > 11 28 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 12 29 Al 0.58921723033647 0.75993757924485 0.15970264047034 26.982 > 13 30 Al 0.32698066858998 0.86364871886514 0.91721128400667 26.982 > 14 31 Al 0.66496994450516 0.98614827365720 0.84193335048844 26.982 > 15 32 Al 0.41078276966353 0.24006242075515 0.84029735952966 26.982 > 16 *33 O 0.07933473645368 0.50140435124911 0.66960793416990 15.999 > 17 *34 O 0.82664399196876 0.25692910515987 0.67623499462099 15.999 > 18 *35 O 0.85014807367099 0.73340841845148 0.67502033462550 15.999 > 19 *36 O 0.99592148625034 0.76226756613861 0.50449242827442 15.999 > 20 *37 O 0.59125765078366 0.48652174235709 0.66391907347235 15.999 > 21 *38 O 0.25979457707727 0.49172824135782 0.49607706344171 15.999 > 22 39 O 0.74020542292272 0.50827175864218 0.50392293655829 15.999 > 23 40 O 0.40874234921634 0.51347825764291 0.33608092652765 15.999 > 24 41 O 0.00407851374966 0.23773243386139 0.49550757172558 15.999 > 25 42 O 0.14985192632901 0.26659158154852 0.32497966537450 15.999 > 26 43 O 0.17335600803124 0.74307089484013 0.32376500537901 15.999 > 27 44 O 0.85014807367099 0.26659158154852 0.17502033462550 15.999 > 28 45 O 0.92066526354632 0.49859564875089 0.33039206583010 15.999 > 29 46 O 0.59125765078366 0.51347825764291 0.16391907347235 15.999 > 30 47 O 0.07933473645368 0.49859564875089 0.16960793416990 15.999 > 31 48 O 0.74020542292272 0.49172824135782 0.00392293655829 15.999 > 32 49 O 0.82664399196876 0.74307089484013 0.17623499462099 15.999 > 33 50 O 0.00407851374966 0.76226756613861 0.99550757172558 15.999 > 34 51 O 0.99592148625034 0.23773243386139 0.00449242827442 15.999 > 35 52 O 0.17335600803124 0.25692910515987 0.82376500537901 15.999 > 36 53 O 0.25979457707727 0.50827175864218 0.99607706344171 15.999 > 37 54 O 0.92066526354632 0.50140435124911 0.83039206583010 15.999 > 38 55 O 0.40874234921634 0.48652174235709 0.83608092652765 15.999 > 39 56 O 0.14985192632901 0.73340841845148 0.82497966537450 15.999 > 40 57 O 0.57933473645368 0.00140435124911 0.66960793416990 15.999 > 17 58 O 0.32664399196876 0.75692910515987 0.67623499462099 15.999 > 18 59 O 0.35014807367099 0.23340841845148 0.67502033462550 15.999 > 19 60 O 0.49592148625034 0.26226756613861 0.50449242827442 15.999 > 20 61 O 0.09125765078366 0.98652174235709 0.66391907347235 15.999 > 21 62 O 0.75979457707728 0.99172824135782 0.49607706344171 15.999 > 22 63 O 0.24020542292273 0.00827175864218 0.50392293655829 15.999 > 23 64 O 0.90874234921634 0.01347825764291 0.33608092652765 15.999 > 24 65 O 0.50407851374966 0.73773243386139 0.49550757172558 15.999 > 25 66 O 0.64985192632901 0.76659158154852 0.32497966537450 15.999 > 26 67 O 0.67335600803124 0.24307089484013 0.32376500537901 15.999 > 27 68 O 0.35014807367099 0.76659158154852 0.17502033462550 15.999 > 28 69 O 0.42066526354632 0.99859564875089 0.33039206583010 15.999 > 29 70 O 0.09125765078366 0.01347825764291 0.16391907347235 15.999 > 30 71 O 0.57933473645368 0.99859564875089 0.16960793416990 15.999 > 31 72 O 0.24020542292273 0.99172824135782 0.00392293655829 15.999 > 32 73 O 0.32664399196876 0.24307089484013 0.17623499462099 15.999 > 33 74 O 0.50407851374966 0.26226756613861 0.99550757172558 15.999 > 34 75 O 0.49592148625034 0.73773243386139 0.00449242827442 15.999 > 35 76 O 0.67335600803124 0.75692910515987 0.82376500537901 15.999 > 36 77 O 0.75979457707728 0.00827175864218 0.99607706344171 15.999 > 37 78 O 0.42066526354632 0.00140435124911 0.83039206583010 15.999 > 38 79 O 0.90874234921634 0.98652174235709 0.83608092652765 15.999 > 39 80 O 0.64985192632901 0.23340841845148 0.82497966537450 15.999 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1901812 0.0000000 0.0160187 0.0000000 3.1898632 0.0000000 0.0160189 0.0000000 3.1985017 -------------------------- Born effective charges -------------------------- 1 Al 2.8986146 -0.0000000 -0.0835588 -0.0000000 2.9026290 -0.0000000 -0.1639880 0.0000000 2.6209386 2 Al 2.9087778 0.0910763 0.1232576 0.0935850 2.9254425 -0.1132458 0.1234476 -0.1280925 2.8955330 3 Al 2.9161086 0.1194326 0.1330816 0.1186506 2.8934398 -0.1047420 0.1263005 -0.1251399 2.9243522 4 Al 2.7610221 -0.1439362 -0.1370142 -0.1457900 2.7596806 0.0965640 -0.0978171 0.0338928 2.8978177 5 Al 2.7610221 -0.1439362 -0.1370142 -0.1457900 2.7596806 0.0965640 -0.0978171 0.0338928 2.8978177 6 Al 2.9236194 0.3069723 0.1309915 0.3042309 2.9190894 -0.0996220 0.1509969 -0.1226655 2.8613069 7 Al 2.9087778 0.0910763 0.1232576 0.0935850 2.9254425 -0.1132458 0.1234476 -0.1280925 2.8955330 8 Al 2.9161086 0.1194326 0.1330816 0.1186506 2.8934398 -0.1047420 0.1263005 -0.1251399 2.9243522 9 Al 2.7610221 0.1439362 -0.1370142 0.1457900 2.7596806 -0.0965640 -0.0978171 -0.0338928 2.8978177 10 Al 2.8986146 -0.0000000 -0.0835588 -0.0000000 2.9026290 -0.0000000 -0.1639880 0.0000000 2.6209386 11 Al 2.9087778 -0.0910763 0.1232576 -0.0935850 2.9254425 0.1132458 0.1234476 0.1280925 2.8955330 12 Al 2.9236194 -0.3069723 0.1309915 -0.3042309 2.9190894 0.0996220 0.1509969 0.1226655 2.8613069 13 Al 2.9161086 -0.1194326 0.1330816 -0.1186506 2.8934398 0.1047420 0.1263005 0.1251399 2.9243522 14 Al 2.7610221 0.1439362 -0.1370142 0.1457900 2.7596806 -0.0965640 -0.0978171 -0.0338928 2.8978177 15 Al 2.9087778 -0.0910763 0.1232576 -0.0935850 2.9254425 0.1132458 0.1234476 0.1280925 2.8955330 16 Al 2.9161086 -0.1194326 0.1330816 -0.1186506 2.8934398 0.1047420 0.1263005 0.1251399 2.9243522 17 O -1.9651022 0.1785251 0.0963361 0.1844907 -1.9912104 -0.0841385 0.1230205 -0.1200618 -1.9355289 18 O -2.0787704 0.1076711 -0.2043884 0.0963130 -2.0530181 0.1984426 -0.1558425 0.1741895 -1.4638191 19 O -1.9421929 0.1230944 -0.0700905 0.1200304 -1.9140773 0.0782132 -0.1013121 0.1010282 -1.9946946 20 O -1.5262301 -0.1632984 -0.1886077 -0.1695506 -2.0171425 -0.1043772 -0.1991761 -0.0778157 -2.0670291 21 O -1.9661958 0.0657591 0.1224812 0.0735219 -1.9881785 -0.1397747 0.1085405 -0.1024983 -1.9528740 22 O -2.0185341 -0.1732155 0.1012279 -0.1637706 -1.5257954 0.1833025 0.0793341 0.2032236 -2.0448797 23 O -2.0185341 -0.1732155 0.1012279 -0.1637706 -1.5257954 0.1833025 0.0793341 0.2032236 -2.0448797 24 O -1.9661958 0.0657591 0.1224812 0.0735219 -1.9881785 -0.1397747 0.1085405 -0.1024983 -1.9528740 25 O -1.5262301 -0.1632984 -0.1886077 -0.1695506 -2.0171425 -0.1043772 -0.1991761 -0.0778157 -2.0670291 26 O -1.9421929 0.1230944 -0.0700905 0.1200304 -1.9140773 0.0782132 -0.1013121 0.1010282 -1.9946946 27 O -2.0787704 0.1076711 -0.2043884 0.0963130 -2.0530181 0.1984426 -0.1558425 0.1741895 -1.4638191 28 O -1.9421929 -0.1230944 -0.0700905 -0.1200304 -1.9140773 -0.0782132 -0.1013121 -0.1010282 -1.9946946 29 O -1.9651022 0.1785251 0.0963361 0.1844907 -1.9912104 -0.0841385 0.1230205 -0.1200618 -1.9355289 30 O -1.9661958 -0.0657591 0.1224812 -0.0735219 -1.9881785 0.1397747 0.1085405 0.1024983 -1.9528740 31 O -1.9651022 -0.1785251 0.0963361 -0.1844907 -1.9912104 0.0841385 0.1230205 0.1200618 -1.9355289 32 O -2.0185341 0.1732155 0.1012279 0.1637706 -1.5257954 -0.1833025 0.0793341 -0.2032236 -2.0448797 33 O -2.0787704 -0.1076711 -0.2043884 -0.0963130 -2.0530181 -0.1984426 -0.1558425 -0.1741895 -1.4638191 34 O -1.5262301 0.1632984 -0.1886077 0.1695506 -2.0171425 0.1043772 -0.1991761 0.0778157 -2.0670291 35 O -1.5262301 0.1632984 -0.1886077 0.1695506 -2.0171425 0.1043772 -0.1991761 0.0778157 -2.0670291 36 O -2.0787704 -0.1076711 -0.2043884 -0.0963130 -2.0530181 -0.1984426 -0.1558425 -0.1741895 -1.4638191 37 O -2.0185341 0.1732155 0.1012279 0.1637706 -1.5257954 -0.1833025 0.0793341 -0.2032236 -2.0448797 38 O -1.9651022 -0.1785251 0.0963361 -0.1844907 -1.9912104 0.0841385 0.1230205 0.1200618 -1.9355289 39 O -1.9661958 -0.0657591 0.1224812 -0.0735219 -1.9881785 0.1397747 0.1085405 0.1024983 -1.9528740 40 O -1.9421929 -0.1230944 -0.0700905 -0.1200304 -1.9140773 -0.0782132 -0.1013121 -0.1010282 -1.9946946 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 18084/18084 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3730 Number of blocks in projector: 3730 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: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 804 / 804 (1) 291 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3730, 3636), data: False |-- (442, 431), data: True |-- (442, 431), data: True |-- (442, 431), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (804, 783), data: False |-- (804, 13), data: (804, 34) @ (34, 13) |-- (304, 291), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.826 Solver_block: 200 / 1200 - Time: 0.659 Solver_block: 300 / 1200 - Time: 0.659 Solver_block: 400 / 1200 - Time: 0.668 Solver_block: 500 / 1200 - Time: 0.666 Solver_block: 600 / 1200 - Time: 0.663 Solver_block: 700 / 1200 - Time: 0.667 Solver_block: 800 / 1200 - Time: 0.660 Solver_block: 900 / 1200 - Time: 0.661 Solver_block: 1000 / 1200 - Time: 0.656 Solver_block: 1100 / 1200 - Time: 0.667 Solver_block: 1200 / 1200 - Time: 0.668 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.298 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 18084/18084 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3730 Number of blocks in projector: 3730 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: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 804 / 804 (1) 291 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3730, 3636), data: False |-- (442, 431), data: True |-- (442, 431), data: True |-- (442, 431), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (804, 783), data: False |-- (804, 13), data: (804, 34) @ (34, 13) |-- (304, 291), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:13:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:13:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.976853810001454 -3.972185280000000 0.000000000000000 b 3.976853810001454 3.972185280000000 0.000000000000000 c -3.722856405444831 0.000000000000000 11.725351712849918 Atomic positions (fractional): 1 Al 0.87617804784864 0.12382195215136 0.75000000000000 26.982 2 Al 0.34888178183764 0.32117832915204 0.65806664951156 26.982 3 Al 0.34915480958132 0.82927965109161 0.65970264047034 26.982 4 Al 0.19062938745512 0.46333194972485 0.41721128400667 26.982 5 Al 0.80937061254488 0.53666805027515 0.58278871599333 26.982 6 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 7 Al 0.65111821816236 0.67882167084796 0.34193335048844 26.982 8 Al 0.65084519041868 0.17072034890839 0.34029735952966 26.982 9 Al 0.53666805027515 0.80937061254488 0.08278871599333 26.982 10 Al 0.12382195215136 0.87617804784864 0.25000000000000 26.982 11 Al 0.32117832915204 0.34888178183764 0.15806664951156 26.982 12 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 13 Al 0.82927965109161 0.34915480958132 0.15970264047034 26.982 14 Al 0.46333194972485 0.19062938745512 0.91721128400667 26.982 15 Al 0.67882167084796 0.65111821816236 0.84193335048844 26.982 16 Al 0.17072034890839 0.65084519041868 0.84029735952966 26.982 17 O 0.57793038520457 0.58073908770278 0.66960793416990 15.999 18 O 0.56971488680889 0.08357309712863 0.67623499462099 15.999 19 O 0.11673965521950 0.58355649212247 0.67502033462550 15.999 20 O 0.23365392011173 0.75818905238895 0.50449242827442 15.999 21 O 0.10473590842657 0.07777939314076 0.66391907347235 15.999 22 O 0.76806633571946 0.75152281843509 0.49607706344171 15.999 23 O 0.23193366428054 0.24847718156491 0.50392293655829 15.999 24 O 0.89526409157343 0.92222060685924 0.33608092652765 15.999 25 O 0.76634607988827 0.24181094761105 0.49550757172558 15.999 26 O 0.88326034478050 0.41644350787753 0.32497966537450 15.999 27 O 0.43028511319111 0.91642690287137 0.32376500537901 15.999 28 O 0.58355649212247 0.11673965521950 0.17502033462550 15.999 29 O 0.42206961479543 0.41926091229722 0.33039206583010 15.999 30 O 0.07777939314076 0.10473590842657 0.16391907347235 15.999 31 O 0.58073908770278 0.57793038520457 0.16960793416990 15.999 32 O 0.24847718156491 0.23193366428054 0.00392293655829 15.999 33 O 0.08357309712863 0.56971488680889 0.17623499462099 15.999 34 O 0.24181094761105 0.76634607988827 0.99550757172558 15.999 35 O 0.75818905238895 0.23365392011173 0.00449242827442 15.999 36 O 0.91642690287137 0.43028511319111 0.82376500537901 15.999 37 O 0.75152281843509 0.76806633571946 0.99607706344171 15.999 38 O 0.41926091229722 0.42206961479543 0.83039206583010 15.999 39 O 0.92222060685924 0.89526409157343 0.83608092652765 15.999 40 O 0.41644350787753 0.88326034478050 0.82497966537450 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.953707620002907 0.000000000000000 0.000000000000000 b 0.000000000000000 7.944370559999999 0.000000000000000 c -3.722856405444831 0.000000000000000 11.725351712849918 Atomic positions (fractional): 1 Al 0.00000000000000 0.12382195215136 0.75000000000000 26.982 > 1 2 Al 0.83503005549484 0.48614827365720 0.65806664951156 26.982 > 2 3 Al 0.08921723033647 0.74006242075515 0.65970264047034 26.982 > 3 4 Al 0.82698066858998 0.63635128113486 0.41721128400667 26.982 > 4 5 Al 0.17301933141001 0.36364871886514 0.58278871599333 26.982 > 5 6 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 6 7 Al 0.16496994450516 0.51385172634280 0.34193335048844 26.982 > 7 8 Al 0.91078276966353 0.25993757924485 0.34029735952966 26.982 > 8 9 Al 0.17301933141001 0.63635128113486 0.08278871599333 26.982 > 9 10 Al 0.00000000000000 0.87617804784864 0.25000000000000 26.982 > 10 11 Al 0.83503005549484 0.51385172634280 0.15806664951156 26.982 > 11 12 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 12 13 Al 0.08921723033647 0.25993757924485 0.15970264047034 26.982 > 13 14 Al 0.82698066858998 0.36364871886514 0.91721128400667 26.982 > 14 15 Al 0.16496994450516 0.48614827365720 0.84193335048844 26.982 > 15 16 Al 0.91078276966353 0.74006242075515 0.84029735952966 26.982 > 16 17 Al 0.50000000000000 0.62382195215136 0.75000000000000 26.982 > 1 18 Al 0.33503005549484 0.98614827365720 0.65806664951156 26.982 > 2 19 Al 0.58921723033647 0.24006242075515 0.65970264047034 26.982 > 3 20 Al 0.32698066858998 0.13635128113486 0.41721128400667 26.982 > 4 21 Al 0.67301933141002 0.86364871886514 0.58278871599333 26.982 > 5 22 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 6 23 Al 0.66496994450516 0.01385172634280 0.34193335048844 26.982 > 7 24 Al 0.41078276966353 0.75993757924485 0.34029735952966 26.982 > 8 25 Al 0.67301933141002 0.13635128113486 0.08278871599333 26.982 > 9 26 Al 0.50000000000000 0.37617804784864 0.25000000000000 26.982 > 10 27 Al 0.33503005549484 0.01385172634280 0.15806664951156 26.982 > 11 28 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 12 29 Al 0.58921723033647 0.75993757924485 0.15970264047034 26.982 > 13 30 Al 0.32698066858998 0.86364871886514 0.91721128400667 26.982 > 14 31 Al 0.66496994450516 0.98614827365720 0.84193335048844 26.982 > 15 32 Al 0.41078276966353 0.24006242075515 0.84029735952966 26.982 > 16 33 O 0.07933473645368 0.50140435124911 0.66960793416990 15.999 > 33 34 O 0.82664399196876 0.25692910515987 0.67623499462099 15.999 > 34 35 O 0.85014807367099 0.73340841845148 0.67502033462550 15.999 > 35 36 O 0.99592148625034 0.76226756613861 0.50449242827442 15.999 > 36 37 O 0.59125765078366 0.48652174235709 0.66391907347235 15.999 > 37 38 O 0.25979457707727 0.49172824135782 0.49607706344171 15.999 > 38 39 O 0.74020542292272 0.50827175864218 0.50392293655829 15.999 > 39 40 O 0.40874234921634 0.51347825764291 0.33608092652765 15.999 > 40 41 O 0.00407851374966 0.23773243386139 0.49550757172558 15.999 > 41 42 O 0.14985192632901 0.26659158154852 0.32497966537450 15.999 > 42 43 O 0.17335600803124 0.74307089484013 0.32376500537901 15.999 > 43 44 O 0.85014807367099 0.26659158154852 0.17502033462550 15.999 > 44 45 O 0.92066526354632 0.49859564875089 0.33039206583010 15.999 > 45 46 O 0.59125765078366 0.51347825764291 0.16391907347235 15.999 > 46 47 O 0.07933473645368 0.49859564875089 0.16960793416990 15.999 > 47 48 O 0.74020542292272 0.49172824135782 0.00392293655829 15.999 > 48 49 O 0.82664399196876 0.74307089484013 0.17623499462099 15.999 > 49 50 O 0.00407851374966 0.76226756613861 0.99550757172558 15.999 > 50 51 O 0.99592148625034 0.23773243386139 0.00449242827442 15.999 > 51 52 O 0.17335600803124 0.25692910515987 0.82376500537901 15.999 > 52 53 O 0.25979457707727 0.50827175864218 0.99607706344171 15.999 > 53 54 O 0.92066526354632 0.50140435124911 0.83039206583010 15.999 > 54 55 O 0.40874234921634 0.48652174235709 0.83608092652765 15.999 > 55 56 O 0.14985192632901 0.73340841845148 0.82497966537450 15.999 > 56 57 O 0.57933473645368 0.00140435124911 0.66960793416990 15.999 > 33 58 O 0.32664399196876 0.75692910515987 0.67623499462099 15.999 > 34 59 O 0.35014807367099 0.23340841845148 0.67502033462550 15.999 > 35 60 O 0.49592148625034 0.26226756613861 0.50449242827442 15.999 > 36 61 O 0.09125765078366 0.98652174235709 0.66391907347235 15.999 > 37 62 O 0.75979457707728 0.99172824135782 0.49607706344171 15.999 > 38 63 O 0.24020542292273 0.00827175864218 0.50392293655829 15.999 > 39 64 O 0.90874234921634 0.01347825764291 0.33608092652765 15.999 > 40 65 O 0.50407851374966 0.73773243386139 0.49550757172558 15.999 > 41 66 O 0.64985192632901 0.76659158154852 0.32497966537450 15.999 > 42 67 O 0.67335600803124 0.24307089484013 0.32376500537901 15.999 > 43 68 O 0.35014807367099 0.76659158154852 0.17502033462550 15.999 > 44 69 O 0.42066526354632 0.99859564875089 0.33039206583010 15.999 > 45 70 O 0.09125765078366 0.01347825764291 0.16391907347235 15.999 > 46 71 O 0.57933473645368 0.99859564875089 0.16960793416990 15.999 > 47 72 O 0.24020542292273 0.99172824135782 0.00392293655829 15.999 > 48 73 O 0.32664399196876 0.24307089484013 0.17623499462099 15.999 > 49 74 O 0.50407851374966 0.26226756613861 0.99550757172558 15.999 > 50 75 O 0.49592148625034 0.73773243386139 0.00449242827442 15.999 > 51 76 O 0.67335600803124 0.75692910515987 0.82376500537901 15.999 > 52 77 O 0.75979457707728 0.00827175864218 0.99607706344171 15.999 > 53 78 O 0.42066526354632 0.00140435124911 0.83039206583010 15.999 > 54 79 O 0.90874234921634 0.98652174235709 0.83608092652765 15.999 > 55 80 O 0.64985192632901 0.23340841845148 0.82497966537450 15.999 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1901812 0.0000000 0.0160187 0.0000000 3.1898632 0.0000000 0.0160189 0.0000000 3.1985017 -------------------------- Born effective charges -------------------------- 1 Al 2.8986146 -0.0000000 -0.0835588 -0.0000000 2.9026290 -0.0000000 -0.1639880 0.0000000 2.6209386 2 Al 2.9087778 0.0910763 0.1232576 0.0935850 2.9254425 -0.1132458 0.1234476 -0.1280925 2.8955330 3 Al 2.9161086 0.1194326 0.1330816 0.1186506 2.8934398 -0.1047420 0.1263005 -0.1251399 2.9243522 4 Al 2.7610221 -0.1439362 -0.1370142 -0.1457900 2.7596806 0.0965640 -0.0978171 0.0338928 2.8978177 5 Al 2.7610221 -0.1439362 -0.1370142 -0.1457900 2.7596806 0.0965640 -0.0978171 0.0338928 2.8978177 6 Al 2.9236194 0.3069723 0.1309915 0.3042309 2.9190894 -0.0996220 0.1509969 -0.1226655 2.8613069 7 Al 2.9087778 0.0910763 0.1232576 0.0935850 2.9254425 -0.1132458 0.1234476 -0.1280925 2.8955330 8 Al 2.9161086 0.1194326 0.1330816 0.1186506 2.8934398 -0.1047420 0.1263005 -0.1251399 2.9243522 9 Al 2.7610221 0.1439362 -0.1370142 0.1457900 2.7596806 -0.0965640 -0.0978171 -0.0338928 2.8978177 10 Al 2.8986146 -0.0000000 -0.0835588 -0.0000000 2.9026290 -0.0000000 -0.1639880 0.0000000 2.6209386 11 Al 2.9087778 -0.0910763 0.1232576 -0.0935850 2.9254425 0.1132458 0.1234476 0.1280925 2.8955330 12 Al 2.9236194 -0.3069723 0.1309915 -0.3042309 2.9190894 0.0996220 0.1509969 0.1226655 2.8613069 13 Al 2.9161086 -0.1194326 0.1330816 -0.1186506 2.8934398 0.1047420 0.1263005 0.1251399 2.9243522 14 Al 2.7610221 0.1439362 -0.1370142 0.1457900 2.7596806 -0.0965640 -0.0978171 -0.0338928 2.8978177 15 Al 2.9087778 -0.0910763 0.1232576 -0.0935850 2.9254425 0.1132458 0.1234476 0.1280925 2.8955330 16 Al 2.9161086 -0.1194326 0.1330816 -0.1186506 2.8934398 0.1047420 0.1263005 0.1251399 2.9243522 17 O -1.9651022 0.1785251 0.0963361 0.1844907 -1.9912104 -0.0841385 0.1230205 -0.1200618 -1.9355289 18 O -2.0787704 0.1076711 -0.2043884 0.0963130 -2.0530181 0.1984426 -0.1558425 0.1741895 -1.4638191 19 O -1.9421929 0.1230944 -0.0700905 0.1200304 -1.9140773 0.0782132 -0.1013121 0.1010282 -1.9946946 20 O -1.5262301 -0.1632984 -0.1886077 -0.1695506 -2.0171425 -0.1043772 -0.1991761 -0.0778157 -2.0670291 21 O -1.9661958 0.0657591 0.1224812 0.0735219 -1.9881785 -0.1397747 0.1085405 -0.1024983 -1.9528740 22 O -2.0185341 -0.1732155 0.1012279 -0.1637706 -1.5257954 0.1833025 0.0793341 0.2032236 -2.0448797 23 O -2.0185341 -0.1732155 0.1012279 -0.1637706 -1.5257954 0.1833025 0.0793341 0.2032236 -2.0448797 24 O -1.9661958 0.0657591 0.1224812 0.0735219 -1.9881785 -0.1397747 0.1085405 -0.1024983 -1.9528740 25 O -1.5262301 -0.1632984 -0.1886077 -0.1695506 -2.0171425 -0.1043772 -0.1991761 -0.0778157 -2.0670291 26 O -1.9421929 0.1230944 -0.0700905 0.1200304 -1.9140773 0.0782132 -0.1013121 0.1010282 -1.9946946 27 O -2.0787704 0.1076711 -0.2043884 0.0963130 -2.0530181 0.1984426 -0.1558425 0.1741895 -1.4638191 28 O -1.9421929 -0.1230944 -0.0700905 -0.1200304 -1.9140773 -0.0782132 -0.1013121 -0.1010282 -1.9946946 29 O -1.9651022 0.1785251 0.0963361 0.1844907 -1.9912104 -0.0841385 0.1230205 -0.1200618 -1.9355289 30 O -1.9661958 -0.0657591 0.1224812 -0.0735219 -1.9881785 0.1397747 0.1085405 0.1024983 -1.9528740 31 O -1.9651022 -0.1785251 0.0963361 -0.1844907 -1.9912104 0.0841385 0.1230205 0.1200618 -1.9355289 32 O -2.0185341 0.1732155 0.1012279 0.1637706 -1.5257954 -0.1833025 0.0793341 -0.2032236 -2.0448797 33 O -2.0787704 -0.1076711 -0.2043884 -0.0963130 -2.0530181 -0.1984426 -0.1558425 -0.1741895 -1.4638191 34 O -1.5262301 0.1632984 -0.1886077 0.1695506 -2.0171425 0.1043772 -0.1991761 0.0778157 -2.0670291 35 O -1.5262301 0.1632984 -0.1886077 0.1695506 -2.0171425 0.1043772 -0.1991761 0.0778157 -2.0670291 36 O -2.0787704 -0.1076711 -0.2043884 -0.0963130 -2.0530181 -0.1984426 -0.1558425 -0.1741895 -1.4638191 37 O -2.0185341 0.1732155 0.1012279 0.1637706 -1.5257954 -0.1833025 0.0793341 -0.2032236 -2.0448797 38 O -1.9651022 -0.1785251 0.0963361 -0.1844907 -1.9912104 0.0841385 0.1230205 0.1200618 -1.9355289 39 O -1.9661958 -0.0657591 0.1224812 -0.0735219 -1.9881785 0.1397747 0.1085405 0.1024983 -1.9528740 40 O -1.9421929 -0.1230944 -0.0700905 -0.1200304 -1.9140773 -0.0782132 -0.1013121 -0.1010282 -1.9946946 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 2, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 3, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 4, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 6, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 34, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 35, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 36, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 38, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:13:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:13:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.976853810001454 -3.972185280000000 0.000000000000000 b 3.976853810001454 3.972185280000000 0.000000000000000 c -3.722856405444831 0.000000000000000 11.725351712849918 Atomic positions (fractional): 1 Al 0.87617804784864 0.12382195215136 0.75000000000000 26.982 2 Al 0.34888178183764 0.32117832915204 0.65806664951156 26.982 3 Al 0.34915480958132 0.82927965109161 0.65970264047034 26.982 4 Al 0.19062938745512 0.46333194972485 0.41721128400667 26.982 5 Al 0.80937061254488 0.53666805027515 0.58278871599333 26.982 6 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 7 Al 0.65111821816236 0.67882167084796 0.34193335048844 26.982 8 Al 0.65084519041868 0.17072034890839 0.34029735952966 26.982 9 Al 0.53666805027515 0.80937061254488 0.08278871599333 26.982 10 Al 0.12382195215136 0.87617804784864 0.25000000000000 26.982 11 Al 0.32117832915204 0.34888178183764 0.15806664951156 26.982 12 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 13 Al 0.82927965109161 0.34915480958132 0.15970264047034 26.982 14 Al 0.46333194972485 0.19062938745512 0.91721128400667 26.982 15 Al 0.67882167084796 0.65111821816236 0.84193335048844 26.982 16 Al 0.17072034890839 0.65084519041868 0.84029735952966 26.982 17 O 0.57793038520457 0.58073908770278 0.66960793416990 15.999 18 O 0.56971488680889 0.08357309712863 0.67623499462099 15.999 19 O 0.11673965521950 0.58355649212247 0.67502033462550 15.999 20 O 0.23365392011173 0.75818905238895 0.50449242827442 15.999 21 O 0.10473590842657 0.07777939314076 0.66391907347235 15.999 22 O 0.76806633571946 0.75152281843509 0.49607706344171 15.999 23 O 0.23193366428054 0.24847718156491 0.50392293655829 15.999 24 O 0.89526409157343 0.92222060685924 0.33608092652765 15.999 25 O 0.76634607988827 0.24181094761105 0.49550757172558 15.999 26 O 0.88326034478050 0.41644350787753 0.32497966537450 15.999 27 O 0.43028511319111 0.91642690287137 0.32376500537901 15.999 28 O 0.58355649212247 0.11673965521950 0.17502033462550 15.999 29 O 0.42206961479543 0.41926091229722 0.33039206583010 15.999 30 O 0.07777939314076 0.10473590842657 0.16391907347235 15.999 31 O 0.58073908770278 0.57793038520457 0.16960793416990 15.999 32 O 0.24847718156491 0.23193366428054 0.00392293655829 15.999 33 O 0.08357309712863 0.56971488680889 0.17623499462099 15.999 34 O 0.24181094761105 0.76634607988827 0.99550757172558 15.999 35 O 0.75818905238895 0.23365392011173 0.00449242827442 15.999 36 O 0.91642690287137 0.43028511319111 0.82376500537901 15.999 37 O 0.75152281843509 0.76806633571946 0.99607706344171 15.999 38 O 0.41926091229722 0.42206961479543 0.83039206583010 15.999 39 O 0.92222060685924 0.89526409157343 0.83608092652765 15.999 40 O 0.41644350787753 0.88326034478050 0.82497966537450 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.953707620002907 0.000000000000000 0.000000000000000 b 0.000000000000000 7.944370559999999 0.000000000000000 c -3.722856405444831 0.000000000000000 11.725351712849918 Atomic positions (fractional): 1 Al 0.00000000000000 0.12382195215136 0.75000000000000 26.982 > 1 2 Al 0.83503005549484 0.48614827365720 0.65806664951156 26.982 > 2 3 Al 0.08921723033647 0.74006242075515 0.65970264047034 26.982 > 3 4 Al 0.82698066858998 0.63635128113486 0.41721128400667 26.982 > 4 5 Al 0.17301933141001 0.36364871886514 0.58278871599333 26.982 > 5 6 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 6 7 Al 0.16496994450516 0.51385172634280 0.34193335048844 26.982 > 7 8 Al 0.91078276966353 0.25993757924485 0.34029735952966 26.982 > 8 9 Al 0.17301933141001 0.63635128113486 0.08278871599333 26.982 > 9 10 Al 0.00000000000000 0.87617804784864 0.25000000000000 26.982 > 10 11 Al 0.83503005549484 0.51385172634280 0.15806664951156 26.982 > 11 12 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 12 13 Al 0.08921723033647 0.25993757924485 0.15970264047034 26.982 > 13 14 Al 0.82698066858998 0.36364871886514 0.91721128400667 26.982 > 14 15 Al 0.16496994450516 0.48614827365720 0.84193335048844 26.982 > 15 16 Al 0.91078276966353 0.74006242075515 0.84029735952966 26.982 > 16 17 Al 0.50000000000000 0.62382195215136 0.75000000000000 26.982 > 1 18 Al 0.33503005549484 0.98614827365720 0.65806664951156 26.982 > 2 19 Al 0.58921723033647 0.24006242075515 0.65970264047034 26.982 > 3 20 Al 0.32698066858998 0.13635128113486 0.41721128400667 26.982 > 4 21 Al 0.67301933141002 0.86364871886514 0.58278871599333 26.982 > 5 22 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 6 23 Al 0.66496994450516 0.01385172634280 0.34193335048844 26.982 > 7 24 Al 0.41078276966353 0.75993757924485 0.34029735952966 26.982 > 8 25 Al 0.67301933141002 0.13635128113486 0.08278871599333 26.982 > 9 26 Al 0.50000000000000 0.37617804784864 0.25000000000000 26.982 > 10 27 Al 0.33503005549484 0.01385172634280 0.15806664951156 26.982 > 11 28 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 12 29 Al 0.58921723033647 0.75993757924485 0.15970264047034 26.982 > 13 30 Al 0.32698066858998 0.86364871886514 0.91721128400667 26.982 > 14 31 Al 0.66496994450516 0.98614827365720 0.84193335048844 26.982 > 15 32 Al 0.41078276966353 0.24006242075515 0.84029735952966 26.982 > 16 33 O 0.07933473645368 0.50140435124911 0.66960793416990 15.999 > 33 34 O 0.82664399196876 0.25692910515987 0.67623499462099 15.999 > 34 35 O 0.85014807367099 0.73340841845148 0.67502033462550 15.999 > 35 36 O 0.99592148625034 0.76226756613861 0.50449242827442 15.999 > 36 37 O 0.59125765078366 0.48652174235709 0.66391907347235 15.999 > 37 38 O 0.25979457707727 0.49172824135782 0.49607706344171 15.999 > 38 39 O 0.74020542292272 0.50827175864218 0.50392293655829 15.999 > 39 40 O 0.40874234921634 0.51347825764291 0.33608092652765 15.999 > 40 41 O 0.00407851374966 0.23773243386139 0.49550757172558 15.999 > 41 42 O 0.14985192632901 0.26659158154852 0.32497966537450 15.999 > 42 43 O 0.17335600803124 0.74307089484013 0.32376500537901 15.999 > 43 44 O 0.85014807367099 0.26659158154852 0.17502033462550 15.999 > 44 45 O 0.92066526354632 0.49859564875089 0.33039206583010 15.999 > 45 46 O 0.59125765078366 0.51347825764291 0.16391907347235 15.999 > 46 47 O 0.07933473645368 0.49859564875089 0.16960793416990 15.999 > 47 48 O 0.74020542292272 0.49172824135782 0.00392293655829 15.999 > 48 49 O 0.82664399196876 0.74307089484013 0.17623499462099 15.999 > 49 50 O 0.00407851374966 0.76226756613861 0.99550757172558 15.999 > 50 51 O 0.99592148625034 0.23773243386139 0.00449242827442 15.999 > 51 52 O 0.17335600803124 0.25692910515987 0.82376500537901 15.999 > 52 53 O 0.25979457707727 0.50827175864218 0.99607706344171 15.999 > 53 54 O 0.92066526354632 0.50140435124911 0.83039206583010 15.999 > 54 55 O 0.40874234921634 0.48652174235709 0.83608092652765 15.999 > 55 56 O 0.14985192632901 0.73340841845148 0.82497966537450 15.999 > 56 57 O 0.57933473645368 0.00140435124911 0.66960793416990 15.999 > 33 58 O 0.32664399196876 0.75692910515987 0.67623499462099 15.999 > 34 59 O 0.35014807367099 0.23340841845148 0.67502033462550 15.999 > 35 60 O 0.49592148625034 0.26226756613861 0.50449242827442 15.999 > 36 61 O 0.09125765078366 0.98652174235709 0.66391907347235 15.999 > 37 62 O 0.75979457707728 0.99172824135782 0.49607706344171 15.999 > 38 63 O 0.24020542292273 0.00827175864218 0.50392293655829 15.999 > 39 64 O 0.90874234921634 0.01347825764291 0.33608092652765 15.999 > 40 65 O 0.50407851374966 0.73773243386139 0.49550757172558 15.999 > 41 66 O 0.64985192632901 0.76659158154852 0.32497966537450 15.999 > 42 67 O 0.67335600803124 0.24307089484013 0.32376500537901 15.999 > 43 68 O 0.35014807367099 0.76659158154852 0.17502033462550 15.999 > 44 69 O 0.42066526354632 0.99859564875089 0.33039206583010 15.999 > 45 70 O 0.09125765078366 0.01347825764291 0.16391907347235 15.999 > 46 71 O 0.57933473645368 0.99859564875089 0.16960793416990 15.999 > 47 72 O 0.24020542292273 0.99172824135782 0.00392293655829 15.999 > 48 73 O 0.32664399196876 0.24307089484013 0.17623499462099 15.999 > 49 74 O 0.50407851374966 0.26226756613861 0.99550757172558 15.999 > 50 75 O 0.49592148625034 0.73773243386139 0.00449242827442 15.999 > 51 76 O 0.67335600803124 0.75692910515987 0.82376500537901 15.999 > 52 77 O 0.75979457707728 0.00827175864218 0.99607706344171 15.999 > 53 78 O 0.42066526354632 0.00140435124911 0.83039206583010 15.999 > 54 79 O 0.90874234921634 0.98652174235709 0.83608092652765 15.999 > 55 80 O 0.64985192632901 0.23340841845148 0.82497966537450 15.999 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1901812 0.0000000 0.0160187 0.0000000 3.1898632 0.0000000 0.0160189 0.0000000 3.1985017 -------------------------- Born effective charges -------------------------- 1 Al 2.8986146 -0.0000000 -0.0835588 -0.0000000 2.9026290 -0.0000000 -0.1639880 0.0000000 2.6209386 2 Al 2.9087778 0.0910763 0.1232576 0.0935850 2.9254425 -0.1132458 0.1234476 -0.1280925 2.8955330 3 Al 2.9161086 0.1194326 0.1330816 0.1186506 2.8934398 -0.1047420 0.1263005 -0.1251399 2.9243522 4 Al 2.7610221 -0.1439362 -0.1370142 -0.1457900 2.7596806 0.0965640 -0.0978171 0.0338928 2.8978177 5 Al 2.7610221 -0.1439362 -0.1370142 -0.1457900 2.7596806 0.0965640 -0.0978171 0.0338928 2.8978177 6 Al 2.9236194 0.3069723 0.1309915 0.3042309 2.9190894 -0.0996220 0.1509969 -0.1226655 2.8613069 7 Al 2.9087778 0.0910763 0.1232576 0.0935850 2.9254425 -0.1132458 0.1234476 -0.1280925 2.8955330 8 Al 2.9161086 0.1194326 0.1330816 0.1186506 2.8934398 -0.1047420 0.1263005 -0.1251399 2.9243522 9 Al 2.7610221 0.1439362 -0.1370142 0.1457900 2.7596806 -0.0965640 -0.0978171 -0.0338928 2.8978177 10 Al 2.8986146 -0.0000000 -0.0835588 -0.0000000 2.9026290 -0.0000000 -0.1639880 0.0000000 2.6209386 11 Al 2.9087778 -0.0910763 0.1232576 -0.0935850 2.9254425 0.1132458 0.1234476 0.1280925 2.8955330 12 Al 2.9236194 -0.3069723 0.1309915 -0.3042309 2.9190894 0.0996220 0.1509969 0.1226655 2.8613069 13 Al 2.9161086 -0.1194326 0.1330816 -0.1186506 2.8934398 0.1047420 0.1263005 0.1251399 2.9243522 14 Al 2.7610221 0.1439362 -0.1370142 0.1457900 2.7596806 -0.0965640 -0.0978171 -0.0338928 2.8978177 15 Al 2.9087778 -0.0910763 0.1232576 -0.0935850 2.9254425 0.1132458 0.1234476 0.1280925 2.8955330 16 Al 2.9161086 -0.1194326 0.1330816 -0.1186506 2.8934398 0.1047420 0.1263005 0.1251399 2.9243522 17 O -1.9651022 0.1785251 0.0963361 0.1844907 -1.9912104 -0.0841385 0.1230205 -0.1200618 -1.9355289 18 O -2.0787704 0.1076711 -0.2043884 0.0963130 -2.0530181 0.1984426 -0.1558425 0.1741895 -1.4638191 19 O -1.9421929 0.1230944 -0.0700905 0.1200304 -1.9140773 0.0782132 -0.1013121 0.1010282 -1.9946946 20 O -1.5262301 -0.1632984 -0.1886077 -0.1695506 -2.0171425 -0.1043772 -0.1991761 -0.0778157 -2.0670291 21 O -1.9661958 0.0657591 0.1224812 0.0735219 -1.9881785 -0.1397747 0.1085405 -0.1024983 -1.9528740 22 O -2.0185341 -0.1732155 0.1012279 -0.1637706 -1.5257954 0.1833025 0.0793341 0.2032236 -2.0448797 23 O -2.0185341 -0.1732155 0.1012279 -0.1637706 -1.5257954 0.1833025 0.0793341 0.2032236 -2.0448797 24 O -1.9661958 0.0657591 0.1224812 0.0735219 -1.9881785 -0.1397747 0.1085405 -0.1024983 -1.9528740 25 O -1.5262301 -0.1632984 -0.1886077 -0.1695506 -2.0171425 -0.1043772 -0.1991761 -0.0778157 -2.0670291 26 O -1.9421929 0.1230944 -0.0700905 0.1200304 -1.9140773 0.0782132 -0.1013121 0.1010282 -1.9946946 27 O -2.0787704 0.1076711 -0.2043884 0.0963130 -2.0530181 0.1984426 -0.1558425 0.1741895 -1.4638191 28 O -1.9421929 -0.1230944 -0.0700905 -0.1200304 -1.9140773 -0.0782132 -0.1013121 -0.1010282 -1.9946946 29 O -1.9651022 0.1785251 0.0963361 0.1844907 -1.9912104 -0.0841385 0.1230205 -0.1200618 -1.9355289 30 O -1.9661958 -0.0657591 0.1224812 -0.0735219 -1.9881785 0.1397747 0.1085405 0.1024983 -1.9528740 31 O -1.9651022 -0.1785251 0.0963361 -0.1844907 -1.9912104 0.0841385 0.1230205 0.1200618 -1.9355289 32 O -2.0185341 0.1732155 0.1012279 0.1637706 -1.5257954 -0.1833025 0.0793341 -0.2032236 -2.0448797 33 O -2.0787704 -0.1076711 -0.2043884 -0.0963130 -2.0530181 -0.1984426 -0.1558425 -0.1741895 -1.4638191 34 O -1.5262301 0.1632984 -0.1886077 0.1695506 -2.0171425 0.1043772 -0.1991761 0.0778157 -2.0670291 35 O -1.5262301 0.1632984 -0.1886077 0.1695506 -2.0171425 0.1043772 -0.1991761 0.0778157 -2.0670291 36 O -2.0787704 -0.1076711 -0.2043884 -0.0963130 -2.0530181 -0.1984426 -0.1558425 -0.1741895 -1.4638191 37 O -2.0185341 0.1732155 0.1012279 0.1637706 -1.5257954 -0.1833025 0.0793341 -0.2032236 -2.0448797 38 O -1.9651022 -0.1785251 0.0963361 -0.1844907 -1.9912104 0.0841385 0.1230205 0.1200618 -1.9355289 39 O -1.9661958 -0.0657591 0.1224812 -0.0735219 -1.9881785 0.1397747 0.1085405 0.1024983 -1.9528740 40 O -1.9421929 -0.1230944 -0.0700905 -0.1200304 -1.9140773 -0.0782132 -0.1013121 -0.1010282 -1.9946946 ---------------------------------------------------------------------------- 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 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 4 ] 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: 0.58, Number of G-points: 313, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/95) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 6.155 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 7.184 ( 0.000 0.000 0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.626 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.775 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 8.323 ( 0.000 0.000 0.000) 0.000 8.371 ( 0.000 0.000 0.000) 0.000 8.587 ( 0.000 0.000 0.000) 0.000 8.713 ( 0.000 0.000 0.000) 0.000 8.746 ( 0.000 0.000 0.000) 0.000 9.030 ( 0.000 0.000 0.000) 0.000 9.044 ( 0.000 0.000 0.000) 0.000 9.115 ( 0.000 0.000 0.000) 0.000 9.324 ( 0.000 0.000 0.000) 0.000 9.328 ( 0.000 0.000 0.000) 0.000 9.371 ( 0.000 0.000 0.000) 0.000 9.694 ( 0.000 0.000 0.000) 0.000 9.714 ( 0.000 0.000 0.000) 0.000 9.969 ( 0.000 0.000 0.000) 0.000 10.027 ( 0.000 0.000 0.000) 0.000 10.214 ( 0.000 0.000 0.000) 0.000 10.400 ( 0.000 0.000 0.000) 0.000 10.453 ( 0.000 0.000 0.000) 0.000 10.467 ( 0.000 0.000 0.000) 0.000 10.541 ( 0.000 0.000 0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 10.710 ( 0.000 0.000 0.000) 0.000 10.723 ( 0.000 0.000 0.000) 0.000 11.331 ( 0.000 0.000 0.000) 0.000 11.406 ( 0.000 0.000 0.000) 0.000 11.601 ( 0.000 0.000 0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 11.672 ( 0.000 0.000 0.000) 0.000 11.842 ( 0.000 0.000 0.000) 0.000 11.995 ( 0.000 0.000 0.000) 0.000 12.074 ( 0.000 0.000 0.000) 0.000 12.088 ( 0.000 0.000 0.000) 0.000 12.571 ( 0.000 0.000 0.000) 0.000 12.816 ( 0.000 0.000 0.000) 0.000 12.823 ( 0.000 0.000 0.000) 0.000 13.271 ( 0.000 0.000 0.000) 0.000 13.312 ( 0.000 0.000 0.000) 0.000 13.883 ( 0.000 0.000 0.000) 0.000 14.082 ( 0.000 0.000 0.000) 0.000 14.230 ( 0.000 0.000 0.000) 0.000 14.540 ( 0.000 0.000 0.000) 0.000 14.770 ( 0.000 0.000 0.000) 0.000 14.829 ( 0.000 0.000 0.000) 0.000 14.875 ( 0.000 0.000 0.000) 0.000 14.920 ( 0.000 0.000 0.000) 0.000 15.172 ( 0.000 0.000 0.000) 0.000 15.399 ( 0.000 0.000 0.000) 0.000 15.414 ( 0.000 0.000 0.000) 0.000 15.507 ( 0.000 0.000 0.000) 0.000 15.690 ( 0.000 0.000 0.000) 0.000 15.698 ( 0.000 0.000 0.000) 0.000 15.700 ( 0.000 0.000 0.000) 0.000 15.775 ( 0.000 0.000 0.000) 0.000 15.890 ( 0.000 0.000 0.000) 0.000 15.962 ( 0.000 0.000 0.000) 0.000 16.623 ( 0.000 0.000 0.000) 0.000 16.737 ( 0.000 0.000 0.000) 0.000 16.917 ( 0.000 0.000 0.000) 0.000 17.184 ( 0.000 0.000 0.000) 0.000 17.198 ( 0.000 0.000 0.000) 0.000 17.259 ( 0.000 0.000 0.000) 0.000 17.355 ( 0.000 0.000 0.000) 0.000 17.549 ( 0.000 0.000 0.000) 0.000 17.790 ( 0.000 0.000 0.000) 0.000 17.924 ( 0.000 0.000 0.000) 0.000 17.974 ( 0.000 0.000 0.000) 0.000 18.196 ( 0.000 0.000 0.000) 0.000 18.275 ( 0.000 0.000 0.000) 0.000 18.315 ( 0.000 0.000 0.000) 0.000 18.437 ( 0.000 0.000 0.000) 0.000 18.518 ( 0.000 0.000 0.000) 0.000 18.542 ( 0.000 0.000 0.000) 0.000 18.755 ( 0.000 0.000 0.000) 0.000 18.868 ( 0.000 0.000 0.000) 0.000 19.012 ( 0.000 0.000 0.000) 0.000 19.299 ( 0.000 0.000 0.000) 0.000 19.398 ( 0.000 0.000 0.000) 0.000 19.405 ( 0.000 0.000 0.000) 0.000 19.763 ( 0.000 0.000 0.000) 0.000 19.876 ( 0.000 0.000 0.000) 0.000 20.089 ( 0.000 0.000 0.000) 0.000 20.106 ( 0.000 0.000 0.000) 0.000 20.244 ( 0.000 0.000 0.000) 0.000 20.264 ( 0.000 0.000 0.000) 0.000 20.441 ( 0.000 0.000 0.000) 0.000 20.703 ( 0.000 0.000 0.000) 0.000 21.262 ( 0.000 0.000 0.000) 0.000 22.435 ( 0.000 0.000 0.000) 0.000 22.664 ( 0.000 0.000 0.000) 0.000 22.931 ( 0.000 0.000 0.000) 0.000 23.149 ( 0.000 0.000 0.000) 0.000 23.159 ( 0.000 0.000 0.000) 0.000 23.250 ( 0.000 0.000 0.000) 0.000 23.254 ( 0.000 0.000 0.000) 0.000 23.373 ( 0.000 0.000 0.000) 0.000 23.911 ( 0.000 0.000 0.000) 0.000 24.002 ( 0.000 0.000 0.000) 0.000 24.486 ( 0.000 0.000 0.000) 0.000 24.686 ( 0.000 0.000 0.000) 0.000 25.106 ( 0.000 0.000 0.000) 0.000 25.777 ( 0.000 0.000 0.000) 0.000 26.924 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/95) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 30.062 -29.535 16.213) 45.154 1.215 ( 46.695 -42.696 -9.602) 63.997 2.068 ( 67.850 -66.884 33.701) 101.059 4.366 ( 2.699 6.431 -17.186) 18.547 4.471 ( 2.815 -3.612 -18.674) 19.228 5.151 ( -19.637 7.194 8.102) 22.428 5.502 ( 2.646 4.322 18.920) 19.587 6.205 ( 0.471 -2.563 -1.759) 3.144 6.347 ( 5.970 -6.473 0.897) 8.852 6.494 ( 11.394 -9.287 -16.955) 22.440 6.812 ( -1.396 -2.259 -6.197) 6.742 7.223 ( -4.538 -0.920 -6.004) 7.583 7.491 ( -8.863 2.536 -2.516) 9.556 7.547 ( -4.118 1.748 4.079) 6.054 7.627 ( 0.608 3.451 -2.482) 4.294 7.698 ( 0.418 0.176 -2.660) 2.698 7.792 ( 4.229 -1.377 5.099) 6.766 7.974 ( -2.740 4.589 -0.330) 5.355 8.158 ( -4.491 8.891 9.187) 13.550 8.275 ( -3.914 10.888 7.018) 13.533 8.367 ( -17.238 2.297 -9.691) 19.909 8.498 ( -0.575 6.158 -0.074) 6.185 8.829 ( -0.188 -0.437 6.818) 6.834 8.997 ( -5.840 -4.845 1.496) 7.734 9.054 ( -6.040 -1.014 -5.079) 7.957 9.138 ( 1.546 -7.032 -4.385) 8.430 9.187 ( 6.029 2.138 -0.440) 6.412 9.349 ( 8.290 10.153 5.742) 14.310 9.590 ( -12.924 -7.414 5.743) 15.969 9.650 ( 8.360 1.112 -3.460) 9.116 9.684 ( 1.366 -8.047 1.228) 8.254 9.888 ( 0.528 13.546 0.938) 13.589 9.951 ( -0.584 6.080 -1.588) 6.311 10.273 ( -2.879 -3.713 -9.519) 10.616 10.324 ( -11.435 3.171 0.738) 11.890 10.432 ( 3.647 -8.016 1.483) 8.931 10.616 ( 21.967 -8.870 -2.110) 23.784 10.788 ( 8.523 -9.626 2.515) 13.100 10.802 ( 13.186 -8.676 2.965) 16.060 10.964 ( 7.354 -19.589 0.680) 20.935 11.206 ( 18.785 -14.246 -1.315) 23.613 11.386 ( 6.637 -2.553 1.045) 7.188 11.519 ( 8.108 -6.285 -0.577) 10.275 11.632 ( 0.252 -2.256 -0.562) 2.339 11.717 ( 10.203 -3.593 1.797) 10.966 11.923 ( 10.886 -11.784 2.673) 16.264 12.009 ( -1.802 -7.956 -3.108) 8.730 12.052 ( -3.254 -10.841 -4.707) 12.259 12.126 ( 0.532 -9.328 -4.194) 10.241 12.223 ( 12.986 -9.358 -5.455) 16.910 12.570 ( 3.398 3.535 5.323) 7.237 12.820 ( -0.371 -1.785 -7.350) 7.573 13.000 ( 0.893 4.403 6.968) 8.291 13.347 ( 7.142 0.518 -11.796) 13.799 13.407 ( 1.328 -0.618 4.585) 4.814 13.861 ( -1.720 1.250 0.257) 2.142 14.112 ( -5.921 -0.534 6.824) 9.050 14.237 ( 1.111 1.105 1.206) 1.977 14.465 ( -17.068 6.927 -16.238) 24.556 14.576 ( -9.580 5.344 4.100) 11.711 14.789 ( -7.125 -0.329 6.607) 9.722 14.958 ( -2.952 5.979 4.957) 8.309 15.033 ( 3.663 4.819 1.672) 6.280 15.160 ( 13.845 15.829 7.471) 22.317 15.351 ( -0.693 4.782 -1.590) 5.087 15.439 ( 5.245 6.550 0.743) 8.424 15.490 ( -15.169 -2.291 -4.899) 16.104 15.560 ( -3.563 -3.981 -1.998) 5.704 15.724 ( -13.150 1.644 10.541) 16.933 15.837 ( -1.037 0.837 -11.138) 11.217 15.950 ( 3.629 -3.048 3.674) 5.997 16.104 ( 11.886 -5.375 18.255) 22.437 16.506 ( -1.698 -6.803 4.303) 8.227 16.753 ( 3.398 4.257 -0.335) 5.457 16.866 ( -0.159 2.324 -0.120) 2.332 16.910 ( 3.007 9.256 -1.686) 9.877 17.009 ( -1.269 6.591 -1.822) 6.955 17.220 ( -7.008 7.451 4.601) 11.216 17.268 ( -0.159 11.521 5.048) 12.579 17.481 ( -7.302 -3.692 -0.686) 8.211 17.621 ( -1.404 3.374 -6.787) 7.708 17.887 ( -3.692 2.741 -3.397) 5.717 17.905 ( -1.113 -1.167 -4.846) 5.108 18.120 ( 3.241 -1.656 3.146) 4.810 18.155 ( 2.249 3.064 -2.868) 4.762 18.264 ( -5.450 -2.406 -3.850) 7.093 18.335 ( -3.280 4.870 -6.715) 8.920 18.403 ( 2.184 8.183 2.072) 8.720 18.552 ( 1.417 -0.794 -2.567) 3.038 18.802 ( -5.421 -5.049 4.197) 8.514 18.952 ( 5.365 -1.815 2.609) 6.235 19.018 ( 1.130 0.383 -1.665) 2.048 19.170 ( 5.110 1.812 1.931) 5.756 19.316 ( -2.352 -0.576 3.928) 4.615 19.364 ( 0.323 4.714 0.679) 4.774 19.671 ( -13.645 -5.258 15.581) 21.368 19.776 ( -2.468 3.637 -9.526) 10.491 19.911 ( -4.434 -2.082 -0.971) 4.994 20.042 ( -1.022 2.754 -1.083) 3.131 20.162 ( 1.340 5.657 -1.367) 5.972 20.234 ( -4.579 2.592 1.239) 5.406 20.430 ( -1.541 -6.466 0.528) 6.667 20.686 ( 4.890 -5.647 -5.676) 9.382 20.945 ( 16.441 14.059 -3.146) 21.861 21.999 ( -17.010 -18.908 -20.887) 32.911 22.416 ( -1.954 -1.582 -5.869) 6.385 22.698 ( -0.601 -3.861 3.261) 5.089 22.956 ( 1.876 -0.734 0.713) 2.137 23.151 ( -1.278 -0.817 -0.015) 1.517 23.259 ( 2.232 1.072 -0.091) 2.478 23.266 ( 6.683 -8.371 -1.955) 10.888 23.317 ( 0.926 -2.210 -2.226) 3.271 23.922 ( -0.353 0.034 -3.947) 3.963 24.021 ( 2.080 -3.177 -4.853) 6.162 24.372 ( 9.997 9.535 11.133) 17.742 24.681 ( -1.688 -0.514 2.177) 2.802 25.098 ( -2.421 -3.793 8.726) 9.817 25.820 ( 2.874 -4.253 -2.660) 5.782 26.861 ( -4.168 3.915 -0.987) 5.803 27.319 ( -2.769 10.363 16.362) 19.565 ======================= Grid point 2 (3/95) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 30.510 -29.984 15.139) 45.377 2.404 ( 45.176 -41.855 -11.468) 62.644 3.931 ( 37.465 -31.835 9.673) 50.107 4.168 ( 28.945 -8.212 -16.909) 34.513 4.529 ( -3.410 -21.315 -26.293) 34.019 5.075 ( -6.450 -6.090 34.072) 35.208 5.596 ( 10.039 9.829 29.320) 32.512 6.113 ( -14.628 5.761 -6.601) 17.051 6.382 ( -4.792 9.136 1.411) 10.413 6.513 ( -3.219 5.445 -5.645) 8.478 6.797 ( -4.649 -1.242 -11.986) 12.916 6.978 ( -13.180 11.854 -5.115) 18.450 7.286 ( -12.675 2.527 -6.154) 14.314 7.388 ( -14.634 8.134 -1.387) 16.800 7.438 ( -6.035 4.125 -3.042) 7.918 7.588 ( -3.843 11.080 -12.894) 17.430 7.694 ( -8.676 15.701 2.249) 18.080 7.717 ( -6.787 -0.279 -2.003) 7.082 7.924 ( 0.325 1.940 -0.035) 1.968 8.092 ( -5.098 2.146 -4.334) 7.027 8.404 ( -0.068 4.417 2.081) 4.883 8.750 ( 17.268 -13.839 7.860) 23.483 8.867 ( -5.043 -5.979 2.243) 8.137 9.047 ( 0.145 -2.421 -0.618) 2.503 9.125 ( 9.633 -11.423 -5.313) 15.859 9.200 ( 7.314 -0.832 6.491) 9.815 9.338 ( 6.991 -0.657 5.855) 9.143 9.432 ( 4.856 -11.532 1.017) 12.554 9.616 ( 0.400 -2.622 -5.066) 5.718 9.647 ( -3.505 -4.326 4.690) 7.280 9.755 ( 7.701 1.686 -1.218) 7.977 9.939 ( -1.136 -2.660 1.768) 3.389 10.015 ( 15.401 -1.635 6.914) 16.961 10.257 ( 0.567 -4.950 6.096) 7.873 10.393 ( 15.583 -10.194 1.804) 18.708 10.564 ( 2.143 -6.796 2.352) 7.504 10.977 ( 10.444 -2.670 1.658) 10.907 11.029 ( 7.384 -5.330 -4.208) 10.032 11.130 ( 10.164 -15.526 4.130) 19.011 11.244 ( 4.048 -10.868 -0.645) 11.615 11.421 ( 9.644 4.932 -3.263) 11.313 11.633 ( 2.020 -1.892 5.650) 6.291 11.651 ( 1.190 -10.467 -7.227) 12.775 11.829 ( 6.868 -15.254 1.450) 16.792 12.011 ( 14.268 -10.751 2.881) 18.096 12.024 ( 5.939 -7.585 1.606) 9.767 12.170 ( 6.872 -9.164 -0.300) 11.458 12.321 ( 6.046 -13.625 -6.203) 16.145 12.418 ( 6.642 -2.098 -4.457) 8.269 12.459 ( 9.581 -16.226 -4.630) 19.404 12.685 ( 4.723 -3.582 -8.600) 10.445 12.861 ( 15.462 -0.078 5.504) 16.413 13.034 ( 4.734 -3.919 0.917) 6.213 13.377 ( 5.065 1.607 -6.186) 8.155 13.472 ( -1.061 -7.661 -8.637) 11.594 13.813 ( -1.596 1.577 3.964) 4.555 13.997 ( -7.672 1.203 -1.839) 7.981 14.101 ( -7.789 7.046 -2.413) 10.777 14.238 ( -2.480 3.719 14.416) 15.093 14.400 ( -7.435 0.254 -8.627) 11.391 14.690 ( -10.902 0.877 1.668) 11.063 14.769 ( -7.349 4.155 -2.675) 8.856 15.075 ( 0.940 2.221 2.147) 3.229 15.147 ( 2.766 7.803 0.762) 8.314 15.252 ( -12.602 3.595 1.898) 13.242 15.316 ( 3.742 4.845 1.937) 6.421 15.415 ( -6.456 0.138 0.747) 6.500 15.505 ( -2.306 7.915 5.447) 9.881 15.593 ( 0.232 1.032 0.267) 1.091 15.781 ( -4.453 -0.067 -3.282) 5.532 16.027 ( 3.582 2.021 4.705) 6.249 16.200 ( 0.022 9.781 3.428) 10.364 16.435 ( -10.487 6.960 -11.777) 17.236 16.647 ( -4.319 7.841 3.955) 9.786 16.696 ( -12.512 12.537 4.430) 18.258 16.816 ( -1.760 4.266 7.230) 8.577 16.948 ( -3.518 9.610 -5.721) 11.724 17.088 ( -8.347 -0.906 -0.220) 8.399 17.167 ( 8.286 0.984 9.629) 12.741 17.377 ( 3.650 7.025 -4.354) 9.035 17.526 ( 2.196 10.943 8.116) 13.800 17.894 ( 4.074 1.556 -7.695) 8.845 17.920 ( 0.826 -4.446 -2.263) 5.057 17.951 ( -14.178 3.329 -4.884) 15.361 18.086 ( -2.114 6.409 0.235) 6.753 18.240 ( -5.241 0.323 0.486) 5.273 18.341 ( 2.161 -5.890 1.932) 6.565 18.353 ( 7.120 5.675 1.523) 9.232 18.581 ( 2.413 -1.536 -3.441) 4.475 18.703 ( -12.598 -2.070 -0.156) 12.768 18.959 ( -5.993 -0.438 -4.798) 7.689 19.063 ( 5.174 -2.657 0.111) 5.818 19.204 ( -1.801 5.599 -2.480) 6.383 19.320 ( 4.417 -6.057 -3.293) 8.188 19.384 ( 3.167 2.143 5.307) 6.541 19.590 ( -6.716 -1.931 -2.531) 7.432 19.710 ( -0.801 0.169 3.422) 3.519 19.873 ( -3.651 0.574 0.817) 3.785 19.997 ( -1.900 2.698 0.674) 3.368 20.077 ( -2.424 2.700 -5.252) 6.384 20.131 ( -2.521 1.845 4.816) 5.740 20.467 ( -8.343 -3.874 1.043) 9.258 20.755 ( 8.870 2.960 -5.228) 10.713 21.054 ( 10.061 -0.344 5.258) 11.357 21.866 ( -10.967 1.112 -2.524) 11.308 22.420 ( 1.569 -3.449 -4.074) 5.563 22.741 ( -1.400 -1.647 -0.214) 2.172 23.031 ( 4.255 -3.866 1.322) 5.899 23.143 ( -2.217 -1.739 -0.164) 2.823 23.278 ( 2.622 1.115 0.038) 2.849 23.359 ( 0.898 -1.919 3.011) 3.682 23.553 ( 12.368 -10.884 -0.264) 16.477 23.864 ( -2.554 0.486 -7.673) 8.101 24.054 ( -0.776 -1.938 -6.755) 7.071 24.444 ( 6.258 1.797 5.918) 8.799 24.686 ( -1.890 -1.901 4.344) 5.105 25.150 ( 0.403 -0.218 5.054) 5.075 25.950 ( 5.755 -7.064 -3.340) 9.704 26.720 ( -5.129 4.737 -1.705) 7.187 27.167 ( -5.952 9.490 6.781) 13.095 ======================= Grid point 3 (4/95) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 30.917 -30.336 13.583) 45.394 3.516 ( 39.718 -37.781 -17.499) 57.543 3.966 ( 16.003 -1.278 -23.333) 28.323 4.529 ( -1.232 -16.087 -26.450) 30.983 5.170 ( -3.303 -1.157 36.049) 36.218 5.447 ( -18.048 9.622 -3.235) 20.707 5.645 ( 8.771 5.532 23.076) 25.299 5.872 ( 15.735 -4.557 15.368) 22.461 6.145 ( -21.674 11.655 -0.799) 24.622 6.298 ( 16.200 -11.631 15.140) 25.039 6.438 ( -16.503 18.874 -3.711) 25.344 6.627 ( -16.314 7.670 -8.746) 20.037 6.999 ( -15.700 9.619 -9.713) 20.818 7.119 ( -9.955 12.915 -2.697) 16.528 7.203 ( -3.576 4.251 -0.130) 5.557 7.330 ( -6.187 0.083 -0.595) 6.217 7.558 ( 5.358 1.189 -4.559) 7.135 7.695 ( 1.542 -3.702 -1.787) 4.390 7.895 ( -7.604 -3.820 -3.156) 9.076 8.242 ( 11.239 -3.801 -1.962) 12.025 8.385 ( 6.624 -1.385 1.729) 6.985 8.797 ( -4.062 -0.208 -2.724) 4.896 8.987 ( -0.886 4.329 0.574) 4.456 9.074 ( 1.414 -7.268 -10.733) 13.039 9.249 ( -0.635 -4.483 -2.922) 5.389 9.381 ( 4.638 3.444 5.561) 8.018 9.496 ( -1.041 -12.102 0.950) 12.184 9.631 ( 11.750 0.236 5.294) 12.889 9.758 ( 4.524 -3.163 1.781) 5.800 9.812 ( -1.213 -0.218 1.775) 2.161 9.896 ( 4.334 -8.764 -4.638) 10.821 10.062 ( 20.091 -19.082 -4.660) 28.098 10.228 ( 9.333 -3.805 -1.173) 10.147 10.466 ( 9.983 -1.160 8.710) 13.300 10.573 ( 2.451 -6.018 4.669) 8.002 11.040 ( 2.678 0.380 1.352) 3.024 11.073 ( 12.949 -10.347 1.322) 16.628 11.165 ( 4.626 -7.675 4.096) 9.853 11.385 ( -2.797 -1.948 -2.025) 3.964 11.439 ( 7.473 -2.378 0.700) 7.874 11.484 ( 9.418 -19.549 2.553) 21.850 11.653 ( -0.802 0.304 -4.622) 4.701 11.760 ( 4.933 -3.644 4.689) 7.720 12.071 ( 4.294 -10.734 -5.592) 12.842 12.249 ( 9.725 0.575 -1.006) 9.794 12.331 ( -0.445 -7.449 0.448) 7.476 12.361 ( 1.618 -6.396 6.011) 8.925 12.430 ( 13.710 -5.327 2.999) 15.011 12.569 ( 3.935 -3.346 -10.948) 12.105 12.640 ( 10.760 -10.373 -3.382) 15.324 12.845 ( 6.340 -7.368 -2.682) 10.083 13.026 ( 0.256 -5.577 1.480) 5.775 13.357 ( 12.803 -4.723 2.816) 13.934 13.435 ( 9.763 -8.875 -4.421) 13.915 13.551 ( 6.904 -3.791 -3.749) 8.723 13.880 ( -1.891 5.116 1.762) 5.732 13.939 ( 0.196 -11.176 4.106) 11.908 14.033 ( 2.724 -4.987 -0.873) 5.749 14.151 ( -6.850 8.010 6.979) 12.641 14.294 ( -4.765 -2.530 -10.114) 11.463 14.515 ( -8.934 2.874 0.146) 9.386 14.610 ( -9.550 3.787 0.608) 10.291 14.891 ( -10.658 10.606 -1.145) 15.080 14.998 ( -10.519 10.819 0.170) 15.091 15.077 ( 0.810 4.514 -4.103) 6.153 15.295 ( -2.012 2.969 -3.155) 4.776 15.384 ( 0.802 1.891 2.239) 3.038 15.427 ( 0.798 4.752 9.321) 10.492 15.575 ( -4.103 -0.889 1.505) 4.459 15.681 ( -4.718 1.327 1.033) 5.009 15.948 ( -8.190 14.763 -0.986) 16.911 16.029 ( -7.337 11.648 -6.522) 15.233 16.082 ( -1.700 2.633 1.887) 3.658 16.296 ( -15.413 13.898 3.444) 21.038 16.514 ( -1.502 5.603 -3.840) 6.956 16.681 ( -0.916 11.688 1.640) 11.838 16.830 ( -2.101 3.454 3.596) 5.410 16.987 ( -7.541 3.300 -3.658) 9.007 17.074 ( -6.164 11.102 1.590) 12.797 17.418 ( -2.412 0.640 4.458) 5.109 17.551 ( 9.423 1.753 12.715) 15.923 17.707 ( -2.244 1.988 -1.903) 3.551 17.903 ( 1.517 -1.966 -11.023) 11.299 17.978 ( -1.677 -2.967 -5.812) 6.738 18.049 ( 2.912 3.089 6.108) 7.438 18.164 ( -3.049 3.158 1.850) 4.764 18.324 ( -1.388 -2.464 -5.285) 5.994 18.467 ( -2.561 1.976 8.097) 8.719 18.581 ( 6.814 -0.498 -6.552) 9.466 18.696 ( -1.476 -8.676 3.797) 9.584 18.882 ( -2.313 -0.987 -3.012) 3.924 19.102 ( -1.375 0.829 -1.027) 1.906 19.183 ( 5.491 0.918 -2.038) 5.928 19.324 ( -4.428 -0.456 -7.397) 8.633 19.417 ( 2.656 0.848 2.295) 3.611 19.588 ( -2.310 -3.118 0.399) 3.901 19.727 ( 0.022 0.997 -1.844) 2.096 19.795 ( -2.253 0.041 2.098) 3.079 19.885 ( -4.568 3.942 1.128) 6.139 20.030 ( -0.818 -0.815 -1.522) 1.910 20.169 ( 2.586 -1.067 1.777) 3.314 20.328 ( -9.807 3.404 1.654) 10.512 20.831 ( 5.362 -0.734 -2.298) 5.880 21.203 ( 4.617 -0.728 7.977) 9.245 21.702 ( -5.182 2.985 -2.971) 6.678 22.508 ( 4.034 -3.879 0.101) 5.597 22.717 ( -0.948 0.506 -3.044) 3.228 23.129 ( 0.021 -0.319 0.715) 0.783 23.166 ( 1.444 -4.482 3.174) 5.679 23.298 ( 2.584 1.432 0.134) 2.957 23.387 ( -0.290 0.068 4.066) 4.077 23.775 ( -3.089 1.143 -7.220) 7.936 23.891 ( 11.328 -12.686 -3.890) 17.446 24.001 ( -2.911 -0.200 -5.781) 6.476 24.540 ( 5.003 0.407 4.964) 7.059 24.703 ( -3.423 -2.054 4.909) 6.327 25.147 ( -0.163 2.646 1.844) 3.229 26.126 ( 6.220 -6.936 -2.420) 9.625 26.601 ( -2.709 2.492 -2.095) 4.235 26.968 ( -6.894 8.705 4.112) 11.841 ======================= Grid point 4 (5/95) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.639 ( 30.012 -30.324 12.459) 44.447 4.050 ( 14.057 -6.103 -15.474) 21.778 4.538 ( -18.090 15.118 -13.406) 27.121 4.564 ( 17.525 -21.267 -6.699) 28.360 4.758 ( 2.058 -7.042 -8.044) 10.887 5.113 ( -7.434 10.470 9.137) 15.760 5.602 ( -24.663 18.340 8.743) 31.954 5.856 ( -0.779 13.152 16.962) 21.477 5.959 ( 1.887 0.850 12.828) 12.994 5.971 ( -2.112 -2.988 5.306) 6.445 6.248 ( -9.594 10.442 -14.498) 20.279 6.543 ( -13.541 6.123 -14.010) 20.424 6.703 ( 0.833 4.371 -0.853) 4.530 7.050 ( -1.487 1.599 1.127) 2.457 7.234 ( -2.550 0.145 1.456) 2.940 7.561 ( 7.888 -5.827 8.822) 13.191 7.671 ( -3.817 -4.329 -0.007) 5.772 7.863 ( 27.967 -25.841 9.787) 39.315 7.967 ( 5.453 -6.739 -1.006) 8.727 8.296 ( 4.062 0.636 3.073) 5.133 8.602 ( 6.246 -4.474 4.976) 9.154 8.699 ( -6.056 4.408 -10.434) 12.845 8.865 ( -3.187 4.259 -2.964) 6.090 8.969 ( -11.768 11.769 -12.024) 20.532 9.245 ( -0.354 -0.779 -0.578) 1.032 9.410 ( 1.573 1.393 2.595) 3.338 9.562 ( -3.733 -3.887 1.407) 5.570 9.770 ( -5.174 -10.252 1.379) 11.566 9.800 ( 10.108 6.137 1.710) 11.948 9.862 ( 8.124 2.959 1.727) 8.816 9.978 ( -10.897 -8.746 -5.818) 15.135 10.239 ( 7.701 3.060 -7.549) 11.209 10.491 ( 3.993 2.262 -1.708) 4.897 10.575 ( 5.558 -6.110 1.042) 8.325 10.846 ( 7.958 -6.856 4.887) 11.586 11.022 ( 3.043 -0.888 -2.484) 4.027 11.123 ( -5.730 0.099 -0.246) 5.736 11.283 ( -1.645 -2.919 5.839) 6.732 11.317 ( 0.721 0.914 -7.223) 7.316 11.513 ( -2.713 -1.032 3.147) 4.281 11.620 ( 0.189 0.607 -2.740) 2.813 11.824 ( 2.770 -3.702 0.478) 4.648 12.035 ( 19.028 -6.169 14.094) 24.470 12.213 ( 2.719 -3.632 -6.006) 7.527 12.342 ( -5.881 1.082 1.472) 6.158 12.427 ( -3.197 -5.246 2.127) 6.501 12.583 ( 0.944 -6.228 -2.035) 6.620 12.609 ( -0.202 -3.787 1.007) 3.923 12.721 ( 14.262 -7.528 -0.794) 16.146 12.894 ( 20.897 -3.568 -5.187) 21.825 13.020 ( 5.269 -10.608 9.688) 15.302 13.150 ( 4.258 -7.997 6.731) 11.286 13.452 ( -2.196 0.955 -2.905) 3.765 13.594 ( 1.803 1.758 -4.845) 5.461 13.730 ( -1.600 0.580 -2.221) 2.798 13.818 ( 4.767 -2.491 -4.767) 7.187 13.974 ( -0.481 1.966 1.273) 2.391 14.041 ( -1.996 4.135 0.792) 4.659 14.133 ( -15.959 5.526 -7.445) 18.456 14.189 ( 0.101 -5.472 0.351) 5.484 14.355 ( -1.536 3.638 -0.998) 4.073 14.416 ( -2.000 -0.269 4.363) 4.807 14.608 ( -6.855 5.033 -6.462) 10.680 14.840 ( 2.321 3.656 6.968) 8.204 14.993 ( -4.397 1.889 -1.462) 5.004 15.132 ( -6.218 6.332 -0.832) 8.914 15.382 ( -0.268 -2.094 3.337) 3.949 15.439 ( -1.082 -2.355 -4.837) 5.487 15.556 ( -2.506 2.647 2.564) 4.457 15.611 ( 0.617 6.082 0.978) 6.191 15.704 ( -1.443 6.256 2.686) 6.960 15.789 ( 0.319 2.630 -0.294) 2.665 15.961 ( -11.552 4.466 -4.419) 13.150 16.147 ( 2.681 -0.368 6.571) 7.107 16.405 ( -2.733 3.277 -2.776) 5.090 16.566 ( 1.762 5.444 0.820) 5.781 16.755 ( -2.348 6.954 -3.851) 8.289 16.804 ( -1.779 -0.144 1.819) 2.548 16.921 ( -3.689 2.643 -0.099) 4.539 17.364 ( -4.328 -0.220 0.806) 4.408 17.670 ( 1.953 0.233 10.918) 11.094 17.724 ( 1.608 0.109 -3.035) 3.436 17.935 ( 1.796 -4.590 -1.988) 5.314 17.983 ( 1.362 -0.665 -3.882) 4.167 18.054 ( 0.228 2.126 5.411) 5.818 18.117 ( 3.373 4.087 -5.824) 7.874 18.252 ( -8.082 -1.790 -3.262) 8.898 18.433 ( 0.184 0.371 2.271) 2.308 18.720 ( 7.907 0.457 0.247) 7.924 18.790 ( -4.748 -7.763 2.250) 9.374 18.910 ( 6.275 1.104 -0.076) 6.371 19.071 ( -3.051 0.032 2.436) 3.904 19.190 ( -0.548 0.490 -3.932) 4.000 19.253 ( -0.690 1.029 -3.692) 3.894 19.419 ( -0.104 1.219 0.138) 1.231 19.560 ( -2.207 0.583 -0.306) 2.303 19.680 ( -0.894 0.503 -0.429) 1.112 19.809 ( -0.214 1.170 -0.090) 1.193 19.891 ( 3.256 -5.894 2.859) 7.315 20.038 ( -0.073 -1.060 -1.904) 2.180 20.088 ( -6.521 6.337 -0.658) 9.116 20.259 ( 0.145 -0.317 2.032) 2.062 20.886 ( 1.541 -0.801 -0.484) 1.803 21.270 ( 0.765 -0.065 4.412) 4.478 21.619 ( -0.985 1.301 -2.349) 2.860 22.616 ( 3.350 -2.905 1.507) 4.684 22.683 ( -1.063 1.134 -2.498) 2.942 23.128 ( -0.522 -0.405 0.050) 0.663 23.219 ( -0.295 -0.103 2.183) 2.205 23.309 ( 1.005 0.608 0.080) 1.177 23.428 ( 2.756 -0.702 3.698) 4.665 23.661 ( -4.807 0.744 -6.240) 7.912 23.964 ( -0.651 -0.310 -1.719) 1.864 24.165 ( 7.158 -7.606 -3.988) 11.180 24.568 ( -0.836 3.963 7.696) 8.697 24.701 ( -1.255 -2.085 -1.083) 2.664 25.114 ( -0.087 1.490 0.189) 1.505 26.259 ( 2.628 -2.911 -0.903) 4.024 26.571 ( 0.876 -0.877 -1.783) 2.171 26.794 ( -4.579 5.173 2.401) 7.314 ======================= Grid point 10 (6/95) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 64.428 -0.000 -22.635) 68.288 1.878 ( 58.541 -0.000 21.213) 62.266 2.786 ( 82.236 -0.000 49.998) 96.243 4.214 ( -6.858 0.000 -39.432) 40.024 4.572 ( 17.666 -0.000 -34.957) 39.167 4.798 ( -20.563 0.000 28.147) 34.858 5.913 ( 16.078 -0.000 31.363) 35.244 6.221 ( 6.298 -0.000 -5.831) 8.582 6.422 ( 10.325 -0.000 2.787) 10.694 6.570 ( 15.604 -0.000 -19.321) 24.835 6.722 ( -6.922 0.000 -6.493) 9.491 7.123 ( -4.988 0.000 -10.752) 11.853 7.438 ( -13.499 0.000 -6.573) 15.014 7.445 ( -3.416 0.000 -0.777) 3.503 7.725 ( 1.544 -0.000 3.955) 4.245 7.732 ( -6.694 0.000 -3.667) 7.633 7.739 ( 0.524 -0.000 2.502) 2.556 7.908 ( -21.019 0.000 -3.003) 21.232 8.049 ( -1.998 0.000 -2.049) 2.862 8.234 ( -10.047 0.000 4.631) 11.063 8.416 ( -8.039 0.000 -7.320) 10.873 8.461 ( 14.054 -0.000 15.185) 20.691 8.783 ( -6.418 0.000 -3.378) 7.253 8.853 ( 2.174 -0.000 0.786) 2.312 8.901 ( -3.824 0.000 -9.550) 10.287 9.052 ( -2.741 0.000 6.613) 7.159 9.247 ( 4.443 -0.000 0.194) 4.448 9.456 ( -4.989 0.000 -2.551) 5.603 9.517 ( 1.697 -0.000 3.836) 4.195 9.758 ( -1.820 0.000 3.725) 4.146 9.833 ( 17.712 -0.000 17.342) 24.788 9.975 ( 7.382 -0.000 8.858) 11.531 10.026 ( -2.494 0.000 2.662) 3.648 10.153 ( -0.592 0.000 -11.037) 11.053 10.380 ( 1.434 -0.000 11.216) 11.307 10.409 ( 6.314 -0.000 -8.507) 10.594 10.790 ( 15.075 -0.000 -7.183) 16.699 10.817 ( 4.073 -0.000 7.893) 8.882 10.914 ( 8.542 -0.000 6.753) 10.889 11.056 ( 22.403 -0.000 -5.771) 23.134 11.298 ( 12.822 -0.000 -6.164) 14.227 11.574 ( 14.838 -0.000 1.512) 14.914 11.599 ( 10.740 -0.000 -1.346) 10.824 11.648 ( 6.419 -0.000 5.599) 8.518 11.906 ( 10.156 -0.000 1.218) 10.229 11.925 ( 9.857 -0.000 -3.227) 10.372 11.939 ( -0.972 0.000 -5.374) 5.461 12.062 ( 19.472 -0.000 0.472) 19.478 12.076 ( 3.297 -0.000 -4.460) 5.547 12.396 ( 15.004 -0.000 -3.819) 15.482 12.729 ( 8.757 -0.000 -3.832) 9.559 12.847 ( 16.553 -0.000 4.578) 17.174 13.003 ( -5.697 0.000 5.804) 8.133 13.357 ( 6.479 -0.000 -11.373) 13.089 13.481 ( 4.003 -0.000 -9.575) 10.378 13.845 ( -0.365 0.000 -1.274) 1.325 14.071 ( -3.148 0.000 3.264) 4.535 14.143 ( -21.458 0.000 -17.256) 27.535 14.250 ( -1.263 0.000 6.982) 7.096 14.495 ( -11.125 0.000 2.318) 11.364 14.669 ( -14.063 0.000 11.396) 18.101 14.918 ( -11.619 0.000 -8.257) 14.254 15.061 ( -3.612 0.000 12.625) 13.132 15.185 ( -14.903 0.000 -6.713) 16.345 15.303 ( -1.277 0.000 -8.081) 8.181 15.458 ( -4.971 0.000 9.363) 10.601 15.460 ( -5.292 0.000 4.250) 6.787 15.499 ( -2.417 0.000 -4.916) 5.478 15.605 ( 8.547 -0.000 -2.530) 8.914 15.953 ( 11.329 -0.000 -5.056) 12.406 15.987 ( -5.647 0.000 17.069) 17.979 16.386 ( 14.272 -0.000 22.798) 26.897 16.467 ( -7.268 0.000 -1.147) 7.358 16.748 ( -12.169 0.000 -4.202) 12.874 16.865 ( -9.570 0.000 -0.619) 9.590 16.882 ( 3.812 -0.000 6.306) 7.369 17.132 ( -11.644 0.000 5.833) 13.023 17.244 ( 2.313 -0.000 -9.350) 9.632 17.316 ( 8.204 -0.000 -7.312) 10.990 17.530 ( -6.066 0.000 4.115) 7.330 17.606 ( 10.393 -0.000 7.748) 12.963 17.713 ( -14.130 0.000 4.014) 14.689 17.889 ( -4.702 0.000 3.683) 5.973 17.978 ( -4.950 0.000 -13.690) 14.557 18.046 ( -5.591 0.000 -10.822) 12.181 18.254 ( 2.001 -0.000 -0.613) 2.093 18.287 ( 6.160 -0.000 -4.189) 7.449 18.454 ( -9.651 0.000 -4.217) 10.532 18.590 ( -2.060 0.000 4.225) 4.701 18.667 ( -8.418 0.000 -4.948) 9.765 18.946 ( -9.851 0.000 -6.911) 12.033 19.030 ( 5.990 -0.000 0.086) 5.990 19.237 ( 12.419 -0.000 -4.040) 13.060 19.281 ( -10.112 0.000 8.466) 13.188 19.501 ( -3.080 0.000 1.573) 3.458 19.513 ( -5.134 0.000 13.937) 14.853 19.754 ( -7.656 0.000 10.640) 13.108 19.795 ( -1.469 0.000 -2.865) 3.220 20.039 ( -0.912 0.000 -2.607) 2.763 20.131 ( -8.677 0.000 -3.159) 9.234 20.203 ( -2.297 0.000 -0.593) 2.372 20.334 ( 0.344 -0.000 -4.071) 4.086 20.786 ( 14.642 -0.000 -2.581) 14.868 21.394 ( 5.034 -0.000 6.796) 8.457 21.530 ( 8.415 -0.000 -25.905) 27.237 22.297 ( -10.625 0.000 4.238) 11.439 22.677 ( 0.590 -0.000 1.989) 2.075 22.979 ( 0.756 -0.000 -1.228) 1.442 23.199 ( 5.143 -0.000 2.068) 5.543 23.243 ( 4.037 -0.000 -1.093) 4.182 23.274 ( 0.521 -0.000 -0.888) 1.030 23.448 ( 13.023 -0.000 4.202) 13.684 23.951 ( 2.505 -0.000 -6.296) 6.776 23.958 ( 0.003 -0.000 -9.922) 9.922 24.544 ( 1.679 -0.000 2.185) 2.756 24.652 ( -3.565 0.000 4.691) 5.892 25.129 ( 3.724 -0.000 12.864) 13.392 25.837 ( 6.459 -0.000 -4.642) 7.954 26.788 ( -8.521 0.000 -2.145) 8.787 27.339 ( -12.178 0.000 11.754) 16.925 ======================= Grid point 11 (7/95) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 59.693 -0.793 -5.553) 59.956 2.721 ( 53.745 -6.471 7.063) 54.592 3.933 ( 3.357 -3.619 -36.565) 36.896 4.448 ( 49.487 -23.354 19.284) 58.019 4.548 ( 39.479 -0.473 -5.265) 39.832 4.974 ( -0.480 -12.330 28.974) 31.492 6.072 ( -3.438 14.935 2.733) 15.568 6.235 ( 16.599 13.286 16.608) 26.979 6.516 ( -0.696 10.382 -11.982) 15.869 6.542 ( -0.180 9.937 4.832) 11.051 6.673 ( -0.109 -1.321 -6.067) 6.210 6.972 ( -4.571 6.753 -6.943) 10.710 7.177 ( -13.181 -3.079 -5.991) 14.803 7.271 ( -10.649 14.080 -2.719) 17.862 7.489 ( -0.200 4.785 0.232) 4.795 7.606 ( -6.557 12.365 -7.067) 15.679 7.752 ( 0.100 3.959 0.994) 4.083 7.767 ( 3.562 5.633 -3.978) 7.761 7.968 ( -7.622 14.859 -1.672) 16.784 8.074 ( 8.037 -0.753 -5.719) 9.893 8.349 ( -5.153 -6.126 1.732) 8.190 8.702 ( 0.286 -13.428 -2.527) 13.666 8.795 ( 1.465 0.775 -1.885) 2.510 8.909 ( 4.108 -6.751 -8.701) 11.754 9.051 ( 7.162 -9.258 -2.809) 12.038 9.210 ( 8.241 -23.222 7.491) 25.755 9.354 ( 4.093 -3.486 3.060) 6.186 9.516 ( 3.030 -10.341 -6.488) 12.578 9.595 ( 6.854 3.961 8.526) 11.635 9.694 ( -6.088 2.007 6.139) 8.876 9.835 ( 5.335 13.795 2.243) 14.959 9.955 ( -1.175 3.604 4.096) 5.581 10.163 ( 6.409 -3.618 -1.433) 7.498 10.339 ( 10.987 -10.732 10.136) 18.402 10.437 ( 6.791 -1.346 6.963) 9.819 10.608 ( 14.679 -3.840 10.385) 18.386 10.956 ( 0.521 -9.178 7.226) 11.693 11.023 ( 1.919 -10.225 2.009) 10.596 11.109 ( 7.403 -7.435 1.876) 10.659 11.150 ( -1.368 -2.294 -7.186) 7.666 11.521 ( 12.522 -5.179 -5.766) 14.726 11.652 ( 9.319 7.193 -7.080) 13.737 11.756 ( 6.856 4.253 5.842) 9.961 11.874 ( 16.249 -0.982 -0.062) 16.279 11.998 ( 7.179 -8.460 3.635) 11.675 12.050 ( 6.206 -8.014 -3.045) 10.584 12.200 ( 10.808 -3.912 -3.773) 12.097 12.230 ( 14.971 -15.846 -0.146) 21.801 12.364 ( 10.938 -11.947 -6.535) 17.467 12.537 ( 7.541 -0.239 -4.652) 8.864 12.809 ( 18.147 9.665 -4.681) 21.087 12.944 ( -6.986 -1.734 3.145) 7.855 13.233 ( 23.792 -0.911 3.886) 24.125 13.378 ( 3.763 -1.230 -14.477) 15.009 13.520 ( 11.784 0.376 -7.931) 14.209 13.804 ( -4.405 2.264 -2.943) 5.762 13.864 ( -3.844 -3.099 -7.863) 9.285 14.046 ( -6.443 0.293 4.418) 7.818 14.268 ( -1.746 -0.055 4.688) 5.002 14.288 ( -12.436 4.247 6.957) 14.869 14.532 ( -13.521 -1.995 5.785) 14.841 14.696 ( -8.357 3.859 -4.031) 10.049 14.942 ( -12.939 -4.217 -9.049) 16.343 15.113 ( -4.633 -1.729 7.818) 9.251 15.236 ( 0.156 4.849 -4.688) 6.746 15.373 ( -3.173 6.552 6.384) 9.683 15.413 ( -3.323 -0.883 1.600) 3.792 15.522 ( -2.526 -3.865 2.386) 5.197 15.648 ( 3.587 5.360 -1.476) 6.617 15.815 ( -8.599 10.648 10.453) 17.221 16.158 ( 7.069 -3.117 3.225) 8.372 16.237 ( -15.777 2.599 -13.562) 20.967 16.436 ( -11.463 10.972 -2.946) 16.139 16.531 ( -7.249 5.280 1.169) 9.044 16.746 ( -4.900 3.531 11.098) 12.635 16.904 ( -4.980 7.801 1.647) 9.401 16.956 ( -9.941 3.218 8.930) 13.745 17.036 ( -3.662 12.305 -1.348) 12.909 17.290 ( -0.082 7.234 -0.437) 7.247 17.459 ( -1.664 -4.901 -1.875) 5.505 17.604 ( -15.785 -4.983 2.574) 16.752 17.796 ( 1.317 4.590 5.391) 7.202 17.869 ( 0.088 3.215 -6.767) 7.492 17.970 ( 10.712 -5.409 -2.297) 12.218 18.030 ( -2.563 -9.855 -4.870) 11.287 18.119 ( -10.415 4.172 -3.253) 11.682 18.254 ( -6.796 1.900 1.020) 7.130 18.414 ( 5.086 -4.320 -1.351) 6.809 18.559 ( -5.163 -4.665 -1.610) 7.142 18.601 ( -0.580 3.197 -2.152) 3.897 18.822 ( -4.282 -3.251 -2.993) 6.153 19.048 ( -6.267 -2.469 -2.067) 7.046 19.212 ( 0.362 1.471 4.824) 5.056 19.324 ( -0.133 2.898 -5.986) 6.652 19.423 ( -3.616 -0.288 1.972) 4.129 19.515 ( 0.715 -2.817 0.391) 2.932 19.725 ( -0.147 0.728 8.414) 8.446 19.802 ( -2.814 -1.522 -0.024) 3.199 19.985 ( -5.026 1.677 -1.731) 5.574 20.029 ( -2.575 -0.450 -1.231) 2.890 20.177 ( 2.486 1.960 1.987) 3.737 20.334 ( -4.011 -1.539 -0.506) 4.326 20.965 ( 13.879 4.111 -2.217) 14.644 21.282 ( 7.357 11.507 0.682) 13.675 21.684 ( -5.790 -7.542 -2.621) 9.863 22.228 ( -9.759 -11.507 1.428) 15.155 22.707 ( 2.204 0.597 -0.617) 2.365 23.013 ( 2.554 -4.675 -3.932) 6.621 23.233 ( 7.118 4.769 3.452) 9.237 23.279 ( -0.079 -1.443 0.313) 1.479 23.388 ( 3.726 -2.936 4.429) 6.490 23.675 ( 15.037 -1.889 3.880) 15.644 23.849 ( -0.423 4.446 -9.900) 10.861 23.971 ( -1.548 -2.566 -9.271) 9.744 24.542 ( 1.270 1.653 -1.613) 2.635 24.644 ( -3.399 -2.349 8.167) 9.152 25.243 ( 5.842 2.693 9.588) 11.546 25.956 ( 8.960 -3.949 -4.808) 10.909 26.637 ( -9.769 0.279 -2.503) 10.088 27.170 ( -11.565 4.491 5.301) 13.492 ======================= Grid point 12 (8/95) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( 52.175 0.528 11.548) 53.440 3.587 ( 40.299 -21.538 -19.663) 49.745 4.077 ( 27.529 -8.010 -12.284) 31.192 4.558 ( 24.148 8.212 -22.963) 34.320 5.244 ( 1.454 -4.559 28.573) 28.971 5.457 ( -8.785 27.696 -4.195) 29.357 6.020 ( 14.093 3.980 6.561) 16.047 6.163 ( 5.728 12.932 4.837) 14.948 6.288 ( 13.889 13.540 12.049) 22.835 6.469 ( -5.192 7.092 -2.777) 9.218 6.571 ( 7.123 12.180 5.275) 15.064 6.616 ( 0.295 13.798 11.049) 17.679 7.005 ( -1.345 16.108 0.946) 16.192 7.135 ( -4.575 1.015 3.484) 5.840 7.318 ( 4.403 8.966 -1.526) 10.105 7.400 ( 5.294 13.923 -2.206) 15.058 7.692 ( 1.079 1.615 -7.311) 7.565 7.697 ( 8.160 5.068 -5.002) 10.830 7.874 ( 9.298 3.249 3.795) 10.555 8.306 ( 10.642 -4.873 -3.907) 12.339 8.409 ( 5.343 -7.163 -0.973) 8.989 8.757 ( 0.251 0.261 -8.174) 8.182 8.880 ( -1.864 -14.025 -3.282) 14.524 8.983 ( 0.540 -5.243 -14.048) 15.004 9.230 ( 5.208 -3.113 -6.041) 8.562 9.296 ( -4.062 1.915 2.487) 5.134 9.508 ( -8.421 2.465 -3.954) 9.624 9.631 ( 0.676 -5.298 5.890) 7.951 9.728 ( -3.865 1.025 3.160) 5.097 9.788 ( 6.371 -5.058 -0.967) 8.192 9.890 ( 6.219 -15.080 5.129) 17.099 10.030 ( 16.446 -10.644 -0.177) 19.591 10.342 ( 9.087 -6.290 -2.163) 11.261 10.471 ( -6.163 -4.331 -1.905) 7.769 10.627 ( 9.685 -1.972 15.422) 18.317 10.998 ( -6.627 -2.892 0.065) 7.231 11.041 ( 0.063 -9.909 -0.452) 9.919 11.149 ( -0.080 -6.422 2.843) 7.023 11.257 ( 7.069 -14.338 5.717) 16.977 11.383 ( 12.947 -13.254 12.268) 22.222 11.546 ( 3.443 6.009 -9.271) 11.573 11.677 ( 5.139 0.754 -2.913) 5.955 11.870 ( 10.817 0.985 2.896) 11.241 12.024 ( 7.123 -4.040 -7.003) 10.775 12.161 ( -0.392 -6.598 2.911) 7.222 12.337 ( 7.551 -5.955 8.806) 13.039 12.412 ( 16.108 -1.620 1.232) 16.236 12.480 ( 2.701 -4.958 -10.979) 12.346 12.707 ( 13.715 -12.608 -1.818) 18.718 12.787 ( 15.669 -11.173 4.223) 19.702 12.838 ( 6.475 6.637 -0.774) 9.304 12.909 ( 2.322 -1.968 1.657) 3.466 13.416 ( 9.817 -1.668 -4.797) 11.053 13.587 ( 16.230 -2.579 -6.538) 17.687 13.626 ( 3.928 1.115 0.081) 4.084 13.822 ( -0.864 -6.383 -8.308) 10.512 13.835 ( -1.182 -4.035 -4.985) 6.522 13.995 ( 1.950 -3.366 5.165) 6.466 14.151 ( -8.563 -1.709 -2.488) 9.080 14.201 ( -5.347 8.275 4.801) 10.959 14.414 ( -8.230 -1.804 2.388) 8.757 14.534 ( -6.630 4.976 -2.654) 8.704 14.837 ( -5.484 -0.400 -4.585) 7.160 14.991 ( -6.923 7.601 -4.668) 11.291 15.119 ( -4.578 6.668 -2.879) 8.586 15.306 ( -3.116 2.609 9.296) 10.146 15.343 ( -10.166 1.786 2.216) 10.557 15.448 ( -6.337 3.306 5.219) 8.850 15.576 ( -2.253 2.443 0.128) 3.325 15.698 ( 1.108 2.284 4.194) 4.903 15.872 ( -14.072 4.480 -9.807) 17.728 16.124 ( -10.452 7.929 -3.229) 13.511 16.202 ( -15.004 15.586 6.664) 22.637 16.293 ( 8.906 5.354 2.498) 10.687 16.597 ( -11.331 11.767 -2.428) 16.515 16.665 ( -10.455 -0.222 1.343) 10.544 16.796 ( -4.733 4.233 10.789) 12.519 16.891 ( -11.111 2.641 -1.591) 11.531 17.148 ( -4.106 9.998 0.099) 10.809 17.358 ( -10.502 2.261 -5.578) 12.105 17.584 ( -4.480 -10.562 6.435) 13.154 17.737 ( -0.839 2.499 4.964) 5.621 17.832 ( -1.482 -0.641 -1.372) 2.119 17.972 ( -0.850 1.945 -5.307) 5.715 18.049 ( -6.383 -8.926 -7.059) 13.048 18.170 ( -0.784 1.846 -4.553) 4.975 18.216 ( 11.019 0.654 1.593) 11.153 18.489 ( -3.361 0.204 1.353) 3.629 18.540 ( -4.793 -5.496 1.777) 7.506 18.632 ( 7.956 -4.232 -1.617) 9.156 18.898 ( 5.754 -3.277 2.835) 7.203 18.985 ( -8.553 -4.934 0.725) 9.901 19.192 ( -6.702 -1.276 -3.409) 7.626 19.222 ( 0.073 1.686 -2.967) 3.414 19.450 ( 2.252 -1.427 2.593) 3.720 19.576 ( 2.862 -1.317 -3.954) 5.056 19.744 ( -3.582 1.574 -2.017) 4.402 19.771 ( 2.190 -0.567 3.815) 4.435 19.897 ( -1.236 2.368 -0.532) 2.724 20.022 ( 0.660 -0.651 0.085) 0.932 20.204 ( -0.897 2.743 1.218) 3.132 20.258 ( -3.749 1.299 4.512) 6.008 21.017 ( 10.856 9.867 -2.190) 14.832 21.294 ( 2.970 1.743 4.811) 5.917 21.609 ( -8.254 -1.351 -1.984) 8.596 22.321 ( -8.469 -16.433 0.163) 18.488 22.710 ( 4.040 3.095 -3.099) 5.959 23.113 ( 3.305 -3.774 -2.529) 5.618 23.290 ( 1.969 0.875 1.046) 2.395 23.334 ( 7.562 2.494 7.075) 10.652 23.432 ( 0.311 -0.159 3.420) 3.438 23.706 ( -2.570 4.824 -10.681) 11.998 23.926 ( -1.910 -1.393 -6.254) 6.686 23.963 ( 13.931 -5.175 0.875) 14.887 24.552 ( -0.582 -4.698 -5.461) 7.227 24.669 ( -3.818 -0.627 12.307) 12.901 25.270 ( 4.995 8.678 4.687) 11.056 26.128 ( 8.038 -5.172 -3.589) 10.209 26.520 ( -6.963 -2.519 -2.250) 7.739 26.962 ( -10.231 5.279 2.967) 11.889 ======================= Grid point 13 (9/95) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.970 ( 34.045 -5.602 8.764) 35.599 4.221 ( 36.571 -7.094 -5.844) 37.708 4.641 ( 5.942 10.059 -2.035) 11.859 4.775 ( 14.637 11.495 -9.742) 21.007 4.814 ( 29.928 6.267 -14.297) 33.754 5.262 ( -0.218 15.286 1.123) 15.329 5.731 ( -5.789 27.556 7.068) 29.031 5.986 ( -12.418 20.625 1.041) 24.098 6.028 ( 7.899 4.609 5.673) 10.762 6.235 ( -4.865 12.603 -4.506) 14.241 6.336 ( 8.628 18.670 -1.652) 20.634 6.712 ( 13.161 16.333 13.790) 25.103 6.865 ( 2.845 13.508 1.509) 13.887 7.235 ( 10.441 13.623 0.616) 17.175 7.315 ( 8.440 5.398 1.318) 10.104 7.654 ( 3.807 1.934 -2.441) 4.919 7.753 ( 16.513 1.654 4.698) 17.248 7.988 ( 25.554 -17.939 12.909) 33.785 8.032 ( 13.397 -3.052 5.209) 14.695 8.360 ( 5.181 -2.177 5.610) 7.941 8.644 ( 6.013 -4.497 -2.481) 7.908 8.662 ( -3.978 8.866 -10.559) 14.350 8.915 ( -3.373 5.251 -14.203) 15.514 8.929 ( -1.346 5.710 -4.038) 7.122 9.191 ( -4.094 -5.193 -1.342) 6.748 9.323 ( -6.643 -9.219 -3.414) 11.865 9.408 ( -0.831 -4.115 -2.451) 4.861 9.627 ( -4.390 1.387 -1.852) 4.962 9.703 ( -7.628 -5.032 1.837) 9.321 9.909 ( 3.582 -4.922 -3.111) 6.837 9.976 ( 4.801 -0.852 7.622) 9.048 10.288 ( -10.636 -5.393 -5.312) 13.055 10.463 ( -0.121 -2.986 -6.598) 7.243 10.525 ( 7.714 -0.544 -1.689) 7.916 10.836 ( 2.456 -7.144 6.381) 9.889 10.969 ( -5.723 -7.192 -0.513) 9.206 11.068 ( -1.809 -3.531 -0.575) 4.009 11.263 ( -4.566 -7.025 13.768) 16.117 11.357 ( 7.518 1.259 0.781) 7.663 11.459 ( -2.498 3.987 0.458) 4.727 11.702 ( 4.477 3.208 2.770) 6.165 11.816 ( 7.347 -3.909 -2.985) 8.842 12.131 ( 1.026 -4.529 5.045) 6.857 12.145 ( 1.021 -8.210 -9.012) 12.234 12.291 ( 2.497 0.046 9.361) 9.688 12.418 ( 6.505 -6.519 7.565) 11.918 12.509 ( 1.493 -2.076 -7.106) 7.553 12.591 ( 4.611 -1.814 -1.088) 5.074 12.839 ( 6.345 3.001 -1.074) 7.101 12.974 ( -2.292 -2.800 7.237) 8.091 13.108 ( 14.286 -13.208 2.975) 19.682 13.222 ( 19.360 -6.251 4.350) 20.804 13.469 ( -0.292 5.624 -3.074) 6.416 13.600 ( -13.077 7.093 -9.057) 17.417 13.715 ( 6.568 3.708 -3.930) 8.505 13.767 ( -1.869 -3.050 -14.577) 15.010 13.919 ( -3.687 -5.873 -3.033) 7.569 14.009 ( -3.528 -4.124 2.054) 5.803 14.050 ( 6.620 1.102 -1.695) 6.922 14.182 ( 6.167 -3.531 -4.332) 8.323 14.367 ( -3.287 1.187 3.338) 4.833 14.426 ( 3.248 -1.455 5.400) 6.468 14.634 ( -2.747 9.310 0.239) 9.710 14.816 ( -11.462 4.195 2.153) 12.394 15.031 ( 0.196 1.761 -1.791) 2.519 15.131 ( -6.923 7.336 1.525) 10.201 15.203 ( -8.602 -4.313 0.715) 9.649 15.430 ( -1.545 -2.090 0.377) 2.626 15.502 ( -5.360 0.370 1.153) 5.495 15.652 ( -1.990 -1.911 -3.882) 4.763 15.814 ( -7.433 -2.783 -1.828) 8.144 15.830 ( -5.761 12.947 4.106) 14.753 15.904 ( 1.670 7.564 6.501) 10.113 16.306 ( -7.023 6.208 -4.961) 10.605 16.367 ( 5.105 2.325 3.788) 6.769 16.508 ( -10.008 1.670 4.397) 11.058 16.672 ( -10.550 -0.851 -6.592) 12.470 16.774 ( -5.946 -2.586 7.484) 9.903 16.959 ( -3.597 7.694 2.042) 8.735 17.270 ( -0.725 -5.076 -5.514) 7.529 17.651 ( -5.539 -5.020 5.349) 9.192 17.689 ( -4.833 -0.669 -8.101) 9.457 17.887 ( -5.618 -7.077 2.338) 9.334 17.926 ( 2.453 -1.301 0.763) 2.879 18.038 ( -4.077 -1.902 -3.606) 5.765 18.106 ( 2.052 3.475 -4.875) 6.329 18.343 ( 8.225 0.987 -1.905) 8.500 18.434 ( -1.867 2.263 1.361) 3.234 18.566 ( -4.132 -5.430 3.221) 7.545 18.773 ( 2.335 -3.199 -2.142) 4.503 18.920 ( -9.125 -3.581 2.235) 10.054 19.071 ( 6.122 -4.913 5.344) 9.496 19.137 ( -2.930 -3.006 -3.092) 5.214 19.206 ( 2.042 3.174 1.742) 4.157 19.469 ( 3.017 4.578 -0.036) 5.483 19.589 ( 1.703 1.799 -5.038) 5.614 19.687 ( -1.901 -1.262 -0.848) 2.434 19.852 ( 2.178 -3.574 1.983) 4.631 19.896 ( 5.099 0.399 1.171) 5.247 20.037 ( -0.580 2.825 -2.166) 3.607 20.097 ( -0.573 3.661 3.555) 5.135 20.243 ( -2.768 -0.371 1.554) 3.196 21.016 ( 7.656 8.258 1.145) 11.319 21.309 ( 0.283 2.236 1.651) 2.794 21.526 ( -6.953 -4.640 -2.377) 8.690 22.400 ( -11.602 -14.371 -1.671) 18.545 22.723 ( 6.378 4.069 -1.468) 7.706 23.181 ( 4.248 0.062 -1.253) 4.430 23.298 ( 0.317 0.185 0.403) 0.545 23.328 ( 0.346 5.743 5.227) 7.773 23.539 ( -2.187 6.470 -9.430) 11.643 23.573 ( 7.796 -4.199 4.969) 10.154 23.916 ( -1.361 -2.954 -1.265) 3.490 24.200 ( 10.423 -3.279 -4.196) 11.705 24.573 ( -7.582 -4.423 3.435) 9.426 24.654 ( -1.750 0.506 4.571) 4.921 25.214 ( 4.903 9.209 0.589) 10.450 26.258 ( 3.541 -2.516 -1.842) 4.718 26.501 ( -2.861 -5.350 -2.040) 6.401 26.785 ( -6.811 3.418 2.124) 7.911 ======================= Grid point 14 (10/95) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.891 ( -10.340 40.440 -4.228) 41.955 4.191 ( 3.150 23.435 8.822) 25.237 4.737 ( -25.237 39.247 9.229) 47.565 4.888 ( 31.598 0.447 10.671) 33.355 4.993 ( 21.803 -5.301 -2.117) 22.538 5.177 ( 22.130 6.404 -11.846) 25.906 5.611 ( 0.854 9.596 -19.642) 21.877 5.808 ( 32.900 -13.565 -7.199) 36.308 6.115 ( 12.165 7.445 0.430) 14.269 6.207 ( 18.229 14.019 -5.714) 23.696 6.373 ( 15.790 -6.565 15.455) 23.050 6.739 ( 2.588 8.959 2.338) 9.613 6.871 ( 16.561 7.014 15.805) 23.943 7.184 ( 7.934 8.148 -5.672) 12.708 7.399 ( 13.744 8.687 2.668) 16.477 7.608 ( 0.641 12.422 -8.522) 15.078 7.854 ( -17.290 22.080 -5.130) 28.509 7.887 ( 7.538 15.420 -4.584) 17.765 8.070 ( 1.456 9.621 6.282) 11.582 8.221 ( -6.676 4.829 -1.249) 8.334 8.564 ( -5.753 6.014 -6.779) 10.734 8.782 ( 5.734 -4.715 9.160) 11.790 8.880 ( 3.508 -3.060 -1.003) 4.762 9.072 ( 14.954 -5.160 6.291) 17.024 9.225 ( -0.739 -5.113 -2.959) 5.953 9.305 ( -2.908 -3.981 -9.024) 10.283 9.447 ( -13.902 -8.362 1.965) 16.342 9.639 ( -3.020 -6.298 4.991) 8.585 9.688 ( 4.409 -1.575 2.458) 5.288 9.908 ( -7.241 5.329 -2.619) 9.364 10.106 ( -1.554 -4.065 4.077) 5.963 10.190 ( -5.322 -7.716 -5.455) 10.845 10.416 ( -5.232 16.368 5.600) 18.074 10.488 ( -1.213 -4.148 -4.808) 6.465 10.829 ( -8.765 7.209 3.415) 11.852 11.019 ( -5.081 -2.143 2.843) 6.204 11.097 ( -0.999 -6.783 4.908) 8.432 11.269 ( -10.679 3.776 5.785) 12.718 11.340 ( -2.040 -3.294 6.435) 7.512 11.487 ( 2.426 -3.252 -7.811) 8.801 11.727 ( 6.003 6.644 2.722) 9.359 11.853 ( 3.073 5.756 -0.913) 6.588 11.889 ( -8.130 5.997 -7.940) 12.849 12.186 ( -10.290 -0.581 -2.784) 10.676 12.323 ( -5.172 4.073 -2.864) 7.179 12.454 ( 2.163 4.932 0.436) 5.404 12.543 ( -17.510 4.262 0.288) 18.024 12.652 ( 1.878 1.118 -3.932) 4.498 12.776 ( -5.658 4.179 5.152) 8.719 12.885 ( 8.997 12.764 1.633) 15.702 13.003 ( -11.763 8.003 -8.975) 16.822 13.285 ( -2.147 9.753 -3.075) 10.450 13.408 ( -3.705 -1.942 -0.446) 4.207 13.593 ( 6.583 -4.071 1.875) 7.964 13.699 ( 2.756 -3.041 -8.328) 9.285 13.882 ( 0.134 10.771 5.000) 11.876 13.912 ( -4.552 -9.584 -0.894) 10.647 14.095 ( 8.969 5.553 3.227) 11.031 14.167 ( 3.175 -6.535 -0.868) 7.317 14.236 ( 4.301 -3.464 -2.991) 6.280 14.402 ( 2.214 -0.116 10.262) 10.499 14.522 ( 9.478 2.157 1.913) 9.907 14.631 ( -0.366 -5.558 -3.099) 6.374 14.718 ( 7.821 -9.088 6.138) 13.470 15.053 ( -0.356 3.910 -0.205) 3.932 15.134 ( 4.642 -4.342 1.024) 6.439 15.235 ( -1.262 -13.027 -7.518) 15.094 15.420 ( -1.586 -6.180 2.352) 6.800 15.486 ( -4.077 -3.403 7.395) 9.104 15.636 ( 1.594 -1.417 -7.075) 7.389 15.673 ( -1.534 2.776 2.039) 3.770 15.745 ( -0.446 -4.519 0.519) 4.570 16.046 ( 7.481 -6.096 4.750) 10.756 16.150 ( -3.921 0.437 -6.425) 7.539 16.385 ( -2.491 -3.638 1.045) 4.531 16.462 ( 3.174 2.414 3.636) 5.396 16.622 ( -3.506 -6.888 -1.106) 7.808 16.742 ( -7.169 -5.660 2.680) 9.518 16.928 ( 2.441 -2.959 4.648) 6.026 17.367 ( 0.389 -6.320 -5.562) 8.428 17.596 ( -1.541 -1.583 -10.094) 10.333 17.667 ( -2.978 -5.637 -5.589) 8.478 17.785 ( -10.596 -0.374 3.048) 11.032 17.937 ( -5.206 -3.253 -11.589) 13.115 18.055 ( 2.366 4.574 -3.166) 6.045 18.141 ( 3.058 -5.504 12.006) 13.557 18.348 ( -9.644 -3.565 4.061) 11.055 18.420 ( 7.243 5.717 -4.324) 10.191 18.621 ( -0.159 -2.485 4.814) 5.420 18.736 ( -6.192 -0.368 1.700) 6.432 18.889 ( -4.024 -5.099 -1.486) 6.663 19.135 ( 1.700 6.954 0.802) 7.203 19.155 ( -2.328 -1.014 1.051) 2.748 19.258 ( 7.240 -2.864 7.424) 10.758 19.456 ( 1.858 4.468 -2.537) 5.464 19.566 ( 0.343 -1.589 3.038) 3.445 19.716 ( 1.191 -2.847 -0.007) 3.086 19.849 ( -1.453 2.269 -0.674) 2.777 19.944 ( 2.614 8.119 -2.690) 8.944 20.041 ( 3.032 -3.967 -3.694) 6.211 20.119 ( 4.870 -1.557 4.539) 6.837 20.235 ( -0.185 -2.166 0.039) 2.174 20.997 ( 5.008 8.615 1.939) 10.152 21.243 ( -2.851 2.424 -6.442) 7.450 21.552 ( -2.062 -7.572 3.312) 8.518 22.382 ( -13.883 -11.175 -4.378) 18.352 22.744 ( 4.823 4.852 2.577) 7.311 23.212 ( 2.841 3.158 -0.333) 4.261 23.284 ( -0.955 -0.367 -0.034) 1.024 23.318 ( 5.701 5.526 0.695) 7.970 23.400 ( -2.383 2.228 -5.463) 6.363 23.736 ( 5.591 -1.836 3.839) 7.026 23.957 ( 0.630 -2.662 2.522) 3.721 24.229 ( -1.811 7.490 -0.956) 7.765 24.519 ( -3.693 -0.342 3.948) 5.416 24.672 ( -2.504 -4.960 -2.354) 6.035 25.182 ( 6.465 6.416 -1.033) 9.166 26.273 ( -0.962 2.410 -0.255) 2.607 26.513 ( -4.682 -3.870 0.118) 6.075 26.755 ( 1.328 -4.900 -0.686) 5.123 ======================= Grid point 15 (11/95) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 1.913 52.597 -7.458) 53.157 3.724 ( -26.415 49.100 15.285) 57.811 3.992 ( -6.926 13.820 23.735) 28.325 4.892 ( -10.171 3.910 -41.375) 42.786 5.056 ( 13.648 18.400 13.678) 26.682 5.604 ( 20.835 4.388 -5.596) 22.015 5.792 ( -3.609 26.555 -11.395) 29.121 5.874 ( 18.807 1.320 2.994) 19.090 6.269 ( -2.616 12.799 -11.497) 17.402 6.456 ( 26.759 5.735 1.000) 27.385 6.520 ( 20.589 -10.000 4.967) 23.422 6.822 ( 19.899 -7.630 5.866) 22.104 7.128 ( 11.414 -3.823 3.637) 12.574 7.199 ( 15.074 -3.921 7.048) 17.096 7.325 ( 10.088 3.100 1.011) 10.601 7.488 ( 9.817 5.083 2.438) 11.321 7.579 ( -2.270 9.397 1.413) 9.770 7.844 ( 9.365 9.496 -5.620) 14.473 8.040 ( -3.272 1.562 2.105) 4.193 8.130 ( -2.510 6.785 2.106) 7.535 8.357 ( -4.517 5.639 2.699) 7.712 8.833 ( -5.649 -2.830 -3.969) 7.461 8.933 ( 2.682 -0.850 -4.611) 5.402 9.192 ( -7.741 2.752 1.933) 8.440 9.236 ( 2.571 -2.090 0.414) 3.339 9.319 ( -2.211 3.137 -0.975) 3.960 9.374 ( -5.852 -7.116 1.150) 9.285 9.556 ( -21.581 6.334 2.370) 22.616 9.657 ( 0.102 6.290 2.114) 6.637 9.866 ( 2.810 -1.808 -2.267) 4.038 10.012 ( -7.170 10.532 7.829) 14.954 10.039 ( -13.311 5.592 2.738) 14.695 10.188 ( -2.602 10.428 0.446) 10.757 10.385 ( -3.455 3.431 2.418) 5.437 10.582 ( -4.869 9.678 -16.291) 19.564 10.925 ( -14.227 5.039 -2.320) 15.271 11.018 ( -17.123 5.191 4.746) 18.511 11.119 ( -9.231 -1.866 2.289) 9.692 11.295 ( -4.391 1.898 -2.195) 5.263 11.458 ( -10.660 9.808 2.900) 14.773 11.605 ( -0.586 8.029 -14.669) 16.733 11.680 ( -2.537 3.017 -0.754) 4.014 11.823 ( 3.284 5.588 4.108) 7.673 11.895 ( -8.847 -4.849 -1.647) 10.222 12.298 ( 8.105 4.546 3.446) 9.912 12.360 ( -2.421 10.065 0.722) 10.377 12.423 ( -3.778 4.231 -2.443) 6.176 12.570 ( -5.612 8.833 5.621) 11.879 12.647 ( -5.229 8.271 2.252) 10.041 12.764 ( -6.554 5.360 0.029) 8.467 12.835 ( 3.755 8.682 5.831) 11.112 12.993 ( -7.713 10.071 -4.469) 13.449 13.297 ( -2.891 11.980 -1.299) 12.392 13.455 ( -6.827 7.033 -0.666) 9.825 13.754 ( 1.803 11.244 4.559) 12.266 13.800 ( 1.903 -4.360 -2.004) 5.162 13.969 ( -2.411 -4.023 0.337) 4.702 14.076 ( 1.705 6.658 -2.975) 7.489 14.136 ( 3.822 2.961 -5.898) 7.626 14.445 ( 4.014 -0.262 10.018) 10.796 14.579 ( 11.344 -8.373 2.865) 14.387 14.636 ( 5.748 -4.918 -3.368) 8.281 14.866 ( 2.299 -14.058 -0.812) 14.268 14.926 ( 3.320 -5.661 -5.083) 8.301 15.027 ( 1.119 -2.656 1.940) 3.474 15.184 ( -5.168 -4.173 -5.181) 8.424 15.296 ( -1.340 -1.379 4.552) 4.942 15.446 ( 0.368 -2.333 4.025) 4.667 15.585 ( -1.581 -4.665 -0.093) 4.927 15.721 ( 6.783 -5.075 0.223) 8.474 15.891 ( 16.143 -14.927 -1.007) 22.010 15.979 ( 4.840 -11.958 5.732) 14.117 16.090 ( 1.153 -8.243 -4.558) 9.489 16.351 ( 12.536 -4.846 6.538) 14.946 16.454 ( 0.030 -7.889 3.201) 8.514 16.553 ( 6.912 -10.016 0.012) 12.170 16.696 ( 0.618 -6.608 -3.892) 7.694 16.863 ( -2.269 -18.262 0.957) 18.427 17.041 ( 1.581 -2.298 3.810) 4.722 17.317 ( -8.143 -5.240 -13.672) 16.754 17.523 ( -3.081 12.794 -4.610) 13.944 17.601 ( -7.370 -8.309 -5.656) 12.464 17.811 ( -3.454 -10.756 4.739) 12.250 17.943 ( 1.951 -11.730 -8.749) 14.763 18.052 ( 3.030 0.613 -3.320) 4.536 18.149 ( -8.222 2.926 4.190) 9.680 18.314 ( 1.371 4.132 -2.531) 5.036 18.402 ( -4.015 -3.371 3.272) 6.180 18.579 ( -2.082 4.547 7.138) 8.716 18.816 ( 3.094 -8.155 4.565) 9.845 18.923 ( -0.020 -4.767 -2.084) 5.203 19.045 ( 3.431 7.422 -0.513) 8.193 19.152 ( -3.035 0.981 6.259) 7.025 19.358 ( -3.682 1.017 -2.959) 4.832 19.413 ( 4.832 1.180 4.261) 6.550 19.647 ( 1.076 -1.193 7.988) 8.148 19.740 ( -1.207 1.032 2.553) 3.007 19.820 ( 0.630 0.491 -1.860) 2.024 19.885 ( 2.766 -1.356 -6.480) 7.175 20.054 ( 1.459 0.231 -4.107) 4.365 20.170 ( -0.372 2.868 1.264) 3.156 20.382 ( 9.052 -7.116 0.603) 11.530 20.921 ( 2.412 11.047 1.452) 11.400 21.123 ( -5.065 2.603 -6.838) 8.899 21.697 ( 4.056 -9.080 3.304) 10.479 22.316 ( -12.829 -9.677 -3.670) 16.483 22.752 ( 2.568 3.330 4.319) 6.028 23.151 ( -3.297 4.267 0.578) 5.423 23.267 ( 1.783 4.873 -4.276) 6.724 23.308 ( 5.238 2.639 -0.477) 5.884 23.395 ( 2.670 0.613 -1.340) 3.049 23.801 ( -1.617 2.711 3.219) 4.509 23.936 ( -4.378 4.058 2.558) 6.494 24.107 ( 2.584 4.394 3.302) 6.073 24.475 ( -3.014 2.294 -1.437) 4.051 24.682 ( -3.624 -3.773 -1.384) 5.412 25.195 ( 6.703 4.703 -2.455) 8.549 26.166 ( -3.658 7.328 1.256) 8.286 26.541 ( -1.855 -7.403 0.334) 7.639 26.892 ( 3.010 -9.275 -2.102) 9.975 ======================= Grid point 16 (12/95) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 13.266 58.930 -7.113) 60.822 2.691 ( -19.729 57.018 12.699) 61.657 3.972 ( -13.334 28.058 10.498) 32.791 4.140 ( -25.228 35.067 8.723) 44.071 4.660 ( -14.786 0.512 -41.345) 43.912 5.105 ( 5.751 21.535 9.222) 24.122 5.745 ( 20.409 13.590 -7.989) 25.788 6.280 ( 3.159 -3.286 1.714) 4.869 6.404 ( 15.954 -3.327 2.383) 16.470 6.575 ( 4.082 6.925 1.736) 8.224 6.978 ( 15.670 -1.285 11.729) 19.615 7.072 ( 12.239 -5.134 1.724) 13.384 7.422 ( 7.622 -9.487 6.855) 13.967 7.481 ( 5.901 -1.347 -1.217) 6.174 7.554 ( 6.663 -11.970 1.242) 13.755 7.604 ( 9.766 3.042 3.146) 10.702 7.654 ( 18.686 -2.847 6.056) 19.848 7.806 ( -3.200 -1.954 -1.679) 4.108 7.936 ( 4.296 6.033 -8.773) 11.481 7.976 ( -5.823 -4.452 2.500) 7.745 8.374 ( -4.979 -2.396 2.059) 5.897 8.593 ( -16.732 7.555 -8.320) 20.156 8.928 ( -7.212 3.800 -1.357) 8.264 9.002 ( 6.520 4.173 -9.723) 12.429 9.063 ( -13.430 7.022 -1.664) 15.246 9.244 ( -5.069 3.597 2.132) 6.571 9.279 ( -2.292 5.479 10.617) 12.165 9.457 ( -2.075 -4.743 -0.950) 5.264 9.564 ( -10.564 -2.542 8.073) 13.537 9.715 ( -8.996 9.138 0.310) 12.827 9.815 ( 9.040 4.855 -11.515) 15.424 9.947 ( -1.420 10.732 -1.638) 10.949 9.985 ( -3.740 15.356 2.460) 15.995 10.273 ( -2.410 3.930 -6.118) 7.660 10.373 ( -1.972 0.026 3.374) 3.908 10.649 ( 3.226 6.246 1.342) 7.157 10.843 ( -11.010 0.337 0.836) 11.047 10.999 ( -8.441 -2.331 -3.871) 9.574 11.124 ( -4.952 13.976 1.350) 14.889 11.302 ( -4.186 8.602 -6.001) 11.292 11.392 ( -3.148 7.864 0.318) 8.477 11.657 ( -4.923 1.252 3.183) 5.994 11.776 ( 0.497 9.484 7.180) 11.906 11.821 ( -1.962 -0.684 -5.754) 6.117 12.017 ( -18.210 15.824 -10.232) 26.205 12.068 ( -6.259 16.314 -2.056) 17.594 12.334 ( 0.819 9.693 1.693) 9.874 12.408 ( -0.263 5.519 1.040) 5.622 12.469 ( -4.018 10.103 6.445) 12.640 12.595 ( -2.959 13.536 3.251) 14.232 12.691 ( -1.912 16.111 0.911) 16.249 12.913 ( 3.307 7.357 4.793) 9.383 13.009 ( -7.596 9.644 1.080) 12.324 13.440 ( 4.629 7.912 5.974) 10.941 13.684 ( 1.687 6.601 5.423) 8.708 13.758 ( -2.250 1.017 -7.699) 8.085 14.053 ( 5.358 -4.442 -3.797) 7.928 14.081 ( 4.560 -4.323 -8.442) 10.523 14.178 ( 7.965 -7.091 9.966) 14.596 14.543 ( 3.838 0.772 8.863) 9.690 14.763 ( 3.839 -3.469 -0.085) 5.174 14.817 ( 7.481 -6.187 0.703) 9.734 14.853 ( -15.646 -11.235 -12.848) 23.153 14.987 ( -6.965 -0.915 -8.443) 10.983 15.130 ( -1.334 -10.506 3.711) 11.221 15.150 ( -1.340 -4.007 -3.831) 5.704 15.404 ( 6.312 -7.260 1.973) 9.821 15.591 ( 1.317 -2.111 -0.516) 2.541 15.633 ( 7.288 -6.712 1.030) 9.961 15.898 ( 6.139 0.196 11.226) 12.797 16.034 ( 2.900 2.020 -1.182) 3.727 16.141 ( 0.938 -2.168 1.294) 2.693 16.417 ( 5.500 -17.679 -3.737) 18.888 16.544 ( 3.354 -10.242 -4.280) 11.596 16.622 ( 3.169 -3.009 4.943) 6.598 16.808 ( 7.039 -5.177 -3.770) 9.516 16.918 ( 10.561 -13.642 5.472) 18.099 16.980 ( -6.457 3.620 -5.374) 9.148 17.119 ( -0.759 -15.055 -2.028) 15.210 17.302 ( 0.703 -10.100 6.835) 12.216 17.339 ( -0.463 -1.724 -6.224) 6.475 17.625 ( -11.514 -17.198 -8.980) 22.561 17.929 ( -10.350 2.646 0.752) 10.709 17.948 ( -2.405 -10.246 7.126) 12.710 18.069 ( -1.539 0.882 1.773) 2.508 18.206 ( 9.308 -10.570 -3.815) 14.592 18.238 ( -3.470 2.493 -4.979) 6.561 18.396 ( 4.794 2.993 -3.641) 6.722 18.571 ( -0.429 1.637 9.673) 9.820 18.965 ( -0.075 -2.623 -0.546) 2.680 18.972 ( 2.014 -1.224 2.480) 3.421 19.071 ( 4.483 2.966 0.732) 5.425 19.110 ( -0.178 -4.319 2.900) 5.206 19.293 ( -4.439 -2.085 -1.144) 5.036 19.369 ( -2.099 9.069 -0.800) 9.344 19.681 ( -0.904 -2.329 2.640) 3.635 19.737 ( 4.787 2.554 1.606) 5.658 19.865 ( -0.102 -3.753 5.910) 7.002 19.963 ( 2.702 -5.005 -6.385) 8.551 20.069 ( 0.532 -3.331 -2.076) 3.961 20.115 ( -1.442 2.092 -0.089) 2.542 20.592 ( 8.155 -4.399 -1.477) 9.383 20.768 ( -1.308 12.562 2.336) 12.844 20.969 ( -5.618 4.965 -3.212) 8.156 21.949 ( 10.690 -10.523 0.658) 15.015 22.281 ( -10.690 -9.841 1.064) 14.569 22.752 ( 0.028 1.836 1.058) 2.120 23.040 ( -2.806 4.596 1.210) 5.520 23.223 ( 1.578 3.023 -2.158) 4.036 23.332 ( 4.966 4.277 -2.060) 6.871 23.398 ( 2.264 3.269 1.557) 4.271 23.576 ( -8.529 11.946 2.094) 14.827 23.954 ( 4.894 1.359 1.570) 5.316 24.092 ( -2.624 1.653 2.426) 3.937 24.364 ( -3.541 4.893 -3.270) 6.868 24.677 ( -1.820 -1.902 -0.154) 2.637 25.189 ( 3.221 4.673 -2.673) 6.273 26.013 ( -2.573 8.395 1.503) 8.909 26.660 ( 0.779 -9.755 0.091) 9.787 27.050 ( 1.275 -9.806 -2.773) 10.270 ======================= Grid point 17 (13/95) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.000 58.686 -0.000) 58.686 1.815 ( 0.000 63.262 -0.000) 63.262 2.471 ( 0.000 87.267 -0.000) 87.267 4.329 ( -0.000 -7.510 0.000) 7.510 4.478 ( -0.000 -6.011 0.000) 6.011 4.974 ( -0.000 -0.005 0.000) 0.005 5.703 ( 0.000 13.017 -0.000) 13.017 6.269 ( 0.000 5.749 -0.000) 5.749 6.422 ( 0.000 11.300 -0.000) 11.300 6.552 ( -0.000 -2.714 0.000) 2.714 7.005 ( 0.000 17.930 -0.000) 17.930 7.295 ( -0.000 -3.985 0.000) 3.985 7.505 ( -0.000 -12.771 0.000) 12.771 7.544 ( 0.000 1.460 -0.000) 1.460 7.620 ( 0.000 4.015 -0.000) 4.015 7.753 ( 0.000 6.564 -0.000) 6.564 7.761 ( 0.000 1.715 -0.000) 1.715 7.970 ( -0.000 -13.161 0.000) 13.161 8.035 ( -0.000 -1.553 0.000) 1.553 8.076 ( -0.000 -10.419 0.000) 10.419 8.164 ( -0.000 -22.127 0.000) 22.127 8.645 ( -0.000 -7.062 0.000) 7.062 8.691 ( 0.000 6.309 -0.000) 6.309 9.001 ( -0.000 -4.995 0.000) 4.995 9.043 ( 0.000 0.798 -0.000) 0.798 9.097 ( 0.000 1.556 -0.000) 1.556 9.264 ( 0.000 8.745 -0.000) 8.745 9.381 ( 0.000 2.041 -0.000) 2.041 9.504 ( 0.000 3.276 -0.000) 3.276 9.634 ( -0.000 -6.646 0.000) 6.646 9.826 ( -0.000 -5.351 0.000) 5.351 9.834 ( 0.000 8.796 -0.000) 8.796 9.878 ( 0.000 1.697 -0.000) 1.697 10.306 ( -0.000 -5.498 0.000) 5.498 10.323 ( 0.000 1.066 -0.000) 1.066 10.661 ( 0.000 10.304 -0.000) 10.304 10.690 ( 0.000 10.025 -0.000) 10.025 10.844 ( 0.000 14.516 -0.000) 14.516 10.846 ( 0.000 16.624 -0.000) 16.624 11.087 ( 0.000 1.408 -0.000) 1.408 11.227 ( 0.000 18.906 -0.000) 18.906 11.521 ( 0.000 8.436 -0.000) 8.436 11.547 ( 0.000 14.919 -0.000) 14.919 11.733 ( 0.000 10.827 -0.000) 10.827 11.768 ( 0.000 11.080 -0.000) 11.080 11.889 ( -0.000 -2.884 0.000) 2.884 12.194 ( 0.000 10.765 -0.000) 10.765 12.220 ( 0.000 14.336 -0.000) 14.336 12.297 ( 0.000 23.514 -0.000) 23.514 12.458 ( -0.000 -3.933 0.000) 3.933 12.458 ( 0.000 11.594 -0.000) 11.594 12.881 ( 0.000 2.604 -0.000) 2.604 12.887 ( 0.000 0.719 -0.000) 0.719 13.335 ( 0.000 7.518 -0.000) 7.518 13.530 ( 0.000 12.126 -0.000) 12.126 13.831 ( -0.000 -5.390 0.000) 5.390 14.123 ( -0.000 -5.419 0.000) 5.419 14.130 ( -0.000 -4.043 0.000) 4.043 14.577 ( 0.000 1.006 -0.000) 1.006 14.660 ( -0.000 -14.282 0.000) 14.282 14.715 ( -0.000 -8.586 0.000) 8.586 14.828 ( -0.000 -0.518 0.000) 0.518 14.899 ( -0.000 -0.629 0.000) 0.629 14.977 ( -0.000 -7.908 0.000) 7.908 15.165 ( -0.000 -8.297 0.000) 8.297 15.267 ( -0.000 -8.576 0.000) 8.576 15.589 ( 0.000 1.517 -0.000) 1.517 15.606 ( -0.000 -8.777 0.000) 8.777 15.825 ( -0.000 -8.473 0.000) 8.473 15.937 ( 0.000 11.436 -0.000) 11.436 16.011 ( 0.000 4.558 -0.000) 4.558 16.036 ( 0.000 6.334 -0.000) 6.334 16.627 ( -0.000 -9.495 0.000) 9.495 16.687 ( 0.000 0.981 -0.000) 0.981 16.739 ( -0.000 -13.169 0.000) 13.169 16.772 ( 0.000 4.449 -0.000) 4.449 16.968 ( -0.000 -7.733 0.000) 7.733 17.083 ( -0.000 -4.557 0.000) 4.557 17.245 ( -0.000 -4.235 0.000) 4.235 17.448 ( -0.000 -8.262 0.000) 8.262 17.709 ( -0.000 -22.039 0.000) 22.039 17.749 ( -0.000 -4.255 0.000) 4.255 17.783 ( -0.000 -18.058 0.000) 18.058 18.018 ( 0.000 1.928 -0.000) 1.928 18.106 ( -0.000 -6.791 0.000) 6.791 18.108 ( 0.000 6.729 -0.000) 6.729 18.382 ( 0.000 2.900 -0.000) 2.900 18.412 ( -0.000 -6.426 0.000) 6.426 18.567 ( 0.000 1.495 -0.000) 1.495 18.947 ( 0.000 2.875 -0.000) 2.875 18.999 ( 0.000 1.690 -0.000) 1.690 19.052 ( 0.000 0.036 -0.000) 0.036 19.092 ( 0.000 16.618 -0.000) 16.618 19.280 ( -0.000 -10.165 0.000) 10.165 19.338 ( -0.000 -1.451 0.000) 1.451 19.715 ( -0.000 -2.570 0.000) 2.570 19.804 ( -0.000 -3.624 0.000) 3.624 19.958 ( -0.000 -5.428 0.000) 5.428 19.982 ( -0.000 -0.423 0.000) 0.423 20.082 ( -0.000 -0.124 0.000) 0.124 20.173 ( -0.000 -8.982 0.000) 8.982 20.560 ( 0.000 12.968 -0.000) 12.968 20.705 ( -0.000 -1.748 0.000) 1.748 20.837 ( 0.000 5.536 -0.000) 5.536 22.272 ( -0.000 -12.011 0.000) 12.011 22.274 ( -0.000 -7.318 0.000) 7.318 22.714 ( 0.000 2.003 -0.000) 2.003 22.975 ( 0.000 2.854 -0.000) 2.854 23.193 ( 0.000 2.688 -0.000) 2.688 23.298 ( 0.000 3.586 -0.000) 3.586 23.346 ( 0.000 11.347 -0.000) 11.347 23.401 ( 0.000 2.270 -0.000) 2.270 23.955 ( 0.000 2.971 -0.000) 2.971 24.047 ( 0.000 1.915 -0.000) 1.915 24.236 ( 0.000 6.164 -0.000) 6.164 24.685 ( -0.000 -0.640 0.000) 0.640 25.146 ( 0.000 3.181 -0.000) 3.181 25.888 ( 0.000 7.105 -0.000) 7.105 26.802 ( -0.000 -8.297 0.000) 8.297 27.167 ( -0.000 -7.334 0.000) 7.334 ======================= Grid point 20 (14/95) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 58.913 -0.000 -17.602) 61.487 3.396 ( 32.890 -0.000 -3.018) 33.028 4.061 ( 38.058 -0.000 -10.550) 39.493 4.840 ( 18.944 -0.000 -23.194) 29.947 5.071 ( 10.017 -0.000 39.760) 41.003 5.418 ( 71.200 -0.000 35.601) 79.604 6.231 ( 4.309 -0.000 -5.243) 6.786 6.421 ( 11.178 -0.000 -6.567) 12.964 6.474 ( -6.671 0.000 -10.080) 12.087 6.706 ( 0.162 -0.000 5.490) 5.492 6.764 ( -4.596 0.000 -7.696) 8.964 6.977 ( -0.616 0.000 -4.066) 4.113 7.030 ( 12.077 -0.000 14.594) 18.943 7.458 ( 4.378 -0.000 7.610) 8.780 7.462 ( 9.620 -0.000 -0.999) 9.672 7.622 ( -6.644 0.000 -2.662) 7.158 7.745 ( -4.033 0.000 -0.001) 4.033 7.913 ( 4.869 -0.000 -3.473) 5.980 7.963 ( -4.720 0.000 -6.690) 8.188 8.227 ( 20.853 -0.000 -12.973) 24.559 8.283 ( 0.650 -0.000 5.159) 5.200 8.584 ( 0.314 -0.000 -7.429) 7.435 8.904 ( 10.293 -0.000 -4.663) 11.300 8.937 ( 0.928 -0.000 -4.125) 4.228 9.044 ( 9.471 -0.000 -2.910) 9.909 9.091 ( 9.444 -0.000 1.213) 9.521 9.294 ( -5.633 0.000 -12.440) 13.656 9.433 ( 7.533 -0.000 1.111) 7.615 9.753 ( 3.763 -0.000 7.937) 8.784 9.761 ( -2.302 0.000 8.678) 8.978 9.874 ( -5.403 0.000 5.183) 7.487 10.021 ( 4.967 -0.000 -5.269) 7.241 10.152 ( -2.568 0.000 -4.424) 5.115 10.368 ( 6.195 -0.000 3.419) 7.075 10.684 ( 10.172 -0.000 16.279) 19.196 10.779 ( 6.664 -0.000 2.945) 7.286 10.909 ( -3.852 0.000 1.139) 4.017 10.972 ( -3.020 0.000 2.971) 4.236 11.090 ( 8.122 -0.000 16.483) 18.375 11.147 ( 5.561 -0.000 7.226) 9.118 11.751 ( 19.491 -0.000 -9.970) 21.893 11.804 ( 4.827 -0.000 -2.644) 5.504 11.831 ( -1.955 0.000 -5.414) 5.756 11.971 ( 6.484 -0.000 5.222) 8.325 12.087 ( 9.381 -0.000 -4.441) 10.379 12.131 ( 2.897 -0.000 0.155) 2.901 12.292 ( 25.276 -0.000 11.176) 27.637 12.392 ( 15.271 -0.000 -1.406) 15.335 12.409 ( 11.603 -0.000 -11.350) 16.231 12.691 ( 18.030 -0.000 -0.361) 18.033 12.834 ( -6.763 0.000 0.605) 6.790 13.206 ( 20.032 -0.000 1.527) 20.090 13.248 ( -5.623 0.000 -17.081) 17.982 13.527 ( 12.961 -0.000 1.420) 13.038 13.581 ( 7.221 -0.000 -11.980) 13.988 13.774 ( -1.794 0.000 -8.193) 8.387 13.838 ( 10.961 -0.000 -1.021) 11.008 14.006 ( -3.460 0.000 -1.530) 3.783 14.167 ( -11.921 0.000 0.194) 11.922 14.273 ( -8.955 0.000 9.160) 12.811 14.341 ( -8.815 0.000 14.529) 16.994 14.656 ( 0.241 -0.000 -1.787) 1.803 14.692 ( -8.920 0.000 -12.085) 15.021 15.064 ( -6.225 0.000 7.839) 10.010 15.268 ( -1.262 0.000 -4.554) 4.726 15.331 ( -6.092 0.000 -0.829) 6.148 15.444 ( -3.333 0.000 10.000) 10.541 15.461 ( -0.609 0.000 0.223) 0.649 15.681 ( -2.282 0.000 -1.371) 2.663 15.835 ( -13.236 0.000 15.365) 20.280 15.836 ( -22.074 0.000 -15.250) 26.830 16.198 ( -12.936 0.000 -9.794) 16.226 16.259 ( 1.210 -0.000 -2.429) 2.714 16.466 ( -10.940 0.000 -3.720) 11.555 16.795 ( -24.421 0.000 17.221) 29.882 16.840 ( -5.063 0.000 15.862) 16.650 16.858 ( -6.262 0.000 -5.560) 8.374 17.199 ( -7.669 0.000 -1.970) 7.918 17.228 ( -12.430 0.000 2.296) 12.641 17.259 ( -8.536 0.000 1.558) 8.677 17.425 ( 1.799 -0.000 0.499) 1.867 17.799 ( -7.831 0.000 -15.777) 17.613 17.806 ( 0.453 -0.000 2.708) 2.746 17.864 ( -0.605 0.000 -5.724) 5.756 17.886 ( -18.722 0.000 4.187) 19.184 18.209 ( 7.952 -0.000 2.628) 8.375 18.358 ( -6.372 0.000 -7.198) 9.613 18.359 ( 14.959 -0.000 3.630) 15.393 18.433 ( 2.534 -0.000 1.926) 3.183 18.714 ( 3.202 -0.000 -2.387) 3.994 18.751 ( 6.262 -0.000 -2.391) 6.703 18.887 ( -10.137 0.000 3.998) 10.897 19.212 ( -9.213 0.000 -3.882) 9.997 19.270 ( 3.114 -0.000 -2.961) 4.297 19.428 ( -4.039 0.000 5.348) 6.702 19.494 ( 4.027 -0.000 -3.152) 5.113 19.757 ( 1.054 -0.000 2.809) 3.000 19.780 ( -0.435 0.000 -2.834) 2.867 19.913 ( -4.431 0.000 -0.728) 4.491 20.008 ( -1.901 0.000 4.548) 4.929 20.247 ( 4.019 -0.000 3.423) 5.279 20.300 ( -1.329 0.000 0.153) 1.338 21.191 ( 13.499 -0.000 1.071) 13.541 21.482 ( 0.054 -0.000 -9.694) 9.695 21.506 ( -3.722 0.000 3.964) 5.438 21.963 ( -13.057 0.000 3.451) 13.505 22.805 ( 8.120 -0.000 1.230) 8.213 22.997 ( 5.018 -0.000 -7.223) 8.795 23.274 ( 0.650 -0.000 2.492) 2.575 23.327 ( 1.244 -0.000 0.908) 1.540 23.513 ( 8.170 -0.000 10.837) 13.572 23.803 ( -0.596 0.000 -7.548) 7.572 23.864 ( -2.482 0.000 -9.713) 10.026 23.907 ( 11.678 -0.000 0.481) 11.688 24.563 ( -6.113 0.000 3.205) 6.902 24.566 ( -0.423 0.000 -0.952) 1.042 25.437 ( 9.727 -0.000 12.277) 15.663 26.040 ( 9.907 -0.000 -6.489) 11.843 26.467 ( -11.740 0.000 -1.728) 11.867 27.042 ( -12.363 0.000 1.952) 12.516 ======================= Grid point 21 (15/95) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.836 ( 35.327 -3.700 -7.107) 36.224 3.955 ( 51.888 -9.083 -12.285) 54.091 4.656 ( 49.000 7.615 10.040) 50.595 4.895 ( 13.224 7.544 -14.667) 21.140 5.434 ( 14.892 2.036 26.868) 30.787 5.923 ( 16.799 28.492 -6.945) 33.797 6.196 ( -0.580 15.822 -8.239) 17.848 6.450 ( 0.580 2.897 -7.314) 7.888 6.623 ( 5.067 23.293 -0.499) 23.843 6.716 ( 26.251 -5.880 5.423) 27.443 6.770 ( -10.786 20.146 1.898) 22.930 6.963 ( 35.427 -8.518 21.181) 42.146 7.087 ( 0.025 10.203 4.813) 11.281 7.483 ( 7.114 1.959 -1.445) 7.519 7.547 ( 20.852 12.220 15.190) 28.546 7.660 ( 7.765 3.833 -1.754) 8.835 7.714 ( 7.833 1.780 -1.131) 8.112 7.870 ( 6.742 3.193 -5.612) 9.335 8.062 ( 8.512 -6.763 1.060) 10.923 8.321 ( 1.976 1.237 5.045) 5.557 8.491 ( 10.300 -6.036 -8.013) 14.378 8.612 ( 8.639 -2.898 -7.982) 12.114 8.811 ( 1.509 2.391 -13.880) 14.165 8.959 ( 10.497 7.202 -4.776) 13.597 9.129 ( -6.790 -4.243 -15.313) 17.280 9.289 ( 8.447 -6.043 -3.440) 10.941 9.401 ( -1.328 3.773 7.027) 8.086 9.616 ( 0.965 -18.124 3.116) 18.415 9.694 ( 3.410 0.364 0.409) 3.454 9.736 ( -6.803 -1.367 2.833) 7.495 9.901 ( 6.097 4.748 2.641) 8.166 10.153 ( -0.104 -6.015 3.767) 7.098 10.188 ( 7.387 -7.385 -6.171) 12.132 10.385 ( -2.151 -5.210 -1.410) 5.810 10.747 ( 0.518 2.251 6.137) 6.558 10.802 ( -11.994 -2.452 -2.731) 12.543 10.921 ( 2.221 -5.794 3.596) 7.172 11.094 ( 8.291 -6.352 4.527) 11.384 11.291 ( 4.032 -5.504 8.725) 11.076 11.395 ( 6.419 -10.644 9.751) 15.798 11.668 ( -1.228 9.609 -8.732) 13.041 11.770 ( 4.127 3.861 0.073) 5.652 12.017 ( 13.415 -5.595 -4.502) 15.216 12.117 ( 10.819 4.864 7.140) 13.845 12.222 ( 8.528 -0.690 -0.370) 8.564 12.282 ( 0.351 -15.041 4.944) 15.837 12.504 ( 3.458 0.728 5.590) 6.613 12.556 ( 8.835 -6.695 -6.234) 12.718 12.673 ( 9.925 -0.500 -4.152) 10.771 12.862 ( 11.175 -0.987 4.329) 12.025 12.970 ( 8.912 1.467 2.246) 9.307 13.074 ( 10.387 -1.948 1.209) 10.637 13.459 ( 1.216 -9.765 -8.949) 13.301 13.609 ( 3.275 -1.818 0.452) 3.773 13.696 ( -0.852 6.161 1.439) 6.384 13.747 ( 2.798 -5.886 -5.416) 8.474 13.834 ( 7.643 5.229 -11.729) 14.944 13.956 ( -9.669 0.596 -4.586) 10.718 14.050 ( -0.918 -0.568 4.530) 4.656 14.237 ( -5.303 -10.379 2.535) 11.928 14.322 ( 2.258 10.204 5.488) 11.804 14.543 ( 0.156 3.217 -2.924) 4.350 14.731 ( 1.041 -5.087 -3.670) 6.359 14.988 ( -17.931 4.876 -8.108) 20.274 15.016 ( -4.258 5.569 -0.407) 7.022 15.243 ( -8.990 0.672 0.687) 9.041 15.334 ( -6.812 7.191 2.765) 10.284 15.480 ( -3.892 -2.426 -3.180) 5.581 15.525 ( -6.654 -1.789 0.124) 6.892 15.642 ( -10.292 3.502 -3.982) 11.578 15.693 ( -7.709 -0.664 5.633) 9.571 16.068 ( -2.763 4.158 1.875) 5.333 16.129 ( -17.776 -4.376 9.229) 20.501 16.268 ( -16.656 6.798 0.167) 17.991 16.494 ( -19.069 -2.225 2.924) 19.420 16.608 ( -13.086 7.963 -3.364) 15.683 16.759 ( -9.546 0.245 5.725) 11.134 16.892 ( -3.003 14.283 0.271) 14.598 17.141 ( -9.473 -0.729 -3.556) 10.144 17.302 ( -4.970 5.567 -0.687) 7.494 17.333 ( -6.220 -8.668 1.081) 10.723 17.638 ( -13.510 -2.736 7.035) 15.476 17.771 ( -7.987 -8.428 -6.480) 13.297 17.843 ( 0.518 0.695 4.271) 4.358 17.935 ( 8.133 -4.183 -4.532) 10.207 18.226 ( -4.586 -0.992 -6.413) 7.946 18.288 ( 3.642 3.860 -4.517) 6.969 18.438 ( 1.802 -1.802 2.290) 3.426 18.582 ( 8.109 1.432 4.690) 9.476 18.747 ( 8.512 2.964 -4.639) 10.138 18.841 ( -1.223 -2.397 3.329) 4.280 18.923 ( 6.988 -5.462 -0.519) 8.885 19.104 ( -2.810 0.614 -1.047) 3.061 19.243 ( -0.529 2.591 1.423) 3.003 19.471 ( 4.415 -3.458 0.472) 5.628 19.540 ( -0.703 -4.467 -1.705) 4.833 19.720 ( -1.464 3.586 -1.196) 4.053 19.799 ( 1.201 -0.898 -3.897) 4.176 19.872 ( -2.744 -2.534 1.609) 4.067 20.026 ( 0.001 -1.613 7.046) 7.228 20.246 ( -0.866 5.256 1.263) 5.474 20.300 ( 1.029 2.154 2.850) 3.718 21.321 ( 11.742 9.299 -0.554) 14.989 21.361 ( -0.587 3.285 0.915) 3.460 21.424 ( -12.761 -1.499 -3.226) 13.248 21.960 ( -8.117 -14.891 -0.332) 16.963 22.879 ( 10.027 6.759 -0.618) 12.108 23.111 ( 7.355 -5.174 -4.378) 10.001 23.290 ( 0.098 0.425 2.919) 2.952 23.376 ( -0.003 -5.028 0.920) 5.112 23.543 ( -1.888 7.194 4.618) 8.755 23.747 ( 2.101 2.365 -3.599) 4.792 23.824 ( 0.822 -1.884 -7.053) 7.346 24.112 ( 11.425 -3.026 2.546) 12.090 24.448 ( -6.677 0.359 -0.898) 6.747 24.600 ( -4.065 -4.910 2.342) 6.791 25.550 ( 9.174 10.761 8.640) 16.571 26.158 ( 7.253 -3.860 -7.582) 11.180 26.347 ( -8.304 -4.227 1.118) 9.385 26.869 ( -10.499 1.763 0.416) 10.654 ======================= Grid point 22 (16/95) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.329 ( 23.896 1.685 -2.447) 24.080 4.671 ( 28.577 -7.195 -0.860) 29.482 4.922 ( 23.232 6.602 -3.411) 24.391 5.263 ( 42.188 8.819 7.674) 43.778 5.529 ( 28.078 30.758 -12.823) 43.576 5.629 ( 12.232 27.175 -5.788) 30.358 6.116 ( -15.168 31.692 7.564) 35.940 6.140 ( -0.884 18.600 7.714) 20.155 6.293 ( 15.223 9.001 -1.134) 17.722 6.512 ( 17.516 15.008 -1.797) 23.136 6.751 ( 11.250 20.340 0.801) 23.258 7.036 ( 5.379 7.744 4.911) 10.631 7.284 ( 16.846 13.669 0.990) 21.716 7.495 ( 3.228 11.866 -7.485) 14.396 7.708 ( 16.256 10.297 8.916) 21.208 7.807 ( 14.148 6.118 1.434) 15.481 7.945 ( 6.715 1.336 -3.602) 7.736 8.164 ( 14.252 -7.852 11.899) 20.159 8.297 ( 9.276 6.240 3.071) 11.594 8.470 ( 19.405 -12.518 14.106) 27.060 8.588 ( -6.735 -11.728 -10.250) 16.970 8.687 ( 4.680 -1.131 1.612) 5.078 8.818 ( 3.877 6.933 -21.668) 23.078 8.967 ( 6.420 3.531 -2.723) 7.817 9.034 ( -0.729 -0.524 -4.098) 4.196 9.274 ( 1.974 7.967 5.296) 9.768 9.439 ( 4.156 -4.308 -3.938) 7.165 9.541 ( -6.823 8.370 0.968) 10.842 9.693 ( 1.743 2.536 -0.157) 3.081 9.841 ( -3.456 -8.074 -1.634) 8.933 9.989 ( 3.032 -4.307 2.091) 5.667 10.085 ( -6.403 2.900 1.152) 7.123 10.342 ( 2.265 -5.413 -5.401) 7.975 10.558 ( 1.855 -8.201 3.939) 9.285 10.724 ( -3.352 -9.968 -0.333) 10.522 10.877 ( -0.361 -12.199 3.004) 12.569 10.948 ( -3.425 8.644 -6.680) 11.449 11.064 ( -7.166 -5.884 4.903) 10.488 11.490 ( -6.178 1.726 -5.613) 8.523 11.557 ( 8.277 0.057 11.947) 14.534 11.732 ( 4.854 -17.447 -1.413) 18.165 11.815 ( 6.754 -0.369 0.716) 6.802 12.105 ( 5.240 8.935 -4.087) 11.135 12.189 ( -2.101 4.181 2.877) 5.493 12.353 ( 0.360 0.362 5.286) 5.310 12.462 ( 2.582 -2.972 8.129) 9.032 12.484 ( 4.085 -1.066 -2.428) 4.870 12.712 ( 2.915 3.684 0.296) 4.707 12.776 ( -1.149 -10.377 4.775) 11.481 13.008 ( 8.706 -3.980 -3.296) 10.124 13.018 ( -3.095 -5.166 1.126) 6.127 13.428 ( 11.948 -4.049 -1.404) 12.693 13.462 ( -5.834 -3.759 -9.999) 12.172 13.546 ( -6.080 10.041 -11.940) 16.744 13.624 ( -1.389 2.923 0.970) 3.378 13.691 ( -5.156 0.552 -0.181) 5.188 13.844 ( -0.628 -9.411 6.686) 11.561 14.037 ( 10.554 -3.541 1.093) 11.186 14.086 ( 6.117 -8.152 -8.661) 13.375 14.268 ( 10.193 3.433 -1.386) 10.845 14.349 ( -1.671 -1.970 6.464) 6.961 14.453 ( -4.717 2.429 -0.900) 5.381 14.682 ( -3.719 -0.764 -4.335) 5.763 14.792 ( 4.144 3.592 0.098) 5.485 14.941 ( -10.705 4.153 -3.652) 12.049 15.119 ( -4.082 -1.855 5.313) 6.952 15.135 ( -5.816 3.821 3.538) 7.806 15.388 ( -5.205 2.498 -1.173) 5.891 15.417 ( -10.764 1.477 1.602) 10.983 15.522 ( -4.118 -7.756 0.146) 8.782 15.652 ( -5.802 -5.612 -2.630) 8.490 15.869 ( -13.475 10.474 1.457) 17.129 16.004 ( -5.028 3.811 6.806) 9.281 16.080 ( -13.230 -3.937 5.022) 14.689 16.297 ( -17.637 -6.811 -2.793) 19.112 16.413 ( -1.842 -2.637 1.345) 3.486 16.676 ( -8.303 0.138 6.023) 10.258 16.750 ( 7.616 8.756 -4.537) 12.460 17.003 ( -2.383 5.614 -0.526) 6.121 17.172 ( -2.239 -0.717 -4.431) 5.016 17.373 ( -15.101 -14.291 -5.591) 21.530 17.502 ( -10.604 -1.841 1.647) 10.888 17.754 ( -7.443 -5.787 -4.983) 10.664 17.886 ( 0.514 -3.290 7.084) 7.828 18.006 ( 1.874 2.129 -8.033) 8.519 18.171 ( -0.141 -0.482 -2.956) 2.999 18.271 ( -0.649 3.119 3.445) 4.693 18.509 ( 2.006 -1.610 2.975) 3.933 18.664 ( 10.400 4.916 -0.955) 11.543 18.769 ( 2.479 0.655 -8.047) 8.445 18.846 ( -1.244 2.542 3.725) 4.678 19.073 ( 4.140 -4.823 0.101) 6.357 19.091 ( 2.314 1.090 3.046) 3.978 19.304 ( 5.136 -2.154 8.341) 10.030 19.540 ( -1.606 -1.553 0.026) 2.234 19.612 ( 2.575 -4.629 -5.141) 7.382 19.637 ( -0.397 5.584 0.899) 5.670 19.796 ( 0.153 -2.585 -3.656) 4.480 19.943 ( 1.765 -5.130 6.229) 8.260 20.109 ( 4.821 0.154 1.033) 4.932 20.161 ( 0.127 3.878 1.516) 4.166 20.222 ( -4.635 5.931 1.291) 7.637 21.226 ( -5.557 3.355 -6.169) 8.955 21.324 ( 1.388 2.569 1.174) 3.147 21.372 ( 0.342 0.589 3.085) 3.159 22.033 ( -9.531 -13.029 -4.036) 16.639 22.922 ( 10.270 7.180 -0.516) 12.542 23.232 ( 5.181 -0.801 -4.029) 6.612 23.301 ( 0.892 1.232 3.638) 3.943 23.421 ( -4.057 2.322 -1.035) 4.788 23.437 ( 0.225 -3.124 0.257) 3.143 23.726 ( 0.432 1.963 -0.541) 2.082 23.897 ( 7.467 -0.988 1.133) 7.617 24.282 ( 4.738 -1.075 -1.801) 5.181 24.387 ( -6.395 -7.132 1.770) 9.742 24.585 ( -7.045 -2.337 1.897) 7.661 25.501 ( 8.515 14.823 2.794) 17.321 26.260 ( 3.023 -3.124 -5.297) 6.853 26.351 ( -4.263 -6.548 1.881) 8.037 26.725 ( -6.653 1.011 0.563) 6.753 ======================= Grid point 23 (17/95) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.194 ( -6.156 22.896 -0.305) 23.711 4.803 ( 11.311 30.139 1.005) 32.207 5.082 ( -5.407 26.399 -2.321) 27.047 5.172 ( 5.812 35.584 -3.834) 36.259 5.394 ( 18.085 13.838 -4.765) 23.265 5.727 ( 33.167 9.578 1.209) 34.543 5.979 ( 25.558 12.418 1.066) 28.435 6.116 ( 34.823 -5.964 5.364) 35.735 6.484 ( 14.621 17.548 -11.137) 25.411 6.611 ( 17.750 1.453 11.356) 21.122 6.738 ( 22.856 15.451 6.303) 28.299 7.005 ( 8.173 13.986 5.761) 17.193 7.319 ( 1.428 11.573 -7.153) 13.680 7.329 ( 16.844 12.512 -0.197) 20.984 7.729 ( 5.217 9.941 0.198) 11.228 7.861 ( 6.260 16.407 -1.431) 17.619 7.918 ( -1.318 9.615 2.793) 10.098 8.173 ( -11.095 23.509 -6.082) 26.697 8.238 ( 3.763 8.173 -1.722) 9.161 8.386 ( 9.359 12.036 4.715) 15.959 8.540 ( -8.908 0.498 -6.062) 10.787 8.644 ( -9.544 -3.134 -10.478) 14.516 8.853 ( 6.850 -7.667 2.530) 10.588 8.979 ( -10.080 -5.382 4.261) 12.195 9.275 ( 5.662 5.300 4.680) 9.058 9.355 ( 17.939 1.417 3.516) 18.336 9.396 ( 2.099 5.709 0.107) 6.083 9.545 ( 3.668 -8.912 3.726) 10.333 9.750 ( 0.017 -1.691 -0.957) 1.943 9.792 ( -6.445 -1.533 -0.139) 6.626 9.962 ( -0.372 2.950 -5.826) 6.541 10.084 ( -0.796 -3.645 1.862) 4.170 10.426 ( 2.575 -2.303 -5.996) 6.920 10.584 ( -4.844 8.274 5.123) 10.871 10.757 ( -5.983 -3.477 -4.699) 8.365 10.886 ( -11.642 -0.181 0.774) 11.669 10.955 ( -2.935 -9.867 9.329) 13.893 11.144 ( -1.122 -9.792 6.844) 11.999 11.297 ( -9.110 4.189 10.476) 14.502 11.549 ( -6.389 14.929 -0.120) 16.239 11.741 ( -5.065 -2.171 -13.546) 14.624 11.927 ( 4.527 5.789 -2.010) 7.619 11.989 ( -3.255 7.649 -1.520) 8.450 12.056 ( -4.194 5.127 -2.423) 7.053 12.280 ( -14.418 4.408 -0.561) 15.087 12.433 ( -0.052 -2.248 3.485) 4.147 12.589 ( 3.475 3.727 2.566) 5.705 12.668 ( 1.455 1.348 -2.100) 2.889 12.821 ( 2.145 4.599 -0.792) 5.136 12.852 ( -8.969 3.006 -3.353) 10.036 13.118 ( 7.346 3.904 -5.975) 10.242 13.324 ( -7.277 13.263 5.553) 16.115 13.372 ( -1.444 -5.983 -5.790) 8.450 13.596 ( 3.197 -8.161 -11.447) 14.417 13.679 ( 4.795 -2.570 -3.085) 6.254 13.696 ( -3.866 -5.636 5.810) 8.970 14.046 ( 1.736 0.102 5.910) 6.160 14.118 ( -5.478 1.982 -4.426) 7.316 14.172 ( 1.404 -7.928 3.450) 8.759 14.352 ( -0.712 -2.032 0.179) 2.160 14.413 ( 11.089 -4.612 7.769) 14.303 14.497 ( 4.969 -3.379 0.240) 6.014 14.725 ( 0.590 -7.495 3.166) 8.158 14.802 ( 10.699 8.114 -0.100) 13.428 14.961 ( 4.008 -16.610 -9.252) 19.430 15.094 ( 1.291 -1.991 -0.132) 2.377 15.136 ( -0.543 -0.149 0.604) 0.826 15.357 ( -1.581 -3.536 6.338) 7.428 15.409 ( 0.515 -7.608 3.256) 8.292 15.567 ( -16.007 0.547 7.571) 17.715 15.596 ( -0.299 -5.166 7.630) 9.219 15.682 ( -1.197 -0.945 -4.612) 4.858 15.868 ( -13.198 -11.241 -5.699) 18.250 15.971 ( -4.107 -6.785 -0.174) 7.934 16.344 ( -0.195 -11.691 1.527) 11.792 16.506 ( 6.498 -0.273 3.659) 7.462 16.578 ( -9.040 -0.556 6.548) 11.176 16.741 ( 9.034 7.526 -4.143) 12.467 16.986 ( 5.576 0.702 5.337) 7.750 17.111 ( -13.465 -8.137 -17.513) 23.542 17.347 ( -10.451 -12.045 -2.042) 16.077 17.454 ( -3.713 -8.644 -3.557) 10.058 17.701 ( -5.113 -5.138 -6.929) 10.028 17.877 ( -5.134 7.227 -6.643) 11.077 18.019 ( -3.340 -8.546 6.534) 11.265 18.128 ( -0.528 0.330 -3.212) 3.271 18.219 ( -1.864 2.624 1.428) 3.521 18.515 ( -1.364 4.243 2.274) 5.003 18.711 ( 5.674 7.315 2.342) 9.549 18.740 ( 1.059 4.387 0.936) 4.609 18.838 ( 1.081 -3.819 0.566) 4.010 19.138 ( 2.663 0.849 5.940) 6.564 19.203 ( 5.489 -2.282 -0.890) 6.011 19.393 ( 2.094 2.250 -0.387) 3.098 19.523 ( -0.076 4.252 4.648) 6.300 19.593 ( 1.528 -1.071 6.615) 6.873 19.669 ( 0.252 -3.732 -2.851) 4.703 19.825 ( 0.870 -0.118 -1.339) 1.601 20.004 ( -5.509 5.786 -3.980) 8.925 20.092 ( 1.807 1.213 -1.252) 2.511 20.137 ( 4.546 -4.795 2.330) 7.007 20.236 ( 3.767 -1.338 2.070) 4.502 21.106 ( -4.961 -0.892 -6.435) 8.174 21.285 ( 4.163 10.489 2.617) 11.585 21.427 ( -1.076 -7.930 2.721) 8.453 22.022 ( -11.053 -10.124 -5.642) 16.016 22.933 ( 6.283 8.509 1.297) 10.656 23.257 ( -1.602 1.189 2.207) 2.975 23.312 ( 6.397 0.572 -4.452) 7.815 23.362 ( -1.902 1.024 -3.818) 4.386 23.477 ( 4.466 4.277 3.994) 7.361 23.748 ( 1.804 -4.863 -0.745) 5.240 23.984 ( 0.668 2.062 5.250) 5.680 24.255 ( -4.039 0.135 -1.884) 4.459 24.466 ( -0.360 -4.876 2.572) 5.524 24.512 ( -7.176 -3.487 -1.493) 8.117 25.447 ( 10.339 12.619 0.230) 16.315 26.284 ( 0.522 -0.797 -4.682) 4.778 26.364 ( -7.003 -3.842 2.970) 8.522 26.696 ( -0.527 -4.111 0.317) 4.157 ======================= Grid point 24 (18/95) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.742 ( -2.127 31.363 0.405) 31.438 4.215 ( -12.259 47.016 4.127) 48.763 4.511 ( 9.655 40.233 18.300) 45.241 4.807 ( -0.618 23.489 -29.044) 37.359 5.447 ( 11.222 6.975 1.608) 13.310 5.947 ( -1.606 25.605 -7.529) 26.738 6.176 ( 5.487 30.954 -0.332) 31.439 6.263 ( 16.906 4.994 7.108) 19.008 6.552 ( 14.908 18.867 -4.288) 24.425 6.763 ( 26.222 -4.911 6.207) 27.391 6.954 ( 12.405 11.710 10.972) 20.283 7.014 ( 19.454 1.852 -1.225) 19.581 7.267 ( 8.656 0.161 0.679) 8.684 7.415 ( 10.690 1.733 -7.173) 12.990 7.529 ( 8.285 15.069 4.534) 17.784 7.618 ( -4.215 4.292 -6.844) 9.112 7.748 ( 3.550 13.006 3.611) 13.957 8.004 ( -1.937 5.482 8.070) 9.946 8.135 ( -1.802 7.939 -8.354) 11.665 8.302 ( -6.220 6.471 1.432) 9.089 8.342 ( -5.087 9.320 -1.833) 10.775 8.521 ( -9.581 -4.572 -6.396) 12.394 8.955 ( -1.542 -4.498 -1.843) 5.100 9.117 ( 8.513 -5.878 4.406) 11.244 9.271 ( -2.676 4.110 4.205) 6.461 9.287 ( 0.236 5.983 -3.039) 6.715 9.345 ( -0.060 6.082 -1.609) 6.291 9.519 ( -5.337 10.558 7.893) 14.221 9.726 ( -6.664 3.805 -1.819) 7.886 9.829 ( -12.153 1.519 4.076) 12.908 9.954 ( 13.551 3.690 -5.884) 15.227 10.178 ( 10.715 0.497 1.234) 10.797 10.319 ( -7.898 0.722 -0.811) 7.973 10.438 ( -1.319 13.040 14.949) 19.881 10.602 ( -6.364 9.275 -7.393) 13.461 10.724 ( -9.360 -3.738 -2.384) 10.357 10.810 ( -19.994 7.372 -2.408) 21.445 11.034 ( -5.524 5.241 -4.186) 8.690 11.222 ( -5.195 0.441 7.266) 8.943 11.484 ( -5.062 0.887 10.866) 12.020 11.575 ( -0.837 6.396 -12.831) 14.362 11.687 ( -2.248 4.448 -12.559) 13.512 11.823 ( -0.720 4.677 -2.072) 5.166 12.037 ( 0.635 1.703 1.060) 2.104 12.100 ( -18.880 -4.352 2.963) 19.600 12.470 ( 4.592 6.084 -3.209) 8.271 12.597 ( -6.037 10.279 2.962) 12.283 12.628 ( 7.795 12.223 -4.137) 15.075 12.707 ( 0.339 9.679 8.431) 12.840 12.768 ( 2.788 1.043 3.945) 4.942 13.086 ( 3.244 5.928 -0.858) 6.812 13.149 ( 5.450 9.906 1.058) 11.356 13.393 ( -0.142 -3.295 -2.167) 3.946 13.529 ( -5.278 18.028 0.914) 18.807 13.656 ( -2.616 -9.840 -4.212) 11.019 13.781 ( 3.880 -2.530 1.337) 4.821 14.023 ( 0.901 -3.599 -4.979) 6.209 14.092 ( -2.189 0.692 1.547) 2.768 14.306 ( -2.232 3.114 3.210) 4.998 14.411 ( 3.971 -7.750 -2.023) 8.940 14.575 ( 1.027 -3.042 0.820) 3.314 14.684 ( 6.492 3.081 -0.740) 7.224 14.760 ( 2.735 0.745 7.204) 7.741 14.905 ( -0.293 -4.609 -3.576) 5.841 14.959 ( -4.439 -7.957 -3.725) 9.844 15.075 ( -2.582 0.519 -0.791) 2.750 15.253 ( -2.428 0.894 1.375) 2.930 15.370 ( 1.829 -8.242 -0.347) 8.450 15.527 ( 1.632 -3.419 2.170) 4.366 15.681 ( -0.530 -9.976 10.629) 14.587 15.740 ( 6.297 -26.596 -8.689) 28.679 15.893 ( -2.055 -12.001 -0.119) 12.176 15.943 ( 5.712 -17.862 11.318) 21.904 16.199 ( 6.149 -17.862 -2.644) 19.075 16.528 ( -4.981 -5.953 4.290) 8.868 16.535 ( 0.534 -12.723 -0.983) 12.772 16.666 ( 16.034 0.466 5.964) 17.113 16.766 ( 6.593 3.658 0.041) 7.540 16.949 ( -15.273 -13.625 -15.966) 25.958 17.107 ( 5.977 1.179 6.950) 9.243 17.265 ( -14.371 -5.980 -8.773) 17.868 17.563 ( -12.218 9.948 -9.014) 18.152 17.639 ( 1.600 -12.446 1.038) 12.591 17.768 ( 0.763 -14.117 -2.603) 14.375 18.012 ( -1.977 1.929 -3.431) 4.405 18.158 ( -0.964 3.050 0.799) 3.297 18.264 ( -2.586 -15.499 5.109) 16.523 18.388 ( -1.670 8.502 -1.020) 8.724 18.667 ( 0.040 6.049 3.371) 6.925 18.727 ( 1.762 1.011 3.698) 4.220 18.928 ( 1.290 -4.351 0.515) 4.567 19.129 ( -0.300 4.450 1.414) 4.679 19.253 ( 4.316 4.457 -2.009) 6.521 19.356 ( 0.501 5.245 -0.138) 5.271 19.505 ( 1.526 0.523 3.239) 3.619 19.676 ( -0.497 -0.931 0.789) 1.318 19.735 ( 1.717 -3.409 11.652) 12.261 19.823 ( -2.044 4.734 0.092) 5.158 19.837 ( -1.227 -2.120 -6.706) 7.140 20.079 ( 1.570 1.094 -6.253) 6.539 20.210 ( 0.010 2.990 0.833) 3.104 20.379 ( 5.467 -8.864 1.028) 10.465 21.037 ( -2.672 1.064 -2.850) 4.049 21.176 ( 2.443 12.794 0.602) 13.039 21.588 ( 1.419 -13.334 2.011) 13.559 21.994 ( -8.610 -9.583 -3.604) 13.378 22.883 ( 2.211 7.449 1.508) 7.915 23.205 ( -0.879 5.988 4.989) 7.843 23.286 ( -1.361 2.084 -4.825) 5.429 23.395 ( 6.914 0.099 -5.401) 8.774 23.487 ( 2.765 2.931 1.553) 4.318 23.832 ( -2.577 3.808 2.054) 5.036 23.931 ( 0.011 -2.185 5.597) 6.008 24.170 ( -1.937 4.451 -3.272) 5.854 24.475 ( -2.852 -1.006 -3.373) 4.530 24.530 ( -2.342 -6.061 3.755) 7.504 25.412 ( 7.357 11.224 -0.940) 13.453 26.233 ( -0.982 6.250 -0.493) 6.345 26.370 ( -4.258 -9.770 0.121) 10.658 26.793 ( 0.940 -7.848 -0.142) 7.905 ======================= Grid point 25 (19/95) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 0.000 46.313 -0.000) 46.313 3.455 ( 0.000 51.540 -0.000) 51.540 4.326 ( 0.000 14.310 -0.000) 14.310 4.374 ( 0.000 14.356 -0.000) 14.356 4.822 ( 0.000 76.650 -0.000) 76.650 5.454 ( 0.000 15.139 -0.000) 15.139 6.124 ( 0.000 14.798 -0.000) 14.798 6.217 ( -0.000 -0.423 0.000) 0.423 6.613 ( 0.000 7.782 -0.000) 7.782 6.767 ( 0.000 10.941 -0.000) 10.941 7.113 ( -0.000 -1.942 0.000) 1.942 7.128 ( -0.000 -1.914 0.000) 1.914 7.415 ( -0.000 -6.196 0.000) 6.196 7.421 ( -0.000 -1.507 0.000) 1.507 7.532 ( -0.000 -3.114 0.000) 3.114 7.708 ( 0.000 5.082 -0.000) 5.082 7.774 ( 0.000 0.089 -0.000) 0.089 7.872 ( -0.000 -8.167 0.000) 8.167 8.004 ( 0.000 2.697 -0.000) 2.697 8.018 ( 0.000 