----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:47:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.302446860464578 0.000000000000000 0.000000000000000 b 0.000000000000000 7.324459670000000 0.000000000000000 c -6.971162181062394 0.000000000000000 11.087420591357299 Atomic positions (fractional): *1 O 0.35190297998052 0.08330572042648 0.16412143016844 15.999 2 O 0.64809702001948 0.58330572042648 0.33587856983156 15.999 3 O 0.64809702001948 0.91669427957352 0.83587856983156 15.999 4 O 0.35190297998052 0.41669427957352 0.66412143016844 15.999 *5 O 0.59014021957031 0.88100928172033 0.46175779421853 15.999 6 O 0.40985978042969 0.38100928172033 0.03824220578147 15.999 7 O 0.40985978042969 0.11899071827967 0.53824220578147 15.999 8 O 0.59014021957031 0.61899071827967 0.96175779421853 15.999 *9 O 0.59190160070463 0.36766732901920 0.47158783323148 15.999 10 O 0.40809839929537 0.86766732901920 0.02841216676852 15.999 11 O 0.40809839929537 0.63233267098080 0.52841216676852 15.999 12 O 0.59190160070463 0.13233267098080 0.97158783323148 15.999 *13 O 0.67441475433560 0.15387231440568 0.34607348256308 15.999 14 O 0.32558524566440 0.65387231440568 0.15392651743692 15.999 15 O 0.32558524566440 0.84612768559432 0.65392651743692 15.999 16 O 0.67441475433560 0.34612768559432 0.84607348256308 15.999 *17 O 0.77352038957607 0.86947470799672 0.21736393250821 15.999 18 O 0.22647961042393 0.36947470799672 0.28263606749179 15.999 19 O 0.22647961042393 0.13052529200328 0.78263606749179 15.999 20 O 0.77352038957607 0.63052529200328 0.71736393250821 15.999 *21 O 0.96464416039874 0.37699783598951 0.69009035135355 15.999 22 O 0.03535583960126 0.87699783598951 0.80990964864645 15.999 23 O 0.03535583960126 0.62300216401049 0.30990964864645 15.999 24 O 0.96464416039874 0.12300216401049 0.19009035135355 15.999 *25 O 0.92296603790902 0.06693367007871 0.57974378142781 15.999 26 O 0.07703396209098 0.56693367007871 0.92025621857219 15.999 27 O 0.07703396209098 0.93306632992129 0.42025621857219 15.999 28 O 0.92296603790902 0.43306632992129 0.07974378142781 15.999 *29 O 0.91213515898715 0.68997371057880 0.57904664928273 15.999 30 O 0.08786484101285 0.18997371057880 0.92095335071727 15.999 31 O 0.08786484101285 0.31002628942120 0.42095335071727 15.999 32 O 0.91213515898715 0.81002628942120 0.07904664928273 15.999 *33 O 0.77888539974552 0.12104759489767 0.71752762225564 15.999 34 O 0.22111460025447 0.62104759489767 0.78247237774436 15.999 35 O 0.22111460025447 0.87895240510233 0.28247237774436 15.999 36 O 0.77888539974552 0.37895240510233 0.21752762225564 15.999 *37 Cd 0.59771900467879 0.37652972792075 0.64639705869828 112.411 38 Cd 0.40228099532121 0.87652972792075 0.85360294130172 112.411 39 Cd 0.40228099532121 0.62347027207925 0.35360294130172 112.411 40 Cd 0.59771900467879 0.12347027207925 0.14639705869828 112.411 *41 Cd 0.40558784451926 0.37481190809990 0.85566498312846 112.411 42 Cd 0.59441215548074 0.87481190809990 0.64433501687154 112.411 43 Cd 0.59441215548074 0.62518809190010 0.14433501687154 112.411 44 Cd 0.40558784451926 0.12518809190010 0.35566498312846 112.411 *45 Te 0.99700088617760 0.87223905559888 0.24857001138329 127.600 46 Te 0.00299911382240 0.37223905559888 0.25142998861671 127.600 47 Te 0.00299911382240 0.12776094440112 0.75142998861671 127.600 48 Te 0.99700088617760 0.62776094440112 0.74857001138329 127.600 *49 Te 0.78576374613973 0.61555683266833 0.95268137089397 127.600 50 Te 0.21423625386027 0.11555683266833 0.54731862910603 127.600 51 Te 0.21423625386027 0.38444316733167 0.04731862910603 127.600 52 Te 0.78576374613973 0.88444316733167 0.45268137089397 127.600 *53 Te 0.76807699052050 0.12117183311333 0.93868489672684 127.600 54 Te 0.23192300947950 0.62117183311333 0.56131510327316 127.600 55 Te 0.23192300947950 0.87882816688667 0.06131510327316 127.600 56 Te 0.76807699052050 0.37882816688667 0.43868489672684 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.302446860464578 0.000000000000000 0.000000000000000 b 0.000000000000000 7.324459670000000 0.000000000000000 c -6.971162181062394 0.000000000000000 11.087420591357299 Atomic positions (fractional): *1 O 0.35190297998052 0.08330572042648 0.16412143016844 15.999 > 1 2 O 0.64809702001948 0.58330572042648 0.33587856983156 15.999 > 2 3 O 0.64809702001948 0.91669427957352 0.83587856983156 15.999 > 3 4 O 0.35190297998052 0.41669427957352 0.66412143016844 15.999 > 4 *5 O 0.59014021957031 0.88100928172033 0.46175779421853 15.999 > 5 6 O 0.40985978042969 0.38100928172033 0.03824220578147 15.999 > 6 7 O 0.40985978042969 0.11899071827967 0.53824220578147 15.999 > 7 8 O 0.59014021957031 0.61899071827967 0.96175779421853 15.999 > 8 *9 O 0.59190160070463 0.36766732901920 0.47158783323148 15.999 > 9 10 O 0.40809839929537 0.86766732901920 0.02841216676852 15.999 > 10 11 O 0.40809839929537 0.63233267098080 0.52841216676852 15.999 > 11 12 O 0.59190160070463 0.13233267098080 0.97158783323148 15.999 > 12 *13 O 0.67441475433560 0.15387231440568 0.34607348256308 15.999 > 13 14 O 0.32558524566440 0.65387231440568 0.15392651743692 15.999 > 14 15 O 0.32558524566440 0.84612768559432 0.65392651743692 15.999 > 15 16 O 0.67441475433560 0.34612768559432 0.84607348256308 15.999 > 16 *17 O 0.77352038957607 0.86947470799672 0.21736393250821 15.999 > 17 18 O 0.22647961042393 0.36947470799672 0.28263606749179 15.999 > 18 19 O 0.22647961042393 0.13052529200328 0.78263606749179 15.999 > 19 20 O 0.77352038957607 0.63052529200328 0.71736393250821 15.999 > 20 *21 O 0.96464416039874 0.37699783598951 0.69009035135355 15.999 > 21 22 O 0.03535583960126 0.87699783598951 0.80990964864645 15.999 > 22 23 O 0.03535583960126 0.62300216401049 0.30990964864645 15.999 > 23 24 O 0.96464416039874 0.12300216401049 0.19009035135355 15.999 > 24 *25 O 0.92296603790902 0.06693367007871 0.57974378142781 15.999 > 25 26 O 0.07703396209098 0.56693367007871 0.92025621857219 15.999 > 26 27 O 0.07703396209098 0.93306632992129 0.42025621857219 15.999 > 27 28 O 0.92296603790902 0.43306632992129 0.07974378142781 15.999 > 28 *29 O 0.91213515898715 0.68997371057880 0.57904664928273 15.999 > 29 30 O 0.08786484101285 0.18997371057880 0.92095335071727 15.999 > 30 31 O 0.08786484101285 0.31002628942120 0.42095335071727 15.999 > 31 32 O 0.91213515898715 0.81002628942120 0.07904664928273 15.999 > 32 *33 O 0.77888539974552 0.12104759489767 0.71752762225564 15.999 > 33 34 O 0.22111460025447 0.62104759489767 0.78247237774436 15.999 > 34 35 O 0.22111460025447 0.87895240510233 0.28247237774436 15.999 > 35 36 O 0.77888539974552 0.37895240510233 0.21752762225564 15.999 > 36 *37 Cd 0.59771900467879 0.37652972792075 0.64639705869828 112.411 > 37 38 Cd 0.40228099532121 0.87652972792075 0.85360294130172 112.411 > 38 39 Cd 0.40228099532121 0.62347027207925 0.35360294130172 112.411 > 39 40 Cd 0.59771900467879 0.12347027207925 0.14639705869828 112.411 > 40 *41 Cd 0.40558784451926 0.37481190809990 0.85566498312846 112.411 > 41 42 Cd 0.59441215548074 0.87481190809990 0.64433501687154 112.411 > 42 43 Cd 0.59441215548074 0.62518809190010 0.14433501687154 112.411 > 43 44 Cd 0.40558784451926 0.12518809190010 0.35566498312846 112.411 > 44 *45 Te 0.99700088617760 0.87223905559888 0.24857001138329 127.600 > 45 46 Te 0.00299911382240 0.37223905559888 0.25142998861671 127.600 > 46 47 Te 0.00299911382240 0.12776094440112 0.75142998861671 127.600 > 47 48 Te 0.99700088617760 0.62776094440112 0.74857001138329 127.600 > 48 *49 Te 0.78576374613973 0.61555683266833 0.95268137089397 127.600 > 49 50 Te 0.21423625386027 0.11555683266833 0.54731862910603 127.600 > 50 51 Te 0.21423625386027 0.38444316733167 0.04731862910603 127.600 > 51 52 Te 0.78576374613973 0.88444316733167 0.45268137089397 127.600 > 52 *53 Te 0.76807699052050 0.12117183311333 0.93868489672684 127.600 > 53 54 Te 0.23192300947950 0.62117183311333 0.56131510327316 127.600 > 54 55 Te 0.23192300947950 0.87882816688667 0.06131510327316 127.600 > 55 56 Te 0.76807699052050 0.37882816688667 0.43868489672684 127.600 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.302446860464578 0.000000000000000 0.000000000000000 b 0.000000000000000 14.648919340000001 0.000000000000000 c -6.971162181062394 0.000000000000000 11.087420591357299 Atomic positions (fractional): *1 O 0.35190297998052 0.04165286021324 0.16412143016844 15.999 > 1 2 O 0.35190297998052 0.54165286021324 0.16412143016844 15.999 > 1 3 O 0.64809702001948 0.29165286021324 0.33587856983156 15.999 > 2 4 O 0.64809702001948 0.79165286021324 0.33587856983156 15.999 > 2 5 O 0.64809702001948 0.45834713978676 0.83587856983156 15.999 > 3 6 O 0.64809702001948 0.95834713978676 0.83587856983156 15.999 > 3 7 O 0.35190297998052 0.20834713978676 0.66412143016844 15.999 > 4 8 O 0.35190297998052 0.70834713978676 0.66412143016844 15.999 > 4 *9 O 0.59014021957031 0.44050464086017 0.46175779421853 15.999 > 5 10 O 0.59014021957031 0.94050464086017 0.46175779421853 15.999 > 5 11 O 0.40985978042969 0.19050464086017 0.03824220578147 15.999 > 6 12 O 0.40985978042969 0.69050464086017 0.03824220578147 15.999 > 6 13 O 0.40985978042969 0.05949535913983 0.53824220578147 15.999 > 7 14 O 0.40985978042969 0.55949535913983 0.53824220578147 15.999 > 7 15 O 0.59014021957031 0.30949535913983 0.96175779421853 15.999 > 8 16 O 0.59014021957031 0.80949535913983 0.96175779421853 15.999 > 8 *17 O 0.59190160070463 0.18383366450960 0.47158783323148 15.999 > 9 18 O 0.59190160070463 0.68383366450960 0.47158783323148 15.999 > 9 19 O 0.40809839929537 0.43383366450960 0.02841216676852 15.999 > 10 20 O 0.40809839929537 0.93383366450960 0.02841216676852 15.999 > 10 21 O 0.40809839929537 0.31616633549040 0.52841216676852 15.999 > 11 22 O 0.40809839929537 0.81616633549040 0.52841216676852 15.999 > 11 23 O 0.59190160070463 0.06616633549040 0.97158783323148 15.999 > 12 24 O 0.59190160070463 0.56616633549040 0.97158783323148 15.999 > 12 *25 O 0.67441475433560 0.07693615720284 0.34607348256308 15.999 > 13 26 O 0.67441475433560 0.57693615720284 0.34607348256308 15.999 > 13 27 O 0.32558524566440 0.32693615720284 0.15392651743692 15.999 > 14 28 O 0.32558524566440 0.82693615720284 0.15392651743692 15.999 > 14 29 O 0.32558524566440 0.42306384279716 0.65392651743692 15.999 > 15 30 O 0.32558524566440 0.92306384279716 0.65392651743692 15.999 > 15 31 O 0.67441475433560 0.17306384279716 0.84607348256308 15.999 > 16 32 O 0.67441475433560 0.67306384279716 0.84607348256308 15.999 > 16 *33 O 0.77352038957607 0.43473735399836 0.21736393250821 15.999 > 17 34 O 0.77352038957607 0.93473735399836 0.21736393250821 15.999 > 17 35 O 0.22647961042393 0.18473735399836 0.28263606749179 15.999 > 18 36 O 0.22647961042393 0.68473735399836 0.28263606749179 15.999 > 18 37 O 0.22647961042393 0.06526264600164 0.78263606749179 15.999 > 19 38 O 0.22647961042393 0.56526264600164 0.78263606749179 15.999 > 19 39 O 0.77352038957607 0.31526264600164 0.71736393250821 15.999 > 20 40 O 0.77352038957607 0.81526264600164 0.71736393250821 15.999 > 20 *41 O 0.96464416039874 0.18849891799476 0.69009035135355 15.999 > 21 42 O 0.96464416039874 0.68849891799476 0.69009035135355 15.999 > 21 43 O 0.03535583960126 0.43849891799476 0.80990964864645 15.999 > 22 44 O 0.03535583960126 0.93849891799476 0.80990964864645 15.999 > 22 45 O 0.03535583960126 0.31150108200524 0.30990964864645 15.999 > 23 46 O 0.03535583960126 0.81150108200524 0.30990964864645 15.999 > 23 47 O 0.96464416039874 0.06150108200524 0.19009035135355 15.999 > 24 48 O 0.96464416039874 0.56150108200524 0.19009035135355 15.999 > 24 *49 O 0.92296603790902 0.03346683503936 0.57974378142781 15.999 > 25 50 O 0.92296603790902 0.53346683503936 0.57974378142781 15.999 > 25 51 O 0.07703396209098 0.28346683503936 0.92025621857219 15.999 > 26 52 O 0.07703396209098 0.78346683503936 0.92025621857219 15.999 > 26 53 O 0.07703396209098 0.46653316496064 0.42025621857219 15.999 > 27 54 O 0.07703396209098 0.96653316496064 0.42025621857219 15.999 > 27 55 O 0.92296603790902 0.21653316496064 0.07974378142781 15.999 > 28 56 O 0.92296603790902 0.71653316496064 0.07974378142781 15.999 > 28 *57 O 0.91213515898715 0.34498685528940 0.57904664928273 15.999 > 29 58 O 0.91213515898715 0.84498685528940 0.57904664928273 15.999 > 29 59 O 0.08786484101285 0.09498685528940 0.92095335071727 15.999 > 30 60 O 0.08786484101285 0.59498685528940 0.92095335071727 15.999 > 30 61 O 0.08786484101285 0.15501314471060 0.42095335071727 15.999 > 31 62 O 0.08786484101285 0.65501314471060 0.42095335071727 15.999 > 31 63 O 0.91213515898715 0.40501314471060 0.07904664928273 15.999 > 32 64 O 0.91213515898715 0.90501314471060 0.07904664928273 15.999 > 32 *65 O 0.77888539974552 0.06052379744883 0.71752762225564 15.999 > 33 66 O 0.77888539974552 0.56052379744883 0.71752762225564 15.999 > 33 67 O 0.22111460025447 0.31052379744883 0.78247237774436 15.999 > 34 68 O 0.22111460025447 0.81052379744883 0.78247237774436 15.999 > 34 69 O 0.22111460025447 0.43947620255117 0.28247237774436 15.999 > 35 70 O 0.22111460025447 0.93947620255117 0.28247237774436 15.999 > 35 71 O 0.77888539974552 0.18947620255117 0.21752762225564 15.999 > 36 72 O 0.77888539974552 0.68947620255117 0.21752762225564 15.999 > 36 *73 Cd 0.59771900467879 0.18826486396038 0.64639705869828 112.411 > 37 74 Cd 0.59771900467879 0.68826486396038 0.64639705869828 112.411 > 37 75 Cd 0.40228099532121 0.43826486396038 0.85360294130172 112.411 > 38 76 Cd 0.40228099532121 0.93826486396038 0.85360294130172 112.411 > 38 77 Cd 0.40228099532121 0.31173513603962 0.35360294130172 112.411 > 39 78 Cd 0.40228099532121 0.81173513603962 0.35360294130172 112.411 > 39 79 Cd 0.59771900467879 0.06173513603962 0.14639705869828 112.411 > 40 80 Cd 0.59771900467879 0.56173513603962 0.14639705869828 112.411 > 40 *81 Cd 0.40558784451926 0.18740595404995 0.85566498312846 112.411 > 41 82 Cd 0.40558784451926 0.68740595404995 0.85566498312846 112.411 > 41 83 Cd 0.59441215548074 0.43740595404995 0.64433501687154 112.411 > 42 84 Cd 0.59441215548074 0.93740595404995 0.64433501687154 112.411 > 42 85 Cd 0.59441215548074 0.31259404595005 0.14433501687154 112.411 > 43 86 Cd 0.59441215548074 0.81259404595005 0.14433501687154 112.411 > 43 87 Cd 0.40558784451926 0.06259404595005 0.35566498312846 112.411 > 44 88 Cd 0.40558784451926 0.56259404595005 0.35566498312846 112.411 > 44 *89 Te 0.99700088617760 0.43611952779944 0.24857001138329 127.600 > 45 90 Te 0.99700088617760 0.93611952779944 0.24857001138329 127.600 > 45 91 Te 0.00299911382240 0.18611952779944 0.25142998861671 127.600 > 46 92 Te 0.00299911382240 0.68611952779944 0.25142998861671 127.600 > 46 93 Te 0.00299911382240 0.06388047220056 0.75142998861671 127.600 > 47 94 Te 0.00299911382240 0.56388047220056 0.75142998861671 127.600 > 47 95 Te 0.99700088617760 0.31388047220056 0.74857001138329 127.600 > 48 96 Te 0.99700088617760 0.81388047220056 0.74857001138329 127.600 > 48 *97 Te 0.78576374613973 0.30777841633416 0.95268137089397 127.600 > 49 98 Te 0.78576374613973 0.80777841633416 0.95268137089397 127.600 > 49 99 Te 0.21423625386027 0.05777841633416 0.54731862910603 127.600 > 50 100 Te 0.21423625386027 0.55777841633416 0.54731862910603 127.600 > 50 101 Te 0.21423625386027 0.19222158366584 0.04731862910603 127.600 > 51 102 Te 0.21423625386027 0.69222158366584 0.04731862910603 127.600 > 51 103 Te 0.78576374613973 0.44222158366584 0.45268137089397 127.600 > 52 104 Te 0.78576374613973 0.94222158366584 0.45268137089397 127.600 > 52 *105 Te 0.76807699052050 0.06058591655667 0.93868489672684 127.600 > 53 106 Te 0.76807699052050 0.56058591655667 0.93868489672684 127.600 > 53 107 Te 0.23192300947950 0.31058591655667 0.56131510327316 127.600 > 54 108 Te 0.23192300947950 0.81058591655667 0.56131510327316 127.600 > 54 109 Te 0.23192300947950 0.43941408344333 0.06131510327316 127.600 > 55 110 Te 0.23192300947950 0.93941408344333 0.06131510327316 127.600 > 55 111 Te 0.76807699052050 0.18941408344333 0.43868489672684 127.600 > 56 112 Te 0.76807699052050 0.68941408344333 0.43868489672684 127.600 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8581750 0.0000000 0.0133043 0.0000000 5.8214092 0.0000000 0.0133029 0.0000000 5.1480171 -------------------------- Born effective charges -------------------------- 1 O -1.3143468 0.1630609 0.2825846 -0.3508811 -3.4103572 -0.5919906 -0.2493048 -0.1926023 -1.9879567 2 O -1.3143468 -0.1630609 0.2825846 0.3508811 -3.4103572 0.5919906 -0.2493048 0.1926023 -1.9879567 3 O -1.3143468 0.1630609 0.2825846 -0.3508811 -3.4103572 -0.5919906 -0.2493048 -0.1926023 -1.9879567 4 O -1.3143468 -0.1630609 0.2825846 0.3508811 -3.4103572 0.5919906 -0.2493048 0.1926023 -1.9879567 5 O -2.9333773 0.0442639 0.1178445 -0.1354563 -1.5457056 0.0089871 -0.5255187 0.0794891 -1.3274495 6 O -2.9333773 -0.0442639 0.1178445 0.1354563 -1.5457056 -0.0089871 -0.5255187 -0.0794891 -1.3274495 7 O -2.9333773 0.0442639 0.1178445 -0.1354563 -1.5457056 0.0089871 -0.5255187 0.0794891 -1.3274495 8 O -2.9333773 -0.0442639 0.1178445 0.1354563 -1.5457056 -0.0089871 -0.5255187 -0.0794891 -1.3274495 9 O -2.7563609 -0.1151794 0.0555383 -0.0143950 -1.4425031 -0.0535652 0.4676167 -0.0104577 -1.4491961 10 O -2.7563609 0.1151794 0.0555383 0.0143950 -1.4425031 0.0535652 0.4676167 0.0104577 -1.4491961 11 O -2.7563609 -0.1151794 0.0555383 -0.0143950 -1.4425031 -0.0535652 0.4676167 -0.0104577 -1.4491961 12 O -2.7563609 0.1151794 0.0555383 0.0143950 -1.4425031 0.0535652 0.4676167 0.0104577 -1.4491961 13 O -1.2052506 0.2053679 0.2824251 -0.1548794 -4.1047806 -0.3828740 -0.1652908 0.2501934 -1.9112315 14 O -1.2052506 -0.2053679 0.2824251 0.1548794 -4.1047806 0.3828740 -0.1652908 -0.2501934 -1.9112315 15 O -1.2052506 0.2053679 0.2824251 -0.1548794 -4.1047806 -0.3828740 -0.1652908 0.2501934 -1.9112315 16 O -1.2052506 -0.2053679 0.2824251 0.1548794 -4.1047806 0.3828740 -0.1652908 -0.2501934 -1.9112315 17 O -2.4476196 0.0270009 -0.1854506 0.0558845 -1.7590760 -0.1400057 0.1921131 -0.0039434 -1.6594711 18 O -2.4476196 -0.0270009 -0.1854506 -0.0558845 -1.7590760 0.1400057 0.1921131 0.0039434 -1.6594711 19 O -2.4476196 0.0270009 -0.1854506 0.0558845 -1.7590760 -0.1400057 0.1921131 -0.0039434 -1.6594711 20 O -2.4476196 -0.0270009 -0.1854506 -0.0558845 -1.7590760 0.1400057 0.1921131 0.0039434 -1.6594711 21 O -1.1774755 -0.0251049 -0.1763532 0.0519186 -4.0448538 -0.0048205 0.0818934 0.0870212 -1.8893073 22 O -1.1774755 0.0251049 -0.1763532 -0.0519186 -4.0448538 0.0048205 0.0818934 -0.0870212 -1.8893073 23 O -1.1774755 -0.0251049 -0.1763532 0.0519186 -4.0448538 -0.0048205 0.0818934 0.0870212 -1.8893073 24 O -1.1774755 0.0251049 -0.1763532 -0.0519186 -4.0448538 0.0048205 0.0818934 -0.0870212 -1.8893073 25 O -1.5341290 -0.2754877 -0.2300970 -0.0383130 -2.4245466 -1.3292317 0.2642874 -0.6911622 -3.3447588 26 O -1.5341290 0.2754877 -0.2300970 0.0383130 -2.4245466 1.3292317 0.2642874 0.6911622 -3.3447588 27 O -1.5341290 -0.2754877 -0.2300970 -0.0383130 -2.4245466 -1.3292317 0.2642874 -0.6911622 -3.3447588 28 O -1.5341290 0.2754877 -0.2300970 0.0383130 -2.4245466 1.3292317 0.2642874 0.6911622 -3.3447588 29 O -1.3540729 0.2290791 -0.2151411 -0.0253782 -2.6219003 1.4223036 0.1915885 0.7321662 -3.3662012 30 O -1.3540729 -0.2290791 -0.2151411 0.0253782 -2.6219003 -1.4223036 0.1915885 -0.7321662 -3.3662012 31 O -1.3540729 0.2290791 -0.2151411 -0.0253782 -2.6219003 1.4223036 0.1915885 0.7321662 -3.3662012 32 O -1.3540729 -0.2290791 -0.2151411 0.0253782 -2.6219003 -1.4223036 0.1915885 -0.7321662 -3.3662012 33 O -2.4949016 0.0129995 -0.0645407 -0.0177296 -1.6855133 -0.1439884 0.0466906 -0.0109019 -1.6584873 34 O -2.4949016 -0.0129995 -0.0645407 0.0177296 -1.6855133 0.1439884 0.0466906 0.0109019 -1.6584873 35 O -2.4949016 0.0129995 -0.0645407 -0.0177296 -1.6855133 -0.1439884 0.0466906 -0.0109019 -1.6584873 36 O -2.4949016 -0.0129995 -0.0645407 0.0177296 -1.6855133 