20.052 -0.000) 20.052 8.249 ( 0.000 7.289 -0.000) 7.289 8.460 ( -0.000 -6.989 0.000) 6.989 8.963 ( 0.000 0.314 -0.000) 0.314 9.077 ( 0.000 15.925 -0.000) 15.925 9.179 ( 0.000 7.046 -0.000) 7.046 9.279 ( 0.000 7.007 -0.000) 7.007 9.381 ( 0.000 3.465 -0.000) 3.465 9.387 ( 0.000 6.115 -0.000) 6.115 9.432 ( -0.000 -3.989 0.000) 3.989 9.660 ( 0.000 4.026 -0.000) 4.026 9.995 ( 0.000 7.224 -0.000) 7.224 10.133 ( 0.000 13.729 -0.000) 13.729 10.229 ( 0.000 18.681 -0.000) 18.681 10.301 ( 0.000 6.072 -0.000) 6.072 10.322 ( 0.000 0.930 -0.000) 0.930 10.700 ( -0.000 -8.683 0.000) 8.683 10.809 ( -0.000 -0.691 0.000) 0.691 10.842 ( 0.000 2.523 -0.000) 2.523 11.293 ( -0.000 -1.725 0.000) 1.725 11.395 ( 0.000 1.933 -0.000) 1.933 11.406 ( 0.000 19.025 -0.000) 19.025 11.594 ( -0.000 -5.113 0.000) 5.113 11.822 ( 0.000 3.745 -0.000) 3.745 11.874 ( 0.000 3.755 -0.000) 3.755 12.007 ( 0.000 9.017 -0.000) 9.017 12.317 ( 0.000 24.041 -0.000) 24.041 12.403 ( 0.000 4.389 -0.000) 4.389 12.519 ( 0.000 3.783 -0.000) 3.783 12.558 ( 0.000 10.434 -0.000) 10.434 12.749 ( 0.000 7.146 -0.000) 7.146 13.017 ( 0.000 17.381 -0.000) 17.381 13.044 ( 0.000 10.663 -0.000) 10.663 13.188 ( 0.000 20.744 -0.000) 20.744 13.515 ( -0.000 -11.284 0.000) 11.284 13.743 ( 0.000 11.854 -0.000) 11.854 13.812 ( -0.000 -0.804 0.000) 0.804 14.017 ( -0.000 -3.833 0.000) 3.833 14.112 ( 0.000 2.884 -0.000) 2.884 14.312 ( -0.000 -4.164 0.000) 4.164 14.377 ( -0.000 -1.470 0.000) 1.470 14.535 ( -0.000 -6.277 0.000) 6.277 14.794 ( -0.000 -6.181 0.000) 6.181 14.823 ( -0.000 -0.215 0.000) 0.215 14.872 ( -0.000 -1.198 0.000) 1.198 15.080 ( -0.000 -2.827 0.000) 2.827 15.093 ( -0.000 -4.486 0.000) 4.486 15.305 ( -0.000 -9.145 0.000) 9.145 15.504 ( -0.000 -10.925 0.000) 10.925 15.573 ( -0.000 -3.184 0.000) 3.184 15.883 ( -0.000 -14.632 0.000) 14.632 15.986 ( -0.000 -8.810 0.000) 8.810 16.178 ( 0.000 1.422 -0.000) 1.422 16.239 ( -0.000 -24.730 0.000) 24.730 16.363 ( -0.000 -6.899 0.000) 6.899 16.684 ( -0.000 -6.561 0.000) 6.561 16.705 ( -0.000 -15.423 0.000) 15.423 16.792 ( -0.000 -6.384 0.000) 6.384 17.017 ( -0.000 -2.913 0.000) 2.913 17.062 ( -0.000 -17.708 0.000) 17.708 17.063 ( -0.000 -1.819 0.000) 1.819 17.143 ( -0.000 -11.836 0.000) 11.836 17.338 ( 0.000 3.136 -0.000) 3.136 17.798 ( -0.000 -10.791 0.000) 10.791 17.916 ( 0.000 6.542 -0.000) 6.542 18.046 ( -0.000 -17.777 0.000) 17.777 18.106 ( 0.000 3.134 -0.000) 3.134 18.274 ( 0.000 4.890 -0.000) 4.890 18.439 ( -0.000 -6.015 0.000) 6.015 18.620 ( 0.000 2.351 -0.000) 2.351 18.774 ( -0.000 -8.025 0.000) 8.025 18.987 ( -0.000 -2.594 0.000) 2.594 19.087 ( 0.000 0.718 -0.000) 0.718 19.228 ( 0.000 0.822 -0.000) 0.822 19.248 ( 0.000 9.595 -0.000) 9.595 19.497 ( 0.000 6.874 -0.000) 6.874 19.655 ( 0.000 0.192 -0.000) 0.192 19.773 ( -0.000 -0.366 0.000) 0.366 19.847 ( -0.000 -2.811 0.000) 2.811 19.867 ( -0.000 -6.484 0.000) 6.484 20.063 ( 0.000 0.935 -0.000) 0.935 20.144 ( 0.000 4.431 -0.000) 4.431 20.554 ( -0.000 -8.667 0.000) 8.667 20.953 ( 0.000 9.338 -0.000) 9.338 21.015 ( 0.000 10.014 -0.000) 10.014 21.836 ( -0.000 -17.120 0.000) 17.120 22.043 ( -0.000 -8.780 0.000) 8.780 22.810 ( 0.000 5.316 -0.000) 5.316 23.109 ( 0.000 7.017 -0.000) 7.017 23.251 ( 0.000 1.046 -0.000) 1.046 23.412 ( 0.000 3.203 -0.000) 3.203 23.477 ( 0.000 2.562 -0.000) 2.562 23.674 ( 0.000 10.277 -0.000) 10.277 24.041 ( -0.000 -3.008 0.000) 3.008 24.061 ( 0.000 4.545 -0.000) 4.545 24.415 ( 0.000 5.068 -0.000) 5.068 24.606 ( -0.000 -5.574 0.000) 5.574 25.314 ( 0.000 9.237 -0.000) 9.237 26.117 ( 0.000 8.313 -0.000) 8.313 26.502 ( -0.000 -12.048 0.000) 12.048 26.920 ( -0.000 -9.207 0.000) 9.207 ======================= Grid point 30 (20/95) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.370 ( 43.904 -0.000 2.855) 43.997 4.438 ( 32.345 -0.000 -14.360) 35.390 5.062 ( 16.319 -0.000 -4.191) 16.848 5.444 ( 44.069 -0.000 14.626) 46.433 5.871 ( 23.578 -0.000 20.548) 31.275 6.328 ( 13.272 -0.000 -14.117) 19.377 6.358 ( 2.086 -0.000 -2.914) 3.583 6.564 ( 13.305 -0.000 -13.575) 19.008 6.800 ( 17.639 -0.000 5.717) 18.542 6.870 ( -3.349 0.000 -1.052) 3.510 6.928 ( 10.694 -0.000 -0.234) 10.696 7.219 ( 1.647 -0.000 10.103) 10.236 7.343 ( -7.526 0.000 -5.459) 9.298 7.541 ( -1.316 0.000 -13.396) 13.461 7.805 ( 44.159 -0.000 21.720) 49.211 7.891 ( 5.015 -0.000 2.152) 5.457 7.965 ( 17.548 -0.000 3.161) 17.831 8.024 ( 16.306 -0.000 -8.207) 18.255 8.193 ( 19.695 -0.000 21.681) 29.291 8.321 ( -10.539 0.000 -7.497) 12.934 8.421 ( 4.237 -0.000 -2.069) 4.716 8.701 ( 0.774 -0.000 -17.650) 17.667 9.006 ( 17.418 -0.000 -4.296) 17.940 9.060 ( 9.965 -0.000 6.924) 12.134 9.238 ( 17.466 -0.000 -11.998) 21.190 9.329 ( 0.028 -0.000 3.690) 3.690 9.349 ( -3.203 0.000 -6.647) 7.379 9.643 ( 3.401 -0.000 12.195) 12.660 9.743 ( 10.350 -0.000 3.483) 10.920 9.759 ( 4.148 -0.000 -1.449) 4.394 9.825 ( -5.845 0.000 7.311) 9.360 10.196 ( -5.859 0.000 -8.004) 9.919 10.213 ( 15.320 -0.000 -4.789) 16.051 10.306 ( 6.654 -0.000 0.356) 6.663 10.611 ( -10.870 0.000 3.691) 11.480 10.797 ( -1.865 0.000 -5.879) 6.168 10.981 ( 4.528 -0.000 -5.963) 7.487 11.132 ( 3.990 -0.000 6.600) 7.713 11.238 ( -2.195 0.000 1.545) 2.684 11.509 ( 10.875 -0.000 14.451) 18.086 11.591 ( -11.103 0.000 -9.746) 14.774 11.892 ( 1.409 -0.000 7.595) 7.725 11.995 ( 0.577 -0.000 -8.951) 8.970 12.289 ( 11.954 -0.000 2.041) 12.127 12.324 ( 10.428 -0.000 10.719) 14.955 12.363 ( 9.105 -0.000 -2.104) 9.345 12.500 ( -6.399 0.000 8.644) 10.755 12.612 ( 5.324 -0.000 -7.364) 9.087 12.782 ( 9.242 -0.000 -5.968) 11.002 12.942 ( -5.777 0.000 -4.287) 7.194 13.168 ( 13.226 -0.000 9.546) 16.311 13.203 ( 0.119 -0.000 1.033) 1.040 13.277 ( 0.247 -0.000 5.601) 5.606 13.643 ( -2.499 0.000 5.758) 6.277 13.711 ( -0.783 0.000 -6.954) 6.998 13.745 ( -12.159 0.000 0.605) 12.174 13.809 ( 11.755 -0.000 -7.698) 14.051 13.901 ( -1.784 0.000 -1.125) 2.109 13.989 ( -3.183 0.000 -4.604) 5.597 14.140 ( 2.872 -0.000 -5.391) 6.109 14.516 ( -1.408 0.000 1.948) 2.404 14.598 ( 6.936 -0.000 12.457) 14.258 14.690 ( -2.438 0.000 -3.394) 4.179 14.830 ( -6.517 0.000 -10.526) 12.380 14.920 ( -8.016 0.000 -10.290) 13.044 15.053 ( -11.656 0.000 -4.011) 12.327 15.247 ( -10.580 0.000 -0.094) 10.580 15.316 ( -16.520 0.000 -0.814) 16.540 15.380 ( -10.921 0.000 2.551) 11.215 15.444 ( -8.973 0.000 0.854) 9.014 15.812 ( -14.098 0.000 2.803) 14.374 15.832 ( 2.025 -0.000 5.640) 5.992 16.049 ( -19.313 0.000 10.888) 22.171 16.170 ( -10.341 0.000 -5.665) 11.791 16.174 ( -0.738 0.000 12.009) 12.031 16.460 ( -21.970 0.000 1.938) 22.055 16.586 ( -8.088 0.000 -9.805) 12.711 16.834 ( -13.734 0.000 2.162) 13.903 17.070 ( -10.059 0.000 3.105) 10.527 17.112 ( -0.492 0.000 -8.354) 8.368 17.393 ( -4.903 0.000 -6.509) 8.149 17.410 ( -8.981 0.000 0.518) 8.996 17.601 ( -5.875 0.000 4.435) 7.361 17.896 ( 3.529 -0.000 6.339) 7.255 18.010 ( 3.561 -0.000 -9.860) 10.484 18.207 ( 8.610 -0.000 0.984) 8.666 18.319 ( -0.357 0.000 -2.504) 2.529 18.449 ( 0.493 -0.000 5.219) 5.242 18.708 ( 5.366 -0.000 -2.648) 5.984 18.797 ( 5.728 -0.000 -3.913) 6.937 18.869 ( 1.089 -0.000 -1.279) 1.679 19.041 ( 9.226 -0.000 -7.269) 11.746 19.167 ( 11.806 -0.000 9.134) 14.927 19.269 ( -0.914 0.000 5.140) 5.221 19.465 ( -3.177 0.000 0.188) 3.182 19.527 ( 8.106 -0.000 -2.839) 8.589 19.708 ( -4.247 0.000 0.196) 4.252 19.786 ( -6.222 0.000 5.102) 8.046 19.791 ( -0.183 0.000 -1.913) 1.922 20.066 ( 3.635 -0.000 7.284) 8.141 20.307 ( 3.285 -0.000 -1.679) 3.689 20.320 ( -3.263 0.000 2.175) 3.921 21.182 ( -15.488 0.000 -5.394) 16.400 21.361 ( -2.781 0.000 1.664) 3.240 21.571 ( 11.201 -0.000 -3.523) 11.742 21.739 ( -6.395 0.000 0.605) 6.423 23.125 ( 8.287 -0.000 -7.298) 11.043 23.138 ( 12.760 -0.000 4.357) 13.484 23.317 ( -0.535 0.000 2.753) 2.805 23.334 ( 0.161 -0.000 0.649) 0.668 23.538 ( -6.245 0.000 -1.218) 6.363 23.638 ( -3.904 0.000 -6.110) 7.250 23.964 ( 8.753 -0.000 3.444) 9.406 24.205 ( 5.218 -0.000 1.932) 5.564 24.342 ( -10.683 0.000 3.982) 11.401 24.512 ( -2.252 0.000 -3.407) 4.084 25.827 ( 9.758 -0.000 9.486) 13.609 26.091 ( -2.213 0.000 -10.890) 11.112 26.281 ( 0.182 -0.000 3.150) 3.155 26.743 ( -8.482 0.000 -0.953) 8.536 ======================= Grid point 31 (21/95) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.572 ( 4.200 5.787 -8.194) 10.876 5.044 ( 37.895 -2.163 7.237) 38.640 5.392 ( 31.589 4.753 -0.663) 31.952 5.970 ( 22.023 12.753 3.371) 25.672 6.100 ( 22.316 15.563 -3.146) 27.388 6.216 ( 10.958 15.438 4.098) 19.370 6.347 ( -2.679 13.841 -2.609) 14.337 6.490 ( 10.977 27.237 2.431) 29.466 6.679 ( 11.756 10.342 1.317) 15.713 6.922 ( 13.249 8.206 -1.704) 15.677 7.138 ( 15.241 5.314 -0.140) 16.142 7.333 ( 17.806 9.756 7.416) 21.615 7.406 ( -0.238 -3.544 -4.980) 6.117 7.553 ( 7.377 -10.863 -6.834) 14.803 7.944 ( 2.376 -0.033 -3.300) 4.067 8.055 ( -2.481 1.688 -4.755) 5.623 8.086 ( 0.508 2.993 3.917) 4.955 8.172 ( -5.927 -2.209 -8.049) 10.237 8.278 ( 8.774 -1.633 8.380) 12.242 8.416 ( 7.840 3.736 -1.254) 8.775 8.644 ( 9.670 0.994 4.432) 10.683 8.749 ( 5.191 -5.387 2.036) 7.753 9.012 ( 12.123 11.990 4.815) 17.717 9.254 ( 5.389 14.520 -5.925) 16.582 9.276 ( 0.933 1.926 -5.765) 6.149 9.372 ( 6.306 -0.857 4.328) 7.697 9.444 ( 12.473 -2.453 -0.158) 12.713 9.567 ( 3.842 4.582 6.041) 8.500 9.760 ( 8.273 1.856 2.465) 8.830 9.808 ( 2.001 8.747 -1.250) 9.060 10.019 ( 5.106 -2.442 5.940) 8.205 10.228 ( 6.473 8.768 -9.882) 14.711 10.318 ( 9.292 -7.475 3.245) 12.359 10.459 ( -0.778 -6.607 -0.814) 6.703 10.597 ( 4.226 -6.883 8.230) 11.531 10.729 ( -2.892 -0.254 -5.152) 5.914 11.013 ( 1.977 -3.195 -1.395) 4.007 11.069 ( -2.089 4.447 -0.860) 4.988 11.165 ( -11.046 4.447 -9.915) 15.496 11.561 ( 4.450 -9.621 -4.462) 11.501 11.774 ( 6.138 -5.347 6.066) 10.152 11.932 ( 9.186 0.111 10.686) 14.092 12.105 ( -4.120 -11.693 -1.870) 12.537 12.272 ( -2.089 5.928 -6.163) 8.803 12.300 ( -13.086 11.401 4.912) 18.037 12.494 ( 0.199 1.510 0.171) 1.532 12.544 ( 7.142 -3.550 4.159) 8.994 12.629 ( 0.478 -4.138 1.879) 4.570 12.846 ( 2.856 -13.314 -3.526) 14.066 12.944 ( -10.235 14.411 4.924) 18.349 13.028 ( 3.744 -3.065 -1.874) 5.188 13.188 ( -5.038 -3.616 -3.260) 7.006 13.456 ( -6.597 -0.309 -7.503) 9.995 13.553 ( 3.922 -3.555 0.839) 5.359 13.638 ( -3.744 3.849 0.806) 5.430 13.775 ( -0.655 10.569 1.981) 10.773 13.846 ( 11.691 -7.143 7.033) 15.400 13.950 ( -0.604 -3.186 -1.807) 3.712 14.050 ( 5.060 -8.635 -7.766) 12.668 14.229 ( 0.251 -13.658 -6.512) 15.133 14.356 ( -11.379 4.172 2.734) 12.424 14.457 ( -1.768 3.936 -2.446) 4.960 14.592 ( -10.951 4.610 -4.064) 12.558 14.691 ( -19.997 0.338 -3.840) 20.365 14.926 ( -3.797 -8.967 2.426) 10.035 15.010 ( -3.386 -12.477 4.186) 13.589 15.134 ( -1.710 1.816 4.093) 4.793 15.171 ( -5.635 -0.109 4.251) 7.059 15.256 ( -8.476 -8.920 -0.783) 12.330 15.418 ( -1.141 -3.417 2.117) 4.178 15.620 ( -1.599 11.239 3.816) 11.976 15.795 ( -5.605 0.009 2.781) 6.257 15.969 ( -1.305 6.664 -4.360) 8.070 16.006 ( -5.058 8.216 4.302) 10.563 16.109 ( -7.259 2.577 2.690) 8.159 16.363 ( 1.908 -10.242 5.747) 11.898 16.512 ( -9.604 -7.420 -0.677) 12.155 16.710 ( -5.396 -4.698 -3.204) 7.839 16.952 ( -15.353 -5.696 0.087) 16.376 17.030 ( -6.115 -1.437 -10.557) 12.285 17.148 ( -8.565 5.102 -2.108) 10.190 17.405 ( -8.747 -9.300 -6.411) 14.287 17.580 ( 6.662 8.548 2.135) 11.046 17.927 ( 2.149 3.122 -9.900) 10.600 17.968 ( -2.877 0.838 5.517) 6.278 18.273 ( 1.803 0.427 -0.697) 1.979 18.370 ( 5.858 7.184 3.846) 10.036 18.518 ( 3.110 -3.150 5.730) 7.240 18.692 ( -1.052 -0.131 -6.452) 6.539 18.864 ( -1.461 -2.763 3.589) 4.759 18.934 ( 13.069 4.182 -4.452) 14.426 19.084 ( 4.655 0.178 -5.499) 7.207 19.242 ( 3.689 4.906 3.681) 7.157 19.394 ( 5.905 0.786 5.301) 7.974 19.484 ( 2.311 -4.631 3.798) 6.419 19.607 ( 2.331 0.126 0.388) 2.366 19.639 ( -2.391 2.052 -0.877) 3.270 19.748 ( -3.447 -4.605 1.494) 5.943 19.865 ( -0.436 -9.123 7.103) 11.570 20.168 ( 3.580 -0.466 -1.897) 4.078 20.237 ( -3.288 1.945 5.544) 6.733 20.285 ( 3.173 10.032 -2.228) 10.755 20.981 ( -12.657 -5.548 -8.318) 16.130 21.328 ( -2.456 -0.391 1.217) 2.768 21.565 ( 2.615 8.170 2.101) 8.831 21.774 ( -2.296 -7.252 -4.415) 8.795 23.160 ( 9.190 6.103 -1.924) 11.199 23.284 ( -0.704 1.364 0.601) 1.649 23.336 ( 2.111 -2.565 -3.647) 4.933 23.353 ( 1.375 2.660 -3.058) 4.280 23.469 ( 5.852 -1.600 6.097) 8.601 23.651 ( -3.333 -5.926 -0.507) 6.818 24.015 ( 0.418 -0.654 0.790) 1.107 24.190 ( -8.523 3.751 4.211) 10.220 24.339 ( 4.936 -5.599 1.573) 7.629 24.461 ( -5.996 -1.386 -3.131) 6.905 25.829 ( 7.055 13.282 1.942) 15.165 26.144 ( -1.087 -8.199 -3.391) 8.939 26.302 ( 0.183 -1.096 1.462) 1.836 26.644 ( -4.931 -0.547 -0.442) 4.981 ======================= Grid point 32 (22/95) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.393 ( -2.603 15.786 -2.977) 16.274 5.323 ( 13.762 23.386 0.235) 27.136 5.398 ( 0.738 28.637 -4.395) 28.982 5.654 ( -3.726 24.071 4.123) 24.704 6.025 ( 14.046 40.097 -3.371) 42.619 6.244 ( 19.619 3.543 -9.418) 22.049 6.349 ( 20.132 5.850 11.050) 23.699 6.641 ( 24.036 1.861 10.969) 26.486 6.787 ( 11.468 1.539 0.740) 11.595 7.045 ( 14.772 15.709 1.006) 21.587 7.172 ( 13.802 3.243 -0.912) 14.207 7.334 ( 0.102 7.289 -1.280) 7.402 7.411 ( 11.474 11.594 -1.761) 16.407 7.679 ( 3.293 10.174 -1.555) 10.806 7.850 ( -6.078 12.957 -0.611) 14.325 7.972 ( -10.819 -7.833 3.867) 13.906 7.986 ( -17.065 -9.349 -15.673) 24.985 8.160 ( 8.932 4.618 8.500) 13.167 8.306 ( 9.164 24.834 2.540) 26.593 8.471 ( 3.153 2.022 -0.050) 3.746 8.635 ( -4.272 10.588 -6.196) 12.990 8.757 ( 4.834 8.944 -4.709) 11.204 8.847 ( -4.056 10.355 1.078) 11.173 8.930 ( -6.512 4.709 3.569) 8.793 9.374 ( 5.232 -5.263 2.671) 7.887 9.470 ( 3.127 4.984 1.537) 6.082 9.578 ( 0.980 6.210 4.766) 7.890 9.666 ( 3.621 0.431 -4.576) 5.851 9.775 ( 11.093 4.136 7.695) 14.120 9.828 ( 6.625 6.151 0.071) 9.040 10.100 ( 1.505 3.013 -6.883) 7.663 10.149 ( 9.835 2.537 -0.234) 10.159 10.368 ( 7.235 2.219 -8.959) 11.727 10.582 ( -6.807 -2.084 -4.435) 8.387 10.619 ( -6.865 1.881 7.444) 10.299 10.797 ( 1.596 -8.182 13.256) 15.660 10.896 ( -1.342 12.416 -2.776) 12.793 10.996 ( -13.897 -2.942 -8.507) 16.558 11.269 ( 16.129 -7.037 13.712) 22.309 11.638 ( 1.455 -2.443 -12.121) 12.450 11.781 ( -8.147 17.102 8.090) 20.598 11.871 ( -15.928 2.682 -3.044) 16.437 11.954 ( -11.832 7.631 5.573) 15.142 12.101 ( 0.770 2.235 -1.529) 2.815 12.179 ( -8.793 15.078 -8.912) 19.598 12.450 ( 6.062 -6.855 3.381) 9.756 12.637 ( 2.385 -2.991 -1.494) 4.106 12.698 ( 5.874 -3.208 0.458) 6.708 12.829 ( 4.165 -4.928 9.168) 11.211 13.019 ( 2.115 -4.391 -4.794) 6.837 13.091 ( -2.781 0.488 -2.488) 3.763 13.219 ( 5.834 0.017 -3.753) 6.937 13.398 ( -7.215 2.122 -3.936) 8.488 13.520 ( 3.936 -6.875 0.739) 7.956 13.597 ( -5.346 2.283 -1.667) 6.047 13.708 ( -3.119 0.907 2.468) 4.079 13.932 ( -10.286 0.722 -6.060) 11.960 13.985 ( 4.184 -10.076 -1.250) 10.981 14.158 ( -3.187 -4.488 6.779) 8.733 14.330 ( 3.624 -0.205 -1.581) 3.959 14.416 ( 5.814 -16.627 4.046) 18.072 14.456 ( -5.019 -4.992 -1.588) 7.254 14.512 ( -3.793 -7.552 -4.722) 9.681 14.661 ( 0.701 -23.973 -6.827) 24.936 14.954 ( -12.330 -20.327 7.472) 24.921 15.053 ( -7.343 -2.088 1.200) 7.728 15.164 ( 1.283 1.680 1.748) 2.742 15.238 ( 4.994 0.046 7.118) 8.695 15.317 ( 0.378 -5.831 2.893) 6.521 15.506 ( -0.117 -4.840 4.562) 6.652 15.536 ( 1.450 -1.030 -0.963) 2.023 15.651 ( -2.906 14.350 2.033) 14.782 15.814 ( 5.851 9.422 -3.136) 11.525 15.918 ( 3.119 2.891 -1.166) 4.410 16.137 ( -3.538 -11.819 5.232) 13.401 16.469 ( -8.220 -2.737 2.943) 9.150 16.600 ( 7.578 -9.508 2.948) 12.511 16.692 ( -9.303 -4.190 -10.855) 14.898 16.832 ( -6.139 -2.524 2.630) 7.140 16.953 ( -4.527 -9.052 -8.534) 13.238 17.087 ( -5.647 -10.468 1.183) 11.952 17.385 ( -6.843 -9.145 -8.052) 13.975 17.558 ( 10.384 10.730 -1.562) 15.013 17.851 ( -5.930 5.504 -0.506) 8.106 17.937 ( -0.164 -1.130 2.167) 2.450 18.221 ( -2.523 11.889 -1.394) 12.233 18.268 ( 0.849 2.957 -1.479) 3.413 18.601 ( 1.969 4.377 4.077) 6.297 18.700 ( 0.506 -6.660 -2.697) 7.203 18.874 ( -0.401 4.625 6.889) 8.307 18.922 ( 3.711 9.349 -3.495) 10.648 19.200 ( 6.328 -4.135 -0.450) 7.572 19.276 ( 4.177 0.593 0.071) 4.219 19.417 ( 1.545 0.128 0.637) 1.676 19.559 ( -2.185 1.284 0.178) 2.541 19.585 ( -0.099 -3.057 -2.870) 4.194 19.682 ( 0.150 -0.914 13.381) 13.413 19.796 ( 2.830 -2.115 -0.948) 3.657 20.030 ( -0.322 -7.172 1.679) 7.373 20.072 ( -3.433 10.230 2.487) 11.074 20.124 ( -0.705 0.437 -8.583) 8.623 20.320 ( 5.130 1.035 3.823) 6.481 20.931 ( -4.650 -8.109 -5.641) 10.918 21.328 ( -2.029 -4.104 1.085) 4.705 21.493 ( 1.334 7.795 2.477) 8.287 21.782 ( -3.760 -4.202 -4.431) 7.171 23.134 ( 2.979 9.707 0.200) 10.156 23.246 ( -1.989 -0.581 -0.522) 2.137 23.352 ( 5.617 -0.970 -3.644) 6.766 23.394 ( 2.810 0.365 -0.318) 2.851 23.573 ( -1.139 2.695 1.277) 3.192 23.723 ( 6.893 -5.641 3.048) 9.414 24.024 ( -8.799 4.914 4.926) 11.218 24.095 ( -0.318 -10.214 -1.456) 10.322 24.349 ( -7.769 0.416 -3.111) 8.379 24.475 ( 3.446 -3.469 0.847) 4.962 25.768 ( 8.404 12.803 1.043) 15.350 26.154 ( -5.485 -4.761 -3.329) 7.990 26.329 ( -0.220 -0.202 1.576) 1.604 26.633 ( -0.868 -3.556 0.258) 3.669 ======================= Grid point 33 (23/95) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.085 ( 0.000 23.029 -0.000) 23.029 4.780 ( 0.000 44.049 -0.000) 44.049 5.031 ( 0.000 29.968 -0.000) 29.968 5.318 ( 0.000 35.051 -0.000) 35.051 5.656 ( 0.000 17.593 -0.000) 17.593 6.274 ( 0.000 17.235 -0.000) 17.235 6.411 ( 0.000 2.934 -0.000) 2.934 6.673 ( 0.000 28.908 -0.000) 28.908 6.899 ( 0.000 9.276 -0.000) 9.276 7.028 ( 0.000 1.438 -0.000) 1.438 7.159 ( 0.000 1.873 -0.000) 1.873 7.325 ( 0.000 20.678 -0.000) 20.678 7.509 ( 0.000 15.464 -0.000) 15.464 7.516 ( -0.000 -3.043 0.000) 3.043 7.603 ( -0.000 -8.143 0.000) 8.143 7.676 ( 0.000 18.692 -0.000) 18.692 7.900 ( 0.000 0.128 -0.000) 0.128 8.034 ( 0.000 12.995 -0.000) 12.995 8.149 ( 0.000 27.150 -0.000) 27.150 8.279 ( 0.000 0.020 -0.000) 0.020 8.486 ( 0.000 5.839 -0.000) 5.839 8.626 ( 0.000 19.271 -0.000) 19.271 8.801 ( -0.000 -9.688 0.000) 9.688 9.043 ( -0.000 -13.082 0.000) 13.082 9.336 ( 0.000 7.058 -0.000) 7.058 9.488 ( 0.000 11.606 -0.000) 11.606 9.517 ( 0.000 0.606 -0.000) 0.606 9.677 ( 0.000 0.928 -0.000) 0.928 9.690 ( 0.000 15.366 -0.000) 15.366 9.760 ( 0.000 4.843 -0.000) 4.843 10.133 ( -0.000 -3.223 0.000) 3.223 10.244 ( -0.000 -0.053 0.000) 0.053 10.325 ( 0.000 12.744 -0.000) 12.744 10.484 ( 0.000 2.377 -0.000) 2.377 10.637 ( -0.000 -6.263 0.000) 6.263 10.694 ( 0.000 5.805 -0.000) 5.805 10.723 ( 0.000 10.584 -0.000) 10.584 11.031 ( -0.000 -6.707 0.000) 6.707 11.362 ( 0.000 17.311 -0.000) 17.311 11.460 ( 0.000 8.129 -0.000) 8.129 11.638 ( 0.000 8.860 -0.000) 8.860 11.670 ( -0.000 -0.239 0.000) 0.239 11.809 ( -0.000 -5.355 0.000) 5.355 11.865 ( 0.000 6.653 -0.000) 6.653 12.138 ( 0.000 1.250 -0.000) 1.250 12.530 ( -0.000 -0.603 0.000) 0.603 12.713 ( 0.000 11.376 -0.000) 11.376 12.781 ( -0.000 -3.285 0.000) 3.285 12.910 ( 0.000 15.576 -0.000) 15.576 12.952 ( 0.000 5.216 -0.000) 5.216 13.167 ( 0.000 2.033 -0.000) 2.033 13.208 ( 0.000 0.836 -0.000) 0.836 13.368 ( 0.000 3.478 -0.000) 3.478 13.373 ( -0.000 -19.543 0.000) 19.543 13.721 ( 0.000 9.436 -0.000) 9.436 13.742 ( -0.000 -8.753 0.000) 8.753 13.867 ( -0.000 -12.667 0.000) 12.667 14.109 ( 0.000 4.865 -0.000) 4.865 14.131 ( -0.000 -7.665 0.000) 7.665 14.397 ( -0.000 -2.817 0.000) 2.817 14.585 ( -0.000 -21.697 0.000) 21.697 14.596 ( -0.000 -9.831 0.000) 9.831 14.765 ( -0.000 -7.007 0.000) 7.007 14.910 ( 0.000 7.390 -0.000) 7.390 14.985 ( 0.000 2.124 -0.000) 2.124 15.022 ( -0.000 -1.251 0.000) 1.251 15.213 ( -0.000 -6.524 0.000) 6.524 15.297 ( -0.000 -24.717 0.000) 24.717 15.350 ( 0.000 9.684 -0.000) 9.684 15.532 ( -0.000 -4.985 0.000) 4.985 15.626 ( -0.000 -13.943 0.000) 13.943 15.729 ( 0.000 8.765 -0.000) 8.765 15.739 ( -0.000 -20.831 0.000) 20.831 16.034 ( -0.000 -14.025 0.000) 14.025 16.340 ( -0.000 -12.956 0.000) 12.956 16.491 ( -0.000 -13.609 0.000) 13.609 16.534 ( 0.000 2.375 -0.000) 2.375 16.829 ( -0.000 -1.818 0.000) 1.818 16.900 ( 0.000 0.246 -0.000) 0.246 16.920 ( -0.000 -10.538 0.000) 10.538 17.270 ( -0.000 -8.790 0.000) 8.790 17.438 ( -0.000 -7.896 0.000) 7.896 17.563 ( 0.000 1.635 -0.000) 1.635 17.623 ( 0.000 5.683 -0.000) 5.683 18.031 ( -0.000 -10.504 0.000) 10.504 18.065 ( 0.000 6.824 -0.000) 6.824 18.223 ( 0.000 3.550 -0.000) 3.550 18.510 ( 0.000 9.395 -0.000) 9.395 18.779 ( 0.000 8.611 -0.000) 8.611 18.789 ( -0.000 -0.360 0.000) 0.360 18.861 ( -0.000 -1.951 0.000) 1.951 19.233 ( 0.000 6.927 -0.000) 6.927 19.288 ( -0.000 -0.057 0.000) 0.057 19.480 ( -0.000 -3.078 0.000) 3.078 19.498 ( 0.000 6.915 -0.000) 6.915 19.623 ( -0.000 -4.665 0.000) 4.665 19.711 ( -0.000 -4.063 0.000) 4.063 19.848 ( 0.000 6.485 -0.000) 6.485 19.890 ( 0.000 3.516 -0.000) 3.516 20.047 ( -0.000 -1.758 0.000) 1.758 20.224 ( -0.000 -6.088 0.000) 6.088 20.338 ( 0.000 0.403 -0.000) 0.403 20.983 ( -0.000 -4.490 0.000) 4.490 21.377 ( 0.000 11.664 -0.000) 11.664 21.420 ( -0.000 -10.725 0.000) 10.725 21.810 ( -0.000 -6.872 0.000) 6.872 23.019 ( 0.000 9.134 -0.000) 9.134 23.247 ( -0.000 -1.148 0.000) 1.148 23.342 ( 0.000 8.130 -0.000) 8.130 23.428 ( -0.000 -2.025 0.000) 2.025 23.531 ( 0.000 1.266 -0.000) 1.266 23.880 ( 0.000 5.678 -0.000) 5.678 23.894 ( -0.000 -6.384 0.000) 6.384 24.186 ( 0.000 0.892 -0.000) 0.892 24.311 ( -0.000 -9.356 0.000) 9.356 24.527 ( -0.000 -0.438 0.000) 0.438 25.650 ( 0.000 13.869 -0.000) 13.869 26.195 ( -0.000 -8.840 0.000) 8.840 26.301 ( 0.000 3.954 -0.000) 3.954 26.700 ( -0.000 -6.107 0.000) 6.107 ======================= Grid point 40 (24/95) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.601 ( -0.207 0.000 -4.857) 4.862 5.617 ( 34.640 -0.000 7.930) 35.536 5.851 ( 23.911 -0.000 0.777) 23.924 6.239 ( -4.570 0.000 -6.565) 7.998 6.287 ( -2.549 0.000 -6.122) 6.631 6.420 ( 6.096 -0.000 11.026) 12.599 6.581 ( 18.834 -0.000 6.381) 19.885 6.852 ( 2.996 -0.000 -3.312) 4.466 6.883 ( 2.002 -0.000 13.894) 14.037 7.121 ( 17.927 -0.000 -9.373) 20.230 7.234 ( 5.583 -0.000 -19.417) 20.204 7.380 ( -5.071 0.000 -1.937) 5.428 7.445 ( 7.702 -0.000 4.726) 9.037 7.782 ( -2.694 0.000 -6.557) 7.089 7.834 ( -7.479 0.000 0.557) 7.499 7.948 ( 16.118 -0.000 -1.621) 16.199 8.067 ( 8.848 -0.000 -0.423) 8.858 8.230 ( 2.247 -0.000 0.680) 2.347 8.337 ( -3.831 0.000 18.080) 18.482 8.638 ( -5.863 0.000 -0.318) 5.872 8.793 ( 20.996 -0.000 -0.076) 20.996 8.825 ( -1.513 0.000 4.403) 4.656 9.012 ( -8.419 0.000 -2.416) 8.759 9.214 ( 1.216 -0.000 4.672) 4.827 9.388 ( -6.917 0.000 -4.454) 8.227 9.590 ( 16.298 -0.000 -16.049) 22.873 9.631 ( 18.241 -0.000 -3.766) 18.626 9.660 ( 6.733 -0.000 2.450) 7.165 9.907 ( -2.808 0.000 5.951) 6.581 10.007 ( 4.610 -0.000 7.817) 9.076 10.102 ( -11.980 0.000 -7.968) 14.388 10.132 ( 7.685 -0.000 2.828) 8.189 10.363 ( 0.226 -0.000 11.314) 11.316 10.509 ( -9.170 0.000 0.157) 9.172 10.666 ( 7.822 -0.000 -6.819) 10.376 10.779 ( 5.908 -0.000 -2.611) 6.459 10.859 ( 21.487 -0.000 4.751) 22.005 11.119 ( 3.602 -0.000 -4.658) 5.888 11.437 ( 10.232 -0.000 0.256) 10.235 11.606 ( 14.709 -0.000 7.060) 16.316 11.631 ( -11.075 0.000 -7.835) 13.566 11.920 ( 0.262 -0.000 -0.701) 0.748 12.140 ( 4.473 -0.000 13.460) 14.184 12.198 ( -11.861 0.000 -9.493) 15.192 12.317 ( -4.187 0.000 1.839) 4.573 12.437 ( -8.824 0.000 -6.095) 10.724 12.544 ( -9.191 0.000 -1.869) 9.380 12.591 ( 8.771 -0.000 0.911) 8.818 12.649 ( 0.285 -0.000 -0.318) 0.427 12.925 ( -10.301 0.000 14.583) 17.854 13.101 ( 2.775 -0.000 -1.540) 3.174 13.262 ( 3.999 -0.000 -5.638) 6.913 13.341 ( 7.222 -0.000 0.864) 7.274 13.487 ( -5.067 0.000 -2.462) 5.633 13.602 ( -5.594 0.000 -0.270) 5.600 13.785 ( -18.790 0.000 -4.654) 19.358 13.964 ( 5.531 -0.000 -1.315) 5.685 13.992 ( -1.362 0.000 -0.983) 1.680 14.006 ( 9.926 -0.000 5.759) 11.476 14.065 ( -3.783 0.000 -8.985) 9.749 14.203 ( -4.758 0.000 0.408) 4.775 14.261 ( -15.216 0.000 1.120) 15.257 14.343 ( -11.375 0.000 -3.125) 11.796 14.561 ( -12.562 0.000 -2.794) 12.869 14.678 ( -6.710 0.000 6.186) 9.127 14.851 ( -4.825 0.000 -1.621) 5.090 15.111 ( -0.802 0.000 -0.436) 0.913 15.163 ( -2.376 0.000 2.911) 3.757 15.238 ( 4.611 -0.000 6.418) 7.902 15.394 ( -0.689 0.000 -0.475) 0.836 15.827 ( 6.932 -0.000 -2.934) 7.527 15.861 ( 10.920 -0.000 13.790) 17.590 16.022 ( -2.515 0.000 0.751) 2.625 16.078 ( -5.027 0.000 10.178) 11.351 16.114 ( 7.681 -0.000 -5.581) 9.494 16.259 ( -1.038 0.000 3.240) 3.402 16.346 ( 1.156 -0.000 -4.749) 4.888 16.605 ( -2.985 0.000 -0.258) 2.996 16.707 ( -14.066 0.000 -0.914) 14.095 16.781 ( -15.515 0.000 -13.416) 20.511 17.024 ( -12.707 0.000 -3.211) 13.107 17.228 ( -1.453 0.000 0.210) 1.468 17.835 ( 11.704 -0.000 -3.243) 12.145 17.913 ( 0.758 -0.000 -8.383) 8.418 18.025 ( 1.108 -0.000 4.490) 4.624 18.197 ( -2.690 0.000 3.762) 4.625 18.554 ( 3.472 -0.000 3.208) 4.728 18.568 ( -10.576 0.000 -3.545) 11.155 18.670 ( 11.132 -0.000 7.131) 13.220 18.801 ( 0.392 -0.000 -2.326) 2.359 19.104 ( 0.558 -0.000 -5.520) 5.548 19.148 ( 12.762 -0.000 -2.302) 12.968 19.305 ( 0.887 -0.000 0.392) 0.969 19.401 ( -0.902 0.000 0.769) 1.185 19.559 ( -2.513 0.000 -2.157) 3.312 19.614 ( -9.009 0.000 7.529) 11.741 19.620 ( 6.559 -0.000 -3.997) 7.681 19.738 ( 3.501 -0.000 0.441) 3.529 19.840 ( 5.582 -0.000 18.941) 19.746 20.099 ( -5.981 0.000 -6.642) 8.938 20.319 ( 6.399 -0.000 5.423) 8.388 20.441 ( 4.820 -0.000 -0.903) 4.904 20.688 ( -13.644 0.000 -9.513) 16.633 21.296 ( -2.035 0.000 0.702) 2.153 21.556 ( -5.015 0.000 -1.432) 5.215 21.779 ( 4.026 -0.000 -0.679) 4.083 23.236 ( -2.606 0.000 -1.560) 3.038 23.303 ( 0.364 -0.000 0.803) 0.881 23.325 ( 7.886 -0.000 -4.886) 9.277 23.490 ( 0.125 -0.000 -3.509) 3.511 23.493 ( 3.135 -0.000 1.604) 3.521 23.633 ( 9.734 -0.000 7.035) 12.010 23.860 ( -13.842 0.000 2.612) 14.087 24.242 ( -1.053 0.000 -0.874) 1.368 24.345 ( -6.467 0.000 -3.664) 7.433 24.349 ( 4.322 -0.000 3.297) 5.436 26.015 ( 1.428 -0.000 -3.185) 3.491 26.074 ( 3.253 -0.000 2.989) 4.418 26.286 ( -1.077 0.000 -0.028) 1.077 26.584 ( -2.372 0.000 -0.270) 2.387 ======================= Grid point 41 (25/95) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.534 ( 0.000 7.667 -0.000) 7.667 5.815 ( 0.000 27.391 -0.000) 27.391 5.819 ( 0.000 20.692 -0.000) 20.692 5.894 ( 0.000 19.700 -0.000) 19.700 6.306 ( -0.000 -4.534 0.000) 4.534 6.548 ( 0.000 5.707 -0.000) 5.707 6.638 ( 0.000 11.202 -0.000) 11.202 6.928 ( -0.000 -4.406 0.000) 4.406 6.987 ( 0.000 17.136 -0.000) 17.136 7.057 ( -0.000 -6.799 0.000) 6.799 7.138 ( 0.000 2.669 -0.000) 2.669 7.330 ( -0.000 -6.355 0.000) 6.355 7.674 ( -0.000 -3.731 0.000) 3.731 7.762 ( -0.000 -15.695 0.000) 15.695 7.803 ( -0.000 -0.255 0.000) 0.255 7.911 ( 0.000 22.187 -0.000) 22.187 7.998 ( 0.000 23.431 -0.000) 23.431 8.281 ( -0.000 -3.261 0.000) 3.261 8.450 ( -0.000 -6.857 0.000) 6.857 8.669 ( 0.000 0.902 -0.000) 0.902 8.690 ( -0.000 -6.747 0.000) 6.747 8.805 ( 0.000 17.308 -0.000) 17.308 9.001 ( 0.000 4.067 -0.000) 4.067 9.018 ( 0.000 27.107 -0.000) 27.107 9.437 ( -0.000 -8.798 0.000) 8.798 9.529 ( 0.000 6.585 -0.000) 6.585 9.711 ( 0.000 13.720 -0.000) 13.720 9.789 ( 0.000 8.214 -0.000) 8.214 9.804 ( -0.000 -7.397 0.000) 7.397 9.999 ( 0.000 8.167 -0.000) 8.167 10.007 ( -0.000 -4.845 0.000) 4.845 10.230 ( -0.000 -1.748 0.000) 1.748 10.351 ( -0.000 -8.307 0.000) 8.307 10.511 ( -0.000 -8.906 0.000) 8.906 10.691 ( 0.000 11.057 -0.000) 11.057 10.887 ( 0.000 4.590 -0.000) 4.590 10.915 ( 0.000 7.536 -0.000) 7.536 11.096 ( 0.000 10.090 -0.000) 10.090 11.518 ( 0.000 7.019 -0.000) 7.019 11.537 ( -0.000 -11.926 0.000) 11.926 11.741 ( 0.000 7.794 -0.000) 7.794 11.766 ( 0.000 11.974 -0.000) 11.974 12.063 ( -0.000 -3.311 0.000) 3.311 12.224 ( 0.000 10.583 -0.000) 10.583 12.238 ( 0.000 4.366 -0.000) 4.366 12.378 ( -0.000 -8.329 0.000) 8.329 12.603 ( -0.000 -10.488 0.000) 10.488 12.670 ( 0.000 0.015 -0.000) 0.015 12.714 ( -0.000 -8.635 0.000) 8.635 12.857 ( -0.000 -3.853 0.000) 3.853 13.120 ( -0.000 -6.018 0.000) 6.018 13.327 ( -0.000 -0.834 0.000) 0.834 13.333 ( 0.000 2.329 -0.000) 2.329 13.492 ( 0.000 7.996 -0.000) 7.996 13.537 ( 0.000 0.734 -0.000) 0.734 13.760 ( 0.000 12.689 -0.000) 12.689 13.769 ( -0.000 -27.171 0.000) 27.171 13.973 ( 0.000 5.256 -0.000) 5.256 14.032 ( -0.000 -1.975 0.000) 1.975 14.224 ( -0.000 -13.942 0.000) 13.942 14.259 ( -0.000 -7.709 0.000) 7.709 14.317 ( -0.000 -14.313 0.000) 14.313 14.353 ( -0.000 -11.861 0.000) 11.861 14.527 ( -0.000 -12.880 0.000) 12.880 14.558 ( 0.000 10.150 -0.000) 10.150 14.920 ( -0.000 -12.889 0.000) 12.889 15.131 ( -0.000 -3.962 0.000) 3.962 15.178 ( -0.000 -3.148 0.000) 3.148 15.312 ( -0.000 -1.011 0.000) 1.011 15.416 ( -0.000 -6.472 0.000) 6.472 15.791 ( 0.000 18.430 -0.000) 18.430 15.868 ( 0.000 11.668 -0.000) 11.668 15.959 ( -0.000 -3.416 0.000) 3.416 15.981 ( 0.000 6.699 -0.000) 6.699 16.117 ( 0.000 12.431 -0.000) 12.431 16.400 ( -0.000 -0.016 0.000) 0.016 16.498 ( -0.000 -6.389 0.000) 6.389 16.501 ( -0.000 -17.982 0.000) 17.982 16.674 ( -0.000 -2.888 0.000) 2.888 16.733 ( -0.000 -18.964 0.000) 18.964 16.910 ( 0.000 0.300 -0.000) 0.300 17.245 ( -0.000 -3.116 0.000) 3.116 17.834 ( 0.000 8.746 -0.000) 8.746 17.886 ( 0.000 4.397 -0.000) 4.397 17.967 ( 0.000 6.158 -0.000) 6.158 18.266 ( -0.000 -2.973 0.000) 2.973 18.355 ( 0.000 11.009 -0.000) 11.009 18.610 ( -0.000 -4.102 0.000) 4.102 18.709 ( 0.000 5.097 -0.000) 5.097 18.902 ( -0.000 -5.932 0.000) 5.932 19.034 ( 0.000 6.454 -0.000) 6.454 19.234 ( 0.000 1.620 -0.000) 1.620 19.311 ( -0.000 -0.342 0.000) 0.342 19.410 ( -0.000 -1.660 0.000) 1.660 19.535 ( -0.000 -0.537 0.000) 0.537 19.566 ( -0.000 -1.196 0.000) 1.196 19.628 ( -0.000 -0.339 0.000) 0.339 19.844 ( -0.000 -7.463 0.000) 7.463 19.990 ( 0.000 0.102 -0.000) 0.102 20.025 ( -0.000 -3.373 0.000) 3.373 20.254 ( 0.000 17.574 -0.000) 17.574 20.393 ( 0.000 1.071 -0.000) 1.071 20.723 ( -0.000 -13.710 0.000) 13.710 21.283 ( -0.000 -0.547 0.000) 0.547 21.524 ( -0.000 -0.908 0.000) 0.908 21.776 ( 0.000 3.557 -0.000) 3.557 23.215 ( -0.000 -0.530 0.000) 0.530 23.290 ( 0.000 9.211 -0.000) 9.211 23.334 ( -0.000 -3.342 0.000) 3.342 23.470 ( 0.000 1.253 -0.000) 1.253 23.551 ( 0.000 0.255 -0.000) 0.255 23.757 ( -0.000 -2.614 0.000) 2.614 23.835 ( -0.000 -11.782 0.000) 11.782 24.144 ( 0.000 8.388 -0.000) 8.388 24.281 ( 0.000 0.095 -0.000) 0.095 24.445 ( -0.000 -5.202 0.000) 5.202 26.015 ( 0.000 10.426 -0.000) 10.426 26.038 ( -0.000 -2.478 0.000) 2.478 26.311 ( -0.000 -2.942 0.000) 2.942 26.583 ( -0.000 -2.205 0.000) 2.205 ======================= Grid point 81 (26/95) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -22.006 0.000 61.786) 65.588 1.344 ( 3.282 -0.000 62.086) 62.172 1.851 ( 18.424 -0.000 85.773) 87.730 3.741 ( 14.056 -0.000 -45.976) 48.076 3.811 ( -4.371 0.000 -48.925) 49.120 5.247 ( -25.117 0.000 -62.984) 67.807 5.908 ( 8.185 -0.000 13.623) 15.893 5.956 ( 7.368 -0.000 28.472) 29.409 6.229 ( 1.559 -0.000 -0.525) 1.645 6.261 ( -3.797 0.000 10.081) 10.773 6.825 ( -4.075 0.000 -1.717) 4.422 7.089 ( -2.632 0.000 -12.624) 12.895 7.548 ( -5.444 0.000 -2.030) 5.810 7.549 ( 4.260 -0.000 -4.340) 6.081 7.687 ( 3.100 -0.000 7.579) 8.189 7.719 ( 1.298 -0.000 3.623) 3.848 7.847 ( -9.302 0.000 4.306) 10.250 7.899 ( 11.815 -0.000 4.866) 12.778 8.251 ( 10.344 -0.000 -4.826) 11.414 8.394 ( -9.804 0.000 -11.514) 15.122 8.410 ( 6.238 -0.000 0.793) 6.289 8.635 ( -14.442 0.000 -6.868) 15.992 8.914 ( 15.750 -0.000 8.750) 18.017 9.101 ( -6.003 0.000 4.040) 7.236 9.135 ( 7.849 -0.000 3.122) 8.447 9.320 ( -23.667 0.000 -2.026) 23.753 9.375 ( 0.817 -0.000 3.944) 4.028 9.528 ( 6.720 -0.000 16.440) 17.760 9.593 ( -2.948 0.000 3.501) 4.576 9.704 ( 7.227 -0.000 8.587) 11.224 9.910 ( -13.285 0.000 1.533) 13.373 10.062 ( 5.840 -0.000 8.898) 10.644 10.116 ( -2.884 0.000 3.259) 4.351 10.191 ( -11.994 0.000 -4.398) 12.775 10.191 ( -13.470 0.000 -3.229) 13.851 10.309 ( 9.284 -0.000 -5.792) 10.942 10.453 ( -13.768 0.000 -1.536) 13.853 10.588 ( 15.864 -0.000 -0.503) 15.872 10.690 ( -7.714 0.000 -4.165) 8.767 10.777 ( 2.314 -0.000 1.327) 2.668 10.816 ( 2.396 -0.000 9.338) 9.640 11.375 ( -4.799 0.000 -2.892) 5.603 11.422 ( -0.016 0.000 5.687) 5.687 11.551 ( 7.930 -0.000 -3.948) 8.858 11.618 ( 2.116 -0.000 0.848) 2.280 11.688 ( 2.454 -0.000 1.645) 2.954 11.824 ( -3.516 0.000 -2.240) 4.169 11.952 ( 2.099 -0.000 -11.096) 11.293 12.015 ( -4.711 0.000 0.155) 4.714 12.137 ( 0.292 -0.000 7.811) 7.817 12.590 ( -1.486 0.000 -14.010) 14.088 12.718 ( -0.195 0.000 8.671) 8.673 12.797 ( 8.513 -0.000 -12.902) 15.458 13.074 ( 6.874 -0.000 -9.229) 11.508 13.456 ( -6.505 0.000 2.204) 6.868 13.696 ( 2.954 -0.000 -15.100) 15.386 14.055 ( 4.033 -0.000 5.833) 7.091 14.479 ( -14.811 0.000 -16.591) 22.240 14.488 ( 6.589 -0.000 11.047) 12.862 14.827 ( -7.723 0.000 -4.442) 8.909 14.889 ( -4.311 0.000 10.679) 11.517 15.064 ( 24.294 -0.000 5.770) 24.970 15.197 ( -9.694 0.000 -3.712) 10.381 15.345 ( 0.088 -0.000 0.730) 0.735 15.389 ( -3.830 0.000 -0.042) 3.830 15.432 ( 1.058 -0.000 7.829) 7.900 15.510 ( 1.396 -0.000 -5.527) 5.700 15.702 ( 16.285 -0.000 -8.826) 18.523 15.749 ( -2.184 0.000 11.057) 11.271 15.814 ( -13.681 0.000 -3.061) 14.019 16.065 ( 10.890 -0.000 6.004) 12.436 16.311 ( 14.997 -0.000 26.224) 30.209 16.604 ( -3.906 0.000 -6.052) 7.203 16.720 ( 7.449 -0.000 8.364) 11.201 16.906 ( -0.620 0.000 -2.008) 2.102 16.927 ( 1.962 -0.000 -9.242) 9.448 17.228 ( -34.348 0.000 -0.919) 34.360 17.249 ( -3.310 0.000 -5.264) 6.218 17.358 ( 14.846 -0.000 8.941) 17.331 17.435 ( -2.280 0.000 7.734) 8.063 17.501 ( 5.302 -0.000 -1.166) 5.429 17.811 ( 13.068 -0.000 -8.887) 15.804 17.949 ( 1.970 -0.000 2.470) 3.159 17.954 ( -0.726 0.000 -3.552) 3.625 18.184 ( -16.869 0.000 -10.648) 19.949 18.215 ( -4.306 0.000 -4.652) 6.339 18.266 ( -10.617 0.000 -1.629) 10.741 18.374 ( 16.035 -0.000 -4.217) 16.580 18.588 ( 3.511 -0.000 6.782) 7.637 18.663 ( 8.971 -0.000 4.635) 10.098 18.753 ( 6.743 -0.000 -5.710) 8.836 18.921 ( 0.546 -0.000 -7.915) 7.934 18.947 ( 8.726 -0.000 3.233) 9.306 19.138 ( -8.894 0.000 -8.165) 12.073 19.501 ( 6.972 -0.000 7.017) 9.892 19.534 ( -2.452 0.000 8.750) 9.087 20.009 ( -3.030 0.000 5.224) 6.039 20.023 ( 2.065 -0.000 -1.840) 2.766 20.058 ( -5.614 0.000 -4.057) 6.927 20.209 ( 10.303 -0.000 -3.337) 10.830 20.325 ( -3.632 0.000 4.211) 5.561 20.393 ( 3.942 -0.000 -0.758) 4.015 20.832 ( -12.536 0.000 9.471) 15.711 21.209 ( 7.967 -0.000 -5.031) 9.423 21.927 ( -55.987 0.000 3.798) 56.115 22.275 ( 8.342 -0.000 -10.589) 13.480 22.814 ( 0.515 -0.000 9.463) 9.477 22.967 ( 3.494 -0.000 2.416) 4.248 23.151 ( 1.984 -0.000 0.255) 2.000 23.164 ( -2.484 0.000 0.405) 2.517 23.252 ( -0.295 0.000 0.120) 0.318 23.254 ( -0.846 0.000 0.031) 0.846 23.817 ( -0.281 0.000 -7.082) 7.088 23.872 ( -3.440 0.000 -9.301) 9.917 24.541 ( 0.472 -0.000 3.296) 3.330 24.620 ( 3.544 -0.000 -2.779) 4.503 25.177 ( 13.596 -0.000 13.758) 19.343 25.691 ( -2.190 0.000 -7.690) 7.996 27.000 ( -4.470 0.000 6.479) 7.871 27.307 ( 23.796 -0.000 -5.013) 24.318 ======================= Grid point 82 (27/95) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 4.963 -23.200 40.766) 47.167 1.810 ( 21.992 -4.484 53.207) 57.747 3.310 ( 44.965 -35.665 46.805) 74.058 3.437 ( 13.448 6.224 -31.869) 35.146 3.679 ( -4.139 -14.366 -48.465) 50.719 5.122 ( 7.353 -27.944 -37.251) 47.144 6.063 ( 6.315 1.261 12.055) 13.667 6.213 ( 13.952 -0.291 15.420) 20.797 6.228 ( -5.991 -1.698 4.890) 7.918 6.362 ( 6.395 -4.231 4.455) 8.868 6.713 ( -7.997 1.264 -4.673) 9.348 6.966 ( -5.045 3.211 -14.733) 15.901 7.423 ( -6.517 5.617 -3.914) 9.452 7.499 ( -4.002 4.020 -2.486) 6.193 7.617 ( -5.318 10.906 -1.250) 12.198 7.709 ( -5.582 2.675 3.869) 7.299 7.843 ( 2.366 2.303 -1.801) 3.761 7.934 ( -15.320 6.957 -0.875) 16.848 8.162 ( -6.658 0.943 -7.386) 9.989 8.207 ( -12.760 10.958 -1.543) 16.890 8.477 ( 5.993 5.095 3.022) 8.427 8.490 ( 12.911 -5.009 2.555) 14.083 8.890 ( -10.877 0.940 0.479) 10.928 8.932 ( -13.941 1.149 -6.564) 15.452 9.149 ( -1.588 -6.084 9.287) 11.215 9.238 ( -5.179 -1.374 6.283) 8.257 9.325 ( -2.877 -5.862 6.907) 9.505 9.499 ( -3.904 -4.502 -1.958) 6.272 9.536 ( 7.486 17.805 8.361) 21.047 9.798 ( -1.549 1.062 10.616) 10.780 9.813 ( 4.977 5.190 -0.120) 7.192 9.973 ( 0.269 10.125 2.269) 10.379 10.104 ( -1.433 -0.570 2.685) 3.096 10.149 ( -3.651 -6.350 8.801) 11.450 10.397 ( -0.010 -15.635 6.393) 16.892 10.464 ( 9.560 3.811 6.209) 12.020 10.565 ( 14.011 -11.173 -2.109) 18.044 10.713 ( 15.704 -12.218 -5.749) 20.711 10.874 ( 16.258 -8.224 -2.552) 18.397 10.939 ( 5.967 -6.824 4.124) 9.958 11.125 ( 13.493 -12.818 -3.864) 19.008 11.358 ( 0.559 -2.719 -6.334) 6.916 11.535 ( 8.328 -5.241 -0.326) 9.845 11.698 ( 3.245 -9.512 5.281) 11.353 11.755 ( 11.843 -5.146 -0.350) 12.917 11.866 ( 4.618 -5.674 -5.011) 8.868 11.910 ( 4.686 -9.644 -6.446) 12.511 12.010 ( 6.588 -15.986 -3.635) 17.668 12.057 ( -1.517 -11.291 2.092) 11.583 12.264 ( 9.395 -1.486 11.511) 14.933 12.518 ( -2.997 -2.637 -14.089) 14.643 12.764 ( 7.770 3.427 5.424) 10.076 12.853 ( 6.781 -1.542 -13.939) 15.577 13.102 ( 7.202 2.063 -9.374) 12.000 13.371 ( -8.352 -2.585 -1.725) 8.912 13.690 ( 2.586 -1.507 -12.267) 12.627 14.112 ( -13.529 5.874 -7.322) 16.467 14.140 ( -0.451 1.232 2.665) 2.970 14.542 ( -5.013 6.416 10.632) 13.391 14.691 ( -4.034 -0.126 2.860) 4.947 14.847 ( -6.787 -0.945 3.048) 7.499 14.975 ( -9.676 5.468 -1.174) 11.176 15.208 ( 0.203 9.630 0.064) 9.632 15.247 ( 3.875 8.336 11.339) 14.597 15.343 ( -6.057 8.319 -2.160) 10.515 15.484 ( -7.111 4.391 -0.350) 8.365 15.526 ( -3.444 -6.338 0.479) 7.229 15.565 ( 2.815 -4.821 5.818) 8.063 15.708 ( -3.919 3.544 -0.112) 5.285 15.847 ( -2.098 -2.684 4.881) 5.952 16.184 ( 6.564 2.935 2.897) 7.752 16.400 ( -4.534 5.688 3.517) 8.080 16.461 ( -2.988 13.225 -2.961) 13.878 16.773 ( 2.627 5.397 -0.600) 6.033 16.797 ( -6.615 2.405 -1.327) 7.163 16.952 ( 2.445 0.004 3.109) 3.955 16.999 ( 3.387 1.637 3.454) 5.107 17.170 ( -5.469 0.306 -4.462) 7.065 17.393 ( -1.994 12.798 2.511) 13.194 17.483 ( -7.433 -0.055 5.264) 9.109 17.600 ( 8.741 1.232 -7.027) 11.283 17.736 ( 3.905 2.349 8.604) 9.736 17.882 ( 3.110 9.246 -1.424) 9.858 18.050 ( -5.997 3.915 -5.485) 9.021 18.061 ( -7.136 -12.525 -12.423) 19.029 18.129 ( 8.273 -2.762 -2.388) 9.043 18.250 ( -4.446 -5.593 -1.454) 7.291 18.434 ( 1.472 3.551 -1.961) 4.315 18.562 ( -2.516 1.374 4.683) 5.491 18.738 ( -4.430 -3.327 -6.861) 8.818 18.912 ( 4.709 -3.411 -5.650) 8.108 18.976 ( 10.865 1.477 -2.676) 11.287 19.006 ( -7.763 -5.952 -8.330) 12.849 19.197 ( 11.397 -3.530 -2.215) 12.135 19.513 ( 1.504 5.163 4.241) 6.848 19.605 ( 2.135 -0.279 1.543) 2.649 19.811 ( -9.501 8.512 1.354) 12.828 19.971 ( 0.476 3.004 -1.800) 3.534 20.017 ( -6.058 -0.451 2.297) 6.494 20.185 ( -1.891 6.511 -3.005) 7.417 20.296 ( -3.545 0.234 5.035) 6.162 20.540 ( 8.555 -4.256 0.342) 9.562 20.691 ( -14.056 -2.456 9.145) 16.948 21.179 ( 2.680 7.131 13.188) 15.230 21.721 ( -10.782 -20.521 -3.521) 23.447 22.311 ( 4.102 3.144 -4.417) 6.799 22.799 ( -3.702 1.558 4.843) 6.292 22.965 ( 1.193 3.041 -0.591) 3.319 23.147 ( -1.892 -1.467 -0.158) 2.399 23.259 ( 3.035 1.125 0.204) 3.243 23.278 ( 5.382 -8.254 2.724) 10.223 23.364 ( 8.152 -5.612 3.376) 10.457 23.757 ( -3.209 1.746 -8.367) 9.129 23.861 ( 1.870 -4.170 -7.223) 8.548 24.519 ( 0.105 4.242 2.702) 5.031 24.662 ( 3.802 -2.103 -1.329) 4.544 25.351 ( 1.659 -0.624 12.481) 12.606 25.686 ( 2.353 -5.642 -9.413) 11.224 26.896 ( -8.638 4.353 3.710) 10.360 27.374 ( 3.141 9.021 -6.800) 11.725 ======================= Grid point 83 (28/95) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 22.846 -38.033 12.642) 46.134 2.487 ( 28.188 -12.213 34.424) 46.138 3.151 ( 20.845 4.707 -40.223) 45.547 3.681 ( -1.246 -21.876 -42.483) 47.801 5.090 ( 51.542 -49.587 55.703) 90.655 5.536 ( 5.228 -17.908 -6.134) 19.638 6.012 ( -13.863 10.476 -3.563) 17.738 6.209 ( 6.246 4.890 16.802) 18.581 6.347 ( -4.829 3.835 0.441) 6.182 6.448 ( 3.534 2.344 -0.745) 4.306 6.623 ( -3.933 1.615 0.930) 4.353 6.829 ( -0.237 -2.808 -7.115) 7.653 7.138 ( -13.399 13.059 -1.842) 18.801 7.268 ( -6.837 11.855 -6.472) 15.138 7.355 ( -17.421 9.094 -4.454) 20.150 7.436 ( -4.055 7.126 -2.148) 8.476 7.610 ( -7.715 1.540 -5.292) 9.481 7.731 ( -8.169 6.128 -0.062) 10.212 7.805 ( -5.740 11.774 -4.774) 13.941 8.095 ( -10.233 4.685 1.660) 11.377 8.483 ( 1.753 5.215 3.726) 6.644 8.653 ( 1.811 -2.407 -10.124) 10.563 8.826 ( -7.765 -8.788 -6.251) 13.289 9.020 ( 9.363 -10.197 -1.400) 13.914 9.143 ( -7.028 -1.559 6.974) 10.023 9.327 ( 6.486 -3.076 2.510) 7.605 9.420 ( 9.988 -2.700 -0.127) 10.348 9.570 ( 4.767 -1.775 7.237) 8.846 9.644 ( 4.216 -11.284 7.978) 14.448 9.738 ( -0.196 -0.895 -5.277) 5.356 9.849 ( 0.268 0.133 11.928) 11.931 9.888 ( 7.412 4.694 -1.584) 8.915 10.100 ( -1.550 -2.169 -2.499) 3.654 10.363 ( 18.185 -3.247 10.610) 21.302 10.510 ( 0.652 -1.311 -3.442) 3.740 10.753 ( 3.495 -13.802 4.382) 14.897 10.943 ( 18.948 -8.070 8.788) 22.391 11.026 ( 16.455 -4.942 0.396) 17.186 11.133 ( 6.223 -6.038 -0.045) 8.671 11.191 ( 9.208 -13.136 -4.734) 16.726 11.291 ( 3.880 0.300 -8.056) 8.947 11.452 ( 0.989 -9.899 -4.661) 10.986 11.709 ( 5.476 -4.122 -4.921) 8.438 11.884 ( -1.495 -9.932 2.309) 10.306 12.038 ( 9.230 -10.376 -2.062) 14.040 12.123 ( 11.697 -15.202 5.164) 19.864 12.170 ( 15.137 -13.161 -2.156) 20.174 12.244 ( 2.324 -12.845 4.116) 13.687 12.335 ( 0.787 -6.430 -2.639) 6.995 12.415 ( 6.484 -7.288 3.667) 10.421 12.580 ( 9.784 -6.036 2.672) 11.803 12.921 ( 8.800 -4.132 -8.733) 13.068 12.972 ( 17.323 -2.988 -1.142) 17.616 13.214 ( 11.486 -4.602 -9.002) 15.302 13.267 ( -6.782 -2.967 -3.864) 8.351 13.703 ( 2.598 -1.991 -6.976) 7.706 13.826 ( -8.274 0.281 -6.817) 10.725 14.212 ( 2.051 -0.607 8.786) 9.043 14.338 ( -8.688 8.213 0.924) 11.991 14.640 ( -11.017 5.941 8.318) 15.029 14.742 ( -9.704 8.438 4.988) 13.793 14.752 ( -10.917 -0.883 0.232) 10.955 15.026 ( -2.275 3.535 -1.457) 4.450 15.090 ( -4.951 7.056 -0.951) 8.672 15.182 ( -5.974 10.707 -3.375) 12.717 15.423 ( -3.756 2.236 0.008) 4.371 15.510 ( -3.357 5.959 5.961) 9.072 15.566 ( 0.969 0.139 -3.175) 3.323 15.694 ( -1.569 -4.430 9.521) 10.618 15.896 ( -1.435 3.893 10.251) 11.059 16.062 ( -6.883 10.588 -14.425) 19.172 16.222 ( -4.610 8.468 2.037) 9.854 16.270 ( 1.670 9.573 6.861) 11.895 16.541 ( -7.883 5.827 -6.953) 12.019 16.746 ( -10.204 2.941 -1.806) 10.772 16.872 ( -4.517 10.899 -2.423) 12.044 16.976 ( -8.925 8.067 0.697) 12.051 17.104 ( 5.100 -0.186 4.707) 6.943 17.254 ( 8.210 5.799 -4.946) 11.203 17.345 ( -4.459 8.581 3.288) 10.215 17.661 ( 2.166 -1.750 -3.891) 4.785 17.716 ( -6.499 6.440 -6.423) 11.179 17.847 ( 4.689 2.669 10.083) 11.436 17.916 ( -1.180 6.066 -1.663) 6.400 18.095 ( 0.613 -2.085 -0.737) 2.295 18.137 ( -7.070 -3.811 -12.758) 15.076 18.325 ( 3.582 0.808 -0.817) 3.762 18.411 ( 1.752 -1.597 7.717) 8.073 18.619 ( 2.201 -3.646 2.706) 5.046 18.675 ( -5.966 -5.527 0.629) 8.157 18.876 ( -6.559 -3.173 -3.489) 8.078 19.034 ( 2.244 -2.426 -2.442) 4.109 19.096 ( 9.775 1.829 -3.713) 10.615 19.263 ( -3.339 -2.457 -0.944) 4.252 19.442 ( 1.808 7.519 -1.114) 7.813 19.594 ( -3.674 0.915 1.019) 3.921 19.662 ( 0.982 1.045 -3.406) 3.696 19.922 ( -7.680 0.191 -0.348) 7.691 19.968 ( 2.975 4.077 -0.971) 5.140 20.057 ( -4.178 3.049 1.595) 5.413 20.263 ( -2.870 0.140 6.595) 7.194 20.555 ( -7.649 3.486 0.545) 8.424 20.730 ( 3.767 -6.278 7.187) 10.259 21.277 ( 5.396 -1.689 12.450) 13.674 21.720 ( -6.895 0.892 -9.892) 12.090 22.343 ( 4.644 -3.656 -2.065) 6.261 22.720 ( -3.601 2.837 -1.530) 4.833 23.041 ( 6.891 -5.388 0.536) 8.764 23.139 ( -2.182 -1.595 -0.119) 2.705 23.279 ( 2.739 1.247 0.025) 3.010 23.487 ( 2.335 -5.484 5.551) 8.145 23.594 ( 9.251 -6.391 3.531) 11.786 23.646 ( -2.133 1.270 -9.879) 10.186 23.893 ( 0.159 -2.470 -5.018) 5.595 24.483 ( 0.471 0.509 -0.485) 0.846 24.773 ( 4.730 -4.061 1.735) 6.471 25.365 ( -3.713 3.976 10.760) 12.057 25.833 ( 7.291 -9.347 -6.119) 13.340 26.708 ( -8.156 5.507 0.497) 9.853 27.209 ( -3.895 8.948 -2.723) 10.132 ======================= Grid point 84 (29/95) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 28.162 -29.119 -6.965) 41.104 3.204 ( 23.655 -23.659 21.122) 39.566 3.546 ( 35.927 -14.058 -14.223) 41.118 3.927 ( 10.622 -27.886 -23.991) 38.288 5.358 ( -30.309 23.212 -2.446) 38.255 5.466 ( -13.826 11.353 -8.894) 19.979 6.106 ( -9.717 6.161 3.705) 12.087 6.206 ( -7.210 3.259 8.157) 11.363 6.255 ( -13.191 10.689 10.436) 19.929 6.453 ( -2.764 4.953 2.726) 6.293 6.500 ( 8.516 -0.609 20.863) 22.542 6.742 ( -9.585 10.702 -1.980) 14.503 6.904 ( -9.104 17.812 1.461) 20.057 7.118 ( 8.944 -10.629 9.084) 16.598 7.270 ( 9.734 -10.905 11.422) 18.550 7.357 ( 1.926 -2.948 6.617) 7.495 7.503 ( 4.046 -2.844 -1.904) 5.299 7.589 ( -1.568 -4.241 -5.462) 7.091 7.834 ( 2.695 -5.759 -5.473) 8.390 7.993 ( 11.611 -9.057 -14.568) 20.714 8.428 ( 0.426 5.311 2.305) 5.805 8.602 ( -1.653 -0.102 -11.279) 11.400 8.847 ( -4.140 -5.799 -6.284) 9.501 8.987 ( -4.663 5.802 -1.756) 7.648 9.185 ( 0.539 -3.295 -1.972) 3.877 9.345 ( -2.658 5.278 -11.972) 13.351 9.553 ( -2.758 -10.868 6.097) 12.763 9.753 ( 8.421 -0.682 -0.299) 8.454 9.799 ( -2.460 -0.720 1.120) 2.797 9.897 ( 3.443 -5.840 4.058) 7.901 9.975 ( 3.570 1.899 8.777) 9.664 10.027 ( 11.867 -2.744 1.008) 12.222 10.164 ( 12.493 -13.036 1.122) 18.091 10.487 ( -0.066 1.985 -2.731) 3.376 10.773 ( 9.349 -9.308 5.868) 14.439 10.878 ( 10.880 -2.751 -4.702) 12.168 11.176 ( -4.370 1.095 0.096) 4.506 11.254 ( 8.899 1.710 -0.633) 9.084 11.284 ( -0.620 -2.615 -1.290) 2.981 11.429 ( 13.803 -13.784 -1.016) 19.534 11.468 ( 8.717 -9.200 -7.287) 14.619 11.580 ( 3.485 -10.041 2.260) 10.866 11.852 ( 8.119 -9.051 -4.434) 12.942 12.000 ( 2.617 -7.472 7.421) 10.852 12.213 ( 5.804 -8.386 -7.421) 12.613 12.364 ( 4.825 -7.406 2.574) 9.207 12.430 ( 2.907 -10.244 1.682) 10.780 12.528 ( 6.619 0.690 6.491) 9.296 12.646 ( 11.329 -9.340 4.672) 15.408 12.661 ( 11.178 -6.537 13.500) 18.706 12.818 ( 13.287 -10.941 1.281) 17.259 13.058 ( 1.653 -5.925 3.496) 7.076 13.236 ( 8.700 -11.426 -9.224) 17.069 13.333 ( 10.275 -9.510 -4.555) 14.723 13.462 ( 10.442 -2.481 -5.271) 11.957 13.740 ( -2.697 -2.210 -9.319) 9.950 13.812 ( 2.644 -7.870 -8.747) 12.060 14.104 ( -7.019 4.457 -0.909) 8.364 14.284 ( -14.917 10.718 3.377) 18.676 14.291 ( -2.031 1.371 9.716) 10.020 14.526 ( -9.652 5.730 -7.147) 13.307 14.650 ( -5.062 1.476 4.435) 6.890 14.735 ( -13.755 13.029 -10.028) 21.436 14.974 ( 0.297 5.354 0.819) 5.424 15.039 ( -1.303 -0.430 7.777) 7.897 15.355 ( -1.638 9.338 3.024) 9.951 15.456 ( -1.146 4.359 3.352) 5.617 15.497 ( -4.842 5.096 -7.701) 10.427 15.637 ( -4.723 1.355 -5.118) 7.095 15.739 ( -10.470 1.530 12.833) 16.633 15.934 ( -1.387 15.836 1.394) 15.958 15.992 ( -4.135 4.140 9.880) 11.483 16.245 ( -0.215 -0.661 4.220) 4.276 16.361 ( -18.803 14.205 -2.713) 23.722 16.392 ( -3.306 5.657 -4.243) 7.806 16.645 ( 0.016 11.900 0.023) 11.900 16.818 ( -4.852 1.079 -4.086) 6.434 17.042 ( -7.466 9.006 4.168) 12.419 17.094 ( -3.542 13.587 2.698) 14.298 17.327 ( -3.678 3.031 -10.259) 11.312 17.559 ( 14.242 -2.441 -9.460) 17.271 17.698 ( -4.177 1.354 -3.974) 5.923 17.859 ( 1.586 -0.781 -3.251) 3.700 17.948 ( -0.072 0.554 13.826) 13.837 18.010 ( -0.109 0.460 -6.875) 6.891 18.136 ( -1.692 -6.021 -8.011) 10.164 18.240 ( -7.296 0.848 1.430) 7.483 18.580 ( 0.698 2.801 3.416) 4.472 18.601 ( 7.281 -1.258 6.821) 10.056 18.766 ( -6.859 -9.567 -0.661) 11.790 18.918 ( 7.442 -1.124 6.506) 9.949 19.096 ( 3.240 0.002 0.432) 3.268 19.168 ( 4.752 -1.058 -1.677) 5.149 19.198 ( -6.293 -0.495 0.583) 6.339 19.390 ( 2.224 3.822 -3.702) 5.767 19.551 ( -2.734 -1.105 -3.352) 4.465 19.683 ( 2.578 0.415 -1.008) 2.799 19.828 ( -6.057 -1.784 1.077) 6.405 19.900 ( 0.011 3.503 -1.844) 3.959 20.015 ( -2.245 -0.502 1.426) 2.707 20.254 ( -3.027 1.677 4.509) 5.684 20.385 ( -5.568 5.820 1.529) 8.198 20.876 ( 2.727 -3.194 6.015) 7.336 21.379 ( -2.443 1.688 6.418) 7.072 21.559 ( 0.347 1.914 -8.926) 9.136 22.482 ( 4.763 -5.914 -1.184) 7.685 22.639 ( -1.012 1.692 -4.129) 4.576 23.132 ( -1.838 -1.445 -0.124) 2.341 23.233 ( 5.297 -5.677 2.672) 8.211 23.300 ( 3.575 2.137 0.034) 4.165 23.487 ( -3.303 3.300 2.467) 5.280 23.580 ( -3.647 -3.514 -7.356) 8.931 23.805 ( 6.138 -4.901 -3.398) 8.559 23.949 ( 4.734 -3.052 2.134) 6.023 24.536 ( 3.130 -4.613 -1.151) 5.692 24.887 ( 1.581 -2.188 4.920) 5.612 25.243 ( -6.241 7.617 6.128) 11.598 26.050 ( 7.511 -8.396 -3.513) 11.801 26.555 ( -4.032 3.070 -1.625) 5.322 27.015 ( -5.780 7.784 -0.283) 9.699 ======================= Grid point 85 (30/95) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.781 ( 22.544 -15.750 -7.276) 28.447 4.011 ( 26.419 -25.571 18.114) 40.987 4.130 ( 20.377 -17.590 -14.399) 30.528 4.561 ( 4.429 -8.874 -7.941) 12.705 4.575 ( -4.312 3.205 3.706) 6.527 5.013 ( -15.175 10.971 -14.362) 23.598 5.684 ( -24.172 12.066 -5.045) 27.483 5.820 ( -14.935 16.603 0.320) 22.335 6.019 ( -11.414 11.412 -2.976) 16.413 6.258 ( -18.229 11.747 9.326) 23.607 6.377 ( -0.644 1.636 5.476) 5.752 6.610 ( 2.450 2.786 -3.581) 5.156 6.815 ( 6.967 3.256 34.154) 35.009 7.056 ( -2.643 2.909 -0.374) 3.948 7.288 ( -0.877 2.667 4.903) 5.650 7.518 ( -2.097 -0.356 -8.474) 8.736 7.625 ( 4.486 -2.939 1.072) 5.469 7.975 ( 5.459 -5.179 1.567) 7.686 8.208 ( 3.994 -0.683 -2.270) 4.645 8.343 ( 3.910 -4.587 -14.803) 15.984 8.484 ( 2.474 -4.063 -1.363) 4.949 8.576 ( 20.649 -17.793 15.369) 31.292 8.798 ( -1.583 -2.116 -0.182) 2.649 8.835 ( -4.440 2.011 -3.833) 6.201 9.139 ( -3.311 0.063 -7.323) 8.037 9.259 ( -1.596 -3.188 -8.666) 9.371 9.616 ( -3.640 3.287 2.208) 5.379 9.735 ( 2.443 -1.837 -2.453) 3.919 9.832 ( 3.438 4.726 -0.684) 5.884 9.929 ( -5.310 -1.532 -1.942) 5.858 10.049 ( 4.707 -6.630 7.297) 10.925 10.123 ( 2.720 -2.004 2.936) 4.476 10.429 ( 2.018 0.422 -2.664) 3.368 10.559 ( 3.134 -6.972 0.851) 7.691 10.905 ( 6.241 -6.515 -4.815) 10.226 11.062 ( 6.930 0.414 -4.389) 8.213 11.145 ( -1.884 0.579 2.457) 3.150 11.260 ( 2.600 1.492 11.841) 12.214 11.373 ( 4.388 -0.128 0.706) 4.446 11.499 ( 1.086 3.518 3.788) 5.282 11.700 ( 1.018 -4.918 2.608) 5.659 11.784 ( 6.626 -4.551 -4.551) 9.237 12.000 ( -3.214 -5.525 -9.336) 11.314 12.264 ( 11.721 -2.089 6.278) 13.460 12.371 ( -6.361 1.940 -5.614) 8.703 12.466 ( -1.081 3.283 3.165) 4.686 12.524 ( -0.773 -8.555 -0.789) 8.626 12.598 ( 2.918 -3.516 0.431) 4.589 12.827 ( 3.857 -3.521 8.865) 10.289 12.847 ( 16.268 -1.176 2.099) 16.445 13.203 ( 0.674 -4.146 -3.741) 5.625 13.286 ( 0.380 -9.530 4.280) 10.454 13.316 ( -8.717 7.438 -10.001) 15.209 13.513 ( -0.750 -3.090 -8.454) 9.032 13.596 ( 15.346 -13.271 11.314) 23.230 13.625 ( 10.095 -7.807 -9.692) 16.025 13.939 ( 6.270 -4.853 -3.962) 8.864 13.958 ( -13.039 4.946 -6.017) 15.189 14.077 ( -4.175 -2.178 -0.769) 4.771 14.189 ( -3.380 0.231 0.874) 3.499 14.441 ( -3.453 5.640 1.690) 6.826 14.522 ( 4.896 -2.990 -0.352) 5.748 14.634 ( -0.742 3.228 10.530) 11.038 14.860 ( -8.239 10.080 -4.771) 13.865 14.996 ( -0.634 6.274 9.715) 11.582 15.150 ( -4.822 6.327 2.567) 8.359 15.306 ( -3.678 1.695 -7.321) 8.366 15.408 ( -1.490 0.083 -2.752) 3.131 15.595 ( -6.715 0.258 -3.307) 7.489 15.637 ( 3.018 -0.066 1.142) 3.228 15.754 ( -3.305 7.409 8.061) 11.436 15.909 ( -5.714 7.123 0.036) 9.132 16.044 ( -5.273 2.902 15.358) 16.496 16.161 ( -7.605 4.524 -4.245) 9.815 16.372 ( 5.251 -1.452 -0.302) 5.456 16.548 ( 1.534 2.080 -2.540) 3.624 16.728 ( -2.363 2.473 -0.614) 3.475 16.859 ( -0.213 8.091 3.914) 8.991 16.942 ( -0.262 5.193 3.857) 6.474 17.200 ( -3.830 -1.888 -12.736) 13.433 17.554 ( -6.437 0.930 -11.115) 12.879 17.787 ( 8.551 -0.841 -11.947) 14.716 17.843 ( 3.525 1.874 2.009) 4.469 17.938 ( 3.389 3.315 0.028) 4.741 18.025 ( -5.736 -5.579 1.459) 8.133 18.169 ( 0.705 0.660 3.183) 3.327 18.235 ( -4.952 -11.562 2.691) 12.863 18.530 ( 0.635 5.870 4.468) 7.405 18.752 ( 2.560 -1.649 -0.902) 3.175 18.771 ( -2.055 -3.579 2.090) 4.627 18.999 ( 7.742 9.576 3.167) 12.715 19.090 ( -2.524 0.884 -3.693) 4.560 19.188 ( -1.806 -5.742 6.710) 9.014 19.267 ( 0.803 -4.427 4.715) 6.517 19.350 ( 1.094 0.723 -4.738) 4.916 19.509 ( 0.175 1.132 -3.593) 3.771 19.701 ( -0.875 -1.353 2.435) 2.920 19.824 ( -0.533 -0.898 1.853) 2.127 19.887 ( 2.353 -0.135 -2.682) 3.570 20.007 ( -0.243 -0.049 -0.568) 0.620 20.142 ( -4.764 4.276 3.366) 7.232 20.300 ( -2.019 1.777 1.495) 3.077 20.941 ( 0.637 0.073 3.411) 3.470 21.252 ( -3.706 4.627 -5.299) 7.951 21.598 ( 1.861 -2.518 1.073) 3.310 22.565 ( 0.133 -0.812 -7.660) 7.704 22.642 ( 2.885 -2.973 1.489) 4.402 23.128 ( -0.693 -0.558 -0.072) 0.893 23.293 ( -3.875 0.164 3.602) 5.293 23.309 ( 2.226 2.538 0.297) 3.389 23.415 ( -1.852 1.712 -2.427) 3.500 23.611 ( 2.735 -5.700 -2.029) 6.640 23.901 ( 4.005 -2.109 -1.779) 4.863 24.073 ( 4.162 -3.053 -1.876) 5.492 24.660 ( 3.819 -3.817 1.753) 5.677 24.857 ( -7.303 6.056 9.487) 13.417 25.111 ( -1.815 2.247 -0.215) 2.896 26.213 ( 3.995 -4.432 -2.861) 6.617 26.508 ( 0.731 -0.857 -2.540) 2.778 26.844 ( -4.728 5.377 1.231) 7.265 ======================= Grid point 86 (31/95) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( -28.285 30.106 1.002) 41.321 4.249 ( -0.195 -0.123 -1.911) 1.925 4.605 ( -2.483 8.970 -9.910) 13.595 4.627 ( -9.318 5.966 -9.756) 14.752 4.808 ( 8.186 -6.499 -2.365) 10.717 4.937 ( 23.742 -20.640 14.229) 34.528 5.242 ( -18.187 -1.275 -23.326) 29.606 5.695 ( 17.482 -15.638 7.502) 24.626 5.831 ( 1.408 3.364 3.983) 5.400 6.151 ( 4.103 -6.118 8.440) 11.203 6.481 ( 8.759 -5.697 0.359) 10.455 6.687 ( 2.232 -4.779 5.020) 7.281 6.956 ( -5.852 7.916 -2.766) 10.225 7.043 ( 1.185 -3.249 17.782) 18.115 7.244 ( -5.026 10.989 5.516) 13.284 7.373 ( 0.301 7.651 2.642) 8.100 7.672 ( -2.828 2.120 0.108) 3.536 7.854 ( -8.994 7.443 -2.631) 11.967 7.999 ( -3.044 6.513 1.643) 7.374 8.260 ( -1.846 -0.670 1.217) 2.310 8.469 ( -2.591 0.806 -4.308) 5.092 8.730 ( -1.444 0.135 -5.674) 5.857 8.870 ( 2.806 -5.495 -4.808) 7.822 9.028 ( 0.606 -0.899 -13.886) 13.929 9.218 ( 6.022 -0.704 3.869) 7.192 9.268 ( 0.274 -6.571 -3.910) 7.651 9.588 ( 5.544 2.211 4.611) 7.542 9.780 ( -10.041 -3.386 0.338) 10.602 9.786 ( 2.484 1.547 1.791) 3.431 9.877 ( -4.549 0.924 1.994) 5.052 10.190 ( 3.105 1.682 1.620) 3.886 10.278 ( 4.723 -9.385 -0.964) 10.550 10.472 ( -0.422 -1.866 -3.650) 4.120 10.495 ( -9.323 3.340 1.966) 10.097 10.895 ( -15.606 21.010 1.553) 26.218 11.023 ( 1.516 5.953 -8.575) 10.548 11.229 ( -0.514 7.553 10.050) 12.583 11.232 ( 7.916 -3.590 3.418) 9.340 11.362 ( -6.168 3.284 0.796) 7.033 11.489 ( 0.294 -0.237 5.256) 5.270 11.690 ( -11.343 5.988 -3.879) 13.401 11.783 ( 5.042 5.339 0.631) 7.371 11.817 ( -3.703 1.180 -3.725) 5.383 12.204 ( 5.840 -0.772 -6.233) 8.576 12.385 ( -5.109 10.039 -1.792) 11.406 12.413 ( -3.527 5.222 -0.375) 6.313 12.451 ( -13.100 -2.229 3.162) 13.659 12.613 ( -0.589 5.468 1.312) 5.654 12.871 ( -6.360 0.949 6.389) 9.065 12.956 ( 0.179 -2.071 1.927) 2.834 13.053 ( -2.547 5.839 -0.852) 6.427 13.066 ( -10.187 7.232 8.377) 15.042 13.426 ( 2.668 -1.765 -7.214) 7.891 13.524 ( -9.338 -0.263 -12.388) 15.516 13.634 ( 0.587 2.787 -3.365) 4.409 13.775 ( -6.448 0.535 -3.275) 7.252 13.943 ( 4.773 1.497 0.439) 5.021 13.998 ( 0.080 -1.100 -7.522) 7.603 14.107 ( -2.276 2.688 -1.442) 3.806 14.368 ( 9.803 -9.021 11.515) 17.609 14.438 ( 5.500 -7.225 -1.065) 9.142 14.543 ( -0.691 4.673 3.544) 5.905 14.664 ( 2.867 -3.639 -0.414) 4.651 14.766 ( 9.906 -8.268 6.838) 14.603 14.947 ( 3.800 2.749 -1.946) 5.078 15.117 ( 2.934 -2.906 -0.599) 4.173 15.300 ( -0.861 -1.357 -1.799) 2.412 15.512 ( 2.283 -0.953 -1.162) 2.734 15.529 ( 3.685 -12.867 -4.637) 14.165 15.665 ( 2.494 2.431 4.525) 5.710 15.703 ( -0.822 2.375 9.842) 10.158 15.842 ( 1.751 -5.583 -2.671) 6.432 16.011 ( -3.506 -2.045 -1.338) 4.274 16.162 ( 7.228 -2.105 11.763) 13.965 16.431 ( 2.334 -2.855 -0.404) 3.709 16.576 ( 0.202 0.246 4.201) 4.213 16.710 ( 7.708 6.797 -8.263) 13.187 16.816 ( -2.700 -9.619 -1.318) 10.077 17.010 ( 4.697 -3.461 11.122) 12.560 17.183 ( 4.092 -1.868 -12.109) 12.917 17.424 ( -5.762 -3.284 -11.662) 13.416 17.711 ( -2.173 1.096 -6.546) 6.984 17.892 ( -0.305 2.000 -0.601) 2.110 17.986 ( -3.157 -4.431 -1.055) 5.542 18.022 ( -0.662 -3.842 -2.872) 4.843 18.203 ( 4.088 2.198 2.543) 5.292 18.317 ( -1.402 -3.790 2.410) 4.705 18.473 ( -1.010 4.772 4.791) 6.837 18.711 ( -0.966 3.254 -0.546) 3.438 18.803 ( -1.307 1.760 4.447) 4.958 18.975 ( -1.144 5.091 3.014) 6.026 19.030 ( 1.887 -1.603 -1.653) 2.977 19.279 ( 2.030 -4.123 -0.417) 4.614 19.321 ( -1.036 0.427 3.617) 3.787 19.381 ( -0.019 -3.897 -0.798) 3.978 19.511 ( 6.225 3.117 -3.944) 8.002 19.725 ( -0.222 -0.963 3.670) 3.801 19.835 ( -0.819 3.992 0.390) 4.094 19.844 ( -1.648 -1.147 1.041) 2.261 20.011 ( -0.176 -0.668 -2.173) 2.280 20.161 ( 6.431 -3.210 2.161) 7.506 20.258 ( -2.635 0.868 2.696) 3.868 20.937 ( -1.212 0.833 0.737) 1.644 21.153 ( -2.355 0.730 -2.563) 3.556 21.651 ( 1.869 -0.880 0.357) 2.096 22.508 ( -2.263 0.645 -7.165) 7.541 22.727 ( 2.274 -1.814 1.038) 3.089 23.126 ( 0.014 0.268 -0.077) 0.279 23.211 ( -3.677 3.891 1.730) 5.626 23.307 ( -0.974 -0.561 0.011) 1.124 23.376 ( 0.196 1.500 0.444) 1.577 23.729 ( 3.290 -5.489 -3.894) 7.491 23.979 ( 3.265 -1.248 0.232) 3.503 24.096 ( -1.358 0.514 -5.557) 5.744 24.581 ( -4.568 12.766 5.902) 14.788 24.818 ( -1.396 -1.730 7.818) 8.128 25.105 ( -0.077 -2.797 -0.326) 2.817 26.243 ( -1.366 1.295 -2.421) 3.066 26.537 ( 1.572 -1.722 -3.588) 4.279 26.795 ( 1.613 -1.718 2.022) 3.105 ======================= Grid point 87 (32/95) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -30.687 30.869 9.603) 44.573 3.564 ( -38.558 38.984 -14.930) 56.828 4.122 ( -1.896 10.737 -23.350) 25.771 4.633 ( -15.365 -8.635 -10.381) 20.455 4.806 ( -2.063 8.660 4.483) 9.968 5.279 ( 8.405 -9.566 2.281) 12.936 5.731 ( 28.239 -20.674 10.785) 36.622 5.760 ( -42.722 35.438 14.506) 57.371 6.022 ( 16.094 -4.344 0.329) 16.673 6.321 ( 8.540 -13.541 5.674) 16.985 6.571 ( 14.795 -13.572 6.312) 21.046 6.772 ( 13.054 -7.964 2.179) 15.446 7.053 ( 15.263 -15.350 -1.905) 21.730 7.169 ( 7.327 -4.977 -0.976) 8.911 7.275 ( 5.371 -2.756 4.560) 7.566 7.431 ( 3.729 1.276 8.723) 9.572 7.653 ( -0.201 -5.183 0.238) 5.192 7.727 ( -8.475 -0.381 2.549) 8.858 7.888 ( 2.896 5.228 -3.910) 7.142 8.274 ( -5.207 -0.757 3.995) 6.606 8.388 ( -0.747 3.740 5.618) 6.791 8.675 ( 1.208 0.016 -12.985) 13.041 8.841 ( -2.680 -0.944 -8.217) 8.694 9.041 ( -4.584 13.840 -16.435) 21.970 9.211 ( 3.687 -2.325 -5.496) 7.015 9.282 ( -2.092 -0.799 -5.649) 6.077 9.547 ( -2.796 8.895 3.058) 9.813 9.644 ( -15.776 -3.744 4.089) 