0.1439884 0.0466906 0.0109019 -1.6584873 37 Cd 2.7734747 0.0146544 0.0726481 -0.0686917 2.3823115 -0.0223088 0.2052338 0.0589359 2.8043951 38 Cd 2.7734747 -0.0146544 0.0726481 0.0686917 2.3823115 0.0223088 0.2052338 -0.0589359 2.8043951 39 Cd 2.7734747 0.0146544 0.0726481 -0.0686917 2.3823115 -0.0223088 0.2052338 0.0589359 2.8043951 40 Cd 2.7734747 -0.0146544 0.0726481 0.0686917 2.3823115 0.0223088 0.2052338 -0.0589359 2.8043951 41 Cd 2.7184054 0.0570501 0.1319526 0.0091517 2.4159645 -0.1638966 0.3152635 0.0372378 2.6603526 42 Cd 2.7184054 -0.0570501 0.1319526 -0.0091517 2.4159645 0.1638966 0.3152635 -0.0372378 2.6603526 43 Cd 2.7184054 0.0570501 0.1319526 0.0091517 2.4159645 -0.1638966 0.3152635 0.0372378 2.6603526 44 Cd 2.7184054 -0.0570501 0.1319526 -0.0091517 2.4159645 0.1638966 0.3152635 -0.0372378 2.6603526 45 Te 4.6854272 -0.0961092 0.3487116 -0.2875193 6.1614378 0.2107645 -0.9616955 0.0023646 5.9051604 46 Te 4.6854272 0.0961092 0.3487116 0.2875193 6.1614378 -0.2107645 -0.9616955 -0.0023646 5.9051604 47 Te 4.6854272 -0.0961092 0.3487116 -0.2875193 6.1614378 0.2107645 -0.9616955 0.0023646 5.9051604 48 Te 4.6854272 0.0961092 0.3487116 0.2875193 6.1614378 -0.2107645 -0.9616955 -0.0023646 5.9051604 49 Te 3.7361954 -0.1433998 0.2774314 -0.2053832 6.5946619 0.5057614 0.5776820 0.4570871 4.0855094 50 Te 3.7361954 0.1433998 0.2774314 0.2053832 6.5946619 -0.5057614 0.5776820 -0.4570871 4.0855094 51 Te 3.7361954 -0.1433998 0.2774314 -0.2053832 6.5946619 0.5057614 0.5776820 0.4570871 4.0855094 52 Te 3.7361954 0.1433998 0.2774314 0.2053832 6.5946619 -0.5057614 0.5776820 -0.4570871 4.0855094 53 Te 3.3040318 0.0805886 -0.6975537 0.1657411 5.4848608 -0.1400604 -0.4405593 0.1110353 3.1386419 54 Te 3.3040318 -0.0805886 -0.6975537 -0.1657411 5.4848608 0.1400604 -0.4405593 -0.1110353 3.1386419 55 Te 3.3040318 0.0805886 -0.6975537 0.1657411 5.4848608 -0.1400604 -0.4405593 0.1110353 3.1386419 56 Te 3.3040318 -0.0805886 -0.6975537 -0.1657411 5.4848608 0.1400604 -0.4405593 -0.1110353 3.1386419 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.995 Solver_block: 200 / 1680 - Time: 2.773 Solver_block: 300 / 1680 - Time: 3.512 Solver_block: 400 / 1680 - Time: 3.647 Solver_block: 500 / 1680 - Time: 3.325 Solver_block: 600 / 1680 - Time: 3.272 Solver_block: 700 / 1680 - Time: 3.738 Solver_block: 800 / 1680 - Time: 3.164 Solver_block: 900 / 1680 - Time: 2.263 Solver_block: 1000 / 1680 - Time: 2.649 Solver_block: 1100 / 1680 - Time: 3.427 Solver_block: 1200 / 1680 - Time: 3.231 Solver_block: 1300 / 1680 - Time: 3.556 Solver_block: 1400 / 1680 - Time: 3.486 Solver_block: 1500 / 1680 - Time: 3.451 Solver_block: 1600 / 1680 - Time: 2.814 Solver_block: 1680 / 1680 - Time: 1.340 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 53.416 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:49:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:49:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.302446860464578 0.000000000000000 0.000000000000000 b 0.000000000000000 7.324459670000000 0.000000000000000 c -6.971162181062394 0.000000000000000 11.087420591357299 Atomic positions (fractional): 1 O 0.35190297998052 0.08330572042648 0.16412143016844 15.999 2 O 0.64809702001948 0.58330572042648 0.33587856983156 15.999 3 O 0.64809702001948 0.91669427957352 0.83587856983156 15.999 4 O 0.35190297998052 0.41669427957352 0.66412143016844 15.999 5 O 0.59014021957031 0.88100928172033 0.46175779421853 15.999 6 O 0.40985978042969 0.38100928172033 0.03824220578147 15.999 7 O 0.40985978042969 0.11899071827967 0.53824220578147 15.999 8 O 0.59014021957031 0.61899071827967 0.96175779421853 15.999 9 O 0.59190160070463 0.36766732901920 0.47158783323148 15.999 10 O 0.40809839929537 0.86766732901920 0.02841216676852 15.999 11 O 0.40809839929537 0.63233267098080 0.52841216676852 15.999 12 O 0.59190160070463 0.13233267098080 0.97158783323148 15.999 13 O 0.67441475433560 0.15387231440568 0.34607348256308 15.999 14 O 0.32558524566440 0.65387231440568 0.15392651743692 15.999 15 O 0.32558524566440 0.84612768559432 0.65392651743692 15.999 16 O 0.67441475433560 0.34612768559432 0.84607348256308 15.999 17 O 0.77352038957607 0.86947470799672 0.21736393250821 15.999 18 O 0.22647961042393 0.36947470799672 0.28263606749179 15.999 19 O 0.22647961042393 0.13052529200328 0.78263606749179 15.999 20 O 0.77352038957607 0.63052529200328 0.71736393250821 15.999 21 O 0.96464416039874 0.37699783598951 0.69009035135355 15.999 22 O 0.03535583960126 0.87699783598951 0.80990964864645 15.999 23 O 0.03535583960126 0.62300216401049 0.30990964864645 15.999 24 O 0.96464416039874 0.12300216401049 0.19009035135355 15.999 25 O 0.92296603790902 0.06693367007871 0.57974378142781 15.999 26 O 0.07703396209098 0.56693367007871 0.92025621857219 15.999 27 O 0.07703396209098 0.93306632992129 0.42025621857219 15.999 28 O 0.92296603790902 0.43306632992129 0.07974378142781 15.999 29 O 0.91213515898715 0.68997371057880 0.57904664928273 15.999 30 O 0.08786484101285 0.18997371057880 0.92095335071727 15.999 31 O 0.08786484101285 0.31002628942120 0.42095335071727 15.999 32 O 0.91213515898715 0.81002628942120 0.07904664928273 15.999 33 O 0.77888539974552 0.12104759489767 0.71752762225564 15.999 34 O 0.22111460025447 0.62104759489767 0.78247237774436 15.999 35 O 0.22111460025447 0.87895240510233 0.28247237774436 15.999 36 O 0.77888539974552 0.37895240510233 0.21752762225564 15.999 37 Cd 0.59771900467879 0.37652972792075 0.64639705869828 112.411 38 Cd 0.40228099532121 0.87652972792075 0.85360294130172 112.411 39 Cd 0.40228099532121 0.62347027207925 0.35360294130172 112.411 40 Cd 0.59771900467879 0.12347027207925 0.14639705869828 112.411 41 Cd 0.40558784451926 0.37481190809990 0.85566498312846 112.411 42 Cd 0.59441215548074 0.87481190809990 0.64433501687154 112.411 43 Cd 0.59441215548074 0.62518809190010 0.14433501687154 112.411 44 Cd 0.40558784451926 0.12518809190010 0.35566498312846 112.411 45 Te 0.99700088617760 0.87223905559888 0.24857001138329 127.600 46 Te 0.00299911382240 0.37223905559888 0.25142998861671 127.600 47 Te 0.00299911382240 0.12776094440112 0.75142998861671 127.600 48 Te 0.99700088617760 0.62776094440112 0.74857001138329 127.600 49 Te 0.78576374613973 0.61555683266833 0.95268137089397 127.600 50 Te 0.21423625386027 0.11555683266833 0.54731862910603 127.600 51 Te 0.21423625386027 0.38444316733167 0.04731862910603 127.600 52 Te 0.78576374613973 0.88444316733167 0.45268137089397 127.600 53 Te 0.76807699052050 0.12117183311333 0.93868489672684 127.600 54 Te 0.23192300947950 0.62117183311333 0.56131510327316 127.600 55 Te 0.23192300947950 0.87882816688667 0.06131510327316 127.600 56 Te 0.76807699052050 0.37882816688667 0.43868489672684 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.302446860464578 0.000000000000000 0.000000000000000 b 0.000000000000000 14.648919340000001 0.000000000000000 c -6.971162181062394 0.000000000000000 11.087420591357299 Atomic positions (fractional): 1 O 0.35190297998052 0.04165286021324 0.16412143016844 15.999 > 1 2 O 0.35190297998052 0.54165286021324 0.16412143016844 15.999 > 1 3 O 0.64809702001948 0.29165286021324 0.33587856983156 15.999 > 3 4 O 0.64809702001948 0.79165286021324 0.33587856983156 15.999 > 3 5 O 0.64809702001948 0.45834713978676 0.83587856983156 15.999 > 5 6 O 0.64809702001948 0.95834713978676 0.83587856983156 15.999 > 5 7 O 0.35190297998052 0.20834713978676 0.66412143016844 15.999 > 7 8 O 0.35190297998052 0.70834713978676 0.66412143016844 15.999 > 7 9 O 0.59014021957031 0.44050464086017 0.46175779421853 15.999 > 9 10 O 0.59014021957031 0.94050464086017 0.46175779421853 15.999 > 9 11 O 0.40985978042969 0.19050464086017 0.03824220578147 15.999 > 11 12 O 0.40985978042969 0.69050464086017 0.03824220578147 15.999 > 11 13 O 0.40985978042969 0.05949535913983 0.53824220578147 15.999 > 13 14 O 0.40985978042969 0.55949535913983 0.53824220578147 15.999 > 13 15 O 0.59014021957031 0.30949535913983 0.96175779421853 15.999 > 15 16 O 0.59014021957031 0.80949535913983 0.96175779421853 15.999 > 15 17 O 0.59190160070463 0.18383366450960 0.47158783323148 15.999 > 17 18 O 0.59190160070463 0.68383366450960 0.47158783323148 15.999 > 17 19 O 0.40809839929537 0.43383366450960 0.02841216676852 15.999 > 19 20 O 0.40809839929537 0.93383366450960 0.02841216676852 15.999 > 19 21 O 0.40809839929537 0.31616633549040 0.52841216676852 15.999 > 21 22 O 0.40809839929537 0.81616633549040 0.52841216676852 15.999 > 21 23 O 0.59190160070463 0.06616633549040 0.97158783323148 15.999 > 23 24 O 0.59190160070463 0.56616633549040 0.97158783323148 15.999 > 23 25 O 0.67441475433560 0.07693615720284 0.34607348256308 15.999 > 25 26 O 0.67441475433560 0.57693615720284 0.34607348256308 15.999 > 25 27 O 0.32558524566440 0.32693615720284 0.15392651743692 15.999 > 27 28 O 0.32558524566440 0.82693615720284 0.15392651743692 15.999 > 27 29 O 0.32558524566440 0.42306384279716 0.65392651743692 15.999 > 29 30 O 0.32558524566440 0.92306384279716 0.65392651743692 15.999 > 29 31 O 0.67441475433560 0.17306384279716 0.84607348256308 15.999 > 31 32 O 0.67441475433560 0.67306384279716 0.84607348256308 15.999 > 31 33 O 0.77352038957607 0.43473735399836 0.21736393250821 15.999 > 33 34 O 0.77352038957607 0.93473735399836 0.21736393250821 15.999 > 33 35 O 0.22647961042393 0.18473735399836 0.28263606749179 15.999 > 35 36 O 0.22647961042393 0.68473735399836 0.28263606749179 15.999 > 35 37 O 0.22647961042393 0.06526264600164 0.78263606749179 15.999 > 37 38 O 0.22647961042393 0.56526264600164 0.78263606749179 15.999 > 37 39 O 0.77352038957607 0.31526264600164 0.71736393250821 15.999 > 39 40 O 0.77352038957607 0.81526264600164 0.71736393250821 15.999 > 39 41 O 0.96464416039874 0.18849891799476 0.69009035135355 15.999 > 41 42 O 0.96464416039874 0.68849891799476 0.69009035135355 15.999 > 41 43 O 0.03535583960126 0.43849891799476 0.80990964864645 15.999 > 43 44 O 0.03535583960126 0.93849891799476 0.80990964864645 15.999 > 43 45 O 0.03535583960126 0.31150108200524 0.30990964864645 15.999 > 45 46 O 0.03535583960126 0.81150108200524 0.30990964864645 15.999 > 45 47 O 0.96464416039874 0.06150108200524 0.19009035135355 15.999 > 47 48 O 0.96464416039874 0.56150108200524 0.19009035135355 15.999 > 47 49 O 0.92296603790902 0.03346683503936 0.57974378142781 15.999 > 49 50 O 0.92296603790902 0.53346683503936 0.57974378142781 15.999 > 49 51 O 0.07703396209098 0.28346683503936 0.92025621857219 15.999 > 51 52 O 0.07703396209098 0.78346683503936 0.92025621857219 15.999 > 51 53 O 0.07703396209098 0.46653316496064 0.42025621857219 15.999 > 53 54 O 0.07703396209098 0.96653316496064 0.42025621857219 15.999 > 53 55 O 0.92296603790902 0.21653316496064 0.07974378142781 15.999 > 55 56 O 0.92296603790902 0.71653316496064 0.07974378142781 15.999 > 55 57 O 0.91213515898715 0.34498685528940 0.57904664928273 15.999 > 57 58 O 0.91213515898715 0.84498685528940 0.57904664928273 15.999 > 57 59 O 0.08786484101285 0.09498685528940 0.92095335071727 15.999 > 59 60 O 0.08786484101285 0.59498685528940 0.92095335071727 15.999 > 59 61 O 0.08786484101285 0.15501314471060 0.42095335071727 15.999 > 61 62 O 0.08786484101285 0.65501314471060 0.42095335071727 15.999 > 61 63 O 0.91213515898715 0.40501314471060 0.07904664928273 15.999 > 63 64 O 0.91213515898715 0.90501314471060 0.07904664928273 15.999 > 63 65 O 0.77888539974552 0.06052379744883 0.71752762225564 15.999 > 65 66 O 0.77888539974552 0.56052379744883 0.71752762225564 15.999 > 65 67 O 0.22111460025447 0.31052379744883 0.78247237774436 15.999 > 67 68 O 0.22111460025447 0.81052379744883 0.78247237774436 15.999 > 67 69 O 0.22111460025447 0.43947620255117 0.28247237774436 15.999 > 69 70 O 0.22111460025447 0.93947620255117 0.28247237774436 15.999 > 69 71 O 0.77888539974552 0.18947620255117 0.21752762225564 15.999 > 71 72 O 0.77888539974552 0.68947620255117 0.21752762225564 15.999 > 71 73 Cd 0.59771900467879 0.18826486396038 0.64639705869828 112.411 > 73 74 Cd 0.59771900467879 0.68826486396038 0.64639705869828 112.411 > 73 75 Cd 0.40228099532121 0.43826486396038 0.85360294130172 112.411 > 75 76 Cd 0.40228099532121 0.93826486396038 0.85360294130172 112.411 > 75 77 Cd 0.40228099532121 0.31173513603962 0.35360294130172 112.411 > 77 78 Cd 0.40228099532121 0.81173513603962 0.35360294130172 112.411 > 77 79 Cd 0.59771900467879 0.06173513603962 0.14639705869828 112.411 > 79 80 Cd 0.59771900467879 0.56173513603962 0.14639705869828 112.411 > 79 81 Cd 0.40558784451926 0.18740595404995 0.85566498312846 112.411 > 81 82 Cd 0.40558784451926 0.68740595404995 0.85566498312846 112.411 > 81 83 Cd 0.59441215548074 0.43740595404995 0.64433501687154 112.411 > 83 84 Cd 0.59441215548074 0.93740595404995 0.64433501687154 112.411 > 83 85 Cd 0.59441215548074 0.31259404595005 0.14433501687154 112.411 > 85 86 Cd 0.59441215548074 0.81259404595005 0.14433501687154 112.411 > 85 87 Cd 0.40558784451926 0.06259404595005 0.35566498312846 112.411 > 87 88 Cd 0.40558784451926 0.56259404595005 0.35566498312846 112.411 > 87 89 Te 0.99700088617760 0.43611952779944 0.24857001138329 127.600 > 89 90 Te 0.99700088617760 0.93611952779944 0.24857001138329 127.600 > 89 91 Te 0.00299911382240 0.18611952779944 0.25142998861671 127.600 > 91 92 Te 0.00299911382240 0.68611952779944 0.25142998861671 127.600 > 91 93 Te 0.00299911382240 0.06388047220056 0.75142998861671 127.600 > 93 94 Te 0.00299911382240 0.56388047220056 0.75142998861671 127.600 > 93 95 Te 0.99700088617760 0.31388047220056 0.74857001138329 127.600 > 95 96 Te 0.99700088617760 0.81388047220056 0.74857001138329 127.600 > 95 97 Te 0.78576374613973 0.30777841633416 0.95268137089397 127.600 > 97 98 Te 0.78576374613973 0.80777841633416 0.95268137089397 127.600 > 97 99 Te 0.21423625386027 0.05777841633416 0.54731862910603 127.600 > 99 100 Te 0.21423625386027 0.55777841633416 0.54731862910603 127.600 > 99 101 Te 0.21423625386027 0.19222158366584 0.04731862910603 127.600 > 101 102 Te 0.21423625386027 0.69222158366584 0.04731862910603 127.600 > 101 103 Te 0.78576374613973 0.44222158366584 0.45268137089397 127.600 > 103 104 Te 0.78576374613973 0.94222158366584 0.45268137089397 127.600 > 103 105 Te 0.76807699052050 0.06058591655667 0.93868489672684 127.600 > 105 106 Te 0.76807699052050 0.56058591655667 0.93868489672684 127.600 > 105 107 Te 0.23192300947950 0.31058591655667 0.56131510327316 127.600 > 107 108 Te 0.23192300947950 0.81058591655667 0.56131510327316 127.600 > 107 109 Te 0.23192300947950 0.43941408344333 0.06131510327316 127.600 > 109 110 Te 0.23192300947950 0.93941408344333 0.06131510327316 127.600 > 109 111 Te 0.76807699052050 0.18941408344333 0.43868489672684 127.600 > 111 112 Te 0.76807699052050 0.68941408344333 0.43868489672684 127.600 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8581750 0.0000000 0.0133043 0.0000000 5.8214092 0.0000000 0.0133029 0.0000000 5.1480171 -------------------------- Born effective charges -------------------------- 1 O -1.3143468 0.1630609 0.2825846 -0.3508811 -3.4103572 -0.5919906 -0.2493048 -0.1926023 -1.9879567 2 O -1.3143468 -0.1630609 0.2825846 0.3508811 -3.4103572 0.5919906 -0.2493048 0.1926023 -1.9879567 3 O -1.3143468 0.1630609 0.2825846 -0.3508811 -3.4103572 -0.5919906 -0.2493048 -0.1926023 -1.9879567 4 O -1.3143468 -0.1630609 0.2825846 0.3508811 -3.4103572 0.5919906 -0.2493048 0.1926023 -1.9879567 5 O -2.9333773 0.0442639 0.1178445 -0.1354563 -1.5457056 0.0089871 -0.5255187 0.0794891 -1.3274495 6 O -2.9333773 -0.0442639 0.1178445 0.1354563 -1.5457056 -0.0089871 -0.5255187 -0.0794891 -1.3274495 7 O -2.9333773 0.0442639 0.1178445 -0.1354563 -1.5457056 0.0089871 -0.5255187 0.0794891 -1.3274495 8 O -2.9333773 -0.0442639 0.1178445 0.1354563 -1.5457056 -0.0089871 -0.5255187 -0.0794891 -1.3274495 9 O -2.7563609 -0.1151794 0.0555383 -0.0143950 -1.4425031 -0.0535652 0.4676167 -0.0104577 -1.4491961 10 O -2.7563609 0.1151794 0.0555383 0.0143950 -1.4425031 0.0535652 0.4676167 0.0104577 -1.4491961 11 O -2.7563609 -0.1151794 0.0555383 -0.0143950 -1.4425031 -0.0535652 0.4676167 -0.0104577 -1.4491961 12 O -2.7563609 0.1151794 0.0555383 0.0143950 -1.4425031 0.0535652 0.4676167 0.0104577 -1.4491961 13 O -1.2052506 0.2053679 0.2824251 -0.1548794 -4.1047806 -0.3828740 -0.1652908 0.2501934 -1.9112315 14 O -1.2052506 -0.2053679 0.2824251 0.1548794 -4.1047806 0.3828740 -0.1652908 -0.2501934 -1.9112315 15 O -1.2052506 0.2053679 0.2824251 -0.1548794 -4.1047806 -0.3828740 -0.1652908 0.2501934 -1.9112315 16 O -1.2052506 -0.2053679 0.2824251 0.1548794 -4.1047806 0.3828740 -0.1652908 -0.2501934 -1.9112315 17 O -2.4476196 0.0270009 -0.1854506 0.0558845 -1.7590760 -0.1400057 0.1921131 -0.0039434 -1.6594711 18 O -2.4476196 -0.0270009 -0.1854506 -0.0558845 -1.7590760 0.1400057 0.1921131 0.0039434 -1.6594711 19 O -2.4476196 0.0270009 -0.1854506 0.0558845 -1.7590760 -0.1400057 0.1921131 -0.0039434 -1.6594711 20 O -2.4476196 -0.0270009 -0.1854506 -0.0558845 -1.7590760 0.1400057 0.1921131 0.0039434 -1.6594711 21 O -1.1774755 -0.0251049 -0.1763532 0.0519186 -4.0448538 -0.0048205 0.0818934 0.0870212 -1.8893073 22 O -1.1774755 0.0251049 -0.1763532 -0.0519186 -4.0448538 0.0048205 0.0818934 -0.0870212 -1.8893073 23 O -1.1774755 -0.0251049 -0.1763532 0.0519186 -4.0448538 -0.0048205 0.0818934 0.0870212 -1.8893073 24 O -1.1774755 0.0251049 -0.1763532 -0.0519186 -4.0448538 0.0048205 0.0818934 -0.0870212 -1.8893073 25 O -1.5341290 -0.2754877 -0.2300970 -0.0383130 -2.4245466 -1.3292317 0.2642874 -0.6911622 -3.3447588 26 O -1.5341290 0.2754877 -0.2300970 0.0383130 -2.4245466 1.3292317 0.2642874 0.6911622 -3.3447588 27 O -1.5341290 -0.2754877 -0.2300970 -0.0383130 -2.4245466 -1.3292317 0.2642874 -0.6911622 -3.3447588 28 O -1.5341290 0.2754877 -0.2300970 0.0383130 -2.4245466 1.3292317 0.2642874 0.6911622 -3.3447588 29 O -1.3540729 0.2290791 -0.2151411 -0.0253782 -2.6219003 1.4223036 0.1915885 0.7321662 -3.3662012 30 O -1.3540729 -0.2290791 -0.2151411 0.0253782 -2.6219003 -1.4223036 0.1915885 -0.7321662 -3.3662012 31 O -1.3540729 0.2290791 -0.2151411 -0.0253782 -2.6219003 1.4223036 0.1915885 0.7321662 -3.3662012 32 O -1.3540729 -0.2290791 -0.2151411 0.0253782 -2.6219003 -1.4223036 0.1915885 -0.7321662 -3.3662012 33 O -2.4949016 0.0129995 -0.0645407 -0.0177296 -1.6855133 -0.1439884 0.0466906 -0.0109019 -1.6584873 34 O -2.4949016 -0.0129995 -0.0645407 0.0177296 -1.6855133 0.1439884 0.0466906 0.0109019 -1.6584873 35 O -2.4949016 0.0129995 -0.0645407 -0.0177296 -1.6855133 -0.1439884 0.0466906 -0.0109019 -1.6584873 36 O -2.4949016 -0.0129995 -0.0645407 0.0177296 -1.6855133 0.1439884 0.0466906 0.0109019 -1.6584873 37 Cd 2.7734747 0.0146544 0.0726481 -0.0686917 2.3823115 -0.0223088 0.2052338 0.0589359 2.8043951 38 Cd 2.7734747 -0.0146544 0.0726481 0.0686917 2.3823115 0.0223088 0.2052338 -0.0589359 2.8043951 39 Cd 2.7734747 0.0146544 0.0726481 -0.0686917 2.3823115 -0.0223088 0.2052338 0.0589359 2.8043951 40 Cd 2.7734747 -0.0146544 0.0726481 0.0686917 2.3823115 0.0223088 0.2052338 -0.0589359 2.8043951 41 Cd 2.7184054 0.0570501 0.1319526 0.0091517 2.4159645 -0.1638966 0.3152635 0.0372378 2.6603526 42 Cd 2.7184054 -0.0570501 0.1319526 -0.0091517 2.4159645 0.1638966 0.3152635 -0.0372378 2.6603526 43 Cd 2.7184054 0.0570501 0.1319526 0.0091517 2.4159645 -0.1638966 0.3152635 0.0372378 2.6603526 44 Cd 2.7184054 -0.0570501 0.1319526 -0.0091517 2.4159645 0.1638966 0.3152635 -0.0372378 2.6603526 45 Te 4.6854272 -0.0961092 0.3487116 -0.2875193 6.1614378 0.2107645 -0.9616955 0.0023646 5.9051604 46 Te 4.6854272 0.0961092 0.3487116 0.2875193 6.1614378 -0.2107645 -0.9616955 -0.0023646 5.9051604 47 Te 4.6854272 -0.0961092 0.3487116 -0.2875193 6.1614378 0.2107645 -0.9616955 0.0023646 5.9051604 48 Te 4.6854272 0.0961092 0.3487116 0.2875193 6.1614378 -0.2107645 -0.9616955 -0.0023646 5.9051604 49 Te 3.7361954 -0.1433998 0.2774314 -0.2053832 6.5946619 0.5057614 