16.722 9.762 ( -1.428 2.133 0.331) 2.588 9.780 ( -3.294 7.989 3.203) 9.216 10.061 ( -7.738 8.330 -3.974) 12.044 10.182 ( -16.646 9.294 7.082) 20.338 10.260 ( -14.930 15.822 5.002) 22.322 10.343 ( 0.689 7.364 8.602) 11.345 10.519 ( -5.210 -1.147 -0.843) 5.401 10.911 ( -4.574 8.265 -1.166) 9.518 11.048 ( -11.082 12.759 -2.906) 17.148 11.182 ( -3.414 9.606 -5.615) 11.638 11.259 ( -0.019 5.567 -1.073) 5.670 11.461 ( -3.174 10.585 0.488) 11.061 11.532 ( -8.368 -3.954 1.636) 9.398 11.654 ( -1.339 0.450 -0.943) 1.698 11.673 ( -5.872 6.174 -3.899) 9.370 12.092 ( -5.822 12.943 -2.888) 14.483 12.281 ( 1.234 6.415 3.134) 7.246 12.314 ( -8.054 6.665 1.077) 10.509 12.426 ( -16.492 -2.307 3.202) 16.957 12.539 ( 2.838 0.505 8.362) 8.845 12.691 ( -12.795 12.797 4.794) 18.721 12.852 ( -6.825 2.711 9.038) 11.646 12.912 ( -2.937 7.038 1.799) 7.836 12.977 ( -2.272 -0.412 2.624) 3.496 13.269 ( -13.223 6.993 -1.826) 15.069 13.428 ( -9.320 -0.420 -8.404) 12.556 13.542 ( 8.212 3.568 -4.907) 10.210 13.615 ( 2.567 10.331 -13.150) 16.919 13.816 ( -6.055 1.060 -8.018) 10.103 13.931 ( 0.416 2.696 -6.290) 6.856 14.155 ( 3.758 -3.256 7.570) 9.057 14.466 ( 3.964 -2.695 -5.526) 7.315 14.583 ( 2.910 -6.179 2.007) 7.119 14.699 ( 13.668 -5.413 2.869) 14.978 14.857 ( 8.601 -3.708 10.018) 13.714 14.978 ( -1.296 -3.639 -7.436) 8.380 15.058 ( 1.298 -9.495 3.464) 10.190 15.271 ( -3.773 -2.343 -3.719) 5.792 15.360 ( 7.868 -10.485 0.493) 13.118 15.519 ( 6.445 1.832 3.798) 7.702 15.566 ( -1.233 2.686 3.773) 4.793 15.727 ( 4.918 1.615 8.135) 9.642 15.963 ( 6.525 -15.309 0.064) 16.642 16.048 ( 5.301 -9.096 0.269) 10.532 16.140 ( 12.095 -12.358 1.014) 17.322 16.405 ( 13.823 -4.231 7.283) 16.187 16.478 ( -2.542 4.955 -5.460) 7.799 16.593 ( 4.862 -8.363 1.752) 9.832 16.782 ( 7.199 -5.623 -3.001) 9.615 16.934 ( 4.043 -3.774 -6.085) 8.223 17.206 ( -3.019 -12.495 6.764) 14.526 17.231 ( 3.537 -4.609 -3.374) 6.718 17.398 ( -0.959 -4.639 -3.865) 6.114 17.702 ( 0.098 -6.777 -8.612) 10.959 17.821 ( -3.343 -2.067 -4.952) 6.322 17.980 ( 0.946 1.635 -1.148) 2.210 18.049 ( -1.304 -2.803 -2.588) 4.031 18.212 ( 4.759 6.365 -1.245) 8.045 18.332 ( -2.097 -2.312 -0.845) 3.234 18.421 ( -6.903 -2.571 7.957) 10.843 18.666 ( 7.281 9.213 1.181) 11.802 18.746 ( -4.883 1.709 3.981) 6.528 18.961 ( 5.056 1.122 3.364) 6.175 19.119 ( 1.894 -5.019 0.597) 5.397 19.236 ( -5.068 6.681 1.835) 8.584 19.329 ( -1.145 -2.442 -3.282) 4.248 19.402 ( -1.909 0.517 -2.970) 3.569 19.534 ( 9.288 5.269 -2.763) 11.030 19.692 ( -2.926 2.934 -1.958) 4.583 19.829 ( 4.031 -2.590 3.077) 5.694 19.914 ( 0.821 -4.018 1.577) 4.394 19.991 ( -0.457 -0.074 -3.238) 3.271 20.230 ( -1.445 0.167 7.025) 7.174 20.354 ( 8.041 -5.144 1.813) 9.716 20.897 ( -3.590 0.484 1.670) 3.989 21.133 ( -3.938 -2.970 3.625) 6.121 21.693 ( 5.524 0.024 -3.293) 6.431 22.454 ( -0.546 0.009 -3.257) 3.302 22.750 ( 0.395 1.083 -2.366) 2.631 23.089 ( -2.292 4.113 0.513) 4.736 23.144 ( -0.339 0.684 0.393) 0.859 23.297 ( -2.380 -1.273 0.024) 2.700 23.373 ( 1.658 1.997 2.286) 3.458 23.816 ( 1.842 -4.840 -6.566) 8.362 23.872 ( -10.185 7.489 -3.914) 13.234 24.092 ( 1.933 -0.624 0.526) 2.099 24.414 ( -0.290 7.830 1.213) 7.928 24.791 ( -3.686 4.599 6.939) 9.104 25.169 ( -0.004 -3.584 4.194) 5.517 26.129 ( -5.297 5.632 -2.397) 8.095 26.598 ( 3.930 -4.575 -2.738) 6.623 26.911 ( 4.930 -5.171 0.469) 7.160 ======================= Grid point 88 (33/95) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -29.923 27.141 22.941) 46.458 2.350 ( -40.325 44.640 -11.224) 61.195 3.859 ( 2.442 10.489 -36.383) 37.944 4.053 ( -47.352 51.065 19.026) 72.193 4.397 ( -22.546 -4.116 -30.409) 38.079 5.230 ( -1.127 -8.094 31.974) 33.001 5.521 ( 11.725 1.893 20.493) 23.686 6.265 ( 7.222 0.080 4.786) 8.664 6.345 ( 11.264 -10.832 2.242) 15.788 6.601 ( 0.054 -5.903 0.459) 5.921 6.972 ( 5.651 3.007 2.127) 6.746 7.051 ( 12.691 -17.057 0.822) 21.276 7.255 ( 10.160 -4.896 -9.010) 14.435 7.359 ( 8.329 -4.506 -2.809) 9.877 7.500 ( 9.528 -4.916 0.157) 10.723 7.635 ( -1.403 -5.643 -4.429) 7.310 7.695 ( 6.349 -7.441 -5.252) 11.102 7.780 ( 4.000 -7.170 -5.225) 9.732 7.873 ( -0.402 -3.485 7.203) 8.012 8.150 ( -11.325 7.851 -12.880) 18.863 8.291 ( -6.103 1.883 -9.988) 11.856 8.461 ( 5.693 5.431 7.760) 11.051 8.697 ( 7.417 0.120 -10.799) 13.101 8.947 ( 6.602 -0.292 -0.825) 6.660 9.130 ( -9.482 0.418 -1.058) 9.550 9.351 ( -2.097 -5.608 4.568) 7.531 9.440 ( -10.205 8.150 8.703) 15.694 9.488 ( -5.670 17.215 3.072) 18.383 9.590 ( 7.817 9.152 0.880) 12.068 9.700 ( -6.516 -8.398 1.371) 10.717 9.853 ( -18.249 -5.119 4.008) 19.373 9.956 ( -1.673 8.427 6.571) 10.816 10.046 ( -0.360 6.429 8.978) 11.048 10.254 ( 0.133 8.709 10.561) 13.690 10.446 ( -5.856 -0.527 -5.099) 7.783 10.551 ( -5.230 12.661 8.051) 15.890 10.857 ( -4.624 3.746 -6.414) 8.749 10.985 ( -7.829 8.446 -3.993) 12.189 11.121 ( -9.309 5.242 0.670) 10.704 11.239 ( -4.804 16.341 -0.177) 17.033 11.388 ( -19.291 -2.770 -6.483) 20.539 11.541 ( -2.753 5.159 -3.734) 6.938 11.666 ( 1.169 3.961 -3.525) 5.430 11.824 ( -5.130 6.011 -0.714) 7.935 11.989 ( -14.943 9.521 0.258) 17.721 12.096 ( -7.272 15.216 6.891) 18.218 12.206 ( -10.212 4.545 2.862) 11.538 12.374 ( -7.855 18.219 0.589) 19.849 12.452 ( -13.122 8.795 -4.875) 16.531 12.594 ( -9.189 5.135 2.705) 10.869 12.704 ( -11.005 12.247 4.677) 17.116 12.860 ( -7.830 6.187 -3.698) 10.643 12.950 ( -5.449 6.342 -4.816) 9.649 13.317 ( -5.687 10.142 -15.958) 19.745 13.524 ( -0.286 -3.604 0.821) 3.707 13.690 ( 8.233 -5.615 -9.305) 13.634 13.795 ( 6.584 -2.028 -4.153) 8.044 14.053 ( 9.977 -7.943 1.706) 12.866 14.434 ( 15.822 -9.439 15.652) 24.174 14.524 ( 4.140 -1.153 -0.507) 4.328 14.715 ( 3.651 -4.439 4.990) 7.612 14.845 ( -5.026 -1.307 -9.459) 10.791 15.006 ( 0.885 -7.210 0.669) 7.295 15.088 ( 6.357 -6.393 -1.703) 9.175 15.154 ( -1.800 -6.854 10.836) 12.947 15.296 ( 1.979 -10.101 -3.557) 10.891 15.486 ( -3.461 -3.518 2.943) 5.746 15.575 ( 3.718 -0.978 -0.327) 3.858 15.618 ( 6.091 1.259 6.689) 9.134 15.878 ( 13.056 4.943 2.099) 14.117 16.099 ( -2.093 -0.992 4.922) 5.440 16.197 ( -3.501 5.381 3.844) 7.482 16.299 ( 9.716 -3.370 -2.239) 10.524 16.585 ( 10.817 -14.822 -4.832) 18.975 16.645 ( 6.271 -2.269 -2.380) 7.081 16.769 ( 2.469 -5.955 -4.410) 7.810 16.936 ( 3.421 -5.419 -5.230) 8.272 17.025 ( 4.267 -5.546 5.431) 8.858 17.179 ( -11.008 -3.738 1.735) 11.754 17.436 ( 5.143 -12.333 1.141) 13.411 17.558 ( 5.748 -6.273 8.227) 11.835 17.734 ( 0.594 -6.024 -10.402) 12.035 17.935 ( 4.485 7.169 -3.190) 9.038 17.968 ( 6.190 -14.096 -4.946) 16.170 18.035 ( -5.273 -3.835 -9.167) 11.249 18.179 ( 2.140 2.476 -0.090) 3.274 18.348 ( -5.909 -8.827 -1.113) 10.680 18.449 ( -1.752 -3.985 11.657) 12.444 18.663 ( 12.096 12.139 -1.187) 17.178 18.677 ( -2.199 3.473 1.813) 4.493 19.021 ( -4.838 8.911 -2.272) 10.391 19.062 ( 2.823 -0.220 3.635) 4.608 19.215 ( -1.747 -2.564 -9.341) 9.843 19.244 ( -2.502 6.543 -2.705) 7.509 19.319 ( -1.139 -0.392 -0.118) 1.210 19.595 ( -3.583 2.814 -0.729) 4.614 19.641 ( 9.036 -1.510 -0.770) 9.194 19.922 ( 6.058 2.997 1.737) 6.979 19.969 ( 0.049 -6.194 -1.005) 6.275 20.039 ( 4.443 -2.823 -2.463) 5.812 20.262 ( -1.734 -1.929 10.316) 10.637 20.489 ( 3.109 -0.131 -0.966) 3.258 20.869 ( -3.873 -3.190 6.085) 7.887 21.128 ( -7.415 -3.046 9.058) 12.096 21.827 ( 12.960 -5.106 -5.510) 14.979 22.470 ( 2.816 -0.084 -0.631) 2.888 22.694 ( -1.112 2.017 -4.410) 4.975 23.001 ( -1.854 4.420 0.912) 4.879 23.144 ( 0.174 -0.147 -0.034) 0.231 23.278 ( -2.974 -1.541 0.050) 3.350 23.381 ( 1.474 2.310 3.195) 4.209 23.569 ( -10.721 9.694 -1.749) 14.559 23.863 ( -0.120 -3.334 -6.574) 7.372 24.084 ( -1.934 1.180 -4.388) 4.938 24.347 ( 0.060 3.001 2.297) 3.779 24.687 ( -3.245 5.357 3.277) 7.069 25.203 ( -1.569 1.938 8.350) 8.714 25.950 ( -5.536 6.217 -3.520) 9.038 26.746 ( 5.901 -6.962 -0.389) 9.135 27.034 ( 3.905 -2.770 -1.668) 5.070 ======================= Grid point 89 (34/95) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -38.728 17.698 23.350) 48.562 1.420 ( -9.966 32.013 46.891) 57.645 2.622 ( -56.764 55.881 57.269) 98.105 3.736 ( 16.799 4.354 -49.859) 52.793 4.080 ( -14.443 -8.481 -44.697) 47.732 5.572 ( 0.681 -14.132 26.888) 30.383 5.739 ( 10.139 3.470 23.176) 25.533 6.187 ( -24.608 17.760 -33.363) 45.100 6.276 ( -0.763 3.655 0.930) 3.847 6.375 ( -9.069 13.719 -3.617) 16.839 6.847 ( -1.009 -1.748 -0.426) 2.063 7.200 ( -4.128 0.083 -8.593) 9.533 7.425 ( 5.937 -7.133 -3.011) 9.757 7.559 ( 7.390 -4.566 -1.443) 8.806 7.620 ( 1.253 -1.255 -1.731) 2.479 7.703 ( 6.546 5.081 3.403) 8.958 7.762 ( 3.494 -8.878 -1.780) 9.705 7.902 ( -3.396 7.852 3.218) 9.141 8.027 ( 13.191 -14.196 -5.031) 20.021 8.193 ( 11.484 -15.744 -1.007) 19.513 8.474 ( -4.016 -9.383 -3.788) 10.886 8.590 ( 18.604 4.408 8.202) 20.804 8.737 ( -0.280 -4.472 -1.300) 4.665 8.981 ( 6.160 -3.192 -0.942) 7.001 9.089 ( -0.138 4.948 0.966) 5.044 9.234 ( -1.923 -6.802 2.126) 7.382 9.438 ( 0.796 -0.776 12.031) 12.082 9.477 ( 11.276 2.952 10.401) 15.622 9.531 ( 1.170 2.073 4.516) 5.105 9.644 ( -16.094 -0.913 1.864) 16.228 9.877 ( -0.549 -13.349 -2.994) 13.692 9.923 ( 3.890 4.396 12.268) 13.600 10.081 ( 1.673 -0.931 6.454) 6.732 10.269 ( 6.548 1.783 -3.035) 7.434 10.368 ( -3.985 -3.749 0.026) 5.471 10.489 ( 2.789 6.232 5.510) 8.774 10.632 ( -14.481 7.862 -2.042) 16.603 10.709 ( -13.664 5.626 2.843) 15.048 10.842 ( -18.397 9.957 -4.705) 21.441 10.869 ( -6.492 15.298 0.980) 16.647 11.081 ( -17.340 0.103 -8.772) 19.433 11.423 ( -2.467 2.772 1.000) 3.843 11.531 ( -8.579 1.634 -1.361) 8.838 11.681 ( -9.368 5.838 -1.993) 11.216 11.698 ( -4.526 15.280 6.626) 17.259 11.835 ( -8.467 10.414 -4.911) 14.292 11.991 ( 1.405 8.348 -7.229) 11.133 12.060 ( -3.339 8.089 -1.000) 8.808 12.204 ( -9.000 5.316 1.772) 10.602 12.222 ( -9.839 17.061 -4.828) 20.278 12.636 ( -0.222 -0.276 6.187) 6.197 12.721 ( -3.138 0.348 -9.244) 9.768 12.806 ( -0.376 4.890 -6.363) 8.034 13.078 ( -3.141 2.862 -12.474) 13.178 13.520 ( -4.403 -0.510 3.161) 5.445 13.728 ( 5.152 0.516 -16.810) 17.590 13.961 ( 6.592 -1.453 3.313) 7.519 14.298 ( 9.481 -5.485 3.922) 11.634 14.608 ( 10.967 -4.214 6.835) 13.592 14.690 ( -4.432 0.159 -11.123) 11.974 14.834 ( 0.828 -4.703 7.343) 8.760 14.886 ( 2.541 -2.678 10.257) 10.901 15.123 ( -3.831 -15.508 -0.761) 15.992 15.206 ( 4.693 -9.429 1.150) 10.594 15.306 ( 1.014 -7.127 16.919) 18.387 15.444 ( -5.163 -4.009 0.052) 6.537 15.567 ( 1.548 -0.718 -0.375) 1.747 15.625 ( -1.386 1.769 -8.129) 8.434 15.670 ( 12.179 -3.277 0.775) 12.635 15.869 ( 1.225 6.008 0.601) 6.161 16.022 ( 4.232 10.860 9.615) 15.109 16.152 ( 1.383 7.590 17.061) 18.724 16.532 ( 9.109 2.318 3.690) 10.098 16.600 ( 1.282 -7.997 -3.909) 8.993 16.826 ( 0.646 -6.729 -6.646) 9.480 16.939 ( 5.763 -2.936 -9.878) 11.807 17.014 ( 8.152 -8.962 4.666) 12.982 17.146 ( -4.429 -12.927 2.037) 13.816 17.261 ( 5.250 -5.261 7.366) 10.464 17.483 ( -4.783 4.121 -0.777) 6.361 17.686 ( 6.549 -0.556 -2.125) 6.908 17.880 ( -7.244 -0.056 -12.201) 14.190 17.915 ( 4.904 2.991 -2.863) 6.418 17.985 ( 11.484 -2.413 2.987) 12.109 18.113 ( -13.109 -16.171 -12.316) 24.188 18.255 ( -8.376 -8.749 3.428) 12.587 18.357 ( -0.162 -4.836 -6.163) 7.836 18.502 ( -4.638 4.827 8.554) 10.862 18.589 ( -3.096 2.783 -0.994) 4.280 18.615 ( 16.002 17.978 -0.056) 24.068 18.847 ( -1.966 8.428 -6.697) 10.943 18.973 ( -6.402 6.915 -8.351) 12.591 18.994 ( -5.021 4.377 -2.341) 7.061 19.257 ( 0.230 -0.284 -7.426) 7.435 19.372 ( 5.374 -0.252 5.973) 8.039 19.532 ( -2.957 -0.001 5.503) 6.247 19.834 ( 8.745 -7.242 1.753) 11.489 19.998 ( 3.713 -3.017 -1.076) 4.904 20.041 ( 2.803 -1.400 2.116) 3.781 20.123 ( 6.537 0.474 -5.168) 8.346 20.312 ( -2.891 -3.206 8.037) 9.123 20.440 ( -1.932 4.354 -1.330) 4.945 20.910 ( -6.196 -3.394 10.469) 12.630 21.114 ( -3.344 -4.544 2.854) 6.323 22.121 ( 13.049 -9.476 -7.967) 17.987 22.453 ( -5.948 -1.880 -10.603) 12.302 22.718 ( 2.099 -3.022 6.408) 7.389 22.928 ( 0.167 2.541 -0.742) 2.652 23.148 ( 0.184 -0.171 -0.126) 0.281 23.260 ( -2.676 -1.447 0.125) 3.044 23.283 ( -5.900 7.954 1.392) 10.001 23.377 ( -6.131 2.741 -3.492) 7.569 23.857 ( 0.454 -0.394 -5.918) 5.948 23.981 ( -4.357 2.167 -7.597) 9.022 24.379 ( 1.997 -4.743 10.921) 12.072 24.609 ( 0.816 3.603 -0.670) 3.755 25.129 ( -0.362 11.698 10.394) 15.653 25.791 ( -3.887 3.868 -5.191) 7.551 26.928 ( 5.279 -5.662 4.905) 9.164 27.078 ( 5.516 2.842 -0.272) 6.210 ======================= Grid point 91 (35/95) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 30.044 -0.000 27.173) 40.509 2.597 ( 33.394 -0.000 33.879) 47.571 3.149 ( 0.043 -0.000 -44.675) 44.675 3.672 ( 24.502 -0.000 -46.101) 52.208 4.123 ( 65.671 -0.000 67.625) 94.265 5.018 ( 26.536 -0.000 -25.148) 36.559 6.156 ( 0.337 -0.000 8.300) 8.307 6.281 ( 1.504 -0.000 -5.145) 5.360 6.299 ( 9.654 -0.000 -3.923) 10.421 6.593 ( -0.874 0.000 -1.332) 1.594 6.663 ( 14.923 -0.000 18.829) 24.026 6.845 ( -7.487 0.000 -11.540) 13.756 7.365 ( -15.150 0.000 0.920) 15.178 7.410 ( 0.011 -0.000 -2.484) 2.484 7.594 ( -21.863 0.000 -6.072) 22.691 7.738 ( -2.465 0.000 -1.386) 2.828 7.810 ( 0.973 -0.000 3.933) 4.052 7.873 ( -2.222 0.000 -2.194) 3.123 7.997 ( -4.900 0.000 -2.712) 5.600 8.282 ( -2.129 0.000 -4.555) 5.028 8.302 ( -20.162 0.000 0.802) 20.178 8.518 ( -1.025 0.000 -3.659) 3.800 8.775 ( -3.591 0.000 -2.047) 4.134 8.826 ( 5.722 -0.000 5.715) 8.087 8.958 ( -12.719 0.000 8.762) 15.445 9.227 ( -8.801 0.000 -1.970) 9.019 9.268 ( 4.214 -0.000 10.653) 11.456 9.323 ( -7.558 0.000 -9.795) 12.372 9.727 ( 3.416 -0.000 10.607) 11.143 9.873 ( -0.307 0.000 -13.952) 13.955 10.000 ( -7.032 0.000 7.559) 10.324 10.026 ( 5.895 -0.000 -0.806) 5.950 10.148 ( 9.668 -0.000 5.556) 11.151 10.157 ( -1.537 0.000 6.936) 7.105 10.440 ( 15.389 -0.000 10.948) 18.886 10.648 ( 7.148 -0.000 8.761) 11.307 10.673 ( 20.775 -0.000 -0.167) 20.776 10.897 ( 20.534 -0.000 -4.386) 20.998 11.003 ( 7.933 -0.000 6.846) 10.479 11.062 ( 9.400 -0.000 5.724) 11.006 11.139 ( 10.368 -0.000 0.185) 10.370 11.428 ( 11.028 -0.000 -12.478) 16.653 11.642 ( 13.414 -0.000 0.004) 13.414 11.792 ( 10.487 -0.000 5.059) 11.643 11.814 ( 0.558 -0.000 -13.525) 13.537 11.854 ( 11.574 -0.000 -2.245) 11.789 11.970 ( 13.296 -0.000 -7.618) 15.323 11.976 ( 12.151 -0.000 5.504) 13.339 12.037 ( 5.212 -0.000 9.981) 11.260 12.347 ( -1.730 0.000 -8.637) 8.808 12.603 ( 22.318 -0.000 5.739) 23.044 12.851 ( 7.567 -0.000 -19.457) 20.877 12.985 ( 15.515 -0.000 2.432) 15.704 13.169 ( 0.626 -0.000 -3.183) 3.244 13.235 ( -2.503 0.000 -5.835) 6.349 13.669 ( 1.985 -0.000 -7.956) 8.199 13.884 ( -15.357 0.000 -7.868) 17.255 14.193 ( -0.396 0.000 11.413) 11.420 14.525 ( -9.428 0.000 -2.074) 9.653 14.552 ( -10.842 0.000 9.180) 14.207 14.758 ( -8.683 0.000 -2.701) 9.094 14.942 ( -0.648 0.000 12.223) 12.240 15.108 ( -26.114 0.000 -2.196) 26.206 15.295 ( -7.772 0.000 6.006) 9.822 15.311 ( -6.562 0.000 9.637) 11.659 15.395 ( 3.089 -0.000 -2.506) 3.978 15.527 ( -5.151 0.000 1.255) 5.302 15.539 ( 2.109 -0.000 -1.534) 2.608 15.749 ( -3.116 0.000 13.502) 13.856 15.839 ( 11.535 -0.000 -8.319) 14.222 16.238 ( -16.058 0.000 -16.777) 23.224 16.279 ( 1.205 -0.000 8.794) 8.876 16.585 ( -20.119 0.000 -7.407) 21.439 16.650 ( 3.004 -0.000 1.748) 3.476 16.862 ( -4.316 0.000 -14.610) 15.234 16.998 ( 7.269 -0.000 -7.557) 10.486 17.048 ( 1.840 -0.000 7.583) 7.803 17.092 ( 0.596 -0.000 2.104) 2.187 17.417 ( -6.213 0.000 11.563) 13.126 17.596 ( 0.403 -0.000 -10.977) 10.984 17.609 ( -7.417 0.000 4.539) 8.696 17.733 ( 4.949 -0.000 -4.354) 6.592 17.832 ( -16.250 0.000 -4.310) 16.812 17.972 ( -5.643 0.000 3.890) 6.853 17.990 ( 14.101 -0.000 13.203) 19.317 18.174 ( 2.731 -0.000 -2.417) 3.647 18.288 ( 6.515 -0.000 3.623) 7.454 18.405 ( -3.537 0.000 -0.614) 3.590 18.524 ( -7.853 0.000 -6.270) 10.050 18.574 ( -2.427 0.000 -2.551) 3.521 18.788 ( -9.314 0.000 -7.238) 11.795 18.982 ( 4.910 -0.000 -4.197) 6.460 19.142 ( 11.091 -0.000 -4.595) 12.005 19.244 ( -0.414 0.000 -3.179) 3.206 19.537 ( -9.213 0.000 1.931) 9.413 19.652 ( 7.867 -0.000 -7.309) 10.738 19.743 ( -13.216 0.000 3.756) 13.740 19.877 ( -4.358 0.000 -1.548) 4.625 20.034 ( 1.806 -0.000 4.356) 4.716 20.147 ( -8.656 0.000 1.214) 8.741 20.273 ( -2.262 0.000 5.602) 6.042 20.519 ( -11.483 0.000 13.163) 17.468 20.693 ( 15.517 -0.000 -5.493) 16.460 21.413 ( -1.298 0.000 11.354) 11.428 21.450 ( 8.471 -0.000 -2.248) 8.764 22.329 ( -5.131 0.000 0.420) 5.148 22.752 ( -4.601 0.000 3.944) 6.060 22.915 ( -4.124 0.000 -4.268) 5.935 23.239 ( 4.703 -0.000 0.817) 4.774 23.261 ( 4.062 -0.000 1.960) 4.510 23.322 ( 8.113 -0.000 3.635) 8.890 23.522 ( 14.029 -0.000 0.164) 14.029 23.733 ( -0.963 0.000 -6.249) 6.323 23.824 ( 1.356 -0.000 -3.135) 3.416 24.566 ( -0.616 0.000 -1.101) 1.262 24.647 ( 0.647 -0.000 -1.594) 1.720 25.450 ( 3.229 -0.000 14.206) 14.568 25.659 ( 7.428 -0.000 -11.594) 13.770 26.798 ( -11.214 0.000 2.351) 11.457 27.352 ( -8.161 0.000 -7.542) 11.112 ======================= Grid point 92 (36/95) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 43.732 -17.689 8.315) 47.901 2.860 ( 18.789 -8.690 -22.325) 30.447 3.501 ( 45.081 8.283 23.852) 51.671 3.778 ( 33.678 13.107 -38.300) 52.658 5.424 ( 15.240 -11.862 -4.741) 19.885 5.535 ( 55.316 -27.598 52.730) 81.252 6.036 ( -7.516 11.619 -1.884) 13.966 6.243 ( -7.437 5.833 -13.550) 16.520 6.332 ( 8.776 -3.941 -0.145) 9.621 6.599 ( 3.675 10.415 -4.912) 12.087 6.757 ( 3.495 2.385 3.422) 5.442 6.830 ( 1.651 2.091 2.497) 3.651 7.157 ( -13.191 0.626 1.670) 13.311 7.278 ( 3.551 13.784 8.906) 16.791 7.375 ( -0.311 12.407 -6.476) 13.999 7.574 ( -1.298 9.859 1.913) 10.126 7.688 ( 7.751 11.339 -2.177) 13.907 7.725 ( -5.888 10.277 -2.869) 12.187 7.848 ( -10.173 11.477 -3.776) 15.795 8.070 ( -1.077 0.567 1.182) 1.697 8.388 ( -4.036 -8.707 1.141) 9.664 8.577 ( -1.446 -10.378 -6.237) 12.194 8.645 ( -2.472 6.680 -9.755) 12.078 8.915 ( -6.561 -6.990 3.236) 10.118 9.054 ( 5.644 -7.199 6.604) 11.282 9.213 ( -6.816 -11.544 -11.520) 17.676 9.349 ( 6.078 -21.632 -3.582) 22.754 9.499 ( 6.136 -15.168 11.427) 19.958 9.680 ( -1.449 12.522 -3.856) 13.182 9.810 ( 3.144 9.187 -1.424) 9.814 9.869 ( 3.583 -1.399 3.568) 5.246 10.039 ( -4.999 2.296 4.640) 7.197 10.205 ( 7.519 2.555 4.655) 9.205 10.344 ( 0.357 -12.959 -4.556) 13.742 10.661 ( 12.402 1.298 1.641) 12.578 10.784 ( 10.606 -3.914 5.174) 12.433 11.014 ( 0.749 -0.693 -0.236) 1.047 11.050 ( 5.202 -6.811 3.577) 9.287 11.178 ( 10.580 -4.360 -0.707) 11.465 11.256 ( 12.320 -5.851 0.130) 13.640 11.350 ( 5.482 -2.877 4.203) 7.483 11.454 ( 11.499 5.359 -5.250) 13.729 11.747 ( 7.188 1.453 -8.809) 11.462 11.898 ( 11.040 -0.428 2.560) 11.341 12.019 ( 6.975 -8.217 2.636) 11.096 12.145 ( 11.986 -12.616 1.068) 17.435 12.183 ( 7.340 -8.296 -1.937) 11.245 12.218 ( 15.053 -3.877 8.409) 17.673 12.338 ( 11.052 -14.478 5.019) 18.893 12.377 ( 19.314 -5.861 -3.119) 20.423 12.833 ( 11.532 6.787 -5.172) 14.346 12.979 ( 15.946 -2.659 -3.985) 16.650 13.055 ( -9.764 -0.265 2.603) 10.109 13.205 ( 16.514 -0.344 -5.505) 17.411 13.358 ( 14.511 -5.812 -8.535) 17.810 13.667 ( -0.571 -1.034 -5.115) 5.250 13.697 ( -3.894 0.657 -3.874) 5.532 14.194 ( -7.337 0.600 8.472) 11.223 14.356 ( -6.005 3.602 4.000) 8.065 14.510 ( -6.785 -3.657 3.085) 8.302 14.626 ( -8.251 1.143 -0.894) 8.377 14.671 ( -20.296 9.139 3.124) 22.477 14.981 ( -12.395 -1.213 15.121) 19.589 15.130 ( -5.294 9.807 -5.475) 12.417 15.220 ( -2.195 6.779 3.086) 7.765 15.422 ( 0.152 -0.503 -1.492) 1.582 15.446 ( -7.682 -2.463 1.895) 8.287 15.582 ( 3.592 -0.567 1.121) 3.805 15.742 ( -12.766 0.731 3.778) 13.333 15.806 ( -7.403 4.705 -9.003) 12.570 16.017 ( 3.438 1.854 -3.128) 5.004 16.213 ( -17.630 2.804 -7.776) 19.471 16.336 ( -4.077 -1.975 9.257) 10.306 16.601 ( -6.045 6.148 0.311) 8.628 16.685 ( -9.606 -0.584 -13.316) 16.430 16.804 ( 4.043 19.133 -9.226) 21.623 17.105 ( 0.282 3.926 10.891) 11.581 17.182 ( -5.385 15.867 -1.856) 16.859 17.314 ( 0.430 -3.512 1.522) 3.852 17.414 ( -5.231 0.809 0.061) 5.293 17.550 ( -13.841 1.601 -1.792) 14.048 17.690 ( -3.632 -7.258 -6.705) 10.527 17.810 ( -1.029 -5.563 -0.383) 5.670 17.912 ( -3.819 -0.486 -0.833) 3.939 18.014 ( -5.372 4.812 -7.143) 10.150 18.207 ( 5.200 9.128 9.565) 14.207 18.325 ( -5.478 -0.196 3.860) 6.704 18.444 ( 2.236 -8.639 6.809) 11.225 18.500 ( 0.178 0.167 -3.293) 3.302 18.590 ( 1.503 -4.751 5.146) 7.163 18.752 ( 1.651 -8.146 -2.854) 8.788 19.012 ( -0.108 -2.750 -1.973) 3.387 19.175 ( -4.344 0.923 -5.528) 7.091 19.210 ( 1.366 1.248 -4.386) 4.760 19.434 ( -3.693 -2.614 -0.055) 4.525 19.550 ( -8.243 3.405 0.552) 8.935 19.698 ( 4.289 1.119 -5.152) 6.796 19.831 ( -3.684 -0.505 -0.023) 3.719 20.029 ( -6.277 2.209 3.382) 7.464 20.062 ( 2.093 3.550 3.027) 5.113 20.284 ( 0.797 0.936 6.595) 6.708 20.460 ( -7.636 -1.441 7.076) 10.510 20.873 ( 14.742 2.631 -2.880) 15.249 21.383 ( 1.968 3.172 8.019) 8.845 21.597 ( -2.638 -4.162 -6.038) 7.793 22.237 ( -9.424 -6.954 -0.376) 11.718 22.702 ( 0.014 4.399 0.033) 4.399 22.941 ( 1.162 -8.138 -2.320) 8.542 23.287 ( 5.558 2.976 1.606) 6.506 23.315 ( 4.280 -0.585 2.966) 5.240 23.489 ( 6.237 -0.015 1.168) 6.346 23.626 ( 0.317 1.609 -8.786) 8.938 23.751 ( 10.176 1.606 2.192) 10.533 23.849 ( 1.225 -3.800 1.976) 4.455 24.489 ( -1.358 3.323 -3.400) 4.945 24.722 ( -0.126 -7.919 0.302) 7.926 25.500 ( 3.443 8.356 9.668) 13.234 25.806 ( 9.937 -7.874 -6.775) 14.375 26.634 ( -10.280 1.993 1.859) 10.635 27.163 ( -10.530 2.483 -5.154) 11.983 ======================= Grid point 93 (37/95) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 40.915 -18.699 -6.079) 45.394 3.449 ( 40.236 -19.911 4.039) 45.074 3.970 ( 37.993 8.390 -28.461) 48.207 4.151 ( 45.880 5.076 21.367) 50.865 5.349 ( -14.314 20.810 -4.125) 25.592 5.516 ( -9.664 26.872 -7.100) 29.427 6.082 ( -1.508 0.430 1.823) 2.405 6.318 ( -5.928 18.191 -0.131) 19.133 6.357 ( 1.837 16.497 5.543) 17.500 6.495 ( -3.282 9.605 7.042) 12.354 6.691 ( -1.315 7.101 -5.294) 8.954 6.937 ( 14.774 8.084 12.842) 21.178 7.033 ( -5.422 11.813 -8.217) 15.377 7.292 ( 11.998 -1.160 7.329) 14.107 7.390 ( 13.306 5.868 12.097) 18.916 7.506 ( 7.983 5.285 -1.491) 9.689 7.603 ( 22.934 -7.991 21.288) 32.296 7.645 ( 7.532 1.945 1.543) 7.930 7.876 ( 17.835 -3.419 -8.582) 20.086 8.047 ( 10.133 3.667 -7.338) 13.038 8.401 ( -3.634 -3.952 -0.384) 5.383 8.566 ( 2.029 1.681 -7.648) 8.089 8.672 ( -2.680 -10.754 -7.906) 13.614 8.926 ( -6.362 -3.835 -5.331) 9.143 9.088 ( -4.237 -5.679 -7.476) 10.300 9.267 ( -0.471 -1.546 -1.281) 2.062 9.418 ( -6.849 2.927 2.318) 7.800 9.674 ( 3.038 -7.264 -2.411) 8.235 9.777 ( -1.005 -4.018 2.087) 4.637 9.879 ( -4.981 2.912 5.548) 8.004 10.042 ( 3.222 -5.172 5.293) 8.071 10.113 ( 14.093 -20.844 5.946) 25.854 10.293 ( 11.511 4.414 -2.343) 12.549 10.412 ( -5.985 -5.873 -1.288) 8.484 10.739 ( 1.763 -3.005 -4.807) 5.937 10.966 ( -1.863 0.354 1.544) 2.446 11.080 ( -4.754 -0.240 1.235) 4.918 11.197 ( 4.155 -21.229 -1.397) 21.676 11.259 ( 10.475 -3.297 -4.931) 12.037 11.405 ( 8.955 -1.705 -11.200) 14.441 11.521 ( 1.222 -9.095 -2.950) 9.639 11.593 ( 8.500 -0.697 5.384) 10.086 11.827 ( 8.567 -0.498 -4.650) 9.760 12.079 ( 10.460 -0.831 7.130) 12.686 12.237 ( 12.103 -7.896 2.658) 14.693 12.306 ( 2.328 -7.959 -2.039) 8.540 12.418 ( 10.371 -2.053 4.067) 11.327 12.640 ( 7.225 -6.149 13.203) 16.258 12.714 ( 13.361 -11.683 1.798) 17.839 12.842 ( 8.247 -3.195 0.924) 8.892 12.893 ( 15.636 -3.492 6.201) 17.179 13.022 ( 7.774 -7.929 8.921) 14.244 13.223 ( 12.929 -9.889 -11.813) 20.113 13.432 ( 15.080 -1.694 -5.550) 16.158 13.521 ( 4.483 2.477 -5.565) 7.564 13.628 ( -5.008 2.083 -9.493) 10.934 13.738 ( 6.717 -6.832 -2.170) 9.823 14.086 ( -3.353 4.485 0.927) 5.676 14.196 ( -13.324 5.053 -0.045) 14.250 14.266 ( -13.832 9.908 4.163) 17.517 14.469 ( -12.905 -0.488 -1.590) 13.012 14.575 ( 1.902 -1.205 8.099) 8.406 14.708 ( -7.712 6.815 -5.324) 11.588 15.013 ( -3.469 1.914 6.997) 8.041 15.097 ( -5.374 7.876 4.555) 10.567 15.369 ( -12.662 -0.723 -3.861) 13.258 15.405 ( -9.000 4.036 -0.235) 9.866 15.446 ( -0.063 -1.865 -4.654) 5.014 15.615 ( 0.435 1.625 1.058) 1.987 15.697 ( -9.882 6.094 7.621) 13.888 15.892 ( -11.605 0.174 1.003) 11.650 16.139 ( 2.862 2.185 6.634) 7.548 16.247 ( -13.374 5.162 -6.384) 15.693 16.326 ( -1.399 12.575 -6.152) 14.069 16.462 ( -7.029 8.470 -2.143) 11.214 16.641 ( -4.548 -0.857 -4.663) 6.570 16.810 ( -11.169 16.067 0.961) 19.592 17.036 ( -10.503 1.466 -0.246) 10.608 17.160 ( -4.355 2.828 0.748) 5.246 17.229 ( -9.985 10.307 3.178) 14.698 17.575 ( -6.002 -5.000 -8.169) 11.303 17.729 ( 6.333 -0.818 -5.027) 8.127 17.840 ( -5.608 -4.586 -2.078) 7.536 17.871 ( 0.274 -1.008 1.909) 2.176 17.915 ( -3.637 -8.399 -5.786) 10.828 18.139 ( 1.996 9.624 4.484) 10.804 18.287 ( 2.487 2.774 0.880) 3.828 18.505 ( -5.046 -6.084 1.537) 8.052 18.631 ( 0.062 -6.316 4.570) 7.796 18.660 ( 3.550 -1.044 3.580) 5.148 18.950 ( 5.144 -7.638 4.109) 10.083 19.016 ( -10.206 -5.450 -0.726) 11.593 19.107 ( -0.487 -2.073 -1.103) 2.398 19.197 ( 3.135 -0.232 -1.862) 3.654 19.442 ( 0.084 1.367 -3.515) 3.773 19.476 ( 1.277 -1.117 -2.255) 2.822 19.705 ( -0.330 0.196 -0.911) 0.989 19.827 ( 2.961 -0.758 1.937) 3.619 19.937 ( -3.080 3.080 2.804) 5.180 20.043 ( 2.415 4.129 0.950) 4.877 20.269 ( -2.787 4.375 3.786) 6.422 20.382 ( -4.790 2.631 3.967) 6.753 21.001 ( 10.271 4.129 1.162) 11.131 21.401 ( -1.660 2.683 4.454) 5.458 21.488 ( -5.861 -1.391 -8.019) 10.029 22.270 ( -9.963 -15.083 -4.022) 18.519 22.672 ( 5.526 4.418 0.243) 7.079 23.067 ( 2.386 -5.814 -1.561) 6.475 23.312 ( 2.053 1.340 1.079) 2.679 23.441 ( 4.457 -4.624 -0.805) 6.472 23.482 ( 3.722 7.196 -5.224) 9.640 23.539 ( 0.043 6.320 4.790) 7.930 23.839 ( 2.415 -3.352 -0.340) 4.145 24.013 ( 9.607 -1.477 3.510) 10.334 24.461 ( -1.031 -4.738 -4.045) 6.315 24.822 ( -3.098 -7.465 2.391) 8.428 25.403 ( 1.859 14.381 4.904) 15.307 26.033 ( 8.186 -7.930 -3.285) 11.861 26.504 ( -5.892 0.494 0.775) 5.964 26.967 ( -9.855 2.448 -2.393) 10.433 ======================= Grid point 94 (38/95) ======================= q-point: ( 0.44 0.11 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.962 ( 32.019 -11.853 -3.594) 34.331 4.342 ( 42.940 -7.848 -2.621) 43.730 4.413 ( 44.071 -9.304 -0.301) 45.043 4.624 ( -7.927 28.206 -0.036) 29.299 4.829 ( 23.735 7.853 7.625) 26.137 5.024 ( -1.645 21.216 -11.225) 24.059 5.771 ( -4.119 31.511 -6.165) 32.372 5.943 ( -13.380 26.830 0.935) 29.996 6.140 ( 6.094 4.310 -1.898) 7.702 6.280 ( -6.704 21.153 4.225) 22.589 6.523 ( 6.624 5.511 13.086) 15.668 6.769 ( 7.738 11.790 -7.926) 16.177 7.040 ( 3.745 6.616 12.299) 14.459 7.205 ( 3.931 11.708 -0.586) 12.364 7.529 ( 10.613 7.081 6.688) 14.405 7.584 ( 9.280 10.644 8.958) 16.723 7.756 ( 13.026 -0.011 -0.764) 13.048 8.063 ( 10.726 2.643 -0.058) 11.047 8.211 ( 9.141 -0.747 -25.568) 27.163 8.315 ( 1.383 -0.203 2.196) 2.603 8.491 ( 0.042 1.782 -2.860) 3.370 8.676 ( 12.148 -17.540 4.756) 21.859 8.735 ( 2.141 -8.626 2.065) 9.124 8.806 ( 3.702 0.912 -2.806) 4.734 9.061 ( 1.642 4.011 -4.684) 6.381 9.228 ( 1.359 0.446 1.569) 2.123 9.517 ( -1.000 -14.579 6.254) 15.895 9.654 ( -7.329 4.454 3.204) 9.155 9.761 ( -6.320 -4.604 1.771) 8.018 9.857 ( -2.485 -6.878 -0.161) 7.315 10.092 ( 2.547 8.901 -6.661) 11.405 10.199 ( -3.729 -4.401 6.053) 8.361 10.356 ( -6.603 -2.532 -3.165) 7.748 10.572 ( 8.641 -0.745 6.016) 10.555 10.844 ( 6.692 -12.346 -3.173) 14.397 10.968 ( -7.164 -8.560 -1.097) 11.216 11.109 ( -1.259 -6.048 3.450) 7.076 11.311 ( 4.755 -2.195 1.234) 5.380 11.410 ( -2.969 -0.452 -2.998) 4.243 11.622 ( 3.951 -7.297 -1.098) 8.370 11.644 ( 5.567 -0.753 0.615) 5.651 11.754 ( 5.398 -11.547 -8.500) 15.321 11.913 ( 3.904 2.833 -1.971) 5.211 12.206 ( -4.398 -1.015 0.185) 4.518 12.327 ( -2.987 4.843 -6.011) 8.277 12.506 ( 6.891 -0.835 1.524) 7.107 12.559 ( 3.716 -4.091 2.094) 5.910 12.645 ( 1.569 2.135 12.214) 12.498 12.884 ( 3.722 -1.607 2.543) 4.786 13.041 ( 1.170 -4.744 -3.083) 5.778 13.107 ( -8.344 3.264 -4.785) 10.157 13.257 ( 3.564 5.582 0.892) 6.683 13.317 ( 5.088 0.645 -7.776) 9.315 13.440 ( 5.424 -4.356 2.324) 7.335 13.588 ( 6.637 -6.154 -3.161) 9.587 13.740 ( 5.820 -1.173 2.740) 6.538 13.891 ( 9.362 -7.098 -1.101) 11.800 14.008 ( 9.435 2.793 -1.692) 9.985 14.035 ( 0.731 1.227 2.457) 2.842 14.122 ( -1.550 -4.755 3.440) 6.070 14.406 ( -2.474 -7.274 -5.831) 9.646 14.549 ( -0.954 8.417 7.532) 11.335 14.688 ( -1.757 -4.226 1.979) 4.986 14.846 ( -13.270 7.897 -1.204) 15.489 14.980 ( -4.729 -0.144 4.888) 6.803 15.196 ( -2.987 1.619 2.422) 4.172 15.268 ( -8.712 9.379 4.407) 13.538 15.360 ( -3.844 1.614 -6.868) 8.034 15.517 ( -2.989 -2.742 -1.124) 4.209 15.642 ( 0.181 1.680 1.061) 1.995 15.742 ( -8.712 2.106 -0.119) 8.963 15.896 ( -11.787 1.676 -1.757) 12.035 16.107 ( -1.045 5.740 7.704) 9.664 16.263 ( 2.394 11.953 6.602) 13.863 16.356 ( 3.161 -6.526 -8.408) 11.102 16.481 ( -9.373 1.332 -5.733) 11.067 16.669 ( -3.683 -3.023 6.327) 7.920 16.851 ( -12.576 -1.916 -3.928) 13.314 17.021 ( -5.479 4.744 3.885) 8.223 17.135 ( 4.600 2.678 -1.518) 5.535 17.421 ( -7.517 0.772 -12.974) 15.014 17.676 ( -11.036 -3.675 -6.856) 13.501 17.802 ( -8.155 -6.087 -4.856) 11.276 17.880 ( -2.607 -1.950 0.845) 3.363 18.068 ( 3.231 7.369 3.645) 8.833 18.146 ( 8.949 -7.722 3.132) 12.228 18.304 ( 6.746 4.336 -0.895) 8.069 18.517 ( -6.557 -5.371 5.142) 9.914 18.681 ( -0.017 -1.079 5.478) 5.584 18.732 ( -3.276 -5.635 -0.683) 6.553 18.921 ( -8.708 -3.118 -3.038) 9.735 19.099 ( 2.180 -4.730 -0.522) 5.235 19.165 ( 0.509 -3.297 1.094) 3.511 19.265 ( 6.335 2.542 3.463) 7.654 19.436 ( 5.457 5.944 -1.376) 8.185 19.507 ( 4.149 -2.770 -0.884) 5.067 19.710 ( -1.987 -3.509 2.463) 4.725 19.883 ( -0.489 2.694 -0.027) 2.738 19.914 ( 4.133 -1.473 0.590) 4.427 20.025 ( 2.439 5.686 0.603) 6.216 20.155 ( -2.920 3.778 1.978) 5.168 20.305 ( -3.110 2.175 3.062) 4.876 21.027 ( 3.655 5.251 -3.261) 7.181 21.282 ( -1.257 6.739 -1.047) 6.935 21.510 ( -2.920 -8.053 0.998) 8.624 22.289 ( -12.640 -13.324 -6.735) 19.561 22.727 ( 7.776 2.930 1.788) 8.500 23.147 ( 1.951 -2.289 -1.191) 3.235 23.312 ( 1.727 3.548 -0.685) 4.005 23.376 ( -2.275 2.514 -4.050) 5.281 23.460 ( 0.255 4.594 5.663) 7.296 23.603 ( 7.683 -0.675 -1.993) 7.966 23.935 ( 3.748 -2.906 3.793) 6.073 24.120 ( 5.624 2.036 -3.071) 6.724 24.558 ( -0.426 -11.300 -1.305) 11.383 24.826 ( -9.046 -1.535 5.501) 10.698 25.246 ( 3.984 13.652 1.949) 14.355 26.194 ( 3.713 -4.394 -2.927) 6.455 26.470 ( -1.380 -2.432 -0.417) 2.827 26.810 ( -7.058 1.511 -0.106) 7.219 ======================= Grid point 95 (39/95) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.880 ( -7.074 46.899 4.042) 47.602 4.296 ( 3.361 9.563 -7.838) 12.813 4.582 ( 3.189 7.357 -13.576) 15.768 4.776 ( -16.514 33.988 -1.185) 37.806 5.026 ( 37.034 -4.183 -11.235) 38.926 5.159 ( 15.041 4.743 7.619) 17.515 5.405 ( 33.207 12.609 1.155) 35.539 5.837 ( 19.826 -3.189 8.226) 21.701 6.102 ( 12.145 4.693 6.395) 14.506 6.274 ( 20.721 4.476 0.135) 21.200 6.614 ( 10.495 3.285 2.686) 11.320 6.791 ( 9.457 4.048 3.010) 10.718 7.080 ( -1.197 14.768 2.350) 15.001 7.095 ( 5.749 0.955 6.724) 8.898 7.504 ( 1.394 22.268 4.373) 22.736 7.565 ( 5.470 7.066 4.658) 10.077 7.756 ( -6.242 17.653 -7.662) 20.231 7.880 ( 2.308 8.342 -0.142) 8.656 8.099 ( 3.469 7.430 0.063) 8.200 8.304 ( 0.943 4.857 9.215) 10.459 8.468 ( 0.659 1.303 -1.107) 1.832 8.651 ( -7.395 -5.883 -17.341) 19.749 8.795 ( 4.626 0.780 -2.639) 5.383 9.068 ( 11.008 1.621 -4.834) 12.131 9.166 ( 1.527 -8.153 -3.876) 9.155 9.323 ( 7.324 -0.426 6.660) 9.908 9.490 ( -13.009 -3.984 1.951) 13.745 9.694 ( -2.498 0.912 -0.268) 2.673 9.760 ( -2.349 -7.647 2.831) 8.486 9.875 ( -6.567 5.989 2.147) 9.143 10.006 ( -2.306 -9.574 -5.693) 11.375 10.260 ( -6.247 -3.254 6.738) 9.748 10.336 ( -0.027 -6.473 -9.412) 11.423 10.586 ( 0.650 8.438 4.037) 9.377 10.899 ( -17.540 9.544 3.614) 20.293 11.022 ( -3.408 -2.196 -1.255) 4.244 11.199 ( -3.255 -0.417 -13.338) 13.736 11.314 ( -3.962 1.239 6.309) 7.552 11.347 ( 0.904 1.006 5.688) 5.846 11.498 ( -6.137 8.198 2.758) 10.606 11.670 ( -7.307 1.085 -6.464) 9.816 11.865 ( 5.178 2.019 3.137) 6.382 11.877 ( 3.790 -1.448 3.260) 5.204 11.987 ( -16.815 0.069 -4.728) 17.467 12.319 ( 4.989 -1.196 -4.563) 6.866 12.430 ( -5.730 7.102 -1.636) 9.271 12.519 ( -3.228 11.457 3.934) 12.536 12.684 ( 3.553 -3.099 3.510) 5.878 12.876 ( -7.125 1.156 1.227) 7.322 12.943 ( 0.643 2.923 0.448) 3.027 13.000 ( -12.541 4.306 8.780) 15.903 13.189 ( -0.616 10.265 -2.659) 10.621 13.380 ( -0.375 2.354 -10.210) 10.484 13.461 ( 2.838 4.584 1.049) 5.493 13.643 ( 1.200 -2.807 3.137) 4.377 13.778 ( 0.959 -1.080 -7.002) 7.150 14.008 ( 3.813 1.264 1.963) 4.471 14.071 ( 0.199 2.870 -2.574) 3.860 14.174 ( 8.863 11.906 2.429) 15.040 14.380 ( 3.041 -4.708 -10.300) 11.726 14.415 ( 4.015 -6.396 12.070) 14.238 14.554 ( 3.554 -2.023 -8.169) 9.135 14.602 ( -2.856 -6.380 1.777) 7.213 14.787 ( 7.589 -8.582 0.968) 11.497 15.052 ( -0.751 4.177 -2.351) 4.851 15.116 ( 5.277 -7.393 4.874) 10.308 15.147 ( -5.456 -8.762 -1.088) 10.379 15.426 ( 4.058 -3.599 -1.129) 5.540 15.530 ( -4.102 -3.250 1.635) 5.483 15.597 ( -0.180 -3.577 -2.284) 4.248 15.740 ( 3.019 -5.790 1.368) 6.671 15.845 ( 3.246 -1.035 5.402) 6.387 16.070 ( -1.059 1.717 6.601) 6.902 16.266 ( 3.872 -2.746 10.338) 11.376 16.402 ( 1.667 -3.740 -0.087) 4.096 16.509 ( 1.131 -9.547 -3.202) 10.133 16.648 ( -6.885 -3.195 3.103) 8.200 16.727 ( -4.110 1.766 -1.058) 4.597 16.985 ( -6.404 -7.144 -3.139) 10.095 17.176 ( 3.905 -2.016 -5.238) 6.837 17.344 ( 6.232 -1.015 -9.679) 11.556 17.540 ( -12.305 -6.236 -7.468) 15.686 17.752 ( -9.132 -1.418 -3.955) 10.053 17.811 ( -6.685 -3.607 -1.056) 7.669 18.039 ( 1.199 2.121 3.711) 4.440 18.296 ( -2.271 -2.223 0.728) 3.261 18.323 ( 3.023 2.824 1.244) 4.320 18.554 ( 0.193 -1.139 8.339) 8.419 18.724 ( -1.824 -4.276 3.267) 5.682 18.744 ( -2.706 -3.618 -0.755) 4.581 18.853 ( -3.247 -1.598 -2.484) 4.390 19.102 ( 2.177 6.161 -2.392) 6.958 19.201 ( -2.200 -4.729 0.047) 5.216 19.339 ( 1.090 -1.461 0.443) 1.876 19.425 ( 7.630 7.202 2.930) 10.894 19.638 ( 7.290 -1.587 -1.277) 7.569 19.767 ( -2.198 -5.007 5.190) 7.538 19.830 ( 0.092 2.789 -0.509) 2.837 19.878 ( -4.273 7.612 -3.661) 9.466 19.984 ( 3.528 -0.138 -0.827) 3.626 20.206 ( 5.367 -3.778 2.545) 7.039 20.267 ( -0.808 1.386 3.462) 3.816 20.983 ( 2.204 3.010 -4.293) 5.688 21.184 ( -0.178 6.854 2.143) 7.183 21.598 ( -0.890 -7.211 0.833) 7.313 22.250 ( -12.924 -11.628 -5.423) 18.211 22.790 ( 5.648 3.086 0.628) 6.466 23.176 ( 0.270 0.182 -1.174) 1.219 23.254 ( 1.422 4.685 -3.097) 5.794 23.313 ( -2.051 2.399 1.591) 3.535 23.449 ( 3.281 4.444 6.458) 8.499 23.704 ( 5.775 -3.416 -5.975) 8.984 24.021 ( 2.338 1.754 1.456) 3.266 24.093 ( 0.861 3.013 -6.471) 7.190 24.639 ( -7.864 1.065 0.845) 7.981 24.742 ( -5.090 -5.952 9.082) 11.992 25.185 ( 7.535 7.742 1.653) 10.929 26.225 ( -1.285 0.289 -3.582) 3.817 26.492 ( -1.129 -2.931 -1.202) 3.363 26.767 ( -0.903 -3.795 1.283) 4.106 ======================= Grid point 96 (40/95) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( -0.931 51.740 7.839) 52.339 3.652 ( -20.566 40.700 -20.110) 49.839 4.091 ( -11.174 22.048 -17.630) 30.361 4.587 ( 4.075 11.195 10.862) 16.123 4.983 ( 11.506 14.026 -12.581) 22.077 5.543 ( 17.641 8.236 6.434) 20.505 5.854 ( -8.832 21.494 13.814) 27.034 6.018 ( 23.195 4.681 5.467) 24.287 6.199 ( 5.468 0.142 8.461) 10.075 6.587 ( 32.891 4.816 7.510) 34.080 6.714 ( 11.528 1.907 10.239) 15.536 6.900 ( 14.588 -2.888 1.452) 14.942 7.064 ( 17.577 -12.341 -4.195) 21.882 7.248 ( 10.617 -3.662 -1.383) 11.316 7.374 ( 5.386 1.933 1.975) 6.053 7.535 ( -1.034 2.370 -2.416) 3.538 7.616 ( 1.889 3.066 -3.037) 4.711 7.749 ( 3.967 11.639 -2.822) 12.616 8.002 ( 1.266 10.990 -1.910) 11.226 8.253 ( -7.930 4.609 7.393) 11.781 8.454 ( -0.557 1.616 4.156) 4.493 8.597 ( -1.189 -4.753 -6.686) 8.289 8.823 ( 3.966 3.297 -3.731) 6.365 9.029 ( -14.051 14.817 -22.902) 30.683 9.196 ( -4.265 -2.562 -3.085) 5.854 9.273 ( 5.620 -1.314 -3.388) 6.693 9.438 ( -3.673 -0.810 5.317) 6.513 9.645 ( -3.538 6.104 3.823) 8.025 9.693 ( -7.218 1.998 -2.728) 7.971 9.765 ( -7.556 -2.513 1.200) 8.053 10.009 ( -5.320 3.521 -0.261) 6.385 10.166 ( -7.183 8.283 5.708) 12.360 10.225 ( -9.432 4.444 -5.721) 11.893 10.427 ( -4.099 2.991 1.164) 5.206 10.604 ( 1.953 13.109 16.171) 20.908 10.910 ( -9.140 3.743 -8.808) 13.234 10.966 ( -19.671 8.483 4.752) 21.943 11.114 ( -17.657 -2.178 0.531) 17.799 11.276 ( -3.739 6.476 -5.758) 9.437 11.387 ( -4.913 6.724 0.535) 8.345 11.552 ( 0.089 -2.682 -6.247) 6.799 11.610 ( -1.879 8.953 5.862) 10.865 11.857 ( 5.834 12.341 0.593) 13.664 12.032 ( -14.185 -5.595 7.660) 17.064 12.221 ( -8.148 8.662 -10.694) 15.994 12.351 ( -4.674 11.663 0.716) 12.585 12.449 ( 5.265 2.297 3.232) 6.591 12.645 ( -13.117 5.082 3.446) 14.483 12.745 ( -3.371 5.609 4.324) 7.844 12.808 ( -8.174 10.658 2.333) 13.633 12.940 ( 0.897 6.486 -0.533) 6.569 12.990 ( 0.565 4.847 4.982) 6.974 13.307 ( 3.515 7.710 2.464) 8.824 13.369 ( 0.517 2.941 -2.705) 4.029 13.701 ( 7.781 2.424 -6.593) 10.483 13.747 ( -3.382 5.096 -4.569) 7.634 13.845 ( 3.833 13.397 -6.126) 15.221 13.959 ( -2.619 8.196 -6.205) 10.608 14.182 ( 8.875 -6.619 6.637) 12.908 14.464 ( 5.631 -2.063 -7.684) 9.747 14.512 ( -0.837 -6.110 1.578) 6.366 14.695 ( -6.381 -12.993 -12.787) 19.314 14.791 ( 11.427 -7.180 -3.777) 14.014 14.921 ( -0.618 -3.070 4.719) 5.664 15.043 ( 0.949 -2.826 11.317) 11.703 15.197 ( -4.782 -0.792 0.479) 4.871 15.338 ( 0.093 -4.520 1.480) 4.757 15.457 ( -2.606 -10.230 -4.199) 11.362 15.568 ( 0.934 -6.315 -0.516) 6.405 15.782 ( 12.807 -11.392 4.403) 17.697 15.982 ( 6.105 -4.244 1.147) 7.523 16.039 ( 14.995 -9.532 0.078) 17.768 16.187 ( 5.684 -6.234 18.827) 20.631 16.444 ( -9.004 -4.229 -1.531) 10.064 16.524 ( 7.741 -8.243 -2.110) 11.503 16.630 ( 11.800 2.950 9.682) 15.547 16.700 ( 4.499 -11.314 8.258) 14.712 16.757 ( -1.636 -15.868 -10.096) 18.879 16.976 ( -6.460 -10.261 -8.152) 14.611 17.215 ( -1.468 1.564 -2.779) 3.510 17.416 ( -0.839 -3.647 -5.836) 6.933 17.497 ( -2.420 -5.738 3.097) 6.955 17.627 ( -4.450 -8.154 -11.583) 14.847 17.868 ( -0.791 -11.477 -1.193) 11.566 18.036 ( -0.825 2.189 -0.485) 2.389 18.208 ( -9.607 0.561 0.764) 9.654 18.321 ( -0.536 -0.162 4.881) 4.913 18.503 ( 0.198 12.801 3.427) 13.253 18.734 ( -1.066 0.266 2.218) 2.475 18.838 ( -2.626 -13.485 0.362) 13.743 18.884 ( 4.412 -2.408 -1.426) 5.224 19.062 ( 2.022 2.954 1.551) 3.901 19.221 ( -3.501 -3.015 -0.613) 4.661 19.287 ( -3.775 3.330 -2.544) 5.641 19.450 ( 4.758 6.107 -1.030) 7.810 19.654 ( -1.649 2.466 -6.296) 6.960 19.725 ( 1.922 6.010 -3.738) 7.334 19.803 ( -1.589 -4.697 -0.547) 4.989 19.890 ( 1.490 -4.199 4.268) 6.170 20.018 ( 3.812 1.957 1.273) 4.470 20.261 ( -0.745 0.660 7.767) 7.830 20.388 ( 7.810 -5.975 -0.557) 9.849 20.957 ( 2.288 5.738 2.324) 6.600 21.107 ( -2.436 3.135 4.479) 5.985 21.698 ( 3.631 -6.087 -3.188) 7.772 22.234 ( -10.765 -12.669 -2.227) 16.773 22.789 ( 2.241 4.401 -2.677) 5.617 23.109 ( -3.450 3.845 -2.079) 5.568 23.230 ( 3.236 3.461 0.128) 4.740 23.281 ( 0.435 1.163 1.350) 1.834 23.465 ( 2.874 3.577 4.648) 6.531 23.805 ( 7.175 -1.293 -6.298) 9.634 23.869 ( -5.311 10.970 -3.711) 12.741 24.089 ( -0.261 -0.472 -3.267) 3.311 24.494 ( -4.626 4.420 2.168) 6.755 24.763 ( -7.123 -1.841 5.726) 9.323 25.241 ( 7.756 3.686 6.481) 10.758 26.125 ( -4.088 5.084 -4.633) 8.002 26.548 ( 1.206 -6.498 0.218) 6.613 26.865 ( 1.321 -7.512 0.179) 7.629 ======================= Grid point 97 (41/95) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -10.673 55.982 -8.019) 57.552 2.810 ( 0.476 50.567 14.860) 52.707 3.621 ( -9.770 5.458 -39.573) 41.125 4.423 ( -32.017 64.658 35.418) 80.375 4.449 ( 15.362 24.203 -22.975) 36.738 5.213 ( -1.590 -4.142 28.990) 29.327 5.948 ( 18.198 9.033 14.677) 25.064 6.283 ( 2.204 -8.669 0.218) 8.948 6.463 ( 5.678 3.228 0.076) 6.532 6.685 ( 4.868 11.201 6.274) 13.730 6.995 ( 6.451 -9.085 -8.405) 13.957 7.168 ( 6.114 7.738 2.320) 10.132 7.293 ( 7.063 -0.527 -16.163) 17.646 7.426 ( 3.777 -4.080 -6.103) 8.256 7.468 ( 4.203 -3.202 -7.979) 9.570 7.542 ( 7.213 -14.450 -3.713) 16.571 7.653 ( 4.003 3.553 -9.416) 10.831 7.792 ( 10.105 3.542 0.313) 10.712 7.920 ( 12.953 -5.780 5.814) 15.329 8.092 ( -13.711 -0.583 6.317) 15.108 8.217 ( -5.996 11.493 -8.484) 15.493 8.644 ( 5.241 0.563 10.887) 12.096 8.728 ( 7.038 -0.921 -9.872) 12.159 8.892 ( -3.273 -3.650 -1.756) 5.208 9.059 ( -5.589 6.273 1.663) 8.564 9.317 ( -5.602 1.698 2.446) 6.344 9.392 ( -9.939 0.711 -2.141) 10.192 9.470 ( -10.101 -1.536 -4.837) 11.304 9.586 ( -8.513 2.122 10.410) 13.614 9.646 ( 2.400 2.273 -2.309) 4.033 9.792 ( -10.163 2.758 3.264) 11.025 10.035 ( 2.105 6.478 6.783) 9.613 10.133 ( 2.119 1.788 -3.415) 4.399 10.410 ( -0.712 0.354 0.003) 0.795 10.462 ( -8.031 21.630 26.238) 34.940 10.674 ( 4.201 1.566 -5.620) 7.190 10.797 ( -5.612 0.928 0.390) 5.702 10.901 ( -11.447 -0.568 -0.556) 11.475 11.146 ( -6.729 14.724 -0.530) 16.198 11.190 ( 4.022 9.341 -2.930) 10.584 11.437 ( -5.417 13.598 4.433) 15.293 11.631 ( -1.649 3.537 -9.482) 10.254 11.722 ( 4.647 8.018 -1.464) 9.382 11.792 ( -12.614 10.165 -5.111) 16.987 11.993 ( -6.368 3.577 5.449) 9.112 12.082 ( -4.809 11.285 6.059) 13.682 12.365 ( -1.450 14.484 0.190) 14.558 12.446 ( -8.674 2.432 3.478) 9.657 12.540 ( -3.992 11.945 -3.184) 12.991 12.607 ( -3.857 13.565 2.274) 14.285 12.724 ( -7.673 16.467 -0.020) 18.167 12.842 ( -1.291 7.211 -7.879) 10.759 13.000 ( -5.546 13.432 -2.573) 14.758 13.398 ( -2.696 19.068 -18.933) 27.006 13.569 ( 4.190 3.120 -0.865) 5.295 13.695 ( 5.925 -3.621 -7.175) 9.985 13.896 ( 8.692 1.877 1.060) 8.955 14.124 ( 12.206 -7.568 8.656) 16.768 14.410 ( -14.274 -7.688 -15.836) 22.663 14.541 ( 7.308 -13.483 11.079) 18.919 14.600 ( 6.903 -7.896 3.223) 10.972 14.696 ( 1.085 -6.442 -0.707) 6.571 14.913 ( 0.407 -2.617 -1.989) 3.313 15.077 ( -0.576 -2.579 5.426) 6.036 15.155 ( -2.139 -5.335 13.541) 14.710 15.209 ( 3.208 -8.770 2.140) 9.581 15.363 ( -0.591 -8.904 -4.681) 10.077 15.570 ( 2.412 -4.935 -4.293) 6.971 15.625 ( -0.296 -3.838 -2.863) 4.798 16.028 ( -0.341 2.158 -2.402) 3.247 16.169 ( 5.841 -5.557 7.940) 11.315 16.276 ( 2.332 0.264 3.671) 4.357 16.364 ( 3.224 -4.722 9.459) 11.052 16.484 ( 5.034 -12.888 2.492) 14.059 16.648 ( -0.299 -1.252 -4.147) 4.342 16.741 ( 9.328 -4.881 -1.164) 10.592 16.859 ( -3.265 -3.882 -4.023) 6.474 16.980 ( 2.415 -2.941 -8.658) 9.458 17.105 ( 6.384 -8.892 10.804) 15.380 17.307 ( 6.673 -19.365 3.404) 20.764 17.463 ( -6.503 -14.200 -1.501) 15.691 17.616 ( 1.848 -6.815 13.527) 15.259 17.682 ( -1.565 -10.749 -18.030) 21.049 17.916 ( -10.035 1.518 -3.386) 10.699 18.044 ( -0.674 1.155 -5.987) 6.134 18.100 ( 2.662 -9.914 -2.806) 10.642 18.313 ( 0.659 11.425 -1.253) 11.512 18.401 ( -1.879 -5.773 7.871) 9.940 18.726 ( 0.535 2.676 2.667) 3.816 18.944 ( -0.275 -1.421 0.989) 1.753 18.989 ( -0.140 -2.975 -0.560) 3.030 19.063 ( -3.319 3.410 -6.027) 7.679 19.089 ( 2.085 -0.355 -0.403) 2.153 19.308 ( -0.330 -0.240 -0.504) 0.648 19.327 ( -0.335 5.458 -3.028) 6.251 19.564 ( -2.391 2.497 -5.654) 6.627 19.706 ( 4.198 -0.219 -3.970) 5.782 19.838 ( -3.127 -5.821 -2.728) 7.149 19.994 ( 1.612 -4.989 1.746) 5.526 20.065 ( 4.551 0.828 1.249) 4.792 20.273 ( -2.803 0.454 11.664) 12.005 20.541 ( 6.198 -1.311 -3.478) 7.227 20.902 ( -0.677 6.219 9.254) 11.170 21.063 ( -5.123 0.519 9.154) 10.503 21.876 ( 11.491 -8.196 -6.903) 15.712 22.262 ( -11.249 -12.529 -3.003) 17.103 22.729 ( 2.078 4.568 -3.049) 5.872 22.990 ( -5.132 2.360 -3.228) 6.506 23.232 ( 3.247 3.437 1.944) 5.112 23.285 ( 3.144 3.195 0.379) 4.499 23.449 ( -1.372 3.079 0.444) 3.399 23.610 ( -3.968 13.687 1.097) 14.293 23.878 ( 6.713 1.537 -4.706) 8.341 24.028 ( -4.491 0.758 -8.150) 9.337 24.422 ( -0.042 3.772 5.891) 6.995 24.679 ( -5.571 1.191 0.860) 5.761 25.308 ( 3.346 4.291 11.282) 12.525 25.959 ( -3.325 6.891 -6.136) 9.808 26.708 ( 3.271 -9.600 3.754) 10.814 26.986 ( 1.486 -7.544 -2.204) 7.999 ======================= Grid point 98 (42/95) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 3.700 46.569 9.384) 47.649 2.226 ( -9.512 48.424 37.316) 61.869 3.336 ( -4.026 1.999 -36.998) 37.270 3.455 ( 8.182 54.425 45.047) 71.121 4.142 ( 10.067 25.058 -40.402) 48.596 5.482 ( -2.160 -5.790 23.888) 24.675 5.993 ( -8.206 11.355 7.915) 16.091 6.137 ( 4.030 12.505 -12.640) 18.231 6.370 ( 2.053 7.188 -3.842) 8.405 6.490 ( -6.969 16.444 0.016) 17.860 6.816 ( -4.662 4.267 -4.432) 7.719 7.044 ( -4.131 -5.247 -17.455) 18.689 7.430 ( 2.807 -3.615 -6.218) 7.721 7.478 ( -0.043 -2.601 -9.534) 9.882 7.531 ( -5.114 -14.574 1.776) 15.548 7.709 ( 4.026 -7.007 -5.704) 9.892 7.897 ( -10.621 6.993 6.820) 14.430 7.952 ( 7.889 3.389 1.267) 8.679 8.044 ( 6.018 -20.759 3.210) 21.851 8.148 ( -1.147 -10.746 -0.243) 10.810 8.217 ( 20.000 -4.241 6.873) 21.569 8.520 ( -21.462 1.384 -7.235) 22.691 8.858 ( 9.023 -2.037 5.569) 10.797 8.985 ( 8.081 -4.649 -3.542) 9.973 9.131 ( 2.332 -2.944 8.228) 9.045 9.167 ( 0.240 0.517 7.013) 7.036 9.294 ( -7.098 -5.983 2.601) 9.641 9.386 ( -1.604 -0.484 2.585) 3.080 9.604 ( -12.898 -6.429 -0.018) 14.411 9.650 ( -0.654 -6.795 -7.155) 9.889 9.761 ( 9.050 0.675 11.176) 14.397 10.014 ( -6.087 5.682 6.859) 10.788 10.160 ( 8.432 10.212 12.011) 17.879 10.228 ( -8.866 -2.163 1.563) 9.259 10.347 ( -4.637 5.096 6.085) 9.192 10.586 ( -5.203 8.176 -1.242) 9.771 10.710 ( 4.880 6.514 -3.396) 8.819 10.812 ( 0.338 13.606 -1.967) 13.752 10.915 ( 4.002 18.912 -1.772) 19.412 10.984 ( -3.287 10.322 -0.113) 10.833 11.154 ( 11.106 17.714 -2.341) 21.038 11.507 ( 4.249 6.622 -3.873) 8.769 11.520 ( -3.232 8.745 -1.700) 9.477 11.761 ( 3.643 7.667 -3.163) 9.059 11.843 ( 3.799 4.200 0.381) 5.676 11.934 ( -4.429 18.454 11.358) 22.117 12.166 ( 2.494 14.718 -6.568) 16.309 12.182 ( -5.615 16.469 -4.506) 17.974 12.264 ( -5.189 10.555 2.553) 12.035 12.311 ( -1.437 18.320 0.211) 18.377 12.609 ( -0.824 -3.526 7.365) 8.207 12.694 ( -1.465 5.787 -11.401) 12.869 12.856 ( 2.345 2.686 -6.704) 7.593 13.098 ( 2.713 8.354 -15.363) 17.697 13.515 ( -1.846 5.120 -1.753) 5.718 13.740 ( 2.428 0.964 -12.757) 13.022 14.039 ( 7.008 -2.171 0.336) 7.344 14.249 ( -15.053 -12.599 -10.845) 22.426 14.391 ( 4.352 -6.914 7.414) 11.032 14.669 ( -2.287 -10.274 4.085) 11.290 14.796 ( 4.725 -6.165 7.581) 10.854 14.948 ( -0.556 -0.766 8.818) 8.869 14.993 ( 4.198 -4.405 -1.296) 6.221 15.160 ( -2.026 -6.871 7.752) 10.555 15.256 ( -2.034 -6.737 4.858) 8.551 15.347 ( 6.057 -9.136 11.044) 15.560 15.556 ( 0.124 -11.494 0.761) 11.520 15.622 ( -0.358 -1.368 -7.210) 7.347 15.677 ( 5.209 1.097 -0.300) 5.331 15.874 ( -7.260 1.564 -4.429) 8.647 16.130 ( -3.614 4.003 6.002) 8.070 16.332 ( -9.293 -4.342 11.961) 15.757 16.482 ( 3.809 -0.996 -5.408) 6.689 16.658 ( 2.868 -5.909 -4.747) 8.104 16.740 ( 7.144 -7.981 1.815) 10.864 16.841 ( -2.795 -6.005 4.087) 7.783 16.956 ( -0.818 -0.575 -7.322) 7.390 17.119 ( 15.303 -9.625 5.290) 18.836 17.296 ( -4.665 -5.305 13.821) 15.522 17.462 ( -3.657 -2.213 -0.821) 4.353 17.643 ( -7.099 -13.448 -1.392) 15.270 17.660 ( -1.560 -3.216 -15.999) 16.393 17.741 ( 0.937 1.212 -2.621) 3.036 17.930 ( 3.945 -17.660 3.772) 18.484 18.014 ( 5.283 -1.724 -4.578) 7.200 18.180 ( 0.686 4.418 -2.462) 5.104 18.329 ( 6.707 -5.895 -4.003) 9.786 18.465 ( -3.814 -5.382 0.782) 6.643 18.593 ( -9.715 10.670 5.073) 15.296 18.874 ( 3.362 0.941 -5.052) 6.142 18.943 ( -7.284 4.934 -7.405) 11.499 18.994 ( -1.721 6.272 -6.134) 8.940 19.097 ( 14.906 10.076 2.001) 18.103 19.198 ( -4.057 1.173 -3.337) 5.382 19.429 ( -1.930 -6.430 5.452) 8.648 19.526 ( 4.659 -1.162 -4.015) 6.259 19.785 ( -0.918 -6.094 0.466) 6.180 19.876 ( -0.153 -6.878 -3.763) 7.841 20.051 ( -0.235 -1.439 -0.385) 1.508 20.129 ( -0.048 -4.930 -2.488) 5.523 20.287 ( -2.391 -0.716 11.166) 11.441 20.550 ( 4.106 6.588 -2.326) 8.103 20.846 ( -8.609 1.786 11.368) 14.371 21.054 ( -1.302 -1.260 11.643) 11.783 22.114 ( -1.783 -0.587 -10.136) 10.308 22.184 ( -2.951 -7.979 -7.883) 11.599 22.743 ( 2.945 -1.109 3.390) 4.625 22.908 ( -1.030 -1.365 -3.546) 3.937 23.225 ( 0.021 3.130 0.897) 3.256 23.267 ( 2.727 6.017 -0.520) 6.626 23.336 ( -3.656 4.741 0.344) 5.997 23.415 ( 0.549 11.826 3.992) 12.494 23.878 ( -4.081 2.801 -8.423) 9.770 23.912 ( 2.033 2.166 -8.047) 8.577 24.440 ( 1.427 0.143 10.455) 10.553 24.632 ( 1.803 0.452 -2.640) 3.229 25.319 ( 0.907 4.725 12.515) 13.408 25.803 ( -0.704 6.837 -7.502) 10.174 26.876 ( -3.311 -8.309 6.225) 10.897 27.142 ( 8.681 -8.795 -3.188) 12.762 ======================= Grid point 101 (43/95) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 51.868 -0.000 1.790) 51.899 3.093 ( 40.472 -0.000 -13.194) 42.569 4.230 ( 35.679 -0.000 -29.802) 46.488 4.404 ( 48.073 -0.000 31.805) 57.642 5.597 ( 16.751 -0.000 1.107) 16.788 5.926 ( -6.052 0.000 -14.816) 16.004 6.276 ( 34.811 -0.000 25.894) 43.386 6.289 ( 5.188 -0.000 -11.020) 12.180 6.423 ( 6.639 -0.000 12.797) 14.417 6.707 ( -2.287 0.000 2.379) 3.299 6.766 ( 8.511 -0.000 -11.117) 14.001 6.992 ( 21.760 -0.000 20.042) 29.584 7.054 ( 1.728 -0.000 -2.300) 2.876 7.525 ( 0.410 -0.000 -5.991) 6.005 7.563 ( 9.649 -0.000 -1.168) 9.720 7.643 ( 4.751 -0.000 8.635) 9.856 7.709 ( -7.825 0.000 0.884) 7.875 7.789 ( -2.687 0.000 -8.061) 8.497 7.976 ( 9.135 -0.000 11.019) 14.314 7.989 ( 7.766 -0.000 -6.765) 10.299 8.390 ( 3.119 -0.000 2.122) 3.772 8.470 ( -2.330 0.000 -2.674) 3.547 8.714 ( -0.414 0.000 -14.353) 14.359 8.769 ( 4.732 -0.000 -6.254) 7.842 9.002 ( -4.247 0.000 -6.331) 7.623 9.145 ( 7.064 -0.000 2.847) 7.616 9.194 ( 10.216 -0.000 8.364) 13.203 9.501 ( 5.876 -0.000 5.865) 8.301 9.735 ( -4.291 0.000 -6.280) 7.606 9.912 ( 3.053 -0.000 5.368) 6.176 9.974 ( 6.699 -0.000 -3.086) 7.376 10.006 ( -2.694 0.000 0.075) 2.695 10.089 ( -4.983 0.000 4.690) 6.843 10.310 ( -0.626 0.000 -5.903) 5.936 10.771 ( 4.956 -0.000 -9.409) 10.634 10.827 ( -1.589 0.000 3.522) 3.864 11.021 ( -10.216 0.000 7.865) 12.893 11.088 ( 6.544 -0.000 7.505) 9.957 11.292 ( 13.226 -0.000 -0.303) 13.230 11.334 ( 8.649 -0.000 -12.555) 15.246 11.456 ( 5.180 -0.000 -4.380) 6.783 11.618 ( 4.612 -0.000 -5.241) 6.981 11.882 ( 11.614 -0.000 -1.966) 11.779 12.013 ( 4.056 -0.000 4.313) 5.920 12.115 ( 13.413 -0.000 9.507) 16.441 12.150 ( 11.688 -0.000 -3.230) 12.126 12.226 ( 5.430 -0.000 -1.294) 5.582 12.438 ( 12.045 -0.000 5.191) 13.116 12.588 ( 27.164 -0.000 16.418) 31.741 12.652 ( 27.328 -0.000 -1.963) 27.399 12.928 ( 0.287 -0.000 -0.492) 0.570 12.973 ( 2.233 -0.000 3.343) 4.020 13.186 ( 6.963 -0.000 -11.680) 13.598 13.364 ( 4.338 -0.000 -5.994) 7.399 13.404 ( 15.659 -0.000 -2.458) 15.851 13.700 ( 4.692 -0.000 3.392) 5.790 13.747 ( 12.411 -0.000 -5.307) 13.498 14.134 ( -7.966 0.000 9.615) 12.487 14.262 ( -10.146 0.000 3.880) 10.862 14.346 ( -15.000 0.000 -4.561) 15.679 14.499 ( -11.490 0.000 -6.197) 13.054 14.619 ( 1.236 -0.000 14.244) 14.297 14.864 ( -12.370 0.000 14.805) 19.293 15.129 ( -8.685 0.000 -4.188) 9.642 15.151 ( -15.527 0.000 -0.816) 15.548 15.222 ( -8.585 0.000 -8.341) 11.970 15.488 ( 0.738 -0.000 1.568) 1.733 15.526 ( -13.931 0.000 -9.406) 16.809 15.593 ( -3.219 0.000 4.286) 5.360 15.750 ( 2.172 -0.000 5.568) 5.976 15.880 ( -18.245 0.000 -3.868) 18.650 16.160 ( 7.833 -0.000 -8.953) 11.896 16.295 ( -4.262 0.000 9.667) 10.565 16.412 ( -18.032 0.000 -0.929) 18.056 16.575 ( -6.804 0.000 -15.336) 16.778 16.905 ( -6.329 0.000 -7.070) 9.489 17.155 ( -22.529 0.000 12.705) 25.864 17.198 ( -18.891 0.000 -11.348) 22.037 17.210 ( -14.316 0.000 0.160) 14.317 17.311 ( -1.016 0.000 8.710) 8.769 17.441 ( 12.193 -0.000 4.721) 13.075 17.481 ( -1.539 0.000 -10.381) 10.494 17.796 ( -3.363 0.000 -1.685) 3.761 17.861 ( -12.396 0.000 -7.196) 14.333 17.872 ( 2.251 -0.000 1.062) 2.489 18.247 ( -4.604 0.000 3.532) 5.803 18.253 ( -5.997 0.000 2.383) 6.453 18.547 ( 9.729 -0.000 1.080) 9.788 18.565 ( -1.005 0.000 5.641) 5.730 18.672 ( 3.781 -0.000 4.770) 6.086 18.686 ( 9.259 -0.000 1.047) 9.318 18.938 ( -4.232 0.000 1.366) 4.447 19.118 ( -5.973 0.000 -5.019) 7.801 19.160 ( 4.014 -0.000 -6.441) 7.590 19.434 ( 4.477 -0.000 -1.325) 4.669 19.460 ( -6.120 0.000 -1.246) 6.245 19.720 ( 1.556 -0.000 -3.592) 3.915 19.799 ( -1.639 0.000 3.182) 3.579 19.989 ( -4.269 0.000 4.935) 6.526 20.125 ( 0.599 -0.000 3.317) 3.370 20.359 ( 2.918 -0.000 6.709) 7.316 20.386 ( -5.471 0.000 4.445) 7.049 21.098 ( 15.553 -0.000 -6.424) 16.827 21.454 ( -2.254 0.000 6.747) 7.113 21.472 ( -6.436 0.000 -7.195) 9.653 21.990 ( -12.955 0.000 -1.148) 13.006 22.847 ( 8.735 -0.000 3.159) 9.288 22.876 ( 3.991 -0.000 -4.189) 5.786 23.343 ( 1.639 -0.000 3.499) 3.864 23.345 ( 0.195 -0.000 -0.600) 0.631 23.614 ( 0.778 -0.000 -6.372) 6.419 23.662 ( 8.548 -0.000 -3.849) 9.375 23.769 ( -2.075 0.000 8.103) 8.365 23.960 ( 11.913 -0.000 3.172) 12.328 24.502 ( -1.365 0.000 -5.250) 5.425 24.608 ( -3.890 0.000 1.369) 4.124 25.725 ( 7.390 -0.000 12.951) 14.911 25.815 ( 8.381 -0.000 -13.449) 15.847 26.517 ( -9.671 0.000 5.686) 11.219 26.989 ( -11.521 0.000 -6.331) 13.146 ======================= Grid point 102 (44/95) ======================= q-point: ( 0.33 0.22 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.682 ( 46.423 -4.433 -1.834) 46.671 3.852 ( 50.209 -14.117 2.470) 52.214 4.539 ( 34.988 7.917 -17.063) 39.724 5.086 ( 45.144 13.144 26.872) 54.155 5.543 ( 4.387 22.595 -10.119) 25.143 5.841 ( 3.637 24.430 -7.134) 25.709 6.100 ( 5.839 1.541 -5.422) 8.116 6.547 ( 5.822 0.862 19.748) 20.607 6.618 ( -1.891 15.552 -1.070) 15.703 6.676 ( 0.541 15.788 -3.705) 16.226 6.773 ( 11.451 -2.338 -2.614) 11.977 7.118 ( 8.936 11.273 -3.738) 14.863 7.274 ( 2.264 14.812 -3.439) 15.373 7.451 ( -3.719 0.111 -5.627) 6.746 7.629 ( 20.917 0.251 7.939) 22.374 7.703 ( 10.479 0.955 -5.798) 12.014 7.884 ( 18.662 0.480 15.299) 24.136 7.972 ( 20.526 -13.210 15.215) 28.763 8.127 ( 22.483 4.380 -5.497) 23.556 8.209 ( 12.754 -2.600 2.840) 13.323 8.339 ( 1.075 4.565 -6.638) 8.128 8.459 ( -2.111 -6.398 -0.252) 6.742 8.653 ( 2.846 0.804 -12.951) 13.284 8.834 ( 10.884 6.386 2.926) 12.954 8.983 ( 2.042 -1.371 1.388) 2.824 9.229 ( 3.732 -5.162 -0.525) 6.391 9.541 ( 1.693 15.460 3.519) 15.946 9.571 ( 3.242 -13.946 -2.679) 14.566 9.702 ( -0.725 -9.874 -0.084) 9.901 9.885 ( -6.066 4.017 7.815) 10.677 9.970 ( 1.527 0.673 1.214) 2.064 10.111 ( 8.382 -5.880 0.941) 10.282 10.176 ( -6.485 -10.843 -0.149) 12.636 10.378 ( 7.768 -10.618 0.573) 13.168 10.706 ( -0.508 1.406 -8.314) 8.447 10.862 ( -8.669 -3.003 4.091) 10.045 10.953 ( -2.674 -13.557 -0.252) 13.821 11.179 ( -3.183 16.712 -0.525) 17.021 11.246 ( -1.109 -9.661 -6.116) 11.487 11.438 ( 4.799 0.838 -2.492) 5.472 11.471 ( 13.004 -1.024 -20.140) 23.996 11.675 ( 5.483 -3.061 1.516) 6.460 12.015 ( 8.523 0.267 2.913) 9.011 12.221 ( 10.138 -9.121 0.628) 13.652 12.230 ( 2.465 0.171 1.451) 2.865 12.341 ( 10.935 -1.021 -2.434) 11.249 12.506 ( 8.535 -9.622 -1.470) 12.946 12.567 ( 4.619 -7.449 3.991) 9.631 12.825 ( 1.475 1.584 15.812) 15.960 12.943 ( 1.821 6.056 5.009) 8.067 13.107 ( 20.063 -8.064 0.861) 21.640 13.136 ( 12.743 -3.274 8.007) 15.402 13.175 ( 3.128 -2.972 -11.610) 12.386 13.553 ( 13.305 -8.185 -4.170) 16.168 13.567 ( 6.518 1.089 -5.035) 8.307 13.730 ( 4.057 11.419 0.524) 12.130 13.796 ( 3.142 2.704 5.655) 7.012 14.039 ( -9.364 0.386 6.788) 11.572 14.123 ( -11.525 -0.200 3.016) 11.914 14.217 ( -8.411 -10.309 -1.051) 13.346 14.322 ( 3.644 13.833 -5.826) 15.446 14.595 ( -5.972 8.525 -3.357) 10.936 14.764 ( 0.992 5.113 12.659) 13.688 14.914 ( -17.624 -5.657 0.474) 18.516 14.990 ( -6.511 -3.968 2.415) 7.998 15.156 ( -8.078 -5.271 -6.166) 11.448 15.350 ( -7.342 1.375 0.620) 7.496 15.416 ( -3.559 3.420 -0.015) 4.936 15.582 ( -5.216 -5.972 -0.598) 7.952 15.627 ( -11.059 2.213 0.552) 11.292 15.810 ( -5.754 8.068 9.201) 13.523 16.082 ( -11.914 6.342 -14.472) 19.789 16.206 ( -10.348 -2.961 -4.050) 11.500 16.252 ( -2.039 -0.586 9.213) 9.454 16.384 ( -9.883 -0.569 -10.637) 14.531 16.666 ( -19.764 8.300 3.369) 21.699 16.729 ( -8.628 7.682 1.710) 11.678 16.930 ( -14.603 5.019 -3.782) 15.898 17.038 ( -10.822 -2.233 -5.384) 12.292 17.298 ( -7.057 3.912 -0.067) 8.069 17.326 ( -5.633 -2.231 0.913) 6.128 17.652 ( -10.219 2.064 -4.026) 11.176 17.678 ( -5.750 -8.947 -3.804) 11.295 17.753 ( -0.967 -3.728 -7.813) 8.711 18.012 ( 12.548 -0.049 9.202) 15.561 18.180 ( -2.532 -1.121 3.800) 4.702 18.285 ( 1.826 -2.249 1.821) 3.422 18.544 ( -2.824 2.462 6.024) 7.094 18.602 ( 3.970 1.953 -6.546) 7.901 18.684 ( 2.029 0.857 1.361) 2.589 18.854 ( 1.493 -3.665 -1.393) 4.196 18.955 ( 1.820 -3.455 3.935) 5.544 19.108 ( 5.474 -0.447 0.972) 5.577 19.246 ( 7.942 -2.628 -1.846) 8.566 19.407 ( 0.002 -1.519 -4.342) 4.600 19.497 ( 2.241 -2.396 -0.649) 3.344 19.704 ( -0.475 2.382 -0.723) 2.534 19.828 ( -0.663 -1.602 5.949) 6.197 19.974 ( 1.277 0.144 5.261) 5.416 20.122 ( 0.514 2.583 1.294) 2.935 20.301 ( -4.353 3.447 2.135) 5.949 20.386 ( -2.069 2.509 3.589) 4.843 21.209 ( 5.323 5.901 -6.836) 10.483 21.306 ( -8.014 -2.926 -5.478) 10.139 21.447 ( 0.414 2.498 4.581) 5.234 21.915 ( -9.525 -10.429 -3.278) 14.500 22.870 ( 8.971 6.206 0.045) 10.908 23.060 ( 8.547 -3.880 -0.072) 9.386 23.338 ( -0.397 -1.030 -0.827) 1.379 23.373 ( -1.171 -1.499 -0.463) 1.958 23.518 ( -2.701 5.043 -3.118) 6.516 23.748 ( -3.080 -7.832 1.940) 8.636 23.827 ( 11.778 7.140 6.352) 15.167 24.149 ( 9.273 -2.438 1.220) 9.666 24.396 ( -2.812 3.203 -4.278) 6.039 24.638 ( -6.530 -9.116 1.170) 11.275 25.677 ( 5.043 14.521 -1.045) 15.407 26.010 ( 6.594 -8.877 -1.465) 11.154 26.435 ( -5.676 -0.101 5.914) 8.198 26.818 ( -9.551 -0.726 -4.768) 10.700 ======================= Grid point 103 (45/95) ======================= q-point: ( 0.44 0.22 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.261 ( 24.529 -2.956 -2.314) 24.815 4.717 ( 32.469 -6.512 5.270) 33.533 4.909 ( 33.689 0.116 1.574) 33.726 5.241 ( 27.559 29.804 -12.421) 42.450 5.338 ( 11.984 35.943 -7.494) 38.622 5.607 ( 28.279 20.204 15.268) 37.961 6.176 ( 1.819 8.228 -0.718) 8.457 6.220 ( -5.985 27.355 0.204) 28.003 6.299 ( 14.494 26.451 -4.217) 30.455 6.680 ( 12.159 14.778 9.157) 21.215 6.778 ( 10.169 7.487 5.221) 13.665 7.042 ( 11.488 12.581 -8.909) 19.225 7.288 ( 9.678 7.687 6.780) 14.097 7.397 ( 4.599 7.602 -0.638) 8.908 7.764 ( 11.428 7.203 -0.595) 13.521 7.861 ( 7.616 -1.031 -5.074) 9.209 8.060 ( 12.421 11.518 12.304) 20.937 8.213 ( -4.944 -10.593 -14.860) 18.906 8.254 ( 5.653 2.958 -6.929) 9.419 8.373 ( 13.517 2.671 -13.399) 19.219 8.401 ( 5.441 1.492 5.458) 7.850 8.604 ( -0.120 4.213 -3.264) 5.331 8.772 ( 12.373 -1.789 7.667) 14.665 9.023 ( 9.053 1.236 2.185) 9.395 9.145 ( 18.858 -6.488 12.044) 23.297 9.362 ( 1.623 -7.609 -2.586) 8.199 9.416 ( 9.686 11.956 5.839) 16.458 9.598 ( -10.326 6.082 3.910) 12.606 9.676 ( -2.700 -2.618 0.461) 3.788 9.795 ( -2.397 0.611 -1.108) 2.711 9.970 ( -9.673 -4.619 0.669) 10.740 10.173 ( -4.624 -2.373 5.021) 7.226 10.225 ( 1.661 0.212 -6.366) 6.582 10.608 ( -1.264 -10.443 -1.420) 10.615 10.839 ( 13.427 -11.198 9.452) 19.876 10.869 ( 1.407 4.837 -3.375) 6.064 10.931 ( -7.417 -3.587 6.695) 10.616 11.193 ( -3.378 -15.831 0.415) 16.193 11.297 ( -11.054 -12.777 -7.994) 18.691 11.420 ( 3.620 -1.206 -9.487) 10.226 11.666 ( 11.253 -7.347 -10.889) 17.297 11.853 ( 11.280 4.307 2.922) 12.423 12.118 ( 6.990 5.505 2.216) 9.170 12.201 ( -4.702 4.450 -5.688) 8.618 12.290 ( -7.412 3.627 -8.962) 12.182 12.428 ( -0.923 -2.869 1.200) 3.244 12.612 ( 7.003 -4.729 -3.104) 9.002 12.781 ( -4.187 -7.500 -4.730) 9.806 12.853 ( 0.930 6.776 12.399) 14.160 12.946 ( 1.180 -2.296 3.649) 4.470 13.033 ( -2.733 4.811 -5.016) 7.469 13.261 ( -4.804 -5.042 2.816) 7.512 13.366 ( -1.413 2.157 -1.540) 3.003 13.519 ( 5.856 -2.888 3.343) 7.336 13.704 ( 8.532 3.835 1.962) 9.558 13.811 ( -0.334 5.623 9.063) 10.671 13.911 ( 5.616 -5.226 -2.190) 7.978 14.036 ( -1.279 -3.473 5.419) 6.563 14.057 ( 1.674 -7.061 3.228) 7.942 14.259 ( 10.618 -5.610 -5.207) 13.089 14.301 ( 3.163 -2.837 -1.272) 4.435 14.484 ( -3.179 -7.495 -0.224) 8.145 14.666 ( -7.740 8.297 7.740) 13.735 14.759 ( -6.680 5.367 -3.436) 9.232 14.958 ( -5.955 5.394 0.892) 8.084 15.168 ( 0.243 -3.072 3.031) 4.322 15.265 ( -2.716 -0.032 1.944) 3.340 15.353 ( -5.465 4.859 0.800) 7.357 15.414 ( -4.005 -2.608 -3.237) 5.772 15.607 ( -6.015 -9.447 0.258) 11.202 15.650 ( -10.108 -1.062 6.018) 11.812 15.714 ( -7.290 8.232 -8.684) 14.011 16.049 ( -13.000 -0.495 -1.293) 13.074 16.189 ( -18.778 -6.190 -7.894) 21.290 16.330 ( 0.691 -3.791 5.352) 6.595 16.455 ( -2.919 4.694 11.631) 12.878 16.639 ( -1.545 0.494 -4.361) 4.653 16.750 ( 2.312 1.159 -1.808) 3.156 16.869 ( -12.561 -1.341 -10.833) 16.641 17.166 ( -7.321 1.215 4.856) 8.868 17.271 ( -4.566 -2.636 -3.882) 6.547 17.464 ( -11.808 0.408 -2.768) 12.135 17.575 ( -7.705 -2.906 -10.064) 13.004 17.842 ( -1.423 -9.285 0.645) 9.416 18.110 ( 1.569 4.320 1.389) 4.802 18.189 ( -2.749 0.354 8.985) 9.403 18.400 ( -5.560 1.248 7.015) 9.038 18.474 ( 12.096 2.146 -4.391) 13.046 18.619 ( -0.742 -2.196 -5.598) 6.059 18.703 ( 3.424 0.627 1.034) 3.632 18.898 ( 3.421 1.464 0.827) 3.812 19.053 ( 1.824 -5.263 -1.388) 5.740 19.208 ( 5.009 0.465 5.676) 7.584 19.357 ( 3.380 0.945 0.167) 3.514 19.509 ( 8.692 -6.128 -3.609) 11.231 19.566 ( 1.210 -5.182 0.376) 5.335 19.650 ( -1.123 3.073 0.866) 3.384 19.831 ( -1.599 0.714 3.623) 4.024 20.035 ( 3.392 6.107 -2.722) 7.497 20.109 ( 0.742 -3.041 5.243) 6.106 20.177 ( -4.336 5.987 0.260) 7.397 20.320 ( -1.099 3.269 4.371) 5.568 21.035 ( -7.634 0.757 -8.788) 11.665 21.370 ( 1.114 -6.004 1.128) 6.209 21.420 ( 3.488 7.757 1.826) 8.698 21.915 ( -10.608 -11.296 -4.577) 16.157 22.926 ( 9.662 5.574 0.747) 11.179 23.165 ( 4.356 1.136 -1.268) 4.677 23.326 ( -3.929 0.689 -3.575) 5.356 23.352 ( 0.301 -0.737 0.056) 0.798 23.512 ( 5.081 -2.102 2.826) 6.182 23.713 ( -2.018 4.461 0.478) 4.919 23.995 ( 7.368 -2.429 6.754) 10.286 24.229 ( 3.976 4.631 -3.357) 6.966 24.382 ( -1.731 -8.923 -2.245) 9.363 24.632 ( -11.372 -6.538 1.953) 13.262 25.543 ( 7.148 14.760 -0.040) 16.400 26.160 ( 1.709 -4.437 -2.071) 5.186 26.416 ( -2.212 -2.062 3.231) 4.425 26.708 ( -6.070 -1.517 -1.951) 6.554 ======================= Grid point 104 (46/95) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.248 ( -7.084 21.667 4.998) 23.337 4.752 ( 1.808 42.778 -12.632) 44.641 4.819 ( 13.901 13.492 -2.296) 19.507 5.216 ( 9.441 39.815 4.235) 41.137 5.483 ( 9.880 20.899 0.628) 23.126 5.594 ( 36.660 0.511 -2.418) 36.743 6.114 ( 33.400 8.845 2.525) 34.644 6.214 ( 12.933 10.583 0.709) 16.726 6.399 ( 34.773 6.954 6.025) 35.970 6.760 ( 22.193 7.397 1.006) 23.414 6.863 ( 10.597 10.019 6.544) 15.984 7.010 ( 9.424 7.001 -7.275) 13.812 7.237 ( -2.648 10.918 5.459) 12.491 7.387 ( 13.868 13.451 5.046) 19.968 7.696 ( -0.549 11.849 -3.088) 12.257 7.868 ( 1.890 10.002 -14.514) 17.728 7.927 ( -4.551 24.559 3.710) 25.251 8.126 ( 6.657 12.376 5.539) 15.105 8.196 ( -2.819 0.701 -0.190) 2.911 8.386 ( 0.362 -0.039 -5.633) 5.645 8.458 ( -1.539 3.608 -4.322) 5.837 8.534 ( 3.425 5.923 10.060) 12.166 8.887 ( 2.460 0.337 2.587) 3.585 9.067 ( 0.164 -4.319 0.119) 4.324 9.284 ( 9.262 10.208 -9.348) 16.655 9.354 ( -5.244 6.883 0.633) 8.676 9.464 ( -1.319 5.180 5.673) 7.795 9.574 ( 2.573 -8.014 -3.440) 9.093 9.704 ( 8.018 -2.302 -2.187) 8.624 9.844 ( -6.715 3.840 4.838) 9.124 9.917 ( 4.360 -8.879 6.369) 11.764 10.176 ( -1.883 -1.759 6.655) 7.136 10.218 ( -1.123 -4.068 -10.075) 10.923 10.658 ( -6.684 -3.455 -5.084) 9.081 10.714 ( -7.586 6.624 -2.501) 10.376 10.920 ( -7.164 -1.093 5.910) 9.351 11.159 ( -9.219 -0.975 2.932) 9.723 11.172 ( -11.251 -4.894 -6.018) 13.666 11.335 ( 1.741 -4.063 1.490) 4.665 11.428 ( -6.246 2.031 -11.602) 13.332 11.566 ( -5.838 15.148 -6.398) 17.449 11.861 ( 1.193 -5.761 5.040) 7.746 11.982 ( 1.500 9.352 5.645) 11.026 12.085 ( -2.767 4.406 -1.138) 5.325 12.239 ( -2.363 -4.136 -4.774) 6.744 12.456 ( 2.176 4.074 0.190) 4.622 12.616 ( -0.077 1.469 -0.460) 1.541 12.750 ( 0.621 2.523 4.231) 4.965 12.799 ( -5.463 4.669 4.566) 8.515 12.939 ( -1.985 1.885 4.198) 5.012 13.004 ( 4.061 2.590 0.761) 4.876 13.296 ( 2.529 0.110 2.199) 3.353 13.430 ( -0.059 -0.331 0.094) 0.349 13.570 ( 1.442 1.661 7.278) 7.603 13.632 ( -2.307 1.838 1.824) 3.468 13.741 ( -0.563 4.080 -2.008) 4.582 13.987 ( -8.641 -2.945 -0.980) 9.181 14.078 ( 2.114 -3.223 -2.115) 4.396 14.242 ( 0.571 -8.849 -7.258) 11.458 14.359 ( -6.763 -0.374 -0.089) 6.774 14.485 ( 5.720 1.572 2.749) 6.538 14.499 ( 6.250 -9.423 -4.088) 12.024 14.675 ( 6.641 3.678 -8.042) 11.059 14.715 ( -4.114 -16.713 -4.947) 17.909 14.875 ( 14.222 1.420 2.175) 14.457 15.076 ( -3.469 0.546 -2.530) 4.328 15.191 ( -1.801 2.622 5.797) 6.613 15.424 ( -2.565 -2.757 -2.979) 4.802 15.475 ( 3.211 -11.431 0.557) 11.886 15.487 ( -6.931 10.097 2.163) 12.437 15.718 ( 4.149 -8.809 1.925) 9.926 15.768 ( -0.880 -18.341 3.940) 18.780 15.941 ( -7.063 -9.680 7.581) 14.180 16.068 ( -14.380 -10.361 6.278) 18.802 16.399 ( -6.348 -10.581 2.337) 12.558 16.471 ( 3.643 -2.709 -7.967) 9.169 16.603 ( -3.108 2.748 -11.170) 11.916 16.692 ( 2.317 -0.742 -0.085) 2.434 16.824 ( 3.795 3.302 8.748) 10.091 17.160 ( -1.433 -6.247 5.058) 8.165 17.255 ( -7.673 -5.083 -11.097) 14.417 17.319 ( -0.745 -3.291 -4.433) 5.571 17.525 ( -7.182 -7.559 -1.556) 10.542 17.873 ( -1.664 10.512 1.937) 10.817 18.038 ( -3.824 -4.509 0.639) 5.946 18.205 ( -3.747 -5.540 6.173) 9.101 18.281 ( -5.647 2.915 4.016) 7.517 18.519 ( -0.590 4.798 -1.789) 5.155 18.654 ( 3.069 -3.006 -6.233) 7.570 18.766 ( 3.633 -0.504 0.788) 3.751 18.908 ( 1.438 2.401 2.581) 3.808 19.135 ( 4.248 -1.912 -4.549) 6.511 19.238 ( 2.382 6.629 3.088) 7.691 19.371 ( 2.025 2.058 0.879) 3.018 19.576 ( -2.499 0.013 1.542) 2.937 19.631 ( 0.111 -3.504 0.981) 3.641 19.738 ( 4.820 -2.295 -2.605) 5.940 19.789 ( -0.887 0.660 -3.681) 3.843 19.915 ( -2.074 5.883 -3.167) 6.996 20.079 ( 1.770 2.682 3.758) 4.945 20.223 ( 2.280 -3.629 3.492) 5.529 20.299 ( 0.539 2.025 4.326) 4.807 20.977 ( -0.397 -3.715 -3.314) 4.994 21.330 ( 0.874 8.504 -0.741) 8.581 21.485 ( 1.198 -6.198 2.566) 6.815 21.899 ( -10.457 -10.502 -3.193) 15.160 22.953 ( 5.929 7.314 0.163) 9.417 23.196 ( 4.294 1.035 -3.757) 5.799 23.265 ( -1.140 0.297 -2.356) 2.634 23.348 ( -0.088 2.557 2.273) 3.423 23.567 ( -0.973 4.080 3.619) 5.540 23.723 ( 7.144 -4.148 -0.900) 8.310 24.089 ( 1.764 1.170 1.834) 2.801 24.159 ( 0.651 7.422 -4.218) 8.562 24.449 ( -8.407 -7.692 -1.721) 11.524 24.591 ( -6.791 -7.900 4.786) 11.464 25.486 ( 10.921 12.466 2.820) 16.811 26.172 ( -2.773 -1.514 -4.172) 5.233 26.432 ( -2.342 -2.134 2.587) 4.090 26.690 ( -1.458 -4.454 -0.819) 4.757 ======================= Grid point 105 (47/95) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.770 ( -5.282 32.371 0.208) 32.800 3.964 ( -5.131 50.432 -18.455) 53.948 4.525 ( 0.581 42.090 1.427) 42.118 5.011 ( 13.926 21.158 23.608) 34.626 5.358 ( 14.537 15.589 -12.612) 24.767 5.911 ( 8.227 14.661 6.001) 17.851 6.154 ( 12.664 8.395 -3.853) 15.675 6.372 ( -2.833 28.079 9.995) 29.939 6.608 ( 24.681 15.413 7.506) 30.051 6.841 ( -0.994 1.612 -5.352) 5.678 7.032 ( 12.840 4.396 6.363) 14.990 7.137 ( 12.584 -8.103 -3.678) 15.412 7.213 ( 18.787 1.532 -1.258) 18.891 7.386 ( -1.224 9.200 -4.558) 10.340 7.513 ( 21.782 6.759 8.852) 24.465 7.581 ( -2.712 12.751 1.990) 13.187 7.734 ( -0.614 10.591 -4.480) 11.516 7.947 ( -9.132 6.267 -7.183) 13.201 8.144 ( 0.038 10.472 0.483) 10.483 8.279 ( 4.058 13.686 -2.380) 14.472 8.392 ( -8.632 -2.743 3.754) 9.804 8.541 ( -5.629 -1.497 12.448) 13.744 8.887 ( -2.524 -0.653 -4.788) 5.452 9.059 ( 8.449 18.896 -15.684) 25.969 9.179 ( 6.609 1.151 0.643) 6.740 9.280 ( 1.586 -0.321 -4.578) 4.855 9.389 ( -9.623 -1.935 4.920) 10.979 9.571 ( -10.809 5.332 -3.523) 12.557 9.705 ( -1.743 4.195 -0.577) 4.579 9.783 ( 6.914 11.305 -5.875) 14.496 9.990 ( -9.979 3.843 6.295) 12.409 10.126 ( -2.861 -0.194 -8.858) 9.311 10.221 ( 2.464 2.795 3.393) 5.039 10.428 ( -5.147 5.785 -1.643) 7.916 10.589 ( -12.767 -3.791 -6.528) 14.832 10.814 ( -9.129 0.651 2.040) 9.376 10.912 ( -3.984 7.713 0.953) 8.733 11.038 ( -1.607 6.433 19.217) 20.329 11.317 ( 2.824 0.799 -9.038) 9.503 11.363 ( -4.155 -4.438 -3.291) 6.913 11.453 ( -0.774 2.387 0.798) 2.633 11.779 ( -8.684 5.430 8.951) 13.602 11.881 ( -0.262 5.743 5.751) 8.131 11.970 ( -11.592 -2.519 -6.382) 13.471 12.192 ( 0.875 10.300 4.096) 11.120 12.411 ( -5.201 5.102 1.981) 7.550 12.529 ( 4.272 12.002 -4.068) 13.373 12.676 ( -2.194 6.684 0.985) 7.103 12.755 ( -1.411 3.639 1.048) 4.041 12.925 ( -6.469 16.032 2.324) 17.443 13.069 ( 7.018 2.951 2.301) 7.953 13.172 ( 3.988 6.487 2.692) 8.077 13.408 ( -2.465 3.604 3.456) 5.569 13.499 ( 1.931 10.946 -2.240) 11.338 13.674 ( 0.046 -13.572 1.425) 13.647 13.865 ( 8.506 1.791 5.715) 10.403 13.900 ( -2.775 -0.845 0.822) 3.015 14.024 ( 2.370 8.416 -13.626) 16.190 14.242 ( -3.666 -6.911 -6.513) 10.179 14.346 ( -2.786 -8.367 -6.051) 10.695 14.460 ( 5.146 7.320 -6.012) 10.780 14.618 ( 5.939 3.465 -2.991) 7.498 14.759 ( 1.296 -6.101 -9.235) 11.144 14.848 ( 1.066 -9.935 2.180) 10.227 14.982 ( -2.147 -6.674 0.563) 7.033 15.091 ( -1.078 -3.481 7.837) 8.643 15.286 ( -4.202 3.238 2.274) 5.771 15.356 ( 1.222 -6.905 -1.570) 7.186 15.478 ( 1.035 -8.198 -6.035) 10.232 15.718 ( 8.570 -18.028 5.015) 20.581 15.911 ( -0.163 -13.691 0.025) 13.692 16.008 ( -3.486 -14.616 1.300) 15.082 16.088 ( -13.525 -15.257 10.782) 23.064 16.244 ( 2.919 -14.893 6.298) 16.432 16.459 ( 1.793 -11.001 -7.052) 13.190 16.563 ( 1.371 -10.852 3.551) 11.500 16.595 ( 5.678 -7.869 -9.686) 13.710 16.830 ( 6.254 1.179 8.957) 10.988 16.894 ( 9.102 -2.268 5.461) 10.854 17.134 ( -8.422 -4.532 -1.810) 9.733 17.238 ( -2.922 -0.072 -2.533) 3.868 17.415 ( 2.296 -5.909 -8.302) 10.446 17.510 ( -3.237 -0.583 1.629) 3.670 17.763 ( 1.700 -5.940 2.110) 6.529 18.061 ( -1.391 2.287 4.524) 5.257 18.179 ( -1.602 6.268 2.005) 6.773 18.270 ( -4.986 -6.070 0.984) 7.917 18.478 ( -3.617 -7.827 3.810) 9.426 18.658 ( -1.898 0.472 -4.580) 4.980 18.746 ( -1.131 3.458 -2.352) 4.332 18.943 ( 0.714 -3.106 0.486) 3.224 19.135 ( -1.426 7.332 -0.842) 7.516 19.190 ( 5.346 1.206 -2.468) 6.010 19.331 ( 1.301 6.936 -2.795) 7.590 19.554 ( -2.281 -0.409 2.244) 3.226 19.643 ( -0.160 6.160 -10.600) 12.261 19.686 ( -2.144 -5.378 -1.039) 5.882 19.755 ( -2.722 1.776 -4.470) 5.527 19.899 ( 2.306 0.320 4.484) 5.052 20.129 ( 4.441 1.830 5.049) 6.968 20.275 ( -1.839 -0.667 6.186) 6.488 20.382 ( 3.994 -7.366 -0.035) 8.380 21.030 ( 0.839 -0.942 3.252) 3.488 21.212 ( 0.801 9.617 0.880) 9.690 21.622 ( 2.492 -9.446 0.721) 9.796 21.907 ( -7.316 -10.858 -3.034) 13.440 22.897 ( 1.653 7.235 -0.510) 7.439 23.128 ( -1.142 6.987 -7.839) 10.563 23.288 ( 2.859 1.213 0.569) 3.158 23.357 ( 4.934 0.842 4.695) 6.863 23.517 ( -2.265 1.394 0.289) 2.675 23.864 ( 3.022 -1.824 -0.626) 3.585 23.995 ( -1.419 10.341 0.878) 10.474 24.055 ( -0.666 2.716 -6.301) 6.894 24.442 ( -1.799 -4.322 0.765) 4.744 24.623 ( -7.166 -5.150 3.487) 9.489 25.496 ( 7.846 9.831 7.771) 14.785 26.105 ( -2.175 2.022 -7.974) 8.509 26.467 ( -1.633 -5.795 5.712) 8.299 26.761 ( 0.186 -7.291 -2.524) 7.718 ======================= Grid point 106 (48/95) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 3.126 57.773 -12.874) 59.273 3.310 ( -0.755 27.299 -14.484) 30.912 3.850 ( -9.204 48.091 3.619) 49.097 4.949 ( 11.325 26.765 -14.192) 32.343 5.334 ( -2.850 7.334 29.246) 30.286 5.359 ( 13.324 59.819 35.007) 70.578 6.108 ( -10.263 -2.740 0.940) 10.664 6.289 ( 4.569 2.667 1.785) 5.583 6.600 ( -4.695 9.824 -2.877) 11.262 6.783 ( -6.109 0.726 -7.385) 9.612 6.989 ( -2.965 6.385 -7.400) 10.214 7.124 ( -5.778 5.799 -6.262) 10.307 7.292 ( 0.752 -2.673 -3.649) 4.585 7.352 ( -9.622 3.692 2.689) 10.651 7.540 ( 7.611 -1.054 -0.048) 7.684 7.642 ( 8.996 3.337 -11.316) 14.836 7.694 ( -8.908 -2.658 -2.707) 9.683 7.794 ( 1.882 14.983 -9.977) 18.099 8.045 ( -2.702 -1.890 10.108) 10.632 8.218 ( 4.148 4.481 9.955) 11.679 8.258 ( 9.500 6.692 1.821) 11.762 8.555 ( -9.070 -1.705 0.807) 9.264 8.892 ( 13.555 3.571 -6.390) 15.405 9.004 ( 10.563 9.423 -7.295) 15.925 9.095 ( 3.323 6.787 2.443) 7.942 9.199 ( -5.560 3.692 0.284) 6.680 9.298 ( -4.338 -0.568 -1.294) 4.562 9.380 ( -17.577 -9.281 -3.811) 20.239 9.508 ( -8.138 5.851 -2.684) 10.376 9.661 ( 12.910 15.112 -3.777) 20.231 9.909 ( 9.416 6.567 7.115) 13.506 10.112 ( -2.892 1.528 1.104) 3.452 10.198 ( 1.977 1.060 -3.178) 3.890 10.316 ( -11.045 1.941 -2.085) 11.406 10.553 ( 7.017 -7.165 -1.405) 10.127 10.711 ( -0.340 4.356 -1.301) 4.559 10.761 ( -6.670 8.193 16.162) 19.309 11.115 ( 0.770 7.619 6.027) 9.745 11.246 ( 1.911 3.910 -0.412) 4.371 11.324 ( -7.942 -0.120 3.927) 8.861 11.498 ( 13.848 10.939 3.783) 18.048 11.696 ( -3.317 3.245 2.065) 5.079 11.776 ( 2.743 8.688 -1.549) 9.241 11.904 ( 6.945 2.992 0.846) 7.610 12.048 ( -3.359 7.762 4.272) 9.475 12.326 ( 2.687 13.823 -3.608) 14.537 12.344 ( 2.934 5.604 2.328) 6.740 12.535 ( -3.621 11.668 2.039) 12.386 12.604 ( -7.643 8.609 2.601) 11.802 12.658 ( 0.654 7.101 -4.627) 8.501 12.975 ( -4.260 19.457 -0.654) 19.929 13.059 ( 1.647 10.473 -2.173) 10.822 13.106 ( -1.985 22.079 -2.926) 22.361 13.562 ( -6.861 17.855 -16.006) 24.941 13.582 ( 2.117 -7.437 -0.665) 7.761 13.696 ( 2.677 1.107 -8.987) 9.442 13.976 ( -3.216 -1.668 -6.213) 7.192 14.103 ( -3.074 7.521 -5.668) 9.907 14.232 ( 5.942 -6.421 7.620) 11.602 14.442 ( 3.537 -8.334 -0.010) 9.054 14.655 ( 2.418 -3.396 2.661) 4.945 14.676 ( 10.726 -10.920 8.984) 17.748 14.856 ( 3.845 -10.270 -1.089) 11.021 14.989 ( -5.290 -5.178 4.889) 8.871 15.049 ( 2.082 -10.684 0.026) 10.885 15.161 ( -1.771 -3.925 4.149) 5.980 15.238 ( -2.133 -2.290 0.243) 3.139 15.474 ( 0.149 -8.350 -3.893) 9.214 15.540 ( 0.285 -7.363 -6.326) 9.712 15.922 ( -3.353 -4.190 -8.433) 9.996 16.070 ( -11.370 -12.901 9.016) 19.416 16.157 ( -8.158 -13.339 5.272) 16.501 16.275 ( -3.647 -19.264 1.551) 19.667 16.394 ( 13.289 -8.066 0.071) 15.546 16.591 ( -3.935 0.713 -7.314) 8.336 16.676 ( -4.351 -7.462 -3.166) 9.200 16.839 ( 5.156 -7.537 2.822) 9.558 16.893 ( -4.412 -6.242 5.321) 9.313 17.098 ( -9.844 -19.770 3.760) 22.403 17.187 ( 8.348 -3.024 8.572) 12.342 17.302 ( 14.942 -4.539 5.491) 16.553 17.470 ( 2.636 -9.004 -14.660) 17.405 17.579 ( 3.440 -2.886 8.318) 9.453 17.957 ( 4.299 3.455 -2.277) 5.967 17.977 ( 0.282 -4.907 -2.425) 5.481 18.095 ( 3.216 4.188 -0.310) 5.290 18.288 ( -4.501 -6.007 2.585) 7.939 18.449 ( -2.398 9.992 -2.012) 10.471 18.685 ( -8.394 -8.663 4.478) 12.867 18.751 ( 1.612 -11.955 -1.964) 12.222 18.956 ( -1.657 0.063 -1.397) 2.168 19.013 ( -1.433 4.147 -6.270) 7.653 19.230 ( -0.489 6.362 -0.641) 6.412 19.254 ( 3.508 -1.933 -0.007) 4.006 19.469 ( -2.001 8.305 -2.544) 8.913 19.524 ( -0.285 2.900 -9.203) 9.654 19.710 ( -2.571 -3.990 -2.180) 5.223 19.730 ( 3.341 -1.531 -3.360) 4.979 19.969 ( 1.664 -2.306 6.033) 6.670 20.147 ( 0.975 3.429 0.516) 3.602 20.276 ( -3.946 -0.208 10.228) 10.965 20.531 ( 0.984 -7.512 -2.376) 7.940 21.013 ( -2.498 6.170 6.163) 9.072 21.115 ( 1.214 6.118 6.725) 9.172 21.819 ( -2.509 -14.765 -1.149) 15.021 21.979 ( 4.590 -7.386 -6.054) 10.595 22.811 ( -1.513 5.267 0.409) 5.495 22.979 ( 0.983 6.213 -8.186) 10.324 23.302 ( 1.831 2.342 2.304) 3.761 23.424 ( -1.178 3.625 -1.648) 4.152 23.464 ( 4.971 3.269 4.351) 7.371 23.748 ( -5.476 9.451 5.524) 12.240 23.901 ( -5.333 -0.480 -11.032) 12.263 24.019 ( 6.593 5.511 -4.445) 9.675 24.495 ( 0.620 1.607 5.503) 5.767 24.598 ( -1.600 -3.899 -0.308) 4.226 25.467 ( -1.708 6.963 12.305) 14.241 26.002 ( 1.851 6.178 -9.411) 11.408 26.595 ( -2.076 -10.213 7.059) 12.587 26.876 ( 2.406 -9.359 -4.089) 10.493 ======================= Grid point 107 (49/95) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 22.069 50.506 -3.929) 55.257 2.842 ( -10.423 42.257 24.471) 49.931 3.149 ( 4.117 16.962 -33.751) 37.997 4.395 ( -8.258 32.967 -37.302) 50.462 4.994 ( 36.169 59.856 52.247) 87.296 5.602 ( 7.203 -1.427 28.967) 29.883 5.970 ( -8.331 -0.555 5.032) 9.748 6.197 ( -14.180 -1.273 -4.091) 14.814 6.417 ( -4.654 2.956 0.149) 5.515 6.568 ( -7.346 8.437 -5.607) 12.513 6.737 ( -11.621 2.176 -4.915) 12.804 6.948 ( -1.322 7.041 -8.196) 10.886 7.214 ( -10.196 -7.898 -8.839) 15.636 7.281 ( -7.837 -3.563 -8.662) 12.213 7.449 ( -4.944 3.878 -7.180) 9.541 7.595 ( -3.789 -10.370 2.201) 11.258 7.654 ( -21.697 -0.508 0.586) 21.710 7.767 ( -1.220 -1.968 -5.683) 6.136 7.947 ( -15.899 -0.069 -0.841) 15.922 8.098 ( 0.941 -3.659 5.487) 6.663 8.310 ( -1.497 -2.262 -3.062) 4.091 8.623 ( 15.481 2.757 0.437) 15.730 8.987 ( 11.931 9.034 -5.035) 15.790 9.054 ( 0.897 3.650 -3.473) 5.117 9.107 ( -3.476 -4.296 2.469) 6.053 9.268 ( 6.579 3.153 7.825) 10.698 9.320 ( 6.868 0.704 5.745) 8.982 9.368 ( 7.796 -9.497 -4.281) 13.011 9.467 ( 8.394 -8.831 5.363) 13.312 9.687 ( 14.783 12.185 -1.836) 19.245 9.893 ( -11.097 7.158 -0.335) 13.209 10.034 ( 8.080 4.545 10.036) 13.663 10.077 ( -10.094 0.574 -2.254) 10.359 10.298 ( 2.253 1.095 -3.170) 4.040 10.597 ( -0.619 11.024 4.568) 11.949 10.753 ( 11.892 9.372 18.995) 24.292 10.776 ( 10.192 -4.301 -1.719) 11.195 10.955 ( -1.189 6.920 -4.581) 8.383 11.151 ( 5.500 11.337 1.317) 12.670 11.295 ( 7.170 13.006 -2.117) 15.001 11.384 ( 1.317 11.463 -2.078) 11.725 11.592 ( -0.046 8.789 -5.562) 10.401 11.740 ( 5.233 7.947 1.399) 9.617 11.926 ( 7.445 3.180 0.806) 8.136 12.062 ( 10.129 8.585 0.162) 13.279 12.227 ( 7.507 11.894 6.866) 15.651 12.300 ( -3.200 13.279 -2.797) 13.942 12.363 ( 2.633 8.818 0.181) 9.205 12.404 ( -1.836 12.014 0.914) 12.187 12.476 ( -0.047 13.898 -0.732) 13.918 12.731 ( -1.021 5.909 -5.352) 8.038 12.804 ( 7.682 16.076 6.210) 18.869 12.959 ( 7.669 10.806 -5.066) 14.186 13.227 ( 2.758 11.984 -13.474) 18.242 13.518 ( -9.930 5.120 -9.670) 14.776 13.706 ( 4.339 1.162 -7.369) 8.630 13.927 ( -3.397 -2.450 -5.003) 6.525 14.098 ( 5.988 -2.556 -1.480) 6.677 14.336 ( -6.603 -6.692 7.246) 11.870 14.559 ( -1.249 -7.641 9.367) 12.153 14.711 ( -3.560 -7.339 -2.261) 8.465 14.882 ( -7.109 -3.083 8.493) 11.497 14.972 ( 2.382 -7.790 -2.981) 8.674 15.046 ( -5.096 -3.256 1.766) 6.300 15.190 ( -7.399 -7.140 -13.518) 16.984 15.256 ( 4.641 -7.062 10.069) 13.146 15.453 ( 12.757 -16.249 16.282) 26.304 15.550 ( -6.225 -8.311 0.700) 10.407 15.621 ( -2.046 -6.982 -6.020) 9.443 15.830 ( -3.764 5.101 0.553) 6.363 16.031 ( -8.327 -5.623 -5.404) 11.409 16.203 ( -4.238 -2.379 10.386) 11.466 16.379 ( -13.158 2.108 -7.159) 15.127 16.508 ( -1.510 -18.004 3.847) 18.472 16.657 ( -5.742 -10.118 -10.601) 15.739 16.748 ( 11.194 -11.782 4.064) 16.752 16.891 ( -8.095 -2.260 6.373) 10.548 17.063 ( -0.909 -16.530 1.950) 16.670 17.166 ( -7.666 -5.456 -2.348) 9.698 17.341 ( -2.914 0.055 -2.822) 4.057 17.532 ( 9.919 -11.180 11.290) 18.731 17.643 ( 7.786 0.956 -1.988) 8.092 17.762 ( 1.315 -10.850 -0.387) 10.936 17.880 ( 4.399 7.363 -3.479) 9.255 18.020 ( 4.307 -1.674 -4.282) 6.300 18.228 ( 6.091 -5.016 -5.510) 9.624 18.307 ( -4.459 -3.909 -5.097) 7.820 18.359 ( 4.128 1.067 2.697) 5.045 18.609 ( -7.415 2.295 10.507) 13.064 18.846 ( -6.865 0.355 -6.386) 9.382 18.958 ( 7.504 -0.287 -0.636) 7.536 18.989 ( 1.072 -0.182 -4.479) 4.609 19.091 ( -8.754 0.916 0.623) 8.824 19.328 ( 1.047 -3.442 0.060) 3.598 19.351 ( 0.089 4.319 -3.033) 5.278 19.520 ( 5.532 -3.045 -4.723) 7.885 19.691 ( -2.792 -0.826 -2.578) 3.889 19.842 ( 5.370 -4.825 -1.152) 7.310 20.009 ( -2.422 -0.142 1.437) 2.820 20.086 ( -2.920 2.018 1.180) 3.741 20.271 ( -3.818 -1.066 8.654) 9.519 20.574 ( -3.969 -4.504 -3.265) 6.834 20.858 ( -6.067 9.876 9.131) 14.755 21.162 ( 6.347 2.302 11.700) 13.508 21.837 ( -11.979 -8.870 -9.255) 17.545 22.224 ( 14.212 -4.656 -3.459) 15.350 22.719 ( -4.095 -0.798 -1.513) 4.438 22.965 ( 8.773 2.929 -3.175) 9.779 23.272 ( -1.352 5.475 1.979) 5.977 23.292 ( -4.241 3.754 -2.356) 6.135 23.506 ( 3.010 5.918 8.329) 10.651 23.602 ( 3.198 9.599 3.772) 10.798 23.769 ( -4.913 1.802 -11.553) 12.682 23.969 ( 0.425 4.164 -8.099) 9.116 24.472 ( -1.000 0.683 3.811) 3.999 24.699 ( 7.503 -0.236 1.717) 7.700 25.386 ( -6.870 2.394 12.368) 14.349 25.908 ( 4.829 8.620 -7.480) 12.393 26.699 ( -5.876 -8.749 3.148) 11.000 27.062 ( 3.457 -11.780 -2.009) 12.440 ======================= Grid point 111 (50/95) ======================= q-point: ( 0.33 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.220 ( 32.116 -0.000 -5.111) 32.520 4.502 ( 51.500 -0.000 9.883) 52.440 4.994 ( 31.832 -0.000 -1.959) 31.892 5.846 ( 26.164 -0.000 11.418) 28.547 5.917 ( 21.440 -0.000 -3.120) 21.666 5.982 ( 18.170 -0.000 -17.368) 25.135 6.386 ( 2.700 -0.000 -2.860) 3.933 6.452 ( 7.524 -0.000 7.334) 10.507 6.796 ( 3.890 -0.000 -10.181) 10.899 6.877 ( 4.573 -0.000 2.473) 5.199 7.001 ( 17.095 -0.000 9.002) 19.320 7.304 ( 1.585 -0.000 -5.119) 5.359 7.351 ( -3.301 0.000 7.658) 8.339 7.430 ( 9.757 -0.000 5.663) 11.281 7.764 ( 7.117 -0.000 -7.721) 10.500 7.796 ( 11.992 -0.000 -10.017) 15.625 8.054 ( 4.579 -0.000 -1.516) 4.824 8.251 ( -4.074 0.000 -0.175) 4.078 8.296 ( 12.053 -0.000 13.937) 18.426 8.319 ( 5.927 -0.000 0.314) 5.935 8.502 ( 20.864 -0.000 -3.758) 21.200 8.681 ( 28.222 -0.000 20.530) 34.900 8.702 ( 18.021 -0.000 -14.394) 23.064 9.072 ( 10.453 -0.000 -3.731) 11.098 9.241 ( -9.383 0.000 -2.978) 9.844 9.244 ( 21.745 -0.000 6.399) 22.667 9.344 ( -0.507 0.000 -0.241) 0.562 9.661 ( 4.621 -0.000 -4.676) 6.574 9.747 ( -12.973 0.000 0.465) 12.981 9.826 ( 10.361 -0.000 1.607) 10.484 10.045 ( 4.269 -0.000 -4.374) 6.112 10.120 ( 3.212 -0.000 17.024) 17.324 10.306 ( 18.073 -0.000 10.721) 21.013 10.316 ( 1.507 -0.000 -1.982) 2.490 10.687 ( 2.962 -0.000 -16.695) 16.956 10.695 ( -7.468 0.000 -0.755) 7.506 10.791 ( -6.204 0.000 10.527) 12.219 11.065 ( -4.978 0.000 -6.135) 7.901 11.320 ( -8.001 0.000 -14.229) 16.324 11.449 ( 6.304 -0.000 12.390) 13.902 11.572 ( 11.886 -0.000 -25.889) 28.487 11.756 ( 7.875 -0.000 5.582) 9.653 11.935 ( -1.012 0.000 -2.860) 3.034 12.257 ( -0.363 0.000 -3.765) 3.783 12.357 ( 11.034 -0.000 2.833) 11.391 12.445 ( 1.587 -0.000 -8.629) 8.774 12.565 ( 7.799 -0.000 5.936) 9.801 12.581 ( 1.180 -0.000 1.422) 1.848 12.854 ( -7.538 0.000 6.993) 10.282 13.047 ( 6.173 -0.000 -9.746) 11.536 13.089 ( 0.150 -0.000 15.746) 15.747 13.286 ( 1.566 -0.000 -0.044) 1.567 13.333 ( 13.728 -0.000 -0.541) 13.738 13.541 ( -11.493 0.000 -9.145) 14.687 13.664 ( 12.032 -0.000 -4.790) 12.951 13.802 ( 2.151 -0.000 7.141) 7.458 13.891 ( -4.865 0.000 0.722) 4.918 13.924 ( -4.991 0.000 -4.319) 6.600 14.002 ( -10.248 0.000 16.315) 19.267 14.092 ( 4.478 -0.000 11.866) 12.683 14.576 ( 0.905 -0.000 -7.534) 7.589 14.603 ( -11.239 0.000 -15.176) 18.885 14.639 ( 3.164 -0.000 7.495) 8.136 14.763 ( -7.556 0.000 8.998) 11.750 14.944 ( 7.319 -0.000 16.313) 17.880 14.995 ( -9.602 0.000 -3.432) 10.197 15.247 ( -10.804 0.000 -2.085) 11.003 15.314 ( -12.220 0.000 1.319) 12.291 15.395 ( -8.020 0.000 -2.480) 8.394 15.477 ( -12.378 0.000 -1.190) 12.435 15.841 ( -14.231 0.000 -2.862) 14.516 15.959 ( -11.958 0.000 4.333) 12.719 15.969 ( -4.177 0.000 -11.206) 11.960 16.152 ( -3.991 0.000 -4.406) 5.944 16.339 ( 2.678 -0.000 4.386) 5.139 16.433 ( -22.177 0.000 -3.162) 22.401 16.502 ( -16.328 0.000 11.861) 20.181 16.843 ( -3.032 0.000 -16.388) 16.666 16.878 ( -12.515 0.000 -2.189) 12.705 17.100 ( -11.915 0.000 -0.433) 11.922 17.319 ( -5.079 0.000 0.059) 5.079 17.444 ( -15.389 0.000 2.961) 15.671 17.604 ( -0.454 0.000 -0.496) 0.672 17.666 ( 2.844 -0.000 -13.289) 13.589 18.162 ( -2.025 0.000 11.330) 11.509 18.248 ( 0.826 -0.000 -4.775) 4.846 18.323 ( 17.255 -0.000 8.438) 19.208 18.603 ( 1.023 -0.000 7.955) 8.021 18.605 ( 2.670 -0.000 -7.432) 7.897 18.748 ( 2.660 -0.000 0.413) 2.692 18.890 ( 6.866 -0.000 -6.334) 9.341 18.927 ( -2.804 0.000 3.053) 4.145 19.265 ( 13.726 -0.000 1.387) 13.796 19.314 ( 5.280 -0.000 -0.295) 5.288 19.401 ( 4.829 -0.000 -6.000) 7.702 19.470 ( -1.929 0.000 0.561) 2.009 19.698 ( -3.541 0.000 0.488) 3.574 19.880 ( 3.274 -0.000 6.326) 7.123 20.001 ( -1.348 0.000 10.822) 10.906 20.151 ( -0.399 0.000 0.154) 0.428 20.286 ( 0.223 -0.000 -2.129) 2.140 20.371 ( -4.270 0.000 1.616) 4.566 21.041 ( -15.821 0.000 -5.142) 16.635 21.306 ( 1.440 -0.000 -5.103) 5.303 21.547 ( 7.552 -0.000 1.704) 7.742 21.719 ( -7.034 0.000 -2.311) 7.404 23.013 ( 7.673 -0.000 -3.069) 8.264 23.231 ( 14.282 -0.000 3.857) 14.793 23.298 ( -0.618 0.000 -1.991) 2.085 23.327 ( -4.298 0.000 -1.768) 4.647 23.585 ( -0.032 0.000 -0.847) 0.848 23.594 ( -3.696 0.000 7.065) 7.973 24.039 ( 6.837 -0.000 2.369) 7.236 24.202 ( 2.967 -0.000 -1.407) 3.283 24.402 ( -2.379 0.000 -6.602) 7.017 24.447 ( -8.190 0.000 5.152) 9.676 25.844 ( 4.263 -0.000 -11.297) 12.075 26.018 ( 5.399 -0.000 7.761) 9.454 26.398 ( -4.259 0.000 7.330) 8.477 26.672 ( -6.432 0.000 -5.353) 8.368 ======================= Grid point 112 (51/95) ======================= q-point: ( 0.44 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.503 ( 11.820 1.997 1.719) 12.110 5.209 ( 34.978 3.047 7.861) 35.980 5.420 ( 30.520 6.969 3.057) 31.454 5.775 ( 15.239 18.817 -14.008) 27.974 6.132 ( 17.273 21.758 0.225) 27.782 6.186 ( 10.639 15.963 -1.528) 19.244 6.276 ( 15.939 7.308 -7.243) 18.972 6.613 ( 9.873 17.674 -4.689) 20.780 6.705 ( 8.133 0.589 12.008) 14.515 6.998 ( 13.687 2.489 6.723) 15.451 7.057 ( 6.184 4.614 -2.134) 8.005 7.298 ( 4.277 13.472 -6.686) 15.636 7.482 ( 6.484 5.204 5.622) 10.036 7.595 ( 14.343 -6.964 7.626) 17.674 7.835 ( -1.667 -0.374 -9.141) 9.299 7.968 ( 9.729 -4.272 3.823) 11.292 7.999 ( -1.136 3.380 -3.130) 4.744 8.227 ( -5.195 -3.325 2.186) 6.544 8.372 ( 16.560 6.456 -0.909) 17.798 8.529 ( 7.082 1.039 15.001) 16.622 8.646 ( 5.314 6.954 -4.272) 9.739 8.792 ( 11.357 16.695 -9.079) 22.140 8.964 ( 7.265 4.853 -0.019) 8.737 9.153 ( 6.738 5.761 -3.133) 9.402 9.208 ( 0.774 -10.191 -0.398) 10.228 9.385 ( -8.476 -10.196 -0.902) 13.290 9.563 ( 10.458 -5.073 5.323) 12.784 9.644 ( 3.359 -7.215 2.214) 8.261 9.678 ( 7.983 8.428 -9.008) 14.693 9.822 ( 4.606 12.746 2.604) 13.800 10.071 ( 8.949 10.972 -2.544) 14.386 10.187 ( 0.621 4.945 8.047) 9.466 10.327 ( 5.853 14.382 -1.024) 15.561 10.436 ( 2.862 -7.271 0.009) 7.814 10.699 ( -8.441 -12.478 -0.176) 15.065 10.768 ( -4.828 -14.109 -9.527) 17.696 10.974 ( 3.064 -6.018 16.238) 17.586 11.074 ( 4.275 10.497 -0.570) 11.348 11.203 ( 15.231 -7.070 10.610) 19.863 11.443 ( 1.905 6.951 -5.333) 8.966 11.681 ( 9.582 -4.559 -7.615) 13.061 11.933 ( -4.454 -17.297 -9.926) 20.434 12.069 ( 12.384 2.046 -2.496) 12.797 12.144 ( -9.248 5.160 -7.015) 12.702 12.285 ( -6.858 4.911 -8.164) 11.739 12.464 ( -3.906 4.302 -0.700) 5.852 12.584 ( 0.201 -9.312 -1.678) 9.464 12.626 ( 0.342 1.010 -0.899) 1.394 12.826 ( -5.324 -8.193 1.580) 9.898 13.020 ( -2.207 1.463 3.583) 4.455 13.131 ( -2.699 3.725 4.601) 6.506 13.169 ( -0.599 3.977 4.341) 5.918 13.364 ( -0.275 6.668 2.375) 7.084 13.555 ( 5.474 -5.945 -1.191) 8.168 13.778 ( -8.103 -2.905 8.788) 12.302 13.795 ( 1.242 0.057 -1.110) 1.667 13.917 ( 1.633 -7.111 -5.241) 8.984 13.970 ( -3.012 -7.256 -0.350) 7.864 14.052 ( 7.279 -7.170 8.060) 13.014 14.124 ( -3.035 4.318 6.776) 8.589 14.283 ( -0.920 4.390 -4.559) 6.396 14.473 ( -17.299 2.760 -0.296) 17.520 14.570 ( -16.744 0.402 1.458) 16.813 14.682 ( -6.739 2.039 4.493) 8.352 15.007 ( 0.399 -6.934 2.923) 7.536 15.090 ( -15.683 -13.846 -0.280) 20.923 15.168 ( 2.547 -6.545 0.286) 7.030 15.236 ( -8.984 -5.256 1.018) 10.458 15.256 ( -3.416 -1.392 0.852) 3.786 15.406 ( -2.238 -5.187 -4.969) 7.523 15.658 ( 7.968 16.732 -1.593) 18.601 15.806 ( -8.986 -3.334 -1.149) 9.653 15.832 ( 0.916 10.478 -4.881) 11.595 16.023 ( -3.892 7.927 -0.404) 8.840 16.284 ( -10.696 -4.759 -7.083) 13.683 16.320 ( -2.994 -0.998 11.702) 12.120 16.585 ( 1.016 -11.415 5.625) 12.767 16.672 ( -6.658 -1.603 -16.498) 17.863 16.720 ( -7.955 -4.036 0.180) 8.922 16.973 ( -12.669 -6.825 1.303) 14.449 17.193 ( -13.563 1.832 4.074) 14.279 17.296 ( -5.746 -2.165 -3.467) 7.052 17.556 ( 6.404 10.246 -3.169) 12.491 17.745 ( 5.863 -4.367 -0.930) 7.370 18.163 ( -4.325 1.793 8.285) 9.516 18.248 ( 2.830 -0.588 -1.848) 3.430 18.472 ( -0.636 12.692 3.431) 13.163 18.578 ( 3.180 0.637 0.832) 3.348 18.625 ( 3.454 0.587 -1.847) 3.961 18.832 ( 10.226 2.341 -3.030) 10.919 18.935 ( -2.120 -9.021 -1.129) 9.335 18.972 ( 4.774 -0.043 -0.855) 4.850 19.346 ( 3.473 2.161 5.946) 7.217 19.424 ( 5.858 1.753 -0.591) 6.143 19.465 ( -2.156 -3.202 -0.404) 3.881 19.542 ( 10.719 -6.791 -6.320) 14.176 19.639 ( -3.806 0.438 0.936) 3.944 19.893 ( -0.705 3.615 0.228) 3.690 20.024 ( -5.971 -2.270 3.878) 7.473 20.091 ( -4.543 0.303 -1.355) 4.750 20.254 ( 4.058 6.848 2.818) 8.445 20.389 ( 3.472 0.463 3.898) 5.240 20.838 ( -11.089 -3.343 -1.542) 11.685 21.299 ( -1.598 -2.436 -3.297) 4.400 21.613 ( 6.460 5.586 0.134) 8.541 21.660 ( -6.379 -5.563 -2.605) 8.856 23.109 ( 9.365 1.711 -1.606) 9.654 23.254 ( -2.530 0.474 -2.007) 3.264 23.285 ( 0.800 2.709 -1.872) 3.389 23.352 ( 3.174 2.495 2.620) 4.813 23.603 ( 7.513 -1.514 5.421) 9.388 23.675 ( -2.147 -3.573 1.736) 4.516 24.043 ( -1.691 -0.411 1.549) 2.330 24.240 ( -5.852 -0.810 -1.828) 6.184 24.330 ( 3.961 -3.159 -3.455) 6.132 24.402 ( -8.220 -1.612 0.971) 8.432 25.813 ( 7.998 8.491 -3.168) 12.087 26.115 ( -0.295 -1.996 1.266) 2.382 26.380 ( -2.737 -1.211 4.863) 5.711 26.602 ( -3.089 -2.069 -3.215) 4.915 ======================= Grid point 113 (52/95) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.499 ( -0.477 15.383 12.381) 19.752 5.224 ( 4.108 33.386 -8.864) 34.786 5.308 ( 11.102 27.652 -2.315) 29.887 5.822 ( -6.747 20.808 7.977) 23.284 6.032 ( 18.010 10.430 -5.948) 21.646 6.057 ( 25.158 28.991 3.995) 38.592 6.433 ( 12.039 0.237 -3.153) 12.447 6.654 ( 26.994 7.899 -6.446) 28.855 6.916 ( 6.511 -1.126 0.547) 6.630 7.051 ( 2.286 2.070 2.327) 3.863 7.135 ( 13.433 12.215 -6.826) 19.397 7.264 ( 15.266 1.788 2.383) 15.554 7.385 ( 3.319 17.309 -1.138) 17.661 7.666 ( -8.805 2.612 1.365) 9.285 7.774 ( -0.257 16.312 2.560) 16.514 7.874 ( 4.623 3.557 3.184) 6.645 8.129 ( -8.913 -3.880 6.990) 11.973 8.247 ( 1.741 1.357 -3.990) 4.560 8.336 ( 1.715 18.727 -1.747) 18.887 8.523 ( -1.849 15.742 -7.343) 17.469 8.546 ( 10.203 7.253 4.174) 13.196 8.744 ( 8.656 8.701 10.426) 16.104 8.855 ( -5.007 4.691 1.244) 6.973 9.047 ( -12.650 -2.662 3.866) 13.493 9.335 ( 3.321 -3.571 -5.241) 7.159 9.427 ( 8.593 10.172 -4.296) 13.991 9.555 ( 0.567 8.185 -0.229) 8.208 9.677 ( 3.556 2.092 -2.922) 5.055 9.783 ( -3.091 -10.985 0.680) 11.432 9.944 ( 3.218 6.572 4.677) 8.684 9.987 ( 13.308 5.379 -0.218) 14.356 10.158 ( 4.344 9.482 -7.682) 12.954 10.229 ( 7.681 2.473 1.099) 8.144 10.542 ( -0.465 -0.993 2.583) 2.807 10.687 ( -7.792 -2.197 -5.803) 9.961 10.773 ( -6.856 -1.179 -1.149) 7.051 10.980 ( -0.651 -0.878 3.129) 3.315 11.099 ( -1.017 1.187 13.482) 13.573 11.379 ( 1.943 5.184 -9.533) 11.024 11.476 ( 3.063 12.532 -6.139) 14.287 11.698 ( -3.144 13.629 -6.656) 15.491 11.738 ( -10.430 -1.597 4.030) 11.295 11.840 ( -14.587 3.016 -12.741) 19.602 12.136 ( -0.876 -6.017 0.011) 6.080 12.260 ( 6.903 2.672 9.511) 12.052 12.547 ( 0.564 -0.109 1.574) 1.676 12.608 ( 9.171 -14.973 -0.640) 17.570 12.696 ( -0.089 -0.084 -6.285) 6.287 12.859 ( -1.974 -0.940 5.718) 6.122 13.044 ( -1.541 -2.200 3.724) 4.591 13.168 ( -1.916 -5.947 -2.281) 6.652 13.178 ( 4.541 2.805 7.290) 9.036 13.353 ( 5.246 -4.117 7.819) 10.277 13.534 ( -7.699 6.542 -1.773) 10.258 13.746 ( -3.117 0.636 8.568) 9.139 13.790 ( -9.982 -0.685 0.692) 10.029 13.871 ( 0.229 10.831 8.101) 13.528 13.948 ( 0.371 -7.808 -3.110) 8.413 14.114 ( 0.062 -10.360 -7.545) 12.817 14.269 ( -3.821 -0.048 -8.210) 9.056 14.379 ( 4.804 -20.856 -4.599) 21.891 14.460 ( -0.952 -5.363 0.684) 5.489 14.500 ( 2.319 -3.416 1.992) 4.584 14.624 ( 4.068 -14.794 4.092) 15.879 14.965 ( -16.536 -6.532 -7.049) 19.126 15.065 ( -8.767 -9.264 4.511) 13.529 15.210 ( -1.847 2.586 -1.152) 3.380 15.230 ( 2.046 2.008 -5.104) 5.854 15.389 ( -6.753 -19.927 0.322) 21.042 15.466 ( -4.797 -7.663 -4.979) 10.321 15.549 ( 4.758 8.446 1.523) 9.813 15.643 ( -0.597 7.823 0.435) 7.858 15.888 ( 5.994 -8.626 1.643) 10.631 15.951 ( 2.249 5.785 1.539) 6.395 16.106 ( -8.085 -2.836 -7.683) 11.508 16.369 ( -3.112 -1.967 3.730) 5.241 16.553 ( 1.695 -1.994 -7.256) 7.714 16.767 ( -1.891 -9.981 8.770) 13.421 16.871 ( -0.567 -6.086 0.441) 6.128 16.960 ( -5.035 -13.207 -1.315) 14.195 17.040 ( -7.485 -5.955 4.792) 10.698 17.295 ( 2.116 -3.841 -1.270) 4.566 17.519 ( 10.041 9.290 0.150) 13.680 17.904 ( 4.946 -3.580 6.824) 9.156 17.998 ( -11.117 10.765 -0.238) 15.477 18.223 ( -0.827 6.240 3.121) 7.026 18.328 ( -0.790 2.671 5.645) 6.295 18.557 ( 1.400 5.111 -4.882) 7.205 18.690 ( 2.853 -1.554 -1.978) 3.804 18.782 ( -0.382 5.057 -6.522) 8.262 18.975 ( 0.288 4.491 0.951) 4.599 19.138 ( 7.316 -7.237 -1.698) 10.430 19.357 ( -1.153 3.380 3.904) 5.291 19.467 ( 4.048 2.338 1.592) 4.938 19.480 ( -1.696 -3.089 -4.322) 5.577 19.586 ( -2.885 -0.920 1.904) 3.577 19.723 ( -2.208 -2.443 -3.623) 4.896 19.755 ( 1.091 1.720 -9.999) 10.204 19.961 ( -0.932 0.874 -3.174) 3.422 20.096 ( -0.719 -3.629 5.934) 6.992 20.241 ( 0.072 3.464 7.321) 8.099 20.377 ( -0.530 4.833 1.915) 5.225 20.884 ( 2.264 -8.752 2.127) 9.287 21.296 ( -2.785 -3.634 -3.590) 5.818 21.584 ( 0.664 6.296 4.302) 7.654 21.669 ( -1.004 -5.741 -4.029) 7.085 23.133 ( 2.882 8.829 -0.105) 9.288 23.227 ( -0.432 -0.101 -1.257) 1.333 23.304 ( 8.035 -0.657 -0.198) 8.064 23.387 ( 2.614 0.106 -0.049) 2.617 23.571 ( -5.367 4.505 -0.931) 7.069 23.776 ( 4.313 -2.622 0.810) 5.112 24.121 ( -5.704 -9.399 3.020) 11.402 24.128 ( -0.291 2.816 1.796) 3.353 24.272 ( -8.363 0.159 -0.965) 8.420 24.451 ( 2.601 -5.563 -2.965) 6.819 25.811 ( 9.568 10.681 2.030) 14.483 26.081 ( -4.584 -1.130 -2.184) 5.202 26.393 ( -1.889 -1.613 3.679) 4.439 26.606 ( -0.753 -3.858 -2.618) 4.723 ======================= Grid point 114 (53/95) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.181 ( -1.888 31.945 7.704) 32.915 4.604 ( 4.163 48.615 -11.551) 50.141 5.057 ( 2.357 31.659 4.932) 32.128 5.518 ( -5.264 13.618 3.723) 15.067 5.727 ( 4.901 28.884 13.695) 32.340 6.210 ( 5.003 8.998 -3.638) 10.919 6.374 ( 0.661 10.856 -5.205) 12.058 6.696 ( -10.060 9.028 -11.798) 17.942 6.828 ( -3.573 7.096 3.269) 8.591 6.985 ( -11.883 12.577 -3.568) 17.667 7.064 ( 2.858 14.059 0.839) 14.371 7.273 ( -5.376 -0.818 -6.707) 8.635 7.415 ( 0.429 11.684 2.676) 11.995 7.479 ( 20.768 3.242 -1.363) 21.064 7.668 ( -8.547 5.983 1.497) 10.540 7.812 ( 2.480 6.997 -5.753) 9.391 7.979 ( -5.497 23.874 2.155) 24.593 8.100 ( 20.012 3.213 15.896) 25.758 8.154 ( -7.241 9.736 8.090) 14.583 8.404 ( -0.717 10.233 -4.821) 11.334 8.513 ( 1.832 9.528 3.458) 10.300 8.589 ( -2.042 13.132 5.682) 14.453 8.863 ( 2.656 -3.676 3.160) 5.527 9.030 ( -8.780 -12.404 -2.140) 15.347 9.314 ( 1.729 5.228 -4.175) 6.910 9.379 ( 5.442 8.088 -6.235) 11.572 9.430 ( -0.583 11.247 -4.395) 12.090 9.578 ( -8.104 12.302 -2.265) 14.905 9.708 ( -3.922 6.801 -3.623) 8.647 9.922 ( -7.129 0.805 7.126) 10.112 10.059 ( 12.415 1.917 -5.131) 13.570 10.105 ( 8.970 4.934 -10.499) 14.664 10.318 ( -5.692 3.507 5.214) 8.478 10.464 ( 0.199 3.335 0.971) 3.480 10.508 ( 8.829 10.906 -7.719) 16.015 10.788 ( -4.679 -1.182 8.113) 9.440 10.964 ( -2.483 10.663 -1.276) 11.023 11.004 ( -14.596 -7.529 -3.940) 16.889 11.139 ( 6.028 4.326 4.946) 8.917 11.355 ( -13.653 -0.037 -4.999) 14.540 11.578 ( 21.521 -4.893 -2.880) 22.258 11.784 ( 0.493 -1.901 -9.746) 9.942 11.840 ( 11.088 0.274 9.907) 14.872 12.097 ( -0.907 12.207 11.733) 16.956 12.238 ( -9.896 2.479 7.024) 12.386 12.545 ( 4.482 4.461 1.107) 6.420 12.669 ( -1.231 1.639 -6.981) 7.276 12.703 ( -1.741 4.705 -0.706) 5.066 12.860 ( -5.518 6.715 7.967) 11.790 13.035 ( -7.445 11.380 -1.360) 13.666 13.098 ( 2.909 1.604 -3.513) 4.835 13.266 ( -0.956 -6.958 0.083) 7.023 13.352 ( -1.333 -1.278 7.446) 7.671 13.531 ( 0.313 3.546 3.147) 4.751 13.699 ( 6.846 2.479 -0.522) 7.299 13.795 ( -5.348 0.927 -1.725) 5.695 13.977 ( 11.928 -11.544 6.496) 17.825 14.023 ( -3.184 -7.692 -0.522) 8.341 14.130 ( 0.871 2.732 0.228) 2.877 14.304 ( 7.971 -2.354 -6.286) 10.421 14.463 ( -2.281 -9.010 -3.696) 10.003 14.653 ( 11.374 0.652 -9.520) 14.847 14.708 ( -3.306 -10.531 2.101) 11.235 14.762 ( -5.517 -4.724 -3.855) 8.223 14.960 ( 0.038 1.331 -1.529) 2.028 15.045 ( 2.209 -5.313 1.116) 5.861 15.214 ( -4.097 -6.686 -1.456) 7.975 15.231 ( 1.051 -11.170 -7.345) 13.409 15.350 ( -3.265 -0.419 -0.737) 3.374 15.493 ( -10.784 -16.841 -9.792) 22.267 15.576 ( -6.536 -7.798 0.004) 10.175 15.702 ( 0.319 -14.803 3.593) 15.237 15.935 ( -1.600 -0.108 11.708) 11.817 16.135 ( -0.526 -12.450 4.825) 13.363 16.239 ( 5.889 -18.887 -2.389) 19.928 16.378 ( -4.748 -9.072 0.763) 10.267 16.667 ( 12.341 -2.214 -2.436) 12.772 16.740 ( -11.414 -4.447 -4.583) 13.079 16.980 ( 3.105 -3.190 9.359) 10.364 17.107 ( 3.908 -5.032 7.970) 10.204 17.138 ( 0.528 -7.157 -5.798) 9.226 17.447 ( 6.967 0.503 -6.769) 9.726 17.595 ( 8.621 3.346 4.052) 10.096 17.674 ( -5.989 -1.566 5.264) 8.126 18.057 ( -0.115 -5.344 5.062) 7.361 18.175 ( -1.158 2.684 8.554) 9.039 18.297 ( 0.071 5.049 5.478) 7.450 18.458 ( 0.216 5.633 -2.843) 6.314 18.635 ( -0.640 3.552 -9.666) 10.318 18.739 ( -1.314 2.708 -5.406) 6.187 18.912 ( -1.289 0.695 2.511) 2.907 19.184 ( -4.302 5.174 -3.012) 7.372 19.305 ( 4.371 3.106 -2.812) 6.054 19.399 ( -2.464 2.467 -9.463) 10.085 19.507 ( -0.456 0.447 2.259) 2.347 19.594 ( -3.577 -2.017 0.779) 4.179 19.616 ( -2.929 -2.860 -2.264) 4.678 19.781 ( 6.652 4.865 -5.151) 9.719 19.975 ( 0.624 1.238 6.241) 6.393 20.156 ( -2.320 -5.804 -0.532) 6.273 20.257 ( -0.675 -1.067 6.560) 6.681 20.326 ( -1.519 -0.916 0.381) 1.815 21.037 ( 3.224 -3.446 4.243) 6.346 21.293 ( 0.550 0.035 -5.275) 5.303 21.521 ( -6.722 -1.471 6.496) 9.463 21.777 ( 7.489 -6.047 -3.295) 10.174 23.020 ( -0.493 9.123 0.577) 9.154 23.178 ( -0.330 5.477 -5.728) 7.932 23.369 ( 2.138 3.386 2.353) 4.645 23.445 ( 1.097 -2.077 1.019) 2.560 23.507 ( 4.566 0.782 0.246) 4.639 23.773 ( -5.570 -3.218 -7.937) 10.217 23.998 ( -9.397 4.031 6.303) 12.011 24.184 ( 6.656 4.687 -1.343) 8.251 24.346 ( 2.274 -11.741 3.604) 12.490 24.502 ( -1.773 -2.766 -2.152) 3.927 25.728 ( -2.980 11.139 6.649) 13.310 26.078 ( 4.930 -1.033 -7.712) 9.211 26.407 ( -2.526 -2.541 6.679) 7.579 26.659 ( 0.706 -5.837 -3.749) 6.973 ======================= Grid point 115 (54/95) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( 3.692 36.987 -4.704) 37.467 3.961 ( 14.988 52.569 -13.218) 56.239 4.410 ( -14.082 50.340 10.801) 53.377 5.240 ( -8.567 18.382 -14.296) 24.812 5.576 ( -2.083 10.087 30.407) 32.104 5.942 ( -14.512 8.915 -2.727) 17.248 6.053 ( -26.073 -2.212 -8.691) 27.572 6.460 ( 9.254 27.098 14.287) 32.001 6.615 ( -3.134 12.667 4.159) 13.695 6.640 ( -16.970 -1.932 -5.419) 17.919 6.856 ( -15.701 5.639 0.973) 16.711 6.988 ( -24.342 1.246 -4.274) 24.746 7.190 ( -10.815 4.618 -3.797) 12.357 7.481 ( -6.827 11.317 5.790) 14.430 7.593 ( -0.238 18.089 5.217) 18.827 7.703 ( 4.393 10.776 -0.245) 11.640 7.789 ( 6.426 11.682 -2.266) 13.524 7.885 ( -9.957 3.462 7.437) 12.901 8.147 ( 6.816 18.487 -8.478) 21.450 8.331 ( -2.390 8.151 -1.835) 8.690 8.339 ( -13.001 7.661 0.280) 15.093 8.610 ( 13.742 -1.988 1.427) 13.958 8.910 ( -2.293 -7.753 -8.287) 11.578 9.052 ( -5.517 -5.572 0.313) 7.848 9.214 ( 5.389 3.422 2.273) 6.777 9.290 ( 4.704 3.699 -1.524) 6.175 9.329 ( 8.459 10.591 -7.921) 15.699 9.401 ( -1.344 6.846 -0.237) 6.981 9.585 ( 16.028 9.220 -4.119) 18.944 9.887 ( -4.754 -3.169 2.140) 6.101 10.027 ( -9.388 3.394 -0.957) 10.029 10.073 ( -3.742 2.230 -5.699) 7.174 10.218 ( 9.963 3.354 2.174) 10.735 10.386 ( 6.865 10.729 0.559) 12.749 10.699 ( 17.763 2.675 2.453) 18.130 10.841 ( 6.799 -0.267 1.095) 6.892 10.860 ( 3.735 1.974 1.701) 4.554 10.980 ( -2.202 -3.877 -3.429) 5.625 11.180 ( -6.353 -4.662 2.799) 8.362 11.385 ( 11.077 -3.617 4.898) 12.640 11.716 ( 0.287 4.926 -9.975) 11.129 11.911 ( 2.923 1.687 2.729) 4.340 11.967 ( 5.999 16.040 10.717) 20.202 12.002 ( 7.700 -0.022 -2.218) 8.013 12.062 ( -0.745 2.101 3.337) 4.013 12.490 ( -10.723 4.386 -1.134) 11.641 12.547 ( 7.162 6.138 -3.705) 10.134 12.673 ( -4.563 12.715 10.387) 17.040 12.717 ( 10.430 7.345 7.187) 14.642 12.746 ( -2.763 11.254 0.517) 11.599 13.022 ( 1.194 5.786 -4.472) 7.409 13.193 ( -5.378 14.631 5.203) 16.433 13.437 ( -2.044 2.910 -1.903) 4.033 13.505 ( 10.415 13.353 0.967) 16.962 13.666 ( 1.086 2.351 -9.777) 10.114 13.723 ( 8.804 -2.377 -2.922) 9.576 13.967 ( -7.531 5.577 -1.373) 9.471 14.106 ( -2.634 2.228 -4.290) 5.505 14.187 ( -0.430 -1.353 -4.108) 4.346 14.440 ( 1.531 -4.668 2.307) 5.427 14.500 ( -5.701 -13.380 -6.750) 16.034 14.631 ( -4.244 -3.746 1.925) 5.979 14.812 ( -4.554 -11.612 -5.047) 13.456 14.903 ( -4.569 -3.443 5.717) 8.088 14.932 ( 9.240 -1.345 -0.178) 9.339 15.148 ( 3.912 -6.579 4.720) 8.993 15.191 ( 1.027 1.152 -4.691) 4.938 15.374 ( 1.929 -9.107 -5.385) 10.755 15.384 ( -2.341 -4.160 -2.628) 5.448 15.595 ( -0.088 -18.097 -8.997) 20.210 15.732 ( -8.057 -19.634 5.146) 21.838 15.931 ( -3.765 -14.274 9.959) 17.808 16.116 ( 6.108 -10.761 11.507) 16.897 16.262 ( -11.653 -16.215 2.878) 20.174 16.458 ( 6.877 -12.609 -3.012) 14.675 16.474 ( -10.810 -0.022 -4.145) 11.578 16.660 ( -7.431 -13.971 4.299) 16.398 16.825 ( -5.694 5.384 5.147) 9.376 16.904 ( -1.930 -0.555 -5.283) 5.652 17.251 ( 6.821 -6.073 -0.757) 9.164 17.406 ( 5.714 -1.629 -12.437) 13.784 17.430 ( 15.402 -13.074 5.063) 20.828 17.727 ( 7.126 -0.461 4.164) 8.266 17.858 ( 6.270 -5.418 -0.782) 8.324 18.070 ( -2.226 2.271 1.264) 3.423 18.163 ( -2.341 -0.142 8.832) 9.138 18.278 ( 3.486 2.934 5.836) 7.404 18.469 ( -1.433 -0.742 2.911) 3.328 18.574 ( -0.637 -2.681 -2.766) 3.904 18.587 ( -0.635 2.286 -8.832) 9.145 18.942 ( -0.646 -0.640 2.038) 2.232 19.033 ( -1.117 2.762 -6.411) 7.070 19.240 ( -3.682 2.807 -2.417) 5.223 19.367 ( 4.755 5.283 -2.114) 7.416 19.387 ( -7.710 2.902 -3.398) 8.911 19.578 ( -1.872 0.852 -0.977) 2.277 19.654 ( 2.546 -1.739 -1.465) 3.413 19.779 ( 5.202 2.326 -3.137) 6.504 20.021 ( 1.994 0.034 8.559) 8.788 20.163 ( -1.849 0.350 -3.834) 4.271 20.240 ( -6.280 -1.599 5.919) 8.776 20.369 ( -4.786 -7.254 1.269) 8.783 21.094 ( 0.814 4.400 2.325) 5.043 21.246 ( 1.875 4.072 5.515) 7.107 21.523 ( -7.411 -10.543 -3.630) 13.389 22.017 ( 13.682 -8.233 -1.973) 16.089 22.853 ( -4.998 8.983 -0.810) 10.311 23.087 ( 4.467 5.484 -5.071) 8.703 23.371 ( -1.088 1.892 0.764) 2.312 23.413 ( -0.387 3.471 1.121) 3.668 23.543 ( -4.975 -2.145 3.270) 6.328 23.778 ( 6.094 -1.703 -5.831) 8.604 23.836 ( -5.156 6.298 1.862) 8.349 24.146 ( -0.094 7.424 -4.668) 8.770 24.477 ( -1.026 -1.943 -0.101) 2.199 24.596 ( 7.498 -7.189 5.188) 11.611 25.518 ( -11.415 7.358 7.600) 15.563 26.112 ( 7.691 5.071 -8.184) 12.322 26.469 ( -2.288 -6.437 5.870) 9.007 26.765 ( 2.094 -8.682 -2.559) 9.290 ======================= Grid point 116 (55/95) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 17.157 34.678 -14.316) 41.253 3.462 ( 11.242 46.395 8.227) 48.441 3.632 ( 7.156 42.664 1.005) 43.272 4.552 ( -13.415 34.156 -27.799) 46.037 5.528 ( -20.508 -12.098 -2.616) 23.954 5.640 ( -29.924 -7.769 -1.156) 30.937 5.958 ( 5.881 -2.298 29.476) 30.144 6.303 ( -9.343 9.221 12.928) 18.424 6.331 ( -5.299 10.751 7.896) 14.353 6.540 ( -19.028 1.056 3.353) 19.350 6.558 ( 2.222 8.226 0.179) 8.523 6.719 ( -21.790 -14.678 -0.990) 26.292 6.983 ( -20.239 -9.137 -5.261) 22.820 7.221 ( 6.766 25.586 13.572) 29.743 7.384 ( -12.331 8.892 6.783) 16.647 7.452 ( -7.897 7.013 -0.803) 10.592 7.563 ( 2.818 11.209 -1.288) 11.630 7.835 ( -9.556 11.056 -8.381) 16.847 7.982 ( -3.869 9.339 -7.604) 12.650 8.039 ( 9.672 8.949 -6.227) 14.574 8.269 ( 7.243 -1.396 -1.232) 7.479 8.683 ( -2.004 -0.796 -10.067) 10.295 8.968 ( -4.040 -2.679 0.014) 4.847 9.089 ( -8.334 7.777 -10.335) 15.386 9.149 ( 8.474 -6.097 -6.135) 12.108 9.314 ( 3.082 1.094 -2.299) 3.998 9.395 ( 12.344 -7.870 3.128) 14.970 9.629 ( 15.991 -7.991 12.590) 21.865 9.722 ( 11.677 9.940 2.508) 15.538 9.861 ( -5.110 -5.184 1.628) 7.459 9.900 ( 6.919 7.717 -2.649) 10.698 10.025 ( 4.418 8.594 -0.502) 9.676 10.289 ( 2.484 9.259 2.198) 9.835 10.360 ( 7.922 -0.220 2.908) 8.442 10.757 ( 2.629 8.096 0.253) 8.517 10.872 ( 6.262 1.470 -4.850) 8.056 11.037 ( 11.364 -0.255 -0.627) 11.384 11.092 ( 12.486 -2.465 9.334) 15.783 11.241 ( 3.912 -5.451 -7.360) 9.959 11.461 ( 3.600 10.624 0.812) 11.247 11.597 ( 2.286 8.985 -8.898) 12.850 11.759 ( -2.719 15.962 3.765) 16.624 11.893 ( 1.191 7.592 2.805) 8.181 11.995 ( 10.131 -0.898 2.103) 10.386 12.258 ( -1.965 -5.208 1.263) 5.707 12.305 ( 7.040 7.668 -3.027) 10.841 12.475 ( -1.638 10.469 4.170) 11.387 12.554 ( 7.365 10.104 3.344) 12.942 12.640 ( 3.872 9.038 5.902) 11.468 12.781 ( 9.117 10.683 0.074) 14.044 12.813 ( -2.613 18.743 4.379) 19.424 13.076 ( 9.127 8.951 1.909) 12.925 13.341 ( 7.632 9.660 1.561) 12.410 13.375 ( 8.504 12.945 -10.005) 18.439 13.529 ( -1.563 16.015 -8.513) 18.204 13.786 ( 0.048 0.874 -2.730) 2.867 13.929 ( 2.880 2.867 -4.779) 6.273 14.058 ( 0.493 -7.480 -0.876) 7.547 14.206 ( -3.325 -4.541 5.679) 7.996 14.375 ( -10.030 -2.956 -1.992) 10.644 14.591 ( -5.312 -8.792 -4.825) 11.350 14.649 ( -7.539 -7.825 -2.483) 11.146 14.799 ( -13.216 -12.461 -12.264) 21.917 14.904 ( -3.959 -5.004 9.853) 11.739 15.018 ( 0.927 0.355 0.136) 1.002 15.243 ( -0.767 -9.179 1.223) 9.292 15.371 ( -0.446 -1.617 -0.647) 1.798 15.469 ( 9.691 -14.829 10.382) 20.533 15.502 ( -0.924 -7.960 -4.331) 9.109 15.742 ( -2.791 -5.366 -2.866) 6.693 15.851 ( -6.246 -5.730 3.882) 9.323 16.026 ( -11.721 -8.207 9.821) 17.354 16.250 ( -6.305 -0.921 -2.160) 6.728 16.332 ( -7.970 -14.730 8.669) 18.858 16.416 ( 0.737 -3.524 2.277) 4.260 16.552 ( -10.399 -7.282 -1.041) 12.738 16.769 ( -3.875 -5.654 1.242) 6.966 16.826 ( 4.768 -20.467 0.652) 21.025 16.993 ( -2.778 -11.099 -0.250) 11.444 17.312 ( 4.223 0.868 -15.240) 15.838 17.502 ( 5.982 -3.213 -6.877) 9.664 17.736 ( 0.710 -0.206 5.048) 5.102 17.846 ( 7.203 -2.459 8.654) 11.525 17.916 ( 0.520 0.399 -12.020) 12.038 17.993 ( 0.230 0.627 -3.412) 3.476 18.202 ( -1.095 -1.591 2.945) 3.522 18.324 ( 4.694 7.782 -2.695) 9.479 18.449 ( 1.587 -5.550 11.215) 12.614 18.542 ( 0.457 -0.513 -0.577) 0.898 18.743 ( 2.175 -8.598 2.186) 9.134 18.948 ( -3.207 -1.568 -2.250) 4.220 19.034 ( 5.500 0.665 0.640) 5.577 19.114 ( -0.029 7.264 4.047) 8.316 19.255 ( -4.803 -3.868 -6.942) 9.286 19.367 ( 3.334 3.851 -3.290) 6.064 19.555 ( 0.833 -0.533 -0.307) 1.035 19.676 ( 1.612 1.159 -2.982) 3.582 19.838 ( 2.272 -2.351 -0.916) 3.395 20.005 ( -5.613 4.215 3.544) 7.863 20.080 ( -3.464 3.323 -1.845) 5.142 20.233 ( -3.070 -3.795 5.932) 7.682 20.380 ( -7.098 -6.579 0.512) 9.691 20.957 ( -4.303 8.348 4.703) 10.503 21.328 ( 4.198 0.800 11.263) 12.046 21.543 ( -3.540 -8.425 -11.512) 14.698 22.335 ( 14.405 -7.682 -2.077) 16.457 22.673 ( -3.889 4.687 -2.225) 6.484 23.111 ( 7.302 1.672 -1.834) 7.712 23.268 ( -4.067 2.728 -2.148) 5.348 23.372 ( -0.499 8.133 5.024) 9.572 23.503 ( -6.245 -2.351 4.310) 7.943 23.688 ( -2.982 2.761 -6.619) 7.767 23.876 ( 9.691 6.585 0.834) 11.746 23.956 ( -5.006 6.023 -8.135) 11.292 24.512 ( 3.733 0.610 1.531) 4.080 24.799 ( 6.226 -3.309 5.451) 8.912 25.311 ( -12.332 1.502 6.896) 14.209 26.086 ( 6.764 7.980 -5.100) 11.638 26.540 ( -2.446 -5.724 0.324) 6.233 26.920 ( -0.036 -10.617 -0.009) 10.617 ======================= Grid point 121 (56/95) ======================= q-point: ( 0.44 0.44 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.670 ( 5.815 -0.000 10.567) 12.062 5.749 ( 29.358 -0.000 3.603) 29.578 5.901 ( 21.290 -0.000 4.285) 21.717 6.073 ( 10.701 -0.000 -14.624) 18.121 6.138 ( 3.443 -0.000 -6.708) 7.540 6.288 ( -13.526 0.000 -13.241) 18.929 6.713 ( 2.235 -0.000 6.054) 6.454 6.793 ( 13.243 -0.000 -2.593) 13.494 6.886 ( 23.353 -0.000 -10.238) 25.499 7.103 ( -2.745 0.000 10.931) 11.270 7.236 ( 15.169 -0.000 9.609) 17.956 7.437 ( -0.473 0.000 4.783) 4.806 7.622 ( 0.348 -0.000 14.156) 14.160 7.654 ( -2.241 0.000 -5.025) 5.502 7.797 ( 8.949 -0.000 -9.458) 13.021 7.959 ( -8.579 0.000 7.847) 11.626 8.135 ( 11.645 -0.000 3.000) 12.025 8.217 ( 4.888 -0.000 2.319) 5.410 8.627 ( -3.482 0.000 -0.256) 3.492 8.662 ( 10.084 -0.000 0.651) 10.105 8.827 ( 15.563 -0.000 7.032) 17.078 8.866 ( -11.950 0.000 -12.923) 17.602 8.892 ( -27.737 0.000 3.907) 28.011 9.235 ( 18.077 -0.000 0.329) 18.080 9.283 ( 24.672 -0.000 -8.255) 26.017 9.363 ( -9.503 0.000 -0.109) 9.503 9.553 ( 21.700 -0.000 -2.129) 21.804 9.679 ( -6.884 0.000 -7.238) 9.989 9.778 ( 5.856 -0.000 -10.302) 11.850 9.942 ( 1.674 -0.000 -1.026) 1.963 10.143 ( -4.266 0.000 4.511) 6.209 10.330 ( -2.578 0.000 7.669) 8.091 10.402 ( -0.585 0.000 -2.967) 3.024 10.404 ( -4.846 0.000 -3.185) 5.798 10.735 ( 12.090 -0.000 11.962) 17.008 10.791 ( 9.542 -0.000 -0.710) 9.568 11.063 ( 5.705 -0.000 -1.942) 6.027 11.117 ( 12.029 -0.000 10.513) 15.976 11.444 ( -5.854 0.000 -1.936) 6.166 11.670 ( 14.861 -0.000 18.103) 23.422 11.672 ( 9.747 -0.000 -6.328) 11.621 11.824 ( 9.454 -0.000 0.005) 9.454 11.962 ( -8.179 0.000 -13.492) 15.778 12.232 ( 2.815 -0.000 -7.404) 7.921 12.245 ( 1.735 -0.000 -8.548) 8.723 12.323 ( -12.580 0.000 0.682) 12.599 12.428 ( -7.903 0.000 -4.961) 9.331 12.487 ( -10.875 0.000 -11.604) 15.904 12.741 ( 0.774 -0.000 5.106) 5.164 13.024 ( -9.719 0.000 0.098) 9.719 13.056 ( 5.344 -0.000 2.978) 6.118 13.373 ( -2.436 0.000 0.539) 2.495 13.389 ( 10.004 -0.000 3.837) 10.715 13.553 ( -1.482 0.000 8.338) 8.469 13.754 ( -13.754 0.000 14.343) 19.873 13.781 ( 4.895 -0.000 -5.351) 7.252 13.788 ( -10.237 0.000 3.406) 10.789 13.841 ( 5.836 -0.000 -7.173) 9.247 14.105 ( -13.033 0.000 1.117) 13.081 14.161 ( 5.926 -0.000 5.629) 8.173 14.228 ( -3.147 0.000 2.886) 4.270 14.297 ( -2.110 0.000 1.080) 2.370 14.420 ( -20.305 0.000 -5.372) 21.004 14.426 ( -11.240 0.000 9.363) 14.628 14.805 ( -10.748 0.000 0.414) 10.756 14.879 ( -3.738 0.000 4.812) 6.093 15.064 ( 1.834 -0.000 -3.965) 4.369 15.164 ( -5.084 0.000 -0.548) 5.114 15.238 ( -5.388 0.000 -13.550) 14.581 15.331 ( 5.633 -0.000 -0.271) 5.640 15.731 ( 0.843 -0.000 -0.042) 0.844 15.877 ( -4.405 0.000 -13.230) 13.944 15.998 ( 3.015 -0.000 0.062) 3.016 16.180 ( 19.073 -0.000 5.573) 19.871 16.193 ( -5.121 0.000 -3.415) 6.156 16.262 ( 2.538 -0.000 -0.792) 2.658 16.451 ( -4.726 0.000 -8.785) 9.975 16.491 ( -10.556 0.000 12.069) 16.034 16.578 ( 1.047 -0.000 1.607) 1.918 16.735 ( -12.487 0.000 0.392) 12.493 17.037 ( -9.822 0.000 4.140) 10.658 17.241 ( -2.051 0.000 0.279) 2.070 17.773 ( 8.234 -0.000 -2.068) 8.490 17.836 ( 11.281 -0.000 3.184) 11.722 18.183 ( -3.064 0.000 7.198) 7.823 18.217 ( 0.117 -0.000 -0.368) 0.386 18.550 ( -10.572 0.000 -0.251) 10.575 18.627 ( -0.773 0.000 4.081) 4.154 18.689 ( 7.036 -0.000 -7.214) 10.077 18.804 ( 0.850 -0.000 3.110) 3.224 18.978 ( 7.494 -0.000 -3.213) 8.154 19.040 ( 7.216 -0.000 -4.669) 8.594 19.385 ( -1.344 0.000 5.059) 5.234 19.413 ( -1.645 0.000 -0.450) 1.705 19.517 ( 5.470 -0.000 -8.351) 9.983 19.591 ( -3.500 0.000 2.194) 4.131 19.612 ( 6.863 -0.000 2.047) 7.162 19.827 ( -6.908 0.000 -17.060) 18.405 19.913 ( -9.360 0.000 10.572) 14.120 20.054 ( 0.150 -0.000 -0.434) 0.459 20.430 ( 6.594 -0.000 -1.683) 6.805 20.442 ( 1.647 -0.000 4.503) 4.795 20.676 ( -6.671 0.000 9.999) 12.020 21.241 ( -1.225 0.000 -5.228) 5.369 21.551 ( -3.189 0.000 1.445) 3.501 21.727 ( 4.589 -0.000 -3.492) 5.766 23.222 ( -0.736 0.000 0.328) 0.806 23.246 ( 9.597 -0.000 -1.062) 9.656 23.283 ( 0.811 -0.000 -1.934) 2.098 23.471 ( 1.443 -0.000 0.646) 1.581 23.586 ( -1.022 0.000 5.731) 5.822 23.737 ( 4.333 -0.000 2.050) 4.793 23.938 ( -12.355 0.000 3.823) 12.933 24.184 ( 1.333 -0.000 -3.137) 3.408 24.225 ( -2.573 0.000 -7.600) 8.024 24.402 ( -0.671 0.000 1.755) 1.879 25.956 ( 6.658 -0.000 -1.878) 6.917 26.116 ( -0.706 0.000 0.831) 1.090 26.344 ( -3.289 0.000 4.852) 5.861 26.547 ( -0.731 0.000 -3.078) 3.163 ======================= Grid point 122 (57/95) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.736 ( 0.835 7.623 18.162) 19.714 5.727 ( 5.152 29.749 -9.224) 31.569 5.820 ( -5.841 19.359 -3.575) 20.535 5.868 ( -6.677 16.110 -3.572) 17.801 6.196 ( 5.534 -4.283 -5.869) 9.133 6.410 ( 4.847 -10.343 -10.492) 15.510 6.654 ( -0.041 8.721 7.117) 11.257 6.829 ( -8.374 6.764 3.053) 11.189 6.979 ( -6.958 18.636 -1.091) 19.923 7.118 ( 5.285 -3.949 6.458) 9.232 7.261 ( 1.860 1.086 -3.409) 4.032 7.456 ( 13.495 12.998 -5.296) 19.471 7.640 ( -3.844 5.107 5.520) 8.445 7.755 ( 3.813 -13.702 3.139) 14.565 7.857 ( 9.360 9.752 -5.165) 14.470 7.980 ( -15.154 13.911 -1.589) 20.632 8.003 ( 0.008 -7.446 16.681) 18.267 8.271 ( -3.306 2.056 6.497) 7.574 8.483 ( -4.106 7.531 0.103) 8.578 8.592 ( -7.917 0.889 1.363) 8.083 8.738 ( 0.557 -4.152 -1.682) 4.514 8.822 ( 5.297 -0.554 -5.910) 7.956 8.865 ( 1.912 15.412 -9.814) 18.372 9.141 ( -3.553 4.723 7.573) 9.606 9.432 ( -11.452 2.775 -7.681) 14.066 9.463 ( 12.912 7.016 1.396) 14.761 9.656 ( 5.226 3.029 0.053) 6.040 9.707 ( 0.714 1.992 -6.654) 6.983 9.764 ( 6.593 3.015 -0.536) 7.269 9.981 ( 4.529 -5.551 -2.900) 7.729 10.064 ( -7.301 8.791 6.711) 13.253 10.286 ( 4.001 -6.979 2.381) 8.389 10.453 ( -8.927 -8.136 -3.186) 12.491 10.479 ( 1.027 -1.843 2.633) 3.374 10.624 ( 4.449 12.732 -0.754) 13.508 10.814 ( -2.466 10.085 -2.538) 10.688 10.975 ( -3.415 6.270 5.879) 9.248 11.276 ( 2.167 6.303 13.956) 15.465 11.516 ( -12.456 11.954 -0.519) 17.272 11.570 ( -1.259 -2.303 -1.175) 2.875 11.645 ( 10.068 12.520 -10.279) 19.073 11.771 ( -5.508 8.452 -6.087) 11.783 11.973 ( 1.847 -0.570 -0.725) 2.064 11.994 ( 10.258 7.843 -5.776) 14.146 12.308 ( -8.999 -4.952 -4.239) 11.112 12.415 ( 5.381 -11.426 -1.210) 12.688 12.491 ( 0.329 -14.478 -9.989) 17.592 12.594 ( 2.089 -12.996 -2.617) 13.420 12.714 ( 3.446 -5.708 6.462) 9.285 12.870 ( -5.355 0.855 6.431) 8.412 13.201 ( -0.238 -3.690 0.733) 3.770 13.410 ( -2.772 1.107 8.323) 8.841 13.465 ( 4.878 4.367 2.651) 7.063 13.590 ( -0.852 2.877 3.234) 4.412 13.631 ( 5.130 4.793 1.980) 7.294 13.719 ( -4.742 -3.720 10.398) 12.019 13.800 ( -4.617 -10.827 -0.982) 11.811 13.948 ( 8.038 -2.228 -2.448) 8.693 14.091 ( 4.082 3.645 5.239) 7.576 14.154 ( -3.654 -11.272 -1.833) 11.990 14.261 ( 6.194 -4.054 -2.781) 7.909 14.342 ( -4.708 -7.177 0.573) 8.603 14.367 ( -2.285 -16.063 -3.399) 16.577 14.472 ( 2.241 -6.592 6.257) 9.361 14.649 ( -2.960 2.581 2.967) 4.922 14.986 ( 0.048 -9.743 6.393) 11.654 15.082 ( -3.599 -0.511 -8.423) 9.174 15.124 ( 0.441 -6.547 -4.519) 7.967 15.190 ( -2.791 -6.113 -4.730) 8.217 15.378 ( 1.802 -0.593 -4.028) 4.452 15.624 ( -7.478 10.032 -12.472) 17.667 15.820 ( 7.221 -3.569 0.213) 8.058 15.856 ( -2.710 13.134 -6.572) 14.934 16.010 ( -6.595 2.224 -3.386) 7.739 16.149 ( -2.084 10.459 5.552) 12.023 16.370 ( -1.386 1.793 -2.941) 3.713 16.487 ( -2.023 -12.155 0.760) 12.346 16.605 ( 2.085 -2.682 -0.199) 3.403 16.690 ( 1.292 -10.595 7.346) 12.957 16.804 ( 12.005 -12.859 3.464) 17.929 17.013 ( 1.578 -1.042 7.786) 8.013 17.250 ( 1.637 -5.076 -0.349) 5.345 17.813 ( 7.459 7.739 0.701) 10.771 17.987 ( -5.872 9.119 -1.930) 11.016 18.012 ( -0.981 3.871 9.999) 10.767 18.232 ( -2.330 -3.298 -0.467) 4.065 18.433 ( 3.226 8.092 5.630) 10.373 18.623 ( -3.072 1.466 1.290) 3.641 18.698 ( 0.919 0.271 -0.321) 1.011 18.773 ( -0.479 1.123 -8.506) 8.593 19.041 ( 0.383 4.173 -3.482) 5.449 19.156 ( 8.049 -5.395 -0.245) 9.693 19.346 ( -5.030 1.627 -0.011) 5.287 19.406 ( -1.095 -1.494 -4.675) 5.028 19.499 ( -3.184 2.019 -7.379) 8.287 19.560 ( -0.014 1.456 0.513) 1.544 19.615 ( -4.619 -1.639 -4.292) 6.515 19.795 ( 5.711 -4.193 1.852) 7.324 19.861 ( -5.857 -4.533 3.524) 8.202 20.075 ( 1.292 -0.833 -1.112) 1.898 20.375 ( -5.651 2.374 -0.222) 6.133 20.387 ( -0.429 9.452 5.008) 10.706 20.842 ( 6.276 -9.340 9.041) 14.435 21.215 ( 0.038 -1.318 -6.115) 6.255 21.556 ( -0.950 -0.868 2.974) 3.240 21.734 ( 3.573 2.411 -3.594) 5.612 23.229 ( 1.027 0.427 0.832) 1.389 23.264 ( 0.482 4.932 -1.587) 5.203 23.349 ( 2.956 -1.354 1.717) 3.677 23.470 ( 4.210 2.331 0.043) 4.812 23.577 ( -1.538 3.695 1.314) 4.213 23.707 ( -8.527 -1.630 -3.593) 9.396 23.903 ( -4.144 -10.975 5.843) 13.105 24.160 ( -2.243 1.797 -0.808) 2.985 24.256 ( 8.125 1.067 -0.479) 8.208 24.401 ( -1.301 -3.772 -3.635) 5.398 26.018 ( -6.404 6.313 0.395) 9.001 26.041 ( 7.424 0.922 -0.094) 7.481 26.354 ( -1.736 -2.410 3.931) 4.927 26.549 ( 0.863 -2.023 -3.128) 3.824 ======================= Grid point 123 (58/95) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.598 ( -1.982 21.936 14.428) 26.330 5.274 ( 2.117 37.293 -4.198) 37.588 5.360 ( -19.213 6.480 -9.183) 22.258 5.618 ( 5.320 26.021 0.069) 26.559 6.114 ( -8.314 7.850 0.596) 11.450 6.222 ( -16.839 29.100 7.129) 34.368 6.354 ( -21.576 7.581 -4.309) 23.271 6.504 ( -28.201 1.459 2.952) 28.393 6.741 ( -1.926 -1.563 -3.158) 4.016 6.946 ( -16.305 23.420 -11.646) 30.821 7.104 ( -17.723 6.431 -1.093) 18.885 7.355 ( -2.818 12.619 4.846) 13.808 7.561 ( -2.104 3.534 8.084) 9.070 7.686 ( -4.483 17.613 -4.877) 18.817 7.777 ( 12.464 2.473 -5.479) 13.838 7.919 ( 2.405 2.057 3.771) 4.923 8.122 ( -5.085 7.874 4.988) 10.618 8.279 ( -4.204 8.178 0.058) 9.196 8.355 ( 6.406 -5.579 2.315) 8.805 8.455 ( 1.064 0.066 10.209) 10.264 8.658 ( -0.756 11.496 -8.984) 14.610 8.747 ( -10.609 6.562 -11.817) 17.183 8.888 ( 4.484 -7.113 9.251) 12.501 9.008 ( 7.985 19.855 10.547) 23.858 9.328 ( -2.719 5.514 -1.194) 6.263 9.422 ( 1.750 2.040 2.161) 3.449 9.533 ( -6.811 