0.5776820 0.4570871 4.0855094 50 Te 3.7361954 0.1433998 0.2774314 0.2053832 6.5946619 -0.5057614 0.5776820 -0.4570871 4.0855094 51 Te 3.7361954 -0.1433998 0.2774314 -0.2053832 6.5946619 0.5057614 0.5776820 0.4570871 4.0855094 52 Te 3.7361954 0.1433998 0.2774314 0.2053832 6.5946619 -0.5057614 0.5776820 -0.4570871 4.0855094 53 Te 3.3040318 0.0805886 -0.6975537 0.1657411 5.4848608 -0.1400604 -0.4405593 0.1110353 3.1386419 54 Te 3.3040318 -0.0805886 -0.6975537 -0.1657411 5.4848608 0.1400604 -0.4405593 -0.1110353 3.1386419 55 Te 3.3040318 0.0805886 -0.6975537 0.1657411 5.4848608 -0.1400604 -0.4405593 0.1110353 3.1386419 56 Te 3.3040318 -0.0805886 -0.6975537 -0.1657411 5.4848608 0.1400604 -0.4405593 -0.1110353 3.1386419 ---------------------------------------------------------------------------- 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 25, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 41, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 57, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 73, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 89, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:50:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:50:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.302446860464578 0.000000000000000 0.000000000000000 b 0.000000000000000 7.324459670000000 0.000000000000000 c -6.971162181062394 0.000000000000000 11.087420591357299 Atomic positions (fractional): 1 O 0.35190297998052 0.08330572042648 0.16412143016844 15.999 2 O 0.64809702001948 0.58330572042648 0.33587856983156 15.999 3 O 0.64809702001948 0.91669427957352 0.83587856983156 15.999 4 O 0.35190297998052 0.41669427957352 0.66412143016844 15.999 5 O 0.59014021957031 0.88100928172033 0.46175779421853 15.999 6 O 0.40985978042969 0.38100928172033 0.03824220578147 15.999 7 O 0.40985978042969 0.11899071827967 0.53824220578147 15.999 8 O 0.59014021957031 0.61899071827967 0.96175779421853 15.999 9 O 0.59190160070463 0.36766732901920 0.47158783323148 15.999 10 O 0.40809839929537 0.86766732901920 0.02841216676852 15.999 11 O 0.40809839929537 0.63233267098080 0.52841216676852 15.999 12 O 0.59190160070463 0.13233267098080 0.97158783323148 15.999 13 O 0.67441475433560 0.15387231440568 0.34607348256308 15.999 14 O 0.32558524566440 0.65387231440568 0.15392651743692 15.999 15 O 0.32558524566440 0.84612768559432 0.65392651743692 15.999 16 O 0.67441475433560 0.34612768559432 0.84607348256308 15.999 17 O 0.77352038957607 0.86947470799672 0.21736393250821 15.999 18 O 0.22647961042393 0.36947470799672 0.28263606749179 15.999 19 O 0.22647961042393 0.13052529200328 0.78263606749179 15.999 20 O 0.77352038957607 0.63052529200328 0.71736393250821 15.999 21 O 0.96464416039874 0.37699783598951 0.69009035135355 15.999 22 O 0.03535583960126 0.87699783598951 0.80990964864645 15.999 23 O 0.03535583960126 0.62300216401049 0.30990964864645 15.999 24 O 0.96464416039874 0.12300216401049 0.19009035135355 15.999 25 O 0.92296603790902 0.06693367007871 0.57974378142781 15.999 26 O 0.07703396209098 0.56693367007871 0.92025621857219 15.999 27 O 0.07703396209098 0.93306632992129 0.42025621857219 15.999 28 O 0.92296603790902 0.43306632992129 0.07974378142781 15.999 29 O 0.91213515898715 0.68997371057880 0.57904664928273 15.999 30 O 0.08786484101285 0.18997371057880 0.92095335071727 15.999 31 O 0.08786484101285 0.31002628942120 0.42095335071727 15.999 32 O 0.91213515898715 0.81002628942120 0.07904664928273 15.999 33 O 0.77888539974552 0.12104759489767 0.71752762225564 15.999 34 O 0.22111460025447 0.62104759489767 0.78247237774436 15.999 35 O 0.22111460025447 0.87895240510233 0.28247237774436 15.999 36 O 0.77888539974552 0.37895240510233 0.21752762225564 15.999 37 Cd 0.59771900467879 0.37652972792075 0.64639705869828 112.411 38 Cd 0.40228099532121 0.87652972792075 0.85360294130172 112.411 39 Cd 0.40228099532121 0.62347027207925 0.35360294130172 112.411 40 Cd 0.59771900467879 0.12347027207925 0.14639705869828 112.411 41 Cd 0.40558784451926 0.37481190809990 0.85566498312846 112.411 42 Cd 0.59441215548074 0.87481190809990 0.64433501687154 112.411 43 Cd 0.59441215548074 0.62518809190010 0.14433501687154 112.411 44 Cd 0.40558784451926 0.12518809190010 0.35566498312846 112.411 45 Te 0.99700088617760 0.87223905559888 0.24857001138329 127.600 46 Te 0.00299911382240 0.37223905559888 0.25142998861671 127.600 47 Te 0.00299911382240 0.12776094440112 0.75142998861671 127.600 48 Te 0.99700088617760 0.62776094440112 0.74857001138329 127.600 49 Te 0.78576374613973 0.61555683266833 0.95268137089397 127.600 50 Te 0.21423625386027 0.11555683266833 0.54731862910603 127.600 51 Te 0.21423625386027 0.38444316733167 0.04731862910603 127.600 52 Te 0.78576374613973 0.88444316733167 0.45268137089397 127.600 53 Te 0.76807699052050 0.12117183311333 0.93868489672684 127.600 54 Te 0.23192300947950 0.62117183311333 0.56131510327316 127.600 55 Te 0.23192300947950 0.87882816688667 0.06131510327316 127.600 56 Te 0.76807699052050 0.37882816688667 0.43868489672684 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.302446860464578 0.000000000000000 0.000000000000000 b 0.000000000000000 14.648919340000001 0.000000000000000 c -6.971162181062394 0.000000000000000 11.087420591357299 Atomic positions (fractional): 1 O 0.35190297998052 0.04165286021324 0.16412143016844 15.999 > 1 2 O 0.35190297998052 0.54165286021324 0.16412143016844 15.999 > 1 3 O 0.64809702001948 0.29165286021324 0.33587856983156 15.999 > 3 4 O 0.64809702001948 0.79165286021324 0.33587856983156 15.999 > 3 5 O 0.64809702001948 0.45834713978676 0.83587856983156 15.999 > 5 6 O 0.64809702001948 0.95834713978676 0.83587856983156 15.999 > 5 7 O 0.35190297998052 0.20834713978676 0.66412143016844 15.999 > 7 8 O 0.35190297998052 0.70834713978676 0.66412143016844 15.999 > 7 9 O 0.59014021957031 0.44050464086017 0.46175779421853 15.999 > 9 10 O 0.59014021957031 0.94050464086017 0.46175779421853 15.999 > 9 11 O 0.40985978042969 0.19050464086017 0.03824220578147 15.999 > 11 12 O 0.40985978042969 0.69050464086017 0.03824220578147 15.999 > 11 13 O 0.40985978042969 0.05949535913983 0.53824220578147 15.999 > 13 14 O 0.40985978042969 0.55949535913983 0.53824220578147 15.999 > 13 15 O 0.59014021957031 0.30949535913983 0.96175779421853 15.999 > 15 16 O 0.59014021957031 0.80949535913983 0.96175779421853 15.999 > 15 17 O 0.59190160070463 0.18383366450960 0.47158783323148 15.999 > 17 18 O 0.59190160070463 0.68383366450960 0.47158783323148 15.999 > 17 19 O 0.40809839929537 0.43383366450960 0.02841216676852 15.999 > 19 20 O 0.40809839929537 0.93383366450960 0.02841216676852 15.999 > 19 21 O 0.40809839929537 0.31616633549040 0.52841216676852 15.999 > 21 22 O 0.40809839929537 0.81616633549040 0.52841216676852 15.999 > 21 23 O 0.59190160070463 0.06616633549040 0.97158783323148 15.999 > 23 24 O 0.59190160070463 0.56616633549040 0.97158783323148 15.999 > 23 25 O 0.67441475433560 0.07693615720284 0.34607348256308 15.999 > 25 26 O 0.67441475433560 0.57693615720284 0.34607348256308 15.999 > 25 27 O 0.32558524566440 0.32693615720284 0.15392651743692 15.999 > 27 28 O 0.32558524566440 0.82693615720284 0.15392651743692 15.999 > 27 29 O 0.32558524566440 0.42306384279716 0.65392651743692 15.999 > 29 30 O 0.32558524566440 0.92306384279716 0.65392651743692 15.999 > 29 31 O 0.67441475433560 0.17306384279716 0.84607348256308 15.999 > 31 32 O 0.67441475433560 0.67306384279716 0.84607348256308 15.999 > 31 33 O 0.77352038957607 0.43473735399836 0.21736393250821 15.999 > 33 34 O 0.77352038957607 0.93473735399836 0.21736393250821 15.999 > 33 35 O 0.22647961042393 0.18473735399836 0.28263606749179 15.999 > 35 36 O 0.22647961042393 0.68473735399836 0.28263606749179 15.999 > 35 37 O 0.22647961042393 0.06526264600164 0.78263606749179 15.999 > 37 38 O 0.22647961042393 0.56526264600164 0.78263606749179 15.999 > 37 39 O 0.77352038957607 0.31526264600164 0.71736393250821 15.999 > 39 40 O 0.77352038957607 0.81526264600164 0.71736393250821 15.999 > 39 41 O 0.96464416039874 0.18849891799476 0.69009035135355 15.999 > 41 42 O 0.96464416039874 0.68849891799476 0.69009035135355 15.999 > 41 43 O 0.03535583960126 0.43849891799476 0.80990964864645 15.999 > 43 44 O 0.03535583960126 0.93849891799476 0.80990964864645 15.999 > 43 45 O 0.03535583960126 0.31150108200524 0.30990964864645 15.999 > 45 46 O 0.03535583960126 0.81150108200524 0.30990964864645 15.999 > 45 47 O 0.96464416039874 0.06150108200524 0.19009035135355 15.999 > 47 48 O 0.96464416039874 0.56150108200524 0.19009035135355 15.999 > 47 49 O 0.92296603790902 0.03346683503936 0.57974378142781 15.999 > 49 50 O 0.92296603790902 0.53346683503936 0.57974378142781 15.999 > 49 51 O 0.07703396209098 0.28346683503936 0.92025621857219 15.999 > 51 52 O 0.07703396209098 0.78346683503936 0.92025621857219 15.999 > 51 53 O 0.07703396209098 0.46653316496064 0.42025621857219 15.999 > 53 54 O 0.07703396209098 0.96653316496064 0.42025621857219 15.999 > 53 55 O 0.92296603790902 0.21653316496064 0.07974378142781 15.999 > 55 56 O 0.92296603790902 0.71653316496064 0.07974378142781 15.999 > 55 57 O 0.91213515898715 0.34498685528940 0.57904664928273 15.999 > 57 58 O 0.91213515898715 0.84498685528940 0.57904664928273 15.999 > 57 59 O 0.08786484101285 0.09498685528940 0.92095335071727 15.999 > 59 60 O 0.08786484101285 0.59498685528940 0.92095335071727 15.999 > 59 61 O 0.08786484101285 0.15501314471060 0.42095335071727 15.999 > 61 62 O 0.08786484101285 0.65501314471060 0.42095335071727 15.999 > 61 63 O 0.91213515898715 0.40501314471060 0.07904664928273 15.999 > 63 64 O 0.91213515898715 0.90501314471060 0.07904664928273 15.999 > 63 65 O 0.77888539974552 0.06052379744883 0.71752762225564 15.999 > 65 66 O 0.77888539974552 0.56052379744883 0.71752762225564 15.999 > 65 67 O 0.22111460025447 0.31052379744883 0.78247237774436 15.999 > 67 68 O 0.22111460025447 0.81052379744883 0.78247237774436 15.999 > 67 69 O 0.22111460025447 0.43947620255117 0.28247237774436 15.999 > 69 70 O 0.22111460025447 0.93947620255117 0.28247237774436 15.999 > 69 71 O 0.77888539974552 0.18947620255117 0.21752762225564 15.999 > 71 72 O 0.77888539974552 0.68947620255117 0.21752762225564 15.999 > 71 73 Cd 0.59771900467879 0.18826486396038 0.64639705869828 112.411 > 73 74 Cd 0.59771900467879 0.68826486396038 0.64639705869828 112.411 > 73 75 Cd 0.40228099532121 0.43826486396038 0.85360294130172 112.411 > 75 76 Cd 0.40228099532121 0.93826486396038 0.85360294130172 112.411 > 75 77 Cd 0.40228099532121 0.31173513603962 0.35360294130172 112.411 > 77 78 Cd 0.40228099532121 0.81173513603962 0.35360294130172 112.411 > 77 79 Cd 0.59771900467879 0.06173513603962 0.14639705869828 112.411 > 79 80 Cd 0.59771900467879 0.56173513603962 0.14639705869828 112.411 > 79 81 Cd 0.40558784451926 0.18740595404995 0.85566498312846 112.411 > 81 82 Cd 0.40558784451926 0.68740595404995 0.85566498312846 112.411 > 81 83 Cd 0.59441215548074 0.43740595404995 0.64433501687154 112.411 > 83 84 Cd 0.59441215548074 0.93740595404995 0.64433501687154 112.411 > 83 85 Cd 0.59441215548074 0.31259404595005 0.14433501687154 112.411 > 85 86 Cd 0.59441215548074 0.81259404595005 0.14433501687154 112.411 > 85 87 Cd 0.40558784451926 0.06259404595005 0.35566498312846 112.411 > 87 88 Cd 0.40558784451926 0.56259404595005 0.35566498312846 112.411 > 87 89 Te 0.99700088617760 0.43611952779944 0.24857001138329 127.600 > 89 90 Te 0.99700088617760 0.93611952779944 0.24857001138329 127.600 > 89 91 Te 0.00299911382240 0.18611952779944 0.25142998861671 127.600 > 91 92 Te 0.00299911382240 0.68611952779944 0.25142998861671 127.600 > 91 93 Te 0.00299911382240 0.06388047220056 0.75142998861671 127.600 > 93 94 Te 0.00299911382240 0.56388047220056 0.75142998861671 127.600 > 93 95 Te 0.99700088617760 0.31388047220056 0.74857001138329 127.600 > 95 96 Te 0.99700088617760 0.81388047220056 0.74857001138329 127.600 > 95 97 Te 0.78576374613973 0.30777841633416 0.95268137089397 127.600 > 97 98 Te 0.78576374613973 0.80777841633416 0.95268137089397 127.600 > 97 99 Te 0.21423625386027 0.05777841633416 0.54731862910603 127.600 > 99 100 Te 0.21423625386027 0.55777841633416 0.54731862910603 127.600 > 99 101 Te 0.21423625386027 0.19222158366584 0.04731862910603 127.600 > 101 102 Te 0.21423625386027 0.69222158366584 0.04731862910603 127.600 > 101 103 Te 0.78576374613973 0.44222158366584 0.45268137089397 127.600 > 103 104 Te 0.78576374613973 0.94222158366584 0.45268137089397 127.600 > 103 105 Te 0.76807699052050 0.06058591655667 0.93868489672684 127.600 > 105 106 Te 0.76807699052050 0.56058591655667 0.93868489672684 127.600 > 105 107 Te 0.23192300947950 0.31058591655667 0.56131510327316 127.600 > 107 108 Te 0.23192300947950 0.81058591655667 0.56131510327316 127.600 > 107 109 Te 0.23192300947950 0.43941408344333 0.06131510327316 127.600 > 109 110 Te 0.23192300947950 0.93941408344333 0.06131510327316 127.600 > 109 111 Te 0.76807699052050 0.18941408344333 0.43868489672684 127.600 > 111 112 Te 0.76807699052050 0.68941408344333 0.43868489672684 127.600 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8581750 0.0000000 0.0133043 0.0000000 5.8214092 0.0000000 0.0133029 0.0000000 5.1480171 -------------------------- Born effective charges -------------------------- 1 O -1.3143468 0.1630609 0.2825846 -0.3508811 -3.4103572 -0.5919906 -0.2493048 -0.1926023 -1.9879567 2 O -1.3143468 -0.1630609 0.2825846 0.3508811 -3.4103572 0.5919906 -0.2493048 0.1926023 -1.9879567 3 O -1.3143468 0.1630609 0.2825846 -0.3508811 -3.4103572 -0.5919906 -0.2493048 -0.1926023 -1.9879567 4 O -1.3143468 -0.1630609 0.2825846 0.3508811 -3.4103572 0.5919906 -0.2493048 0.1926023 -1.9879567 5 O -2.9333773 0.0442639 0.1178445 -0.1354563 -1.5457056 0.0089871 -0.5255187 0.0794891 -1.3274495 6 O -2.9333773 -0.0442639 0.1178445 0.1354563 -1.5457056 -0.0089871 -0.5255187 -0.0794891 -1.3274495 7 O -2.9333773 0.0442639 0.1178445 -0.1354563 -1.5457056 0.0089871 -0.5255187 0.0794891 -1.3274495 8 O -2.9333773 -0.0442639 0.1178445 0.1354563 -1.5457056 -0.0089871 -0.5255187 -0.0794891 -1.3274495 9 O -2.7563609 -0.1151794 0.0555383 -0.0143950 -1.4425031 -0.0535652 0.4676167 -0.0104577 -1.4491961 10 O -2.7563609 0.1151794 0.0555383 0.0143950 -1.4425031 0.0535652 0.4676167 0.0104577 -1.4491961 11 O -2.7563609 -0.1151794 0.0555383 -0.0143950 -1.4425031 -0.0535652 0.4676167 -0.0104577 -1.4491961 12 O -2.7563609 0.1151794 0.0555383 0.0143950 -1.4425031 0.0535652 0.4676167 0.0104577 -1.4491961 13 O -1.2052506 0.2053679 0.2824251 -0.1548794 -4.1047806 -0.3828740 -0.1652908 0.2501934 -1.9112315 14 O -1.2052506 -0.2053679 0.2824251 0.1548794 -4.1047806 0.3828740 -0.1652908 -0.2501934 -1.9112315 15 O -1.2052506 0.2053679 0.2824251 -0.1548794 -4.1047806 -0.3828740 -0.1652908 0.2501934 -1.9112315 16 O -1.2052506 -0.2053679 0.2824251 0.1548794 -4.1047806 0.3828740 -0.1652908 -0.2501934 -1.9112315 17 O -2.4476196 0.0270009 -0.1854506 0.0558845 -1.7590760 -0.1400057 0.1921131 -0.0039434 -1.6594711 18 O -2.4476196 -0.0270009 -0.1854506 -0.0558845 -1.7590760 0.1400057 0.1921131 0.0039434 -1.6594711 19 O -2.4476196 0.0270009 -0.1854506 0.0558845 -1.7590760 -0.1400057 0.1921131 -0.0039434 -1.6594711 20 O -2.4476196 -0.0270009 -0.1854506 -0.0558845 -1.7590760 0.1400057 0.1921131 0.0039434 -1.6594711 21 O -1.1774755 -0.0251049 -0.1763532 0.0519186 -4.0448538 -0.0048205 0.0818934 0.0870212 -1.8893073 22 O -1.1774755 0.0251049 -0.1763532 -0.0519186 -4.0448538 0.0048205 0.0818934 -0.0870212 -1.8893073 23 O -1.1774755 -0.0251049 -0.1763532 0.0519186 -4.0448538 -0.0048205 0.0818934 0.0870212 -1.8893073 24 O -1.1774755 0.0251049 -0.1763532 -0.0519186 -4.0448538 0.0048205 0.0818934 -0.0870212 -1.8893073 25 O -1.5341290 -0.2754877 -0.2300970 -0.0383130 -2.4245466 -1.3292317 0.2642874 -0.6911622 -3.3447588 26 O -1.5341290 0.2754877 -0.2300970 0.0383130 -2.4245466 1.3292317 0.2642874 0.6911622 -3.3447588 27 O -1.5341290 -0.2754877 -0.2300970 -0.0383130 -2.4245466 -1.3292317 0.2642874 -0.6911622 -3.3447588 28 O -1.5341290 0.2754877 -0.2300970 0.0383130 -2.4245466 1.3292317 0.2642874 0.6911622 -3.3447588 29 O -1.3540729 0.2290791 -0.2151411 -0.0253782 -2.6219003 1.4223036 0.1915885 0.7321662 -3.3662012 30 O -1.3540729 -0.2290791 -0.2151411 0.0253782 -2.6219003 -1.4223036 0.1915885 -0.7321662 -3.3662012 31 O -1.3540729 0.2290791 -0.2151411 -0.0253782 -2.6219003 1.4223036 0.1915885 0.7321662 -3.3662012 32 O -1.3540729 -0.2290791 -0.2151411 0.0253782 -2.6219003 -1.4223036 0.1915885 -0.7321662 -3.3662012 33 O -2.4949016 0.0129995 -0.0645407 -0.0177296 -1.6855133 -0.1439884 0.0466906 -0.0109019 -1.6584873 34 O -2.4949016 -0.0129995 -0.0645407 0.0177296 -1.6855133 0.1439884 0.0466906 0.0109019 -1.6584873 35 O -2.4949016 0.0129995 -0.0645407 -0.0177296 -1.6855133 -0.1439884 0.0466906 -0.0109019 -1.6584873 36 O -2.4949016 -0.0129995 -0.0645407 0.0177296 -1.6855133 0.1439884 0.0466906 0.0109019 -1.6584873 37 Cd 2.7734747 0.0146544 0.0726481 -0.0686917 2.3823115 -0.0223088 0.2052338 0.0589359 2.8043951 38 Cd 2.7734747 -0.0146544 0.0726481 0.0686917 2.3823115 0.0223088 0.2052338 -0.0589359 2.8043951 39 Cd 2.7734747 0.0146544 0.0726481 -0.0686917 2.3823115 -0.0223088 0.2052338 0.0589359 2.8043951 40 Cd 2.7734747 -0.0146544 0.0726481 0.0686917 2.3823115 0.0223088 0.2052338 -0.0589359 2.8043951 41 Cd 2.7184054 0.0570501 0.1319526 0.0091517 2.4159645 -0.1638966 0.3152635 0.0372378 2.6603526 42 Cd 2.7184054 -0.0570501 0.1319526 -0.0091517 2.4159645 0.1638966 0.3152635 -0.0372378 2.6603526 43 Cd 2.7184054 0.0570501 0.1319526 0.0091517 2.4159645 -0.1638966 0.3152635 0.0372378 2.6603526 44 Cd 2.7184054 -0.0570501 0.1319526 -0.0091517 2.4159645 0.1638966 0.3152635 -0.0372378 2.6603526 45 Te 4.6854272 -0.0961092 0.3487116 -0.2875193 6.1614378 0.2107645 -0.9616955 0.0023646 5.9051604 46 Te 4.6854272 0.0961092 0.3487116 0.2875193 6.1614378 -0.2107645 -0.9616955 -0.0023646 5.9051604 47 Te 4.6854272 -0.0961092 0.3487116 -0.2875193 6.1614378 0.2107645 -0.9616955 0.0023646 5.9051604 48 Te 4.6854272 0.0961092 0.3487116 0.2875193 6.1614378 -0.2107645 -0.9616955 -0.0023646 5.9051604 49 Te 3.7361954 -0.1433998 0.2774314 -0.2053832 6.5946619 0.5057614 0.5776820 0.4570871 4.0855094 50 Te 3.7361954 0.1433998 0.2774314 0.2053832 6.5946619 -0.5057614 0.5776820 -0.4570871 4.0855094 51 Te 3.7361954 -0.1433998 0.2774314 -0.2053832 6.5946619 0.5057614 0.5776820 0.4570871 4.0855094 52 Te 3.7361954 0.1433998 0.2774314 0.2053832 6.5946619 -0.5057614 0.5776820 -0.4570871 4.0855094 53 Te 3.3040318 0.0805886 -0.6975537 0.1657411 5.4848608 -0.1400604 -0.4405593 0.1110353 3.1386419 54 Te 3.3040318 -0.0805886 -0.6975537 -0.1657411 5.4848608 0.1400604 -0.4405593 -0.1110353 3.1386419 55 Te 3.3040318 0.0805886 -0.6975537 0.1657411 5.4848608 -0.1400604 -0.4405593 0.1110353 3.1386419 56 Te 3.3040318 -0.0805886 -0.6975537 -0.1657411 5.4848608 0.1400604 -0.4405593 -0.1110353 3.1386419 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 297, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.043 ( 0.000 0.000 0.000) 0.000 1.271 ( 0.000 0.000 0.000) 0.000 1.546 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 1.994 ( 0.000 0.000 0.000) 0.000 2.285 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.394 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.819 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.085 ( 0.000 0.000 0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.196 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 5.656 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 6.155 ( 0.000 0.000 0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.432 ( 0.000 0.000 0.000) 0.000 6.451 ( 0.000 0.000 0.000) 0.000 6.660 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 6.843 ( 0.000 0.000 0.000) 0.000 6.867 ( 0.000 0.000 0.000) 0.000 6.914 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.274 ( 0.000 0.000 0.000) 0.000 7.494 ( 0.000 0.000 0.000) 0.000 7.618 ( 0.000 0.000 0.000) 0.000 7.654 ( 0.000 0.000 0.000) 0.000 7.755 ( 0.000 0.000 0.000) 0.000 8.104 ( 0.000 0.000 0.000) 0.000 8.270 ( 0.000 0.000 0.000) 0.000 8.358 ( 0.000 0.000 0.000) 0.000 8.359 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 8.681 ( 0.000 0.000 0.000) 0.000 8.787 ( 0.000 0.000 0.000) 0.000 8.806 ( 0.000 0.000 0.000) 0.000 8.834 ( 0.000 0.000 0.000) 0.000 8.966 ( 0.000 0.000 0.000) 0.000 8.974 ( 0.000 0.000 0.000) 0.000 9.245 ( 0.000 0.000 0.000) 0.000 9.434 ( 0.000 0.000 0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 9.688 ( 0.000 0.000 0.000) 0.000 9.816 ( 0.000 0.000 0.000) 0.000 9.899 ( 0.000 0.000 0.000) 0.000 10.103 ( 0.000 0.000 0.000) 0.000 10.195 ( 0.000 0.000 0.000) 0.000 10.202 ( 0.000 0.000 0.000) 0.000 10.274 ( 0.000 0.000 0.000) 0.000 10.318 ( 0.000 0.000 0.000) 0.000 10.468 ( 0.000 0.000 0.000) 0.000 10.489 ( 0.000 0.000 0.000) 0.000 10.513 ( 0.000 0.000 0.000) 0.000 10.566 ( 0.000 0.000 0.000) 0.000 10.816 ( 0.000 0.000 0.000) 0.000 10.834 ( 0.000 0.000 0.000) 0.000 10.966 ( 0.000 0.000 0.000) 0.000 11.211 ( 0.000 0.000 0.000) 0.000 11.375 ( 0.000 0.000 0.000) 0.000 11.628 ( 0.000 0.000 0.000) 0.000 11.631 ( 0.000 0.000 0.000) 0.000 11.659 ( 0.000 0.000 0.000) 0.000 11.856 ( 0.000 0.000 0.000) 0.000 11.861 ( 0.000 0.000 0.000) 0.000 11.990 ( 0.000 0.000 0.000) 0.000 12.014 ( 0.000 0.000 0.000) 0.000 12.026 ( 0.000 0.000 0.000) 0.000 12.096 ( 0.000 0.000 0.000) 0.000 12.499 ( 0.000 0.000 0.000) 0.000 12.571 ( 0.000 0.000 0.000) 0.000 12.631 ( 0.000 0.000 0.000) 0.000 12.862 ( 0.000 0.000 0.000) 0.000 13.147 ( 0.000 0.000 0.000) 0.000 13.155 ( 0.000 0.000 0.000) 0.000 13.651 ( 0.000 0.000 0.000) 0.000 13.821 ( 0.000 0.000 0.000) 0.000 16.067 ( 0.000 0.000 0.000) 0.000 16.071 ( 0.000 0.000 0.000) 0.000 16.534 ( 0.000 0.000 0.000) 0.000 16.598 ( 0.000 0.000 0.000) 0.000 17.279 ( 0.000 0.000 0.000) 0.000 17.631 ( 0.000 0.000 0.000) 0.000 17.855 ( 0.000 0.000 0.000) 0.000 17.862 ( 0.000 0.000 0.000) 0.000 17.902 ( 0.000 0.000 0.000) 0.000 17.912 ( 0.000 0.000 0.000) 0.000 18.045 ( 0.000 0.000 0.000) 0.000 18.397 ( 0.000 0.000 0.000) 0.000 18.630 ( 0.000 0.000 0.000) 0.000 18.788 ( 0.000 0.000 0.000) 0.000 18.899 ( 0.000 0.000 0.000) 0.000 19.257 ( 0.000 0.000 0.000) 0.000 19.302 ( 0.000 0.000 0.000) 0.000 19.559 ( 0.000 0.000 0.000) 0.000 19.971 ( 0.000 0.000 0.000) 0.000 20.286 ( 0.000 0.000 0.000) 0.000 20.322 ( 0.000 0.000 0.000) 0.000 20.374 ( 0.000 0.000 0.000) 0.000 20.537 ( 0.000 0.000 0.000) 0.000 20.791 ( 0.000 0.000 0.000) 0.000 20.925 ( 0.000 0.000 0.000) 0.000 20.945 ( 0.000 0.000 0.000) 0.000 20.977 ( 0.000 0.000 0.000) 0.000 21.152 ( 0.000 0.000 0.000) 0.000 21.194 ( 0.000 0.000 0.000) 0.000 21.197 ( 0.000 0.000 0.000) 0.000 21.502 ( 0.000 0.000 0.000) 0.000 21.717 ( 0.000 0.000 0.000) 0.000 21.992 ( 0.000 0.000 0.000) 0.000 22.571 ( 0.000 0.000 0.000) 0.000 23.215 ( 0.000 0.000 0.000) 0.000 23.229 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 22.042 0.000 4.904) 22.581 0.575 ( 22.389 0.000 14.739) 26.805 0.930 ( 27.769 0.000 31.275) 41.824 1.181 ( 9.046 0.000 7.605) 11.818 1.314 ( 0.353 0.000 7.738) 7.746 1.534 ( -3.166 0.000 1.844) 3.663 1.710 ( -0.687 0.000 -14.775) 14.791 1.832 ( -3.485 0.000 -2.777) 4.456 2.055 ( -4.167 0.000 1.386) 4.392 2.155 ( 1.914 0.000 7.578) 7.816 2.190 ( -6.422 0.000 -4.155) 7.649 2.223 ( -8.284 0.000 -7.551) 11.208 2.274 ( -0.851 0.000 1.543) 1.762 2.344 ( -3.594 0.000 -0.761) 3.674 2.405 ( 1.149 0.000 -2.867) 3.089 2.486 ( -3.811 0.000 1.716) 4.180 2.519 ( 0.873 0.000 1.805) 2.005 2.574 ( -1.681 0.000 2.688) 3.171 2.651 ( 0.623 0.000 2.192) 2.279 2.697 ( -10.924 0.000 -6.564) 12.744 2.780 ( -4.143 0.000 -0.483) 4.171 2.793 ( 2.347 0.000 2.012) 3.091 2.839 ( -3.701 0.000 2.548) 4.493 2.924 ( -10.712 0.000 -3.276) 11.202 2.936 ( -6.097 0.000 4.001) 7.292 3.098 ( -1.197 0.000 1.056) 1.596 3.106 ( 1.535 0.000 1.576) 2.200 3.170 ( 4.107 0.000 -1.728) 4.456 3.217 ( -2.747 0.000 -0.040) 2.747 3.290 ( 1.080 0.000 -3.497) 3.660 3.306 ( 1.620 0.000 -2.531) 3.005 3.349 ( 0.103 0.000 0.030) 0.107 3.353 ( 4.886 0.000 1.647) 5.156 3.493 ( -4.058 0.000 -5.567) 6.889 3.501 ( -5.157 0.000 -6.167) 8.039 3.513 ( 2.136 0.000 -0.534) 2.202 3.650 ( 3.867 0.000 0.817) 3.952 3.769 ( 6.338 0.000 -3.496) 7.239 3.774 ( 3.229 0.000 1.296) 3.479 3.875 ( -2.018 0.000 -0.957) 2.234 3.879 ( 1.468 0.000 -1.174) 1.879 3.963 ( -4.793 0.000 0.618) 4.833 3.988 ( -5.666 0.000 4.899) 7.490 4.014 ( 1.542 0.000 0.030) 1.542 4.069 ( -1.498 0.000 1.550) 2.156 4.249 ( -0.152 0.000 0.046) 0.159 4.361 ( 5.568 0.000 -5.490) 7.819 4.490 ( 4.600 0.000 -3.803) 5.969 4.509 ( -0.787 0.000 -0.524) 0.946 4.531 ( 2.725 0.000 2.683) 3.824 4.599 ( -2.248 0.000 0.723) 2.361 4.713 ( 0.074 0.000 2.412) 2.413 4.721 ( -0.222 0.000 -10.158) 10.160 4.837 ( -3.844 0.000 0.291) 3.855 4.900 ( 0.327 0.000 -5.185) 5.195 5.097 ( -0.183 0.000 -0.741) 0.764 5.168 ( 0.412 0.000 -7.327) 7.338 5.180 ( 5.082 0.000 -15.097) 15.929 5.266 ( 4.058 0.000 4.147) 5.802 5.369 ( 2.380 0.000 -5.843) 6.309 5.481 ( -1.618 0.000 3.496) 3.853 5.619 ( 0.850 0.000 3.354) 3.460 5.650 ( 1.433 0.000 -1.242) 1.896 5.830 ( -0.426 0.000 5.183) 5.200 5.839 ( 4.007 0.000 3.613) 5.396 6.047 ( 3.481 0.000 6.242) 7.147 6.205 ( 5.783 0.000 -1.873) 6.079 6.279 ( 2.105 0.000 2.676) 3.405 6.447 ( -1.767 0.000 1.285) 2.185 6.456 ( 1.434 0.000 1.281) 1.923 6.650 ( 1.121 0.000 -2.585) 2.818 6.711 ( -2.557 0.000 5.175) 5.772 6.815 ( -0.935 0.000 -3.755) 3.870 6.868 ( -6.873 0.000 3.993) 7.949 6.950 ( -1.753 0.000 -1.926) 2.605 6.972 ( 0.074 0.000 1.146) 1.149 7.197 ( 0.534 0.000 -1.809) 1.886 7.447 ( -3.698 0.000 -0.077) 3.699 7.496 ( -11.598 0.000 29.309) 31.520 7.616 ( -0.296 0.000 1.044) 1.086 7.663 ( -0.496 0.000 2.269) 2.323 7.790 ( -0.217 0.000 3.906) 3.912 8.130 ( 2.090 0.000 1.519) 2.584 8.162 ( -5.241 0.000 -6.058) 8.010 8.333 ( -2.091 0.000 -3.969) 4.486 8.341 ( 0.491 0.000 -3.004) 3.044 8.630 ( 0.884 0.000 4.764) 4.845 8.676 ( 0.136 0.000 -0.029) 0.140 8.697 ( 2.726 0.000 -1.174) 2.968 8.717 ( -6.060 0.000 -6.299) 8.741 8.866 ( 2.214 0.000 6.424) 6.795 8.928 ( -11.034 0.000 17.213) 20.446 8.952 ( -2.925 0.000 2.355) 3.755 8.995 ( 0.898 0.000 -0.587) 1.073 9.256 ( 0.427 0.000 0.741) 0.855 9.400 ( -3.071 0.000 0.118) 3.073 9.566 ( -4.352 0.000 0.729) 4.412 9.603 ( -2.437 0.000 -4.934) 5.503 9.807 ( 0.540 0.000 -3.182) 3.228 9.811 ( 5.418 0.000 -0.539) 5.445 10.019 ( 1.890 0.000 -3.636) 4.098 10.021 ( -0.798 0.000 -1.017) 1.293 10.166 ( -1.741 0.000 -2.688) 3.202 10.290 ( 1.680 0.000 1.958) 2.580 10.312 ( 3.385 0.000 2.627) 4.285 10.422 ( -5.924 0.000 -2.216) 6.325 10.424 ( 5.198 0.000 6.665) 8.452 10.508 ( 0.737 0.000 2.358) 2.470 10.625 ( 3.796 0.000 4.455) 5.853 10.643 ( -0.273 0.000 4.999) 5.006 10.799 ( 0.008 0.000 -1.819) 1.819 10.819 ( -2.351 0.000 1.690) 2.895 11.059 ( 0.030 0.000 5.480) 5.480 11.207 ( 0.300 0.000 -2.155) 2.176 11.461 ( 0.781 0.000 -9.277) 9.310 11.612 ( -0.853 0.000 -3.845) 3.938 11.629 ( -0.249 0.000 -0.300) 0.390 11.641 ( -0.231 0.000 1.592) 1.609 11.892 ( 3.708 0.000 -0.789) 3.791 11.944 ( -3.923 0.000 1.646) 4.255 11.991 ( -0.834 0.000 1.408) 1.636 12.091 ( -3.527 0.000 4.121) 5.424 12.109 ( 6.762 0.000 -3.652) 7.686 12.454 ( -8.007 0.000 10.147) 12.926 12.502 ( 0.533 0.000 -0.245) 0.587 12.604 ( -7.278 0.000 13.376) 15.227 12.638 ( 0.282 0.000 0.516) 0.588 12.847 ( -1.181 0.000 -0.703) 1.375 13.130 ( -1.227 0.000 -0.712) 1.419 13.174 ( 0.783 0.000 1.830) 1.991 13.680 ( -2.646 0.000 6.798) 7.295 13.821 ( -0.783 0.000 1.047) 1.308 16.038 ( -0.917 0.000 -2.920) 3.060 16.059 ( -0.075 0.000 -1.886) 1.887 16.612 ( -0.170 0.000 2.620) 2.625 16.624 ( 1.452 0.000 2.449) 2.847 17.411 ( 8.732 0.000 -5.887) 10.531 17.575 ( 0.088 0.000 -5.990) 5.990 17.884 ( 0.104 0.000 -3.804) 3.806 17.889 ( -0.417 0.000 -2.756) 2.788 17.935 ( 4.240 0.000 5.925) 7.286 17.946 ( 2.000 0.000 6.329) 6.637 18.379 ( -0.868 0.000 -0.455) 0.980 18.442 ( -6.063 0.000 4.749) 7.701 18.698 ( 2.186 0.000 -3.289) 3.949 18.796 ( -6.591 0.000 -5.174) 8.379 18.840 ( 0.739 0.000 4.680) 4.738 19.020 ( -13.753 0.000 -5.766) 14.912 19.325 ( -29.787 0.000 19.967) 35.860 19.568 ( -7.044 0.000 0.054) 7.045 20.177 ( 11.449 0.000 6.136) 12.990 20.192 ( 1.154 0.000 -2.022) 2.328 20.490 ( 7.405 0.000 1.270) 7.513 20.730 ( 5.695 0.000 2.006) 6.038 20.747 ( 6.253 0.000 -8.356) 10.437 20.799 ( -1.591 0.000 -7.624) 7.788 20.975 ( 11.675 0.000 5.799) 13.036 21.046 ( 10.473 0.000 -8.237) 13.324 21.072 ( 1.471 0.000 6.191) 6.363 21.195 ( 0.090 0.000 0.103) 0.137 21.199 ( 0.081 0.000 0.169) 0.187 21.486 ( -0.563 0.000 -1.882) 1.964 21.701 ( -1.219 0.000 -0.429) 1.292 21.789 ( -10.098 0.000 -7.720) 12.711 22.262 ( 13.069 0.000 -7.548) 15.092 22.534 ( -1.704 0.000 -3.981) 4.330 23.214 ( -0.081 0.000 -0.081) 0.114 23.242 ( -0.354 0.000 0.538) 0.644 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 22.605 0.000 4.782) 23.105 1.123 ( 19.999 0.000 14.329) 24.603 1.347 ( -1.718 0.000 11.609) 11.735 1.448 ( 11.516 0.000 -6.361) 13.156 1.488 ( -0.816 0.000 7.570) 7.614 1.549 ( 1.923 0.000 -15.080) 15.202 1.721 ( 17.058 0.000 20.198) 26.437 1.798 ( -17.219 0.000 -3.830) 17.640 1.815 ( -3.823 0.000 12.134) 12.722 1.962 ( -8.198 0.000 -8.025) 11.472 2.106 ( -2.251 0.000 -1.047) 2.483 2.153 ( -11.471 0.000 -6.965) 13.420 2.167 ( -5.778 0.000 -4.067) 7.066 2.313 ( -1.538 0.000 1.558) 2.189 2.367 ( -0.047 0.000 3.899) 3.899 2.414 ( -9.011 0.000 -10.460) 13.806 2.475 ( 0.034 0.000 -0.576) 0.577 2.536 ( -3.345 0.000 2.820) 4.375 2.597 ( -1.186 0.000 1.620) 2.008 2.635 ( 0.455 0.000 -3.805) 3.832 2.697 ( -4.670 0.000 1.425) 4.883 2.783 ( 0.610 0.000 7.682) 7.706 2.859 ( 1.281 0.000 2.472) 2.784 2.861 ( -4.058 0.000 7.272) 8.328 2.899 ( -1.111 0.000 2.098) 2.373 3.082 ( -2.982 0.000 -0.959) 3.133 3.145 ( 3.325 0.000 -1.745) 3.755 3.158 ( 1.186 0.000 -3.599) 3.789 3.177 ( -3.159 0.000 4.142) 5.209 3.254 ( -0.501 0.000 -1.699) 1.771 3.271 ( -3.880 0.000 -5.365) 6.621 3.303 ( 0.788 0.000 -1.263) 1.489 3.335 ( -0.532 0.000 -1.456) 1.550 3.403 ( 1.294 0.000 -5.675) 5.820 3.538 ( 5.961 0.000 2.017) 6.293 3.602 ( 1.861 0.000 1.983) 2.719 3.748 ( 6.342 0.000 -0.435) 6.357 3.778 ( -3.049 0.000 -6.605) 7.275 3.824 ( -2.348 0.000 4.270) 4.873 3.842 ( -1.780 0.000 1.431) 2.284 3.881 ( 0.982 0.000 -2.324) 2.523 3.888 ( 1.204 0.000 -0.851) 1.474 3.969 ( -1.708 0.000 4.499) 4.812 4.024 ( -1.040 0.000 0.459) 1.137 4.107 ( 2.219 0.000 1.509) 2.684 4.164 ( -6.376 0.000 -1.641) 6.584 4.333 ( -0.425 0.000 -4.846) 4.864 4.358 ( -4.805 0.000 -7.861) 9.213 4.495 ( -0.977 0.000 -1.544) 1.827 4.559 ( -3.251 0.000 -3.293) 4.628 4.574 ( 1.594 0.000 0.837) 1.800 4.702 ( 6.380 0.000 1.549) 6.566 4.781 ( -4.338 0.000 3.788) 5.759 4.819 ( -0.039 0.000 -2.534) 2.534 4.855 ( 2.638 0.000 -3.237) 4.176 5.023 ( -5.147 0.000 -7.725) 9.282 5.072 ( -0.422 0.000 0.615) 0.746 5.099 ( 0.420 0.000 -7.501) 7.513 5.346 ( 2.014 0.000 0.551) 2.088 5.352 ( 3.009 0.000 -5.654) 6.405 5.557 ( 0.704 0.000 9.871) 9.896 5.682 ( 2.966 0.000 -1.461) 3.307 5.705 ( 2.460 0.000 4.690) 5.296 5.916 ( 3.060 0.000 5.002) 5.863 5.961 ( 4.470 0.000 3.005) 5.386 6.183 ( 2.184 0.000 4.592) 5.085 6.295 ( 10.731 0.000 -7.543) 13.117 6.340 ( 0.736 0.000 2.432) 2.541 6.426 ( -2.932 0.000 3.850) 4.839 6.497 ( 0.924 0.000 2.130) 2.322 6.652 ( 2.202 0.000 -4.629) 5.126 6.659 ( -10.117 0.000 3.413) 10.677 6.739 ( -0.611 0.000 -3.613) 3.664 6.798 ( -1.471 0.000 1.404) 2.034 6.874 ( -3.893 0.000 -1.948) 4.353 7.044 ( 3.401 0.000 1.950) 3.920 7.159 ( -0.881 0.000 -2.972) 3.100 7.407 ( -1.679 0.000 1.712) 2.398 7.626 ( -0.107 0.000 1.510) 1.514 7.626 ( 0.117 0.000 9.530) 9.530 7.686 ( -0.420 0.000 2.980) 3.010 7.804 ( -2.176 0.000 2.624) 3.409 8.007 ( -4.207 0.000 -4.998) 6.533 8.213 ( 3.828 0.000 2.809) 4.748 8.237 ( -1.682 0.000 -5.147) 5.415 8.337 ( 2.080 0.000 -1.067) 2.338 8.536 ( -5.646 0.000 -4.754) 7.381 8.656 ( -1.174 0.000 -3.430) 3.625 8.674 ( -0.378 0.000 2.955) 2.979 8.764 ( 2.607 0.000 1.415) 2.966 8.909 ( -3.858 0.000 2.250) 4.466 8.930 ( -3.925 0.000 7.594) 8.548 8.980 ( 3.360 0.000 3.795) 5.069 9.000 ( 0.551 0.000 -0.460) 0.717 9.264 ( -0.212 0.000 -0.045) 0.216 9.350 ( -1.652 0.000 -0.635) 1.770 9.456 ( -6.144 0.000 -0.791) 6.195 9.508 ( -2.420 0.000 -3.813) 4.516 9.786 ( 0.734 0.000 -1.828) 1.970 9.888 ( 3.428 0.000 0.556) 3.472 10.011 ( 0.143 0.000 -0.828) 0.840 10.052 ( 1.941 0.000 1.405) 2.396 10.104 ( -4.167 0.000 -0.397) 4.186 10.308 ( -1.890 0.000 -2.502) 3.136 10.346 ( 0.434 0.000 4.389) 4.411 10.388 ( 3.639 0.000 -1.334) 3.876 10.526 ( -0.757 0.000 1.005) 1.258 10.552 ( 1.544 0.000 3.529) 3.852 10.693 ( 3.576 0.000 -2.434) 4.326 10.745 ( 1.954 0.000 3.836) 4.305 10.804 ( -1.904 0.000 3.052) 3.597 10.856 ( 6.963 0.000 3.638) 7.856 11.114 ( 0.791 0.000 2.090) 2.235 11.151 ( -2.671 0.000 -3.931) 4.753 11.367 ( -1.380 0.000 -4.950) 5.138 11.553 ( -0.541 0.000 -3.402) 3.445 11.617 ( -0.579 0.000 -0.139) 0.596 11.680 ( 1.641 0.000 2.241) 2.777 11.910 ( -1.723 0.000 0.906) 1.947 11.933 ( 1.093 0.000 -1.654) 1.982 11.990 ( -0.728 0.000 1.099) 1.318 12.062 ( -3.769 0.000 3.802) 5.353 12.165 ( 3.287 0.000 -2.378) 4.057 12.425 ( -3.637 0.000 3.561) 5.090 12.516 ( 1.366 0.000 -0.550) 1.473 12.623 ( -2.749 0.000 5.615) 6.252 12.647 ( 0.166 0.000 0.270) 0.317 12.811 ( -1.514 0.000 -0.941) 1.783 13.099 ( -1.122 0.000 -0.586) 1.266 13.214 ( 0.773 0.000 2.109) 2.246 13.710 ( -0.618 0.000 3.217) 3.276 13.815 ( -1.132 0.000 1.048) 1.543 15.988 ( -0.793 0.000 -2.444) 2.569 16.031 ( -0.378 0.000 -2.016) 2.051 16.646 ( 0.212 0.000 2.846) 2.854 16.678 ( 1.084 0.000 2.164) 2.421 17.540 ( 8.261 0.000 0.892) 8.309 17.556 ( 3.617 0.000 -2.325) 4.300 17.816 ( -2.310 0.000 -4.081) 4.689 17.823 ( -2.245 0.000 -4.754) 5.257 17.971 ( -4.355 0.000 0.271) 4.363 18.121 ( 6.370 0.000 8.683) 10.769 18.390 ( -2.334 0.000 0.117) 2.337 18.398 ( 4.680 0.000 -2.201) 5.172 18.582 ( -8.033 0.000 -4.886) 9.402 18.693 ( -0.085 0.000 -3.948) 3.949 18.797 ( -8.991 0.000 -0.369) 8.998 18.857 ( -0.188 0.000 1.111) 1.127 19.141 ( -7.402 0.000 10.829) 13.117 19.308 ( -17.251 0.000 -1.503) 17.317 20.238 ( 3.950 0.000 -3.801) 5.482 20.390 ( 7.092 0.000 -0.658) 7.122 20.632 ( 6.903 0.000 1.890) 7.157 20.723 ( 1.718 0.000 -2.593) 3.111 20.783 ( 1.888 0.000 0.403) 1.931 20.790 ( 1.900 0.000 0.817) 2.069 21.113 ( 7.141 0.000 -7.244) 10.173 21.137 ( -0.958 0.000 4.411) 4.514 21.191 ( 0.136 0.000 0.184) 0.229 21.203 ( 0.106 0.000 0.108) 0.151 21.365 ( 12.409 0.000 8.354) 14.959 21.430 ( -3.572 0.000 -3.889) 5.281 21.543 ( -9.738 0.000 0.428) 9.747 21.703 ( 2.570 0.000 3.139) 4.057 22.375 ( 5.206 0.000 -1.564) 5.436 22.415 ( -4.270 0.000 -7.333) 8.486 23.211 ( -0.084 0.000 -0.070) 0.109 23.242 ( -0.102 0.000 0.148) 0.180 ======================= Grid point 3 (4/64) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -0.000 0.000 -0.000) 0.000 1.374 ( 0.000 0.000 0.000) 0.000 1.410 ( 0.000 0.000 0.000) 0.000 1.437 ( -0.000 0.000 0.000) 0.000 1.449 ( 0.000 0.000 -0.000) 0.000 1.570 ( -0.000 0.000 -0.000) 0.000 1.584 ( 0.000 0.000 0.000) 0.000 1.811 ( -0.000 0.000 -0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 -0.000) 0.000 2.093 ( -0.000 0.000 -0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 -0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 -0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.817 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 -0.000) 0.000 2.853 ( 0.000 0.000 -0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.131 ( 0.000 0.000 -0.000) 0.000 3.172 ( -0.000 0.000 0.001) 0.001 3.172 ( 0.000 0.000 -0.001) 0.001 3.233 ( 0.000 0.000 0.000) 0.000 3.259 ( -0.000 0.000 -0.000) 0.000 3.276 ( 0.000 0.000 -0.000) 0.000 3.314 ( -0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 -0.000) 0.000 3.662 ( 0.000 0.000 -0.000) 0.000 3.771 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.960 ( -0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 -0.000) 0.000 3.984 ( 0.000 0.000 -0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 -0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.603 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 -0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 4.843 ( -0.000 0.000 -0.000) 0.000 4.846 ( 0.000 0.000 -0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 5.057 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.348 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.642 ( 0.000 0.000 -0.000) 0.000 5.698 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 5.997 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 6.358 ( 0.000 0.000 0.000) 0.000 6.377 ( -0.000 0.000 0.000) 0.000 6.482 ( -0.000 0.000 -0.000) 0.000 6.503 ( 0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 -0.000) 0.000 6.777 ( -0.000 0.000 0.000) 0.000 6.782 ( 0.000 0.000 0.000) 0.000 6.799 ( 0.000 0.000 -0.000) 0.000 7.096 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 -0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 7.694 ( -0.000 0.000 0.000) 0.000 7.702 ( 0.000 0.000 -0.000) 0.000 7.795 ( 0.000 0.000 0.000) 0.000 7.932 ( 0.000 0.000 0.000) 0.000 8.188 ( 0.000 0.000 0.000) 0.000 8.281 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.459 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.687 ( -0.000 0.000 0.000) 0.000 8.795 ( 0.000 0.000 0.000) 0.000 8.888 ( 0.000 0.000 0.000) 0.000 8.944 ( 0.000 0.000 0.000) 0.000 9.003 ( 0.000 0.000 0.000) 0.000 9.042 ( 0.000 0.000 -0.000) 0.000 9.258 ( 0.000 0.000 0.000) 0.000 9.334 ( 0.000 0.000 -0.000) 0.000 9.387 ( 0.000 0.000 0.000) 0.000 9.456 ( 0.000 0.000 0.000) 0.000 9.784 ( 0.000 0.000 0.000) 0.000 9.948 ( -0.000 0.000 0.000) 0.000 10.010 ( 0.000 0.000 -0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 10.081 ( 0.000 0.000 0.000) 0.000 10.292 ( 0.000 0.000 0.000) 0.000 10.380 ( 0.000 0.000 0.000) 0.000 10.413 ( 0.000 0.000 -0.000) 0.000 10.521 ( 0.000 0.000 0.000) 0.000 10.573 ( 0.000 0.000 0.000) 0.000 10.709 ( 0.000 0.000 0.000) 0.000 10.802 ( 0.000 0.000 0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 10.982 ( 0.000 0.000 0.000) 0.000 11.072 ( 0.000 0.000 0.000) 0.000 11.131 ( 0.000 0.000 0.000) 0.000 11.325 ( 0.000 0.000 0.000) 0.000 11.526 ( 0.000 0.000 0.000) 0.000 11.611 ( 0.000 0.000 0.000) 0.000 11.719 ( 0.000 0.000 0.000) 0.000 11.900 ( 0.000 0.000 0.000) 0.000 11.909 ( 0.000 0.000 0.000) 0.000 11.992 ( 0.000 0.000 -0.000) 0.000 12.056 ( 0.000 0.000 0.000) 0.000 12.180 ( 0.000 0.000 0.000) 0.000 12.411 ( 0.000 0.000 0.000) 0.000 12.527 ( -0.000 0.000 0.000) 0.000 12.630 ( 0.000 0.000 -0.000) 0.000 12.650 ( 0.000 0.000 0.000) 0.000 12.788 ( 0.000 0.000 0.000) 0.000 13.084 ( 0.000 0.000 0.000) 0.000 13.235 ( 0.000 0.000 0.000) 0.000 13.723 ( 0.000 0.000 0.000) 0.000 13.809 ( 0.000 0.000 0.000) 0.000 15.966 ( 0.000 0.000 0.000) 0.000 16.013 ( 0.000 0.000 0.000) 0.000 16.667 ( 0.000 0.000 0.000) 0.000 16.701 ( 0.000 0.000 0.000) 0.000 17.614 ( 0.000 0.000 0.000) 0.000 17.696 ( 0.000 0.000 0.000) 0.000 17.705 ( -0.000 0.000 -0.000) 0.000 17.744 ( 0.000 0.000 0.000) 0.000 17.896 ( 0.000 0.000 0.000) 0.000 18.284 ( -0.000 0.000 0.000) 0.000 18.369 ( 0.000 0.000 -0.000) 0.000 18.454 ( -0.000 0.000 0.000) 0.000 18.464 ( 0.000 0.000 -0.000) 0.000 18.567 ( 0.000 0.000 0.000) 0.000 18.737 ( 0.000 0.000 0.000) 0.000 18.997 ( 0.000 0.000 0.000) 0.000 19.008 ( -0.000 0.000 -0.000) 0.000 19.164 ( 0.000 0.000 0.000) 0.000 20.242 ( 0.000 0.000 0.000) 0.000 20.430 ( 0.000 0.000 0.000) 0.000 20.731 ( 0.000 0.000 0.000) 0.000 20.771 ( -0.000 0.000 0.000) 0.000 20.796 ( 0.000 0.000 -0.000) 0.000 20.798 ( 0.000 0.000 0.000) 0.000 21.148 ( 0.000 0.000 0.000) 0.000 21.154 ( 0.000 0.000 0.000) 0.000 21.192 ( 0.000 0.000 0.000) 0.000 21.205 ( 0.000 0.000 0.000) 0.000 21.314 ( 