2.997 -1.319) 7.557 9.568 ( -16.985 0.942 -5.093) 17.757 9.694 ( -0.470 6.011 -5.964) 8.481 9.842 ( -8.643 6.867 2.895) 11.412 10.032 ( -4.423 -0.431 -3.215) 5.485 10.334 ( -8.720 8.481 3.376) 12.624 10.404 ( 5.658 -3.304 -14.974) 16.344 10.528 ( -3.749 1.109 1.259) 4.107 10.616 ( 16.541 -6.297 4.856) 18.353 10.750 ( 2.044 3.523 10.082) 10.874 10.930 ( -4.708 14.117 2.339) 15.064 11.056 ( -4.028 0.612 -7.777) 8.779 11.182 ( -3.087 6.822 4.390) 8.680 11.445 ( 12.714 3.935 -7.094) 15.082 11.781 ( 9.662 4.656 -8.321) 13.574 11.808 ( 13.488 4.610 -3.444) 14.664 11.993 ( -12.102 -13.001 -1.377) 17.815 12.089 ( 9.042 1.905 0.732) 9.269 12.213 ( -1.643 -0.089 4.145) 4.460 12.492 ( -3.825 -1.650 -2.243) 4.732 12.607 ( -2.663 -3.669 -3.390) 5.661 12.685 ( 1.624 -6.209 0.731) 6.459 12.843 ( 0.147 -1.352 9.075) 9.177 13.075 ( -7.403 8.158 1.800) 11.162 13.183 ( 14.347 -16.834 6.871) 23.161 13.344 ( -8.046 -3.097 5.562) 10.260 13.447 ( 9.860 16.750 6.568) 20.517 13.488 ( -0.334 3.700 -6.583) 7.559 13.652 ( -2.098 -2.431 -4.430) 5.472 13.765 ( -7.274 -13.402 7.212) 16.868 13.960 ( -0.766 5.679 -0.361) 5.742 14.052 ( 4.905 1.206 -1.021) 5.153 14.148 ( 6.440 -8.104 7.676) 12.886 14.313 ( -2.619 -13.454 -5.910) 14.926 14.320 ( -1.981 -3.164 1.864) 4.173 14.398 ( -0.617 1.188 -6.055) 6.201 14.630 ( 4.438 -9.282 3.119) 10.751 14.746 ( 6.336 -20.071 -9.291) 23.007 14.825 ( 14.918 -10.937 6.170) 19.499 14.999 ( -1.883 -1.236 -7.961) 8.273 15.045 ( -5.454 0.585 -0.943) 5.566 15.156 ( 0.704 -2.718 1.326) 3.105 15.266 ( 5.943 -3.548 0.575) 6.945 15.415 ( 4.039 -3.329 -3.705) 6.413 15.520 ( -1.005 3.579 -4.256) 5.651 15.571 ( -1.839 0.089 -0.608) 1.939 15.904 ( -4.756 0.228 0.241) 4.768 16.010 ( 0.147 -0.195 3.948) 3.956 16.100 ( 1.720 -12.055 5.667) 13.432 16.326 ( 3.879 -1.398 -6.832) 7.980 16.500 ( -8.601 -4.693 -3.469) 10.394 16.806 ( 13.965 -3.402 0.115) 14.374 16.937 ( 2.504 -11.169 3.009) 11.835 17.088 ( 2.090 -6.791 5.430) 8.943 17.107 ( 9.807 -5.092 1.291) 11.125 17.473 ( 2.511 -1.887 -4.854) 5.782 17.570 ( -8.460 2.501 2.525) 9.176 17.804 ( 4.344 4.852 -0.343) 6.521 18.062 ( 0.256 1.872 9.427) 9.614 18.288 ( 3.831 2.047 5.144) 6.732 18.347 ( -4.148 5.297 1.071) 6.813 18.491 ( -5.149 3.169 -0.635) 6.079 18.686 ( 3.824 6.487 -9.944) 12.473 18.810 ( 7.396 2.420 4.924) 9.209 18.929 ( -4.266 4.028 0.377) 5.879 19.144 ( -7.458 5.043 -4.557) 10.090 19.255 ( -7.293 0.860 -12.241) 14.274 19.345 ( -0.616 -5.530 1.738) 5.829 19.490 ( -2.415 -2.709 2.072) 4.180 19.553 ( 1.438 2.325 -1.889) 3.322 19.600 ( 3.260 -1.644 0.281) 3.662 19.914 ( 1.147 -5.441 -6.000) 8.181 19.974 ( 4.577 -5.697 10.287) 12.618 20.022 ( -4.765 3.995 -3.406) 7.090 20.266 ( -4.722 3.137 0.605) 5.701 20.303 ( -2.709 1.777 5.823) 6.663 21.062 ( 5.823 -5.179 5.217) 9.378 21.245 ( 2.966 -3.629 -6.253) 7.815 21.479 ( -6.060 5.796 0.893) 8.433 21.824 ( 8.313 -5.064 -0.837) 9.770 23.136 ( -3.145 9.736 0.637) 10.251 23.223 ( 0.675 3.019 -2.502) 3.979 23.385 ( -2.721 -0.890 -0.824) 2.979 23.437 ( -0.015 -0.552 2.209) 2.277 23.524 ( -5.354 1.871 -2.134) 6.060 23.682 ( 2.327 -3.971 0.331) 4.614 23.984 ( 1.486 3.382 1.225) 3.892 24.175 ( -3.670 -8.537 5.042) 10.573 24.355 ( 8.631 -1.869 -2.495) 9.177 24.435 ( 0.156 -3.340 -2.293) 4.054 25.776 ( -10.735 10.176 1.549) 14.873 26.158 ( 8.374 -1.313 -2.698) 8.895 26.371 ( -2.167 -1.566 4.888) 5.571 26.597 ( 2.268 -3.385 -2.877) 4.988 ======================= Grid point 124 (59/95) ======================= q-point: (-0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.242 ( 1.353 30.869 3.556) 31.102 4.782 ( 6.329 37.313 -5.082) 38.186 4.921 ( -10.843 30.824 -4.410) 32.972 5.195 ( -10.516 20.422 -3.477) 23.232 5.470 ( -37.404 16.247 -2.510) 40.857 5.765 ( -24.076 18.476 -3.725) 30.576 6.041 ( -9.608 1.558 17.540) 20.059 6.181 ( -22.930 -8.199 3.331) 24.579 6.442 ( -16.134 5.871 -4.692) 17.798 6.626 ( -11.592 9.884 0.372) 15.238 6.661 ( -23.316 7.633 6.527) 25.387 7.034 ( -10.681 16.497 9.258) 21.725 7.089 ( -21.555 22.208 -14.381) 34.126 7.555 ( -3.688 9.156 6.968) 12.082 7.720 ( -13.052 13.084 -3.208) 18.758 7.845 ( -9.421 6.065 -3.888) 11.860 7.992 ( 9.252 2.397 5.454) 11.004 8.149 ( -3.880 14.340 -2.001) 14.989 8.190 ( -10.565 3.733 -3.269) 11.673 8.516 ( 10.791 12.183 3.259) 16.598 8.570 ( -1.279 3.449 -14.381) 14.844 8.623 ( 4.768 16.327 7.984) 18.790 8.882 ( 6.989 -1.983 4.594) 8.595 8.982 ( -0.856 2.756 5.821) 6.497 9.231 ( -9.621 -2.417 -3.597) 10.552 9.331 ( -3.709 6.651 -4.811) 9.008 9.369 ( -6.300 -10.373 1.897) 12.284 9.497 ( 6.796 5.050 0.746) 8.500 9.702 ( 2.281 0.125 0.495) 2.338 9.810 ( 6.949 -0.226 0.249) 6.957 9.981 ( -0.952 -1.093 -1.576) 2.141 10.149 ( -0.084 -0.886 5.352) 5.425 10.439 ( 9.257 8.321 -2.150) 12.631 10.489 ( -2.124 -3.424 -6.068) 7.284 10.806 ( 2.204 -8.750 -4.129) 9.923 10.861 ( 2.491 3.880 -5.834) 7.436 10.971 ( 2.020 -1.793 4.699) 5.420 10.992 ( 7.175 0.126 4.610) 8.529 11.122 ( 13.119 -0.994 2.246) 13.347 11.622 ( 1.245 3.741 -0.224) 3.949 11.718 ( -0.059 4.489 -9.286) 10.315 11.880 ( 5.534 -11.819 -10.805) 16.943 12.072 ( 4.123 2.423 8.241) 9.528 12.132 ( -3.987 8.110 6.913) 11.378 12.180 ( 7.945 1.423 -6.158) 10.152 12.434 ( -0.652 0.766 -1.635) 1.920 12.574 ( -3.552 -0.101 0.744) 3.631 12.708 ( -3.499 -3.476 2.854) 5.699 12.845 ( -5.479 8.215 1.450) 9.980 13.105 ( 15.088 -5.690 9.356) 18.643 13.194 ( -10.602 4.813 0.258) 11.646 13.329 ( 12.265 20.736 10.845) 26.420 13.475 ( 1.399 4.963 3.950) 6.495 13.626 ( -8.317 -5.240 -9.085) 13.386 13.666 ( 15.015 -10.834 3.518) 18.847 13.783 ( -5.729 1.333 0.748) 5.930 13.848 ( -4.221 0.311 -6.673) 7.902 14.111 ( 3.778 -1.401 4.405) 5.970 14.251 ( -4.388 0.209 -6.123) 7.536 14.286 ( -9.318 -4.105 -4.590) 11.169 14.317 ( 6.125 6.213 0.883) 8.769 14.443 ( 1.758 -8.120 -3.930) 9.191 14.650 ( -2.173 2.315 -1.531) 3.525 14.765 ( -15.635 -2.850 -3.288) 16.229 14.960 ( -2.941 -4.870 -8.780) 10.462 15.075 ( 6.103 -7.216 1.507) 9.571 15.107 ( -1.232 -7.525 0.880) 7.676 15.335 ( 0.345 -0.177 2.606) 2.635 15.384 ( 6.107 2.560 2.256) 6.996 15.541 ( 16.800 -9.938 6.144) 20.463 15.576 ( 6.319 -6.990 4.220) 10.325 15.766 ( 2.796 -11.000 3.896) 12.000 15.913 ( -4.640 -9.387 -3.723) 11.113 16.086 ( 3.457 -6.517 8.120) 10.971 16.318 ( -2.390 -6.583 -1.587) 7.181 16.421 ( 1.682 -11.597 -2.715) 12.029 16.485 ( 6.981 -3.575 -0.893) 7.894 16.831 ( -16.993 13.880 -0.673) 21.952 16.896 ( 2.429 4.676 2.065) 5.660 17.228 ( 3.268 -5.490 -6.483) 9.102 17.347 ( 8.897 -9.965 -8.689) 15.935 17.468 ( 11.627 -14.063 3.029) 18.497 17.794 ( 5.368 -5.927 -6.435) 10.264 17.816 ( 1.290 -0.754 -0.533) 1.586 18.122 ( 1.478 -0.177 9.903) 10.015 18.223 ( 0.281 2.377 4.014) 4.674 18.287 ( -3.632 1.853 8.343) 9.286 18.467 ( 1.923 -2.292 -1.766) 3.475 18.604 ( 6.136 6.444 -8.008) 11.971 18.698 ( -3.639 10.306 0.490) 10.940 18.906 ( -5.661 1.097 0.043) 5.767 19.049 ( 4.862 -0.537 4.495) 6.643 19.155 ( -4.026 -2.733 -6.351) 8.001 19.319 ( -7.720 1.344 0.983) 7.897 19.495 ( 3.792 2.852 -1.649) 5.024 19.571 ( 1.050 0.981 2.989) 3.317 19.681 ( 3.680 -1.086 -1.042) 3.976 19.852 ( -0.900 4.041 -2.409) 4.790 19.979 ( -4.533 -7.049 -5.581) 10.069 20.121 ( -1.407 -0.211 3.727) 3.989 20.178 ( -0.459 1.828 4.047) 4.464 20.254 ( -6.872 -2.098 4.121) 8.283 21.173 ( -0.542 5.834 0.725) 5.904 21.312 ( 5.028 -5.860 -4.893) 9.142 21.336 ( -3.868 0.061 2.897) 4.833 22.066 ( 11.691 -9.663 -2.100) 15.313 22.918 ( -6.184 10.566 0.154) 12.244 23.183 ( 2.993 3.206 -3.386) 5.541 23.328 ( -4.550 1.219 -3.481) 5.857 23.411 ( -5.630 -2.537 0.290) 6.182 23.515 ( 3.751 1.217 6.764) 7.830 23.737 ( -2.884 -1.815 -1.455) 3.705 23.930 ( -0.415 4.752 0.765) 4.831 24.196 ( 2.439 3.624 -4.640) 6.372 24.468 ( 0.845 -2.871 0.648) 3.062 24.579 ( 6.348 -10.528 4.222) 12.999 25.475 ( -12.826 9.513 2.385) 16.146 26.241 ( 5.573 2.094 -5.168) 7.884 26.414 ( 1.148 -3.226 3.939) 5.219 26.680 ( 1.878 -5.531 -0.906) 5.911 ======================= Grid point 125 (60/95) ======================= q-point: (-0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.891 ( 9.785 27.879 -2.785) 29.677 4.253 ( 1.026 44.518 13.797) 46.618 4.375 ( 11.384 33.094 -16.475) 38.681 4.774 ( -2.751 25.832 -5.866) 26.633 4.847 ( -33.062 -5.674 -7.462) 34.365 5.239 ( -21.787 1.952 -6.773) 22.898 5.893 ( -25.581 -12.995 0.839) 28.704 6.060 ( -31.248 0.723 6.911) 32.011 6.157 ( -8.896 3.143 2.682) 9.809 6.308 ( -15.082 -4.183 8.301) 17.717 6.471 ( -6.494 2.890 7.213) 10.126 6.565 ( -8.277 4.779 -0.567) 9.574 6.746 ( -7.893 10.987 13.380) 19.027 7.236 ( -14.299 10.171 -0.245) 17.549 7.394 ( -9.287 6.815 0.451) 11.528 7.641 ( -5.946 2.552 -9.210) 11.256 7.798 ( -10.860 13.639 -2.295) 17.585 8.017 ( -0.515 6.505 1.292) 6.652 8.133 ( 8.414 3.226 7.529) 11.743 8.439 ( 7.199 13.565 -4.559) 16.019 8.484 ( 12.449 13.786 7.980) 20.217 8.552 ( 2.715 3.948 -7.159) 8.615 8.902 ( -3.908 4.336 2.782) 6.466 8.946 ( -10.737 2.662 -5.268) 12.252 9.140 ( 3.119 -4.270 -6.626) 8.477 9.358 ( 4.030 -4.471 -9.043) 10.863 9.422 ( 3.723 -5.265 1.815) 6.699 9.639 ( -0.544 -1.825 -0.527) 1.976 9.756 ( 9.241 -8.063 13.846) 18.496 9.899 ( 4.799 1.332 -3.713) 6.212 10.014 ( -1.305 1.252 -1.111) 2.122 10.258 ( 9.609 0.826 -5.576) 11.140 10.385 ( -2.464 8.181 3.937) 9.408 10.545 ( 9.415 3.099 1.318) 9.999 10.858 ( 5.713 -3.149 4.046) 7.676 10.938 ( 6.428 -2.649 -9.233) 11.558 11.047 ( 2.641 -4.179 2.849) 5.706 11.118 ( 2.727 -6.119 1.166) 6.800 11.358 ( 10.071 4.091 4.025) 11.592 11.531 ( -5.348 0.737 -0.957) 5.482 11.657 ( 2.503 -1.960 -5.741) 6.562 11.884 ( -4.663 9.528 2.437) 10.884 12.049 ( 4.712 -3.842 3.033) 6.794 12.093 ( 5.497 4.804 -3.999) 8.323 12.374 ( 9.694 -2.288 -2.284) 10.219 12.433 ( -0.976 -2.301 -2.713) 3.689 12.558 ( 3.225 3.692 4.596) 6.719 12.688 ( -5.337 -0.754 -4.261) 6.871 12.735 ( 3.276 2.208 3.995) 5.618 12.936 ( -6.200 15.348 6.269) 17.701 13.250 ( 10.585 15.030 2.369) 18.535 13.399 ( 9.241 17.584 12.647) 23.549 13.436 ( -6.153 -10.887 -6.675) 14.176 13.469 ( -0.875 0.807 -0.251) 1.217 13.654 ( 3.480 9.714 -10.143) 14.470 13.668 ( -5.886 2.919 -4.653) 8.051 13.973 ( 3.511 -0.216 -2.312) 4.209 14.101 ( 1.568 2.218 4.024) 4.855 14.121 ( -6.286 2.710 -6.959) 9.761 14.273 ( -9.853 -1.396 -2.448) 10.248 14.345 ( 6.838 -3.210 5.571) 9.386 14.480 ( -1.684 -3.626 -6.744) 7.840 14.578 ( -4.553 -3.383 4.435) 7.200 14.786 ( -0.093 -11.385 7.789) 13.794 14.914 ( -8.197 -6.976 -9.698) 14.488 15.127 ( -1.577 -3.027 2.106) 4.011 15.293 ( 2.329 -7.817 -8.577) 11.836 15.394 ( 3.178 -1.999 4.332) 5.733 15.470 ( 3.774 -3.694 7.735) 9.366 15.665 ( -1.614 -2.235 1.209) 3.010 15.800 ( -0.217 3.302 2.730) 4.289 15.875 ( -5.420 -6.958 1.117) 8.890 15.964 ( -4.431 -10.504 9.129) 14.605 16.275 ( 4.122 -3.477 3.026) 6.184 16.348 ( -8.386 1.324 -2.862) 8.959 16.409 ( -0.601 -2.978 -0.629) 3.103 16.626 ( 1.937 -8.705 -1.561) 9.054 16.760 ( 8.476 -5.886 6.216) 12.047 16.865 ( -0.201 -0.962 -0.592) 1.147 17.252 ( -0.203 -2.979 -12.733) 13.078 17.560 ( 9.813 -5.333 -8.534) 14.056 17.759 ( -0.987 0.869 -7.322) 7.439 17.791 ( 2.700 -6.584 -5.793) 9.176 17.850 ( 3.513 -1.960 -2.584) 4.781 18.089 ( -2.530 5.305 8.588) 10.407 18.247 ( -0.604 4.755 6.031) 7.704 18.348 ( 0.305 -4.791 1.247) 4.960 18.474 ( -1.924 4.036 4.856) 6.601 18.617 ( 3.979 -2.316 2.512) 5.245 18.709 ( 10.919 -6.551 0.684) 12.751 18.871 ( -1.886 -2.801 -4.963) 6.003 19.122 ( -2.612 -2.719 -3.292) 5.005 19.145 ( 5.904 1.995 4.560) 7.722 19.220 ( -1.017 1.859 5.737) 6.115 19.429 ( -2.028 4.829 -2.943) 6.008 19.565 ( -0.398 3.542 0.023) 3.564 19.711 ( 1.926 0.061 0.544) 2.002 19.853 ( 1.853 1.282 -0.679) 2.353 19.979 ( -3.869 1.251 -1.163) 4.229 19.996 ( -8.036 -3.150 -3.646) 9.370 20.143 ( -4.153 -0.505 3.864) 5.695 20.287 ( -0.816 -2.453 4.051) 4.806 21.005 ( -5.237 6.270 2.771) 8.627 21.290 ( -4.453 -2.310 -4.965) 7.058 21.508 ( 8.175 -3.661 1.729) 9.123 22.377 ( 12.593 -11.050 -4.762) 17.417 22.717 ( -3.133 7.772 0.449) 8.392 23.189 ( 2.056 1.338 -1.183) 2.723 23.239 ( -1.955 0.849 -2.232) 3.086 23.380 ( -5.200 -2.060 3.891) 6.814 23.537 ( -3.674 10.087 1.606) 10.854 23.616 ( -1.770 -1.515 -1.709) 2.889 23.914 ( 0.442 -0.023 -2.022) 2.070 24.112 ( 4.701 9.672 -6.005) 12.317 24.566 ( 3.266 -4.577 3.959) 6.876 24.791 ( 0.548 -7.598 6.649) 10.111 25.212 ( -9.392 5.516 1.571) 11.005 26.234 ( 3.630 4.077 -3.446) 6.455 26.489 ( 2.578 -1.569 -1.242) 3.263 26.784 ( -0.782 -7.248 1.218) 7.391 ======================= Grid point 131 (61/95) ======================= q-point: (-0.44 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.881 ( -0.796 0.000 20.849) 20.864 5.384 ( -35.298 0.000 -15.049) 38.372 5.851 ( -22.765 0.000 0.353) 22.768 6.117 ( -3.556 0.000 -10.131) 10.737 6.253 ( 1.642 -0.000 -9.681) 9.819 6.341 ( 12.639 -0.000 -1.595) 12.739 6.539 ( -13.032 0.000 7.258) 14.916 6.749 ( -20.363 0.000 -1.863) 20.448 6.973 ( -2.987 0.000 8.470) 8.981 7.140 ( -5.985 0.000 -7.339) 9.470 7.340 ( -13.971 0.000 -1.095) 14.014 7.523 ( -11.812 0.000 4.667) 12.700 7.570 ( 3.595 -0.000 13.372) 13.847 7.763 ( 4.805 -0.000 -13.971) 14.775 7.988 ( -4.314 0.000 -10.518) 11.369 7.993 ( -15.624 0.000 12.829) 20.216 8.107 ( 3.004 -0.000 -5.318) 6.108 8.108 ( 10.269 -0.000 20.079) 22.553 8.344 ( -2.408 0.000 16.743) 16.915 8.655 ( -9.356 0.000 -10.916) 14.377 8.699 ( 5.290 -0.000 7.861) 9.475 8.817 ( -19.606 0.000 -2.967) 19.829 8.986 ( 2.161 -0.000 -13.956) 14.122 9.056 ( 16.129 -0.000 -0.028) 16.129 9.433 ( 2.000 -0.000 -6.191) 6.506 9.588 ( -13.638 0.000 -4.577) 14.386 9.595 ( -14.764 0.000 -2.537) 14.980 9.782 ( 4.380 -0.000 -4.147) 6.032 9.789 ( -2.213 0.000 -3.673) 4.288 9.853 ( -9.635 0.000 0.992) 9.686 10.013 ( -16.844 0.000 -5.060) 17.588 10.174 ( -7.176 0.000 -1.714) 7.377 10.358 ( 12.425 -0.000 11.060) 16.634 10.495 ( -3.967 0.000 5.676) 6.925 10.762 ( 2.096 -0.000 1.597) 2.635 10.799 ( -1.144 0.000 0.599) 1.291 11.093 ( -1.920 0.000 13.015) 13.156 11.322 ( -6.996 0.000 12.406) 14.243 11.476 ( -16.757 0.000 -3.282) 17.075 11.518 ( -11.594 0.000 4.548) 12.455 11.617 ( -3.769 0.000 -10.388) 11.051 11.767 ( 6.730 -0.000 -11.292) 13.146 11.850 ( -3.589 0.000 -5.393) 6.478 12.209 ( -0.319 0.000 -7.234) 7.241 12.348 ( 9.150 -0.000 2.357) 9.449 12.432 ( 21.141 -0.000 -11.893) 24.257 12.484 ( 2.318 -0.000 -5.491) 5.960 12.495 ( 11.829 -0.000 -2.984) 12.200 12.734 ( -9.474 0.000 -2.106) 9.705 12.802 ( 6.174 -0.000 13.776) 15.096 13.116 ( -2.775 0.000 4.510) 5.295 13.361 ( -9.768 0.000 2.787) 10.158 13.402 ( -6.962 0.000 0.225) 6.965 13.570 ( -1.910 0.000 -3.886) 4.330 13.688 ( 1.514 -0.000 10.108) 10.221 13.864 ( 8.492 -0.000 0.754) 8.526 13.906 ( -6.106 0.000 -3.337) 6.958 13.935 ( 3.764 -0.000 -0.688) 3.826 14.037 ( 5.580 -0.000 5.550) 7.870 14.233 ( 10.631 -0.000 5.452) 11.948 14.279 ( 2.893 -0.000 5.867) 6.542 14.325 ( 21.599 -0.000 1.850) 21.678 14.368 ( 12.015 -0.000 2.070) 12.192 14.537 ( 8.627 -0.000 -5.747) 10.366 14.695 ( 4.004 -0.000 6.512) 7.645 14.935 ( -3.226 0.000 0.427) 3.254 15.019 ( 2.807 -0.000 -4.042) 4.921 15.106 ( -1.170 0.000 -2.083) 2.389 15.112 ( 7.690 -0.000 0.177) 7.692 15.347 ( -2.269 0.000 -7.381) 7.722 15.623 ( 1.614 -0.000 -1.975) 2.550 15.788 ( -7.658 0.000 -5.796) 9.604 15.892 ( 2.876 -0.000 -5.045) 5.808 15.994 ( 3.123 -0.000 -2.527) 4.018 16.220 ( -8.995 0.000 -0.592) 9.014 16.221 ( -5.084 0.000 3.586) 6.222 16.396 ( -2.493 0.000 -0.400) 2.525 16.670 ( 11.581 -0.000 -2.825) 11.921 16.697 ( 6.808 -0.000 6.431) 9.365 16.970 ( 14.666 -0.000 2.240) 14.836 17.126 ( 9.251 -0.000 5.314) 10.669 17.226 ( 4.761 -0.000 -2.421) 5.341 17.872 ( -18.991 0.000 -2.163) 19.114 17.895 ( -1.778 0.000 -1.899) 2.601 18.168 ( 9.615 -0.000 4.593) 10.656 18.178 ( 0.005 -0.000 8.974) 8.974 18.502 ( -11.542 0.000 -6.344) 13.170 18.551 ( -7.454 0.000 2.166) 7.762 18.694 ( 10.894 -0.000 3.841) 11.551 18.855 ( 4.593 -0.000 7.589) 8.871 19.030 ( -2.498 0.000 -10.805) 11.090 19.177 ( -0.266 0.000 0.587) 0.645 19.270 ( -7.039 0.000 -5.304) 8.814 19.342 ( -2.225 0.000 -13.205) 13.391 19.428 ( -3.176 0.000 -4.695) 5.668 19.531 ( 1.917 -0.000 -0.154) 1.923 19.646 ( 1.052 -0.000 3.016) 3.195 19.768 ( -4.283 0.000 6.678) 7.934 19.795 ( 0.075 -0.000 8.353) 8.353 20.096 ( 2.203 -0.000 -6.508) 6.871 20.282 ( -5.728 0.000 2.747) 6.353 20.478 ( -2.991 0.000 1.471) 3.333 20.914 ( 8.771 -0.000 9.744) 13.110 21.197 ( 3.013 -0.000 -8.424) 8.947 21.598 ( 3.674 -0.000 2.389) 4.382 21.741 ( -1.077 0.000 -4.102) 4.241 23.257 ( 1.190 -0.000 -0.099) 1.194 23.265 ( -1.103 0.000 -2.157) 2.422 23.396 ( -0.594 0.000 2.996) 3.054 23.460 ( -8.465 0.000 -8.054) 11.685 23.575 ( -5.924 0.000 7.430) 9.503 23.606 ( 0.801 -0.000 5.589) 5.646 23.867 ( 9.213 -0.000 3.801) 9.966 24.175 ( 2.530 -0.000 -6.504) 6.978 24.263 ( -7.318 0.000 -4.472) 8.576 24.407 ( 8.119 -0.000 2.099) 8.386 26.001 ( -7.469 0.000 -3.377) 8.197 26.074 ( 2.080 -0.000 2.265) 3.075 26.345 ( -0.229 0.000 4.829) 4.834 26.555 ( 3.860 -0.000 -2.995) 4.885 ======================= Grid point 132 (62/95) ======================= q-point: (-0.33 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.770 ( -23.627 7.419 1.355) 24.802 4.960 ( -14.434 -1.788 7.091) 16.181 5.413 ( -27.678 6.397 0.296) 28.409 5.849 ( -31.655 1.708 -1.179) 31.723 5.909 ( -28.496 5.728 -15.539) 32.959 6.265 ( 6.333 21.193 3.915) 22.463 6.369 ( -5.552 16.929 -3.419) 18.142 6.531 ( -8.270 28.446 -0.698) 29.632 6.676 ( -5.300 6.407 7.736) 11.358 6.951 ( -12.307 7.999 -3.007) 14.982 7.061 ( -16.112 18.464 -2.384) 24.621 7.330 ( -19.512 3.868 8.406) 21.595 7.555 ( -2.364 -6.213 5.587) 8.684 7.739 ( -3.530 1.487 4.302) 5.760 7.851 ( -4.149 0.527 -8.700) 9.653 7.980 ( -9.541 3.951 -1.141) 10.389 8.106 ( 0.201 -3.513 -4.789) 5.943 8.187 ( -13.052 5.689 3.850) 14.749 8.314 ( -22.043 0.073 -6.500) 22.982 8.489 ( -6.486 -2.638 5.366) 8.821 8.561 ( 4.177 -3.183 10.148) 11.427 8.770 ( -7.093 11.047 -7.998) 15.373 8.965 ( 10.045 -1.408 9.139) 13.653 9.199 ( 0.051 0.436 -5.433) 5.451 9.259 ( -16.643 3.172 -2.195) 17.084 9.347 ( -9.263 6.250 -15.353) 18.989 9.468 ( 4.585 -3.021 6.805) 8.744 9.570 ( 2.645 4.020 3.915) 6.204 9.663 ( -11.682 -1.483 -0.491) 11.786 9.822 ( -9.406 0.718 1.256) 9.517 9.962 ( 0.717 -1.624 -0.237) 1.791 10.176 ( 1.027 -3.862 -4.537) 6.046 10.402 ( -4.323 6.493 7.165) 10.592 10.592 ( 4.843 -1.226 3.985) 6.390 10.650 ( -3.331 -3.045 5.418) 7.052 10.743 ( -12.456 5.328 -1.477) 13.628 11.023 ( -2.633 -0.743 -0.433) 2.770 11.154 ( -4.040 14.290 8.790) 17.256 11.348 ( 2.266 -4.455 2.053) 5.403 11.427 ( -3.972 -7.093 -16.461) 18.359 11.595 ( -2.009 -3.850 -0.490) 4.370 11.779 ( 0.243 -2.979 -3.629) 4.701 12.045 ( 3.993 -16.323 -5.164) 17.580 12.207 ( 9.717 7.859 -3.822) 13.069 12.261 ( -0.614 8.087 -8.996) 12.113 12.415 ( -8.826 -3.878 -6.305) 11.519 12.483 ( -3.703 0.785 2.733) 4.668 12.657 ( 4.784 1.169 3.034) 5.784 12.799 ( 4.716 -3.181 -1.939) 6.010 13.055 ( -9.867 5.302 8.310) 13.947 13.149 ( 8.674 -14.167 7.799) 18.351 13.232 ( 0.889 -9.657 -0.113) 9.699 13.420 ( -4.616 -5.505 -6.592) 9.750 13.569 ( 0.109 -5.454 -2.136) 5.859 13.677 ( -5.918 0.935 4.320) 7.386 13.806 ( 3.848 7.432 2.831) 8.835 13.881 ( 1.781 5.157 6.101) 8.185 13.966 ( -0.125 -7.174 0.965) 7.240 14.204 ( -1.270 4.563 -3.552) 5.920 14.235 ( -7.382 -10.994 4.729) 14.061 14.428 ( 10.769 1.694 9.747) 14.623 14.491 ( 13.340 10.433 4.472) 17.516 14.587 ( 4.317 -0.213 -7.605) 8.747 14.789 ( 21.174 3.680 -2.649) 21.654 14.860 ( 3.006 -3.286 -5.203) 6.849 14.961 ( 8.550 -10.971 4.433) 14.599 15.097 ( 3.609 -0.741 1.898) 4.145 15.140 ( 7.677 2.019 2.568) 8.343 15.342 ( 11.532 -7.471 6.647) 15.264 15.382 ( 8.455 -8.326 -2.881) 12.211 15.585 ( 2.146 8.582 2.339) 9.150 15.670 ( 4.424 6.538 -7.091) 10.611 15.901 ( -5.465 -8.407 -4.522) 11.000 15.977 ( 4.940 6.125 0.894) 7.920 16.139 ( 2.878 5.114 0.521) 5.891 16.248 ( 3.245 -7.819 -2.395) 8.798 16.403 ( 4.561 -1.830 -5.778) 7.585 16.857 ( 6.039 -5.755 2.242) 8.638 16.961 ( 14.440 -12.007 1.427) 18.834 17.096 ( 4.476 4.870 2.741) 7.160 17.212 ( 10.326 0.464 -5.419) 11.671 17.443 ( -1.107 -0.514 -6.388) 6.503 17.517 ( -4.280 1.187 1.555) 4.706 17.833 ( -3.481 0.608 -1.849) 3.988 18.181 ( 1.377 3.995 7.142) 8.298 18.269 ( -7.370 0.844 -2.898) 7.964 18.361 ( 1.993 -0.979 3.510) 4.154 18.482 ( -2.807 1.116 5.943) 6.667 18.775 ( 0.897 3.083 -4.203) 5.289 18.874 ( -7.004 2.140 -2.637) 7.784 18.985 ( 2.305 1.540 8.374) 8.820 19.083 ( -6.304 1.871 -8.290) 10.581 19.128 ( -3.082 2.804 -5.214) 6.674 19.259 ( -5.695 -0.676 4.180) 7.097 19.461 ( 2.770 -4.534 0.886) 5.386 19.553 ( -1.979 -0.307 -4.650) 5.063 19.629 ( 2.816 -1.332 0.062) 3.115 19.811 ( 1.990 -3.014 3.619) 5.113 19.934 ( 0.396 -9.446 8.878) 12.970 20.013 ( -5.060 3.682 -6.964) 9.362 20.263 ( 0.178 1.426 2.025) 2.483 20.364 ( -4.561 7.719 3.586) 9.657 21.115 ( 9.400 -4.472 3.609) 11.018 21.231 ( 4.542 -2.052 -7.455) 8.968 21.526 ( -3.558 10.585 -1.341) 11.247 21.809 ( 3.722 -9.106 -1.245) 9.915 23.164 ( -8.646 5.491 -1.466) 10.346 23.249 ( -0.037 1.362 -2.169) 2.561 23.323 ( -3.675 -0.877 -3.538) 5.176 23.396 ( -1.534 -1.257 1.027) 2.234 23.520 ( -3.130 2.186 8.534) 9.349 23.692 ( 4.325 0.063 1.888) 4.719 24.035 ( -4.722 -4.380 3.158) 7.173 24.126 ( 10.269 1.858 -1.263) 10.512 24.262 ( -1.992 -7.905 -4.857) 9.490 24.498 ( 5.123 0.688 0.286) 5.177 25.771 ( -10.780 9.554 -2.494) 14.619 26.175 ( 3.712 -5.387 -0.379) 6.553 26.360 ( -1.449 -0.756 5.618) 5.851 26.616 ( 5.888 -0.211 -3.021) 6.621 ======================= Grid point 133 (63/95) ======================= q-point: (-0.22 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.331 ( -28.367 1.296 -2.050) 28.471 4.743 ( -21.174 9.138 6.207) 23.883 4.975 ( -20.804 6.105 -0.389) 21.685 5.212 ( -32.475 5.799 -6.550) 33.632 5.374 ( -30.945 5.802 -8.175) 32.529 5.842 ( -15.574 41.425 8.934) 45.148 5.945 ( 4.130 29.578 -4.725) 30.237 6.152 ( 0.168 13.116 4.417) 13.840 6.500 ( -6.743 12.818 7.157) 16.155 6.592 ( -14.675 17.538 11.191) 25.459 6.669 ( -5.833 11.996 -7.301) 15.206 7.017 ( -15.464 18.442 -3.907) 24.382 7.154 ( -14.375 15.487 3.365) 21.396 7.581 ( -25.822 6.105 -5.231) 27.045 7.624 ( -17.123 0.705 -5.708) 18.063 7.712 ( -12.988 10.507 -1.631) 16.785 7.959 ( -17.178 -5.525 2.937) 18.282 8.058 ( -6.819 -2.550 1.651) 7.465 8.215 ( -1.046 -4.485 -8.515) 9.681 8.257 ( -15.668 9.130 0.295) 18.136 8.627 ( 0.470 -1.744 -4.585) 4.928 8.740 ( 0.453 -8.650 6.287) 10.702 9.016 ( -2.991 7.167 -0.408) 7.777 9.065 ( -2.185 4.462 -3.023) 5.816 9.187 ( 6.298 2.109 5.857) 8.855 9.306 ( 8.106 -7.872 5.167) 12.425 9.396 ( -4.195 12.453 -1.515) 13.228 9.651 ( -4.671 5.987 -2.314) 7.938 9.699 ( 5.521 -4.610 13.354) 15.168 9.861 ( 2.931 -6.923 -3.311) 8.215 9.939 ( 4.323 -8.675 4.778) 10.806 10.145 ( -2.205 1.086 3.227) 4.057 10.398 ( 2.699 -7.053 -1.975) 7.806 10.550 ( -0.152 1.901 -3.577) 4.054 10.678 ( -4.245 -7.638 2.791) 9.173 10.797 ( 1.615 -5.890 -6.419) 8.860 11.044 ( 3.639 5.358 3.582) 7.402 11.080 ( 1.822 -5.642 2.323) 6.368 11.281 ( -5.155 -8.254 -3.565) 10.364 11.541 ( -0.770 1.931 -3.354) 3.946 11.616 ( -5.412 -9.200 -7.685) 13.152 11.817 ( 6.279 -1.973 4.414) 7.925 12.066 ( -12.368 -5.707 -16.074) 21.069 12.158 ( -6.027 4.832 -1.820) 7.936 12.224 ( 2.168 2.256 -6.062) 6.822 12.351 ( 0.342 -1.158 6.390) 6.503 12.493 ( 1.024 -7.800 -1.573) 8.022 12.718 ( 4.252 3.354 2.075) 5.800 12.826 ( -7.506 -2.814 2.474) 8.389 12.946 ( -4.133 -5.699 3.801) 8.001 13.116 ( -14.879 -5.306 -0.058) 15.797 13.355 ( -11.494 -5.911 -3.689) 13.441 13.540 ( -0.903 3.210 -1.492) 3.653 13.638 ( 3.276 -2.175 -1.234) 4.122 13.736 ( 5.552 -13.172 8.650) 16.708 13.823 ( 0.734 4.115 -5.543) 6.942 13.900 ( 12.578 2.676 14.062) 19.055 14.015 ( -4.199 -3.794 -1.115) 5.768 14.154 ( -1.307 -1.960 1.662) 2.883 14.201 ( -7.216 0.636 2.450) 7.647 14.459 ( -8.653 1.365 -3.253) 9.344 14.544 ( 4.648 5.473 12.533) 14.444 14.646 ( 17.377 9.919 1.878) 20.097 14.767 ( 4.810 12.865 -6.088) 15.024 14.945 ( 4.245 3.464 -7.052) 8.930 15.025 ( 4.730 -5.733 3.522) 8.225 15.130 ( 0.439 3.877 -0.150) 3.905 15.408 ( 9.550 -1.508 1.211) 9.744 15.446 ( -0.350 0.978 2.645) 2.842 15.597 ( 2.832 -3.250 -1.298) 4.502 15.671 ( 10.065 -8.913 2.682) 13.709 15.705 ( 10.803 -2.262 -7.140) 13.146 15.950 ( 8.186 6.821 1.243) 10.728 16.078 ( 7.510 -7.353 4.865) 11.581 16.324 ( 9.897 1.913 0.699) 10.104 16.395 ( 16.826 -8.528 -2.796) 19.070 16.506 ( 5.656 -4.695 -2.424) 7.740 16.801 ( -12.931 14.479 -3.231) 19.680 17.061 ( 3.341 8.904 2.739) 9.897 17.187 ( 3.952 -1.396 -2.853) 5.071 17.322 ( 8.847 -8.226 -7.765) 14.361 17.409 ( 10.014 -12.486 -4.569) 16.645 17.712 ( 4.173 -2.838 -7.208) 8.799 17.901 ( 8.111 -7.875 7.215) 13.412 18.084 ( -6.393 1.842 -3.365) 7.456 18.274 ( 1.855 -1.108 6.021) 6.397 18.355 ( 0.762 4.264 8.368) 9.423 18.495 ( -0.366 1.995 2.367) 3.117 18.665 ( -6.177 1.156 -1.651) 6.498 18.732 ( 1.272 3.512 -7.104) 8.026 18.836 ( -9.169 3.585 -2.005) 10.047 19.037 ( -3.002 -3.731 -4.632) 6.663 19.169 ( -1.042 -1.703 10.809) 10.991 19.220 ( 0.062 0.720 4.675) 4.731 19.507 ( -3.125 -1.406 -5.272) 6.288 19.602 ( 4.191 -6.430 1.734) 7.869 19.701 ( 2.354 0.446 2.404) 3.394 19.835 ( -4.964 3.613 -5.159) 8.019 19.891 ( 1.965 -1.055 -0.278) 2.248 20.078 ( -0.715 -5.516 5.930) 8.131 20.170 ( -7.062 6.691 0.403) 9.736 20.265 ( 1.204 2.914 3.353) 4.603 21.238 ( -1.644 4.124 -8.530) 9.616 21.287 ( -0.802 7.261 1.627) 7.484 21.359 ( 7.027 -5.743 1.894) 9.271 22.038 ( 8.232 -12.705 -3.484) 15.534 22.939 ( -8.821 6.732 0.663) 11.116 23.229 ( 1.101 1.062 -2.345) 2.800 23.280 ( -2.629 0.255 -0.298) 2.658 23.359 ( -2.214 3.783 -2.180) 4.895 23.510 ( -4.563 -5.557 2.139) 7.502 23.738 ( 3.845 2.907 1.569) 5.069 23.955 ( -3.557 3.777 5.442) 7.519 24.289 ( -0.170 -0.703 -2.789) 2.882 24.326 ( 1.957 -9.004 -2.063) 9.442 24.587 ( 5.202 -4.265 2.374) 7.134 25.462 ( -10.680 10.559 -0.334) 15.022 26.258 ( 0.693 -1.870 -3.008) 3.609 26.417 ( 2.155 -3.960 4.723) 6.529 26.688 ( 6.085 0.231 -2.336) 6.522 ======================= Grid point 134 (64/95) ======================= q-point: (-0.11 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.827 ( -42.835 -3.834 -1.842) 43.046 4.351 ( -11.220 5.975 2.328) 12.924 4.661 ( -17.166 -2.013 -2.012) 17.401 4.866 ( -9.755 2.400 -21.993) 24.179 4.925 ( -9.738 9.730 2.069) 13.921 5.145 ( -7.643 35.292 13.753) 38.641 5.660 ( 3.604 19.537 2.811) 20.065 5.935 ( -16.820 23.435 -20.241) 35.240 5.959 ( -9.769 10.838 -2.019) 14.730 6.230 ( -6.890 12.746 16.124) 21.678 6.530 ( 1.597 9.504 -0.666) 9.660 6.767 ( 4.551 10.723 10.331) 15.570 6.907 ( -2.132 8.348 17.134) 19.179 7.147 ( -21.460 0.161 -3.721) 21.781 7.368 ( -19.080 -5.020 -8.234) 21.379 7.392 ( -7.779 7.429 1.441) 10.853 7.807 ( -9.271 6.870 5.166) 12.642 7.886 ( -13.034 -7.249 -4.981) 15.724 8.038 ( -11.020 -1.195 3.585) 11.650 8.277 ( 2.816 -0.644 -2.599) 3.886 8.547 ( -6.016 -0.605 -5.637) 8.267 8.819 ( -2.968 3.958 -0.813) 5.014 8.952 ( 2.994 11.074 -1.809) 11.613 9.010 ( -0.078 -10.701 -5.332) 11.956 9.186 ( 2.120 4.321 -8.354) 9.642 9.377 ( 11.245 -0.781 13.184) 17.345 9.400 ( -2.945 5.234 -4.799) 7.687 9.654 ( 6.490 -6.426 1.966) 9.342 9.879 ( -1.036 -6.523 -1.773) 6.839 9.934 ( 8.920 1.988 12.684) 15.633 9.976 ( -7.869 -0.543 5.178) 9.436 10.375 ( 11.962 -5.630 -0.343) 13.225 10.442 ( -1.026 3.749 -7.543) 8.485 10.547 ( -3.839 -6.376 -3.007) 8.027 10.745 ( -9.098 -18.560 3.101) 20.901 10.908 ( 6.681 -6.515 -7.092) 11.720 11.079 ( 3.386 -1.564 5.773) 6.873 11.190 ( 3.998 2.680 6.851) 8.373 11.335 ( -8.281 -10.220 0.468) 13.162 11.539 ( -3.652 1.032 -1.384) 4.039 11.583 ( 5.866 -4.714 -1.275) 7.633 11.864 ( -18.685 -10.624 -10.899) 24.099 11.936 ( -8.072 2.819 -2.529) 8.916 12.109 ( 10.876 -4.453 0.658) 11.770 12.185 ( 2.467 -4.191 -4.911) 6.911 12.415 ( -2.146 -2.802 2.929) 4.587 12.557 ( -12.458 0.779 -2.151) 12.667 12.649 ( 6.045 -2.383 2.514) 6.967 12.899 ( -2.289 -1.353 2.463) 3.624 12.956 ( -4.272 -2.733 8.521) 9.915 13.018 ( -9.004 -7.050 -2.339) 11.672 13.224 ( -21.602 -8.088 1.970) 23.151 13.449 ( -2.487 2.465 -2.939) 4.572 13.605 ( 4.261 4.217 -0.844) 6.054 13.725 ( -1.859 3.903 -13.446) 14.124 13.898 ( -5.872 0.254 -1.211) 6.001 14.003 ( -10.279 -3.010 -1.230) 10.781 14.039 ( -4.636 -6.283 0.333) 7.815 14.103 ( -1.262 4.219 -4.925) 6.607 14.202 ( 19.289 7.104 16.910) 26.618 14.415 ( -1.260 -5.390 6.877) 8.828 14.524 ( -1.325 6.231 7.302) 9.690 14.676 ( 9.677 8.138 3.857) 13.219 14.711 ( 7.197 7.471 -8.813) 13.612 14.903 ( 10.447 6.308 -6.405) 13.782 15.102 ( 2.440 1.351 -0.227) 2.798 15.260 ( 5.068 -6.123 1.471) 8.084 15.464 ( 0.158 -4.483 6.382) 7.801 15.492 ( 4.890 0.702 0.994) 5.039 15.628 ( -0.844 -1.693 -6.668) 6.931 15.737 ( 3.855 6.320 -0.553) 7.423 15.915 ( 0.643 6.749 3.785) 7.764 15.981 ( 10.304 -3.435 6.439) 12.626 16.282 ( -12.216 11.899 -1.143) 17.092 16.374 ( 15.279 -2.465 1.136) 15.518 16.427 ( 7.148 1.431 -2.593) 7.738 16.567 ( 2.584 -4.771 -4.539) 7.074 16.836 ( 10.748 -5.752 2.960) 12.544 16.985 ( 3.502 10.171 4.400) 11.622 17.199 ( 3.208 2.135 -8.268) 9.121 17.531 ( 2.686 -5.118 -7.127) 9.176 17.638 ( 6.791 -9.248 -11.103) 15.966 17.782 ( 4.438 -1.825 -0.317) 4.809 17.971 ( 4.158 3.927 -0.095) 5.720 18.105 ( -3.189 -0.758 3.655) 4.910 18.248 ( -1.163 -1.867 4.366) 4.889 18.346 ( -5.698 5.272 -6.327) 10.015 18.491 ( 1.255 -1.945 9.495) 9.773 18.602 ( -3.015 -2.171 4.755) 6.034 18.764 ( 0.973 -5.400 -0.979) 5.574 18.840 ( 11.257 -2.069 -3.729) 12.038 19.029 ( -5.053 -4.004 0.046) 6.448 19.178 ( 1.405 -4.151 -0.370) 4.398 19.290 ( 3.235 2.052 8.762) 9.562 19.439 ( -3.060 1.601 -2.138) 4.061 19.601 ( -4.304 6.195 -4.004) 8.540 19.744 ( 2.901 -2.564 4.242) 5.743 19.806 ( -4.372 -4.190 -1.649) 6.277 19.883 ( -1.556 2.413 0.462) 2.908 20.021 ( 1.124 4.224 -2.294) 4.937 20.123 ( 1.165 1.248 4.280) 4.608 20.270 ( -1.659 -0.740 3.243) 3.717 21.028 ( -5.800 7.033 0.303) 9.121 21.221 ( -2.276 2.365 -3.581) 4.858 21.560 ( 6.764 -4.788 0.258) 8.291 22.340 ( 10.276 -13.183 -6.220) 17.834 22.770 ( -3.629 5.102 2.071) 6.594 23.199 ( -2.851 1.745 1.146) 3.534 23.224 ( -1.542 1.208 -4.368) 4.787 23.321 ( -0.897 -2.217 2.120) 3.196 23.448 ( -8.946 1.700 -4.495) 10.156 23.740 ( 4.515 5.041 6.062) 9.085 23.946 ( 3.248 1.256 1.956) 3.994 24.190 ( -4.960 2.554 -7.268) 9.162 24.456 ( -1.637 -9.269 0.707) 9.439 24.746 ( 1.841 -5.912 7.049) 9.382 25.218 ( -5.294 7.807 0.949) 9.480 26.255 ( -1.525 -1.268 -2.107) 2.894 26.515 ( 3.605 -1.493 -1.243) 4.095 26.757 ( 4.544 0.248 0.286) 4.560 ======================= Grid point 141 (65/95) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.317 ( -31.903 0.000 -3.584) 32.104 4.740 ( -37.641 0.000 10.107) 38.974 5.191 ( -5.938 0.000 9.485) 11.191 5.334 ( -38.984 0.000 4.636) 39.258 5.349 ( -40.370 0.000 -22.005) 45.978 6.417 ( -0.976 0.000 1.368) 1.681 6.475 ( -13.679 0.000 -3.684) 14.167 6.671 ( 6.380 -0.000 -5.872) 8.671 6.802 ( -7.231 0.000 -3.436) 8.006 6.892 ( -11.963 0.000 4.804) 12.892 7.012 ( -8.947 0.000 10.227) 13.588 7.091 ( -15.506 0.000 4.580) 16.169 7.457 ( -48.900 0.000 -7.199) 49.427 7.484 ( 1.086 -0.000 5.364) 5.473 7.674 ( -14.186 0.000 -8.806) 16.698 7.749 ( -17.205 0.000 -16.638) 23.934 7.866 ( -4.368 0.000 9.309) 10.283 8.045 ( -7.207 0.000 5.171) 8.870 8.100 ( -8.367 0.000 2.251) 8.665 8.473 ( -11.080 0.000 2.721) 11.409 8.590 ( 2.996 -0.000 15.420) 15.709 8.897 ( -8.978 0.000 -9.425) 13.017 8.930 ( -4.294 0.000 -11.270) 12.060 9.141 ( 3.881 -0.000 20.150) 20.520 9.222 ( 1.368 -0.000 -4.317) 4.529 9.322 ( 6.900 -0.000 -12.222) 14.035 9.411 ( -9.010 0.000 1.423) 9.122 9.467 ( -6.288 0.000 2.177) 6.654 9.720 ( 3.647 -0.000 2.856) 4.632 9.723 ( -6.616 0.000 1.601) 6.807 9.822 ( -1.564 0.000 0.064) 1.566 10.285 ( -2.448 0.000 2.026) 3.178 10.406 ( -1.912 0.000 6.194) 6.483 10.425 ( -17.109 0.000 8.980) 19.322 10.631 ( 1.396 -0.000 4.889) 5.084 10.865 ( 1.201 -0.000 -3.019) 3.249 10.921 ( -7.820 0.000 -5.985) 9.848 10.969 ( -9.758 0.000 -2.097) 9.981 11.141 ( -9.065 0.000 -15.938) 18.336 11.173 ( -10.592 0.000 -7.758) 13.129 11.751 ( 1.254 -0.000 -3.491) 3.709 11.858 ( 11.560 -0.000 13.994) 18.151 11.935 ( -0.160 0.000 -10.022) 10.024 12.011 ( -2.670 0.000 -10.015) 10.365 12.307 ( -1.926 0.000 -8.381) 8.600 12.393 ( -13.192 0.000 4.411) 13.910 12.444 ( 0.531 -0.000 4.868) 4.897 12.749 ( 1.450 -0.000 4.137) 4.383 12.971 ( -17.309 0.000 4.591) 17.907 13.035 ( 12.769 -0.000 -10.586) 16.586 13.042 ( -12.832 0.000 3.152) 13.214 13.136 ( 9.150 -0.000 10.792) 14.149 13.161 ( -11.267 0.000 -4.453) 12.115 13.584 ( 4.919 -0.000 -0.164) 4.922 13.693 ( 5.481 -0.000 1.543) 5.694 13.884 ( -1.276 0.000 1.208) 1.757 13.924 ( 4.005 -0.000 -10.221) 10.978 14.034 ( -5.235 0.000 5.230) 7.400 14.087 ( 4.377 -0.000 15.969) 16.558 14.132 ( -5.353 0.000 -1.577) 5.580 14.488 ( -14.635 0.000 3.108) 14.961 14.682 ( 10.876 -0.000 14.911) 18.456 14.775 ( 2.945 -0.000 -10.156) 10.574 14.851 ( 3.039 -0.000 7.504) 8.096 14.993 ( 18.039 -0.000 0.664) 18.051 15.166 ( 9.040 -0.000 0.683) 9.065 15.289 ( 17.028 -0.000 2.714) 17.243 15.347 ( 17.478 -0.000 -1.074) 17.511 15.411 ( -1.490 0.000 3.736) 4.022 15.429 ( -3.820 0.000 -10.108) 10.806 15.615 ( 11.540 -0.000 -6.711) 13.349 15.762 ( 12.953 -0.000 -13.403) 18.640 15.876 ( 14.377 -0.000 12.192) 18.851 16.133 ( 5.510 -0.000 9.463) 10.951 16.218 ( 12.344 -0.000 -0.419) 12.351 16.343 ( 15.580 -0.000 -7.019) 17.088 16.530 ( 14.514 -0.000 -6.930) 16.083 16.944 ( 5.488 -0.000 -9.952) 11.365 16.978 ( 7.991 -0.000 8.188) 11.441 17.241 ( 9.778 -0.000 -2.319) 10.049 17.338 ( -7.573 0.000 -5.278) 9.231 17.379 ( 5.149 -0.000 -2.581) 5.759 17.546 ( 13.042 -0.000 0.940) 13.076 17.762 ( -2.092 0.000 -4.316) 4.796 18.110 ( -8.506 0.000 0.428) 8.517 18.293 ( 0.449 -0.000 4.941) 4.961 18.396 ( 3.875 -0.000 3.391) 5.149 18.515 ( -0.229 0.000 12.350) 12.353 18.677 ( -11.569 0.000 -3.328) 12.038 18.805 ( -5.847 0.000 -6.938) 9.074 18.931 ( -8.551 0.000 -9.866) 13.056 18.937 ( -6.876 0.000 -0.820) 6.925 19.188 ( -4.886 0.000 5.454) 7.323 19.257 ( 6.237 -0.000 10.368) 12.100 19.436 ( -7.451 0.000 -8.781) 11.517 19.462 ( 3.161 -0.000 -0.601) 3.217 19.684 ( 5.884 -0.000 3.178) 6.688 19.869 ( 1.472 -0.000 -4.906) 5.122 19.914 ( 4.381 -0.000 9.990) 10.908 19.958 ( -5.409 0.000 6.420) 8.395 20.277 ( -0.585 0.000 -2.305) 2.378 20.366 ( -4.676 0.000 2.761) 5.430 21.234 ( 10.268 -0.000 0.084) 10.268 21.244 ( 4.003 -0.000 -8.453) 9.353 21.631 ( -3.728 0.000 1.629) 4.069 21.696 ( 3.433 -0.000 -3.224) 4.709 23.048 ( -10.435 0.000 -3.795) 11.104 23.245 ( -0.471 0.000 -1.182) 1.272 23.299 ( 1.349 -0.000 -1.492) 2.011 23.326 ( -7.540 0.000 8.811) 11.597 23.524 ( -3.353 0.000 -4.414) 5.544 23.801 ( 6.237 -0.000 6.417) 8.949 23.970 ( -2.097 0.000 5.108) 5.521 24.108 ( -5.337 0.000 -6.194) 8.176 24.293 ( 10.014 -0.000 -0.866) 10.052 24.553 ( 2.253 -0.000 0.591) 2.329 25.659 ( -12.670 0.000 -4.979) 13.613 26.195 ( 4.217 -0.000 -1.079) 4.353 26.349 ( -1.896 0.000 8.746) 8.949 26.706 ( 8.533 -0.000 -4.407) 9.604 ======================= Grid point 142 (66/95) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.865 ( -35.665 2.419 -1.400) 35.774 4.211 ( -47.587 -10.850 3.809) 48.957 4.584 ( -36.838 9.786 -14.809) 40.892 4.882 ( -25.925 -0.641 0.382) 25.935 5.211 ( -2.472 3.347 14.329) 14.921 5.978 ( -32.702 8.074 -9.823) 35.087 6.290 ( -5.289 22.159 5.445) 23.423 6.512 ( -23.051 11.805 -4.227) 26.241 6.562 ( -12.422 7.948 -4.482) 15.414 6.644 ( -3.043 3.192 -0.012) 4.410 6.790 ( -2.314 18.266 8.409) 20.241 6.818 ( -15.956 14.382 -0.778) 21.495 7.090 ( -2.201 -2.565 8.140) 8.814 7.242 ( -9.832 17.433 -5.773) 20.830 7.447 ( -5.537 1.065 -4.039) 6.936 7.711 ( -3.765 -3.674 0.393) 5.275 7.831 ( -11.129 5.368 8.816) 15.179 7.965 ( -3.979 3.575 2.655) 5.972 8.096 ( -2.110 -1.059 0.979) 2.555 8.242 ( -7.979 5.476 -0.286) 9.681 8.537 ( -13.472 2.594 -2.807) 14.004 8.676 ( 0.786 -2.900 3.310) 4.471 8.919 ( -5.516 -0.887 -11.830) 13.083 9.196 ( -10.180 -6.510 0.487) 12.093 9.234 ( 2.020 -2.096 4.787) 5.603 9.289 ( 3.026 2.146 -8.371) 9.156 9.391 ( 1.741 -2.658 8.339) 8.924 9.600 ( -2.483 -14.530 4.857) 15.520 9.646 ( 0.110 -1.403 -2.623) 2.977 9.781 ( -5.695 -2.449 6.949) 9.312 9.945 ( 0.237 -3.996 6.128) 7.319 10.112 ( -4.499 0.578 1.288) 4.715 10.265 ( -10.638 -6.235 -2.430) 12.568 10.392 ( -5.665 -4.920 -0.505) 7.520 10.517 ( -7.788 6.117 -8.390) 12.979 10.868 ( 1.298 0.377 1.927) 2.354 10.934 ( -2.706 -12.483 -7.331) 14.727 10.985 ( -4.684 -11.379 -3.068) 12.682 11.044 ( -2.230 -8.031 0.277) 8.339 11.163 ( -5.058 -14.034 -9.023) 17.434 11.689 ( 1.782 7.185 -3.506) 8.191 11.800 ( -3.841 3.656 -5.536) 7.666 12.006 ( 6.313 0.683 8.219) 10.386 12.125 ( -13.136 3.291 0.231) 13.544 12.213 ( -4.086 0.755 -2.016) 4.619 12.284 ( 0.255 -15.549 2.021) 15.682 12.393 ( -5.682 0.059 -0.390) 5.696 12.669 ( -16.568 2.074 0.947) 16.724 12.752 ( -4.387 -2.268 2.331) 5.461 12.909 ( -11.621 -2.425 3.923) 12.503 12.930 ( -12.741 -3.978 4.593) 14.116 13.058 ( 3.817 9.230 -1.738) 10.139 13.532 ( 5.081 -10.536 1.175) 11.756 13.593 ( -4.416 -1.615 -0.497) 4.728 13.750 ( 2.150 0.990 2.336) 3.326 13.824 ( -3.711 0.223 -2.327) 4.386 13.907 ( -2.642 3.320 -1.311) 4.441 13.949 ( -7.687 -1.617 -3.775) 8.715 14.059 ( 1.241 0.736 -1.032) 1.774 14.318 ( -2.996 -7.747 3.018) 8.838 14.362 ( 4.967 2.485 21.497) 22.203 14.692 ( -5.040 7.092 2.069) 8.943 14.868 ( 5.385 -6.488 -6.443) 10.612 14.898 ( -1.503 -0.788 7.291) 7.486 15.048 ( 2.005 6.850 -15.974) 17.496 15.201 ( 14.595 9.018 6.806) 18.457 15.247 ( 7.162 3.711 -2.664) 8.495 15.423 ( 2.123 1.392 0.804) 2.663 15.559 ( 11.043 1.682 -0.770) 11.197 15.595 ( 3.103 1.387 1.587) 3.751 15.751 ( 15.309 -9.390 -7.986) 19.656 15.974 ( 23.234 8.533 0.969) 24.770 16.192 ( 10.888 8.121 5.852) 14.790 16.245 ( 17.785 -2.245 4.320) 18.439 16.489 ( 6.756 -1.428 -10.156) 12.281 16.530 ( 9.771 -7.094 4.271) 12.808 16.591 ( 13.628 10.103 -2.813) 17.196 16.861 ( -1.154 10.467 -8.736) 13.682 17.179 ( 7.699 -4.605 -1.583) 9.110 17.281 ( 6.547 -0.371 5.677) 8.673 17.342 ( 6.576 4.201 -1.779) 8.003 17.444 ( 14.941 -1.638 -8.821) 17.428 17.740 ( 5.689 -2.025 -4.377) 7.459 17.863 ( 6.395 -9.750 -1.525) 11.759 18.046 ( -1.208 -1.115 7.137) 7.323 18.310 ( -1.271 2.750 3.493) 4.624 18.411 ( -4.891 3.040 -2.525) 6.288 18.499 ( -11.111 -6.154 2.213) 12.893 18.559 ( 0.965 2.735 10.504) 10.897 18.709 ( -4.399 1.760 -6.090) 7.716 18.760 ( 0.258 -1.283 -4.635) 4.816 18.900 ( -5.288 -5.402 -0.704) 7.592 19.148 ( 0.749 3.114 1.765) 3.658 19.329 ( -1.863 -0.599 -0.258) 1.974 19.364 ( -0.301 -3.063 1.448) 3.401 19.555 ( 2.277 -6.490 -1.323) 7.004 19.760 ( -7.483 3.811 -4.298) 9.434 19.793 ( 4.989 -0.021 3.755) 6.245 19.947 ( 1.641 2.211 5.056) 5.757 20.028 ( -1.843 -3.030 6.905) 7.762 20.230 ( 0.705 2.907 0.263) 3.003 20.307 ( -0.719 3.750 2.793) 4.731 21.214 ( -3.240 2.664 -6.774) 7.967 21.360 ( 1.827 -0.200 -2.929) 3.458 21.474 ( 5.661 9.440 2.729) 11.341 21.922 ( 7.169 -15.873 -3.378) 17.741 22.882 ( -8.219 2.500 -0.305) 8.596 23.224 ( -6.010 0.989 3.137) 6.851 23.249 ( 0.076 -1.382 0.197) 1.398 23.350 ( -5.181 -1.142 -4.406) 6.896 23.398 ( -0.787 2.541 -1.812) 3.219 23.875 ( 5.142 4.020 5.030) 8.240 24.006 ( 0.072 0.017 8.400) 8.400 24.030 ( -10.200 -6.956 -4.558) 13.161 24.400 ( 6.111 0.182 -5.865) 8.472 24.592 ( 1.125 -2.626 2.343) 3.694 25.429 ( -10.559 5.325 -1.080) 11.875 26.193 ( -4.551 -1.990 -2.751) 5.678 26.447 ( 6.277 -2.117 7.896) 10.307 26.800 ( 9.255 1.352 -5.581) 10.892 ======================= Grid point 143 (67/95) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( -54.024 3.679 3.136) 54.240 3.780 ( -48.698 -25.779 -8.160) 55.701 4.164 ( -8.766 -4.535 -22.065) 24.171 4.697 ( -9.237 -4.661 13.632) 17.114 5.072 ( -8.826 16.895 6.190) 20.042 5.507 ( -21.519 -3.325 -5.515) 22.462 5.843 ( -6.656 27.698 8.994) 29.872 5.975 ( -28.512 -0.153 -18.090) 33.767 6.118 ( -10.101 13.073 2.826) 16.761 6.471 ( 2.494 20.176 5.332) 21.017 6.597 ( 11.040 19.703 9.291) 24.421 6.747 ( 8.756 9.764 3.027) 13.460 7.030 ( 8.019 7.520 0.862) 11.027 7.155 ( 4.431 3.532 6.660) 8.744 7.310 ( -1.764 8.706 0.767) 8.916 7.510 ( -5.946 16.297 5.434) 18.179 7.746 ( 2.258 -4.551 -1.630) 5.336 7.818 ( -6.912 7.786 4.137) 11.203 7.890 ( -10.547 5.541 5.450) 13.101 8.299 ( 3.774 -2.510 -1.705) 4.842 8.377 ( -10.767 -5.122 0.355) 11.928 8.765 ( -4.721 1.598 -11.021) 12.096 8.833 ( 0.768 -11.849 -5.662) 13.155 9.062 ( -5.268 2.071 -12.593) 13.806 9.236 ( 3.856 3.926 -5.145) 7.533 9.409 ( -5.679 0.441 -1.452) 5.879 9.441 ( -0.131 -4.425 3.430) 5.601 9.633 ( 3.887 -7.369 4.831) 9.631 9.656 ( -8.728 -12.774 -3.569) 15.878 9.871 ( -7.840 -0.182 10.622) 13.203 9.984 ( -6.186 -12.979 9.580) 17.277 10.162 ( -14.830 -17.062 9.755) 24.621 10.280 ( -6.886 -3.976 -11.368) 13.873 10.324 ( -9.163 -6.425 -2.131) 11.393 10.474 ( 5.465 -6.804 -2.448) 9.064 10.869 ( -3.913 -6.142 -2.369) 7.658 10.976 ( -9.531 -18.678 -8.736) 22.716 11.154 ( -5.654 -7.854 1.627) 9.813 11.204 ( 3.764 -2.939 0.884) 4.856 11.244 ( 3.559 -11.529 -1.951) 12.222 11.596 ( -1.450 0.099 -5.475) 5.665 11.707 ( -0.749 4.774 1.463) 5.049 11.834 ( -14.424 2.249 -2.271) 14.773 12.123 ( -9.201 -4.900 -1.729) 10.567 12.175 ( -3.061 -4.375 4.563) 7.023 12.244 ( 0.648 -3.820 5.579) 6.792 12.469 ( -9.772 0.148 3.269) 10.305 12.645 ( -2.509 -17.092 1.462) 17.337 12.724 ( -11.084 -5.817 2.608) 12.786 12.836 ( -12.397 -12.275 7.556) 19.012 12.900 ( -3.772 6.142 4.171) 8.328 12.937 ( -1.248 3.477 5.791) 6.869 13.408 ( -8.854 1.149 -3.202) 9.485 13.571 ( -6.162 -1.941 -4.183) 7.696 13.644 ( -9.245 3.462 -14.627) 17.647 13.672 ( -14.322 2.862 -3.040) 14.918 13.901 ( -2.752 -1.754 -6.689) 7.443 13.912 ( 3.062 -1.698 -3.633) 5.046 14.085 ( 0.034 -3.924 4.071) 5.654 14.395 ( 5.451 -2.561 5.129) 7.911 14.563 ( 8.318 1.082 7.627) 11.337 14.617 ( -0.061 1.895 12.861) 13.000 14.761 ( 10.298 10.472 -13.659) 20.057 14.976 ( 5.732 2.292 1.584) 6.373 15.148 ( 4.123 2.402 -0.871) 4.850 15.255 ( 10.534 1.639 -2.986) 11.072 15.362 ( 8.105 -0.001 9.584) 12.552 15.427 ( 4.859 5.895 1.489) 7.783 15.565 ( -1.389 1.877 -0.223) 2.345 15.605 ( 2.149 1.479 1.414) 2.967 16.010 ( 13.418 4.998 -4.233) 14.931 16.155 ( 13.357 8.403 5.667) 16.767 16.177 ( 11.347 14.581 -3.889) 18.880 16.306 ( -4.582 6.914 3.383) 8.958 16.450 ( 1.258 -5.530 -11.147) 12.507 16.625 ( 8.102 10.202 -1.734) 13.143 16.670 ( 15.883 5.647 1.996) 16.975 16.879 ( 5.877 -4.183 -2.820) 7.745 17.220 ( 6.525 8.373 3.865) 11.297 17.349 ( 7.169 9.657 0.507) 12.038 17.485 ( 4.559 -3.676 -2.563) 6.393 17.640 ( 10.563 -2.761 -6.028) 12.471 17.832 ( 4.847 -1.036 -1.183) 5.096 17.915 ( -4.170 -5.549 -6.978) 9.843 18.144 ( -0.654 5.910 4.624) 7.532 18.222 ( -6.174 0.812 -9.693) 11.521 18.265 ( 3.874 -6.130 4.679) 8.631 18.513 ( -8.262 -0.320 8.887) 12.139 18.559 ( -0.155 2.142 -0.987) 2.363 18.689 ( 2.691 -7.715 4.992) 9.575 18.889 ( -3.043 -4.819 1.600) 5.920 18.980 ( 14.021 -3.493 0.376) 14.455 19.156 ( 0.677 -4.329 -3.568) 5.651 19.344 ( 3.314 -0.818 -0.200) 3.419 19.401 ( -0.874 -0.613 4.189) 4.323 19.554 ( -7.286 2.035 -11.364) 13.651 19.664 ( -1.148 -5.313 1.692) 5.693 19.832 ( -0.431 3.462 4.734) 5.881 19.925 ( 1.993 2.429 0.877) 3.262 20.028 ( -1.541 0.539 0.125) 1.637 20.247 ( -3.000 0.659 4.960) 5.834 20.287 ( 8.188 5.025 5.104) 10.879 21.029 ( -7.263 6.600 -2.086) 10.033 21.252 ( -3.814 6.786 2.290) 8.114 21.585 ( 7.875 -3.295 -3.309) 9.155 22.259 ( 10.357 -14.764 -4.502) 18.587 22.771 ( -3.758 1.359 1.441) 4.248 23.133 ( -6.530 -1.277 -4.778) 8.191 23.203 ( -3.708 3.755 1.324) 5.440 23.302 ( 1.235 -2.288 1.216) 2.870 23.383 ( -2.631 1.662 -0.909) 3.242 23.879 ( 2.225 5.455 2.869) 6.553 23.950 ( -13.908 -8.575 -2.024) 16.464 24.049 ( 3.448 1.484 4.908) 6.179 24.382 ( 0.360 0.551 -10.242) 10.263 24.698 ( -0.352 -7.104 7.087) 10.040 25.251 ( -5.124 4.819 3.144) 7.705 26.147 ( -6.129 -4.308 -1.927) 7.736 26.573 ( 6.353 1.095 1.324) 6.581 26.875 ( 8.194 2.622 -3.203) 9.180 ======================= Grid point 151 (68/95) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( -46.658 0.000 1.824) 46.694 3.381 ( -56.111 0.000 -6.350) 56.470 4.134 ( -17.424 0.000 -39.651) 43.311 4.710 ( -10.428 0.000 34.288) 35.838 4.836 ( -65.542 0.000 3.584) 65.640 5.417 ( -20.052 0.000 14.870) 24.964 6.048 ( -23.441 0.000 -23.227) 33.000 6.552 ( 0.564 -0.000 5.684) 5.712 6.606 ( -5.608 0.000 -5.767) 8.045 6.688 ( 0.690 -0.000 7.433) 7.464 6.790 ( -9.034 0.000 6.191) 10.952 6.973 ( 4.039 -0.000 -3.476) 5.329 7.106 ( 11.189 -0.000 16.649) 20.060 7.335 ( 1.624 -0.000 -2.010) 2.584 7.504 ( 6.244 -0.000 -2.080) 6.582 7.635 ( 4.358 -0.000 -1.131) 4.502 7.747 ( -9.682 0.000 3.825) 10.410 7.994 ( -8.458 0.000 1.826) 8.653 8.119 ( 0.849 -0.000 8.296) 8.340 8.237 ( 3.912 -0.000 1.020) 4.043 8.323 ( -15.418 0.000 -2.533) 15.625 8.631 ( -9.958 0.000 -9.019) 13.435 8.790 ( 2.277 -0.000 -14.525) 14.702 8.860 ( -15.516 0.000 -9.506) 18.196 9.080 ( -6.565 0.000 -2.704) 7.100 9.350 ( -14.388 0.000 4.799) 15.167 9.383 ( -2.703 0.000 -3.172) 4.167 9.486 ( 6.039 -0.000 10.385) 12.013 9.603 ( -5.948 0.000 11.311) 12.779 9.700 ( -4.343 0.000 2.202) 4.869 9.939 ( -0.226 0.000 10.975) 10.978 10.038 ( -10.696 0.000 -14.455) 17.982 10.075 ( 1.512 -0.000 -3.164) 3.507 10.235 ( -10.527 0.000 -5.455) 11.856 10.533 ( -13.949 0.000 -15.318) 20.718 10.540 ( 0.036 -0.000 6.107) 6.107 10.860 ( -3.421 0.000 3.881) 5.174 10.896 ( 0.666 -0.000 1.124) 1.307 11.071 ( 3.085 -0.000 0.062) 3.086 11.123 ( 11.350 -0.000 5.185) 12.478 11.716 ( -2.715 0.000 -7.767) 8.228 11.783 ( -4.991 0.000 -5.818) 7.665 11.888 ( -19.905 0.000 -1.617) 19.970 12.030 ( -12.866 0.000 3.052) 13.223 12.141 ( -3.205 0.000 2.618) 4.139 12.167 ( 0.738 -0.000 1.214) 1.421 12.193 ( -15.189 0.000 6.180) 16.398 12.475 ( -16.414 0.000 5.144) 17.201 12.616 ( -18.184 0.000 7.192) 19.555 12.646 ( -7.058 0.000 -3.588) 7.918 12.836 ( -1.723 0.000 0.033) 1.724 13.236 ( -8.781 0.000 1.533) 8.914 13.418 ( -18.728 0.000 -5.404) 19.492 13.522 ( -0.344 0.000 0.992) 1.050 13.781 ( 3.027 -0.000 -12.101) 12.474 13.802 ( -8.962 0.000 5.135) 10.329 13.819 ( -8.507 0.000 -11.996) 14.707 13.844 ( 11.001 -0.000 11.411) 15.851 14.086 ( -0.620 0.000 -4.312) 4.357 14.299 ( 6.577 -0.000 8.214) 10.523 14.523 ( 3.445 -0.000 17.976) 18.303 14.686 ( 6.061 -0.000 2.405) 6.520 14.794 ( 5.262 -0.000 -10.900) 12.104 15.089 ( 8.150 -0.000 19.641) 21.265 15.104 ( 10.608 -0.000 -12.493) 16.389 15.299 ( 2.782 -0.000 -4.552) 5.335 15.407 ( 5.450 -0.000 2.296) 5.914 15.491 ( 2.015 -0.000 3.296) 3.863 15.601 ( -0.777 0.000 -2.960) 3.061 15.766 ( 5.520 -0.000 4.495) 7.119 15.902 ( 21.793 -0.000 -8.663) 23.452 16.355 ( 1.528 -0.000 -3.806) 4.102 16.356 ( 19.490 -0.000 -0.619) 19.500 16.399 ( -8.697 0.000 -16.200) 18.386 16.542 ( 9.977 -0.000 1.159) 10.045 16.611 ( 15.888 -0.000 6.356) 17.112 16.847 ( 8.962 -0.000 -3.159) 9.502 17.030 ( 20.498 -0.000 -3.928) 20.871 17.279 ( 8.293 -0.000 1.762) 8.478 17.352 ( 6.168 -0.000 4.491) 7.630 17.436 ( 2.148 -0.000 4.073) 4.605 17.719 ( 0.667 -0.000 -4.346) 4.397 17.742 ( 27.048 -0.000 -8.889) 28.472 17.885 ( 0.445 -0.000 -6.659) 6.674 18.074 ( 0.301 -0.000 11.284) 11.288 18.183 ( -13.796 0.000 -5.639) 14.904 18.372 ( -6.367 0.000 5.984) 8.738 18.377 ( 5.139 -0.000 0.343) 5.151 18.587 ( -2.942 0.000 8.837) 9.314 18.656 ( -5.920 0.000 -7.396) 9.473 18.798 ( 4.678 -0.000 5.774) 7.431 18.861 ( 11.124 -0.000 0.081) 11.124 19.147 ( -6.151 0.000 -11.153) 12.737 19.296 ( 9.581 -0.000 4.052) 10.403 19.418 ( 0.635 -0.000 3.327) 3.387 19.506 ( 0.718 -0.000 -6.772) 6.810 19.626 ( -11.912 0.000 -3.420) 12.393 19.898 ( 2.608 -0.000 8.589) 8.976 19.974 ( -3.539 0.000 1.047) 3.690 20.009 ( 0.896 -0.000 2.037) 2.225 20.238 ( -0.003 0.000 3.446) 3.446 20.405 ( 4.271 -0.000 7.692) 8.798 21.150 ( -7.137 0.000 -0.255) 7.142 21.339 ( -0.347 0.000 -10.548) 10.553 21.714 ( 6.009 -0.000 10.443) 12.048 21.847 ( 11.643 -0.000 -7.385) 13.788 22.790 ( -6.492 0.000 -0.015) 6.492 23.109 ( -8.344 0.000 -2.315) 8.660 23.242 ( 0.260 -0.000 0.437) 0.509 23.332 ( -0.194 0.000 1.391) 1.405 23.375 ( -3.763 0.000 2.334) 4.428 23.767 ( -13.461 0.000 -5.705) 14.620 24.000 ( 4.057 -0.000 2.385) 4.706 24.065 ( 0.639 -0.000 7.923) 7.949 24.426 ( 2.180 -0.000 -9.430) 9.679 24.578 ( -0.869 0.000 1.217) 1.495 25.317 ( -9.837 0.000 2.822) 10.234 26.073 ( -7.703 0.000 -2.627) 8.139 26.594 ( 9.544 -0.000 9.038) 13.144 26.909 ( 9.477 -0.000 -9.594) 13.486 ======================= Grid point 152 (69/95) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -59.873 12.283 7.387) 61.564 2.666 ( -56.277 -19.023 -11.784) 60.563 3.852 ( -0.722 -6.336 -44.040) 44.499 4.148 ( -66.441 -35.504 19.074) 77.710 4.941 ( 5.101 -8.109 39.385) 40.533 5.047 ( -25.780 13.733 -11.300) 31.319 5.648 ( -11.221 11.417 -4.160) 16.540 6.281 ( -0.697 17.320 6.205) 18.411 6.446 ( 1.086 12.885 -1.154) 12.982 6.714 ( -2.849 6.985 4.097) 8.584 6.851 ( 2.884 -5.152 5.549) 8.102 7.045 ( 14.085 5.850 -0.958) 15.281 7.273 ( 9.073 15.275 -1.020) 17.796 7.360 ( 15.173 3.847 8.638) 17.879 7.475 ( 1.138 13.552 1.138) 13.647 7.605 ( 5.202 0.898 -6.199) 8.142 7.793 ( -3.144 1.525 1.768) 3.916 7.830 ( -2.914 0.385 2.431) 3.814 8.016 ( -1.247 17.347 2.486) 17.569 8.177 ( -2.364 -8.296 6.481) 10.789 8.347 ( 2.927 -0.161 -2.386) 3.780 8.396 ( -17.347 -12.298 -27.742) 34.954 8.705 ( -0.285 2.840 -14.954) 15.224 8.843 ( 0.394 -9.536 -4.875) 10.717 9.159 ( 0.510 -5.404 1.654) 5.675 9.240 ( -10.311 -16.579 1.526) 19.583 9.357 ( -4.554 -6.101 4.625) 8.908 9.512 ( 1.013 4.914 -0.419) 5.035 9.652 ( -7.664 8.728 4.163) 12.338 9.724 ( -3.855 -10.482 15.229) 18.885 9.836 ( -2.123 -9.569 2.372) 10.085 9.948 ( -4.168 1.210 5.776) 7.225 10.096 ( -12.495 -2.012 -1.371) 12.730 10.194 ( 0.858 -0.720 -2.177) 2.449 10.331 ( -2.407 -7.986 -3.941) 9.226 10.605 ( -3.980 -0.490 6.509) 7.645 10.818 ( -1.596 -4.295 -2.404) 5.174 11.008 ( -2.564 -12.276 1.422) 12.621 11.093 ( -5.999 -4.945 -0.603) 7.798 11.252 ( -3.269 3.683 -0.584) 4.959 11.535 ( -3.475 -4.643 -3.393) 6.719 11.632 ( -12.447 0.783 -3.315) 12.904 11.724 ( -6.575 2.153 -1.922) 7.180 11.839 ( -14.664 -5.506 0.603) 15.675 12.040 ( -7.531 -3.037 3.367) 8.790 12.139 ( -11.093 -5.194 3.438) 12.722 12.225 ( -15.839 -8.133 0.806) 17.824 12.318 ( -7.610 -10.616 4.606) 13.851 12.479 ( -17.780 -13.123 4.408) 22.534 12.602 ( -2.304 -2.051 3.566) 4.715 12.845 ( -1.198 -2.784 -4.949) 5.803 12.927 ( -25.110 -1.167 -8.506) 26.537 13.080 ( -20.994 -0.169 -0.099) 20.995 13.418 ( -7.845 -0.214 -9.830) 12.578 13.647 ( -5.330 5.315 -0.870) 7.577 13.699 ( 8.159 8.671 -5.566) 13.143 13.789 ( 0.975 -2.157 -12.542) 12.763 14.047 ( 6.618 7.125 -3.246) 10.252 14.193 ( 18.079 0.081 17.625) 25.249 14.442 ( 5.235 -3.006 1.556) 6.234 14.695 ( 0.846 -0.610 18.429) 18.459 14.748 ( 10.972 3.120 -0.013) 11.407 14.938 ( 10.754 -4.560 -3.360) 12.154 15.128 ( 7.413 9.776 -0.695) 12.288 15.269 ( 3.284 5.780 0.815) 6.697 15.349 ( 7.700 -3.499 6.060) 10.405 15.429 ( 0.365 2.610 7.384) 7.840 15.551 ( -1.529 -0.128 1.270) 1.991 15.614 ( 12.352 -0.384 -4.086) 13.016 15.696 ( -4.915 8.751 0.633) 10.057 16.147 ( 5.460 -2.630 0.369) 6.072 16.210 ( -8.818 -7.260 -18.913) 22.094 16.280 ( 0.064 4.495 -4.921) 6.665 16.536 ( 14.466 5.124 -0.489) 15.355 16.606 ( 13.797 10.943 -1.603) 17.682 16.841 ( 2.343 1.767 -1.966) 3.532 16.877 ( 10.115 2.079 0.759) 10.354 17.066 ( 10.766 18.194 2.801) 21.325 17.393 ( -2.715 5.879 3.871) 7.544 17.527 ( 2.791 -0.954 5.396) 6.150 17.554 ( 9.752 0.344 1.989) 9.959 17.622 ( -6.271 -5.484 -9.790) 12.855 17.773 ( 4.101 -3.480 -6.570) 8.491 17.999 ( 14.498 6.973 -3.281) 16.418 18.125 ( 1.769 -3.235 -5.214) 6.386 18.253 ( 4.644 -0.426 1.497) 4.898 18.257 ( 0.773 0.283 3.376) 3.474 18.453 ( -2.198 -1.004 7.358) 7.745 18.548 ( -1.721 1.070 -1.352) 2.436 18.652 ( 0.469 -3.521 3.027) 4.667 18.923 ( 9.507 -0.953 5.241) 10.898 19.015 ( -4.827 -4.743 -8.307) 10.715 19.096 ( 7.424 -4.558 1.543) 8.847 19.362 ( -9.030 1.595 -9.290) 13.053 19.416 ( -1.055 2.106 -2.569) 3.485 19.486 ( 12.223 -0.088 0.751) 12.246 19.562 ( -3.103 -6.426 1.491) 7.290 19.856 ( -3.635 0.988 3.149) 4.910 19.996 ( 3.945 1.442 -0.023) 4.200 20.030 ( 1.346 0.562 -0.396) 1.512 20.264 ( -0.451 1.019 8.277) 8.351 20.462 ( 3.393 2.909 4.756) 6.527 21.007 ( -7.834 5.562 4.104) 10.448 21.254 ( -5.284 2.362 -3.188) 6.608 21.743 ( 11.898 8.440 1.457) 14.660 22.190 ( 12.791 -16.631 -0.924) 21.001 22.722 ( -3.716 -0.448 0.389) 3.763 23.006 ( -4.709 -1.536 -5.174) 7.163 23.217 ( -3.381 3.762 2.783) 5.773 23.306 ( 0.482 -0.336 3.045) 3.101 23.372 ( -1.974 0.560 1.613) 2.610 23.614 ( -13.969 -8.123 -1.708) 16.249 23.978 ( -0.992 5.962 -0.570) 6.070 24.095 ( -0.748 -1.297 0.266) 1.521 24.367 ( 0.576 3.486 -9.528) 10.162 24.614 ( -1.494 -5.904 3.626) 7.087 25.218 ( -7.196 -0.558 6.686) 9.838 25.980 ( -7.158 -3.677 -2.571) 8.448 26.730 ( 7.941 4.161 4.575) 10.065 26.985 ( 7.443 -0.172 -8.277) 11.133 ======================= Grid point 161 (70/95) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -61.111 0.000 -13.040) 62.487 1.903 ( -56.351 0.000 23.102) 60.903 2.905 ( -77.189 0.000 49.042) 91.451 3.675 ( 12.480 -0.000 -51.713) 53.198 4.662 ( -26.456 0.000 -33.727) 42.866 5.280 ( 18.544 -0.000 37.169) 41.538 5.689 ( -3.972 0.000 18.438) 18.861 6.335 ( -9.662 0.000 5.256) 11.000 6.366 ( -7.930 0.000 -2.647) 8.360 6.618 ( -22.787 0.000 -24.242) 33.271 6.851 ( 3.458 -0.000 4.682) 5.821 7.214 ( 7.008 -0.000 -3.667) 7.910 7.480 ( 5.923 -0.000 2.811) 6.556 7.504 ( 0.814 -0.000 -4.791) 4.860 7.583 ( -4.862 0.000 -6.921) 8.458 7.717 ( 9.181 -0.000 4.053) 10.036 7.750 ( -1.827 0.000 0.907) 2.040 7.892 ( -10.145 0.000 -14.948) 18.065 8.066 ( 29.906 -0.000 9.247) 31.303 8.120 ( 1.346 -0.000 -7.086) 7.213 8.192 ( 7.804 -0.000 2.355) 8.152 8.567 ( 4.425 -0.000 3.816) 5.843 8.694 ( 7.507 -0.000 -7.202) 10.403 8.827 ( 8.832 -0.000 3.042) 9.341 9.044 ( 1.767 -0.000 -0.957) 2.009 9.224 ( 6.823 -0.000 11.416) 13.299 9.235 ( -1.658 0.000 -1.416) 2.181 9.504 ( -11.347 0.000 -8.327) 14.074 9.612 ( 0.223 -0.000 7.536) 7.540 9.719 ( 1.121 -0.000 14.413) 14.456 9.776 ( 5.456 -0.000 -1.729) 5.723 9.921 ( -10.890 0.000 11.871) 16.110 10.048 ( -0.307 0.000 4.405) 4.416 10.193 ( 5.630 -0.000 -6.283) 8.436 10.320 ( 4.114 -0.000 4.944) 6.432 10.616 ( -3.785 0.000 8.988) 9.753 10.689 ( -11.042 0.000 -1.680) 11.169 10.828 ( -7.083 0.000 0.144) 7.084 10.932 ( -11.352 0.000 1.735) 11.484 11.076 ( -26.783 0.000 -2.144) 26.869 11.344 ( -11.001 0.000 -2.364) 11.252 11.527 ( -8.845 0.000 2.041) 9.077 11.581 ( -4.445 0.000 -1.764) 4.783 11.667 ( -6.718 0.000 2.682) 7.233 11.912 ( -11.645 0.000 0.788) 11.672 11.917 ( -19.445 0.000 -6.058) 20.367 12.004 ( -5.706 0.000 -5.496) 7.922 12.074 ( -16.688 0.000 4.179) 17.203 12.166 ( -6.572 0.000 5.774) 8.748 12.419 ( -24.321 0.000 -9.522) 26.118 12.613 ( 0.215 -0.000 1.519) 1.534 12.797 ( 0.017 -0.000 -9.080) 9.080 12.869 ( -10.894 0.000 -1.982) 11.073 13.235 ( -10.218 0.000 -15.016) 18.163 13.602 ( -6.715 0.000 3.292) 7.478 13.741 ( 5.133 -0.000 -19.720) 20.378 13.868 ( 6.740 -0.000 2.164) 7.079 14.207 ( 9.696 -0.000 -2.719) 10.070 14.467 ( 6.940 -0.000 2.614) 7.416 14.598 ( 15.592 -0.000 10.352) 18.715 14.781 ( -0.352 0.000 19.978) 19.981 14.857 ( 3.566 -0.000 0.122) 3.568 15.136 ( 17.213 -0.000 8.733) 19.302 15.271 ( 2.489 -0.000 -13.519) 13.746 15.324 ( 3.475 -0.000 0.792) 3.565 15.495 ( 1.934 -0.000 5.974) 6.279 15.534 ( 7.984 -0.000 14.466) 16.523 15.577 ( 2.690 -0.000 8.642) 9.051 15.670 ( -8.720 0.000 -2.076) 8.964 15.739 ( 10.093 -0.000 -1.098) 10.152 15.865 ( -11.848 0.000 -18.137) 21.664 16.121 ( -4.601 0.000 8.366) 9.548 16.385 ( 9.683 -0.000 -6.018) 11.400 16.670 ( 2.008 -0.000 -1.938) 2.790 16.860 ( 12.548 -0.000 -3.152) 12.938 16.860 ( 1.371 -0.000 0.337) 1.412 17.049 ( 11.424 -0.000 -2.046) 11.606 17.197 ( -16.905 0.000 -11.822) 20.629 17.432 ( 2.962 -0.000 -4.882) 5.710 17.502 ( 7.971 -0.000 -4.522) 9.165 17.529 ( -4.911 0.000 16.257) 16.982 17.760 ( 15.504 -0.000 6.590) 16.846 17.816 ( 7.438 -0.000 -3.053) 8.040 18.016 ( -4.756 0.000 -12.356) 13.239 18.226 ( 7.506 -0.000 8.537) 11.367 18.316 ( 8.236 -0.000 0.277) 8.241 18.367 ( 0.881 -0.000 -8.032) 8.080 18.438 ( -4.203 0.000 8.003) 9.040 18.535 ( 6.140 -0.000 2.195) 6.521 18.718 ( -0.191 0.000 -0.054) 0.199 18.805 ( -10.179 0.000 -15.861) 18.846 19.029 ( -0.498 0.000 -0.581) 0.765 19.039 ( -6.892 0.000 -1.454) 7.044 19.213 ( 0.726 -0.000 -9.327) 9.355 19.422 ( -6.263 0.000 0.370) 6.274 19.513 ( 3.021 -0.000 3.599) 4.699 19.700 ( 14.328 -0.000 4.590) 15.045 19.850 ( 4.637 -0.000 2.849) 5.442 20.048 ( 1.222 -0.000 0.025) 1.222 20.076 ( 4.855 -0.000 -3.153) 5.789 20.314 ( 0.329 -0.000 7.823) 7.830 20.480 ( -3.710 0.000 -0.453) 3.738 20.991 ( -8.152 0.000 15.182) 17.232 21.188 ( -0.391 0.000 -12.076) 12.082 22.110 ( 12.098 -0.000 -13.066) 17.807 22.192 ( 19.675 -0.000 21.287) 28.987 22.696 ( -0.631 0.000 3.558) 3.613 22.922 ( -1.787 0.000 -5.377) 5.666 23.230 ( -2.561 0.000 2.599) 3.649 23.281 ( -5.462 0.000 2.362) 5.951 23.368 ( -9.155 0.000 -3.315) 9.737 23.390 ( 0.559 -0.000 6.437) 6.462 23.963 ( -6.800 0.000 -8.399) 10.807 24.028 ( -1.839 0.000 -3.960) 4.367 24.410 ( 3.431 -0.000 -4.532) 5.684 24.542 ( -2.307 0.000 2.663) 3.523 25.103 ( -11.571 0.000 8.487) 14.349 25.848 ( -5.643 0.000 -3.413) 6.595 26.906 ( 5.699 -0.000 8.753) 10.445 26.993 ( 3.056 -0.000 -12.374) 12.746 ======================= Grid point 162 (71/95) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -19.404 0.000 3.937) 19.799 2.538 ( 19.404 -0.000 -3.937) 19.799 2.712 ( -1.450 0.000 -3.731) 4.003 2.712 ( 1.450 -0.000 3.731) 4.003 3.660 ( -17.064 0.000 -79.924) 81.726 3.660 ( 17.064 -0.000 79.924) 81.726 6.100 ( -0.086 0.000 -4.793) 4.794 6.100 ( 0.086 -0.000 4.793) 4.794 6.481 ( -9.306 0.000 -3.116) 9.814 6.481 ( 9.306 -0.000 3.116) 9.814 6.783 ( 4.878 -0.000 -6.790) 8.361 6.783 ( -4.878 0.000 6.790) 8.361 7.499 ( -5.755 0.000 -0.524) 5.779 7.499 ( 5.755 -0.000 0.524) 5.779 7.762 ( -2.639 0.000 0.123) 2.642 7.762 ( 2.639 -0.000 -0.123) 2.642 7.965 ( 10.039 -0.000 -3.589) 10.661 7.965 ( -10.039 0.000 3.589) 10.661 8.195 ( -14.959 0.000 -4.649) 15.664 8.195 ( 14.959 -0.000 4.649) 15.664 8.478 ( -13.334 0.000 -6.193) 14.702 8.478 ( 13.334 -0.000 6.193) 14.702 9.085 ( -14.579 0.000 -5.970) 15.754 9.085 ( 14.579 -0.000 5.970) 15.754 9.238 ( -18.760 0.000 -5.168) 19.459 9.238 ( 18.760 -0.000 5.168) 19.459 9.491 ( -8.543 0.000 -6.467) 10.715 9.491 ( 8.543 -0.000 6.467) 10.715 9.817 ( 3.792 -0.000 -3.842) 5.398 9.817 ( -3.792 0.000 3.842) 5.398 9.946 ( -13.599 0.000 -7.345) 15.456 9.946 ( 13.599 -0.000 7.345) 15.456 10.147 ( -24.198 0.000 -0.518) 24.204 10.147 ( 24.198 -0.000 0.518) 24.204 10.318 ( 0.263 -0.000 -11.146) 11.149 10.318 ( -0.263 0.000 11.146) 11.149 10.514 ( 5.418 -0.000 -6.005) 8.088 10.514 ( -5.418 0.000 6.005) 8.088 10.720 ( 3.438 -0.000 -7.629) 8.367 10.720 ( -3.438 0.000 7.629) 8.367 11.134 ( -5.048 0.000 -20.994) 21.592 11.134 ( 5.048 -0.000 20.994) 21.592 11.482 ( 3.597 -0.000 -1.553) 3.918 11.482 ( -3.597 0.000 1.553) 3.918 11.665 ( -0.574 0.000 -5.198) 5.229 11.665 ( 0.574 -0.000 5.198) 5.229 11.766 ( -2.020 0.000 -2.522) 3.231 11.766 ( 2.020 -0.000 2.522) 3.231 12.176 ( 3.934 -0.000 -11.617) 12.265 12.176 ( -3.934 0.000 11.617) 12.265 12.488 ( 2.352 -0.000 -13.377) 13.583 12.488 ( -2.352 0.000 13.377) 13.583 12.922 ( 2.973 -0.000 -7.477) 8.047 12.922 ( -2.973 0.000 7.477) 8.047 13.483 ( 6.182 -0.000 -3.871) 7.294 13.483 ( -6.182 0.000 3.871) 7.294 14.188 ( -10.520 0.000 -9.155) 13.946 14.188 ( 10.520 -0.000 9.155) 13.946 14.709 ( -10.191 0.000 -7.762) 12.810 14.709 ( 10.191 -0.000 7.762) 12.810 15.128 ( -11.567 0.000 0.996) 11.610 15.128 ( 11.567 -0.000 -0.996) 11.610 15.211 ( 20.826 -0.000 -12.517) 24.298 15.211 ( -20.826 0.000 12.517) 24.298 15.416 ( -4.029 0.000 -2.701) 4.850 15.416 ( 4.029 -0.000 2.701) 4.850 15.559 ( 2.584 -0.000 -4.674) 5.340 15.559 ( -2.584 0.000 4.674) 5.340 15.873 ( 11.867 -0.000 -8.256) 14.456 15.873 ( -11.867 0.000 8.256) 14.456 16.221 ( -1.678 0.000 -22.157) 22.221 16.221 ( 1.678 -0.000 22.157) 22.221 16.722 ( 1.733 -0.000 -12.456) 12.576 16.722 ( -1.733 0.000 12.456) 12.576 16.956 ( -6.163 0.000 -0.732) 6.207 16.956 ( 6.163 -0.000 0.732) 6.207 17.221 ( -13.464 0.000 0.506) 13.473 17.221 ( 13.464 -0.000 -0.506) 13.473 17.466 ( 0.016 -0.000 -5.674) 5.674 17.466 ( -0.016 0.000 5.674) 5.674 17.662 ( 10.717 -0.000 -5.011) 11.831 17.662 ( -10.717 0.000 5.011) 11.831 17.863 ( -11.729 0.000 -5.526) 12.966 17.863 ( 11.729 -0.000 5.526) 12.966 18.069 ( -7.062 0.000 -6.246) 9.428 18.069 ( 7.062 -0.000 6.246) 9.428 18.308 ( -10.241 0.000 2.505) 10.543 18.308 ( 10.241 -0.000 -2.505) 10.543 18.652 ( -4.423 0.000 -3.671) 5.748 18.652 ( 4.423 -0.000 3.671) 5.748 18.797 ( 3.908 -0.000 -3.811) 5.459 18.797 ( -3.908 0.000 3.811) 5.459 19.019 ( -10.034 0.000 -4.127) 10.849 19.019 ( 10.034 -0.000 4.127) 10.849 19.624 ( -5.157 0.000 -1.905) 5.498 19.624 ( 5.157 -0.000 1.905) 5.498 19.966 ( 1.214 -0.000 -1.465) 1.903 19.966 ( -1.214 0.000 1.465) 1.903 20.136 ( 2.887 -0.000 -3.817) 4.786 20.136 ( -2.887 0.000 3.817) 4.786 20.392 ( -4.458 0.000 1.223) 4.623 20.392 ( 4.458 -0.000 -1.223) 4.623 21.047 ( 13.143 -0.000 -9.753) 16.366 21.047 ( -13.143 0.000 9.753) 16.366 22.060 ( 21.884 -0.000 -8.673) 23.540 22.060 ( -21.884 0.000 8.673) 23.540 22.970 ( 3.225 -0.000 -3.603) 4.836 22.970 ( -3.225 0.000 3.603) 4.836 23.163 ( -5.158 0.000 -0.727) 5.209 23.163 ( 5.158 -0.000 0.727) 5.209 23.254 ( -0.732 0.000 -0.078) 0.736 23.254 ( 0.732 -0.000 0.078) 0.736 23.731 ( -2.873 0.000 -1.524) 3.252 23.731 ( 2.873 -0.000 1.524) 3.252 24.587 ( 1.069 -0.000 -1.179) 1.592 24.587 ( -1.069 0.000 1.179) 1.592 25.469 ( -5.333 0.000 -12.695) 13.770 25.469 ( 5.333 -0.000 12.695) 13.770 27.163 ( 10.262 -0.000 -7.921) 12.964 27.163 ( -10.262 0.000 7.921) 12.964 ======================= Grid point 164 (72/95) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 7.796 13.382 -55.664) 57.779 2.473 ( -11.749 -11.930 0.387) 16.749 2.641 ( -3.005 -11.123 0.980) 11.563 3.001 ( 16.186 2.515 52.782) 55.266 3.953 ( 36.745 -43.508 -61.797) 84.036 4.831 ( 43.403 -37.670 67.484) 88.639 6.077 ( -2.612 0.675 -7.289) 7.772 6.208 ( 1.258 -2.844 -9.928) 10.404 6.293 ( -3.088 1.029 -7.082) 7.795 6.531 ( -0.644 -4.353 -9.289) 10.279 6.751 ( 0.259 8.035 10.513) 13.235 6.907 ( 6.859 -2.349 15.152) 16.797 7.366 ( -6.028 6.975 0.313) 9.224 7.482 ( -1.443 7.359 1.484) 7.645 7.618 ( -9.214 9.420 0.472) 13.186 7.768 ( -11.118 4.117 -0.513) 11.867 7.787 ( -5.169 10.285 -2.241) 11.727 7.926 ( -19.573 3.666 1.975) 20.011 8.028 ( 4.743 -7.981 -5.839) 10.968 8.186 ( -10.697 14.789 -0.436) 18.258 8.408 ( 9.459 -0.378 -0.623) 9.487 8.642 ( 2.894 -0.983 4.626) 5.545 8.785 ( -13.934 2.329 -6.229) 15.439 8.925 ( -7.441 4.133 2.667) 8.920 9.164 ( -1.854 -1.927 -4.686) 5.395 9.352 ( -6.398 1.324 -5.209) 8.356 9.416 ( -1.900 -0.599 8.499) 8.729 9.582 ( -3.543 -10.407 6.622) 12.834 9.677 ( 7.458 9.072 2.651) 12.040 9.698 ( -0.249 2.471 -9.045) 9.380 9.819 ( -6.168 6.729 -6.857) 11.417 9.991 ( 0.036 0.322 4.722) 4.734 10.145 ( -0.787 6.347 -0.140) 6.397 10.306 ( 0.568 -6.653 -1.715) 6.894 10.444 ( 3.111 0.518 5.185) 6.069 10.536 ( 14.638 -9.254 -0.297) 17.321 10.602 ( 15.113 -13.558 -2.060) 20.407 10.705 ( 11.603 -7.545 4.230) 14.472 10.824 ( 10.915 -4.658 -2.615) 12.152 10.920 ( 14.896 -5.673 -7.631) 17.672 11.096 ( 2.553 -6.367 -10.878) 12.861 11.350 ( 8.102 -2.837 18.200) 20.123 11.476 ( 2.801 -0.525 -5.349) 6.061 11.626 ( 13.926 -8.008 0.473) 16.071 11.759 ( 1.548 -8.562 0.172) 8.703 11.830 ( 2.911 -15.509 1.793) 15.881 11.846 ( 5.253 -13.375 -2.430) 14.573 11.982 ( 11.542 -12.913 3.045) 17.585 12.220 ( 1.698 -5.999 0.855) 6.293 12.286 ( 4.244 -9.614 -1.345) 10.595 12.525 ( 3.733 -4.828 -4.672) 7.686 12.570 ( 4.191 -1.521 11.328) 12.174 12.892 ( 3.090 4.027 -1.790) 5.382 12.928 ( 5.397 1.875 -3.127) 6.513 13.414 ( -7.232 0.617 7.521) 10.452 13.563 ( 4.437 -1.914 -0.150) 4.835 13.977 ( -12.274 3.646 -1.793) 12.929 14.349 ( 8.650 3.502 13.208) 16.173 14.491 ( -8.921 4.580 -8.670) 13.256 14.767 ( -6.164 3.679 0.603) 7.204 14.843 ( -12.329 -0.812 -6.277) 13.859 15.056 ( -2.377 11.597 3.939) 12.476 15.225 ( 0.450 5.796 -8.901) 10.631 15.274 ( -1.650 -0.154 10.690) 10.818 15.399 ( 2.849 3.236 -7.299) 8.477 15.438 ( 6.463 1.753 1.207) 6.805 15.565 ( -2.876 0.691 0.138) 2.961 15.589 ( -8.542 5.445 1.684) 10.269 15.660 ( -5.200 -1.817 -0.341) 5.519 15.931 ( 1.688 3.603 -8.556) 9.436 16.113 ( -5.263 -6.235 -6.507) 10.436 16.353 ( 4.823 -0.322 15.549) 16.283 16.521 ( -6.035 13.736 2.045) 15.142 16.673 ( -6.403 -3.329 -15.342) 16.954 16.787 ( -13.355 8.228 -7.075) 17.208 16.840 ( -6.303 -2.447 0.628) 6.791 17.146 ( 1.738 7.701 3.637) 8.692 17.207 ( -6.334 12.990 -11.872) 18.703 17.288 ( -3.082 0.738 9.818) 10.316 17.577 ( 1.633 5.027 3.985) 6.619 17.622 ( 5.928 -7.874 -9.042) 13.376 17.752 ( 7.357 2.528 -0.847) 7.825 17.839 ( 1.202 9.275 2.930) 9.801 17.931 ( -3.648 1.268 -1.691) 4.216 18.020 ( -4.918 1.909 2.741) 5.945 18.183 ( 8.318 3.457 8.710) 12.530 18.316 ( 5.416 -1.523 3.029) 6.389 18.419 ( 5.801 -4.461 6.548) 9.820 18.626 ( -2.594 -6.295 -2.509) 7.256 18.644 ( -8.243 -7.638 2.615) 11.537 18.806 ( -4.068 -4.251 -7.360) 9.423 18.859 ( 4.299 -2.844 0.415) 5.171 18.985 ( 4.550 -2.457 -0.238) 5.176 19.190 ( 6.114 -3.151 0.773) 6.921 19.500 ( -4.814 4.230 -4.703) 7.948 19.630 ( -0.292 2.746 -1.753) 3.271 19.822 ( -8.297 8.877 1.599) 12.255 19.959 ( -0.545 2.311 1.447) 2.780 20.061 ( -3.010 1.659 0.000) 3.437 20.102 ( -1.329 2.741 -2.396) 3.876 20.391 ( -2.427 -1.909 3.166) 4.422 20.472 ( 5.000 -1.982 -5.580) 7.751 20.935 ( -9.635 -1.133 9.712) 13.727 21.202 ( 11.722 -1.903 -7.625) 14.112 21.868 ( -15.052 -0.683 13.450) 20.197 22.276 ( 11.143 4.226 2.669) 12.212 22.841 ( -5.317 6.116 -2.748) 8.557 22.931 ( -0.415 -1.156 -1.003) 1.586 23.146 ( -0.757 -0.360 0.048) 0.839 23.261 ( 2.590 1.538 0.034) 3.013 23.315 ( 5.874 -9.794 -0.278) 11.424 23.372 ( 6.919 -4.849 -2.629) 8.849 23.716 ( -1.234 0.336 5.206) 5.361 23.820 ( 4.480 -2.057 4.450) 6.641 24.518 ( -4.106 3.092 -2.533) 5.730 24.634 ( 3.949 -3.182 -1.723) 5.356 25.408 ( -0.581 -5.514 -12.915) 14.055 25.624 ( 5.027 -4.257 9.451) 11.520 26.973 ( -12.896 5.432 2.067) 14.145 27.186 ( 2.863 3.209 -9.018) 9.991 ======================= Grid point 165 (73/95) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 31.771 -16.479 -18.390) 40.238 2.678 ( 11.862 -22.205 -27.046) 36.949 2.952 ( 1.758 -26.940 25.222) 36.946 3.483 ( 23.269 -1.090 43.527) 49.368 4.929 ( 38.569 -41.353 -41.316) 70.033 5.809 ( -6.489 12.606 -14.644) 20.383 5.943 ( -7.325 -1.152 -19.161) 20.546 6.227 ( 21.041 -20.853 27.913) 40.703 6.328 ( 0.274 -2.496 2.916) 3.848 6.532 ( -7.324 0.382 -0.901) 7.389 6.781 ( 10.132 -6.283 11.527) 16.583 6.945 ( -12.130 15.715 11.228) 22.807 7.097 ( -11.491 14.617 -0.804) 18.610 7.317 ( -5.277 2.689 0.362) 5.934 7.390 ( -2.097 10.592 10.071) 14.765 7.466 ( -2.043 -1.128 10.032) 10.300 7.542 ( -8.708 8.855 -0.681) 12.438 7.758 ( -6.976 -0.194 5.729) 9.029 7.773 ( -9.255 16.412 0.753) 18.856 8.074 ( -8.666 4.739 -4.186) 10.727 8.393 ( 1.903 5.905 -9.428) 11.286 8.565 ( -5.936 -1.373 1.061) 6.185 8.657 ( -6.302 -6.760 -7.840) 12.119 9.050 ( 5.036 -6.475 0.369) 8.211 9.122 ( -3.847 7.350 -7.126) 10.936 9.371 ( -4.418 0.067 2.750) 5.205 9.490 ( 3.152 -14.709 3.845) 15.527 9.538 ( 10.539 -4.680 -7.168) 13.578 9.643 ( -3.689 0.064 -0.175) 3.693 9.754 ( 4.934 -1.565 -6.274) 8.133 9.835 ( 12.521 -3.272 6.427) 14.450 10.045 ( 0.351 -0.415 -1.669) 1.756 10.137 ( 5.636 1.514 5.498) 8.018 10.388 ( 2.760 -4.294 -4.023) 6.499 10.550 ( 4.126 -8.453 -0.666) 9.430 10.657 ( 9.092 -1.857 -5.690) 10.886 10.932 ( 5.275 -13.315 -4.786) 15.101 10.961 ( 5.486 -4.130 -11.906) 13.744 11.133 ( 11.496 -7.412 1.685) 13.782 11.196 ( 23.097 -0.123 6.626) 24.029 11.246 ( 1.415 -15.246 0.464) 15.319 11.522 ( 5.626 -2.736 -0.625) 6.288 11.551 ( 1.793 -2.972 3.348) 4.822 11.862 ( 6.668 -3.674 -4.185) 8.688 11.993 ( 11.941 -11.862 0.191) 16.832 12.112 ( 5.043 -15.070 2.300) 16.057 12.244 ( 9.044 -10.700 3.058) 14.340 12.358 ( 14.705 -17.808 1.127) 23.122 12.466 ( 8.390 -11.054 1.084) 13.920 12.475 ( 4.629 -13.082 7.019) 15.551 12.683 ( 4.426 -8.905 6.904) 12.106 12.741 ( 10.811 -5.808 0.182) 12.274 12.995 ( 15.989 -2.214 -3.534) 16.524 13.061 ( 11.365 -5.264 1.820) 12.656 13.335 ( -6.997 0.103 10.319) 12.468 13.631 ( 0.129 -1.893 -1.405) 2.361 13.756 ( -10.484 2.834 0.242) 10.863 14.236 ( -9.532 5.926 -8.963) 14.363 14.501 ( 9.316 4.902 16.911) 19.920 14.558 ( -11.198 2.117 -10.140) 15.254 14.702 ( -7.125 2.261 0.394) 7.486 14.842 ( -13.162 15.447 -5.635) 21.062 14.936 ( -6.200 10.845 -2.919) 12.829 15.151 ( -12.170 14.682 4.460) 19.584 15.334 ( 1.128 0.582 -8.935) 9.025 15.371 ( -1.638 1.753 14.120) 14.323 15.492 ( 2.719 5.370 -0.514) 6.042 15.516 ( -1.403 2.083 -12.162) 12.418 15.618 ( -1.441 1.887 -0.932) 2.550 15.916 ( 0.521 -4.308 -2.853) 5.193 16.124 ( -10.078 -3.825 3.945) 11.478 16.311 ( 1.173 11.149 11.609) 16.138 16.420 ( -12.954 6.039 -3.192) 14.644 16.491 ( -16.045 -1.717 -18.325) 24.417 16.539 ( 2.631 3.100 12.716) 13.350 16.767 ( -6.620 1.084 -3.766) 7.693 16.905 ( -1.021 10.345 -8.587) 13.483 17.173 ( 10.048 6.128 -0.710) 11.790 17.234 ( -3.397 3.002 1.138) 4.674 17.390 ( -7.808 9.546 -1.929) 12.482 17.568 ( -7.329 17.797 2.079) 19.359 17.751 ( -0.306 2.471 1.716) 3.024 17.841 ( 3.222 4.555 -2.998) 6.334 17.894 ( 0.690 -3.010 -0.697) 3.165 17.915 ( -0.696 -1.568 -0.469) 1.779 18.156 ( 0.188 5.887 3.219) 6.712 18.353 ( 1.144 4.207 -0.392) 4.377 18.578 ( 3.972 0.192 3.724) 5.448 18.658 ( -1.870 -6.624 1.957) 7.155 18.684 ( -8.342 -8.589 -3.481) 12.469 18.907 ( 3.319 -8.294 11.217) 14.340 18.997 ( 5.689 -7.016 0.557) 9.050 19.095 ( 5.473 0.803 0.677) 5.573 19.247 ( -4.014 -5.682 -0.595) 6.982 19.367 ( 2.354 7.721 -4.211) 9.105 19.610 ( -7.823 3.908 0.371) 8.752 19.619 ( 3.074 0.048 -0.849) 3.190 19.893 ( -4.092 1.010 0.776) 4.286 19.981 ( -3.174 5.085 -0.022) 5.995 20.050 ( -0.967 1.389 -1.987) 2.610 20.379 ( -2.009 0.591 2.999) 3.658 20.485 ( -1.245 1.846 -4.379) 4.913 20.920 ( -1.418 -2.575 4.869) 5.688 21.333 ( 7.289 -1.392 -9.683) 12.199 21.665 ( -12.051 7.054 7.962) 16.074 22.372 ( 4.033 -2.806 5.144) 7.113 22.677 ( -4.090 4.872 -2.157) 6.717 23.045 ( 4.053 -8.440 -1.193) 9.438 23.141 ( 0.867 0.908 0.257) 1.282 23.279 ( 3.116 1.685 -0.012) 3.543 23.452 ( 0.735 -3.441 -3.542) 4.992 23.528 ( 3.943 -5.858 -2.064) 7.357 23.726 ( 1.184 0.795 6.839) 6.986 23.935 ( 4.176 -2.134 7.247) 8.633 24.440 ( -1.925 -1.715 -3.765) 4.563 24.760 ( 5.685 -5.660 -2.554) 8.419 25.406 ( -1.177 0.384 -7.677) 7.776 25.825 ( 6.673 -7.676 6.120) 11.870 26.726 ( -9.618 6.961 0.918) 11.908 27.102 ( -2.079 4.321 -5.836) 7.553 ======================= Grid point 166 (74/95) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 30.058 -20.982 -13.216) 38.967 3.214 ( 23.875 -29.857 2.255) 38.295 3.623 ( 17.695 -34.646 16.825) 42.386 4.054 ( 26.006 -7.127 30.363) 40.608 5.148 ( -10.759 14.204 -16.943) 24.588 5.346 ( -24.739 16.998 -0.894) 30.029 5.961 ( -7.862 6.909 -12.804) 16.537 6.143 ( -15.573 2.690 -7.545) 17.512 6.269 ( 0.821 2.031 -18.136) 18.267 6.478 ( -3.956 13.112 -5.775) 14.864 6.580 ( -1.275 -8.626 0.651) 8.744 6.752 ( -9.955 8.743 3.371) 13.672 7.093 ( -0.768 -4.692 -0.674) 4.802 7.183 ( -9.277 10.696 -4.626) 14.896 7.317 ( -6.027 6.300 -0.707) 8.747 7.422 ( 8.842 6.710 17.134) 20.415 7.530 ( 3.497 -3.528 0.022) 4.968 7.703 ( 2.678 1.591 1.380) 3.407 7.879 ( -0.158 -1.584 -0.874) 1.816 8.195 ( 25.808 -26.712 38.864) 53.759 8.401 ( 3.377 -2.557 -4.698) 6.326 8.478 ( -2.705 2.143 0.624) 3.507 8.715 ( 0.389 -10.280 -5.088) 11.477 8.867 ( -6.933 3.825 -10.382) 13.057 9.118 ( -6.576 3.316 1.037) 7.437 9.219 ( -1.009 2.047 1.112) 2.538 9.604 ( -4.060 -6.909 -1.570) 8.166 9.727 ( 8.703 1.754 -1.557) 9.013 9.771 ( 6.118 3.391 -3.157) 7.675 9.892 ( 3.842 -7.805 -4.043) 9.593 9.973 ( 2.489 -1.328 2.476) 3.753 10.215 ( 7.135 -9.471 3.719) 12.427 10.264 ( 12.497 -2.120 4.735) 13.531 10.456 ( 2.227 -1.533 -0.618) 2.773 10.668 ( 0.995 -5.515 -8.373) 10.076 10.883 ( 10.114 -4.857 1.746) 11.355 11.085 ( 4.346 -11.425 -8.453) 14.861 11.198 ( 9.801 -12.813 -3.400) 16.486 11.257 ( 3.866 -4.394 -1.585) 6.063 11.421 ( -2.669 -7.405 2.569) 8.280 11.527 ( 16.552 0.685 7.291) 18.099 11.598 ( 1.497 -7.600 -1.178) 7.835 11.671 ( 5.745 -9.289 -5.519) 12.237 12.055 ( 8.789 -9.715 -1.158) 13.151 12.251 ( 4.246 -5.947 7.261) 10.301 12.404 ( 9.480 -7.394 -2.181) 12.219 12.467 ( 10.806 -4.142 -0.386) 11.580 12.537 ( 2.065 -0.827 0.599) 2.304 12.776 ( 8.052 -10.586 1.491) 13.383 12.863 ( 14.299 -8.484 6.079) 17.702 12.916 ( 5.339 -6.184 2.698) 8.604 13.058 ( 9.937 -6.911 -0.370) 12.110 13.219 ( 10.627 -8.024 6.120) 14.655 13.380 ( 10.481 -14.773 3.790) 18.505 13.410 ( 0.002 -8.527 0.846) 8.569 13.464 ( -10.738 10.170 -9.097) 17.363 13.694 ( -0.823 -2.880 0.300) 3.010 13.971 ( -4.673 1.856 -8.757) 10.098 14.276 ( -14.079 7.679 -4.198) 16.578 14.386 ( -8.222 12.072 2.811) 14.874 14.555 ( -7.357 3.119 -1.536) 8.137 14.672 ( 3.634 8.515 14.213) 16.963 14.721 ( -2.957 1.160 1.617) 3.564 14.993 ( -0.848 2.847 1.007) 3.136 15.250 ( -5.248 6.694 -11.144) 14.019 15.318 ( -5.675 5.976 5.690) 10.015 15.338 ( -1.256 2.993 -2.317) 3.988 15.525 ( -1.362 3.416 4.225) 5.601 15.571 ( 0.386 -1.512 -2.001) 2.537 15.826 ( -6.282 12.091 2.204) 13.803 15.998 ( -9.586 11.186 -6.591) 16.139 16.111 ( -9.589 2.561 -13.285) 16.583 16.246 ( -4.798 4.131 15.343) 16.598 16.262 ( -8.484 -3.086 -0.581) 9.046 16.486 ( -9.864 5.918 5.802) 12.883 16.631 ( -6.757 3.510 -2.861) 8.134 16.735 ( -1.240 4.031 -3.035) 5.196 17.022 ( -4.334 5.385 -9.988) 12.147 17.131 ( -4.398 13.098 0.540) 13.827 17.239 ( -0.461 11.471 7.627) 13.783 17.419 ( 12.748 6.357 -3.199) 14.599 17.572 ( -7.171 1.816 -4.032) 8.425 17.806 ( 4.760 5.065 -1.627) 7.139 17.940 ( -0.223 -0.955 2.311) 2.510 18.013 ( 3.094 -2.998 -3.328) 5.443 18.181 ( -2.010 -8.880 5.338) 10.555 18.279 ( -5.012 0.856 2.787) 5.798 18.578 ( 3.481 4.208 -4.393) 7.009 18.698 ( -3.404 -5.940 -1.000) 6.919 18.747 ( 3.267 -3.126 2.375) 5.107 19.008 ( -2.319 -1.161 -0.141) 2.597 19.111 ( 2.431 5.358 0.852) 5.945 19.189 ( 3.492 -7.549 5.277) 9.850 19.294 ( -0.857 -4.112 2.937) 5.125 19.339 ( 2.677 1.219 0.258) 2.953 19.492 ( -5.856 -0.959 -0.257) 5.939 19.674 ( 4.099 0.015 0.004) 4.099 19.860 ( -5.802 -0.266 0.506) 5.830 19.882 ( 1.873 1.683 2.000) 3.216 20.000 ( -0.515 1.913 -2.701) 3.350 20.328 ( -4.848 2.999 1.572) 5.913 20.377 ( -2.802 4.532 -2.099) 5.727 20.953 ( -0.227 -0.944 -1.779) 2.027 21.273 ( -0.675 6.821 -8.721) 11.092 21.585 ( -1.521 -3.007 6.308) 7.152 22.443 ( -0.125 -0.969 -2.293) 2.493 22.635 ( 1.366 -1.092 4.984) 5.282 23.126 ( -2.624 -3.011 -0.538) 4.030 23.210 ( 5.406 -3.871 -5.122) 8.394 23.299 ( 3.492 2.195 -0.154) 4.127 23.457 ( -2.497 -3.483 -4.860) 6.480 23.575 ( -1.185 2.875 9.103) 9.620 23.819 ( 6.104 -2.463 3.000) 7.234 24.038 ( 2.485 -1.023 4.603) 5.330 24.493 ( 1.640 -8.313 -3.372) 9.119 24.899 ( 4.181 -4.816 -2.662) 6.911 25.283 ( -4.532 7.064 -3.713) 9.178 26.046 ( 6.195 -6.669 3.555) 9.772 26.546 ( -4.818 4.210 1.059) 6.485 26.968 ( -4.233 5.120 -3.430) 7.477 ======================= Grid point 167 (75/95) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.650 ( 21.341 -21.371 -9.314) 31.606 3.977 ( 23.754 -21.759 10.588) 33.909 4.460 ( 10.825 -12.747 4.555) 17.332 4.499 ( 5.008 -3.466 9.866) 11.595 4.710 ( -12.953 15.311 6.476) 21.074 4.808 ( 2.721 -2.242 5.803) 6.789 5.362 ( -24.947 19.534 -20.693) 37.844 5.884 ( -17.172 15.579 -1.286) 23.221 5.978 ( -4.197 0.872 -4.964) 6.559 6.213 ( -1.508 8.426 -7.478) 11.366 6.415 ( -13.183 6.519 4.289) 15.319 6.693 ( -1.703 1.771 4.897) 5.479 7.027 ( -1.792 1.217 -2.917) 3.633 7.200 ( -1.953 2.400 0.744) 3.182 7.495 ( 16.848 -13.126 -11.322) 24.173 7.538 ( 7.859 -4.946 9.989) 13.639 7.557 ( 0.323 0.189 -1.957) 1.993 7.757 ( 1.732 -1.725 -3.597) 4.349 8.030 ( 5.119 -5.578 -0.188) 7.573 8.367 ( -2.333 1.911 5.932) 6.655 8.412 ( -0.678 0.180 -5.631) 5.675 8.635 ( 1.659 -3.842 -8.616) 9.579 8.749 ( -1.337 1.349 0.207) 1.910 8.865 ( -3.906 3.292 5.660) 7.625 9.178 ( -0.031 -11.190 6.878) 13.134 9.215 ( 3.057 2.227 1.706) 4.149 9.675 ( -0.594 2.945 -1.520) 3.367 9.759 ( 4.795 -3.053 6.929) 8.962 9.798 ( 6.347 2.242 0.230) 6.736 9.926 ( -0.512 -2.532 1.840) 3.172 9.999 ( -4.049 -0.013 -2.235) 4.624 10.335 ( 5.018 2.519 6.982) 8.959 10.388 ( -0.821 -0.779 -1.234) 1.675 10.573 ( 4.654 -4.626 -1.826) 6.811 10.812 ( 7.072 -11.633 1.209) 13.667 11.000 ( 3.227 -2.716 -2.904) 5.121 11.169 ( 0.207 2.562 2.835) 3.827 11.352 ( 5.829 -6.594 -0.210) 8.803 11.502 ( 0.662 -6.453 5.471) 8.486 11.584 ( 10.590 -8.610 -11.581) 17.900 11.663 ( 5.049 2.945 4.989) 7.684 11.709 ( -1.521 -5.649 0.816) 5.907 11.866 ( -4.394 -5.260 -4.944) 8.451 12.158 ( -8.492 10.512 -7.589) 15.499 12.396 ( 0.672 -3.828 -0.615) 3.935 12.404 ( 6.386 -4.942 -0.687) 8.104 12.568 ( 4.974 6.050 0.510) 7.849 12.630 ( 4.275 -4.203 -0.304) 6.003 12.918 ( 4.414 0.365 2.198) 4.945 12.954 ( -1.411 1.208 -2.687) 3.267 13.086 ( -3.451 -0.840 3.389) 4.909 13.147 ( 3.824 -1.972 -0.639) 4.350 13.326 ( 11.969 -10.331 -4.166) 16.351 13.397 ( 7.959 -2.591 -1.470) 8.498 13.547 ( -9.510 -3.300 3.202) 10.564 13.765 ( 11.109 -6.585 -1.335) 12.983 13.883 ( -10.509 2.269 1.744) 10.891 13.953 ( 12.386 -15.176 2.748) 19.780 14.084 ( 2.465 -1.054 1.954) 3.317 14.219 ( -4.570 3.425 6.225) 8.448 14.439 ( -1.712 2.682 3.617) 4.817 14.578 ( -3.167 4.233 0.154) 5.289 14.724 ( -1.843 5.454 -1.076) 5.857 14.851 ( -7.536 10.821 0.507) 13.196 15.050 ( -4.460 1.918 -10.160) 11.261 15.184 ( -1.817 -2.219 -2.572) 3.852 15.257 ( -0.311 8.909 7.019) 11.346 15.408 ( -7.612 7.377 2.890) 10.986 15.528 ( -5.774 -0.809 -2.599) 6.384 15.667 ( 2.776 1.193 1.350) 3.309 15.688 ( -5.190 5.708 -0.775) 7.754 16.041 ( 3.786 3.563 -9.395) 10.738 16.087 ( -7.333 -0.266 -0.836) 7.385 16.206 ( -4.710 2.417 4.748) 7.111 16.405 ( -0.634 -1.974 3.689) 4.231 16.507 ( -6.173 -0.288 3.413) 7.060 16.744 ( 4.298 -1.488 -3.407) 5.683 16.852 ( -2.837 5.957 -5.390) 8.520 16.981 ( -1.751 5.029 2.430) 5.853 17.160 ( 2.178 4.177 12.119) 13.003 17.286 ( -5.786 3.545 -13.308) 14.938 17.609 ( 3.589 0.577 -1.374) 3.886 17.875 ( 10.927 0.980 2.084) 11.167 17.944 ( 1.719 2.165 1.369) 3.085 18.015 ( -6.295 -1.410 -2.404) 6.884 18.236 ( -3.143 -2.748 1.021) 4.298 18.306 ( -2.224 -6.306 2.925) 7.298 18.561 ( 2.844 2.385 -1.815) 4.132 18.719 ( -1.140 -2.306 -1.100) 2.798 18.847 ( 3.803 -1.154 2.086) 4.489 18.993 ( -0.280 -0.523 -1.922) 2.012 19.041 ( -0.240 4.021 -0.627) 4.076 19.274 ( -2.612 -2.830 -2.363) 4.518 19.296 ( 1.937 4.076 4.052) 6.065 19.386 ( -2.870 -4.790 2.853) 6.270 19.460 ( -0.419 0.352 -0.093) 0.555 19.769 ( 3.206 -4.576 2.613) 6.168 19.814 ( 0.818 0.898 -2.098) 2.425 19.889 ( -0.975 0.431 1.045) 1.493 19.982 ( 1.408 2.117 -0.617) 2.616 20.182 ( -5.581 3.277 0.154) 6.474 20.317 ( -0.328 1.058 -0.945) 1.456 20.921 ( -1.327 0.701 -2.336) 2.777 21.183 ( 0.440 2.347 -1.633) 2.892 21.635 ( -0.092 -1.830 1.668) 2.478 22.432 ( 0.036 -0.030 -2.021) 2.022 22.700 ( 0.928 -1.205 3.033) 3.393 23.126 ( -0.600 -0.585 -0.062) 0.840 23.276 ( 0.277 -2.999 -3.268) 4.444 23.309 ( 2.254 2.016 -0.233) 3.033 23.467 ( -0.645 -4.748 -6.968) 8.456 23.534 ( -1.333 5.251 9.810) 11.207 23.943 ( 4.231 -1.314 3.343) 5.550 24.062 ( -0.660 0.262 -0.165) 0.729 24.669 ( 4.192 -10.222 -1.614) 11.166 24.941 ( -1.477 2.622 -1.781) 3.497 25.110 ( -2.396 4.887 -0.370) 5.455 26.186 ( 2.400 -2.501 1.336) 3.714 26.488 ( -0.429 0.301 0.652) 0.837 26.838 ( -2.785 3.088 -1.516) 4.426 ======================= Grid point 173 (76/95) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 13.291 -0.000 -43.499) 45.484 2.490 ( 5.444 -0.000 37.176) 37.573 2.717 ( 26.725 -0.000 -28.854) 39.329 3.704 ( 36.113 -0.000 45.011) 57.707 4.075 ( 56.114 -0.000 -50.994) 75.823 5.506 ( 45.863 -0.000 54.469) 71.206 6.004 ( -5.984 0.000 -14.752) 15.920 6.133 ( -2.909 0.000 -16.759) 17.010 6.301 ( 6.764 -0.000 3.351) 7.548 6.478 ( 8.716 -0.000 -6.510) 10.879 6.841 ( -3.914 0.000 6.827) 7.870 7.036 ( 0.299 -0.000 12.522) 12.525 7.380 ( -0.605 0.000 2.050) 2.137 7.438 ( -7.611 0.000 4.278) 8.730 7.532 ( -16.561 0.000 0.044) 16.561 7.727 ( -0.164 0.000 0.698) 0.717 7.797 ( 0.941 -0.000 -2.351) 2.532 7.894 ( -8.043 0.000 -7.495) 10.994 7.954 ( 1.286 -0.000 8.110) 8.212 8.234 ( -0.398 0.000 -0.678) 0.786 8.238 ( -26.028 0.000 -6.148) 26.744 8.479 ( -1.597 0.000 1.945) 2.517 8.765 ( -5.354 0.000 -1.436) 5.543 8.969 ( 5.337 -0.000 3.983) 6.659 8.979 ( -15.352 0.000 -8.966) 17.779 9.156 ( -5.887 0.000 -0.106) 5.888 9.252 ( -15.519 0.000 6.070) 16.664 9.503 ( 0.855 -0.000 9.739) 9.777 9.586 ( 2.238 -0.000 -11.843) 12.053 9.874 ( 4.033 -0.000 -0.296) 4.044 9.945 ( 4.373 -0.000 0.518) 4.403 9.958 ( -5.423 0.000 -8.331) 9.940 10.156 ( 5.649 -0.000 -4.013) 6.929 10.320 ( -7.056 0.000 3.915) 8.070 10.422 ( 9.064 -0.000 -9.494) 13.126 10.769 ( 12.205 -0.000 2.018) 12.370 10.806 ( 16.810 -0.000 -7.058) 18.231 10.810 ( 8.318 -0.000 -3.187) 8.908 10.912 ( 8.647 -0.000 -2.000) 8.876 11.049 ( 25.142 -0.000 -5.705) 25.781 11.207 ( 9.399 -0.000 7.384) 11.953 11.534 ( 4.556 -0.000 13.464) 14.214 11.579 ( 5.279 -0.000 -2.662) 5.912 11.745 ( 14.454 -0.000 -3.851) 14.958 11.746 ( 17.805 -0.000 6.511) 18.958 11.832 ( 6.664 -0.000 -0.756) 6.706 11.909 ( 19.730 -0.000 1.789) 19.811 12.096 ( 17.666 -0.000 4.574) 18.248 12.199 ( 1.451 -0.000 -1.209) 1.889 12.292 ( 5.806 -0.000 6.205) 8.498 12.538 ( 5.188 -0.000 -1.844) 5.506 12.724 ( 12.374 -0.000 1.054) 12.418 12.983 ( 10.448 -0.000 -10.337) 14.698 13.035 ( 9.757 -0.000 5.267) 11.088 13.367 ( -7.631 0.000 13.514) 15.520 13.609 ( 3.889 -0.000 0.628) 3.939 13.823 ( -12.826 0.000 2.044) 12.988 14.365 ( -6.590 0.000 -11.746) 13.469 14.478 ( -9.841 0.000 6.353) 11.714 14.562 ( -2.356 0.000 3.751) 4.430 14.791 ( -3.853 0.000 6.613) 7.653 15.087 ( -17.021 0.000 -0.069) 17.021 15.234 ( -0.569 0.000 -13.723) 13.735 15.241 ( -10.119 0.000 -5.967) 11.747 15.385 ( 3.440 -0.000 17.709) 18.040 15.510 ( -7.324 0.000 3.572) 8.148 15.535 ( -5.456 0.000 1.033) 5.553 15.553 ( 2.391 -0.000 2.828) 3.703 15.686 ( 11.728 -0.000 -4.328) 12.501 15.791 ( -13.818 0.000 -17.933) 22.639 15.934 ( -7.498 0.000 1.408) 7.629 16.357 ( -4.269 0.000 -18.845) 19.323 16.418 ( -17.933 0.000 -5.433) 18.738 16.617 ( 1.959 -0.000 12.668) 12.818 16.741 ( -2.954 0.000 7.147) 7.733 16.794 ( 0.493 -0.000 -8.114) 8.129 17.144 ( -1.369 0.000 -2.674) 3.004 17.210 ( -4.517 0.000 -10.306) 11.252 17.317 ( 2.888 -0.000 1.067) 3.079 17.394 ( -6.791 0.000 1.643) 6.987 17.772 ( -12.117 0.000 0.171) 12.118 17.792 ( 6.728 -0.000 7.471) 10.054 17.845 ( -8.636 0.000 2.939) 9.122 17.873 ( 4.844 -0.000 -14.188) 14.992 18.093 ( -9.169 0.000 10.158) 13.684 18.357 ( -2.904 0.000 -4.194) 5.101 18.365 ( 2.251 -0.000 2.341) 3.248 18.505 ( 5.815 -0.000 11.312) 12.719 18.541 ( 7.524 -0.000 8.955) 11.696 18.564 ( 6.275 -0.000 7.479) 9.763 18.630 ( -6.803 0.000 -7.224) 9.923 18.922 ( 3.396 -0.000 0.497) 3.433 19.054 ( 7.756 -0.000 -3.017) 8.322 19.176 ( -5.490 0.000 -3.218) 6.364 19.512 ( 5.590 -0.000 -5.980) 8.186 19.558 ( -9.883 0.000 -0.407) 9.892 19.770 ( -13.487 0.000 -0.878) 13.516 19.858 ( -4.663 0.000 0.868) 4.743 20.076 ( 2.438 -0.000 -0.981) 2.628 20.094 ( -1.788 0.000 -4.005) 4.386 20.400 ( 1.306 -0.000 5.552) 5.703 20.487 ( 2.000 -0.000 -7.931) 8.180 20.893 ( -2.810 0.000 15.201) 15.459 21.291 ( 8.711 -0.000 -11.890) 14.740 21.767 ( -9.559 0.000 18.196) 20.555 22.351 ( -9.132 0.000 0.649) 9.155 22.803 ( -3.133 0.000 -5.790) 6.584 22.825 ( -3.727 0.000 3.320) 4.991 23.268 ( 5.428 -0.000 0.592) 5.460 23.306 ( 6.290 -0.000 2.440) 6.747 23.335 ( 7.287 -0.000 -2.036) 7.566 23.426 ( 6.833 -0.000 -3.196) 7.544 23.785 ( 4.285 -0.000 6.666) 7.924 23.879 ( 2.507 -0.000 7.222) 7.644 24.490 ( -3.870 0.000 -5.642) 6.841 24.608 ( 1.755 -0.000 -2.484) 3.041 25.370 ( 9.520 -0.000 -14.549) 17.387 25.706 ( 4.991 -0.000 9.608) 10.827 26.859 ( -10.222 0.000 3.191) 10.708 27.132 ( -4.978 0.000 -11.533) 12.562 ======================= Grid point 174 (77/95) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 44.578 -18.968 -4.590) 48.662 2.913 ( 14.721 -12.784 35.194) 40.234 3.000 ( 47.923 10.523 -29.578) 57.291 4.307 ( 38.603 15.654 41.584) 58.860 4.881 ( 48.480 -25.654 -36.873) 66.091 5.686 ( -7.195 -5.059 -28.762) 30.077 5.898 ( -4.036 15.280 -14.142) 21.208 6.323 ( 2.962 8.689 0.579) 9.198 6.462 ( 14.367 0.685 12.555) 19.093 6.609 ( 7.357 4.255 8.889) 12.298 6.857 ( 8.412 -7.836 3.906) 12.141 6.950 ( -14.329 2.410 7.072) 16.160 7.241 ( -3.663 18.814 -0.412) 19.172 7.343 ( 0.578 5.768 12.074) 13.394 7.487 ( 3.261 -2.305 5.967) 7.181 7.622 ( -5.868 12.773 -5.387) 15.053 7.644 ( 3.996 9.265 7.150) 12.367 7.737 ( 2.135 2.748 5.912) 6.860 7.905 ( -1.348 9.039 8.343) 12.374 8.041 ( 3.421 -0.177 -2.775) 4.408 8.360 ( -4.070 -11.508 -5.517) 13.396 8.469 ( -3.595 11.142 -5.921) 13.120 8.501 ( -4.395 -1.256 0.038) 4.571 8.839 ( -9.826 -7.679 -7.122) 14.361 9.101 ( -7.180 -0.420 4.617) 8.546 9.229 ( 3.657 -18.035 4.362) 18.911 9.324 ( 8.207 -12.359 2.885) 15.114 9.553 ( -0.082 2.972 -5.463) 6.219 9.708 ( 10.986 2.487 -3.552) 11.811 9.760 ( -0.883 -12.491 8.540) 15.157 9.923 ( 5.266 -0.144 0.245) 5.273 10.109 ( 1.480 2.989 -0.911) 3.457 10.181 ( 1.169 -4.111 -4.435) 6.159 10.272 ( -1.123 -8.875 -1.635) 9.094 10.445 ( 4.438 -0.813 -19.942) 20.446 10.817 ( 8.369 1.216 -12.893) 15.419 10.943 ( 11.070 -0.294 -8.987) 14.262 11.004 ( 3.507 -9.956 1.418) 10.650 11.053 ( 8.918 -0.079 2.088) 9.160 11.215 ( -0.974 3.708 -0.541) 3.872 11.420 ( 4.208 -4.414 5.805) 8.420 11.591 ( 13.090 -0.788 0.178) 13.115 11.656 ( 3.935 0.963 4.821) 6.297 11.909 ( 9.796 -2.196 -5.092) 11.257 12.038 ( 13.049 -5.911 5.049) 15.189 12.186 ( 10.663 -7.676 -2.918) 13.459 12.219 ( 18.550 -7.190 2.342) 20.032 12.319 ( 8.681 -11.332 6.261) 15.587 12.492 ( 16.447 -10.689 5.701) 20.427 12.581 ( 24.600 -9.674 15.710) 30.750 12.654 ( 8.624 -5.815 -3.467) 10.964 12.850 ( 8.617 0.674 -6.141) 10.603 13.157 ( 14.320 -1.651 -5.134) 15.302 13.223 ( 13.416 0.960 5.518) 14.538 13.329 ( -3.591 1.452 15.605) 16.078 13.643 ( -6.042 1.796 2.402) 6.745 13.689 ( 2.657 1.868 1.986) 3.807 14.180 ( -5.412 6.801 -10.355) 13.519 14.372 ( -9.952 -0.284 -0.327) 9.962 14.508 ( -11.396 -3.923 -2.607) 12.331 14.733 ( -12.141 6.232 7.320) 15.486 14.804 ( -12.180 7.698 -0.927) 14.438 14.918 ( -5.928 8.649 4.336) 11.346 15.193 ( -4.557 -1.529 -10.962) 11.970 15.314 ( -9.188 7.903 2.273) 12.331 15.435 ( -6.352 3.286 -9.480) 11.875 15.455 ( 0.327 3.899 7.883) 8.800 15.526 ( -9.655 -3.052 3.130) 10.599 15.628 ( 5.608 4.845 3.474) 8.186 15.850 ( -1.019 -5.891 -10.272) 11.885 15.943 ( 1.208 -6.002 1.317) 6.263 16.107 ( -19.624 -4.757 0.436) 20.197 16.286 ( -2.652 0.069 -8.080) 8.504 16.547 ( -5.939 9.267 0.729) 11.030 16.622 ( -11.429 2.545 -2.324) 11.938 16.731 ( 0.876 10.129 4.765) 11.228 17.029 ( -1.687 6.946 -8.383) 11.017 17.158 ( -10.136 10.573 -8.214) 16.792 17.316 ( 4.644 -0.831 6.299) 7.869 17.446 ( 10.893 -3.211 4.129) 12.084 17.595 ( -12.467 1.390 0.840) 12.572 17.676 ( -14.632 1.672 3.098) 15.050 17.795 ( -4.136 -0.162 -12.361) 13.036 17.884 ( -13.057 2.848 3.282) 13.761 17.924 ( 2.000 -0.878 7.390) 7.706 18.281 ( -0.447 2.955 0.461) 3.024 18.361 ( -2.065 4.965 -3.653) 6.501 18.494 ( -0.204 -2.556 3.098) 4.022 18.574 ( 0.725 -3.841 -1.265) 4.109 18.642 ( 2.647 -1.995 3.092) 4.533 18.908 ( 4.208 -11.240 7.122) 13.956 19.013 ( 1.509 -0.138 7.212) 7.370 19.060 ( -1.783 -2.491 -2.566) 3.996 19.127 ( -2.074 -3.044 -2.453) 4.425 19.431 ( -2.175 0.084 -0.549) 2.245 19.538 ( -11.071 3.775 -1.748) 11.827 19.605 ( 5.094 -3.248 -2.930) 6.715 19.848 ( 0.497 0.518 1.963) 2.090 20.030 ( -1.784 2.993 -1.921) 3.979 20.074 ( 1.280 3.188 -2.695) 4.366 20.425 ( 1.214 3.208 3.863) 5.166 20.447 ( -3.205 0.179 -4.986) 5.930 20.973 ( 5.120 0.948 8.714) 10.151 21.330 ( 2.431 -2.067 -10.807) 11.269 21.654 ( -9.150 7.405 8.998) 14.817 22.214 ( -13.346 -9.602 -1.908) 16.552 22.712 ( 2.115 5.294 0.974) 5.784 22.925 ( 1.820 -7.772 1.256) 8.081 23.286 ( 4.494 3.253 -2.733) 6.184 23.352 ( 2.588 0.726 0.078) 2.690 23.421 ( 2.486 2.772 -4.023) 5.482 23.567 ( 9.792 -5.048 2.625) 11.325 23.849 ( 4.005 4.660 6.739) 9.120 23.980 ( 3.810 -3.519 7.774) 9.346 24.386 ( -2.260 2.268 -5.817) 6.640 24.692 ( 1.474 -8.182 -2.866) 8.794 25.436 ( 6.970 2.626 -11.335) 13.563 25.860 ( 6.686 -4.797 7.863) 11.381 26.705 ( -7.961 6.052 4.567) 10.994 27.007 ( -8.108 -2.141 -7.774) 11.435 ======================= Grid point 175 (78/95) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( 35.275 -4.562 0.194) 35.569 3.406 ( 50.575 -12.558 -0.039) 52.111 3.692 ( 38.248 -19.832 14.731) 45.533 4.753 ( 35.391 17.539 28.980) 48.990 5.108 ( -5.139 10.930 -16.781) 20.676 5.454 ( -8.506 26.018 0.430) 27.377 5.940 ( 1.440 -5.246 -9.118) 10.617 6.115 ( 5.873 24.321 -13.085) 28.235 6.360 ( 14.849 2.700 -15.384) 21.551 6.561 ( -2.821 9.424 1.650) 9.975 6.703 ( 1.103 19.710 -2.138) 19.856 6.797 ( -5.968 13.458 -3.908) 15.232 7.026 ( -1.240 -2.526 -0.475) 2.854 7.273 ( -0.375 12.489 -4.020) 13.125 7.377 ( 3.517 6.675 -4.309) 8.689 7.595 ( 10.080 -1.550 0.110) 10.199 7.718 ( 2.308 11.823 1.054) 12.092 7.809 ( 9.093 4.005 6.327) 11.779 7.982 ( 6.945 7.719 -1.329) 10.468 8.336 ( -5.093 -7.008 -5.717) 10.380 8.379 ( 15.546 -11.289 28.398) 34.286 8.461 ( 7.051 -2.563 -3.249) 8.175 8.574 ( 8.410 -15.481 7.265) 19.057 8.817 ( 1.374 0.550 4.317) 4.564 9.074 ( -2.044 -1.200 4.465) 5.055 9.317 ( 2.280 8.782 3.579) 9.754 9.463 ( -4.064 -5.353 0.929) 6.785 9.633 ( 2.795 -11.703 -0.448) 12.041 9.758 ( -3.714 -7.120 -4.379) 9.146 9.977 ( 2.191 -0.029 3.642) 4.250 10.057 ( 5.819 5.845 -1.853) 8.453 10.215 ( 6.887 -5.524 -2.486) 9.172 10.302 ( 7.383 -14.685 8.030) 18.294 10.387 ( -1.296 -8.003 -4.677) 9.359 10.530 ( 4.937 -13.084 -13.671) 19.556 10.922 ( 0.695 4.263 -5.825) 7.251 10.985 ( 12.055 -13.383 -8.694) 20.000 11.162 ( -4.999 -9.306 0.847) 10.598 11.209 ( 3.644 -7.505 -2.263) 8.644 11.235 ( 2.803 -8.585 -1.208) 9.111 11.457 ( 1.299 -4.445 4.404) 6.390 11.697 ( 0.968 0.074 1.525) 1.807 11.792 ( 14.449 3.161 1.182) 14.838 12.106 ( 11.556 -2.795 -0.760) 11.914 12.289 ( -1.241 -7.526 -3.285) 8.305 12.301 ( 8.899 -4.310 1.316) 9.974 12.499 ( 5.980 -3.823 1.650) 7.287 12.689 ( 7.078 -14.692 -3.977) 16.786 12.815 ( 10.081 -7.958 -1.559) 12.938 12.893 ( 10.490 0.784 3.190) 10.992 12.997 ( 12.243 -12.792 -6.887) 18.999 13.073 ( 6.546 0.443 3.214) 7.306 13.288 ( 1.228 0.412 14.796) 14.853 13.391 ( 9.615 2.628 -0.386) 9.975 13.442 ( 11.905 -3.336 3.173) 12.764 13.502 ( 8.332 4.962 3.454) 10.294 13.776 ( 6.561 0.386 3.264) 7.338 13.949 ( -0.070 6.833 -6.861) 9.683 14.175 ( -8.377 2.536 -1.263) 8.843 14.412 ( -14.536 1.655 5.480) 15.623 14.446 ( -6.766 3.243 2.824) 8.017 14.629 ( -5.482 -0.868 -0.458) 5.570 14.865 ( -1.777 7.800 10.853) 13.483 14.995 ( -9.202 4.129 -5.523) 11.499 15.167 ( -6.050 -0.431 -6.792) 9.106 15.273 ( -8.105 2.272 -3.172) 8.996 15.384 ( -2.832 6.424 3.551) 7.868 15.485 ( -4.255 -0.648 1.371) 4.517 15.588 ( -1.194 3.500 -3.015) 4.771 15.831 ( -12.017 -0.494 5.065) 13.051 15.901 ( -2.893 -4.977 -14.388) 15.497 16.035 ( -10.121 -1.478 3.269) 10.738 16.083 ( -10.011 15.215 4.211) 18.693 16.382 ( 1.339 6.038 -0.361) 6.195 16.471 ( -4.974 -0.838 -0.524) 5.071 16.532 ( -10.266 9.698 -1.885) 14.247 16.779 ( -7.515 9.302 -4.183) 12.669 16.896 ( -8.387 0.943 -5.082) 9.852 17.257 ( -2.393 9.319 0.850) 9.658 17.380 ( -16.935 5.340 6.910) 19.054 17.404 ( -6.382 4.127 -1.658) 7.778 17.623 ( -3.385 0.907 -6.810) 7.658 17.794 ( -7.392 -6.702 0.769) 10.008 17.829 ( 6.749 -9.839 0.388) 11.938 17.988 ( 5.667 1.614 8.418) 10.275 18.231 ( -0.121 3.494 -1.124) 3.672 18.292 ( 0.993 3.593 2.051) 4.255 18.523 ( -1.480 -3.981 0.601) 4.290 18.657 ( 4.439 -2.348 -3.166) 5.937 18.741 ( -0.456 -5.266 2.999) 6.077 18.919 ( -7.789 -3.599 -3.755) 9.366 19.050 ( -7.151 -2.596 -3.718) 8.468 19.090 ( 0.350 -8.549 2.277) 8.854 19.279 ( 8.470 -4.417 11.223) 14.737 19.365 ( -3.638 2.248 -2.673) 5.043 19.460 ( 2.569 -0.025 -0.645) 2.649 19.697 ( 1.488 -2.835 -0.463) 3.235 19.878 ( 5.105 3.005 1.708) 6.165 19.949 ( -2.751 2.788 -1.517) 4.200 20.038 ( 3.611 3.476 -1.034) 5.117 20.334 ( -6.191 6.294 1.292) 8.923 20.376 ( -1.187 2.008 -4.501) 5.069 21.008 ( 3.245 5.570 -1.050) 6.531 21.327 ( 1.011 2.352 -3.998) 4.748 21.508 ( -5.384 -1.362 3.688) 6.667 22.204 ( -12.074 -13.250 -0.649) 17.938 22.730 ( 5.953 3.318 4.275) 8.044 23.056 ( 2.823 -5.289 0.959) 6.071 23.289 ( 4.419 4.071 -4.346) 7.416 23.360 ( -2.369 -2.156 -4.096) 5.199 23.383 ( 3.399 2.528 -1.301) 4.432 23.752 ( 6.178 7.092 11.614) 14.945 23.886 ( 5.230 -4.013 3.061) 7.268 24.082 ( 2.875 1.113 1.985) 3.667 24.358 ( -0.720 -6.469 -4.918) 8.158 24.810 ( -0.740 -8.723 -3.062) 9.274 25.376 ( 2.911 9.031 -6.403) 11.447 26.061 ( 5.902 -5.689 4.890) 9.545 26.545 ( -5.055 4.543 2.715) 7.319 26.890 ( -8.200 -0.856 -3.694) 9.034 ======================= Grid point 176 (79/95) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( 35.935 -4.352 -5.790) 36.658 4.228 ( 39.105 -7.179 7.070) 40.383 4.566 ( 21.364 -7.762 5.479) 23.381 4.698 ( -6.194 24.031 -6.234) 25.588 4.800 ( 6.534 15.431 11.737) 20.459 5.280 ( 22.276 16.538 18.279) 33.224 5.538 ( 5.025 38.096 -9.102) 39.489 5.902 ( -4.028 12.390 -12.577) 18.109 6.059 ( 1.058 11.372 -0.468) 11.431 6.347 ( -0.129 19.127 -0.608) 19.137 6.502 ( 5.708 9.860 -1.136) 11.450 6.802 ( 4.255 7.483 3.675) 9.360 7.151 ( 9.253 8.258 -2.521) 12.656 7.253 ( 5.447 -0.028 1.943) 5.783 7.502 ( 15.411 -6.634 -21.629) 27.373 7.564 ( 2.806 7.163 -14.826) 16.703 7.716 ( 12.989 0.271 9.061) 15.839 7.879 ( 10.334 8.433 0.180) 13.339 8.075 ( 7.757 -1.838 -1.727) 8.157 8.323 ( -3.047 -3.584 -7.177) 8.582 8.426 ( 1.484 3.294 6.236) 7.207 8.670 ( 5.825 -2.618 11.321) 12.998 8.799 ( 3.336 2.419 5.668) 7.008 8.925 ( 1.547 4.382 0.157) 4.650 9.076 ( -1.266 -2.484 3.695) 4.629 9.320 ( 5.726 3.689 3.566) 7.689 9.593 ( -4.555 -5.869 -1.718) 7.625 9.689 ( -4.741 -6.937 -1.679) 8.568 9.792 ( -3.806 -4.974 2.039) 6.586 10.001 ( -2.960 1.945 9.264) 9.918 10.012 ( 1.429 6.546 6.079) 9.047 10.223 ( -6.057 -2.155 -4.635) 7.926 10.419 ( -4.272 -4.002 7.103) 9.204 10.594 ( 7.177 -3.349 -6.089) 9.990 10.744 ( 7.278 -13.623 -4.143) 15.991 10.909 ( -2.057 -6.454 -3.403) 7.580 11.200 ( -3.101 -2.003 4.027) 5.463 11.347 ( 10.687 -10.522 -1.866) 15.113 11.374 ( 0.972 -11.174 -6.928) 13.183 11.418 ( 2.134 -14.199 -0.060) 14.358 11.628 ( 1.177 -9.253 0.447) 9.339 11.688 ( 0.800 2.495 -1.572) 3.055 11.930 ( 10.088 6.220 1.293) 11.922 12.119 ( -14.037 7.574 -4.934) 16.696 12.208 ( -4.207 -4.498 -3.755) 7.213 12.472 ( 4.854 -0.313 -2.864) 5.645 12.561 ( 2.340 -1.163 -0.741) 2.716 12.728 ( -1.428 -2.049 -7.292) 7.708 12.886 ( 1.787 -6.691 1.513) 7.089 13.016 ( 1.750 0.310 1.143) 2.113 13.151 ( 6.132 -0.114 1.098) 6.230 13.237 ( 4.050 1.109 -2.528) 4.901 13.364 ( 3.922 -0.009 12.548) 13.147 13.472 ( 10.002 0.654 -5.549) 11.456 13.557 ( 7.107 2.401 5.927) 9.561 13.813 ( 0.444 1.440 6.390) 6.565 13.915 ( 15.641 -8.945 4.350) 18.536 13.995 ( 6.911 5.050 -1.642) 8.715 14.076 ( 0.003 -2.278 -0.932) 2.461 14.286 ( 0.260 2.208 14.405) 14.575 14.426 ( -0.515 -4.478 4.550) 6.405 14.571 ( -4.920 1.781 -6.144) 8.071 14.695 ( -8.375 7.233 -1.650) 11.188 14.823 ( -9.308 -1.175 -0.383) 9.390 14.912 ( -16.654 13.101 -12.223) 24.462 15.160 ( 2.624 -2.007 -3.816) 5.047 15.269 ( -5.348 1.396 -2.376) 6.016 15.433 ( -6.677 6.319 7.423) 11.816 15.476 ( -2.578 -4.271 1.486) 5.205 15.661 ( -5.234 5.016 1.604) 7.425 15.764 ( -1.969 4.473 -0.929) 4.974 15.948 ( -10.804 -6.315 4.976) 13.467 16.013 ( 6.566 -5.163 -14.043) 16.339 16.271 ( -7.575 3.039 6.059) 10.165 16.372 ( 6.669 5.063 -0.738) 8.405 16.399 ( -6.803 -0.213 -2.102) 7.123 16.696 ( -2.805 -2.262 -8.771) 9.482 16.805 ( -2.676 -4.424 5.361) 7.448 17.040 ( -11.721 3.654 -4.510) 13.080 17.147 ( -8.302 6.755 0.747) 10.729 17.327 ( 0.942 3.145 7.472) 8.161 17.521 ( -10.004 -5.742 -2.410) 11.783 17.779 ( -7.875 -6.054 0.316) 9.938 17.917 ( -3.468 1.735 3.091) 4.959 18.168 ( 2.481 -5.522 0.131) 6.055 18.187 ( 9.834 7.411 5.133) 13.340 18.298 ( 3.262 0.583 0.272) 3.325 18.577 ( -2.025 -6.564 -0.156) 6.872 18.722 ( 5.374 1.892 -2.241) 6.122 18.762 ( -7.297 -5.247 1.541) 9.118 18.823 ( -12.026 -6.030 -3.828) 13.987 19.049 ( 2.338 -0.507 -2.458) 3.430 19.177 ( 0.625 -3.612 0.009) 3.666 19.343 ( 2.719 0.988 2.456) 3.795 19.471 ( 4.972 5.176 0.116) 7.178 19.481 ( 5.599 -3.008 2.077) 6.687 19.761 ( 0.039 -6.583 1.741) 6.809 19.849 ( -1.879 2.448 -2.852) 4.202 19.908 ( 2.102 1.794 -1.222) 3.021 20.025 ( -0.209 7.825 -1.459) 7.962 20.174 ( -1.033 2.483 -0.462) 2.729 20.333 ( 0.173 0.983 -1.507) 1.807 20.959 ( 1.401 3.740 1.763) 4.366 21.260 ( 2.203 6.665 -3.371) 7.787 21.543 ( -3.807 -7.540 1.567) 8.591 22.223 ( -11.206 -12.070 2.205) 16.617 22.776 ( 5.061 4.172 1.755) 6.790 23.152 ( 1.229 -3.074 1.905) 3.819 23.247 ( 1.074 3.689 -3.310) 5.072 23.358 ( 0.334 -0.613 -0.006) 0.698 23.435 ( 7.007 -0.911 -4.049) 8.144 23.696 ( -0.378 8.684 7.898) 11.745 24.022 ( 4.052 4.047 -0.346) 5.737 24.056 ( 0.273 0.376 0.776) 0.904 24.514 ( 2.106 -14.283 -2.830) 14.712 24.858 ( -5.542 -5.562 -2.265) 8.172 25.253 ( 4.517 11.273 -1.584) 12.247 26.190 ( 1.427 -2.132 2.664) 3.698 26.480 ( -1.471 0.105 1.242) 1.928 26.786 ( -5.354 -0.985 -1.761) 5.721 ======================= Grid point 177 (80/95) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.959 ( -4.976 34.873 -8.718) 36.289 4.067 ( -11.515 35.700 8.569) 38.477 4.585 ( 7.916 7.250 3.992) 11.452 4.679 ( 8.909 27.009 -16.916) 33.091 4.775 ( 6.677 15.099 1.275) 16.559 5.117 ( 27.840 7.663 -0.125) 28.875 5.777 ( 34.074 -1.263 23.568) 41.450 5.977 ( 23.777 -7.687 -3.535) 25.237 6.187 ( 2.289 -0.194 9.925) 10.187 6.250 ( 25.084 4.796 -5.316) 26.086 6.606 ( 20.963 -0.974 -3.227) 21.232 6.746 ( 3.689 5.401 -6.042) 8.904 7.194 ( 11.265 7.230 2.930) 13.703 7.241 ( 0.706 4.026 -5.458) 6.819 7.417 ( 1.337 4.410 -10.536) 11.500 7.506 ( -2.652 8.380 -5.932) 10.604 7.763 ( 2.281 18.072 9.173) 20.395 7.901 ( 1.196 13.103 9.891) 16.460 8.104 ( 0.805 8.438 1.079) 8.545 8.299 ( -2.965 -3.919 -6.872) 8.448 8.445 ( 2.607 -0.375 2.306) 3.500 8.748 ( -2.877 6.833 14.048) 15.884 8.820 ( 5.177 4.719 4.122) 8.128 8.908 ( 6.445 1.841 -6.842) 9.578 9.105 ( -4.506 -3.978 -2.511) 6.514 9.305 ( -3.509 10.538 -6.268) 12.753 9.488 ( -4.658 -5.287 -3.676) 7.947 9.684 ( -5.847 -3.703 -5.219) 8.668 9.754 ( -2.379 -0.242 5.965) 6.426 9.962 ( -1.402 3.263 2.378) 4.274 10.022 ( -4.783 -6.307 0.478) 7.929 10.123 ( -3.671 0.828 -2.393) 4.459 10.421 ( -2.332 0.654 5.660) 6.157 10.574 ( -6.179 4.234 -2.624) 7.937 10.855 ( -0.956 3.240 -8.063) 8.742 10.912 ( -9.277 -4.180 -2.740) 10.538 11.104 ( -3.450 -1.783 1.759) 4.263 11.325 ( -5.780 -0.996 -10.334) 11.882 11.425 ( -11.679 1.269 -1.811) 11.886 11.492 ( -11.296 -2.459 1.817) 11.702 11.528 ( -2.670 3.765 1.367) 4.814 11.895 ( 4.391 8.771 2.438) 10.107 12.011 ( 2.099 6.562 4.520) 8.239 12.129 ( -0.124 -9.251 -2.066) 9.480 12.203 ( 4.054 -15.624 9.413) 18.685 12.399 ( -3.656 3.749 -1.449) 5.434 12.571 ( 1.332 8.080 2.845) 8.669 12.739 ( 0.209 -2.772 -6.804) 7.350 12.838 ( -7.277 4.031 -3.799) 9.145 12.978 ( 1.173 8.251 6.934) 10.842 13.178 ( -5.126 5.434 4.870) 8.917 13.263 ( 7.617 6.664 4.509) 11.079 13.296 ( -2.568 0.091 8.719) 9.090 13.459 ( -2.260 15.165 -1.124) 15.373 13.698 ( 9.189 -0.354 -3.037) 9.684 13.788 ( -4.018 2.231 9.741) 10.770 13.912 ( -4.659 7.361 -13.715) 16.248 14.072 ( -0.895 17.847 -6.632) 19.060 14.090 ( -3.465 3.110 4.372) 6.387 14.239 ( 7.693 -5.132 -1.566) 9.380 14.403 ( 1.727 -4.579 -0.916) 4.979 14.499 ( -5.574 -2.690 -6.283) 8.820 14.640 ( -0.654 -3.817 2.118) 4.413 14.801 ( 9.685 -13.986 1.609) 17.088 14.950 ( 2.242 -17.220 -6.505) 18.543 15.118 ( -2.894 -1.131 4.144) 5.179 15.232 ( 0.760 -1.661 -4.584) 4.935 15.438 ( 0.885 -0.705 0.277) 1.165 15.548 ( -5.344 0.511 1.687) 5.628 15.613 ( 7.005 -7.842 5.719) 11.970 15.782 ( 7.323 -3.064 2.899) 8.451 15.932 ( -2.762 -3.229 -0.786) 4.321 16.162 ( 5.804 -9.564 -11.678) 16.172 16.252 ( 3.702 -3.252 6.201) 7.920 16.393 ( 0.125 -6.266 0.967) 6.342 16.406 ( 2.872 -2.172 -7.627) 8.434 16.680 ( -0.577 -4.263 -1.717) 4.632 16.849 ( -12.260 -2.974 2.754) 12.912 16.930 ( 4.440 -6.040 -9.671) 12.236 16.985 ( -4.817 0.304 7.624) 9.024 17.355 ( -2.687 -0.204 6.130) 6.696 17.523 ( -3.214 -7.099 8.324) 11.403 17.712 ( -7.270 2.229 0.984) 7.668 17.831 ( -4.934 -2.497 1.506) 5.731 18.163 ( 0.498 5.796 6.890) 9.017 18.267 ( 1.021 0.144 -4.845) 4.953 18.366 ( 2.025 -2.646 2.223) 4.005 18.609 ( -1.762 -0.572 -3.250) 3.741 18.698 ( -2.271 2.377 -4.490) 5.565 18.744 ( -9.113 -12.936 -0.980) 15.854 18.801 ( 2.830 -0.199 -0.538) 2.888 19.070 ( 1.920 0.109 0.484) 1.983 19.196 ( -3.328 -1.466 -0.138) 3.639 19.364 ( 0.383 1.863 1.170) 2.233 19.428 ( 2.920 7.494 -6.357) 10.252 19.560 ( 5.733 2.104 -1.736) 6.348 19.770 ( -6.336 1.411 -3.867) 7.556 19.829 ( -2.395 3.446 0.663) 4.248 19.887 ( -0.295 -7.173 4.269) 8.352 19.983 ( 8.658 3.427 0.159) 9.313 20.211 ( 4.708 -2.088 -1.867) 5.478 20.336 ( 1.832 0.190 0.434) 1.892 20.993 ( 5.156 0.777 5.597) 7.650 21.198 ( 0.766 2.938 -0.634) 3.101 21.577 ( -3.475 -4.487 -2.840) 6.347 22.245 ( -11.474 -11.269 5.045) 16.855 22.758 ( 3.505 6.519 -2.753) 7.897 23.176 ( -4.779 -1.609 0.408) 5.059 23.214 ( 2.657 1.932 -0.250) 3.294 23.378 ( 1.709 1.188 3.989) 4.499 23.552 ( 11.273 0.921 -4.717) 12.254 23.602 ( -1.451 6.570 4.608) 8.155 23.929 ( -0.398 5.535 -4.946) 7.433 24.066 ( -0.812 2.043 -0.093) 2.201 24.628 ( -6.813 -3.370 -1.653) 7.779 24.861 ( -4.070 -7.254 1.021) 8.380 25.227 ( 10.844 6.173 0.948) 12.514 26.178 ( -3.661 2.444 0.392) 4.420 26.478 ( -0.042 -1.094 -0.153) 1.106 26.790 ( -0.856 -5.996 0.614) 6.088 ======================= Grid point 178 (81/95) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( -17.259 42.639 -6.048) 46.396 3.412 ( -16.250 34.005 1.042) 37.702 4.024 ( 0.857 44.477 11.228) 45.880 4.175 ( 9.572 38.824 -27.605) 48.590 5.235 ( 18.660 -11.000 18.919) 28.760 5.617 ( 31.030 -4.878 0.979) 31.426 6.172 ( 9.814 -1.487 9.276) 13.585 6.221 ( 0.768 9.760 12.793) 16.109 6.423 ( 15.924 -6.196 7.392) 18.617 6.594 ( 14.617 1.011 -8.592) 16.986 6.780 ( 17.155 -5.022 -8.183) 19.659 6.834 ( 4.011 15.754 0.547) 16.265 7.113 ( -3.807 3.173 -25.900) 26.370 7.252 ( 5.794 -2.479 13.615) 15.003 7.300 ( 12.481 8.929 8.347) 17.469 7.428 ( 6.292 1.536 1.187) 6.584 7.643 ( 5.583 11.329 2.836) 12.944 7.703 ( -5.353 9.141 2.272) 10.833 8.004 ( 2.102 9.443 0.290) 9.679 8.116 ( -9.377 22.828 -31.981) 40.396 8.302 ( -11.576 1.207 -3.830) 12.253 8.543 ( 7.456 0.666 2.415) 7.866 8.874 ( 2.749 5.251 8.000) 9.956 8.899 ( -3.073 -3.906 9.368) 10.605 9.116 ( 1.093 -2.889 -3.930) 4.998 9.223 ( 1.743 -2.039 2.409) 3.605 9.465 ( -5.882 -2.415 -2.113) 6.701 9.656 ( -8.978 -4.646 0.601) 10.127 9.783 ( -5.174 2.929 7.473) 9.549 9.856 ( -10.151 -1.189 2.812) 10.600 10.000 ( -4.770 10.337 -2.524) 11.661 10.047 ( -3.054 -6.444 -10.197) 12.443 10.268 ( -6.799 14.524 0.351) 16.041 10.455 ( -0.638 -0.756 1.455) 1.760 10.701 ( -17.196 4.307 -2.618) 17.919 10.798 ( 2.710 4.403 4.328) 6.742 11.077 ( -15.890 -5.447 -1.662) 16.880 11.192 ( -9.662 6.966 0.112) 11.912 11.249 ( -0.493 0.843 -6.174) 6.250 11.327 ( -4.997 6.634 10.525) 13.407 11.495 ( 2.804 1.613 0.036) 3.234 11.772 ( -1.206 14.279 5.453) 15.333 11.858 ( 2.732 16.720 -1.059) 16.975 11.999 ( -12.423 0.397 -0.445) 12.437 12.227 ( -13.620 -2.076 4.985) 14.652 12.326 ( 0.210 9.312 -3.765) 10.046 12.473 ( 2.073 9.403 1.341) 9.722 12.673 ( -12.635 0.458 -4.804) 13.525 12.748 ( -2.344 9.015 -0.187) 9.317 12.836 ( 0.504 10.856 -0.672) 10.888 12.930 ( -11.053 13.445 -3.485) 17.750 13.082 ( -5.374 13.111 5.958) 15.371 13.255 ( -4.349 14.863 -5.785) 16.531 13.387 ( -10.668 16.428 -9.833) 21.918 13.541 ( -0.414 15.103 -7.015) 16.658 13.604 ( 12.140 -5.404 11.921) 17.852 13.844 ( 6.630 2.593 2.143) 7.435 14.058 ( 5.904 -3.145 9.272) 11.433 14.289 ( 4.123 -9.103 1.126) 10.056 14.362 ( -5.492 -10.369 -8.553) 14.520 14.435 ( 10.192 -5.990 3.080) 12.216 14.564 ( 4.411 -9.651 1.621) 10.734 14.695 ( 3.668 -4.510 -1.623) 6.036 14.998 ( 0.544 0.762 0.567) 1.095 15.155 ( -4.426 -13.858 -4.726) 15.297 15.241 ( 1.321 -6.610 7.769) 10.285 15.302 ( 6.315 -6.877 -7.536) 11.999 15.462 ( -3.756 -2.015 5.682) 7.103 15.516 ( -2.512 -7.103 -2.372) 7.899 15.853 ( 11.708 -9.063 1.475) 14.879 15.932 ( -4.071 -7.690 -8.853) 12.414 16.121 ( 14.348 -7.027 6.001) 17.067 16.314 ( 9.965 -4.826 -8.053) 13.691 16.437 ( 0.452 -7.149 -7.932) 10.688 16.480 ( 15.128 -0.972 5.540) 16.139 16.565 ( 0.481 -11.182 -5.861) 12.634 16.735 ( -6.158 -11.080 1.880) 12.815 16.857 ( 2.632 -8.898 2.850) 9.707 17.035 ( 2.511 -9.440 5.628) 11.273 17.072 ( 0.334 -7.076 -2.176) 7.410 17.294 ( -3.250 0.150 4.325) 5.412 17.614 ( -9.285 -8.208 9.883) 15.851 17.694 ( 6.849 -0.800 8.460) 10.914 17.859 ( -3.474 -7.167 0.190) 7.967 18.079 ( -1.348 7.714 5.780) 9.733 18.166 ( -8.129 3.576 -6.656) 11.098 18.387 ( -1.218 3.721 -1.102) 4.067 18.527 ( -2.300 2.769 0.192) 3.605 18.649 ( -0.254 -4.247 -6.929) 8.131 18.840 ( -5.383 -14.012 -3.364) 15.382 18.879 ( 7.908 1.264 1.709) 8.189 19.078 ( -1.983 1.807 -0.388) 2.710 19.181 ( -2.182 -4.925 -1.975) 5.738 19.259 ( -4.220 6.945 -2.171) 8.412 19.318 ( -0.329 5.132 -5.526) 7.548 19.592 ( 4.321 1.767 -1.907) 5.043 19.637 ( -5.007 3.007 -1.216) 5.966 19.809 ( -2.448 -2.227 1.052) 3.473 19.990 ( 1.773 -3.105 5.532) 6.587 20.042 ( 7.650 5.301 0.117) 9.308 20.338 ( 5.190 -6.424 -3.149) 8.838 20.383 ( 3.599 -0.586 1.119) 3.814 21.046 ( 4.580 5.410 -0.066) 7.088 21.249 ( 0.069 -5.033 12.403) 13.386 21.560 ( 0.866 -2.113 -9.473) 9.744 22.258 ( -12.551 -10.959 3.813) 17.093 22.688 ( 3.609 6.780 -3.938) 8.631 23.094 ( -8.138 0.246 -0.031) 8.142 23.235 ( 2.816 1.455 0.784) 3.265 23.390 ( 2.614 6.658 6.473) 9.647 23.511 ( -1.143 2.193 -1.694) 2.997 23.667 ( 10.432 3.424 -2.585) 11.280 23.839 ( 1.505 7.868 0.888) 8.060 23.975 ( -5.720 1.520 -6.412) 8.726 24.527 ( -4.382 1.904 0.454) 4.800 24.842 ( -8.506 -1.254 1.202) 8.681 25.377 ( 12.912 0.490 2.924) 13.248 26.032 ( -7.321 6.159 -1.777) 9.730 26.548 ( 5.098 -4.959 -0.228) 7.116 26.894 ( -1.619 -9.092 1.914) 9.431 ======================= Grid point 179 (82/95) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -13.104 34.088 15.433) 39.647 2.707 ( -17.379 22.616 -23.485) 36.947 3.573 ( 6.204 44.215 34.485) 56.415 3.671 ( 17.407 39.551 -39.222) 58.358 5.318 ( -11.604 39.924 38.240) 56.488 5.884 ( -2.421 8.101 15.357) 17.531 6.137 ( -6.680 15.332 -15.280) 22.654 6.162 ( -0.394 10.849 -3.783) 11.496 6.329 ( 3.219 -2.308 -3.095) 5.027 6.585 ( -6.393 -1.541 -20.417) 21.450 6.756 ( 5.835 7.029 -0.254) 9.139 6.872 ( 3.891 -0.937 -5.021) 6.421 7.214 ( 15.980 4.127 -5.973) 17.552 7.295 ( 6.581 -5.186 -3.523) 9.089 7.350 ( 4.746 -3.162 -2.813) 6.359 7.541 ( -3.174 1.594 7.136) 7.971 7.597 ( 11.184 -10.309 1.609) 15.295 7.766 ( 20.206 -2.525 -2.404) 20.505 7.964 ( 21.395 -0.168 -2.404) 21.530 8.132 ( 1.528 -2.577 0.656) 3.068 8.222 ( -6.597 -3.012 5.275) 8.968 8.657 ( 2.789 -0.878 -0.892) 3.057 8.865 ( 1.741 4.777 10.185) 11.384 8.892 ( -13.791 -0.082 1.968) 13.931 9.132 ( 5.034 -4.184 2.110) 6.878 9.307 ( -2.964 -4.575 0.260) 5.458 9.382 ( -14.716 -5.406 -4.419) 16.289 9.422 ( -5.754 -0.033 -1.317) 5.903 9.571 ( -16.035 10.951 4.580) 19.950 9.738 ( -19.223 -8.332 -9.539) 23.021 9.838 ( 9.373 5.288 5.773) 12.212 10.065 ( 4.243 0.702 -2.655) 5.054 10.134 ( 6.115 5.517 3.312) 8.877 10.352 ( -15.264 2.981 -8.851) 17.895 10.534 ( 6.722 1.944 4.499) 8.319 10.770 ( -9.086 1.516 -0.746) 9.242 10.894 ( -1.298 8.739 -0.350) 8.842 10.974 ( -7.850 7.362 3.882) 11.441 11.149 ( -2.607 10.041 3.679) 11.007 11.220 ( 3.327 15.743 7.325) 17.680 11.461 ( 0.463 11.526 -11.758) 16.471 11.522 ( -7.291 16.098 2.460) 17.842 11.651 ( -0.598 10.658 5.235) 11.889 11.818 ( -10.498 4.921 4.091) 12.294 12.082 ( -2.568 8.108 4.222) 9.495 12.174 ( -4.562 7.450 0.722) 8.766 12.348 ( 1.817 15.537 -0.986) 15.674 12.443 ( -6.624 7.134 -4.829) 10.867 12.515 ( -5.524 8.992 -1.593) 10.673 12.579 ( -8.812 12.042 -6.058) 16.104 12.681 ( 1.486 12.867 -3.361) 13.382 12.810 ( -6.042 16.582 6.507) 18.810 12.953 ( -2.555 12.961 -4.119) 13.837 13.027 ( -8.169 12.688 -4.296) 15.690 13.428 ( 7.321 2.878 -3.720) 8.702 13.667 ( -2.891 3.072 -1.477) 4.470 13.875 ( 6.892 2.332 -0.485) 7.292 14.137 ( -14.002 -10.309 -7.196) 18.818 14.350 ( 10.575 -4.410 7.758) 13.838 14.615 ( -3.230 -7.399 1.780) 8.267 14.747 ( 10.445 -9.913 4.305) 15.030 14.798 ( 7.337 -8.780 0.919) 11.478 14.936 ( 8.414 -10.332 9.537) 16.386 15.107 ( 10.314 -13.332 -4.643) 17.484 15.198 ( -1.381 -5.918 -9.190) 11.017 15.325 ( -3.464 -5.534 7.963) 10.297 15.412 ( -1.688 -3.384 1.959) 4.259 15.525 ( -2.725 -5.090 -2.884) 6.453 15.581 ( 2.533 -8.669 12.673) 15.562 15.906 ( -6.887 -4.653 -9.946) 12.961 16.134 ( 12.583 -4.210 -10.065) 16.654 16.288 ( 8.434 1.530 2.147) 8.836 16.425 ( -1.544 0.043 -11.722) 11.823 16.491 ( 2.051 -2.732 3.247) 4.713 16.637 ( -9.640 -14.045 -4.236) 17.554 16.734 ( -9.663 -11.698 2.870) 15.442 16.849 ( 19.710 -7.536 10.086) 23.388 17.071 ( 11.154 1.011 8.114) 13.830 17.213 ( 4.236 -7.946 -3.298) 9.590 17.281 ( 5.959 -13.994 -10.191) 18.308 17.460 ( 1.032 -17.579 10.303) 20.402 17.618 ( -9.291 -1.843 8.102) 12.465 17.835 ( 3.460 -4.932 1.029) 6.112 17.892 ( -6.976 10.708 -3.903) 13.363 17.914 ( -3.874 -8.005 4.308) 9.881 18.040 ( -1.170 -1.241 0.867) 1.914 18.296 ( -2.122 1.402 -0.814) 2.671 18.458 ( -6.607 -0.547 -4.339) 7.923 18.726 ( 6.467 0.344 -0.603) 6.504 18.892 ( -1.492 -2.339 -7.796) 8.275 18.935 ( -0.957 0.877 -2.445) 2.769 18.974 ( -8.492 3.717 -0.250) 9.273 19.091 ( 9.596 9.136 0.524) 13.260 19.265 ( -0.576 -1.277 2.355) 2.740 19.318 ( 2.403 -7.277 -0.010) 7.663 19.508 ( -7.837 -0.016 -1.693) 8.018 19.654 ( 4.970 -2.189 0.242) 5.436 19.810 ( -4.829 -4.595 0.277) 6.671 20.058 ( 3.437 1.201 0.249) 3.649 20.066 ( 2.369 1.097 1.417) 2.971 20.427 ( 5.235 0.501 -4.359) 6.830 20.474 ( 0.168 -3.485 4.496) 5.692 21.025 ( 6.256 5.076 -2.604) 8.466 21.257 ( -10.533 0.656 6.733) 12.518 21.720 ( 15.551 -7.910 -3.687) 17.832 22.192 ( -15.197 -6.105 -1.495) 16.446 22.695 ( 6.245 0.031 0.355) 6.255 22.946 ( -10.406 0.952 -0.981) 10.495 23.253 ( 3.034 2.680 1.171) 4.214 23.315 ( 1.651 7.610 -1.263) 7.889 23.500 ( 0.001 3.357 8.023) 8.697 23.656 ( -0.686 12.044 -1.224) 12.125 23.757 ( 5.033 4.111 -6.245) 9.013 23.860 ( -4.816 0.488 -2.734) 5.560 24.503 ( 3.304 0.847 1.018) 3.559 24.709 ( -9.359 1.631 1.047) 9.558 25.530 ( 9.048 3.049 4.670) 10.629 25.812 ( -8.038 7.348 -3.803) 11.535 26.755 ( 10.237 -8.730 -0.768) 13.476 26.991 ( -5.509 -9.813 3.037) 11.657 ======================= Grid point 180 (83/95) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -2.368 1.176 -49.466) 49.536 2.206 ( 2.368 1.176 49.466) 49.536 3.174 ( 11.110 34.988 -46.979) 59.621 3.174 ( -11.110 34.988 46.979) 59.621 4.786 ( -12.819 53.512 -60.609) 81.862 4.786 ( 12.819 53.512 60.609) 81.862 6.246 ( -0.099 5.867 -2.263) 6.289 6.246 ( 0.099 5.867 2.263) 6.289 6.374 ( -7.132 -5.956 -18.987) 21.139 6.374 ( 7.132 -5.956 18.987) 21.139 6.799 ( -6.708 2.576 -6.019) 9.374 6.799 ( 6.708 2.576 6.019) 9.374 7.350 ( -5.290 -5.796 1.385) 7.969 7.350 ( 5.290 -5.796 -1.385) 7.969 7.593 ( 5.749 -12.486 -4.238) 14.384 7.593 ( -5.749 -12.486 4.238) 14.384 7.984 ( -18.043 3.214 0.855) 18.347 7.984 ( 18.043 3.214 -0.855) 18.347 8.100 ( -13.975 -13.002 -2.044) 19.197 8.100 ( 13.975 -13.002 2.044) 19.197 8.373 ( -27.474 2.572 -6.754) 28.409 8.373 ( 27.474 2.572 6.754) 28.409 8.921 ( 1.945 -6.081 -2.258) 6.772 8.921 ( -1.945 -6.081 2.258) 6.772 9.221 ( -2.114 0.466 -2.262) 3.131 9.221 ( 2.114 0.466 2.262) 3.131 9.412 ( -0.662 -6.529 -3.499) 7.437 9.412 ( 0.662 -6.529 3.499) 7.437 9.578 ( -10.860 -6.905 -4.344) 13.583 9.578 ( 10.860 -6.905 4.344) 13.583 10.046 ( -13.365 -2.943 -11.861) 18.110 10.046 ( 13.365 -2.943 11.861) 18.110 10.124 ( 2.731 4.314 -3.939) 6.448 10.124 ( -2.731 4.314 3.939) 6.448 10.603 ( 4.944 6.312 -2.102) 8.289 10.603 ( -4.944 6.312 2.102) 8.289 10.742 ( -1.475 15.412 -8.343) 17.587 10.742 ( 1.475 15.412 8.343) 17.587 10.932 ( 5.205 17.540 -9.027) 20.402 10.932 ( -5.205 17.540 9.027) 20.402 11.288 ( 0.445 8.759 -13.862) 16.403 11.288 ( -0.445 8.759 13.862) 16.403 11.586 ( -3.656 8.040 -6.806) 11.150 11.586 ( 3.656 8.040 6.806) 11.150 11.952 ( -3.554 13.532 -9.090) 16.685 11.952 ( 3.554 13.532 9.090) 16.685 12.116 ( 2.765 20.657 -5.182) 21.476 12.116 ( -2.765 20.657 5.182) 21.476 12.364 ( -0.370 10.213 -3.296) 10.738 12.364 ( 0.370 10.213 3.296) 10.738 12.595 ( 3.529 7.228 -6.943) 10.626 12.595 ( -3.529 7.228 6.943) 10.626 12.839 ( 3.207 -0.248 -8.634) 9.214 12.839 ( -3.207 -0.248 8.634) 9.214 13.515 ( -3.982 2.596 -4.665) 6.660 13.515 ( 3.982 2.596 4.665) 6.660 14.073 ( -11.405 -7.857 -4.210) 14.475 14.073 ( 11.405 -7.857 4.210) 14.475 14.587 ( -7.784 -5.580 -7.864) 12.393 14.587 ( 7.784 -5.580 7.864) 12.393 14.975 ( -3.826 -7.990 1.156) 8.934 14.975 ( 3.826 -7.990 -1.156) 8.934 15.188 ( -5.295 -6.063 -10.264) 13.044 15.188 ( 5.295 -6.063 10.264) 13.044 15.329 ( 3.929 -2.501 -10.529) 11.513 15.329 ( -3.929 -2.501 10.529) 11.513 15.554 ( 3.838 -8.909 -9.533) 13.601 15.554 ( -3.838 -8.909 9.533) 13.601 15.792 ( -7.959 0.539 -5.016) 9.424 15.792 ( 7.959 0.539 5.016) 9.424 16.268 ( -1.966 1.969 -14.750) 15.010 16.268 ( 1.966 1.969 14.750) 15.010 16.482 ( -13.822 -10.560 -0.741) 17.410 16.482 ( 13.822 -10.560 0.741) 17.410 16.828 ( -1.336 -12.674 -1.971) 12.896 16.828 ( 1.336 -12.674 1.971) 12.896 17.198 ( -3.495 4.201 -20.834) 21.539 17.198 ( 3.495 4.201 20.834) 21.539 17.284 ( -18.545 -5.930 -9.447) 21.641 17.284 ( 18.545 -5.930 9.447) 21.641 17.615 ( -3.912 -6.400 -4.630) 8.815 17.615 ( 3.912 -6.400 4.630) 8.815 17.905 ( -6.162 -7.105 -11.229) 14.647 17.905 ( 6.162 -7.105 11.229) 14.647 18.011 ( -1.111 -0.636 -10.291) 10.371 18.011 ( 1.111 -0.636 10.291) 10.371 18.329 ( -5.853 -0.134 -4.898) 7.634 18.329 ( 5.853 -0.134 4.898) 7.634 18.766 ( -1.465 6.938 -6.412) 9.560 18.766 ( 1.465 6.938 6.412) 9.560 18.874 ( -1.156 2.397 -4.685) 5.388 18.874 ( 1.156 2.397 4.685) 5.388 19.147 ( -10.119 7.770 -2.166) 12.941 19.147 ( 10.119 7.770 2.166) 12.941 19.499 ( -5.001 -9.164 -0.420) 10.448 19.499 ( 5.001 -9.164 0.420) 10.448 19.808 ( -5.146 -7.040 -1.164) 8.798 19.808 ( 5.146 -7.040 1.164) 8.798 20.079 ( 0.843 -0.814 -2.168) 2.464 20.079 ( -0.843 -0.814 2.168) 2.464 20.464 ( 3.859 1.888 -5.835) 7.245 20.464 ( -3.859 1.888 5.835) 7.245 21.089 ( 2.394 2.538 -7.266) 8.060 21.089 ( -2.394 2.538 7.266) 8.060 22.034 ( -11.319 -3.779 -1.261) 12.000 22.034 ( 11.319 -3.779 1.261) 12.000 22.832 ( -4.290 -4.449 -3.747) 7.228 22.832 ( 4.290 -4.449 3.747) 7.228 23.240 ( -0.198 3.929 -1.108) 4.087 23.240 ( 0.198 3.929 1.108) 4.087 23.433 ( -0.611 10.713 -4.252) 11.542 23.433 ( 0.611 10.713 4.252) 11.542 23.773 ( 3.874 1.992 -2.063) 4.819 23.773 ( -3.874 1.992 2.063) 4.819 24.579 ( -3.267 0.335 -2.700) 4.251 24.579 ( 3.267 0.335 2.700) 4.251 25.590 ( -2.435 6.296 -11.783) 13.579 25.590 ( 2.435 6.296 11.783) 13.579 27.027 ( 2.227 -8.674 -6.121) 10.847 27.027 ( -2.227 -8.674 6.121) 10.847 ======================= Grid point 184 (84/95) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 58.815 -0.000 11.746) 59.977 3.275 ( 28.008 -0.000 23.561) 36.600 3.690 ( 50.429 -0.000 -15.780) 52.841 5.152 ( 38.944 -0.000 30.766) 49.630 5.266 ( 42.946 -0.000 -21.085) 47.843 5.427 ( -0.931 0.000 -29.821) 29.836 5.957 ( 10.509 -0.000 -15.787) 18.965 6.547 ( 7.419 -0.000 0.382) 7.429 6.590 ( -9.262 0.000 4.844) 10.452 6.791 ( -3.543 0.000 0.734) 3.619 6.851 ( 4.145 -0.000 7.194) 8.302 6.871 ( 15.409 -0.000 -1.286) 15.463 7.386 ( -4.090 0.000 -6.596) 7.761 7.416 ( -5.738 0.000 -7.855) 9.728 7.537 ( -3.251 0.000 -10.450) 10.944 7.559 ( 5.714 -0.000 9.677) 11.238 7.869 ( 6.893 -0.000 -5.212) 8.642 7.907 ( 9.536 -0.000 9.642) 13.561 8.016 ( 23.298 -0.000 34.040) 41.250 8.209 ( 13.429 -0.000 8.184) 15.727 8.313 ( 1.268 -0.000 -7.430) 7.537 8.364 ( -8.984 0.000 -11.909) 14.918 8.520 ( -1.735 0.000 6.642) 6.865 8.749 ( 8.639 -0.000 2.844) 9.095 8.996 ( 0.515 -0.000 4.038) 4.071 9.247 ( 8.134 -0.000 6.138) 10.190 9.343 ( 3.350 -0.000 2.649) 4.271 9.590 ( 1.198 -0.000 0.182) 1.212 9.682 ( 4.575 -0.000 3.398) 5.699 9.874 ( 4.876 -0.000 -2.601) 5.526 9.967 ( -0.171 0.000 2.526) 2.532 9.993 ( 5.353 -0.000 -3.611) 6.457 10.177 ( 1.427 -0.000 -8.118) 8.243 10.241 ( 1.864 -0.000 6.918) 7.165 10.399 ( 1.059 -0.000 -19.519) 19.547 10.827 ( 5.373 -0.000 -15.700) 16.594 10.923 ( 0.510 -0.000 -4.159) 4.190 11.043 ( 5.499 -0.000 -9.127) 10.656 11.149 ( -0.934 0.000 -4.641) 4.734 11.183 ( -6.084 0.000 -1.461) 6.257 11.511 ( -0.416 0.000 8.490) 8.500 11.637 ( 3.777 -0.000 5.535) 6.701 11.858 ( 20.912 -0.000 0.974) 20.935 12.064 ( 16.599 -0.000 -2.650) 16.809 12.132 ( -1.147 0.000 4.072) 4.231 12.189 ( 4.951 -0.000 -1.628) 5.212 12.314 ( 11.257 -0.000 1.911) 11.418 12.553 ( 3.294 -0.000 5.072) 6.048 12.599 ( 22.324 -0.000 -4.961) 22.869 12.735 ( 18.101 -0.000 -4.321) 18.610 12.895 ( 4.092 -0.000 -8.895) 9.791 13.077 ( 28.888 -0.000 17.387) 33.717 13.311 ( 5.806 -0.000 10.286) 11.812 13.385 ( -1.229 0.000 15.059) 15.109 13.435 ( 11.187 -0.000 3.825) 11.822 13.672 ( 11.607 -0.000 0.263) 11.610 13.801 ( 7.703 -0.000 3.548) 8.481 14.165 ( -18.975 0.000 -10.473) 21.674 14.167 ( 2.431 -0.000 -9.316) 9.628 14.348 ( -4.719 0.000 5.671) 7.377 14.503 ( -20.644 0.000 5.019) 21.245 14.703 ( -9.673 0.000 -7.247) 12.087 15.020 ( -11.958 0.000 -4.084) 12.636 15.055 ( -13.653 0.000 -15.540) 20.685 15.059 ( 0.508 -0.000 17.029) 17.036 15.370 ( -10.532 0.000 6.230) 12.237 15.407 ( -4.300 0.000 -0.729) 4.361 15.554 ( 1.697 -0.000 4.166) 4.498 15.616 ( -11.012 0.000 -0.481) 11.023 15.697 ( -14.422 0.000 -5.159) 15.317 15.918 ( 0.980 -0.000 -11.223) 11.266 16.021 ( 9.818 -0.000 11.871) 15.405 16.257 ( -2.645 0.000 2.834) 3.877 16.387 ( -19.107 0.000 -2.778) 19.307 16.531 ( -8.135 0.000 2.143) 8.412 16.786 ( -6.723 0.000 -2.577) 7.200 16.890 ( -10.970 0.000 -13.602) 17.474 17.105 ( -14.663 0.000 -5.024) 15.500 17.326 ( -6.307 0.000 -4.260) 7.611 17.430 ( -19.008 0.000 3.872) 19.398 17.480 ( -6.514 0.000 4.196) 7.748 17.538 ( -7.344 0.000 4.205) 8.463 17.699 ( -4.726 0.000 -5.216) 7.039 17.739 ( 2.081 -0.000 4.209) 4.695 17.981 ( 6.988 -0.000 8.375) 10.908 18.272 ( -5.481 0.000 -4.288) 6.959 18.414 ( 2.376 -0.000 -5.029) 5.562 18.436 ( -2.180 0.000 10.755) 10.974 18.538 ( 5.798 -0.000 -4.905) 7.595 18.735 ( -0.823 0.000 -4.189) 4.270 18.810 ( -1.978 0.000 6.441) 6.738 18.944 ( -4.083 0.000 -6.478) 7.657 19.030 ( -0.369 0.000 -1.573) 1.616 19.197 ( 5.840 -0.000 14.120) 15.280 19.410 ( -6.925 0.000 -3.272) 7.659 19.442 ( 3.470 -0.000 0.855) 3.573 19.648 ( 5.886 -0.000 -2.585) 6.429 19.900 ( 2.159 -0.000 5.510) 5.918 20.036 ( 0.146 -0.000 -0.346) 0.375 20.093 ( 1.477 -0.000 -6.384) 6.553 20.363 ( -4.419 0.000 -6.003) 7.454 20.477 ( -1.511 0.000 2.343) 2.788 21.117 ( 7.165 -0.000 8.160) 10.859 21.259 ( -3.150 0.000 -10.077) 10.558 21.655 ( -7.708 0.000 10.251) 12.826 21.904 ( -11.773 0.000 -6.891) 13.641 22.810 ( 4.867 -0.000 -2.021) 5.270 22.958 ( 8.443 -0.000 7.391) 11.221 23.288 ( -0.784 0.000 -3.282) 3.374 23.372 ( -0.017 0.000 -1.365) 1.365 23.514 ( 2.271 -0.000 -5.850) 6.275 23.647 ( 10.110 -0.000 3.993) 10.870 23.945 ( -1.258 0.000 6.500) 6.620 24.070 ( 7.902 -0.000 6.984) 10.546 24.366 ( -1.561 0.000 -5.753) 5.961 24.613 ( -0.868 0.000 -1.095) 1.397 25.514 ( 7.724 -0.000 -13.441) 15.503 25.955 ( 6.695 -0.000 8.282) 10.650 26.688 ( -7.588 0.000 9.926) 12.494 26.806 ( -9.473 0.000 -10.035) 13.800 ======================= Grid point 185 (85/95) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( 31.770 -2.732 8.094) 32.898 4.039 ( 54.320 -11.239 12.956) 56.963 4.300 ( 50.413 5.651 -0.474) 50.731 5.218 ( 8.979 15.620 -18.632) 25.918 5.533 ( 11.402 13.857 -7.454) 19.432 5.718 ( 26.548 4.117 12.236) 29.520 6.093 ( 8.965 17.634 9.988) 22.160 6.553 ( 5.467 14.832 -5.411) 16.708 6.569 ( 20.108 2.415 -4.780) 20.809 6.687 ( -0.988 3.901 -2.413) 4.692 6.862 ( 6.976 11.067 -0.588) 13.095 6.977 ( 7.209 10.770 -2.604) 13.220 7.164 ( 8.971 15.234 -6.514) 18.841 7.371 ( 0.715 4.235 -3.104) 5.299 7.464 ( 8.902 -3.728 -11.737) 15.196 7.719 ( 7.254 -3.141 0.668) 7.933 7.925 ( 10.331 11.054 -0.557) 15.140 8.028 ( 4.816 -3.160 -3.053) 6.519 8.147 ( 0.384 7.482 -5.600) 9.354 8.249 ( 8.271 6.237 0.797) 10.390 8.476 ( 7.574 -4.046 2.155) 8.853 8.543 ( 4.667 -2.559 15.250) 16.152 8.668 ( 17.311 -5.140 11.124) 21.209 8.994 ( 19.276 -5.954 12.696) 23.837 9.109 ( 2.604 1.690 8.590) 9.133 9.241 ( -5.643 -5.523 1.510) 8.039 9.530 ( 3.481 -0.071 -4.274) 5.513 9.546 ( 1.749 -4.216 1.320) 4.752 9.681 ( -0.101 5.485 -1.360) 5.652 9.992 ( -4.033 -6.851 -0.520) 7.967 10.017 ( -6.317 -10.838 2.740) 12.840 10.125 ( 7.289 2.535 -0.417) 7.728 10.271 ( 3.127 -2.222 4.873) 6.202 10.353 ( 15.055 -7.048 -13.700) 21.541 10.425 ( 7.670 -7.848 2.617) 11.281 10.898 ( 0.847 -9.674 -5.588) 11.204 10.982 ( 2.410 -0.576 -7.953) 8.330 11.009 ( 2.839 -3.654 -4.871) 6.719 11.036 ( -4.910 -3.161 -1.085) 5.939 11.164 ( 0.731 -8.065 -6.205) 10.202 11.561 ( 1.306 3.234 8.267) 8.973 11.696 ( 3.942 -0.857 2.308) 4.647 12.060 ( 7.241 1.006 1.886) 7.550 12.202 ( -0.524 1.193 -4.175) 4.373 12.224 ( 5.437 -1.804 -2.327) 6.183 12.292 ( 6.548 -9.640 -0.156) 11.654 12.475 ( 5.480 -0.309 -2.724) 6.127 12.624 ( 4.937 -3.719 0.931) 6.251 12.802 ( 6.280 -2.500 -5.158) 8.503 12.999 ( 15.300 -5.888 -1.946) 16.509 13.056 ( 2.365 2.396 -2.899) 4.443 13.109 ( 1.566 1.274 -8.100) 8.348 13.437 ( 2.750 2.474 21.840) 22.151 13.535 ( 3.795 -3.837 3.130) 6.239 13.538 ( 5.305 -0.482 0.203) 5.331 13.853 ( 8.682 1.769 5.352) 10.351 13.899 ( 3.287 3.149 0.195) 4.556 13.998 ( 3.979 -2.524 -7.045) 8.475 14.125 ( 2.037 5.894 -5.305) 8.187 14.274 ( -5.528 1.009 9.371) 10.927 14.408 ( 1.003 -0.632 17.246) 17.286 14.611 ( -3.762 3.335 2.737) 5.724 14.758 ( -9.610 -6.508 -7.275) 13.698 14.929 ( -3.996 3.925 -5.766) 8.038 15.105 ( -3.291 1.613 7.283) 8.153 15.181 ( -11.176 3.899 0.507) 11.847 15.338 ( -7.404 -0.030 -4.704) 8.772 15.443 ( -9.625 -0.802 4.383) 10.607 15.559 ( -7.070 -1.133 -4.280) 8.342 15.585 ( -8.853 -5.729 2.781) 10.905 15.749 ( -7.812 4.440 -15.229) 17.682 15.948 ( -16.982 8.796 4.001) 19.539 16.165 ( -8.653 3.422 2.666) 9.680 16.250 ( -11.226 -0.772 1.904) 11.412 16.454 ( 3.151 -3.789 5.050) 7.056 16.577 ( -9.537 10.014 -2.703) 14.090 16.687 ( -8.904 -2.564 -10.012) 13.642 16.804 ( -12.964 4.795 -7.320) 15.641 17.098 ( -21.843 3.641 9.996) 24.296 17.261 ( -10.661 -5.233 -0.999) 11.918 17.354 ( -2.866 5.008 0.166) 5.773 17.454 ( -5.883 -0.544 -9.054) 10.811 17.649 ( -6.696 -1.302 3.504) 7.669 17.784 ( -4.586 -7.990 4.147) 10.103 18.158 ( -1.392 2.378 -0.201) 2.762 18.243 ( 15.529 -1.273 6.354) 16.827 18.393 ( 1.039 2.693 0.462) 2.924 18.505 ( -2.886 -4.833 3.690) 6.731 18.623 ( 3.106 -2.427 -3.780) 5.461 18.671 ( -2.838 5.873 3.652) 7.475 18.787 ( 3.163 -1.101 -6.216) 7.061 18.944 ( -0.006 -6.081 -4.261) 7.426 19.124 ( 9.296 -0.660 1.553) 9.448 19.290 ( 0.559 -3.918 0.455) 3.984 19.383 ( 1.475 -1.315 6.220) 6.526 19.497 ( 2.324 -2.283 -0.221) 3.265 19.703 ( 2.501 1.755 0.663) 3.127 19.912 ( -3.509 1.560 -1.792) 4.237 20.023 ( 4.676 4.616 -0.997) 6.646 20.109 ( 3.851 -0.540 -1.286) 4.096 20.286 ( -4.783 -0.270 -3.506) 5.937 20.383 ( -3.859 4.962 -3.471) 7.181 21.113 ( -2.995 5.402 0.503) 6.197 21.280 ( 0.516 -6.613 2.763) 7.186 21.515 ( -2.961 8.535 0.397) 9.043 21.867 ( -8.446 -12.011 0.240) 14.685 22.875 ( 6.958 1.732 0.265) 7.175 23.127 ( 9.197 0.983 6.201) 11.136 23.289 ( 0.627 -2.352 -1.785) 3.018 23.336 ( -1.839 1.471 -2.835) 3.686 23.462 ( 2.564 4.014 -3.537) 5.932 23.842 ( -2.895 -4.571 5.854) 7.972 23.960 ( 8.708 -0.841 4.232) 9.718 24.149 ( 2.325 1.312 -3.037) 4.044 24.306 ( -0.611 1.959 -0.717) 2.174 24.641 ( -4.285 -7.223 -1.253) 8.491 25.522 ( 7.132 5.980 -8.692) 12.735 26.098 ( 4.698 -3.105 5.835) 8.109 26.552 ( -5.606 5.223 1.946) 7.906 26.714 ( -8.096 -4.778 -1.830) 9.577 ======================= Grid point 186 (86/95) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.271 ( 26.616 -2.931 2.747) 26.917 4.883 ( 25.856 1.019 5.374) 26.428 4.922 ( 49.088 6.710 2.600) 49.613 4.981 ( 8.369 20.080 -6.631) 22.743 5.366 ( 19.969 29.191 4.946) 35.712 5.865 ( 11.431 23.792 1.400) 26.433 5.985 ( 4.793 10.243 -5.248) 12.467 6.220 ( 1.370 23.108 2.095) 23.243 6.407 ( 23.536 26.458 5.223) 35.795 6.675 ( 7.325 16.299 -4.482) 18.423 6.788 ( 13.672 12.769 -1.174) 18.745 6.971 ( 2.772 6.271 -2.276) 7.224 7.360 ( 8.088 6.653 -8.978) 13.794 7.439 ( 20.539 1.504 7.295) 21.848 7.609 ( 15.708 3.393 -8.819) 18.331 7.723 ( 6.141 9.790 -2.778) 11.886 8.036 ( 21.527 6.008 -1.757) 22.419 8.094 ( 0.027 -8.116 -0.864) 8.162 8.177 ( 10.876 1.412 -7.181) 13.109 8.264 ( 6.484 8.892 1.475) 11.103 8.514 ( -0.748 3.169 4.837) 5.830 8.767 ( 5.908 -3.631 17.056) 18.412 8.863 ( 8.523 -3.138 -2.677) 9.469 9.014 ( -3.328 5.082 1.405) 6.235 9.215 ( 3.381 12.607 -2.901) 13.372 9.355 ( -0.361 -12.326 -0.554) 12.344 9.532 ( 3.226 5.335 0.034) 6.234 9.576 ( 3.009 6.894 -0.077) 7.522 9.709 ( 0.109 -6.816 3.356) 7.598 9.936 ( -9.633 -4.632 4.880) 11.750 10.023 ( -9.952 -4.083 0.623) 10.775 10.114 ( -3.272 -0.094 -1.172) 3.477 10.326 ( -0.961 -0.555 9.696) 9.759 10.589 ( 6.409 -4.475 -18.670) 20.241 10.611 ( 0.650 -5.062 4.754) 6.975 10.870 ( 1.543 1.900 -5.585) 6.097 11.015 ( -7.827 -14.556 0.341) 16.530 11.177 ( 5.786 -6.510 0.048) 8.710 11.332 ( 5.832 -10.306 1.322) 11.915 11.446 ( 1.562 0.495 7.047) 7.235 11.484 ( 12.045 -16.822 -0.740) 20.703 11.817 ( 5.311 6.105 -0.283) 8.097 11.993 ( -12.878 1.593 -11.243) 17.169 12.095 ( -4.159 3.871 -0.021) 5.682 12.179 ( 4.895 5.658 -0.382) 7.492 12.480 ( 0.962 -4.308 1.535) 4.673 12.496 ( 0.325 -2.505 -5.891) 6.410 12.713 ( -1.028 -4.107 -0.254) 4.241 12.852 ( 10.123 -2.843 -2.419) 10.789 12.992 ( 4.943 -4.977 2.273) 7.374 13.218 ( 2.795 2.175 -8.526) 9.232 13.235 ( -0.835 -2.721 8.643) 9.099 13.515 ( 0.243 -0.702 11.567) 11.591 13.576 ( 3.805 2.377 2.460) 5.116 13.656 ( 2.257 -1.143 -1.581) 2.983 13.858 ( 1.670 -3.558 -3.088) 4.999 14.008 ( 5.701 -1.649 -0.896) 6.002 14.067 ( 6.531 -2.109 7.583) 10.228 14.156 ( 3.924 -10.565 -3.437) 11.783 14.183 ( -15.091 6.314 2.727) 16.584 14.391 ( -2.954 -0.605 6.525) 7.188 14.595 ( -5.139 4.342 8.127) 10.550 14.708 ( -6.797 8.925 -3.344) 11.706 14.746 ( -16.120 8.585 -2.055) 18.378 14.857 ( 5.823 13.608 -4.407) 15.443 15.154 ( 5.554 -2.904 -3.476) 7.167 15.189 ( -6.366 -0.316 -7.717) 10.009 15.364 ( -5.757 -2.393 3.499) 7.149 15.460 ( -2.781 0.028 3.808) 4.715 15.573 ( -6.626 -13.671 -2.345) 15.372 15.657 ( -2.144 -1.994 -2.039) 3.568 15.695 ( -11.139 -4.404 0.114) 11.978 15.984 ( -10.978 1.513 -3.048) 11.493 16.098 ( -11.217 -2.413 4.150) 12.201 16.383 ( 1.156 4.068 -2.893) 5.124 16.476 ( -18.197 -7.286 -10.888) 22.422 16.612 ( -12.906 -2.395 -4.591) 13.906 16.655 ( 11.827 1.396 2.472) 12.163 16.905 ( -3.069 3.237 13.172) 13.906 17.182 ( -5.186 3.018 -1.568) 6.202 17.295 ( -5.964 -4.800 5.751) 9.575 17.308 ( -6.350 0.989 -6.118) 8.873 17.584 ( -9.362 -5.517 4.819) 11.887 17.922 ( -0.833 -12.396 5.444) 13.565 18.072 ( -2.235 6.539 -3.806) 7.889 18.361 ( -0.357 1.463 2.643) 3.042 18.455 ( 6.996 -0.919 -1.319) 7.179 18.471 ( -2.345 5.903 1.773) 6.595 18.562 ( -5.127 1.608 4.020) 6.711 18.685 ( 3.190 -2.378 -1.252) 4.171 18.872 ( 7.768 0.785 -3.393) 8.513 19.004 ( 0.885 -3.552 -1.829) 4.092 19.263 ( 8.739 1.449 -0.949) 8.909 19.370 ( 2.356 -3.213 -1.980) 4.449 19.462 ( 2.297 -2.302 -0.972) 3.394 19.601 ( 0.145 -8.978 3.152) 9.516 19.691 ( 1.934 4.022 3.928) 5.945 19.787 ( -5.968 2.169 -6.091) 8.799 19.957 ( -2.443 5.182 -4.585) 7.338 20.156 ( 1.474 6.656 0.143) 6.819 20.202 ( 3.803 -0.651 -0.943) 3.971 20.330 ( 1.303 -0.038 -2.792) 3.081 21.020 ( -3.790 1.798 8.254) 9.259 21.366 ( -4.591 -0.237 -2.397) 5.185 21.391 ( 3.920 0.655 -3.032) 4.999 21.927 ( -8.714 -10.844 5.083) 14.811 22.941 ( 7.886 4.736 0.431) 9.209 23.185 ( 1.433 2.899 2.396) 4.025 23.267 ( -0.900 2.457 -1.113) 2.844 23.346 ( 1.517 -1.961 -0.356) 2.505 23.530 ( 9.540 -2.288 -0.402) 9.819 23.753 ( -6.192 4.046 1.551) 7.558 24.074 ( 0.885 2.596 -3.610) 4.534 24.193 ( 5.837 4.645 3.809) 8.376 24.325 ( -0.833 -12.053 -1.857) 12.224 24.641 ( -9.448 -7.618 -1.478) 12.226 25.496 ( 9.769 9.907 -3.082) 14.251 26.185 ( -0.574 -1.561 3.376) 3.763 26.466 ( -1.916 0.778 0.626) 2.160 26.666 ( -5.432 -3.578 -0.986) 6.579 ======================= Grid point 187 (87/95) ======================= q-point: (-0.44 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.317 ( -0.836 32.735 -1.485) 32.779 4.610 ( -7.427 43.801 3.291) 44.548 4.872 ( 16.830 5.569 5.384) 18.527 5.251 ( 18.427 29.934 -11.201) 36.893 5.358 ( 23.580 32.508 7.868) 40.923 5.687 ( 25.944 14.571 1.551) 29.796 6.148 ( 27.678 -5.890 1.499) 28.337 6.245 ( 9.726 0.775 6.102) 11.508 6.502 ( 17.438 9.969 -6.909) 21.241 6.692 ( 21.388 6.825 -3.373) 22.702 6.855 ( 10.747 12.381 -0.511) 16.403 6.901 ( 18.643 5.201 -7.954) 20.926 7.255 ( 1.036 9.636 -8.172) 12.677 7.584 ( 9.790 13.414 9.253) 19.010 7.618 ( 6.547 11.885 -1.982) 13.713 7.682 ( 11.078 12.120 6.809) 17.776 8.059 ( -6.528 2.819 1.402) 7.248 8.125 ( 6.214 16.790 -0.681) 17.916 8.237 ( 2.797 6.004 -0.931) 6.688 8.274 ( 3.190 8.602 3.126) 9.692 8.451 ( -2.943 -3.207 3.329) 5.480 8.828 ( -3.694 4.910 2.704) 6.713 8.989 ( 0.136 3.513 7.472) 8.257 9.035 ( 2.091 15.192 -5.704) 16.361 9.055 ( 9.575 -2.824 2.442) 10.277 9.259 ( -7.160 9.091 -7.952) 14.041 9.485 ( -2.487 -5.132 -4.727) 7.407 9.552 ( 3.123 5.816 -1.445) 6.758 9.718 ( -4.687 -0.073 5.632) 7.328 9.906 ( -2.882 -1.812 -11.564) 12.054 9.950 ( 0.596 4.037 1.635) 4.396 10.141 ( -2.445 -4.262 6.210) 7.919 10.372 ( -3.187 -4.632 8.017) 9.793 10.491 ( -6.375 2.791 -7.352) 10.123 10.649 ( -7.053 -3.027 0.475) 7.690 10.870 ( 1.680 -1.431 -6.588) 6.948 11.043 ( -5.884 -2.896 0.098) 6.559 11.150 ( -5.046 3.007 -9.416) 11.098 11.274 ( -7.617 1.723 -5.755) 9.701 11.428 ( -4.658 1.029 11.176) 12.152 11.577 ( -0.967 6.206 6.289) 8.888 11.833 ( -12.299 -10.472 -8.725) 18.359 12.078 ( -10.536 -3.537 5.694) 12.488 12.119 ( 6.832 9.602 2.812) 12.116 12.212 ( 11.020 -3.943 1.444) 11.793 12.435 ( 4.630 3.125 -2.753) 6.227 12.653 ( -3.520 -0.720 -2.731) 4.513 12.666 ( 7.794 -7.983 0.685) 11.178 12.867 ( 2.477 10.266 0.129) 10.561 13.110 ( -10.534 3.400 8.611) 14.024 13.163 ( 4.079 1.350 5.444) 6.935 13.405 ( 6.360 -2.220 2.526) 7.194 13.428 ( 3.330 5.234 3.992) 7.377 13.652 ( -0.941 8.107 3.559) 8.903 13.662 ( -7.803 -4.840 1.964) 9.390 13.786 ( -2.216 4.949 -4.658) 7.148 13.919 ( -1.638 4.333 -10.331) 11.322 14.076 ( -5.225 2.383 7.935) 9.795 14.144 ( -5.938 -1.359 -0.871) 6.154 14.251 ( -8.722 -3.798 -2.536) 9.845 14.261 ( 4.123 3.721 -3.812) 6.736 14.511 ( 4.849 -0.362 -5.991) 7.716 14.614 ( 2.894 -9.711 -1.675) 10.271 14.694 ( 5.969 -7.090 5.303) 10.678 14.918 ( 11.264 0.251 -0.535) 11.279 15.071 ( -5.177 -1.234 2.628) 5.935 15.166 ( -1.695 -0.782 -5.308) 5.627 15.357 ( -5.094 -5.624 -1.872) 7.816 15.513 ( -7.281 4.276 -3.477) 9.131 15.601 ( 3.361 -5.353 4.069) 7.517 15.733 ( -9.562 -13.937 -5.956) 17.921 15.762 ( 0.686 -12.794 1.082) 12.858 15.916 ( 0.158 -16.103 -7.605) 17.809 16.114 ( -0.869 -11.933 5.483) 13.161 16.352 ( -7.430 -4.191 -6.422) 10.678 16.400 ( -7.201 -11.524 0.306) 13.592 16.515 ( 0.718 -1.575 2.282) 2.865 16.801 ( 16.247 6.186 -2.343) 17.542 16.951 ( -0.124 1.939 -0.591) 2.031 17.035 ( -0.948 2.576 8.159) 8.608 17.211 ( -9.467 -6.306 1.040) 11.423 17.399 ( -3.927 -9.458 7.416) 12.644 17.603 ( -4.269 -6.800 6.809) 10.527 17.878 ( -3.765 10.205 -2.049) 11.069 18.114 ( 0.043 -10.219 5.476) 11.594 18.348 ( 0.043 5.197 5.696) 7.711 18.364 ( -2.855 1.810 -0.159) 3.384 18.461 ( -6.291 -0.809 -0.553) 6.367 18.505 ( 0.514 -0.911 -6.361) 6.446 18.747 ( 0.781 -0.049 -2.109) 2.250 18.900 ( 4.550 4.255 -2.418) 6.682 19.075 ( 4.334 -2.071 0.004) 4.804 19.230 ( -1.556 7.401 -5.090) 9.116 19.411 ( -0.116 1.347 0.728) 1.535 19.469 ( 2.250 2.497 -9.006) 9.613 19.640 ( -4.388 -1.933 1.256) 4.957 19.671 ( -2.832 0.948 -3.061) 4.276 19.765 ( 0.404 -1.925 3.548) 4.056 19.890 ( 2.661 -1.321 1.485) 3.321 20.144 ( 6.306 2.522 1.103) 6.880 20.237 ( 0.580 0.311 -1.255) 1.417 20.357 ( 3.222 -0.825 -2.105) 3.936 21.064 ( 0.796 -4.598 10.550) 11.536 21.258 ( -0.393 5.252 -4.319) 6.812 21.458 ( 1.850 -4.214 -4.776) 6.632 21.956 ( -11.201 -9.299 6.599) 15.984 22.938 ( 6.100 9.712 -1.306) 11.544 23.147 ( -1.626 3.300 -0.437) 3.705 23.259 ( 3.053 0.459 1.932) 3.642 23.395 ( 1.341 -2.432 1.740) 3.277 23.608 ( -5.953 2.297 -0.676) 6.416 23.715 ( 9.481 -1.182 0.105) 9.555 24.006 ( 0.731 5.890 -5.498) 8.090 24.137 ( 0.964 6.783 0.393) 6.862 24.456 ( -5.148 -6.471 1.520) 8.407 24.639 ( -7.795 -11.800 -0.542) 14.152 25.518 ( 13.874 8.691 -0.670) 16.385 26.149 ( -6.057 2.075 2.291) 6.800 26.461 ( 0.660 -1.571 -0.215) 1.718 26.672 ( -3.213 -6.015 -0.408) 6.832 ======================= Grid point 188 (88/95) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.664 ( -2.840 48.650 -4.096) 48.905 3.798 ( -12.524 49.119 1.184) 50.705 4.782 ( 9.174 35.981 11.800) 38.962 4.848 ( 12.455 40.420 -15.297) 44.977 5.575 ( 26.792 3.605 20.033) 33.647 5.988 ( 22.997 0.919 -1.787) 23.084 6.217 ( -4.546 4.768 7.253) 9.798 6.447 ( -4.258 -2.622 -22.372) 22.924 6.575 ( 12.493 9.838 4.377) 16.493 6.771 ( 13.011 16.772 5.977) 22.053 6.961 ( 5.781 3.524 -11.156) 13.049 7.068 ( 8.094 5.124 -6.785) 11.739 7.181 ( 17.768 1.543 -4.243) 18.333 7.442 ( -2.480 12.066 13.321) 18.143 7.530 ( 1.495 5.396 -0.116) 5.600 7.716 ( -0.004 15.831 7.149) 17.370 7.808 ( 0.593 12.590 -4.526) 13.392 7.910 ( -4.869 18.793 9.042) 21.415 8.137 ( 8.626 5.157 -4.274) 10.921 8.183 ( 4.725 15.144 -0.208) 15.866 8.401 ( -1.569 10.710 -6.394) 12.572 8.648 ( 3.453 0.668 -1.873) 3.984 8.815 ( 1.312 6.427 -0.811) 6.609 8.948 ( -4.691 3.310 11.280) 12.657 9.153 ( 6.827 2.162 -3.646) 8.036 9.238 ( -0.184 0.293 2.694) 2.716 9.375 ( -12.967 -5.722 -4.085) 14.751 9.484 ( -2.511 7.933 -6.415) 10.507 9.633 ( -12.045 4.663 -4.335) 13.624 9.827 ( -5.976 9.288 7.953) 13.610 9.970 ( 7.108 -4.795 -4.278) 9.583 10.040 ( -1.626 2.260 0.967) 2.947 10.325 ( -9.225 5.020 0.367) 10.509 10.381 ( -6.056 3.409 -6.377) 9.432 10.600 ( -3.474 -1.165 13.271) 13.767 10.783 ( -7.683 4.418 -1.629) 9.011 10.980 ( -2.660 1.317 -1.703) 3.422 11.044 ( -4.618 -5.339 -10.031) 12.266 11.306 ( 11.627 -1.706 -5.206) 12.853 11.407 ( -0.843 0.955 13.996) 14.054 11.520 ( -4.728 -0.270 -1.373) 4.930 11.751 ( -10.397 -6.268 3.700) 12.692 11.971 ( -7.478 1.685 4.878) 9.086 12.043 ( 1.189 10.889 2.675) 11.276 12.196 ( 7.687 13.791 -4.195) 16.336 12.442 ( -2.442 2.643 -0.391) 3.620 12.521 ( -5.276 7.098 0.417) 8.854 12.703 ( 3.721 12.529 4.732) 13.900 12.808 ( -3.142 5.899 -1.515) 6.853 12.926 ( -4.945 9.370 2.891) 10.983 13.075 ( -2.502 18.806 -10.635) 21.749 13.210 ( -0.707 5.091 5.033) 7.193 13.411 ( -0.205 13.216 -4.295) 13.898 13.513 ( -1.187 15.819 -3.013) 16.147 13.634 ( -4.011 7.488 -6.375) 10.620 13.639 ( -16.378 -7.075 -1.298) 17.888 13.905 ( 11.533 5.397 4.699) 13.573 14.098 ( 2.476 -1.682 -2.866) 4.145 14.173 ( 4.547 -9.041 2.155) 10.347 14.281 ( -0.630 -8.429 6.944) 10.939 14.464 ( 9.573 -4.215 1.562) 10.576 14.557 ( 11.959 -11.295 7.132) 17.929 14.689 ( 0.267 -0.525 -1.715) 1.813 14.944 ( -0.559 -9.887 3.666) 10.560 15.015 ( -0.344 -1.328 3.376) 3.644 15.178 ( -1.028 -7.778 -2.794) 8.328 15.195 ( 3.836 -10.177 -4.687) 11.843 15.323 ( -10.216 -6.029 -5.603) 13.119 15.405 ( -1.622 -2.901 1.443) 3.623 15.614 ( -9.414 -8.723 -11.584) 17.288 15.850 ( 5.442 -18.655 -3.959) 19.832 16.037 ( -1.678 -22.246 2.931) 22.501 16.255 ( 2.214 -10.945 -2.881) 11.533 16.302 ( -4.024 -12.353 6.537) 14.543 16.371 ( 3.041 -10.486 -4.952) 11.989 16.512 ( 10.748 -3.551 -1.809) 11.463 16.685 ( 7.255 -11.536 4.803) 14.449 16.862 ( -2.548 -5.725 -3.933) 7.398 16.946 ( 11.203 0.386 -3.349) 11.699 17.116 ( 4.014 0.096 3.131) 5.091 17.216 ( -6.836 -4.620 5.981) 10.190 17.381 ( -13.761 -5.117 6.682) 16.131 17.697 ( -0.813 -5.412 9.505) 10.968 17.796 ( 0.207 -1.794 -0.897) 2.016 18.163 ( -0.022 5.592 1.633) 5.825 18.222 ( -0.826 10.613 3.829) 11.313 18.363 ( -2.681 0.638 3.611) 4.542 18.486 ( 2.309 -11.426 -2.346) 11.891 18.502 ( -5.006 -2.846 -7.431) 9.401 18.640 ( -4.226 -0.884 -5.618) 7.085 18.937 ( 2.264 -1.266 0.049) 2.595 19.056 ( -3.945 6.119 -6.308) 9.633 19.174 ( 5.176 -1.121 1.883) 5.621 19.314 ( -4.124 5.547 2.249) 7.269 19.420 ( 6.298 7.749 -6.787) 12.074 19.598 ( -4.179 1.589 -0.019) 4.471 19.648 ( 1.468 0.669 -2.233) 2.755 19.724 ( -5.706 -0.599 1.724) 5.991 20.020 ( 4.270 -2.977 6.645) 8.441 20.165 ( -0.315 2.771 -2.212) 3.560 20.307 ( 6.109 -5.648 -1.032) 8.384 20.410 ( 1.449 -2.262 -0.602) 2.753 21.168 ( 2.276 3.245 -2.753) 4.826 21.198 ( -3.951 -3.808 8.439) 10.066 21.559 ( 11.073 -3.686 -6.054) 13.148 21.931 ( -14.643 -9.203 4.596) 17.895 22.864 ( 5.665 9.693 -1.806) 11.372 23.031 ( -5.837 5.268 -0.561) 7.883 23.321 ( 5.130 1.955 2.764) 6.146 23.481 ( -2.644 2.231 0.534) 3.500 23.497 ( 2.730 -2.135 2.938) 4.544 23.788 ( -4.262 -1.469 -5.206) 6.887 23.917 ( 5.983 6.310 -5.173) 10.118 24.043 ( 0.602 10.945 3.692) 11.567 24.473 ( -0.172 -4.105 0.999) 4.229 24.659 ( -9.187 -6.409 -0.445) 11.210 25.631 ( 14.764 5.025 0.800) 15.616 25.987 ( -10.045 5.006 0.136) 11.224 26.548 ( 5.318 -5.346 0.160) 7.543 26.718 ( -5.171 -8.402 0.098) 9.866 ======================= Grid point 189 (89/95) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( -2.896 46.261 -7.723) 46.990 2.981 ( 2.896 46.261 7.723) 46.990 4.327 ( 9.650 43.238 -31.379) 54.289 4.327 ( -9.650 43.238 31.379) 54.289 5.942 ( -19.339 8.362 -17.245) 27.227 5.942 ( 19.339 8.362 17.245) 27.227 6.245 ( -9.879 10.521 -26.277) 29.980 6.245 ( 9.879 10.521 26.277) 29.980 6.430 ( -5.378 11.548 -5.873) 14.027 6.430 ( 5.378 11.548 5.873) 14.027 6.962 ( 6.111 9.145 -7.550) 13.340 6.962 ( -6.111 9.145 7.550) 13.340 7.351 ( 3.692 3.609 -11.592) 12.689 7.351 ( -3.692 3.609 11.592) 12.689 7.525 ( 5.983 12.221 -6.418) 15.045 7.525 ( -5.983 12.221 6.418) 15.045 7.641 ( -13.493 -6.680 -2.225) 15.220 7.641 ( 13.493 -6.680 2.225) 15.220 8.222 ( 9.014 5.093 -4.676) 11.361 8.222 ( -9.014 5.093 4.676) 11.361 8.442 ( -21.575 1.422 -7.469) 22.875 8.442 ( 21.575 1.422 7.469) 22.875 8.869 ( -2.180 4.916 -2.284) 5.843 8.869 ( 2.180 4.916 2.284) 5.843 9.226 ( -4.415 -0.603 -3.640) 5.753 9.226 ( 4.415 -0.603 3.640) 5.753 9.271 ( -11.232 -7.347 -7.273) 15.265 9.271 ( 11.232 -7.347 7.273) 15.265 9.536 ( 11.353 11.726 -5.406) 17.194 9.536 ( -11.353 11.726 5.406) 17.194 10.079 ( -6.848 0.865 -5.663) 8.929 10.079 ( 6.848 0.865 5.663) 8.929 10.200 ( -0.421 1.924 -4.478) 4.892 10.200 ( 0.421 1.924 4.478) 4.892 10.653 ( -3.575 1.329 -6.741) 7.745 10.653 ( 3.575 1.329 6.741) 7.745 10.970 ( -1.924 1.374 -6.966) 7.356 10.970 ( 1.924 1.374 6.966) 7.356 11.434 ( 0.626 5.072 -3.272) 6.068 11.434 ( -0.626 5.072 3.272) 6.068 11.542 ( -9.289 6.472 -6.475) 13.042 11.542 ( 9.289 6.472 6.475) 13.042 11.864 ( -3.662 12.407 -3.988) 13.537 11.864 ( 3.662 12.407 3.988) 13.537 12.186 ( -4.516 4.217 -6.761) 9.159 12.186 ( 4.516 4.217 6.761) 9.159 12.506 ( -7.679 13.158 -6.607) 16.606 12.506 ( 7.679 13.158 6.607) 16.606 12.637 ( -7.220 8.990 -0.151) 11.531 12.637 ( 7.220 8.990 0.151) 11.531 13.008 ( -1.628 18.505 -0.176) 18.577 13.008 ( 1.628 18.505 0.176) 18.577 13.164 ( 3.660 18.183 -11.718) 21.939 13.164 ( -3.660 18.183 11.718) 21.939 13.547 ( -7.874 -2.367 -0.480) 8.236 13.547 ( 7.874 -2.367 0.480) 8.236 13.970 ( 0.885 4.221 -5.334) 6.859 13.970 ( -0.885 4.221 5.334) 6.859 14.425 ( -1.675 -8.671 -5.969) 10.659 14.425 ( 1.675 -8.671 5.969) 10.659 14.695 ( 5.278 -9.747 -3.313) 11.569 14.695 ( -5.278 -9.747 3.313) 11.569 14.958 ( -7.072 -8.182 -8.079) 13.499 14.958 ( 7.072 -8.182 8.079) 13.499 15.188 ( -6.478 -6.457 -1.137) 9.217 15.188 ( 6.478 -6.457 1.137) 9.217 15.320 ( -0.777 -8.580 -10.429) 13.527 15.320 ( 0.777 -8.580 10.429) 13.527 15.585 ( -5.122 -11.337 -15.175) 19.622 15.585 ( 5.122 -11.337 15.175) 19.622 16.241 ( -11.941 -16.804 1.860) 20.698 16.241 ( 11.941 -16.804 -1.860) 20.698 16.336 ( 7.125 -2.228 -3.914) 8.429 16.336 ( -7.125 -2.228 3.914) 8.429 16.546 ( -4.637 -0.580 -5.262) 7.037 16.546 ( 4.637 -0.580 5.262) 7.037 16.999 ( -5.914 -7.622 -13.101) 16.270 16.999 ( 5.914 -7.622 13.101) 16.270 17.138 ( 11.629 -14.507 -8.690) 20.523 17.138 ( -11.629 -14.507 8.690) 20.523 17.339 ( -2.313 -9.620 -3.083) 10.363 17.339 ( 2.313 -9.620 3.083) 10.363 17.806 ( -0.393 -3.785 -8.914) 9.692 17.806 ( 0.393 -3.785 8.914) 9.692 18.051 ( 2.401 10.907 -4.942) 12.213 18.051 ( -2.401 10.907 4.942) 12.213 18.362 ( -3.134 2.238 -4.082) 5.612 18.362 ( 3.134 2.238 4.082) 5.612 18.727 ( -2.928 -13.070 -1.261) 13.453 18.727 ( 2.928 -13.070 1.261) 13.453 18.936 ( -0.652 3.332 -0.536) 3.437 18.936 ( 0.652 3.332 0.536) 3.437 19.231 ( 0.300 0.084 -1.067) 1.112 19.231 ( -0.300 0.084 1.067) 1.112 19.424 ( -10.563 6.468 -1.191) 12.443 19.424 ( 10.563 6.468 1.191) 12.443 19.689 ( -4.101 -2.232 -0.039) 4.670 19.689 ( 4.101 -2.232 0.039) 4.670 20.104 ( -1.296 1.126 -4.965) 5.254 20.104 ( 1.296 1.126 4.965) 5.254 20.442 ( 2.407 -3.238 -5.895) 7.144 20.442 ( -2.407 -3.238 5.895) 7.144 21.162 ( 5.900 2.045 -4.068) 7.453 21.162 ( -5.900 2.045 4.068) 7.453 21.839 ( -12.335 -8.252 -1.749) 14.944 21.839 ( 12.335 -8.252 1.749) 14.944 22.849 ( -4.507 5.257 -2.754) 7.452 22.849 ( 4.507 5.257 2.754) 7.452 23.358 ( -3.761 3.842 -3.213) 6.263 23.358 ( 3.761 3.842 3.213) 6.263 23.649 ( -7.329 1.129 -11.106) 13.354 23.649 ( 7.329 1.129 11.106) 13.354 23.888 ( 5.334 8.353 -6.997) 12.132 23.888 ( -5.334 8.353 6.997) 12.132 24.580 ( -6.620 -1.591 -1.304) 6.932 24.580 ( 6.620 -1.591 1.304) 6.932 25.754 ( -1.393 5.340 -12.699) 13.847 25.754 ( 1.393 5.340 12.699) 13.847 26.753 ( -0.478 -9.521 -6.486) 11.530 26.753 ( 0.478 -9.521 6.486) 11.530 ======================= Grid point 195 (90/95) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.220 ( 28.532 -0.000 4.021) 28.814 4.735 ( 47.560 -0.000 9.063) 48.416 5.028 ( 45.145 -0.000 7.051) 45.693 5.517 ( 6.196 -0.000 -19.069) 20.051 5.602 ( 27.000 -0.000 -17.264) 32.048 6.267 ( 20.923 -0.000 13.549) 24.927 6.407 ( -1.839 0.000 2.688) 3.257 6.612 ( 9.846 -0.000 9.505) 13.686 6.623 ( -5.328 0.000 -3.554) 6.405 6.956 ( 17.276 -0.000 1.992) 17.391 7.123 ( 8.546 -0.000 5.344) 10.079 7.203 ( 10.477 -0.000 -6.087) 12.117 7.460 ( 26.471 -0.000 -2.938) 26.634 7.490 ( 10.359 -0.000 1.117) 10.419 7.620 ( 13.933 -0.000 -4.387) 14.608 7.654 ( 5.933 -0.000 -3.601) 6.940 7.944 ( -1.766 0.000 -4.534) 4.866 8.169 ( 4.330 -0.000 -6.481) 7.794 8.289 ( 22.957 -0.000 -10.028) 25.051 8.424 ( 0.961 -0.000 10.359) 10.403 8.625 ( 9.160 -0.000 5.840) 10.863 8.655 ( 10.346 -0.000 13.074) 16.673 8.863 ( 10.538 -0.000 -6.229) 12.241 9.120 ( 2.450 -0.000 5.940) 6.425 9.215 ( -8.955 0.000 0.445) 8.966 9.324 ( 14.772 -0.000 6.373) 16.088 9.417 ( 3.769 -0.000 2.823) 4.709 9.515 ( -2.193 0.000 -9.961) 10.199 9.764 ( -8.807 0.000 -0.393) 8.816 9.806 ( 4.700 -0.000 -1.176) 4.845 9.912 ( 0.089 -0.000 -10.209) 10.209 10.339 ( 8.232 -0.000 7.773) 11.322 10.343 ( 6.533 -0.000 -6.115) 8.948 10.419 ( 6.863 -0.000 6.484) 9.442 10.659 ( 11.769 -0.000 16.694) 20.425 10.789 ( -3.392 0.000 4.723) 5.815 10.943 ( 1.511 -0.000 -4.619) 4.860 10.984 ( 6.593 -0.000 -1.898) 6.861 11.044 ( 16.369 -0.000 -18.666) 24.826 11.052 ( 3.780 -0.000 -0.695) 3.843 11.674 ( 2.263 -0.000 6.769) 7.137 11.791 ( 10.214 -0.000 0.933) 10.256 11.902 ( -12.014 0.000 1.727) 12.137 12.151 ( -6.429 0.000 -9.248) 11.263 12.217 ( -5.032 0.000 -5.704) 7.606 12.433 ( 12.419 -0.000 1.390) 12.497 12.556 ( 3.152 -0.000 -4.683) 5.645 12.689 ( 2.824 -0.000 8.451) 8.910 12.941 ( -17.076 0.000 -0.594) 17.087 12.971 ( 19.276 -0.000 0.418) 19.280 13.106 ( 2.342 -0.000 -1.324) 2.691 13.231 ( 15.767 -0.000 -8.955) 18.132 13.335 ( -15.197 0.000 -8.209) 17.272 13.567 ( 4.457 -0.000 11.599) 12.426 13.625 ( 4.912 -0.000 6.375) 8.048 13.787 ( -13.151 0.000 -6.499) 14.669 13.887 ( 4.667 -0.000 1.497) 4.901 13.982 ( 0.145 -0.000 4.803) 4.805 14.252 ( -0.969 0.000 -5.377) 5.464 14.277 ( -3.140 0.000 -1.864) 3.651 14.448 ( -11.243 0.000 12.792) 17.031 14.609 ( 7.903 -0.000 0.842) 7.948 14.877 ( -0.692 0.000 7.632) 7.663 14.925 ( 15.760 -0.000 12.120) 19.882 14.997 ( -17.137 0.000 7.398) 18.665 15.117 ( -3.318 0.000 -7.126) 7.861 15.140 ( -18.631 0.000 -7.086) 19.933 15.299 ( -4.481 0.000 -1.039) 4.600 15.354 ( -16.933 0.000 -4.188) 17.443 15.401 ( -11.085 0.000 6.955) 13.087 15.627 ( -12.488 0.000 -10.244) 16.152 15.800 ( -2.469 0.000 -8.440) 8.794 15.991 ( -13.131 0.000 3.894) 13.697 16.179 ( -8.979 0.000 3.279) 9.559 16.378 ( -17.004 0.000 -4.286) 17.536 16.422 ( -7.464 0.000 -12.000) 14.132 16.494 ( -9.051 0.000 -11.387) 14.546 16.646 ( -4.604 0.000 13.673) 14.427 16.975 ( -11.866 0.000 13.162) 17.721 17.078 ( -9.579 0.000 -1.933) 9.772 17.332 ( -3.763 0.000 1.229) 3.959 17.441 ( 0.150 -0.000 -6.079) 6.081 17.525 ( -10.677 0.000 1.471) 10.778 17.664 ( 2.446 -0.000 5.023) 5.587 18.148 ( 1.404 -0.000 -3.738) 3.993 18.366 ( -4.332 0.000 6.662) 7.947 18.432 ( 1.837 -0.000 -7.951) 8.161 18.530 ( 12.980 -0.000 10.834) 16.907 18.723 ( 9.191 -0.000 -0.963) 9.241 18.767 ( -3.465 0.000 -1.366) 3.724 18.833 ( 1.564 -0.000 5.455) 5.675 18.836 ( 6.827 -0.000 -7.891) 10.434 19.267 ( 2.315 -0.000 -2.324) 3.280 19.305 ( 13.357 -0.000 3.293) 13.757 19.412 ( 1.648 -0.000 3.812) 4.153 19.460 ( -1.968 0.000 -3.635) 4.133 19.745 ( -1.345 0.000 4.314) 4.519 19.844 ( -6.126 0.000 -9.854) 11.603 20.092 ( -3.003 0.000 -5.529) 6.292 20.143 ( 7.222 -0.000 -5.400) 9.018 20.207 ( -3.706 0.000 2.517) 4.480 20.387 ( 1.940 -0.000 0.650) 2.046 21.062 ( -8.860 0.000 6.653) 11.080 21.233 ( -2.303 0.000 -1.050) 2.531 21.615 ( 0.935 -0.000 4.019) 4.126 21.664 ( -3.561 0.000 -2.152) 4.161 22.993 ( 8.346 -0.000 1.043) 8.411 23.231 ( 1.134 -0.000 -0.620) 1.292 23.292 ( -3.414 0.000 -0.856) 3.519 23.384 ( 10.921 -0.000 7.090) 13.021 23.510 ( 3.886 -0.000 -6.776) 7.811 23.779 ( -4.868 0.000 8.191) 9.528 24.049 ( 5.044 -0.000 -0.754) 5.100 24.126 ( -1.382 0.000 -7.025) 7.160 24.294 ( -4.736 0.000 -1.694) 5.030 24.534 ( -4.500 0.000 2.543) 5.169 25.657 ( 10.266 -0.000 -5.013) 11.424 26.143 ( 1.134 -0.000 3.942) 4.102 26.529 ( -3.097 0.000 -7.787) 8.381 26.568 ( -6.820 0.000 7.905) 10.440 ======================= Grid point 196 (91/95) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.623 ( 24.068 -0.291 8.501) 25.527 5.279 ( 16.293 11.020 -10.873) 22.476 5.402 ( 22.329 12.001 -1.487) 25.393 5.635 ( 33.976 4.850 7.326) 35.093 5.967 ( 22.622 -2.795 -10.728) 25.193 6.214 ( 15.175 24.039 5.603) 28.975 6.313 ( -4.597 14.990 4.921) 16.433 6.484 ( 5.343 14.436 -3.031) 15.688 6.791 ( 8.990 0.924 -0.543) 9.053 7.033 ( 6.011 10.063 -10.966) 16.052 7.111 ( 14.194 18.073 -2.315) 23.097 7.290 ( 11.389 10.717 14.625) 21.411 7.558 ( 8.179 5.770 1.609) 10.138 7.736 ( 7.883 -7.555 0.750) 10.944 7.769 ( 5.980 -0.015 4.367) 7.404 7.917 ( 6.687 3.668 1.527) 7.778 8.041 ( 19.795 -7.326 -1.183) 21.140 8.303 ( 16.345 1.642 -5.267) 17.251 8.367 ( -5.635 6.633 7.705) 11.624 8.431 ( 8.344 7.132 -11.902) 16.191 8.628 ( 1.806 15.279 1.277) 15.438 8.903 ( 8.451 -2.285 4.236) 9.726 8.960 ( 7.700 -0.888 -0.479) 7.766 9.013 ( -4.424 -0.618 3.657) 5.773 9.222 ( 8.807 1.664 -1.043) 9.023 9.319 ( -6.010 -1.257 -8.370) 10.381 9.537 ( -1.730 -8.408 -1.433) 8.702 9.614 ( 0.337 -5.751 2.192) 6.163 9.699 ( 3.472 -0.760 -1.896) 4.028 9.883 ( 3.571 2.297 1.909) 4.655 9.934 ( 8.478 -4.480 -5.899) 11.258 10.229 ( 0.684 20.333 -6.721) 21.426 10.421 ( 0.953 7.312 13.601) 15.471 10.529 ( 2.334 -1.859 -3.142) 4.333 10.603 ( -2.003 -3.286 4.991) 6.302 10.833 ( 1.532 -2.066 4.627) 5.294 10.952 ( 6.475 7.613 -4.317) 10.887 11.186 ( 2.866 -10.513 4.564) 11.814 11.313 ( 16.678 -6.407 -0.723) 17.881 11.503 ( 12.830 1.328 -11.291) 17.142 11.550 ( 2.396 0.985 4.967) 5.602 11.810 ( -6.263 2.203 -1.350) 6.775 11.949 ( -11.404 -5.522 -1.841) 12.804 12.004 ( 7.539 1.549 4.219) 8.777 12.190 ( 2.574 -3.880 -0.798) 4.724 12.412 ( -6.087 1.662 -4.010) 7.476 12.529 ( -3.533 -3.925 -1.323) 5.444 12.691 ( 2.660 5.541 2.756) 6.736 12.791 ( -6.592 -10.491 -2.506) 12.641 13.114 ( 1.797 2.728 2.567) 4.155 13.189 ( -8.942 -4.786 0.146) 10.143 13.259 ( 10.621 -4.358 7.413) 13.665 13.381 ( 4.036 -2.522 -8.538) 9.774 13.564 ( -9.084 -5.150 0.089) 10.442 13.719 ( 7.852 -2.680 3.817) 9.133 13.793 ( 3.942 -1.047 -3.817) 5.586 13.912 ( -5.301 -4.808 -0.124) 7.158 14.100 ( 4.865 -5.370 7.088) 10.136 14.108 ( -0.862 4.445 -5.100) 6.819 14.244 ( -0.939 3.855 3.881) 5.550 14.364 ( -12.256 4.857 11.104) 17.237 14.488 ( -15.165 0.800 2.269) 15.355 14.615 ( -20.879 12.025 0.650) 24.103 14.744 ( -7.828 6.290 -0.299) 10.046 14.901 ( -7.733 -6.935 -11.801) 15.721 15.063 ( -1.776 -10.302 -5.787) 11.949 15.144 ( -0.689 -1.549 -0.079) 1.697 15.213 ( -11.572 -5.552 -0.228) 12.836 15.270 ( -13.936 -13.985 4.522) 20.254 15.381 ( -6.846 -8.457 1.827) 11.033 15.613 ( 18.381 10.921 -1.061) 21.407 15.671 ( -3.767 8.707 -8.138) 12.499 15.849 ( -7.524 1.809 4.119) 8.767 16.064 ( -3.919 6.032 1.820) 7.420 16.135 ( -6.615 0.391 -9.114) 11.268 16.344 ( -5.409 -10.823 -5.260) 13.193 16.365 ( -1.941 -2.086 -8.459) 8.926 16.737 ( -0.455 -5.141 10.648) 11.832 16.919 ( -7.645 -4.115 13.768) 16.277 16.992 ( -11.553 -8.354 0.505) 14.266 17.203 ( -7.865 3.955 -3.891) 9.625 17.331 ( -6.938 -2.042 5.745) 9.237 17.516 ( 9.896 8.867 -0.123) 13.287 17.811 ( 5.863 -5.895 3.045) 8.855 18.177 ( 4.459 2.831 -0.505) 5.306 18.324 ( -4.231 0.277 1.453) 4.482 18.417 ( 0.338 1.469 -4.123) 4.390 18.601 ( -3.051 7.057 -0.660) 7.716 18.683 ( 4.104 4.638 5.753) 8.453 18.761 ( 3.896 3.919 -1.529) 5.734 18.935 ( 3.938 -2.530 2.400) 5.260 18.987 ( 6.764 -5.089 2.254) 8.760 19.324 ( 1.530 -2.966 -6.580) 7.378 19.377 ( 0.320 1.092 -7.220) 7.309 19.470 ( -0.506 -4.507 0.367) 4.550 19.510 ( 8.890 -0.183 0.996) 8.948 19.670 ( -7.954 1.033 -6.500) 10.324 19.755 ( -1.826 -0.899 6.308) 6.628 19.967 ( -2.226 4.586 -5.629) 7.594 20.149 ( -2.927 -3.115 -3.042) 5.246 20.267 ( 5.623 0.233 0.046) 5.628 20.416 ( 4.956 4.548 -0.844) 6.779 20.979 ( -7.220 -0.529 11.666) 13.730 21.218 ( -4.098 -5.321 -3.714) 7.674 21.533 ( 3.718 7.423 -2.633) 8.709 21.737 ( -4.158 -6.975 4.832) 9.449 23.116 ( 9.404 1.837 2.064) 9.801 23.224 ( 0.123 1.682 -0.280) 1.709 23.275 ( -0.208 -1.424 0.904) 1.699 23.404 ( 1.196 5.855 1.233) 6.102 23.642 ( 10.590 -1.406 -1.869) 10.846 23.709 ( -6.176 3.118 0.362) 6.928 24.079 ( 0.494 -4.503 1.495) 4.770 24.154 ( -5.198 0.121 -4.263) 6.723 24.227 ( -1.118 -9.585 -3.509) 10.268 24.470 ( -6.048 1.693 2.932) 6.931 25.754 ( 11.577 6.090 -1.277) 13.143 26.155 ( -2.564 -1.095 1.600) 3.214 26.458 ( -1.407 1.552 -0.842) 2.257 26.546 ( -4.277 -3.580 0.925) 5.654 ======================= Grid point 197 (92/95) ======================= q-point: (-0.44 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.814 ( 9.473 25.021 7.308) 27.735 5.042 ( -3.206 27.655 -0.370) 27.842 5.293 ( 13.847 22.188 0.386) 26.156 5.708 ( -0.916 19.055 -9.358) 21.249 6.127 ( 10.591 8.418 5.898) 14.758 6.207 ( 24.205 19.101 5.102) 31.254 6.354 ( 5.841 4.737 -0.853) 7.569 6.549 ( 31.974 1.753 -2.247) 32.101 6.734 ( 3.573 24.996 -7.339) 26.295 6.903 ( 11.001 0.934 -7.789) 13.512 7.163 ( 10.402 4.532 -5.604) 12.655 7.315 ( -0.445 6.265 9.372) 11.282 7.500 ( 7.208 18.779 8.725) 21.925 7.678 ( -7.507 5.750 -2.201) 9.709 7.802 ( 2.277 9.183 -3.246) 10.002 8.028 ( -3.376 6.121 -2.472) 7.415 8.195 ( -1.577 2.547 1.205) 3.229 8.250 ( 18.229 9.529 7.664) 21.951 8.351 ( -3.052 7.654 3.557) 8.975 8.402 ( -2.000 11.224 3.459) 11.914 8.458 ( 9.902 -0.429 -3.088) 10.381 8.824 ( -6.579 3.751 -11.835) 14.050 8.978 ( -7.801 -9.174 4.446) 12.837 9.130 ( -2.065 3.428 2.825) 4.899 9.254 ( 8.738 7.539 1.861) 11.690 9.392 ( 10.981 8.137 4.713) 14.457 9.560 ( -1.609 7.132 -2.057) 7.595 9.592 ( 1.326 1.706 -5.322) 5.744 9.767 ( 7.863 -0.042 -12.141) 14.465 9.920 ( 10.782 16.375 -3.747) 19.961 9.962 ( -8.622 -4.408 8.164) 12.666 10.092 ( 5.042 1.444 3.674) 6.403 10.327 ( -2.921 -2.282 3.949) 5.416 10.550 ( -1.235 10.325 -2.982) 10.818 10.629 ( 0.926 1.289 4.959) 5.207 10.862 ( 0.218 1.165 3.499) 3.694 10.950 ( 3.262 5.714 -3.205) 7.319 11.137 ( -9.348 11.782 -11.223) 18.766 11.249 ( 1.476 0.697 -3.511) 3.872 11.478 ( -2.541 1.944 1.999) 3.773 11.514 ( -2.658 -1.416 0.466) 3.048 11.716 ( -6.149 12.875 4.984) 15.113 11.870 ( -9.758 -3.129 4.645) 11.251 12.176 ( 6.257 -17.014 -3.005) 18.376 12.313 ( 2.596 3.539 2.721) 5.164 12.471 ( 0.109 -3.941 -9.062) 9.883 12.570 ( -0.254 -4.452 1.210) 4.620 12.715 ( 2.986 -5.693 2.703) 6.973 12.924 ( 0.731 -10.996 -0.437) 11.029 13.104 ( -0.900 -0.636 -0.046) 1.103 13.212 ( -0.536 -1.422 8.096) 8.237 13.313 ( -2.237 5.187 1.373) 5.813 13.461 ( -4.402 -3.268 -0.638) 5.519 13.559 ( 7.199 -1.470 2.201) 7.670 13.761 ( -0.545 5.874 -7.846) 9.816 13.781 ( -11.861 2.447 -0.810) 12.137 13.857 ( 3.600 -1.126 -2.182) 4.357 14.038 ( -9.483 1.157 4.244) 10.453 14.146 ( 3.747 -5.307 5.992) 8.838 14.198 ( 6.807 3.520 8.620) 11.534 14.298 ( 1.478 -7.858 -0.703) 8.027 14.449 ( 1.635 -8.660 -4.397) 9.849 14.506 ( -2.251 -6.081 2.935) 7.117 14.707 ( 0.469 -6.805 1.186) 6.924 14.893 ( -9.743 -10.886 0.473) 14.617 15.023 ( -11.207 -1.462 -11.449) 16.088 15.100 ( 0.462 1.086 -3.751) 3.932 15.224 ( -3.710 -10.354 1.335) 11.079 15.278 ( -9.495 0.083 -2.057) 9.716 15.384 ( -10.027 -4.785 -6.548) 12.896 15.501 ( 1.107 -6.797 -1.344) 7.017 15.616 ( -1.139 -0.538 -4.339) 4.518 15.855 ( 7.577 -5.307 3.270) 9.811 16.014 ( 0.320 -4.829 2.989) 5.688 16.159 ( 1.186 -2.251 4.317) 5.011 16.340 ( -3.149 -2.839 -7.834) 8.908 16.464 ( 6.613 -4.448 -0.593) 7.992 16.828 ( -16.172 -5.224 -1.479) 17.059 16.898 ( 2.166 -7.563 2.456) 8.242 16.983 ( -3.623 -5.932 8.632) 11.083 17.222 ( 3.936 -8.779 -2.276) 9.887 17.308 ( -2.354 0.890 8.936) 9.283 17.558 ( 9.348 4.115 2.292) 10.467 17.882 ( -4.014 5.963 -5.843) 9.263 18.133 ( 2.254 1.540 8.609) 9.031 18.290 ( -3.120 -1.983 -1.639) 4.044 18.400 ( 1.667 1.871 0.982) 2.691 18.529 ( 1.759 7.217 0.749) 7.466 18.566 ( 0.057 8.094 -3.296) 8.740 18.752 ( -3.361 2.905 2.610) 5.153 18.986 ( 1.914 2.470 3.708) 4.850 19.151 ( 8.679 -1.642 1.417) 8.946 19.189 ( -5.901 2.767 -16.750) 17.974 19.380 ( -4.272 -1.314 -1.494) 4.712 19.535 ( -0.232 -3.654 -0.032) 3.661 19.572 ( 1.328 0.012 -3.320) 3.576 19.606 ( 3.768 0.433 -1.575) 4.107 19.760 ( -4.980 -0.374 7.118) 8.695 19.947 ( 5.685 -0.734 1.193) 5.855 20.149 ( -4.623 -3.783 -2.289) 6.397 20.284 ( 4.643 4.147 -0.813) 6.278 20.397 ( 0.493 2.430 -2.115) 3.259 21.025 ( 0.832 -5.259 9.223) 10.650 21.200 ( -5.270 -3.555 -4.281) 7.664 21.532 ( 8.724 2.552 -3.984) 9.925 21.749 ( -8.769 -4.252 5.725) 11.303 23.145 ( 3.516 8.573 0.863) 9.306 23.190 ( 0.029 4.307 -1.031) 4.429 23.345 ( 6.027 -0.864 2.967) 6.773 23.404 ( 4.231 -1.250 1.970) 4.832 23.544 ( -5.604 3.647 -1.783) 6.920 23.739 ( -3.257 -1.211 -3.596) 5.000 24.052 ( 2.330 0.967 -4.654) 5.294 24.213 ( 5.274 -2.364 3.425) 6.718 24.321 ( -11.229 -7.723 0.690) 13.646 24.389 ( -1.116 -4.418 -0.058) 4.557 25.816 ( 12.519 7.281 -1.512) 14.561 26.091 ( -7.808 2.308 2.704) 8.579 26.454 ( 1.719 -1.667 -0.109) 2.397 26.548 ( -3.659 -4.186 -0.676) 5.601 ======================= Grid point 198 (93/95) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.369 ( 2.199 47.416 -9.618) 48.431 4.369 ( -2.199 47.416 9.618) 48.431 5.305 ( -3.118 20.901 -15.936) 26.467 5.305 ( 3.118 20.901 15.936) 26.467 6.175 ( -12.254 18.015 -15.522) 26.751 6.175 ( 12.254 18.015 15.522) 26.751 6.284 ( 7.310 6.052 -14.034) 16.941 6.284 ( -7.310 6.052 14.034) 16.941 6.947 ( -10.547 3.015 -1.525) 11.075 6.947 ( 10.547 3.015 1.525) 11.075 7.136 ( -1.716 9.358 -4.899) 10.701 7.136 ( 1.716 9.358 4.899) 10.701 7.470 ( -12.681 6.241 1.435) 14.206 7.470 ( 12.681 6.241 -1.435) 14.206 7.687 ( -7.736 12.007 0.837) 14.308 7.687 ( 7.736 12.007 -0.837) 14.308 8.139 ( 1.403 15.650 -8.597) 17.910 8.139 ( -1.403 15.650 8.597) 17.910 8.337 ( -0.947 3.622 -2.028) 4.258 8.337 ( 0.947 3.622 2.028) 4.258 8.589 ( -10.798 7.278 -13.220) 18.556 8.589 ( 10.798 7.278 13.220) 18.556 8.990 ( -1.788 2.469 -9.740) 10.206 8.990 ( 1.788 2.469 9.740) 10.206 9.254 ( -8.636 7.413 -2.030) 11.562 9.254 ( 8.636 7.413 2.030) 11.562 9.424 ( -11.872 14.369 -5.964) 19.570 9.424 ( 11.872 14.369 5.964) 19.570 9.829 ( 5.658 6.095 -10.952) 13.751 9.829 ( -5.658 6.095 10.952) 13.751 10.012 ( -3.598 -2.177 -0.821) 4.284 10.012 ( 3.598 -2.177 0.821) 4.284 10.382 ( -0.359 8.466 -1.430) 8.593 10.382 ( 0.359 8.466 1.430) 8.593 10.670 ( -8.687 -0.369 -14.318) 16.751 10.670 ( 8.687 -0.369 14.318) 16.751 10.961 ( -3.520 2.945 -3.705) 5.899 10.961 ( 3.520 2.945 3.705) 5.899 11.339 ( 2.055 -3.984 -8.006) 9.176 11.339 ( -2.055 -3.984 8.006) 9.176 11.539 ( -1.147 -1.844 -6.482) 6.836 11.539 ( 1.147 -1.844 6.482) 6.836 12.083 ( -11.696 1.542 -11.085) 16.188 12.083 ( 11.696 1.542 11.085) 16.188 12.413 ( 3.374 4.071 -11.712) 12.850 12.413 ( -3.374 4.071 11.712) 12.850 12.670 ( -11.250 -0.281 -3.713) 11.850 12.670 ( 11.250 -0.281 3.713) 11.850 13.022 ( -0.215 7.629 -2.770) 8.119 13.022 ( 0.215 7.629 2.770) 8.119 13.214 ( 4.584 5.563 -13.182) 15.024 13.214 ( -4.584 5.563 13.182) 15.024 13.451 ( -6.331 1.610 -4.890) 8.160 13.451 ( 6.331 1.610 4.890) 8.160 13.673 ( 5.214 4.437 -3.766) 7.814 13.673 ( -5.214 4.437 3.766) 7.814 14.038 ( 2.739 -8.738 -1.280) 9.247 14.038 ( -2.739 -8.738 1.280) 9.247 14.220 ( 2.843 7.775 -3.577) 9.018 14.220 ( -2.843 7.775 3.577) 9.018 14.584 ( -3.243 -6.041 -12.327) 14.105 14.584 ( 3.243 -6.041 12.327) 14.105 14.648 ( -21.341 -12.350 -8.585) 26.109 14.648 ( 21.341 -12.350 8.585) 26.109 14.975 ( -0.489 -8.560 -4.943) 9.897 14.975 ( 0.489 -8.560 4.943) 9.897 15.150 ( -5.131 -1.907 -2.547) 6.038 15.150 ( 5.131 -1.907 2.547) 6.038 15.339 ( -1.917 -7.478 -2.555) 8.132 15.339 ( 1.917 -7.478 2.555) 8.132 15.688 ( 4.320 -14.601 -5.169) 16.080 15.688 ( -4.320 -14.601 5.169) 16.080 16.132 ( 3.218 -9.464 -3.971) 10.756 16.132 ( -3.218 -9.464 3.971) 10.756 16.319 ( -10.962 -15.573 -4.426) 19.552 16.319 ( 10.962 -15.573 4.426) 19.552 16.666 ( -12.979 -3.731 -2.236) 13.688 16.666 ( 12.979 -3.731 2.236) 13.688 17.052 ( 0.925 -6.366 -2.184) 6.793 17.052 ( -0.925 -6.366 2.184) 6.793 17.293 ( -1.043 6.450 -7.454) 9.912 17.293 ( 1.043 6.450 7.454) 9.912 17.685 ( -5.934 -3.744 -3.686) 7.926 17.685 ( 5.934 -3.744 3.686) 7.926 18.254 ( -1.306 -1.130 -9.638) 9.791 18.254 ( 1.306 -1.130 9.638) 9.791 18.386 ( 0.226 2.334 -9.932) 10.205 18.386 ( -0.226 2.334 9.932) 10.205 18.572 ( -4.508 6.860 -8.110) 11.539 18.572 ( 4.508 6.860 8.110) 11.539 19.018 ( -4.055 2.769 -9.002) 10.255 19.018 ( 4.055 2.769 9.002) 10.255 19.279 ( -4.379 1.199 -2.717) 5.292 19.279 ( 4.379 1.199 2.717) 5.292 19.563 ( 0.733 0.569 -2.448) 2.618 19.563 ( -0.733 0.569 2.448) 2.618 19.673 ( 4.415 1.684 -4.370) 6.436 19.673 ( -4.415 1.684 4.370) 6.436 20.086 ( -6.400 -2.234 -4.422) 8.094 20.086 ( 6.400 -2.234 4.422) 8.094 20.347 ( -4.917 -1.474 -0.857) 5.204 20.347 ( 4.917 -1.474 0.857) 5.204 21.158 ( -1.227 -2.845 -6.784) 7.458 21.158 ( 1.227 -2.845 6.784) 7.458 21.668 ( 2.566 -3.168 -5.099) 6.528 21.668 ( -2.566 -3.168 5.099) 6.528 23.065 ( -0.845 8.861 -3.718) 9.647 23.065 ( 0.845 8.861 3.718) 9.647 23.426 ( -4.415 0.435 -2.257) 4.977 23.426 ( 4.415 0.435 2.257) 4.977 23.597 ( -10.296 -1.860 -7.035) 12.608 23.597 ( 10.296 -1.860 7.035) 12.608 24.116 ( 2.982 5.545 -3.365) 7.139 24.116 ( -2.982 5.545 3.365) 7.139 24.437 ( -4.058 -8.239 -3.699) 9.901 24.437 ( 4.058 -8.239 3.699) 9.901 25.899 ( -1.602 5.232 -7.598) 9.363 25.899 ( 1.602 5.232 7.598) 9.363 26.549 ( 0.062 -4.901 -6.026) 7.767 26.549 ( -0.062 -4.901 6.026) 7.767 ======================= Grid point 206 (94/95) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.000 ( 20.140 -0.000 18.787) 27.542 5.440 ( 6.667 -0.000 -29.486) 30.230 5.853 ( 23.098 -0.000 0.070) 23.099 6.029 ( 12.265 -0.000 2.796) 12.580 6.050 ( 3.196 -0.000 4.215) 5.290 6.261 ( -16.232 0.000 4.155) 16.755 6.705 ( 15.093 -0.000 -6.838) 16.570 6.749 ( 29.752 -0.000 -1.901) 29.813 6.898 ( 0.922 -0.000 11.360) 11.398 7.189 ( 6.529 -0.000 -8.303) 10.563 7.405 ( 3.837 -0.000 -6.164) 7.261 7.433 ( -3.774 0.000 15.459) 15.913 7.617 ( 9.713 -0.000 -5.381) 11.104 7.734 ( -1.448 0.000 10.454) 10.553 7.865 ( 0.172 -0.000 -8.291) 8.292 7.974 ( -7.697 0.000 5.427) 9.417 8.235 ( 26.041 -0.000 5.287) 26.572 8.452 ( -4.721 0.000 -5.804) 7.482 8.458 ( 6.141 -0.000 -14.238) 15.506 8.536 ( 8.667 -0.000 18.860) 20.756 8.760 ( -9.658 0.000 4.592) 10.694 8.827 ( -3.395 0.000 -15.718) 16.080 8.905 ( -6.012 0.000 -7.474) 9.592 9.046 ( -10.934 0.000 -7.280) 13.136 9.285 ( 20.773 -0.000 5.866) 21.585 9.477 ( 4.680 -0.000 8.169) 9.415 9.541 ( 18.306 -0.000 1.405) 18.360 9.578 ( 0.438 -0.000 8.485) 8.497 9.811 ( 3.141 -0.000 3.253) 4.522 9.864 ( 1.851 -0.000 -7.169) 7.404 10.031 ( 12.892 -0.000 -6.031) 14.233 10.261 ( -1.322 0.000 -6.393) 6.528 10.477 ( -4.629 0.000 0.734) 4.686 10.607 ( 5.785 -0.000 9.391) 11.029 10.760 ( 0.184 -0.000 0.142) 0.232 10.773 ( -10.910 0.000 -5.449) 12.195 11.134 ( 16.613 -0.000 7.036) 18.042 11.300 ( 18.246 -0.000 7.337) 19.666 11.516 ( -9.311 0.000 6.722) 11.484 11.550 ( 16.772 -0.000 -3.893) 17.218 11.621 ( -5.151 0.000 -9.501) 10.808 11.782 ( 10.238 -0.000 -16.639) 19.537 11.850 ( 8.196 -0.000 -2.559) 8.587 12.155 ( -3.540 0.000 -2.317) 4.230 12.179 ( -8.583 0.000 12.195) 14.912 12.352 ( -5.984 0.000 2.861) 6.633 12.357 ( -8.172 0.000 1.358) 8.284 12.389 ( -10.129 0.000 3.031) 10.573 12.763 ( 0.402 -0.000 -2.158) 2.195 12.988 ( -7.878 0.000 -4.186) 8.921 13.238 ( 4.477 -0.000 11.252) 12.110 13.336 ( 4.000 -0.000 -8.515) 9.408 13.417 ( 2.825 -0.000 6.233) 6.843 13.484 ( 10.630 -0.000 -11.093) 15.364 13.773 ( -1.864 0.000 2.373) 3.017 13.828 ( -6.315 0.000 4.999) 8.054 13.860 ( 3.597 -0.000 0.373) 3.616 14.057 ( -12.318 0.000 -5.769) 13.602 14.061 ( -6.084 0.000 5.909) 8.482 14.189 ( 1.590 -0.000 4.581) 4.849 14.330 ( 0.193 -0.000 6.990) 6.993 14.358 ( -31.273 0.000 -2.341) 31.361 14.471 ( -17.453 0.000 -3.781) 17.858 14.473 ( -0.537 0.000 1.631) 1.717 14.691 ( -1.090 0.000 0.375) 1.152 14.904 ( -2.986 0.000 -9.552) 10.008 15.047 ( -3.498 0.000 0.020) 3.498 15.078 ( -0.527 0.000 11.547) 11.559 15.203 ( -0.914 0.000 -10.032) 10.073 15.227 ( -6.007 0.000 0.566) 6.033 15.627 ( -3.940 0.000 -1.702) 4.292 15.807 ( -1.339 0.000 -4.927) 5.106 15.940 ( -9.065 0.000 -6.574) 11.198 15.943 ( 3.918 -0.000 -4.634) 6.069 16.201 ( 6.414 -0.000 0.231) 6.418 16.259 ( 8.456 -0.000 -0.135) 8.457 16.410 ( 15.399 -0.000 -0.408) 15.404 16.601 ( -12.143 0.000 3.457) 12.626 16.752 ( -11.332 0.000 0.660) 11.351 16.848 ( -8.475 0.000 13.624) 16.045 17.134 ( -4.514 0.000 4.141) 6.125 17.219 ( -4.518 0.000 -2.784) 5.307 17.801 ( 12.611 -0.000 3.322) 13.042 17.886 ( 8.204 -0.000 0.301) 8.210 18.262 ( 0.856 -0.000 3.390) 3.497 18.270 ( -4.542 0.000 -0.666) 4.591 18.439 ( 4.679 -0.000 -5.917) 7.543 18.634 ( 3.857 -0.000 -1.268) 4.060 18.705 ( -8.009 0.000 -0.550) 8.028 18.798 ( -2.086 0.000 6.157) 6.501 19.019 ( 3.893 -0.000 5.136) 6.445 19.074 ( 8.967 -0.000 6.690) 11.188 19.240 ( -6.138 0.000 -16.441) 17.549 19.308 ( 0.254 -0.000 -6.982) 6.986 19.431 ( -0.028 0.000 -0.706) 0.706 19.537 ( -6.887 0.000 -2.302) 7.262 19.678 ( 10.060 -0.000 -0.047) 10.061 19.774 ( -1.061 0.000 10.215) 10.270 19.959 ( 1.048 -0.000 -7.839) 7.909 20.041 ( -5.858 0.000 0.460) 5.876 20.353 ( 6.972 -0.000 -4.127) 8.102 20.483 ( -1.483 0.000 0.653) 1.621 20.958 ( -2.339 0.000 13.342) 13.546 21.097 ( -3.159 0.000 -7.777) 8.394 21.629 ( -0.921 0.000 5.448) 5.526 21.656 ( 0.689 -0.000 -3.004) 3.082 23.228 ( 2.136 -0.000 1.004) 2.360 23.254 ( 0.656 -0.000 -0.476) 0.811 23.308 ( 8.012 -0.000 5.652) 9.805 23.462 ( 0.465 -0.000 -2.113) 2.163 23.673 ( -3.517 0.000 0.649) 3.576 23.711 ( 0.724 -0.000 -4.273) 4.333 24.017 ( -3.257 0.000 -9.454) 9.999 24.028 ( -6.217 0.000 5.704) 8.437 24.184 ( 6.990 -0.000 2.154) 7.314 24.426 ( -5.864 0.000 0.326) 5.873 25.948 ( 9.197 -0.000 1.241) 9.280 26.111 ( -2.576 0.000 -1.113) 2.806 26.458 ( 0.128 -0.000 -5.103) 5.104 26.462 ( -4.291 0.000 5.463) 6.947 ======================= Grid point 207 (95/95) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.248 ( -2.663 10.385 -27.639) 29.646 5.248 ( 2.663 10.385 27.639) 29.646 5.806 ( -11.193 22.323 0.414) 24.975 5.806 ( 11.193 22.323 -0.414) 24.975 6.238 ( 3.671 -6.229 -6.337) 9.614 6.238 ( -3.671 -6.229 6.337) 9.614 6.838 ( 0.444 7.093 -6.673) 9.748 6.838 ( -0.444 7.093 6.673) 9.748 7.043 ( -2.258 9.410 -10.533) 14.303 7.043 ( 2.258 9.410 10.533) 14.303 7.297 ( 4.457 10.162 -6.182) 12.702 7.297 ( -4.457 10.162 6.182) 12.702 7.735 ( -6.410 6.770 -2.764) 9.724 7.735 ( 6.410 6.770 2.764) 9.724 7.872 ( -2.724 -6.590 -6.180) 9.436 7.872 ( 2.724 -6.590 6.180) 9.436 8.409 ( -5.057 5.644 -10.771) 13.170 8.409 ( 5.057 5.644 10.771) 13.170 8.517 ( -3.338 10.049 -2.552) 10.892 8.517 ( 3.338 10.049 2.552) 10.892 8.695 ( -8.037 6.206 -8.032) 12.947 8.695 ( 8.037 6.206 8.032) 12.947 8.874 ( -7.509 -9.988 -16.134) 20.407 8.874 ( 7.509 -9.988 16.134) 20.407 9.487 ( -4.530 2.642 -6.404) 8.277 9.487 ( 4.530 2.642 6.404) 8.277 9.676 ( -1.224 1.406 -3.839) 4.268 9.676 ( 1.224 1.406 3.839) 4.268 9.838 ( -0.409 -1.072 -7.890) 7.973 9.838 ( 0.409 -1.072 7.890) 7.973 10.211 ( 0.285 4.406 -5.927) 7.391 10.211 ( -0.285 4.406 5.927) 7.391 10.417 ( -11.055 7.255 0.697) 13.241 10.417 ( 11.055 7.255 -0.697) 13.241 10.766 ( -5.359 -4.570 -5.249) 8.783 10.766 ( 5.359 -4.570 5.249) 8.783 11.224 ( 0.218 17.157 -18.131) 24.963 11.224 ( -0.218 17.157 18.131) 24.963 11.530 ( -26.853 12.189 0.351) 29.492 11.530 ( 26.853 12.189 -0.351) 29.492 11.604 ( 3.016 7.554 -10.699) 13.440 11.604 ( -3.016 7.554 10.699) 13.440 11.949 ( 0.415 -6.684 -6.345) 9.226 11.949 ( -0.415 -6.684 6.345) 9.226 12.298 ( 3.760 -8.153 -5.175) 10.363 12.298 ( -3.760 -8.153 5.175) 10.363 12.482 ( -1.429 -11.568 -5.858) 13.045 12.482 ( 1.429 -11.568 5.858) 13.045 12.913 ( -9.527 -8.431 -5.275) 13.772 12.913 ( 9.527 -8.431 5.275) 13.772 13.314 ( -0.434 -0.203 -11.801) 11.811 13.314 ( 0.434 -0.203 11.801) 11.811 13.564 ( -10.961 5.490 -0.265) 12.262 13.564 ( 10.961 5.490 0.265) 12.262 13.721 ( -9.082 -5.419 -9.744) 14.380 13.721 ( 9.082 -5.419 9.744) 14.380 13.906 ( -1.117 1.244 -1.807) 2.462 13.906 ( 1.117 1.244 1.807) 2.462 14.158 ( -1.974 -9.530 -4.316) 10.647 14.158 ( 1.974 -9.530 4.316) 10.647 14.282 ( -3.877 -3.490 -4.472) 6.872 14.282 ( 3.877 -3.490 4.472) 6.872 14.429 ( -0.751 -4.188 -8.255) 9.287 14.429 ( 0.751 -4.188 8.255) 9.287 14.825 ( -4.399 -2.734 -13.155) 14.138 14.825 ( 4.399 -2.734 13.155) 14.138 15.096 ( -3.676 -4.785 -3.646) 7.050 15.096 ( 3.676 -4.785 3.646) 7.050 15.199 ( -0.107 -4.596 -9.554) 10.603 15.199 ( 0.107 -4.596 9.554) 10.603 15.602 ( -4.282 8.661 -11.771) 15.228 15.602 ( 4.282 8.661 11.771) 15.228 15.922 ( -4.234 -1.361 -5.498) 7.072 15.922 ( 4.234 -1.361 5.498) 7.072 16.276 ( -4.062 4.345 -5.520) 8.115 16.276 ( 4.062 4.345 5.520) 8.115 16.547 ( -8.449 -4.521 -2.948) 10.026 16.547 ( 8.449 -4.521 2.948) 10.026 16.817 ( 1.492 -9.463 -1.359) 9.675 16.817 ( -1.492 -9.463 1.359) 9.675 17.179 ( -0.116 -4.700 -6.287) 7.851 17.179 ( 0.116 -4.700 6.287) 7.851 17.886 ( -7.006 7.986 -5.267) 11.857 17.886 ( 7.006 7.986 5.267) 11.857 18.211 ( -0.726 1.122 -5.384) 5.547 18.211 ( 0.726 1.122 5.384) 5.547 18.536 ( -4.787 3.610 -6.829) 9.088 18.536 ( 4.787 3.610 6.829) 9.088 18.717 ( 1.856 2.433 -3.840) 4.910 18.717 ( -1.856 2.433 3.840) 4.910 19.083 ( -2.657 1.611 -13.038) 13.403 19.083 ( 2.657 1.611 13.038) 13.403 19.253 ( -6.003 -2.575 -6.668) 9.335 19.253 ( 6.003 -2.575 6.668) 9.335 19.488 ( 0.869 -3.836 -2.029) 4.426 19.488 ( -0.869 -3.836 2.029) 4.426 19.740 ( 4.615 3.763 -6.651) 8.927 19.740 ( -4.615 3.763 6.651) 8.927 20.003 ( -1.558 -3.464 -5.428) 6.625 20.003 ( 1.558 -3.464 5.428) 6.625 20.404 ( -0.576 3.352 -1.321) 3.648 20.404 ( 0.576 3.352 1.321) 3.648 21.044 ( -3.289 -3.531 -9.278) 10.458 21.044 ( 3.289 -3.531 9.278) 10.458 21.642 ( 1.757 0.233 -4.330) 4.678 21.642 ( -1.757 0.233 4.330) 4.678 23.241 ( -0.285 1.967 -0.582) 2.071 23.241 ( 0.285 1.967 0.582) 2.071 23.421 ( -2.258 1.063 -4.190) 4.877 23.421 ( 2.258 1.063 4.190) 4.877 23.629 ( -5.888 3.477 -3.470) 7.667 23.629 ( 5.888 3.477 3.470) 7.667 24.052 ( 0.986 -8.193 -6.960) 10.795 24.052 ( -0.986 -8.193 6.960) 10.795 24.313 ( -6.127 0.331 -3.872) 7.256 24.313 ( 6.127 0.331 3.872) 7.256 26.031 ( -7.367 3.275 0.593) 8.084 26.031 ( 7.367 3.275 -0.593) 8.084 26.458 ( 1.158 -1.864 -5.047) 5.504 26.458 ( -1.158 -1.864 5.047) 5.504 =================== 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 3/38880 10.0 20554.189 16123.002 11837.272 0.000 147.241 0.000 3/38880 20.0 13409.433 11343.881 10065.865 0.000 -1046.052 -0.000 3/38880 30.0 6022.411 5475.043 4254.546 0.000 -65.649 -0.000 3/38880 40.0 2702.003 2507.039 1905.489 0.000 -18.132 -0.000 3/38880 50.0 1378.477 1289.363 979.278 0.000 -8.145 -0.000 3/38880 60.0 796.150 747.791 569.133 0.000 -3.281 -0.000 3/38880 70.0 506.452 476.665 364.011 0.000 -1.181 -0.000 3/38880 80.0 346.793 326.665 250.530 0.000 -0.315 -0.000 3/38880 90.0 251.386 236.827 182.486 0.000 0.042 -0.000 3/38880 100.0 190.598 179.515 138.981 0.000 0.191 -0.000 3/38880 110.0 149.817 141.040 109.689 0.000 0.254 -0.000 3/38880 120.0 121.278 114.107 89.114 0.000 0.282 -0.000 3/38880 130.0 100.594 94.584 74.148 0.000 0.294 -0.000 3/38880 140.0 85.153 80.010 62.937 0.000 0.300 -0.000 3/38880 150.0 73.330 68.852 54.325 0.000 0.302 -0.000 3/38880 160.0 64.079 60.123 47.566 -0.000 0.302 -0.000 3/38880 170.0 56.701 53.163 42.160 -0.000 0.301 -0.000 3/38880 180.0 50.717 47.520 37.765 -0.000 0.299 -0.000 3/38880 190.0 45.793 42.877 34.139 -0.000 0.297 -0.000 3/38880 200.0 41.686 39.006 31.110 -0.000 0.294 -0.000 3/38880 210.0 38.221 35.742 28.549 -0.000 0.290 -0.000 3/38880 220.0 35.266 32.958 26.361 -0.000 0.286 -0.000 3/38880 230.0 32.721 30.563 24.475 -0.000 0.282 -0.000 3/38880 240.0 30.512 28.484 22.835 -0.000 0.278 -0.000 3/38880 250.0 28.578 26.665 21.398 -0.000 0.273 -0.000 3/38880 260.0 26.873 25.062 20.129 -0.000 0.269 -0.000 3/38880 270.0 25.360 23.640 19.003 -0.000 0.264 -0.000 3/38880 280.0 24.010 22.371 17.996 -0.000 0.259 -0.000 3/38880 290.0 22.797 21.232 17.092 -0.000 0.254 -0.000 3/38880 300.0 21.703 20.205 16.275 -0.000 0.250 -0.000 3/38880 310.0 20.712 19.275 15.535 -0.000 0.245 -0.000 3/38880 320.0 19.809 18.428 14.860 -0.000 0.240 -0.000 3/38880 330.0 18.984 17.655 14.243 -0.000 0.236 -0.000 3/38880 340.0 18.227 16.945 13.677 -0.000 0.231 -0.000 3/38880 350.0 17.530 16.293 13.155 -0.000 0.227 -0.000 3/38880 360.0 16.886 15.690 12.673 -0.000 0.223 -0.000 3/38880 370.0 16.289 15.131 12.227 -0.000 0.219 -0.000 3/38880 380.0 15.735 14.613 11.812 -0.000 0.215 -0.000 3/38880 390.0 15.219 14.130 11.425 -0.000 0.211 -0.000 3/38880 400.0 14.737 13.680 11.064 -0.000 0.207 -0.000 3/38880 410.0 14.285 13.258 10.726 -0.000 0.203 -0.000 3/38880 420.0 13.862 12.863 10.408 -0.000 0.199 -0.000 3/38880 430.0 13.464 12.491 10.110 -0.000 0.196 -0.000 3/38880 440.0 13.090 12.141 9.829 -0.000 0.192 -0.000 3/38880 450.0 12.736 11.811 9.564 -0.000 0.189 -0.000 3/38880 460.0 12.402 11.500 9.313 -0.000 0.186 -0.000 3/38880 470.0 12.086 11.205 9.076 -0.000 0.182 -0.000 3/38880 480.0 11.786 10.925 8.851 -0.000 0.179 -0.000 3/38880 490.0 11.502 10.660 8.638 -0.000 0.176 -0.000 3/38880 500.0 11.231 10.408 8.435 -0.000 0.174 -0.000 3/38880 510.0 10.973 10.168 8.241 -0.000 0.171 -0.000 3/38880 520.0 10.728 9.939 8.057 -0.000 0.168 -0.000 3/38880 530.0 10.493 9.721 7.881 -0.000 0.165 -0.000 3/38880 540.0 10.269 9.512 7.713 -0.000 0.163 -0.000 3/38880 550.0 10.055 9.313 7.552 -0.000 0.160 -0.000 3/38880 560.0 9.850 9.122 7.398 -0.000 0.158 -0.000 3/38880 570.0 9.653 8.939 7.250 -0.000 0.155 -0.000 3/38880 580.0 9.465 8.764 7.109 -0.000 0.153 -0.000 3/38880 590.0 9.284 8.595 6.973 -0.000 0.151 -0.000 3/38880 600.0 9.110 8.433 6.842 -0.000 0.149 -0.000 3/38880 610.0 8.942 8.278 6.717 -0.000 0.146 -0.000 3/38880 620.0 8.781 8.128 6.596 -0.000 0.144 -0.000 3/38880 630.0 8.626 7.984 6.479 -0.000 0.142 -0.000 3/38880 640.0 8.477 7.845 6.367 -0.000 0.140 -0.000 3/38880 650.0 8.332 7.711 6.258 -0.000 0.138 -0.000 3/38880 660.0 8.193 7.581 6.154 -0.000 0.136 -0.000 3/38880 670.0 8.058 7.456 6.053 -0.000 0.135 -0.000 3/38880 680.0 7.928 7.335 5.955 -0.000 0.133 -0.000 3/38880 690.0 7.802 7.219 5.861 -0.000 0.131 -0.000 3/38880 700.0 7.681 7.106 5.769 -0.000 0.129 -0.000 3/38880 710.0 7.563 6.996 5.681 -0.000 0.128 -0.000 3/38880 720.0 7.449 6.890 5.595 -0.000 0.126 -0.000 3/38880 730.0 7.338 6.787 5.512 -0.000 0.125 -0.000 3/38880 740.0 7.231 6.688 5.431 -0.000 0.123 -0.000 3/38880 750.0 7.126 6.591 5.353 -0.000 0.122 -0.000 3/38880 760.0 7.025 6.497 5.277 -0.000 0.120 -0.000 3/38880 770.0 6.927 6.406 5.203 -0.000 0.119 -0.000 3/38880 780.0 6.832 6.318 5.131 -0.000 0.117 -0.000 3/38880 790.0 6.739 6.232 5.062 -0.000 0.116 -0.000 3/38880 800.0 6.649 6.148 4.994 -0.000 0.114 -0.000 3/38880 810.0 6.561 6.067 4.928 -0.000 0.113 -0.000 3/38880 820.0 6.475 5.987 4.864 -0.000 0.112 -0.000 3/38880 830.0 6.392 5.910 4.801 -0.000 0.111 -0.000 3/38880 840.0 6.311 5.835 4.741 -0.000 0.109 -0.000 3/38880 850.0 6.232 5.762 4.681 -0.000 0.108 -0.000 3/38880 860.0 6.155 5.691 4.623 -0.000 0.107 -0.000 3/38880 870.0 6.080 5.621 4.567 -0.000 0.106 -0.000 3/38880 880.0 6.007 5.553 4.512 -0.000 0.105 -0.000 3/38880 890.0 5.936 5.487 4.459 -0.000 0.104 -0.000 3/38880 900.0 5.866 5.423 4.406 -0.000 0.103 -0.000 3/38880 910.0 5.798 5.360 4.355 -0.000 0.101 -0.000 3/38880 920.0 5.732 5.298 4.305 -0.000 0.100 -0.000 3/38880 930.0 5.667 5.238 4.256 -0.000 0.099 -0.000 3/38880 940.0 5.603 5.179 4.209 -0.000 0.098 -0.000 3/38880 950.0 5.541 5.122 4.162 -0.000 0.097 -0.000 3/38880 960.0 5.481 5.066 4.117 -0.000 0.096 -0.000 3/38880 970.0 5.422 5.011 4.072 -0.000 0.095 -0.000 3/38880 980.0 5.364 4.957 4.029 -0.000 0.095 -0.000 3/38880 990.0 5.307 4.905 3.986 -0.000 0.094 -0.000 3/38880 1000.0 5.252 4.853 3.945 -0.000 0.093 -0.000 3/38880 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:33:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|