0.000 0.000 0.000) 0.000 21.484 ( 0.000 0.000 0.000) 0.000 21.488 ( 0.000 0.000 0.000) 0.000 21.835 ( 0.000 0.000 0.000) 0.000 22.289 ( 0.000 0.000 0.000) 0.000 22.413 ( 0.000 0.000 0.000) 0.000 23.210 ( 0.000 0.000 0.000) 0.000 23.242 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/64) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 0.000 24.072 0.000) 24.072 0.511 ( 0.000 26.248 0.000) 26.248 0.971 ( 0.000 -2.182 0.000) 2.182 1.058 ( 0.000 49.202 0.000) 49.202 1.594 ( 0.000 24.698 0.000) 24.698 1.856 ( 0.000 1.575 0.000) 1.575 1.956 ( 0.000 0.303 0.000) 0.303 2.061 ( 0.000 5.702 0.000) 5.702 2.125 ( 0.000 10.073 0.000) 10.073 2.223 ( 0.000 -2.338 0.000) 2.338 2.294 ( 0.000 -2.888 0.000) 2.888 2.350 ( 0.000 4.158 0.000) 4.158 2.380 ( 0.000 1.934 0.000) 1.934 2.402 ( 0.000 0.656 0.000) 0.656 2.492 ( 0.000 -0.001 0.000) 0.001 2.512 ( 0.000 0.799 0.000) 0.799 2.628 ( 0.000 7.665 0.000) 7.665 2.656 ( 0.000 -4.917 0.000) 4.917 2.683 ( 0.000 -2.775 0.000) 2.775 2.749 ( 0.000 3.853 0.000) 3.853 2.824 ( 0.000 0.333 0.000) 0.333 2.847 ( 0.000 0.022 0.000) 0.022 2.924 ( 0.000 -3.506 0.000) 3.506 3.032 ( 0.000 -1.586 0.000) 1.586 3.039 ( 0.000 3.867 0.000) 3.867 3.113 ( 0.000 0.620 0.000) 0.620 3.144 ( 0.000 0.277 0.000) 0.277 3.165 ( 0.000 3.380 0.000) 3.380 3.181 ( 0.000 4.420 0.000) 4.420 3.224 ( 0.000 1.022 0.000) 1.022 3.283 ( 0.000 -0.788 0.000) 0.788 3.356 ( 0.000 9.782 0.000) 9.782 3.399 ( 0.000 0.201 0.000) 0.201 3.598 ( 0.000 -9.782 0.000) 9.782 3.612 ( 0.000 1.436 0.000) 1.436 3.622 ( 0.000 6.023 0.000) 6.023 3.680 ( 0.000 1.919 0.000) 1.919 3.785 ( 0.000 12.942 0.000) 12.942 3.825 ( 0.000 4.541 0.000) 4.541 3.892 ( 0.000 -2.334 0.000) 2.334 3.968 ( 0.000 4.493 0.000) 4.493 4.015 ( 0.000 4.121 0.000) 4.121 4.050 ( 0.000 4.604 0.000) 4.604 4.199 ( 0.000 8.955 0.000) 8.955 4.205 ( 0.000 7.645 0.000) 7.645 4.304 ( 0.000 -3.245 0.000) 3.245 4.380 ( 0.000 13.372 0.000) 13.372 4.454 ( 0.000 1.111 0.000) 1.111 4.487 ( 0.000 0.542 0.000) 0.542 4.558 ( 0.000 0.744 0.000) 0.744 4.646 ( 0.000 12.624 0.000) 12.624 4.723 ( 0.000 0.340 0.000) 0.340 4.830 ( 0.000 -1.367 0.000) 1.367 4.833 ( 0.000 -3.915 0.000) 3.915 4.856 ( 0.000 10.560 0.000) 10.560 4.955 ( 0.000 0.620 0.000) 0.620 5.070 ( 0.000 -2.227 0.000) 2.227 5.162 ( 0.000 -0.271 0.000) 0.271 5.296 ( 0.000 2.162 0.000) 2.162 5.427 ( 0.000 3.339 0.000) 3.339 5.551 ( 0.000 10.594 0.000) 10.594 5.602 ( 0.000 0.395 0.000) 0.395 5.652 ( 0.000 -8.359 0.000) 8.359 5.713 ( 0.000 -8.145 0.000) 8.145 5.951 ( 0.000 -0.888 0.000) 0.888 5.970 ( 0.000 0.069 0.000) 0.069 6.181 ( 0.000 -3.648 0.000) 3.648 6.196 ( 0.000 3.893 0.000) 3.893 6.422 ( 0.000 -1.404 0.000) 1.404 6.529 ( 0.000 3.032 0.000) 3.032 6.727 ( 0.000 0.672 0.000) 0.672 6.749 ( 0.000 -5.896 0.000) 5.896 6.862 ( 0.000 -1.463 0.000) 1.463 6.950 ( 0.000 2.643 0.000) 2.643 6.957 ( 0.000 7.049 0.000) 7.049 7.011 ( 0.000 3.113 0.000) 3.113 7.030 ( 0.000 -1.586 0.000) 1.586 7.229 ( 0.000 -4.101 0.000) 4.101 7.590 ( 0.000 -1.205 0.000) 1.205 7.634 ( 0.000 1.814 0.000) 1.814 7.708 ( 0.000 2.966 0.000) 2.966 7.729 ( 0.000 -3.192 0.000) 3.192 8.052 ( 0.000 -7.692 0.000) 7.692 8.186 ( 0.000 -9.408 0.000) 9.408 8.238 ( 0.000 -3.471 0.000) 3.471 8.415 ( 0.000 -2.357 0.000) 2.357 8.514 ( 0.000 -5.361 0.000) 5.361 8.564 ( 0.000 -8.721 0.000) 8.721 8.656 ( 0.000 -3.518 0.000) 3.518 8.747 ( 0.000 -3.744 0.000) 3.744 8.748 ( 0.000 -5.740 0.000) 5.740 8.883 ( 0.000 -0.498 0.000) 0.498 8.981 ( 0.000 0.262 0.000) 0.262 8.996 ( 0.000 1.850 0.000) 1.850 9.374 ( 0.000 10.028 0.000) 10.028 9.460 ( 0.000 -10.105 0.000) 10.105 9.536 ( 0.000 -7.370 0.000) 7.370 9.708 ( 0.000 4.561 0.000) 4.561 9.794 ( 0.000 0.151 0.000) 0.151 9.846 ( 0.000 11.023 0.000) 11.023 9.915 ( 0.000 1.085 0.000) 1.085 10.067 ( 0.000 -3.601 0.000) 3.601 10.190 ( 0.000 -0.247 0.000) 0.247 10.322 ( 0.000 -1.236 0.000) 1.236 10.395 ( 0.000 11.193 0.000) 11.193 10.445 ( 0.000 2.332 0.000) 2.332 10.537 ( 0.000 5.440 0.000) 5.440 10.574 ( 0.000 4.499 0.000) 4.499 10.639 ( 0.000 10.158 0.000) 10.158 10.781 ( 0.000 -0.190 0.000) 0.190 10.955 ( 0.000 7.712 0.000) 7.712 11.092 ( 0.000 9.723 0.000) 9.723 11.182 ( 0.000 -1.995 0.000) 1.995 11.364 ( 0.000 -2.141 0.000) 2.141 11.620 ( 0.000 -1.170 0.000) 1.170 11.633 ( 0.000 0.539 0.000) 0.539 11.697 ( 0.000 4.565 0.000) 4.565 11.764 ( 0.000 -3.100 0.000) 3.100 11.874 ( 0.000 -0.615 0.000) 0.615 11.937 ( 0.000 -4.867 0.000) 4.867 11.970 ( 0.000 -3.243 0.000) 3.243 11.988 ( 0.000 -3.860 0.000) 3.860 12.017 ( 0.000 1.509 0.000) 1.509 12.269 ( 0.000 0.324 0.000) 0.324 12.510 ( 0.000 0.350 0.000) 0.350 12.555 ( 0.000 -1.059 0.000) 1.059 12.673 ( 0.000 -0.164 0.000) 0.164 12.825 ( 0.000 -4.030 0.000) 4.030 13.120 ( 0.000 -2.638 0.000) 2.638 13.288 ( 0.000 -2.887 0.000) 2.887 13.520 ( 0.000 -12.679 0.000) 12.679 13.681 ( 0.000 -12.856 0.000) 12.856 16.146 ( 0.000 7.421 0.000) 7.421 16.539 ( 0.000 3.266 0.000) 3.266 16.781 ( 0.000 12.093 0.000) 12.093 17.275 ( 0.000 -7.806 0.000) 7.806 17.294 ( 0.000 2.641 0.000) 2.641 17.699 ( 0.000 -8.873 0.000) 8.873 17.796 ( 0.000 -4.642 0.000) 4.642 17.884 ( 0.000 -0.356 0.000) 0.356 17.992 ( 0.000 4.268 0.000) 4.268 18.128 ( 0.000 6.365 0.000) 6.365 18.288 ( 0.000 -7.412 0.000) 7.412 18.565 ( 0.000 -7.131 0.000) 7.131 18.770 ( 0.000 -1.869 0.000) 1.869 18.904 ( 0.000 1.749 0.000) 1.749 19.003 ( 0.000 -0.050 0.000) 0.050 19.217 ( 0.000 2.903 0.000) 2.903 19.547 ( 0.000 15.113 0.000) 15.113 19.586 ( 0.000 -2.656 0.000) 2.656 19.986 ( 0.000 1.398 0.000) 1.398 20.260 ( 0.000 -5.164 0.000) 5.164 20.339 ( 0.000 1.628 0.000) 1.628 20.364 ( 0.000 -0.973 0.000) 0.973 20.445 ( 0.000 -8.917 0.000) 8.917 20.745 ( 0.000 -8.696 0.000) 8.696 20.771 ( 0.000 -1.675 0.000) 1.675 20.876 ( 0.000 -6.168 0.000) 6.168 20.981 ( 0.000 -0.122 0.000) 0.122 21.194 ( 0.000 4.382 0.000) 4.382 21.205 ( 0.000 -2.654 0.000) 2.654 21.516 ( 0.000 3.567 0.000) 3.567 21.925 ( 0.000 -3.762 0.000) 3.762 22.009 ( 0.000 21.281 0.000) 21.281 22.515 ( 0.000 -5.532 0.000) 5.532 22.540 ( 0.000 11.495 0.000) 11.495 23.186 ( 0.000 -2.534 0.000) 2.534 23.234 ( 0.000 -0.243 0.000) 0.243 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 10.021 17.525 4.917) 20.778 0.796 ( 13.877 12.686 21.082) 28.249 1.105 ( 8.734 -1.141 8.564) 12.285 1.389 ( 18.993 34.880 13.246) 41.866 1.608 ( -0.429 22.403 4.251) 22.807 1.710 ( -3.474 3.235 -9.175) 10.331 1.946 ( -1.089 13.887 -8.272) 16.201 2.055 ( -12.616 4.376 -1.400) 13.427 2.120 ( -0.458 2.676 5.037) 5.722 2.148 ( -1.884 -0.378 -0.674) 2.036 2.218 ( -4.306 8.849 -2.962) 10.277 2.260 ( -5.637 1.531 -4.287) 7.245 2.320 ( -3.450 3.766 -1.096) 5.224 2.424 ( -1.838 6.318 -2.270) 6.960 2.439 ( -0.084 -0.860 -0.342) 0.929 2.495 ( -2.161 0.436 1.535) 2.686 2.504 ( -3.904 0.999 1.059) 4.167 2.630 ( -0.067 1.495 -1.175) 1.903 2.647 ( -5.216 -1.151 0.167) 5.344 2.685 ( -6.918 -0.634 -1.515) 7.111 2.786 ( -2.146 -0.396 -1.356) 2.569 2.835 ( -3.778 -0.303 1.943) 4.259 2.863 ( -2.456 1.089 -0.266) 2.700 2.980 ( -4.487 3.902 -2.944) 6.635 3.025 ( -2.355 1.365 2.051) 3.408 3.065 ( -6.004 3.072 5.028) 8.413 3.169 ( 0.461 3.753 -0.586) 3.827 3.180 ( 1.125 -0.381 -0.124) 1.194 3.252 ( 4.598 3.900 -2.067) 6.373 3.283 ( 3.076 2.217 -0.396) 3.812 3.332 ( -0.343 -1.035 -3.469) 3.636 3.349 ( 3.692 0.206 4.112) 5.531 3.393 ( 1.638 5.636 -2.204) 6.269 3.435 ( -2.561 2.007 -4.420) 5.488 3.606 ( -2.889 2.770 1.339) 4.220 3.636 ( -0.285 6.973 -2.136) 7.299 3.655 ( -0.757 2.847 -2.219) 3.688 3.754 ( -1.386 0.538 0.340) 1.525 3.855 ( 0.636 6.459 -1.846) 6.748 3.888 ( 4.008 7.950 0.821) 8.941 3.947 ( 0.966 4.356 -3.769) 5.841 3.990 ( -2.315 8.284 -0.103) 8.602 4.062 ( -2.388 4.688 5.174) 7.379 4.176 ( -1.104 9.060 0.050) 9.127 4.257 ( 1.498 11.881 -2.897) 12.320 4.295 ( 1.461 -3.809 -2.865) 4.985 4.336 ( 0.823 5.537 3.909) 6.827 4.441 ( -3.946 5.250 -1.666) 6.776 4.527 ( -5.569 -0.203 -7.138) 9.056 4.570 ( -0.455 -0.703 0.214) 0.864 4.636 ( -0.189 7.763 2.039) 8.029 4.678 ( 2.708 -2.875 0.056) 3.950 4.773 ( -0.001 -0.775 -2.052) 2.193 4.837 ( 2.896 7.575 -2.377) 8.451 4.909 ( 0.836 -3.731 1.938) 4.287 4.994 ( 2.547 2.365 -2.653) 4.373 5.101 ( 2.098 -3.324 -4.036) 5.634 5.157 ( 0.274 -1.134 -3.966) 4.134 5.303 ( 0.888 -1.305 3.690) 4.014 5.408 ( -0.229 3.976 -1.996) 4.455 5.513 ( -0.641 1.443 -2.419) 2.889 5.542 ( -0.393 -2.745 -1.201) 3.022 5.746 ( 2.134 0.248 3.412) 4.031 5.779 ( 1.810 -2.964 7.940) 8.667 5.933 ( -0.126 5.187 -3.597) 6.314 6.032 ( 5.305 -0.455 3.295) 6.262 6.175 ( 4.695 -1.035 -2.189) 5.282 6.262 ( 2.439 -0.388 4.928) 5.512 6.440 ( 2.099 -1.897 -0.270) 2.842 6.510 ( -1.875 3.555 -0.306) 4.031 6.658 ( -0.081 -3.446 -5.626) 6.598 6.733 ( -3.903 -1.622 3.634) 5.574 6.843 ( -0.438 2.771 -1.569) 3.215 6.889 ( -0.373 2.481 -0.949) 2.682 6.960 ( -5.801 3.912 1.882) 7.246 7.016 ( 2.451 1.824 -4.196) 5.190 7.143 ( 1.373 -3.489 -1.460) 4.024 7.294 ( 2.186 -5.740 14.224) 15.493 7.528 ( -7.003 3.346 0.322) 7.768 7.622 ( -0.032 -0.177 2.870) 2.875 7.689 ( -0.853 1.116 0.607) 1.530 7.769 ( -0.807 -3.327 3.919) 5.204 8.041 ( -1.935 -7.745 -1.295) 8.087 8.135 ( -1.170 -4.116 0.851) 4.363 8.249 ( 0.444 -5.218 -2.527) 5.814 8.358 ( -1.652 -1.639 -4.509) 5.074 8.546 ( 1.248 -6.865 1.970) 7.250 8.596 ( -1.214 -7.314 1.650) 7.596 8.632 ( -0.537 -4.260 1.235) 4.468 8.727 ( 0.234 -2.966 -1.257) 3.230 8.839 ( 0.675 -3.333 7.789) 8.499 8.864 ( -2.066 -4.165 1.800) 4.985 8.980 ( -0.675 2.929 0.952) 3.153 9.006 ( 0.372 1.629 1.380) 2.167 9.368 ( 0.310 9.216 -1.285) 9.310 9.457 ( -1.948 -8.130 -1.837) 8.559 9.516 ( -0.445 -8.311 0.162) 8.324 9.692 ( 0.097 5.962 -3.921) 7.137 9.748 ( -2.168 3.262 -2.466) 4.629 9.831 ( -0.967 1.712 -5.160) 5.522 9.938 ( -1.434 1.900 0.580) 2.450 9.955 ( -1.276 -0.076 0.137) 1.286 10.282 ( -0.706 -3.777 5.167) 6.439 10.327 ( -2.943 11.950 2.613) 12.581 10.384 ( 1.691 3.417 1.080) 3.962 10.456 ( 0.032 6.168 0.613) 6.198 10.485 ( -0.264 2.576 -0.247) 2.602 10.623 ( 4.483 4.073 -2.055) 6.396 10.724 ( 3.440 7.858 3.298) 9.190 10.779 ( 2.895 2.448 -2.631) 4.614 10.918 ( -2.771 6.719 -0.327) 7.276 11.014 ( -10.735 18.081 -5.991) 21.864 11.161 ( 0.779 3.109 -2.381) 3.992 11.193 ( -4.725 3.299 2.226) 6.178 11.546 ( -2.825 3.201 -6.509) 7.784 11.637 ( 0.358 0.817 0.140) 0.903 11.641 ( -1.556 3.286 -3.598) 5.115 11.682 ( 0.649 6.224 -3.616) 7.227 11.853 ( 3.214 -3.752 -0.055) 4.941 11.910 ( -3.444 -3.205 2.547) 5.350 11.984 ( -0.940 -0.437 1.524) 1.843 12.044 ( 2.058 -3.885 1.186) 4.553 12.071 ( 2.346 -4.293 0.201) 4.896 12.349 ( -2.359 -6.769 9.778) 12.124 12.493 ( -2.576 0.246 1.687) 3.089 12.552 ( 0.093 -2.213 -0.795) 2.353 12.659 ( -1.989 0.321 1.846) 2.732 12.830 ( -0.197 -3.278 0.716) 3.361 13.096 ( -2.305 -2.650 -0.005) 3.512 13.217 ( -3.140 0.255 0.411) 3.177 13.527 ( 0.094 -13.396 0.652) 13.412 13.697 ( -0.196 -12.207 2.192) 12.404 16.140 ( 0.326 9.338 -1.087) 9.407 16.539 ( -4.955 8.749 -8.830) 13.382 16.587 ( -10.471 15.876 -0.408) 19.022 17.008 ( -9.090 21.397 -0.842) 23.264 17.344 ( 3.851 -3.447 -1.955) 5.525 17.688 ( -0.994 7.292 -7.525) 10.525 17.703 ( -0.955 -10.560 -0.687) 10.625 17.865 ( -4.767 2.402 -3.766) 6.533 17.949 ( 1.186 -0.764 1.023) 1.743 18.046 ( 3.079 4.929 3.423) 6.745 18.295 ( 2.245 -6.560 1.323) 7.059 18.484 ( -8.455 2.875 6.387) 10.980 18.588 ( -0.116 -6.594 -4.011) 7.719 18.803 ( -7.086 2.200 -3.034) 8.016 18.872 ( 0.507 3.524 2.953) 4.626 19.200 ( -13.436 12.107 -7.586) 19.612 19.328 ( -20.225 -0.767 11.776) 23.416 19.585 ( -10.753 1.537 1.259) 10.935 20.145 ( 9.704 -3.504 5.163) 11.537 20.214 ( 4.315 -0.988 -3.372) 5.565 20.416 ( 5.465 -8.426 2.208) 10.282 20.486 ( 4.942 -15.216 -5.287) 16.849 20.619 ( 5.843 -6.563 4.081) 9.689 20.754 ( 2.609 -0.854 -2.644) 3.812 20.921 ( 13.285 -4.632 3.270) 14.444 20.968 ( 8.160 -4.516 -0.950) 9.374 21.028 ( 2.814 -3.459 1.577) 4.730 21.138 ( 2.590 2.669 -4.114) 5.546 21.259 ( -0.050 2.639 0.561) 2.698 21.544 ( 1.245 2.241 -2.987) 3.936 21.983 ( 0.092 12.349 1.583) 12.450 22.016 ( -0.103 8.310 2.725) 8.746 22.303 ( -5.975 16.311 -10.043) 20.065 22.481 ( -1.947 -5.209 -3.322) 6.478 23.192 ( -0.055 -2.375 0.522) 2.432 23.233 ( -0.192 -0.820 -0.012) 0.842 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 19.161 5.223 6.366) 20.855 1.274 ( 14.746 7.054 16.069) 22.922 1.392 ( 12.015 -1.984 4.468) 12.972 1.544 ( -4.754 10.871 1.739) 11.991 1.619 ( -0.859 14.286 2.137) 14.470 1.759 ( -10.191 8.701 -0.226) 13.402 1.802 ( -4.428 12.314 -6.531) 14.625 1.929 ( 7.681 15.173 7.277) 18.498 2.007 ( -6.420 4.218 -4.376) 8.841 2.037 ( -4.686 11.515 0.222) 12.434 2.135 ( -10.311 2.034 -6.718) 12.473 2.164 ( -0.743 3.649 -2.006) 4.230 2.285 ( 1.447 3.719 0.670) 4.047 2.352 ( -4.241 9.583 0.139) 10.480 2.394 ( -4.369 0.293 -5.277) 6.857 2.433 ( -4.448 -1.733 3.256) 5.779 2.488 ( -2.330 2.632 -1.064) 3.673 2.553 ( 1.944 1.407 3.528) 4.267 2.577 ( -1.806 1.265 -0.037) 2.205 2.655 ( -1.916 -0.479 -3.772) 4.258 2.706 ( -1.245 -2.090 2.174) 3.263 2.826 ( -5.974 2.536 -1.136) 6.588 2.872 ( 2.596 2.459 6.282) 7.228 2.927 ( 1.500 5.364 4.327) 7.053 2.971 ( -3.543 -1.528 0.388) 3.878 3.016 ( -1.336 1.201 -1.119) 2.116 3.145 ( -1.021 -2.237 0.831) 2.596 3.194 ( 0.354 2.970 2.249) 3.742 3.221 ( 0.863 3.616 -3.595) 5.172 3.312 ( -1.074 3.414 -0.583) 3.626 3.344 ( 3.252 1.416 -2.986) 4.637 3.380 ( -1.989 8.974 -3.894) 9.983 3.417 ( 3.293 6.846 2.387) 7.962 3.449 ( -1.019 10.973 -0.092) 11.020 3.564 ( -1.200 3.443 1.929) 4.124 3.624 ( 1.012 2.267 -0.745) 2.592 3.709 ( 1.931 -2.820 -0.164) 3.422 3.727 ( 2.814 -2.125 -0.500) 3.561 3.840 ( -0.604 6.199 -0.672) 6.265 3.895 ( -5.622 3.408 3.707) 7.547 3.955 ( 0.348 7.944 -2.782) 8.424 3.979 ( 4.928 8.373 -2.416) 10.012 4.054 ( -1.483 7.897 2.205) 8.333 4.142 ( -3.153 8.527 -4.931) 10.343 4.216 ( -3.322 5.491 0.009) 6.418 4.242 ( -3.431 5.500 -0.912) 6.546 4.298 ( -2.600 5.615 -1.687) 6.414 4.368 ( -1.780 4.910 -7.130) 8.838 4.454 ( 3.644 -5.287 1.628) 6.624 4.533 ( -2.208 3.122 0.308) 3.836 4.611 ( -2.566 -1.606 0.577) 3.081 4.745 ( 1.210 1.200 2.815) 3.291 4.766 ( 1.079 -1.331 -2.097) 2.708 4.874 ( 3.085 2.351 -4.521) 5.957 4.897 ( -2.443 3.269 -0.140) 4.084 4.953 ( -1.967 3.780 -4.544) 6.230 5.050 ( -0.282 -4.747 -5.306) 7.125 5.103 ( 0.754 -0.406 -4.090) 4.178 5.355 ( 0.941 1.390 0.972) 1.939 5.431 ( 2.679 2.703 0.892) 3.909 5.506 ( -0.164 -6.740 1.868) 6.996 5.589 ( 3.054 -4.692 4.185) 6.990 5.773 ( 0.830 7.043 -1.883) 7.338 5.890 ( 1.638 -1.569 4.162) 4.740 5.985 ( 2.992 1.374 6.734) 7.496 6.167 ( 3.686 -0.629 3.513) 5.130 6.270 ( 9.275 -1.062 -4.775) 10.486 6.360 ( 2.338 -0.530 3.295) 4.075 6.465 ( -2.382 3.031 2.036) 4.360 6.499 ( 4.063 -0.281 -0.674) 4.128 6.607 ( -0.943 -3.172 -2.433) 4.108 6.690 ( -4.928 -0.660 1.039) 5.080 6.740 ( -6.293 -2.421 -2.579) 7.219 6.858 ( -2.867 1.201 0.590) 3.164 6.922 ( 0.441 11.314 -0.867) 11.355 7.032 ( 2.017 -0.072 -1.564) 2.553 7.096 ( -0.522 -4.096 -3.271) 5.267 7.428 ( -2.164 1.902 -0.544) 2.932 7.492 ( 1.697 -7.316 9.780) 12.331 7.647 ( -0.437 -1.158 0.470) 1.324 7.691 ( -0.433 0.348 2.123) 2.195 7.784 ( -1.441 -2.743 2.716) 4.121 7.968 ( -2.917 -2.456 -1.276) 4.021 8.169 ( -0.701 -5.166 0.199) 5.217 8.210 ( 1.433 -3.860 -0.606) 4.162 8.298 ( 0.445 -3.174 -3.804) 4.974 8.526 ( -2.802 -2.926 -1.060) 4.188 8.595 ( -0.509 -5.203 1.349) 5.399 8.648 ( -0.622 -3.256 0.705) 3.389 8.711 ( 0.149 -5.905 -1.734) 6.156 8.871 ( -0.652 -3.779 5.797) 6.950 8.933 ( 0.988 -1.242 3.870) 4.183 8.979 ( -0.100 4.505 0.088) 4.507 9.045 ( 0.343 2.220 3.907) 4.506 9.357 ( -0.062 7.554 -1.570) 7.716 9.373 ( -2.799 -3.324 -2.375) 4.952 9.497 ( -0.923 -6.633 -2.177) 7.042 9.570 ( -5.570 11.365 -3.905) 13.245 9.697 ( -2.501 -3.493 -4.257) 6.048 9.755 ( 1.931 -8.115 -0.834) 8.383 9.983 ( 1.920 0.868 2.515) 3.281 10.000 ( 3.231 4.977 2.144) 6.310 10.220 ( -5.411 5.855 0.822) 8.015 10.271 ( -4.897 2.005 -0.491) 5.314 10.466 ( 3.003 3.008 0.044) 4.251 10.476 ( 1.457 2.450 2.779) 3.981 10.555 ( 3.447 9.249 2.820) 10.265 10.649 ( -1.358 2.895 -1.418) 3.498 10.684 ( 1.176 1.706 -4.229) 4.709 10.863 ( -3.340 7.174 3.355) 8.595 10.892 ( 2.304 9.717 -4.520) 10.962 10.947 ( 6.923 8.606 6.120) 12.627 11.139 ( -1.483 -0.277 -1.945) 2.461 11.180 ( -0.688 5.149 1.380) 5.375 11.428 ( -2.560 3.987 -5.113) 6.971 11.575 ( -1.781 1.637 -2.150) 3.236 11.654 ( 1.441 3.896 -0.998) 4.272 11.693 ( 1.593 2.460 0.777) 3.032 11.885 ( -0.399 -3.153 -0.029) 3.179 11.897 ( 0.114 -2.775 0.270) 2.791 11.978 ( -1.365 -0.858 1.408) 2.140 12.057 ( -3.148 -0.400 3.606) 4.804 12.108 ( 3.608 -5.991 -3.037) 7.625 12.386 ( -1.917 -6.500 4.655) 8.222 12.469 ( -1.583 -0.916 1.077) 2.123 12.541 ( -0.188 -4.767 -0.738) 4.827 12.652 ( -0.482 -0.163 0.608) 0.793 12.830 ( -0.984 -0.945 1.249) 1.849 13.059 ( -1.514 -3.440 -0.084) 3.760 13.209 ( -0.115 -1.083 1.736) 2.049 13.530 ( -0.235 -14.723 0.076) 14.725 13.717 ( -0.186 -10.841 1.884) 11.005 16.122 ( -1.185 13.301 -1.714) 13.464 16.290 ( -3.561 20.180 -3.637) 20.812 16.591 ( -0.039 0.338 1.439) 1.479 16.948 ( -2.184 17.875 2.215) 18.144 17.394 ( 3.509 -6.797 -0.153) 7.651 17.612 ( -2.670 -9.450 -3.330) 10.369 17.729 ( 3.132 4.353 -2.010) 5.727 17.752 ( -0.316 -3.683 -2.103) 4.253 18.031 ( 0.194 -0.262 4.034) 4.047 18.129 ( 2.243 1.205 1.477) 2.943 18.320 ( 1.709 -1.917 -0.537) 2.624 18.494 ( 2.155 -0.071 -1.789) 2.801 18.571 ( -1.335 3.997 4.592) 6.233 18.660 ( -4.596 0.113 -0.195) 4.601 18.868 ( -6.597 5.892 -2.734) 9.258 18.907 ( -5.323 3.203 -4.347) 7.582 19.142 ( -7.918 -0.067 3.779) 8.774 19.332 ( -15.315 2.169 1.717) 15.563 20.202 ( 1.610 -5.912 -4.676) 7.708 20.391 ( 8.114 -1.921 2.707) 8.767 20.447 ( -1.188 -18.459 -2.881) 18.720 20.582 ( 9.283 -4.591 1.253) 10.431 20.735 ( 2.703 -4.343 2.899) 5.880 20.796 ( 2.396 -1.191 0.378) 2.702 20.992 ( 2.250 -6.472 -3.950) 7.909 21.018 ( 1.630 -3.716 0.650) 4.110 21.166 ( 2.669 3.427 -1.420) 4.570 21.203 ( -1.774 1.204 -2.051) 2.967 21.421 ( 17.270 -2.482 11.253) 20.761 21.462 ( -5.495 3.299 -2.154) 6.761 21.952 ( -3.166 23.521 -0.444) 23.738 21.966 ( -4.137 22.757 -0.751) 23.143 22.268 ( 3.416 -7.968 -0.585) 8.689 22.375 ( -3.620 -3.430 -5.740) 7.604 23.195 ( -0.050 -1.918 0.159) 1.926 23.228 ( -0.181 -1.387 -0.055) 1.400 ======================= Grid point 10 (8/64) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 0.000 -5.721 0.000) 5.721 1.381 ( -0.000 5.498 -0.000) 5.498 1.466 ( 0.000 3.508 0.000) 3.508 1.597 ( 0.000 5.145 0.000) 5.145 1.660 ( 0.000 17.001 0.000) 17.001 1.696 ( 0.000 18.664 0.000) 18.664 1.772 ( -0.000 -0.309 -0.000) 0.309 1.774 ( 0.000 10.531 0.000) 10.531 1.903 ( 0.000 5.062 0.000) 5.062 2.031 ( 0.000 2.370 0.000) 2.370 2.101 ( 0.000 8.267 0.000) 8.267 2.118 ( 0.000 6.573 -0.000) 6.573 2.194 ( 0.000 5.981 0.000) 5.981 2.279 ( 0.000 7.979 0.000) 7.979 2.406 ( 0.000 5.603 -0.000) 5.603 2.420 ( -0.000 -1.934 0.000) 1.934 2.496 ( -0.000 7.257 -0.000) 7.257 2.532 ( 0.000 -1.162 0.000) 1.162 2.610 ( 0.000 -4.346 0.000) 4.346 2.619 ( 0.000 1.789 -0.000) 1.789 2.696 ( 0.000 10.635 0.000) 10.635 2.746 ( 0.000 -8.068 0.000) 8.068 2.950 ( 0.000 10.070 0.000) 10.070 2.964 ( 0.000 3.984 0.000) 3.984 2.985 ( 0.000 -5.141 0.000) 5.141 3.051 ( 0.000 0.413 0.000) 0.413 3.110 ( 0.000 -7.216 -0.000) 7.216 3.228 ( 0.000 5.192 0.000) 5.192 3.251 ( 0.000 -1.184 0.000) 1.184 3.294 ( 0.000 12.685 -0.000) 12.685 3.303 ( 0.000 6.249 0.000) 6.249 3.340 ( 0.000 3.700 -0.000) 3.700 3.395 ( 0.000 15.552 0.000) 15.552 3.499 ( 0.000 11.650 0.000) 11.650 3.550 ( -0.000 -2.241 0.000) 2.241 3.623 ( 0.000 -3.667 -0.000) 3.667 3.670 ( 0.000 2.858 0.000) 2.858 3.794 ( 0.000 2.898 0.000) 2.898 3.844 ( 0.000 6.588 -0.000) 6.588 3.871 ( 0.000 -7.922 0.000) 7.922 3.951 ( -0.000 7.365 0.000) 7.365 4.018 ( 0.000 4.003 0.000) 4.003 4.040 ( -0.000 12.409 0.000) 12.409 4.072 ( 0.000 5.509 -0.000) 5.509 4.120 ( 0.000 13.035 0.000) 13.035 4.211 ( 0.000 -1.479 0.000) 1.479 4.303 ( -0.000 10.940 0.000) 10.940 4.310 ( 0.000 5.616 -0.000) 5.616 4.486 ( 0.000 -0.362 0.000) 0.362 4.526 ( 0.000 -3.251 0.000) 3.251 4.592 ( 0.000 1.153 0.000) 1.153 4.755 ( 0.000 -5.712 0.000) 5.712 4.767 ( 0.000 -1.264 0.000) 1.264 4.858 ( 0.000 -0.425 0.000) 0.425 4.875 ( 0.000 13.380 -0.000) 13.380 4.899 ( 0.000 3.603 0.000) 3.603 5.007 ( 0.000 -4.801 0.000) 4.801 5.095 ( 0.000 -1.953 0.000) 1.953 5.373 ( 0.000 4.584 0.000) 4.584 5.461 ( 0.000 3.685 0.000) 3.685 5.522 ( 0.000 -10.758 0.000) 10.758 5.674 ( 0.000 -8.944 0.000) 8.944 5.756 ( 0.000 9.494 0.000) 9.494 5.924 ( 0.000 -3.390 0.000) 3.390 6.083 ( 0.000 1.257 0.000) 1.257 6.208 ( 0.000 0.670 0.000) 0.670 6.335 ( 0.000 -1.140 -0.000) 1.140 6.410 ( 0.000 1.091 0.000) 1.091 6.483 ( -0.000 -0.225 0.000) 0.225 6.556 ( 0.000 5.961 0.000) 5.961 6.568 ( 0.000 0.681 0.000) 0.681 6.592 ( 0.000 -1.264 -0.000) 1.264 6.668 ( 0.000 -8.523 0.000) 8.523 6.828 ( 0.000 -0.180 0.000) 0.180 6.925 ( 0.000 15.876 0.000) 15.876 7.029 ( 0.000 -5.317 0.000) 5.317 7.085 ( 0.000 -2.559 0.000) 2.559 7.402 ( 0.000 -1.419 0.000) 1.419 7.598 ( -0.000 -6.923 -0.000) 6.923 7.613 ( 0.000 -1.970 0.000) 1.970 7.704 ( 0.000 0.464 0.000) 0.464 7.785 ( 0.000 -1.489 0.000) 1.489 7.934 ( 0.000 0.543 0.000) 0.543 8.135 ( 0.000 -4.555 0.000) 4.555 8.260 ( 0.000 -2.894 -0.000) 2.894 8.275 ( 0.000 -8.377 0.000) 8.377 8.504 ( 0.000 0.375 0.000) 0.375 8.556 ( 0.000 -1.121 0.000) 1.121 8.660 ( 0.000 -3.807 0.000) 3.807 8.704 ( 0.000 -9.091 0.000) 9.091 8.911 ( 0.000 -1.961 0.000) 1.961 8.968 ( 0.000 -1.448 0.000) 1.448 8.975 ( 0.000 6.238 -0.000) 6.238 9.074 ( 0.000 1.924 -0.000) 1.924 9.332 ( 0.000 -4.242 0.000) 4.242 9.342 ( 0.000 7.885 0.000) 7.885 9.479 ( 0.000 -4.343 -0.000) 4.343 9.483 ( -0.000 11.306 0.000) 11.306 9.647 ( 0.000 -4.474 0.000) 4.474 9.772 ( 0.000 -12.514 0.000) 12.514 10.019 ( 0.000 2.585 0.000) 2.585 10.102 ( -0.000 8.163 -0.000) 8.163 10.108 ( 0.000 4.035 0.000) 4.035 10.231 ( 0.000 -1.000 0.000) 1.000 10.466 ( 0.000 4.318 0.000) 4.318 10.542 ( 0.000 -0.468 0.000) 0.468 10.601 ( 0.000 7.052 0.000) 7.052 10.609 ( 0.000 10.170 0.000) 10.170 10.685 ( 0.000 -1.047 0.000) 1.047 10.853 ( 0.000 6.493 0.000) 6.493 10.901 ( 0.000 4.943 0.000) 4.943 11.075 ( 0.000 8.526 0.000) 8.526 11.103 ( 0.000 2.150 0.000) 2.150 11.175 ( 0.000 3.439 0.000) 3.439 11.369 ( 0.000 4.149 0.000) 4.149 11.540 ( 0.000 0.670 0.000) 0.670 11.661 ( 0.000 5.945 0.000) 5.945 11.723 ( 0.000 0.327 0.000) 0.327 11.881 ( -0.000 -2.460 0.000) 2.460 11.885 ( 0.000 -1.582 -0.000) 1.582 11.973 ( 0.000 -1.646 -0.000) 1.646 12.048 ( 0.000 -0.723 0.000) 0.723 12.124 ( 0.000 -5.766 0.000) 5.766 12.394 ( 0.000 -4.439 0.000) 4.439 12.462 ( 0.000 -2.646 0.000) 2.646 12.534 ( 0.000 -5.825 0.000) 5.825 12.651 ( 0.000 -0.368 0.000) 0.368 12.827 ( 0.000 0.161 0.000) 0.161 13.044 ( 0.000 -3.736 0.000) 3.736 13.222 ( 0.000 -1.483 0.000) 1.483 13.527 ( 0.000 -15.366 0.000) 15.366 13.727 ( 0.000 -10.244 0.000) 10.244 16.091 ( 0.000 14.068 0.000) 14.068 16.258 ( 0.000 19.296 0.000) 19.296 16.598 ( 0.000 -1.278 0.000) 1.278 16.942 ( 0.000 16.070 0.000) 16.070 17.463 ( 0.000 -9.110 0.000) 9.110 17.522 ( 0.000 -11.656 0.000) 11.656 17.695 ( 0.000 -4.456 0.000) 4.456 17.834 ( 0.000 8.174 -0.000) 8.174 18.002 ( 0.000 5.211 0.000) 5.211 18.174 ( 0.000 -7.725 0.000) 7.725 18.360 ( 0.000 2.020 -0.000) 2.020 18.496 ( -0.000 -0.181 0.000) 0.181 18.539 ( 0.000 7.335 -0.000) 7.335 18.684 ( 0.000 9.341 0.000) 9.341 18.710 ( 0.000 -0.761 0.000) 0.761 18.947 ( 0.000 -4.164 0.000) 4.164 18.996 ( -0.000 -0.376 -0.000) 0.376 19.229 ( 0.000 4.611 0.000) 4.611 20.182 ( 0.000 -7.444 0.000) 7.444 20.399 ( 0.000 -10.333 0.000) 10.333 20.505 ( 0.000 -10.033 0.000) 10.033 20.697 ( 0.000 -2.569 0.000) 2.569 20.767 ( 0.000 -10.093 -0.000) 10.093 20.812 ( 0.000 0.847 0.000) 0.847 20.992 ( 0.000 -7.264 0.000) 7.264 21.071 ( -0.000 3.366 0.000) 3.366 21.124 ( 0.000 -1.989 -0.000) 1.989 21.197 ( 0.000 1.049 0.000) 1.049 21.372 ( 0.000 5.310 0.000) 5.310 21.762 ( 0.000 -7.109 0.000) 7.109 21.845 ( 0.000 20.038 0.000) 20.038 21.920 ( 0.000 29.070 0.000) 29.070 22.284 ( 0.000 1.347 0.000) 1.347 22.303 ( 0.000 -10.508 0.000) 10.508 23.195 ( 0.000 -1.760 0.000) 1.760 23.226 ( 0.000 -1.618 0.000) 1.618 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 0.000 25.326 0.000) 25.326 1.014 ( 0.000 24.767 0.000) 24.767 1.137 ( 0.000 19.575 0.000) 19.575 1.824 ( 0.000 15.952 0.000) 15.952 1.848 ( 0.000 10.692 0.000) 10.692 1.929 ( 0.000 5.607 0.000) 5.607 2.041 ( 0.000 -1.033 0.000) 1.033 2.136 ( 0.000 4.369 0.000) 4.369 2.239 ( 0.000 6.743 0.000) 6.743 2.258 ( 0.000 -0.291 0.000) 0.291 2.303 ( 0.000 6.427 0.000) 6.427 2.325 ( 0.000 -5.427 0.000) 5.427 2.428 ( 0.000 2.316 0.000) 2.316 2.437 ( 0.000 0.695 0.000) 0.695 2.510 ( 0.000 -0.070 0.000) 0.070 2.524 ( 0.000 -3.935 0.000) 3.935 2.555 ( 0.000 -1.817 0.000) 1.817 2.600 ( 0.000 4.059 0.000) 4.059 2.749 ( 0.000 -0.079 0.000) 0.079 2.787 ( 0.000 -3.744 0.000) 3.744 2.813 ( 0.000 6.459 0.000) 6.459 2.819 ( 0.000 -4.867 0.000) 4.867 2.848 ( 0.000 -2.887 0.000) 2.887 2.943 ( 0.000 -8.449 0.000) 8.449 3.011 ( 0.000 0.294 0.000) 0.294 3.079 ( 0.000 -2.288 0.000) 2.288 3.090 ( 0.000 -5.988 0.000) 5.988 3.189 ( 0.000 5.209 0.000) 5.209 3.307 ( 0.000 2.250 0.000) 2.250 3.324 ( 0.000 5.236 0.000) 5.236 3.335 ( 0.000 -5.900 0.000) 5.900 3.414 ( 0.000 2.595 0.000) 2.595 3.492 ( 0.000 11.135 0.000) 11.135 3.580 ( 0.000 -2.373 0.000) 2.373 3.647 ( 0.000 1.241 0.000) 1.241 3.747 ( 0.000 8.778 0.000) 8.778 3.757 ( 0.000 6.689 0.000) 6.689 3.888 ( 0.000 1.068 0.000) 1.068 4.008 ( 0.000 11.541 0.000) 11.541 4.009 ( 0.000 2.612 0.000) 2.612 4.045 ( 0.000 11.878 0.000) 11.878 4.163 ( 0.000 6.895 0.000) 6.895 4.166 ( 0.000 6.722 0.000) 6.722 4.308 ( 0.000 2.829 0.000) 2.829 4.409 ( 0.000 8.469 0.000) 8.469 4.427 ( 0.000 9.266 0.000) 9.266 4.509 ( 0.000 3.633 0.000) 3.633 4.524 ( 0.000 10.300 0.000) 10.300 4.558 ( 0.000 7.165 0.000) 7.165 4.635 ( 0.000 3.407 0.000) 3.407 4.715 ( 0.000 -0.284 0.000) 0.284 4.747 ( 0.000 0.947 0.000) 0.947 4.779 ( 0.000 4.615 0.000) 4.615 4.886 ( 0.000 -1.336 0.000) 1.336 4.998 ( 0.000 3.797 0.000) 3.797 5.017 ( 0.000 2.490 0.000) 2.490 5.078 ( 0.000 0.277 0.000) 0.277 5.227 ( 0.000 8.482 0.000) 8.482 5.265 ( 0.000 6.365 0.000) 6.365 5.477 ( 0.000 -9.228 0.000) 9.228 5.521 ( 0.000 -10.789 0.000) 10.789 5.524 ( 0.000 1.923 0.000) 1.923 5.664 ( 0.000 7.142 0.000) 7.142 5.818 ( 0.000 13.554 0.000) 13.554 5.864 ( 0.000 -7.686 0.000) 7.686 6.077 ( 0.000 12.438 0.000) 12.438 6.117 ( 0.000 -4.297 0.000) 4.297 6.327 ( 0.000 10.757 0.000) 10.757 6.344 ( 0.000 -7.660 0.000) 7.660 6.499 ( 0.000 -3.199 0.000) 3.199 6.591 ( 0.000 -11.588 0.000) 11.588 6.732 ( 0.000 1.347 0.000) 1.347 6.848 ( 0.000 -0.633 0.000) 0.633 6.933 ( 0.000 -7.032 0.000) 7.032 6.964 ( 0.000 -3.678 0.000) 3.678 7.100 ( 0.000 4.928 0.000) 4.928 7.174 ( 0.000 1.533 0.000) 1.533 7.189 ( 0.000 14.066 0.000) 14.066 7.558 ( 0.000 -4.197 0.000) 4.197 7.609 ( 0.000 -9.005 0.000) 9.005 7.681 ( 0.000 1.601 0.000) 1.601 7.773 ( 0.000 4.854 0.000) 4.854 7.957 ( 0.000 0.303 0.000) 0.303 8.023 ( 0.000 -7.545 0.000) 7.545 8.172 ( 0.000 -1.292 0.000) 1.292 8.258 ( 0.000 -11.950 0.000) 11.950 8.372 ( 0.000 -11.223 0.000) 11.223 8.390 ( 0.000 -6.676 0.000) 6.676 8.544 ( 0.000 -7.035 0.000) 7.035 8.602 ( 0.000 -8.632 0.000) 8.632 8.673 ( 0.000 -2.900 0.000) 2.900 8.897 ( 0.000 1.858 0.000) 1.858 8.943 ( 0.000 -4.706 0.000) 4.706 9.049 ( 0.000 3.562 0.000) 3.562 9.250 ( 0.000 -10.628 0.000) 10.628 9.373 ( 0.000 -7.527 0.000) 7.527 9.561 ( 0.000 8.520 0.000) 8.520 9.811 ( 0.000 -0.275 0.000) 0.275 9.826 ( 0.000 5.782 0.000) 5.782 9.940 ( 0.000 1.020 0.000) 1.020 10.033 ( 0.000 7.644 0.000) 7.644 10.072 ( 0.000 3.769 0.000) 3.769 10.199 ( 0.000 2.372 0.000) 2.372 10.297 ( 0.000 -0.721 0.000) 0.721 10.519 ( 0.000 3.396 0.000) 3.396 10.552 ( 0.000 5.201 0.000) 5.201 10.651 ( 0.000 4.681 0.000) 4.681 10.741 ( 0.000 11.480 0.000) 11.480 10.826 ( 0.000 5.199 0.000) 5.199 10.957 ( 0.000 21.092 0.000) 21.092 11.084 ( 0.000 4.954 0.000) 4.954 11.165 ( 0.000 1.253 0.000) 1.253 11.220 ( 0.000 1.740 0.000) 1.740 11.289 ( 0.000 -4.617 0.000) 4.617 11.582 ( 0.000 -2.989 0.000) 2.989 11.639 ( 0.000 -0.805 0.000) 0.805 11.703 ( 0.000 -2.374 0.000) 2.374 11.793 ( 0.000 -5.332 0.000) 5.332 11.823 ( 0.000 -7.496 0.000) 7.496 11.830 ( 0.000 3.097 0.000) 3.097 11.901 ( 0.000 -3.106 0.000) 3.106 11.920 ( 0.000 3.200 0.000) 3.200 12.052 ( 0.000 -0.275 0.000) 0.275 12.269 ( 0.000 -0.163 0.000) 0.163 12.476 ( 0.000 -4.296 0.000) 4.296 12.571 ( 0.000 3.360 0.000) 3.360 12.689 ( 0.000 -10.106 0.000) 10.106 12.694 ( 0.000 2.498 0.000) 2.498 13.050 ( 0.000 -4.364 0.000) 4.364 13.211 ( 0.000 -4.622 0.000) 4.622 13.223 ( 0.000 -15.139 0.000) 15.139 13.400 ( 0.000 -14.155 0.000) 14.155 16.313 ( 0.000 8.506 0.000) 8.506 16.601 ( 0.000 1.066 0.000) 1.066 16.925 ( 0.000 1.911 0.000) 1.911 17.100 ( 0.000 -8.958 0.000) 8.958 17.407 ( 0.000 7.108 0.000) 7.108 17.573 ( 0.000 -2.717 0.000) 2.717 17.772 ( 0.000 3.513 0.000) 3.513 17.850 ( 0.000 -3.318 0.000) 3.318 18.064 ( 0.000 3.254 0.000) 3.254 18.150 ( 0.000 -2.302 0.000) 2.302 18.305 ( 0.000 8.030 0.000) 8.030 18.437 ( 0.000 -3.104 0.000) 3.104 18.714 ( 0.000 -3.856 0.000) 3.856 18.965 ( 0.000 4.169 0.000) 4.169 18.988 ( 0.000 -2.145 0.000) 2.145 19.325 ( 0.000 7.275 0.000) 7.275 19.479 ( 0.000 -9.192 0.000) 9.192 19.824 ( 0.000 12.733 0.000) 12.733 19.957 ( 0.000 -13.562 0.000) 13.562 20.053 ( 0.000 -2.132 0.000) 2.132 20.342 ( 0.000 -1.032 0.000) 1.032 20.366 ( 0.000 -0.380 0.000) 0.380 20.376 ( 0.000 1.846 0.000) 1.846 20.668 ( 0.000 -0.882 0.000) 0.882 20.724 ( 0.000 -9.305 0.000) 9.305 20.739 ( 0.000 -1.465 0.000) 1.465 20.965 ( 0.000 -1.213 0.000) 1.213 21.099 ( 0.000 -6.593 0.000) 6.593 21.314 ( 0.000 7.477 0.000) 7.477 21.621 ( 0.000 4.631 0.000) 4.631 21.857 ( 0.000 -0.923 0.000) 0.923 22.366 ( 0.000 -9.398 0.000) 9.398 22.430 ( 0.000 19.701 0.000) 19.701 22.781 ( 0.000 12.137 0.000) 12.137 23.113 ( 0.000 -5.132 0.000) 5.132 23.210 ( 0.000 -2.395 0.000) 2.395 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -0.351 23.218 3.611) 23.500 1.114 ( 7.279 19.223 12.342) 23.975 1.226 ( 5.533 14.219 7.681) 17.082 1.788 ( -2.542 4.200 -2.999) 5.753 1.918 ( -0.726 6.337 1.345) 6.518 1.967 ( 8.196 18.049 2.576) 19.989 2.043 ( -5.350 -3.862 -1.189) 6.704 2.109 ( -2.453 3.607 -1.315) 4.556 2.162 ( -3.882 1.850 0.688) 4.355 2.218 ( 0.473 4.021 -0.609) 4.094 2.282 ( -1.801 5.032 -3.303) 6.283 2.364 ( -4.376 -0.186 -0.768) 4.447 2.406 ( -3.335 2.970 3.676) 5.784 2.424 ( -3.269 2.191 0.573) 3.977 2.445 ( -2.810 -2.901 0.853) 4.128 2.508 ( 2.047 1.873 -2.022) 3.434 2.530 ( -0.601 -2.167 -0.061) 2.249 2.602 ( -0.591 3.145 -0.078) 3.201 2.651 ( -5.749 -0.996 -1.649) 6.064 2.743 ( -1.118 5.455 -4.288) 7.028 2.746 ( -2.937 -5.404 -3.317) 6.988 2.787 ( -5.211 -1.181 -1.407) 5.525 2.841 ( -0.401 -2.663 -0.067) 2.694 2.970 ( 1.543 -5.017 -0.124) 5.250 2.995 ( -3.222 0.654 1.152) 3.484 3.066 ( 2.096 3.776 4.521) 6.252 3.140 ( 3.333 -4.764 -1.362) 5.972 3.203 ( -5.311 -3.436 -1.151) 6.429 3.267 ( 4.670 -2.842 -5.546) 7.788 3.342 ( -1.747 8.725 3.457) 9.546 3.373 ( 1.123 2.381 6.838) 7.327 3.386 ( -1.539 3.152 -0.324) 3.522 3.495 ( 2.871 5.978 -0.842) 6.685 3.555 ( -2.571 -0.803 1.226) 2.960 3.697 ( 3.560 7.407 -3.314) 8.861 3.752 ( 0.897 12.051 2.021) 12.252 3.780 ( -5.307 0.621 2.026) 5.715 3.901 ( 2.357 6.731 1.572) 7.302 4.001 ( 0.518 2.485 -2.354) 3.462 4.013 ( -0.029 7.003 -0.751) 7.043 4.079 ( 4.617 10.611 3.040) 11.964 4.144 ( -2.255 4.910 0.892) 5.476 4.166 ( -0.374 5.383 -4.934) 7.312 4.241 ( 1.541 12.985 1.040) 13.117 4.383 ( -2.924 2.489 0.552) 3.880 4.464 ( -0.023 3.932 -2.593) 4.710 4.503 ( -2.837 1.608 -1.977) 3.813 4.515 ( -3.806 12.388 -4.530) 13.729 4.570 ( -1.052 10.391 1.524) 10.554 4.604 ( 1.777 5.365 1.513) 5.850 4.711 ( 3.172 1.496 2.842) 4.514 4.749 ( 0.999 1.254 -1.879) 2.470 4.811 ( -3.298 -0.536 5.737) 6.639 4.837 ( 0.188 6.773 -6.530) 9.410 4.985 ( 0.172 -0.628 -1.956) 2.062 5.010 ( -2.304 0.388 -1.854) 2.983 5.078 ( 1.994 0.361 -3.044) 3.657 5.195 ( -1.021 5.112 -2.261) 5.682 5.256 ( 1.173 3.639 -1.591) 4.141 5.367 ( -2.383 -7.078 -6.109) 9.648 5.508 ( 1.530 -0.292 -2.185) 2.683 5.585 ( 1.560 -0.810 -1.580) 2.364 5.716 ( -1.053 1.864 4.890) 5.338 5.820 ( 0.535 5.081 11.104) 12.223 5.989 ( 5.272 -3.768 2.795) 7.057 6.086 ( 2.884 10.552 -1.469) 11.037 6.180 ( 6.198 0.725 1.796) 6.493 6.300 ( -2.590 2.294 0.309) 3.473 6.372 ( 3.414 -1.438 -1.768) 4.104 6.510 ( 0.610 -1.440 0.864) 1.787 6.577 ( -1.574 -11.397 0.170) 11.507 6.655 ( -3.781 3.234 -1.392) 5.166 6.852 ( -2.363 -4.518 0.655) 5.141 6.889 ( -5.453 -4.187 -0.263) 6.881 6.950 ( 1.072 -3.191 -2.469) 4.174 7.106 ( 3.484 7.231 -4.543) 9.223 7.185 ( 2.146 4.101 -1.144) 4.768 7.277 ( 2.033 5.552 8.965) 10.739 7.569 ( -0.200 -4.439 1.514) 4.694 7.624 ( -0.305 -8.542 1.658) 8.706 7.657 ( -3.346 4.790 -2.353) 6.299 7.715 ( -1.296 1.999 -0.522) 2.439 7.962 ( -0.389 0.642 1.205) 1.419 8.039 ( -1.696 -4.562 4.603) 6.699 8.147 ( 0.059 -4.521 -4.312) 6.248 8.241 ( -0.213 -9.604 -1.950) 9.802 8.383 ( 1.589 -9.247 0.266) 9.386 8.422 ( 0.415 -8.646 0.445) 8.668 8.522 ( -1.293 -6.159 2.209) 6.670 8.624 ( 1.095 -7.117 4.159) 8.315 8.759 ( 0.778 -3.326 3.596) 4.960 8.822 ( -1.968 -1.402 0.930) 2.589 8.997 ( 2.926 -1.492 -0.374) 3.305 9.053 ( -1.024 2.720 2.388) 3.762 9.249 ( 0.520 -10.982 -1.097) 11.049 9.348 ( -2.677 -7.420 0.213) 7.891 9.548 ( 0.175 8.305 -2.259) 8.608 9.764 ( -0.063 1.330 -6.685) 6.816 9.776 ( -3.077 1.406 -4.083) 5.303 9.890 ( -2.919 2.930 -4.486) 6.102 10.024 ( -0.351 6.988 1.891) 7.248 10.073 ( 0.995 8.038 2.854) 8.588 10.263 ( 0.726 1.658 5.947) 6.217 10.394 ( 2.879 -1.175 5.534) 6.348 10.494 ( 0.456 3.766 -0.766) 3.870 10.572 ( 1.224 2.641 -1.649) 3.345 10.603 ( -3.220 10.147 -0.378) 10.653 10.731 ( 0.285 5.967 -0.235) 5.979 10.853 ( 3.019 9.251 -4.676) 10.797 11.013 ( 3.685 17.717 3.507) 18.433 11.029 ( -3.403 4.141 -0.806) 5.420 11.135 ( -2.483 1.205 -2.522) 3.739 11.211 ( -2.787 1.853 -2.656) 4.273 11.256 ( -0.215 0.380 1.229) 1.304 11.548 ( -1.919 -1.085 -2.828) 3.586 11.641 ( 0.607 -1.235 -0.123) 1.382 11.712 ( -1.109 -0.804 -2.311) 2.686 11.758 ( 1.572 -1.381 -1.367) 2.500 11.785 ( 1.326 -0.281 -4.020) 4.242 11.845 ( 0.219 -3.117 0.011) 3.125 11.908 ( 3.518 -5.782 -2.431) 7.192 12.000 ( 0.338 1.376 5.362) 5.546 12.028 ( -1.419 -0.124 1.074) 1.784 12.263 ( -3.535 -2.401 3.789) 5.711 12.465 ( -0.870 -3.763 -0.285) 3.873 12.549 ( -1.978 2.365 -0.298) 3.098 12.683 ( -1.950 1.962 1.543) 3.168 12.700 ( 0.553 -9.496 0.443) 9.523 13.021 ( -3.036 -4.950 0.433) 5.823 13.170 ( -2.540 -4.658 1.143) 5.427 13.248 ( 1.883 -12.051 -1.265) 12.263 13.414 ( 0.764 -14.980 0.835) 15.023 16.337 ( 1.867 9.230 1.258) 9.500 16.597 ( 0.521 0.801 -1.969) 2.189 16.832 ( -7.250 5.961 -3.513) 10.022 17.085 ( 1.412 -6.380 -3.181) 7.267 17.413 ( -2.573 4.193 4.097) 6.402 17.578 ( -0.969 0.831 -0.118) 1.282 17.733 ( 1.170 2.652 -4.451) 5.311 17.900 ( 1.929 -2.846 2.668) 4.352 18.084 ( -3.313 7.996 -3.031) 9.171 18.110 ( -7.602 6.012 -2.570) 10.027 18.199 ( 2.573 -1.639 1.309) 3.320 18.489 ( 1.905 -0.305 6.731) 7.002 18.550 ( -8.637 1.387 -1.127) 8.820 18.874 ( -4.573 3.892 -0.976) 6.084 18.969 ( -1.527 4.863 0.334) 5.108 19.294 ( -13.180 -0.885 2.097) 13.375 19.359 ( -7.942 1.633 -3.802) 8.956 19.625 ( -14.260 3.525 -3.107) 15.014 19.978 ( 0.399 -17.609 0.890) 17.636 20.016 ( -2.574 -8.700 2.772) 9.487 20.357 ( 1.914 0.788 0.029) 2.070 20.395 ( 9.823 3.478 -1.041) 10.472 20.558 ( 7.199 -1.029 3.916) 8.259 20.742 ( 3.433 -0.249 -1.645) 3.815 20.831 ( 9.086 -4.077 0.643) 9.980 20.902 ( 16.673 -3.734 -1.648) 17.165 20.963 ( 0.454 -2.579 0.189) 2.626 21.128 ( 8.235 -5.310 -6.897) 11.982 21.328 ( -1.840 6.248 3.369) 7.333 21.630 ( -0.217 5.325 -0.226) 5.334 21.873 ( -0.088 -5.537 5.073) 7.510 22.304 ( -3.940 -5.676 -3.524) 7.756 22.450 ( 0.587 16.099 1.361) 16.167 22.670 ( -6.772 16.820 -4.835) 18.766 23.121 ( 0.107 -5.083 0.768) 5.142 23.200 ( -0.628 -2.866 -0.548) 2.985 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 6.888 12.291 5.341) 15.068 1.425 ( 8.887 10.209 12.007) 18.094 1.436 ( 7.417 7.142 4.575) 11.267 1.724 ( -3.384 8.966 2.662) 9.946 1.843 ( -9.712 5.330 -1.049) 11.128 1.913 ( -1.145 8.094 0.209) 8.177 2.017 ( -3.800 -0.085 -0.654) 3.857 2.080 ( -0.889 5.802 -3.677) 6.926 2.115 ( -3.125 3.789 -2.577) 5.546 2.162 ( -1.937 2.931 -3.396) 4.886 2.235 ( -1.700 1.370 1.119) 2.453 2.262 ( -4.358 7.011 -3.205) 8.856 2.332 ( -1.893 -2.281 1.629) 3.382 2.352 ( -3.331 4.312 1.703) 5.708 2.415 ( -4.476 -2.415 4.394) 6.721 2.511 ( -3.385 -3.831 -2.142) 5.543 2.524 ( -1.692 0.499 -4.381) 4.723 2.563 ( -2.217 2.413 -0.453) 3.308 2.597 ( -0.093 3.664 1.123) 3.833 2.649 ( -2.753 2.747 -4.332) 5.822 2.668 ( -1.145 -3.160 -2.680) 4.299 2.783 ( 6.823 1.377 3.327) 7.715 2.862 ( 2.810 -2.599 -1.151) 3.997 2.964 ( -1.632 -2.560 0.855) 3.154 2.996 ( 2.214 2.086 -0.708) 3.123 3.087 ( -3.078 -1.376 -2.108) 3.976 3.145 ( -0.061 4.459 1.517) 4.710 3.191 ( -1.248 -0.612 1.721) 2.212 3.287 ( 3.789 -0.580 -0.787) 3.913 3.333 ( 0.781 3.590 6.560) 7.519 3.400 ( -3.059 5.658 6.536) 9.169 3.496 ( 3.210 4.772 -0.599) 5.782 3.517 ( -0.931 -0.245 0.953) 1.355 3.559 ( 2.631 1.994 -4.720) 5.760 3.608 ( -2.581 2.713 -2.576) 4.546 3.750 ( 2.086 4.461 2.121) 5.362 3.851 ( -6.122 12.821 -0.603) 14.221 3.854 ( 3.464 10.662 4.143) 11.952 3.978 ( -2.770 4.000 1.488) 5.088 4.020 ( -0.839 10.885 -2.421) 11.183 4.098 ( 2.875 8.077 -2.105) 8.828 4.124 ( 1.253 4.382 -2.783) 5.340 4.242 ( 1.330 4.139 3.383) 5.508 4.278 ( -1.762 4.271 -1.612) 4.893 4.314 ( -0.656 10.450 -0.221) 10.473 4.365 ( -2.204 13.463 -4.128) 14.253 4.399 ( -3.812 -2.920 -0.196) 4.806 4.511 ( 2.192 9.021 0.033) 9.284 4.540 ( -2.826 12.349 -1.264) 12.731 4.632 ( 0.087 6.516 -0.459) 6.533 4.707 ( -1.165 0.517 -2.895) 3.163 4.733 ( 2.000 4.000 -1.196) 4.630 4.769 ( -3.592 5.939 1.448) 7.090 4.870 ( 1.239 1.491 -0.440) 1.988 4.933 ( -1.853 -1.320 -2.048) 3.062 4.942 ( -0.444 0.064 -6.265) 6.281 5.015 ( -1.385 -0.823 -4.450) 4.733 5.202 ( 1.085 4.759 1.148) 5.014 5.276 ( 0.829 -4.746 -0.208) 4.822 5.335 ( 2.468 -6.963 1.806) 7.605 5.513 ( 0.912 -0.358 -3.342) 3.482 5.542 ( -0.867 3.609 -1.553) 4.024 5.802 ( 1.782 -3.056 5.363) 6.425 5.963 ( 1.204 -0.654 9.988) 10.082 6.065 ( 1.981 10.766 -0.746) 10.973 6.153 ( 4.548 0.077 -1.576) 4.814 6.296 ( 3.948 0.380 -0.600) 4.011 6.333 ( 4.807 2.670 3.634) 6.592 6.398 ( 0.517 -9.093 0.798) 9.143 6.523 ( 0.493 -0.249 -2.119) 2.190 6.543 ( -1.908 -5.716 -0.074) 6.027 6.608 ( -2.232 3.350 2.546) 4.763 6.757 ( -5.602 -0.477 -2.776) 6.270 6.805 ( -3.024 -5.640 0.722) 6.440 6.943 ( 0.234 -2.857 -0.652) 2.940 7.109 ( 1.849 6.394 -3.727) 7.628 7.229 ( 4.379 6.687 -1.032) 8.060 7.403 ( 0.760 -1.292 6.892) 7.053 7.487 ( -5.116 5.449 -6.063) 9.624 7.573 ( -1.426 -5.516 0.544) 5.724 7.676 ( 0.769 -6.104 3.399) 7.029 7.731 ( 0.906 3.188 0.760) 3.400 7.961 ( -1.487 1.714 1.766) 2.875 8.063 ( -1.556 -4.253 4.133) 6.131 8.087 ( -0.576 -8.524 -3.943) 9.410 8.210 ( -0.038 -4.924 -3.150) 5.846 8.416 ( 0.226 -6.377 0.681) 6.417 8.433 ( 2.055 -10.423 0.935) 10.665 8.540 ( -0.789 -8.251 2.567) 8.677 8.645 ( -2.508 1.461 -1.503) 3.269 8.769 ( 1.055 -6.640 4.847) 8.288 8.906 ( 2.562 -2.139 4.243) 5.399 9.034 ( 1.855 -1.218 -1.734) 2.817 9.064 ( -1.469 0.146 4.395) 4.636 9.241 ( -0.116 -9.473 -1.152) 9.543 9.301 ( -2.170 -8.199 0.399) 8.491 9.527 ( 0.638 8.503 -2.120) 8.786 9.664 ( -1.334 1.057 -4.792) 5.085 9.689 ( -1.648 3.030 -4.097) 5.356 9.779 ( -3.719 4.231 -4.252) 7.058 10.074 ( 1.735 7.089 2.955) 7.873 10.138 ( 3.255 7.299 2.063) 8.254 10.297 ( -2.430 3.328 2.351) 4.744 10.391 ( -5.947 4.481 1.147) 7.534 10.535 ( 2.371 3.157 -0.228) 3.955 10.573 ( 1.132 8.054 1.302) 8.237 10.637 ( 4.022 1.771 2.259) 4.941 10.719 ( -0.395 5.559 -3.236) 6.444 10.799 ( -1.253 9.250 -3.896) 10.115 10.988 ( -0.884 4.449 0.219) 4.541 11.040 ( -1.950 4.611 -2.353) 5.532 11.144 ( 1.591 3.062 -3.683) 5.047 11.160 ( 2.918 9.630 4.348) 10.962 11.248 ( -2.043 2.384 1.314) 3.404 11.487 ( -0.879 1.759 -2.226) 2.970 11.624 ( -3.807 2.379 -1.127) 4.628 11.674 ( 2.955 -2.328 -1.914) 4.221 11.760 ( -0.040 -3.129 -2.536) 4.028 11.818 ( 3.472 1.387 0.278) 3.750 11.849 ( 0.456 -2.284 -0.154) 2.334 11.936 ( 2.415 -7.077 -2.490) 7.881 11.987 ( -1.799 -0.288 -0.482) 1.884 12.069 ( -1.457 2.001 4.964) 5.547 12.243 ( -1.852 -5.732 2.716) 6.608 12.450 ( -1.173 -2.603 1.291) 3.134 12.504 ( -1.376 0.928 -1.823) 2.466 12.660 ( -1.335 2.029 0.257) 2.442 12.713 ( -0.776 -11.159 1.879) 11.342 12.974 ( -2.176 -4.961 0.308) 5.427 13.165 ( -0.360 -3.238 1.911) 3.777 13.256 ( 0.534 -10.816 -1.065) 10.882 13.438 ( 0.773 -15.995 0.721) 16.030 16.390 ( 1.428 11.227 0.931) 11.356 16.573 ( 1.255 2.572 -3.724) 4.696 16.678 ( -5.584 11.140 -0.101) 12.462 17.089 ( 1.733 -5.521 -1.602) 6.004 17.389 ( -4.332 0.027 3.013) 5.277 17.501 ( -4.466 7.023 -2.308) 8.636 17.709 ( -1.612 2.584 -3.782) 4.855 17.891 ( 3.615 7.111 -1.212) 8.069 18.009 ( 0.707 1.669 3.834) 4.241 18.108 ( -2.390 -2.401 0.895) 3.504 18.309 ( 6.202 -1.505 2.640) 6.907 18.457 ( -2.072 0.023 0.322) 2.097 18.637 ( 3.049 0.766 8.389) 8.959 18.783 ( -3.290 10.122 0.728) 10.668 18.929 ( -4.437 -0.552 -5.046) 6.742 19.017 ( -9.079 8.878 -3.848) 13.269 19.166 ( -8.155 3.567 -4.831) 10.127 19.367 ( -11.647 0.811 2.875) 12.024 19.954 ( -1.342 -17.194 -1.147) 17.284 20.015 ( -1.885 -20.896 1.252) 21.018 20.447 ( 5.573 3.673 0.975) 6.746 20.556 ( 9.004 1.695 -2.778) 9.574 20.666 ( -0.097 -2.038 3.131) 3.737 20.785 ( 3.321 -0.061 -1.470) 3.632 20.898 ( 3.025 -3.505 -1.785) 4.962 21.004 ( 5.623 0.158 -1.138) 5.739 21.161 ( 5.208 -3.847 -5.975) 8.810 21.288 ( 6.292 3.624 2.415) 7.652 21.330 ( 6.800 -2.158 7.794) 10.566 21.569 ( -4.440 7.129 -1.590) 8.547 21.976 ( 3.639 -12.005 4.496) 13.326 22.152 ( -7.323 -5.259 -5.128) 10.372 22.471 ( 0.341 16.380 0.844) 16.405 22.510 ( -4.991 21.514 -2.973) 22.285 23.130 ( 0.082 -4.866 0.470) 4.889 23.181 ( -0.585 -3.737 -0.489) 3.814 ======================= Grid point 17 (12/64) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.000 1.995 0.000) 1.995 1.520 ( 0.000 4.774 0.000) 4.774 1.536 ( 0.000 9.256 0.000) 9.256 1.766 ( 0.000 10.524 0.000) 10.524 1.850 ( 0.000 6.978 0.000) 6.978 1.870 ( 0.000 2.242 0.000) 2.242 1.891 ( 0.000 3.272 0.000) 3.272 1.983 ( 0.000 4.883 0.000) 4.883 2.046 ( 0.000 10.132 0.000) 10.132 2.133 ( 0.000 5.519 0.000) 5.519 2.216 ( 0.000 6.003 0.000) 6.003 2.290 ( 0.000 0.591 0.000) 0.591 2.297 ( 0.000 5.941 -0.000) 5.941 2.343 ( 0.000 -5.431 0.000) 5.431 2.374 ( 0.000 -2.483 -0.000) 2.483 2.453 ( 0.000 -2.447 0.000) 2.447 2.470 ( 0.000 2.736 -0.000) 2.736 2.544 ( -0.000 2.326 0.000) 2.326 2.557 ( 0.000 1.816 0.000) 1.816 2.612 ( 0.000 0.054 0.000) 0.054 2.673 ( 0.000 1.031 0.000) 1.031 2.878 ( -0.000 -4.286 0.000) 4.286 2.925 ( 0.000 -6.757 -0.000) 6.757 2.961 ( 0.000 4.211 0.000) 4.211 2.968 ( 0.000 -2.141 -0.000) 2.141 3.083 ( 0.000 1.415 0.000) 1.415 3.122 ( 0.000 6.796 -0.000) 6.796 3.160 ( 0.000 -6.239 0.000) 6.239 3.375 ( 0.000 8.374 0.000) 8.374 3.405 ( 0.000 1.841 -0.000) 1.841 3.433 ( 0.000 -6.291 -0.000) 6.291 3.439 ( -0.000 3.797 0.000) 3.797 3.494 ( 0.000 6.262 -0.000) 6.262 3.540 ( 0.000 1.550 0.000) 1.550 3.637 ( -0.000 7.100 0.000) 7.100 3.764 ( 0.000 11.155 0.000) 11.155 3.838 ( 0.000 5.076 -0.000) 5.076 3.905 ( 0.000 6.890 0.000) 6.890 3.928 ( 0.000 2.799 0.000) 2.799 4.014 ( 0.000 21.602 0.000) 21.602 4.125 ( 0.000 8.463 0.000) 8.463 4.132 ( -0.000 5.886 -0.000) 5.886 4.171 ( 0.000 8.014 0.000) 8.014 4.238 ( 0.000 4.646 -0.000) 4.646 4.304 ( 0.000 -6.375 0.000) 6.375 4.357 ( 0.000 8.694 0.000) 8.694 4.397 ( 0.000 11.795 -0.000) 11.795 4.462 ( 0.000 15.358 0.000) 15.358 4.575 ( 0.000 5.404 -0.000) 5.404 4.614 ( 0.000 6.967 0.000) 6.967 4.664 ( 0.000 5.972 0.000) 5.972 4.756 ( -0.000 8.901 0.000) 8.901 4.767 ( 0.000 1.410 -0.000) 1.410 4.841 ( 0.000 -4.843 0.000) 4.843 4.886 ( 0.000 4.977 0.000) 4.977 4.901 ( 0.000 -3.083 0.000) 3.083 4.991 ( 0.000 0.040 0.000) 0.040 5.219 ( 0.000 9.563 -0.000) 9.563 5.281 ( 0.000 -12.733 0.000) 12.733 5.418 ( -0.000 2.196 -0.000) 2.196 5.453 ( 0.000 -12.273 0.000) 12.273 5.544 ( 0.000 4.939 0.000) 4.939 5.856 ( 0.000 -4.269 0.000) 4.269 6.050 ( 0.000 -4.812 -0.000) 4.812 6.057 ( 0.000 17.037 0.000) 17.037 6.195 ( 0.000 -0.927 0.000) 0.927 6.343 ( 0.000 2.646 -0.000) 2.646 6.385 ( -0.000 -13.832 0.000) 13.832 6.461 ( -0.000 -7.260 -0.000) 7.260 6.471 ( 0.000 3.598 0.000) 3.598 6.521 ( 0.000 -1.936 0.000) 1.936 6.602 ( 0.000 0.553 0.000) 0.553 6.687 ( 0.000 6.662 0.000) 6.662 6.781 ( 0.000 -4.268 0.000) 4.268 6.944 ( 0.000 -2.919 0.000) 2.919 7.100 ( 0.000 4.693 0.000) 4.693 7.320 ( 0.000 21.323 0.000) 21.323 7.331 ( -0.000 -6.040 0.000) 6.040 7.468 ( 0.000 -7.364 0.000) 7.364 7.557 ( 0.000 -3.110 -0.000) 3.110 7.709 ( 0.000 -6.350 -0.000) 6.350 7.742 ( 0.000 4.567 0.000) 4.567 7.958 ( 0.000 1.862 0.000) 1.862 8.042 ( 0.000 -6.449 0.000) 6.449 8.086 ( 0.000 -8.493 -0.000) 8.493 8.186 ( 0.000 -2.701 0.000) 2.701 8.427 ( 0.000 -5.382 0.000) 5.382 8.467 ( 0.000 -14.006 0.000) 14.006 8.545 ( 0.000 -6.586 0.000) 6.586 8.600 ( 0.000 4.752 0.000) 4.752 8.817 ( 0.000 -7.803 0.000) 7.803 8.967 ( 0.000 1.226 0.000) 1.226 9.022 ( 0.000 -4.918 0.000) 4.918 9.087 ( 0.000 -0.660 -0.000) 0.660 9.228 ( 0.000 -6.505 0.000) 6.505 9.288 ( 0.000 -9.983 0.000) 9.983 9.526 ( 0.000 9.872 0.000) 9.872 9.639 ( -0.000 4.133 0.000) 4.133 9.642 ( 0.000 2.012 -0.000) 2.012 9.698 ( 0.000 3.096 0.000) 3.096 10.115 ( 0.000 6.689 0.000) 6.689 10.206 ( 0.000 5.274 0.000) 5.274 10.274 ( 0.000 4.627 0.000) 4.627 10.314 ( 0.000 8.524 0.000) 8.524 10.537 ( 0.000 4.590 0.000) 4.590 10.648 ( 0.000 13.135 0.000) 13.135 10.659 ( 0.000 1.599 0.000) 1.599 10.679 ( 0.000 0.225 0.000) 0.225 10.785 ( 0.000 5.250 -0.000) 5.250 10.980 ( 0.000 3.499 0.000) 3.499 11.015 ( 0.000 8.672 0.000) 8.672 11.109 ( 0.000 -3.196 -0.000) 3.196 11.221 ( 0.000 2.854 0.000) 2.854 11.265 ( 0.000 10.319 0.000) 10.319 11.467 ( 0.000 3.423 0.000) 3.423 11.566 ( 0.000 2.047 0.000) 2.047 11.716 ( -0.000 -4.829 0.000) 4.829 11.721 ( 0.000 -1.035 0.000) 1.035 11.840 ( 0.000 -2.532 0.000) 2.532 11.879 ( 0.000 3.478 0.000) 3.478 11.944 ( 0.000 -1.022 0.000) 1.022 11.949 ( -0.000 -7.212 0.000) 7.212 12.082 ( 0.000 2.513 0.000) 2.513 12.249 ( 0.000 -7.182 0.000) 7.182 12.451 ( 0.000 -1.319 -0.000) 1.319 12.474 ( 0.000 -0.057 0.000) 0.057 12.650 ( 0.000 1.189 -0.000) 1.189 12.715 ( 0.000 -11.873 0.000) 11.873 12.956 ( 0.000 -4.691 0.000) 4.691 13.178 ( 0.000 -2.772 0.000) 2.772 13.252 ( 0.000 -10.537 0.000) 10.537 13.451 ( 0.000 -16.321 0.000) 16.321 16.397 ( 0.000 13.449 0.000) 13.449 16.584 ( 0.000 -0.834 0.000) 0.834 16.623 ( -0.000 15.161 0.000) 15.161 17.098 ( 0.000 -5.371 0.000) 5.371 17.360 ( 0.000 -2.827 0.000) 2.827 17.436 ( 0.000 9.576 0.000) 9.576 17.664 ( 0.000 3.286 0.000) 3.286 17.969 ( -0.000 4.680 -0.000) 4.680 18.049 ( 0.000 -3.595 -0.000) 3.595 18.057 ( 0.000 1.320 0.000) 1.320 18.424 ( -0.000 -6.271 -0.000) 6.271 18.435 ( 0.000 3.099 0.000) 3.099 18.688 ( 0.000 4.946 0.000) 4.946 18.756 ( 0.000 4.390 0.000) 4.390 18.870 ( 0.000 10.005 -0.000) 10.005 18.940 ( 0.000 6.771 0.000) 6.771 18.991 ( 0.000 0.795 0.000) 0.795 19.299 ( 0.000 2.181 0.000) 2.181 19.932 ( 0.000 -16.970 0.000) 16.970 19.998 ( 0.000 -22.637 0.000) 22.637 20.512 ( 0.000 2.743 0.000) 2.743 20.646 ( -0.000 -2.614 0.000) 2.614 20.646 ( 0.000 -0.798 -0.000) 0.798 20.815 ( 0.000 -0.679 0.000) 0.679 20.917 ( 0.000 -1.274 0.000) 1.274 21.077 ( -0.000 -2.968 0.000) 2.968 21.152 ( 0.000 2.703 0.000) 2.703 21.284 ( 0.000 8.477 0.000) 8.477 21.497 ( 0.000 6.623 0.000) 6.623 21.579 ( 0.000 -10.532 0.000) 10.532 21.997 ( 0.000 -3.217 0.000) 3.217 22.049 ( 0.000 -14.175 0.000) 14.175 22.445 ( 0.000 23.473 0.000) 23.473 22.480 ( 0.000 16.892 0.000) 16.892 23.133 ( 0.000 -4.740 0.000) 4.740 23.173 ( 0.000 -4.154 0.000) 4.154 ======================= Grid point 21 (13/64) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 20.658 0.000) 20.658 1.479 ( 0.000 22.522 0.000) 22.522 1.605 ( 0.000 25.075 0.000) 25.075 1.701 ( 0.000 -12.143 0.000) 12.143 1.850 ( 0.000 -14.842 0.000) 14.842 2.008 ( 0.000 -11.513 0.000) 11.513 2.059 ( 0.000 7.444 0.000) 7.444 2.205 ( 0.000 -6.058 0.000) 6.058 2.251 ( 0.000 2.856 0.000) 2.856 2.263 ( 0.000 0.156 0.000) 0.156 2.280 ( 0.000 0.168 0.000) 0.168 2.348 ( 0.000 -2.062 0.000) 2.062 2.415 ( 0.000 -1.773 0.000) 1.773 2.438 ( 0.000 -1.689 0.000) 1.689 2.488 ( 0.000 2.251 0.000) 2.251 2.496 ( 0.000 3.503 0.000) 3.503 2.606 ( 0.000 -0.316 0.000) 0.316 2.675 ( 0.000 1.427 0.000) 1.427 2.676 ( 0.000 -4.308 0.000) 4.308 2.724 ( 0.000 -0.153 0.000) 0.153 2.799 ( 0.000 4.198 0.000) 4.198 2.845 ( 0.000 3.689 0.000) 3.689 2.903 ( 0.000 -1.148 0.000) 1.148 2.920 ( 0.000 -2.554 0.000) 2.554 2.934 ( 0.000 1.692 0.000) 1.692 3.084 ( 0.000 4.183 0.000) 4.183 3.127 ( 0.000 7.595 0.000) 7.595 3.158 ( 0.000 -9.674 0.000) 9.674 3.215 ( 0.000 -5.027 0.000) 5.027 3.284 ( 0.000 -4.102 0.000) 4.102 3.452 ( 0.000 7.653 0.000) 7.653 3.556 ( 0.000 10.302 0.000) 10.302 3.558 ( 0.000 -0.572 0.000) 0.572 3.601 ( 0.000 2.151 0.000) 2.151 3.659 ( 0.000 -0.295 0.000) 0.295 3.775 ( 0.000 -8.063 0.000) 8.063 3.851 ( 0.000 2.037 0.000) 2.037 3.857 ( 0.000 0.150 0.000) 0.150 4.050 ( 0.000 2.075 0.000) 2.075 4.118 ( 0.000 -4.455 0.000) 4.455 4.205 ( 0.000 5.599 0.000) 5.599 4.212 ( 0.000 5.062 0.000) 5.062 4.357 ( 0.000 11.578 0.000) 11.578 4.403 ( 0.000 1.448 0.000) 1.448 4.454 ( 0.000 -2.416 0.000) 2.416 4.541 ( 0.000 -0.841 0.000) 0.841 4.549 ( 0.000 3.095 0.000) 3.095 4.627 ( 0.000 3.372 0.000) 3.372 4.651 ( 0.000 -5.225 0.000) 5.225 4.699 ( 0.000 -1.650 0.000) 1.650 4.807 ( 0.000 9.318 0.000) 9.318 4.864 ( 0.000 9.976 0.000) 9.976 4.874 ( 0.000 2.793 0.000) 2.793 4.936 ( 0.000 4.186 0.000) 4.186 4.997 ( 0.000 2.489 0.000) 2.489 5.071 ( 0.000 1.214 0.000) 1.214 5.093 ( 0.000 5.344 0.000) 5.344 5.279 ( 0.000 -11.889 0.000) 11.889 5.328 ( 0.000 1.384 0.000) 1.384 5.348 ( 0.000 -4.129 0.000) 4.129 5.544 ( 0.000 8.289 0.000) 8.289 5.633 ( 0.000 16.510 0.000) 16.510 5.694 ( 0.000 -8.661 0.000) 8.661 5.855 ( 0.000 11.999 0.000) 11.999 5.953 ( 0.000 -13.172 0.000) 13.172 6.030 ( 0.000 11.017 0.000) 11.017 6.123 ( 0.000 -14.037 0.000) 14.037 6.300 ( 0.000 -15.655 0.000) 15.655 6.399 ( 0.000 15.648 0.000) 15.648 6.494 ( 0.000 0.915 0.000) 0.915 6.560 ( 0.000 9.348 0.000) 9.348 6.779 ( 0.000 0.529 0.000) 0.529 6.792 ( 0.000 -12.496 0.000) 12.496 6.816 ( 0.000 -2.595 0.000) 2.595 6.896 ( 0.000 9.684 0.000) 9.684 7.114 ( 0.000 -5.877 0.000) 5.877 7.289 ( 0.000 7.190 0.000) 7.190 7.379 ( 0.000 2.181 0.000) 2.181 7.438 ( 0.000 -5.201 0.000) 5.201 7.440 ( 0.000 -5.273 0.000) 5.273 7.737 ( 0.000 4.418 0.000) 4.418 7.849 ( 0.000 4.780 0.000) 4.780 7.862 ( 0.000 -8.421 0.000) 8.421 8.014 ( 0.000 -11.751 0.000) 11.751 8.064 ( 0.000 7.507 0.000) 7.507 8.188 ( 0.000 -6.480 0.000) 6.480 8.244 ( 0.000 7.679 0.000) 7.679 8.306 ( 0.000 0.478 0.000) 0.478 8.389 ( 0.000 -8.796 0.000) 8.796 8.437 ( 0.000 -8.142 0.000) 8.142 8.665 ( 0.000 2.787 0.000) 2.787 8.794 ( 0.000 -9.284 0.000) 9.284 8.958 ( 0.000 4.440 0.000) 4.440 9.073 ( 0.000 -7.386 0.000) 7.386 9.136 ( 0.000 5.254 0.000) 5.254 9.246 ( 0.000 -5.926 0.000) 5.926 9.699 ( 0.000 5.494 0.000) 5.494 9.777 ( 0.000 -2.813 0.000) 2.813 9.900 ( 0.000 2.328 0.000) 2.328 9.935 ( 0.000 -1.274 0.000) 1.274 10.163 ( 0.000 4.562 0.000) 4.562 10.167 ( 0.000 3.829 0.000) 3.829 10.256 ( 0.000 2.514 0.000) 2.514 10.286 ( 0.000 -0.772 0.000) 0.772 10.574 ( 0.000 1.919 0.000) 1.919 10.588 ( 0.000 0.077 0.000) 0.077 10.779 ( 0.000 6.455 0.000) 6.455 10.853 ( 0.000 -0.231 0.000) 0.231 10.968 ( 0.000 8.527 0.000) 8.527 11.125 ( 0.000 -6.748 0.000) 6.748 11.141 ( 0.000 2.519 0.000) 2.519 11.209 ( 0.000 -4.192 0.000) 4.192 11.311 ( 0.000 9.932 0.000) 9.932 11.371 ( 0.000 14.753 0.000) 14.753 11.532 ( 0.000 1.715 0.000) 1.715 11.569 ( 0.000 -4.035 0.000) 4.035 11.616 ( 0.000 -8.037 0.000) 8.037 11.722 ( 0.000 -0.146 0.000) 0.146 11.726 ( 0.000 -2.317 0.000) 2.317 11.755 ( 0.000 -7.767 0.000) 7.767 11.892 ( 0.000 1.891 0.000) 1.891 11.967 ( 0.000 -5.175 0.000) 5.175 12.135 ( 0.000 11.646 0.000) 11.646 12.284 ( 0.000 2.282 0.000) 2.282 12.348 ( 0.000 -8.095 0.000) 8.095 12.435 ( 0.000 -11.841 0.000) 11.841 12.697 ( 0.000 6.499 0.000) 6.499 12.750 ( 0.000 1.909 0.000) 1.909 12.967 ( 0.000 -3.082 0.000) 3.082 13.004 ( 0.000 -7.035 0.000) 7.035 13.136 ( 0.000 -1.847 0.000) 1.847 13.182 ( 0.000 -7.109 0.000) 7.109 16.453 ( 0.000 5.978 0.000) 5.978 16.558 ( 0.000 -4.636 0.000) 4.636 16.920 ( 0.000 -0.399 0.000) 0.399 16.959 ( 0.000 -4.851 0.000) 4.851 17.541 ( 0.000 6.708 0.000) 6.708 17.594 ( 0.000 2.561 0.000) 2.561 17.769 ( 0.000 -3.415 0.000) 3.415 17.796 ( 0.000 -3.233 0.000) 3.233 18.117 ( 0.000 2.084 0.000) 2.084 18.142 ( 0.000 -0.308 0.000) 0.308 18.494 ( 0.000 6.858 0.000) 6.858 18.540 ( 0.000 17.556 0.000) 17.556 18.620 ( 0.000 -5.753 0.000) 5.753 18.872 ( 0.000 -11.793 0.000) 11.793 19.062 ( 0.000 5.991 0.000) 5.991 19.235 ( 0.000 -12.855 0.000) 12.855 19.487 ( 0.000 9.136 0.000) 9.136 19.684 ( 0.000 -11.531 0.000) 11.531 20.022 ( 0.000 6.666 0.000) 6.666 20.072 ( 0.000 0.581 0.000) 0.581 20.341 ( 0.000 1.428 0.000) 1.428 20.366 ( 0.000 -0.287 0.000) 0.287 20.412 ( 0.000 2.544 0.000) 2.544 20.530 ( 0.000 -9.471 0.000) 9.471 20.678 ( 0.000 1.492 0.000) 1.492 20.711 ( 0.000 -1.585 0.000) 1.585 20.952 ( 0.000 0.330 0.000) 0.330 20.992 ( 0.000 -3.901 0.000) 3.901 21.468 ( 0.000 7.883 0.000) 7.883 21.604 ( 0.000 -5.395 0.000) 5.395 21.955 ( 0.000 9.547 0.000) 9.547 22.163 ( 0.000 -11.025 0.000) 11.025 22.757 ( 0.000 13.894 0.000) 13.894 22.978 ( 0.000 -8.949 0.000) 8.949 22.991 ( 0.000 9.149 0.000) 9.149 23.134 ( 0.000 -5.520 0.000) 5.520 ======================= Grid point 22 (14/64) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -1.511 20.881 4.043) 21.323 1.500 ( 1.198 19.376 4.403) 19.906 1.572 ( -0.567 17.583 2.161) 17.724 1.742 ( 0.642 -9.679 3.081) 10.178 1.868 ( -0.274 -10.768 3.361) 11.284 1.959 ( -3.690 -12.404 -0.331) 12.946 2.064 ( -1.276 5.619 1.583) 5.976 2.145 ( -5.220 -0.867 -0.458) 5.311 2.221 ( -1.546 0.937 -2.416) 3.017 2.271 ( -0.275 0.186 -0.642) 0.723 2.300 ( -4.641 -0.365 -0.421) 4.674 2.313 ( 1.411 -5.487 -1.014) 5.756 2.363 ( -3.188 2.138 -0.713) 3.905 2.415 ( -1.384 -1.308 0.338) 1.934 2.447 ( -2.401 0.688 -2.426) 3.482 2.500 ( -1.496 -1.902 -0.111) 2.422 2.562 ( -0.827 2.906 0.653) 3.092 2.629 ( -2.357 -2.311 -4.284) 5.408 2.666 ( -1.727 1.692 -0.193) 2.425 2.705 ( 0.084 1.340 -2.815) 3.119 2.791 ( -1.107 2.471 -0.113) 2.711 2.827 ( -0.042 3.076 -2.440) 3.926 2.874 ( -0.355 1.471 -4.649) 4.889 2.910 ( -1.663 -4.731 1.248) 5.168 2.931 ( 3.054 1.418 -2.054) 3.944 3.086 ( 0.320 -9.225 -5.251) 10.620 3.158 ( 1.057 4.808 3.547) 6.068 3.217 ( 5.586 7.162 0.997) 9.137 3.221 ( -3.582 1.456 6.687) 7.725 3.369 ( 6.144 -3.491 2.183) 7.396 3.435 ( -4.921 3.069 6.584) 8.774 3.501 ( -6.957 0.065 5.991) 9.182 3.558 ( -4.707 5.532 4.144) 8.363 3.623 ( 3.841 5.364 -2.466) 7.044 3.687 ( -0.988 -2.339 -0.136) 2.542 3.775 ( 4.078 -4.000 -2.452) 6.216 3.902 ( 4.898 4.478 0.810) 6.685 3.941 ( 6.306 -0.103 2.724) 6.870 4.037 ( 1.268 1.898 -2.572) 3.439 4.101 ( -0.851 -4.409 0.464) 4.514 4.173 ( -2.378 6.080 -0.758) 6.573 4.218 ( 0.614 3.802 -0.990) 3.977 4.351 ( -1.194 11.235 -1.702) 11.426 4.393 ( -3.219 -1.049 -2.103) 3.985 4.432 ( 0.466 -1.280 -1.570) 2.079 4.520 ( 0.099 5.519 -1.065) 5.622 4.560 ( 0.989 3.581 -1.674) 4.075 4.593 ( -4.736 -6.033 0.470) 7.684 4.657 ( 0.446 -0.209 -0.474) 0.683 4.679 ( 1.789 -5.630 -2.687) 6.489 4.806 ( 0.024 6.926 1.335) 7.054 4.830 ( -2.438 5.650 2.014) 6.475 4.861 ( 0.134 8.318 -1.382) 8.433 4.970 ( 0.692 0.547 -2.154) 2.328 5.008 ( 0.798 4.611 0.898) 4.765 5.017 ( -2.529 3.461 -2.217) 4.826 5.106 ( 1.235 3.784 -0.777) 4.056 5.243 ( -2.834 3.288 -7.043) 8.273 5.280 ( 0.440 -5.116 -2.263) 5.612 5.344 ( 1.823 -3.837 -0.927) 4.347 5.507 ( -2.260 8.127 -1.456) 8.560 5.663 ( 2.916 2.447 -0.789) 3.887 5.705 ( -2.259 2.332 2.937) 4.378 5.899 ( 1.193 -6.230 1.467) 6.511 5.950 ( 0.225 7.659 3.448) 8.402 6.079 ( 3.644 -4.332 0.824) 5.721 6.143 ( 0.166 -6.766 3.770) 7.747 6.271 ( -0.316 -13.072 -1.998) 13.228 6.453 ( 2.907 14.063 2.766) 14.625 6.514 ( 1.017 5.055 0.098) 5.157 6.597 ( 3.503 5.777 1.002) 6.830 6.735 ( -4.272 -4.560 -0.542) 6.272 6.746 ( -2.802 0.566 -0.304) 2.874 6.785 ( -2.511 -3.125 0.324) 4.022 6.914 ( 0.063 4.226 0.284) 4.236 7.118 ( -0.373 -8.062 1.178) 8.156 7.281 ( 0.764 5.652 -3.686) 6.791 7.367 ( -0.413 -1.613 -1.986) 2.592 7.460 ( 0.955 -3.515 2.570) 4.458 7.467 ( 2.491 -3.662 0.871) 4.514 7.737 ( -2.162 3.665 -0.509) 4.285 7.781 ( -0.433 2.081 0.683) 2.233 7.925 ( 0.585 -4.236 2.095) 4.761 8.002 ( -1.477 -9.593 1.414) 9.809 8.066 ( 0.242 7.319 -0.711) 7.358 8.177 ( -0.356 1.101 -0.476) 1.252 8.251 ( 1.668 -0.930 -2.810) 3.397 8.312 ( 2.583 -2.490 -2.672) 4.473 8.428 ( -0.946 -3.571 3.758) 5.270 8.470 ( 1.627 -7.103 6.862) 10.009 8.712 ( 0.934 -0.674 4.962) 5.094 8.768 ( -2.044 -5.047 0.800) 5.503 8.971 ( 1.823 1.551 -1.296) 2.722 9.066 ( 0.392 -7.420 -1.620) 7.605 9.122 ( -1.820 4.532 0.635) 4.925 9.224 ( -2.362 -5.705 0.263) 6.180 9.676 ( 0.357 4.646 -3.596) 5.886 9.735 ( -0.527 -1.902 -5.283) 5.639 9.856 ( -2.385 3.909 -2.288) 5.119 9.908 ( -2.467 -1.117 -1.580) 3.135 10.168 ( 0.424 6.128 2.036) 6.471 10.196 ( 0.773 3.491 2.402) 4.307 10.306 ( 1.208 2.077 4.326) 4.949 10.354 ( 2.845 -2.724 4.510) 5.988 10.553 ( 0.279 2.263 -1.304) 2.627 10.583 ( 0.061 -0.680 -0.921) 1.146 10.769 ( -0.177 6.240 -2.607) 6.765 10.820 ( -0.554 2.033 -0.349) 2.136 11.008 ( 1.031 3.698 -2.540) 4.603 11.064 ( -2.382 0.269 3.485) 4.230 11.174 ( -0.394 0.433 -4.662) 4.699 11.219 ( 2.890 -1.653 1.962) 3.864 11.260 ( -3.088 8.562 -2.782) 9.517 11.376 ( 0.657 10.461 -0.533) 10.496 11.541 ( 0.310 1.443 0.293) 1.504 11.545 ( 0.917 -3.183 -5.131) 6.107 11.622 ( 0.680 -6.645 -0.686) 6.715 11.696 ( -2.289 -5.318 -1.233) 5.919 11.745 ( 1.797 -1.081 1.094) 2.366 11.774 ( 1.635 -3.379 1.643) 4.098 11.902 ( 2.155 2.205 -2.156) 3.762 11.974 ( 0.670 -4.705 -0.418) 4.770 12.143 ( -0.047 10.762 1.622) 10.884 12.266 ( -3.682 3.550 2.542) 5.712 12.340 ( 0.757 -8.673 -2.124) 8.962 12.429 ( -3.284 -12.474 4.122) 13.541 12.668 ( -3.050 6.169 0.563) 6.904 12.740 ( -1.416 0.760 0.079) 1.609 12.945 ( -1.085 -0.158 -0.284) 1.132 13.042 ( 1.454 -7.156 1.942) 7.556 13.128 ( -0.189 -1.988 -0.260) 2.013 13.175 ( 0.019 -7.794 -1.155) 7.879 16.473 ( 1.552 5.091 0.898) 5.397 16.560 ( 0.771 -3.866 -0.937) 4.052 16.887 ( -2.350 1.864 -1.087) 3.191 16.956 ( 0.231 -5.577 -1.046) 5.679 17.495 ( -2.707 6.459 -0.586) 7.028 17.609 ( -0.184 -2.405 -0.800) 2.542 17.789 ( 4.313 2.842 -1.002) 5.261 17.857 ( 2.458 -2.443 2.435) 4.236 18.107 ( -1.738 2.053 1.305) 2.990 18.153 ( 2.219 -2.080 -0.988) 3.197 18.395 ( -11.427 12.603 0.273) 17.014 18.511 ( -6.603 -0.532 8.065) 10.436 18.611 ( 1.569 8.177 -1.779) 8.514 18.848 ( -1.813 -9.918 -0.486) 10.094 19.049 ( 0.009 6.485 -1.969) 6.777 19.223 ( -0.043 -9.886 -1.039) 9.941 19.409 ( -7.605 9.636 -0.994) 12.316 19.645 ( -3.861 -12.790 -2.904) 13.672 19.748 ( -19.287 5.127 2.063) 20.064 19.872 ( -16.603 -6.614 2.371) 18.028 20.398 ( 5.698 2.744 0.936) 6.393 20.441 ( 9.250 -0.737 -1.056) 9.339 20.602 ( 11.082 6.561 0.489) 12.888 20.738 ( 7.823 -2.181 -0.993) 8.182 20.765 ( 6.826 -2.495 -2.376) 7.646 20.793 ( 12.406 -5.202 0.898) 13.482 20.952 ( 4.628 1.330 -3.188) 5.775 21.012 ( 7.240 -4.891 -4.085) 9.645 21.475 ( -1.889 8.030 3.808) 9.086 21.620 ( -0.655 -6.117 3.945) 7.308 21.914 ( -4.027 8.842 -0.399) 9.724 22.116 ( -3.889 -10.822 -2.043) 11.680 22.765 ( 0.337 13.788 0.682) 13.809 22.937 ( -2.055 9.316 -3.718) 10.239 22.990 ( -0.844 -7.102 2.030) 7.435 23.112 ( -1.512 -6.366 -1.046) 6.626 ======================= Grid point 23 (15/64) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -2.487 18.164 2.492) 18.502 1.622 ( 2.175 7.922 1.603) 8.370 1.649 ( 4.259 10.703 6.156) 13.061 1.748 ( -3.782 -9.827 3.911) 11.233 1.907 ( -0.341 -2.542 2.454) 3.549 1.923 ( -0.147 -4.954 2.484) 5.544 2.022 ( -3.296 4.138 -1.751) 5.573 2.061 ( -4.445 -1.755 1.738) 5.085 2.143 ( -3.416 -1.180 -3.751) 5.209 2.181 ( -4.479 2.019 -1.629) 5.176 2.236 ( -3.234 -0.893 1.499) 3.674 2.281 ( -3.459 -6.725 0.872) 7.613 2.332 ( 1.515 3.772 -3.227) 5.190 2.385 ( -1.606 4.281 -0.457) 4.595 2.393 ( -1.518 0.523 -0.119) 1.610 2.500 ( -0.105 -0.962 -0.769) 1.236 2.536 ( -2.313 -0.014 -3.586) 4.267 2.564 ( 1.861 -4.677 0.063) 5.034 2.622 ( -1.782 3.105 -1.208) 3.779 2.659 ( -1.939 0.093 -1.611) 2.523 2.766 ( -1.697 8.114 -0.704) 8.319 2.825 ( 4.092 0.188 -4.649) 6.197 2.838 ( 1.290 0.045 -2.909) 3.183 2.888 ( -1.581 -3.651 2.087) 4.493 2.966 ( 2.073 -0.154 -0.956) 2.288 3.040 ( -0.825 -3.556 -1.785) 4.064 3.149 ( -3.964 -0.659 1.615) 4.330 3.201 ( -2.474 -5.684 3.460) 7.099 3.347 ( -0.449 9.828 0.993) 9.888 3.408 ( 2.244 4.629 1.123) 5.266 3.465 ( -1.938 -0.814 1.207) 2.424 3.503 ( 4.340 -2.776 1.560) 5.383 3.567 ( -3.567 5.160 9.089) 11.044 3.649 ( -0.697 -1.656 6.324) 6.574 3.675 ( 2.366 7.720 -4.140) 9.074 3.791 ( 1.931 -2.692 -5.278) 6.232 3.949 ( -0.482 5.420 1.185) 5.569 4.059 ( 0.018 5.155 0.522) 5.182 4.070 ( 0.558 -0.950 1.532) 1.887 4.098 ( -1.915 6.326 -1.427) 6.761 4.165 ( 5.377 1.967 1.238) 5.858 4.195 ( -0.266 0.560 -0.066) 0.623 4.268 ( -2.534 -1.332 -5.671) 6.352 4.306 ( -1.756 -2.729 -2.050) 3.838 4.433 ( 1.168 3.424 1.465) 3.904 4.509 ( 0.937 6.271 -3.353) 7.173 4.543 ( -1.432 2.584 2.210) 3.690 4.582 ( 1.452 1.162 -1.194) 2.209 4.652 ( 0.880 -2.033 -4.964) 5.436 4.681 ( 2.266 -2.790 0.286) 3.605 4.757 ( -5.268 5.721 -0.533) 7.795 4.807 ( -0.520 5.136 -1.966) 5.524 4.862 ( -3.061 1.815 3.013) 4.663 4.961 ( 0.361 1.128 -1.979) 2.307 4.976 ( 0.684 2.009 1.912) 2.857 5.027 ( 1.011 0.289 -0.678) 1.251 5.089 ( -0.746 9.129 -2.721) 9.555 5.157 ( 0.345 11.929 -2.141) 12.125 5.280 ( 1.558 -2.451 -1.800) 3.417 5.361 ( 1.775 -0.604 -1.897) 2.668 5.450 ( -1.812 2.970 -1.991) 4.009 5.683 ( -0.204 -8.957 1.222) 9.042 5.704 ( 0.039 10.403 0.320) 10.408 5.926 ( -0.519 -3.021 3.077) 4.343 6.014 ( 2.393 -7.826 2.010) 8.427 6.103 ( 0.383 -9.674 -1.525) 9.801 6.246 ( 2.961 -2.221 3.876) 5.359 6.266 ( 0.832 -5.158 2.214) 5.674 6.482 ( -0.925 9.163 -2.223) 9.474 6.554 ( 4.246 8.965 -0.999) 9.970 6.626 ( -3.166 3.042 -1.945) 4.802 6.672 ( -0.244 -4.097 0.465) 4.130 6.713 ( -2.121 4.201 1.446) 4.923 6.787 ( -0.182 4.754 6.825) 8.319 6.901 ( -0.746 0.743 -0.540) 1.184 7.126 ( -0.350 -12.394 1.298) 12.467 7.231 ( -1.046 3.862 -3.780) 5.505 7.328 ( 0.253 -6.260 -3.785) 7.320 7.499 ( 0.941 -0.860 0.609) 1.413 7.537 ( 2.683 -3.891 1.885) 5.088 7.687 ( -1.773 7.787 -0.281) 7.991 7.816 ( 1.180 -2.480 1.666) 3.212 7.923 ( -1.275 0.803 -0.211) 1.522 8.006 ( -1.093 -2.285 2.867) 3.826 8.048 ( -0.682 4.758 -1.457) 5.023 8.181 ( 0.585 0.890 0.960) 1.434 8.235 ( 0.447 -5.176 -2.851) 5.926 8.327 ( 1.233 -5.299 -1.437) 5.627 8.452 ( -0.133 1.261 2.589) 2.883 8.588 ( 2.044 -8.950 5.010) 10.459 8.723 ( -1.346 3.300 1.091) 3.728 8.817 ( 0.854 -6.048 5.284) 8.076 8.988 ( 1.822 -0.613 -1.521) 2.452 9.058 ( 0.860 -7.446 -1.372) 7.620 9.092 ( -2.213 3.291 1.191) 4.140 9.182 ( -2.367 -5.354 0.395) 5.867 9.655 ( 1.898 3.938 -2.674) 5.124 9.683 ( 1.290 0.706 -3.849) 4.120 9.778 ( -3.445 4.059 -1.903) 5.654 9.818 ( -4.232 -0.134 -2.922) 5.144 10.213 ( 1.227 5.932 2.566) 6.578 10.247 ( 1.754 3.000 2.478) 4.268 10.339 ( -1.598 1.784 1.508) 2.831 10.402 ( -1.839 -2.854 1.756) 3.823 10.591 ( 3.542 2.288 0.837) 4.299 10.618 ( 3.440 -0.461 1.460) 3.766 10.730 ( -0.559 6.448 -1.913) 6.749 10.822 ( 0.625 0.437 -0.412) 0.867 10.972 ( -0.228 2.139 -0.906) 2.334 11.053 ( -3.078 -4.716 -0.415) 5.646 11.103 ( -1.186 15.898 -6.256) 17.126 11.193 ( -0.704 6.270 -0.188) 6.312 11.275 ( 0.656 0.195 1.910) 2.029 11.385 ( 1.614 -0.284 -0.690) 1.778 11.501 ( 0.538 -1.824 -4.476) 4.864 11.528 ( -1.986 -0.142 -1.077) 2.263 11.609 ( -0.542 -3.232 0.020) 3.277 11.663 ( 0.477 -5.977 -1.566) 6.197 11.802 ( 2.295 0.098 1.572) 2.784 11.840 ( 3.000 -1.512 2.043) 3.932 11.908 ( 1.457 2.434 -2.796) 3.983 11.968 ( -0.532 -2.919 -1.288) 3.234 12.167 ( 0.779 7.731 1.052) 7.841 12.218 ( -4.336 4.233 2.685) 6.628 12.340 ( 2.258 -8.451 -2.312) 9.048 12.406 ( -4.932 -12.417 4.880) 14.224 12.619 ( -2.559 5.298 0.365) 5.894 12.704 ( -2.134 -0.634 -0.025) 2.226 12.926 ( -0.602 3.061 -0.373) 3.142 13.080 ( -0.010 -7.573 2.377) 7.937 13.133 ( 0.643 -2.374 -0.433) 2.497 13.167 ( 0.710 -8.244 -0.789) 8.312 16.517 ( 1.654 3.077 1.178) 3.687 16.563 ( 1.052 -1.914 -1.500) 2.649 16.835 ( -2.063 5.302 -0.331) 5.699 16.946 ( -0.029 -6.957 -0.914) 7.017 17.449 ( -1.072 7.222 -1.200) 7.399 17.578 ( -1.030 -3.146 -1.682) 3.713 17.833 ( 0.372 7.249 -1.530) 7.418 17.911 ( 1.083 -1.485 2.423) 3.041 18.095 ( -0.655 2.688 0.571) 2.825 18.176 ( -1.445 1.713 -0.625) 2.327 18.260 ( -2.336 5.223 3.696) 6.812 18.437 ( -7.871 -5.522 4.919) 10.800 18.681 ( 3.677 5.271 3.256) 7.204 18.807 ( -1.658 -6.171 -0.338) 6.399 19.037 ( 3.000 10.570 -4.025) 11.702 19.204 ( -1.926 -3.754 -3.976) 5.798 19.251 ( -5.561 14.631 -1.010) 15.685 19.402 ( -11.250 4.860 -1.150) 12.309 19.616 ( -4.513 -16.221 2.344) 16.999 19.651 ( -10.606 -14.889 2.352) 18.431 20.516 ( 4.402 3.135 0.697) 5.449 20.568 ( 4.811 -1.802 -0.846) 5.207 20.704 ( 1.652 5.772 -1.761) 6.257 20.782 ( 1.385 -1.177 -2.478) 3.073 20.860 ( 7.145 0.568 -0.609) 7.194 20.950 ( 6.291 -6.535 -0.901) 9.115 21.118 ( 11.592 1.417 -3.156) 12.097 21.191 ( 12.779 -5.404 1.500) 13.956 21.480 ( -2.211 9.650 3.744) 10.584 21.650 ( -0.800 -4.507 1.345) 4.771 21.829 ( -4.520 2.782 1.413) 5.492 21.986 ( -6.760 -9.679 -3.030) 12.188 22.780 ( 0.346 13.653 0.652) 13.673 22.858 ( -2.260 13.890 -2.229) 14.248 22.999 ( -0.135 -8.581 0.960) 8.635 23.071 ( -1.404 -7.887 -0.907) 8.062 ======================= Grid point 24 (16/64) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 0.000 13.645 0.000) 13.645 1.659 ( 0.000 -4.256 -0.000) 4.256 1.677 ( -0.000 10.050 0.000) 10.050 1.777 ( 0.000 -4.046 -0.000) 4.046 1.917 ( 0.000 -0.730 -0.000) 0.730 1.971 ( 0.000 3.830 -0.000) 3.830 1.978 ( 0.000 9.197 0.000) 9.197 2.000 ( 0.000 -10.805 0.000) 10.805 2.083 ( -0.000 -1.145 -0.000) 1.145 2.091 ( 0.000 4.233 0.000) 4.233 2.249 ( 0.000 -3.555 -0.000) 3.555 2.256 ( 0.000 -6.342 0.000) 6.342 2.331 ( 0.000 3.276 0.000) 3.276 2.356 ( 0.000 2.116 0.000) 2.116 2.377 ( 0.000 5.975 0.000) 5.975 2.464 ( 0.000 -0.550 0.000) 0.550 2.506 ( 0.000 2.570 0.000) 2.570 2.596 ( -0.000 1.706 0.000) 1.706 2.602 ( 0.000 -5.937 0.000) 5.937 2.622 ( 0.000 0.186 0.000) 0.186 2.746 ( 0.000 11.224 0.000) 11.224 2.824 ( -0.000 -1.594 0.000) 1.594 2.837 ( 0.000 -2.626 -0.000) 2.626 2.919 ( 0.000 -5.826 0.000) 5.826 2.955 ( 0.000 2.828 0.000) 2.828 3.046 ( 0.000 -4.115 0.000) 4.115 3.102 ( 0.000 0.627 0.000) 0.627 3.193 ( 0.000 -9.876 0.000) 9.876 3.321 ( 0.000 10.341 -0.000) 10.341 3.441 ( 0.000 -1.895 0.000) 1.895 3.489 ( 0.000 3.999 0.000) 3.999 3.528 ( -0.000 3.512 0.000) 3.512 3.596 ( 0.000 4.950 0.000) 4.950 3.668 ( 0.000 6.134 -0.000) 6.134 3.736 ( 0.000 -0.982 0.000) 0.982 3.739 ( -0.000 -7.060 -0.000) 7.060 3.971 ( 0.000 6.321 0.000) 6.321 3.988 ( 0.000 8.975 -0.000) 8.975 4.082 ( 0.000 8.059 -0.000) 8.059 4.099 ( -0.000 -5.310 0.000) 5.310 4.174 ( 0.000 -7.901 0.000) 7.901 4.200 ( 0.000 -3.094 0.000) 3.094 4.269 ( 0.000 4.774 0.000) 4.774 4.272 ( -0.000 5.268 -0.000) 5.268 4.475 ( 0.000 4.534 -0.000) 4.534 4.486 ( -0.000 -0.640 0.000) 0.640 4.567 ( 0.000 9.841 0.000) 9.841 4.585 ( -0.000 5.678 -0.000) 5.678 4.608 ( 0.000 0.116 0.000) 0.116 4.670 ( 0.000 -0.908 0.000) 0.908 4.731 ( 0.000 1.839 0.000) 1.839 4.807 ( 0.000 -0.563 0.000) 0.563 4.828 ( 0.000 3.142 -0.000) 3.142 4.958 ( 0.000 -2.742 0.000) 2.742 5.003 ( 0.000 3.413 -0.000) 3.413 5.028 ( 0.000 -4.117 0.000) 4.117 5.071 ( -0.000 18.803 0.000) 18.803 5.152 ( 0.000 11.649 0.000) 11.649 5.284 ( 0.000 -3.195 0.000) 3.195 5.368 ( 0.000 2.672 0.000) 2.672 5.417 ( 0.000 0.878 0.000) 0.878 5.697 ( 0.000 -14.313 0.000) 14.313 5.700 ( 0.000 13.487 -0.000) 13.487 5.941 ( 0.000 -4.013 0.000) 4.013 6.055 ( 0.000 -15.551 -0.000) 15.551 6.095 ( 0.000 -9.632 0.000) 9.632 6.262 ( 0.000 2.821 0.000) 2.821 6.340 ( 0.000 -5.278 0.000) 5.278 6.443 ( 0.000 9.909 0.000) 9.909 6.573 ( 0.000 7.506 -0.000) 7.506 6.580 ( -0.000 -3.783 0.000) 3.783 6.683 ( 0.000 14.122 0.000) 14.122 6.693 ( -0.000 -4.692 -0.000) 4.692 6.853 ( 0.000 11.638 -0.000) 11.638 6.884 ( 0.000 -4.991 0.000) 4.991 7.132 ( 0.000 -14.500 0.000) 14.500 7.192 ( 0.000 4.065 0.000) 4.065 7.306 ( 0.000 -8.043 0.000) 8.043 7.509 ( 0.000 0.450 0.000) 0.450 7.578 ( 0.000 -6.097 0.000) 6.097 7.668 ( 0.000 11.010 0.000) 11.010 7.840 ( 0.000 -9.801 0.000) 9.801 7.904 ( 0.000 10.297 0.000) 10.297 8.018 ( -0.000 -2.106 -0.000) 2.106 8.025 ( 0.000 6.344 0.000) 6.344 8.208 ( 0.000 -11.447 -0.000) 11.447 8.210 ( 0.000 4.527 0.000) 4.527 8.327 ( 0.000 -6.574 0.000) 6.574 8.469 ( 0.000 1.790 0.000) 1.790 8.632 ( 0.000 -10.836 0.000) 10.836 8.720 ( 0.000 6.864 0.000) 6.864 8.857 ( 0.000 -8.234 0.000) 8.234 8.995 ( 0.000 1.013 0.000) 1.013 9.062 ( -0.000 -7.358 0.000) 7.358 9.083 ( 0.000 1.789 -0.000) 1.789 9.160 ( 0.000 -5.199 0.000) 5.199 9.686 ( 0.000 5.169 0.000) 5.169 9.692 ( -0.000 2.667 0.000) 2.667 9.713 ( 0.000 1.980 0.000) 1.980 9.729 ( 0.000 -0.032 0.000) 0.032 10.246 ( 0.000 5.651 0.000) 5.651 10.302 ( 0.000 4.808 0.000) 4.808 10.306 ( -0.000 -0.881 -0.000) 0.881 10.383 ( 0.000 -1.633 0.000) 1.633 10.632 ( 0.000 3.973 0.000) 3.973 10.671 ( 0.000 -0.491 0.000) 0.491 10.720 ( 0.000 5.232 0.000) 5.232 10.827 ( 0.000 -1.804 0.000) 1.804 10.996 ( 0.000 -1.204 0.000) 1.204 10.999 ( -0.000 -4.389 0.000) 4.389 11.025 ( 0.000 21.606 -0.000) 21.606 11.196 ( 0.000 8.978 0.000) 8.978 11.286 ( 0.000 0.031 0.000) 0.031 11.428 ( 0.000 -16.631 0.000) 16.631 11.449 ( 0.000 7.212 -0.000) 7.212 11.495 ( 0.000 1.147 0.000) 1.147 11.615 ( 0.000 -2.271 0.000) 2.271 11.657 ( 0.000 -5.303 -0.000) 5.303 11.838 ( 0.000 3.251 0.000) 3.251 11.892 ( 0.000 0.074 0.000) 0.074 11.919 ( 0.000 -0.997 0.000) 0.997 11.925 ( -0.000 -1.206 -0.000) 1.206 12.186 ( -0.000 7.808 0.000) 7.808 12.188 ( 0.000 2.195 -0.000) 2.195 12.365 ( -0.000 -7.165 0.000) 7.165 12.371 ( 0.000 -12.979 -0.000) 12.979 12.597 ( 0.000 4.738 0.000) 4.738 12.682 ( 0.000 -0.931 0.000) 0.931 12.918 ( 0.000 3.698 0.000) 3.698 13.094 ( 0.000 -9.798 -0.000) 9.798 13.134 ( 0.000 -1.021 0.000) 1.021 13.174 ( 0.000 -7.768 0.000) 7.768 16.541 ( 0.000 2.403 0.000) 2.403 16.564 ( 0.000 -0.974 0.000) 0.974 16.815 ( 0.000 6.167 0.000) 6.167 16.940 ( 0.000 -7.709 0.000) 7.709 17.433 ( 0.000 8.168 0.000) 8.168 17.554 ( 0.000 -1.194 0.000) 1.194 17.815 ( 0.000 9.294 0.000) 9.294 17.935 ( 0.000 -3.801 0.000) 3.801 18.096 ( 0.000 3.936 0.000) 3.936 18.148 ( 0.000 7.099 0.000) 7.099 18.283 ( 0.000 -5.514 0.000) 5.514 18.390 ( 0.000 -7.661 0.000) 7.661 18.745 ( 0.000 3.113 -0.000) 3.113 18.796 ( 0.000 -1.104 0.000) 1.104 19.071 ( -0.000 6.455 0.000) 6.455 19.107 ( 0.000 7.126 0.000) 7.126 19.167 ( 0.000 17.503 0.000) 17.503 19.337 ( 0.000 5.000 0.000) 5.000 19.558 ( 0.000 -21.254 0.000) 21.254 19.589 ( 0.000 -17.828 0.000) 17.828 20.553 ( 0.000 1.911 0.000) 1.911 20.596 ( 0.000 -2.445 0.000) 2.445 20.705 ( 0.000 4.893 0.000) 4.893 20.783 ( 0.000 -2.707 0.000) 2.707 20.931 ( 0.000 2.684 0.000) 2.684 21.006 ( 0.000 -4.195 0.000) 4.195 21.214 ( 0.000 4.604 0.000) 4.604 21.356 ( 0.000 -9.986 0.000) 9.986 21.481 ( 0.000 10.856 -0.000) 10.856 21.624 ( 0.000 1.769 0.000) 1.769 21.811 ( 0.000 -6.679 0.000) 6.679 21.875 ( 0.000 -7.394 0.000) 7.394 22.787 ( 0.000 13.678 0.000) 13.678 22.824 ( 0.000 15.202 0.000) 15.202 23.004 ( 0.000 -8.707 0.000) 8.707 23.052 ( 0.000 -8.590 0.000) 8.590 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( -5.451 0.000 19.874) 20.607 0.438 ( 4.283 0.000 24.176) 24.552 0.827 ( 10.117 0.000 44.246) 45.388 1.104 ( 2.919 0.000 3.014) 4.196 1.373 ( 0.298 0.000 10.250) 10.255 1.618 ( -2.351 0.000 6.180) 6.612 1.661 ( -5.897 0.000 -16.233) 17.271 1.861 ( -0.103 0.000 -0.172) 0.201 2.097 ( 0.755 0.000 5.806) 5.855 2.137 ( 4.948 0.000 6.186) 7.922 2.208 ( 0.767 0.000 -4.683) 4.745 2.272 ( -1.498 0.000 -9.376) 9.495 2.345 ( 0.535 0.000 -5.708) 5.733 2.387 ( -1.931 0.000 3.355) 3.871 2.401 ( -4.085 0.000 2.397) 4.736 2.518 ( -1.077 0.000 -6.516) 6.604 2.521 ( -0.003 0.000 0.626) 0.626 2.618 ( -1.840 0.000 1.390) 2.306 2.635 ( 3.999 0.000 1.005) 4.123 2.768 ( -1.364 0.000 3.494) 3.751 2.801 ( -0.096 0.000 -0.689) 0.695 2.838 ( -2.161 0.000 2.871) 3.594 2.913 ( -6.548 0.000 -5.070) 8.282 2.976 ( 7.173 0.000 -4.251) 8.338 3.054 ( 0.071 0.000 2.715) 2.716 3.066 ( -0.106 0.000 -1.274) 1.278 3.084 ( -1.238 0.000 -1.773) 2.162 3.153 ( 2.140 0.000 -1.294) 2.500 3.161 ( -3.572 0.000 2.009) 4.098 3.207 ( 3.348 0.000 -3.461) 4.815 3.291 ( -0.439 0.000 0.135) 0.459 3.357 ( 0.033 0.000 3.798) 3.798 3.363 ( 1.370 0.000 -1.055) 1.729 3.481 ( -4.545 0.000 -4.550) 6.431 3.540 ( 0.902 0.000 -3.451) 3.567 3.610 ( -9.476 0.000 -5.950) 11.189 3.632 ( -1.967 0.000 1.677) 2.585 3.665 ( -0.746 0.000 -4.335) 4.398 3.719 ( 1.503 0.000 0.120) 1.508 3.861 ( 1.734 0.000 -2.131) 2.748 3.886 ( -0.326 0.000 -2.593) 2.613 3.996 ( -0.977 0.000 3.818) 3.941 4.015 ( -2.155 0.000 -2.277) 3.135 4.061 ( 3.104 0.000 -1.030) 3.270 4.114 ( -2.311 0.000 5.567) 6.027 4.193 ( 3.097 0.000 2.822) 4.190 4.276 ( 0.087 0.000 5.646) 5.647 4.336 ( 7.665 0.000 -2.256) 7.990 4.495 ( 4.340 0.000 -1.082) 4.473 4.522 ( 0.045 0.000 0.597) 0.599 4.592 ( 9.278 0.000 4.609) 10.360 4.641 ( -0.784 0.000 5.092) 5.152 4.802 ( -7.043 0.000 -1.388) 7.179 4.847 ( 0.284 0.000 -6.922) 6.928 4.868 ( -0.508 0.000 -2.278) 2.334 4.928 ( 1.575 0.000 -3.043) 3.427 5.096 ( 0.618 0.000 -0.373) 0.722 5.143 ( -0.552 0.000 -6.538) 6.561 5.217 ( 3.688 0.000 2.857) 4.665 5.349 ( -0.733 0.000 -3.293) 3.374 5.548 ( -1.614 0.000 6.232) 6.437 5.623 ( 0.951 0.000 2.804) 2.961 5.672 ( -3.545 0.000 2.603) 4.398 5.814 ( 1.048 0.000 3.844) 3.985 5.868 ( -1.217 0.000 0.432) 1.292 6.014 ( 0.677 0.000 -4.211) 4.265 6.195 ( -2.081 0.000 3.034) 3.679 6.263 ( 1.265 0.000 2.114) 2.464 6.416 ( 1.897 0.000 -1.380) 2.345 6.459 ( 0.999 0.000 -0.192) 1.017 6.699 ( -4.423 0.000 3.840) 5.858 6.699 ( 5.256 0.000 0.439) 5.275 6.824 ( -2.721 0.000 -1.925) 3.333 6.951 ( -2.784 0.000 6.644) 7.204 6.961 ( -0.554 0.000 -0.790) 0.965 7.004 ( 0.731 0.000 -0.978) 1.221 7.163 ( 1.082 0.000 -5.324) 5.433 7.479 ( -0.431 0.000 -2.880) 2.912 7.611 ( 1.151 0.000 0.106) 1.156 7.670 ( 1.025 0.000 1.443) 1.770 7.778 ( 3.728 0.000 2.194) 4.326 7.853 ( -2.034 0.000 -0.679) 2.145 8.112 ( 1.032 0.000 1.006) 1.441 8.240 ( -6.142 0.000 -2.739) 6.724 8.318 ( -0.560 0.000 -4.117) 4.155 8.345 ( -1.503 0.000 -3.175) 3.513 8.607 ( 4.458 0.000 2.255) 4.996 8.663 ( 1.044 0.000 -0.648) 1.229 8.679 ( -1.223 0.000 0.323) 1.265 8.790 ( -5.507 0.000 -3.613) 6.586 8.806 ( 5.125 0.000 1.165) 5.255 8.972 ( 1.239 0.000 -0.116) 1.244 9.020 ( -2.034 0.000 4.351) 4.803 9.232 ( 2.325 0.000 -1.675) 2.865 9.376 ( 8.765 0.000 1.748) 8.937 9.433 ( 0.082 0.000 -0.093) 0.123 9.596 ( 2.043 0.000 0.544) 2.114 9.613 ( -13.291 0.000 0.177) 13.293 9.680 ( 2.075 0.000 -0.492) 2.133 9.794 ( -1.745 0.000 -2.573) 3.109 9.932 ( 2.426 0.000 1.798) 3.020 10.034 ( -2.435 0.000 -4.026) 4.705 10.216 ( -2.467 0.000 0.759) 2.581 10.229 ( 4.019 0.000 1.508) 4.293 10.282 ( 3.036 0.000 1.264) 3.288 10.426 ( 1.387 0.000 8.843) 8.951 10.464 ( -3.080 0.000 -1.765) 3.550 10.500 ( -0.190 0.000 0.071) 0.203 10.569 ( 2.928 0.000 0.343) 2.948 10.762 ( -6.622 0.000 -5.205) 8.423 10.797 ( -0.268 0.000 -1.458) 1.482 10.909 ( -0.988 0.000 2.141) 2.357 11.156 ( 4.260 0.000 -2.829) 5.114 11.196 ( -0.934 0.000 -1.623) 1.873 11.402 ( -7.609 0.000 2.344) 7.962 11.598 ( 0.328 0.000 -3.347) 3.363 11.642 ( -0.962 0.000 0.941) 1.346 11.654 ( -0.447 0.000 0.075) 0.453 11.859 ( -0.540 0.000 0.352) 0.645 11.946 ( 6.652 0.000 -1.662) 6.857 12.000 ( 0.661 0.000 0.901) 1.117 12.015 ( -2.012 0.000 0.115) 2.015 12.144 ( 0.898 0.000 4.709) 4.794 12.372 ( 7.993 0.000 -1.974) 8.233 12.519 ( -0.236 0.000 2.094) 2.107 12.628 ( 0.782 0.000 -0.537) 0.949 12.864 ( -0.798 0.000 0.243) 0.834 12.889 ( 3.814 0.000 -0.326) 3.828 13.151 ( -1.104 0.000 0.434) 1.186 13.160 ( 1.559 0.000 0.393) 1.608 13.843 ( 0.023 0.000 2.481) 2.481 14.129 ( -17.095 0.000 -4.329) 17.635 16.042 ( -0.885 0.000 -2.205) 2.376 16.046 ( 0.031 0.000 -2.287) 2.288 16.577 ( 2.556 0.000 3.389) 4.245 16.628 ( 0.347 0.000 2.583) 2.606 17.323 ( -5.988 0.000 2.625) 6.538 17.571 ( -3.895 0.000 -4.793) 6.176 17.852 ( 0.056 0.000 -4.626) 4.626 17.866 ( 0.216 0.000 -3.161) 3.168 17.939 ( 0.543 0.000 7.051) 7.072 17.943 ( 2.847 0.000 6.870) 7.436 18.381 ( 22.277 0.000 -2.755) 22.446 18.414 ( -2.089 0.000 1.304) 2.463 18.630 ( -0.565 0.000 0.041) 0.567 18.829 ( 3.253 0.000 4.008) 5.162 18.855 ( -3.252 0.000 -5.125) 6.070 19.157 ( -2.970 0.000 -8.918) 9.399 19.593 ( 0.120 0.000 3.303) 3.305 19.848 ( 23.878 0.000 -4.910) 24.377 20.037 ( 24.734 0.000 4.689) 25.175 20.260 ( -7.605 0.000 -2.583) 8.031 20.399 ( 7.234 0.000 2.382) 7.616 20.560 ( -50.135 0.000 -2.076) 50.178 20.601 ( 5.886 0.000 5.906) 8.338 20.791 ( -1.073 0.000 -1.432) 1.789 20.878 ( 0.056 0.000 -2.939) 2.940 20.916 ( -6.281 0.000 -1.015) 6.363 21.092 ( 2.241 0.000 8.111) 8.415 21.196 ( -0.040 0.000 0.249) 0.252 21.198 ( 0.127 0.000 0.002) 0.127 21.472 ( -1.085 0.000 -3.250) 3.426 21.711 ( -0.149 0.000 -0.498) 0.520 21.780 ( -1.174 0.000 -3.303) 3.505 22.080 ( 3.070 0.000 8.038) 8.604 22.528 ( -0.917 0.000 -4.661) 4.750 23.217 ( -0.239 0.000 0.244) 0.342 23.242 ( 0.627 0.000 -0.369) 0.728 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 11.391 0.000 14.273) 18.261 0.900 ( 15.939 0.000 19.871) 25.474 1.203 ( 9.086 0.000 -8.078) 12.158 1.392 ( 1.949 0.000 -14.852) 14.980 1.470 ( -0.852 0.000 14.417) 14.442 1.601 ( -5.489 0.000 7.137) 9.004 1.605 ( 13.799 0.000 28.647) 31.797 1.938 ( -1.189 0.000 10.515) 10.582 2.045 ( -12.207 0.000 -3.847) 12.799 2.055 ( -7.537 0.000 -9.389) 12.040 2.129 ( -1.196 0.000 -1.270) 1.744 2.214 ( -1.284 0.000 -5.646) 5.790 2.245 ( -6.376 0.000 -5.498) 8.420 2.296 ( 2.674 0.000 -5.679) 6.277 2.411 ( -0.502 0.000 6.440) 6.460 2.474 ( -1.771 0.000 -1.470) 2.302 2.529 ( 3.697 0.000 -1.448) 3.971 2.572 ( -13.626 0.000 -6.468) 15.083 2.621 ( 0.906 0.000 2.468) 2.629 2.668 ( -5.078 0.000 2.353) 5.597 2.814 ( -6.090 0.000 -3.269) 6.912 2.825 ( 1.996 0.000 2.709) 3.365 2.879 ( 0.156 0.000 7.313) 7.315 2.970 ( -4.583 0.000 -0.546) 4.616 2.982 ( -3.648 0.000 3.920) 5.354 3.064 ( 1.213 0.000 -5.184) 5.324 3.085 ( 0.059 0.000 -2.120) 2.121 3.138 ( 2.348 0.000 -2.151) 3.184 3.215 ( 2.262 0.000 -4.739) 5.251 3.218 ( -0.113 0.000 -0.295) 0.316 3.282 ( -2.339 0.000 -7.651) 8.000 3.327 ( -3.886 0.000 0.333) 3.900 3.359 ( -0.723 0.000 4.105) 4.168 3.422 ( -4.485 0.000 0.475) 4.510 3.450 ( 0.752 0.000 3.444) 3.525 3.511 ( 7.808 0.000 1.297) 7.915 3.665 ( 5.716 0.000 -7.226) 9.214 3.667 ( 1.889 0.000 1.773) 2.591 3.775 ( 3.134 0.000 -0.241) 3.143 3.831 ( -1.458 0.000 -4.333) 4.572 3.904 ( -0.723 0.000 -7.262) 7.298 3.934 ( 5.370 0.000 -0.378) 5.383 4.030 ( -4.304 0.000 6.759) 8.013 4.094 ( -4.764 0.000 4.797) 6.761 4.127 ( -2.466 0.000 5.651) 6.165 4.206 ( 1.656 0.000 -3.003) 3.429 4.324 ( -3.222 0.000 -0.262) 3.232 4.420 ( -6.169 0.000 -6.304) 8.820 4.469 ( 2.929 0.000 -0.181) 2.935 4.563 ( 4.479 0.000 1.050) 4.601 4.592 ( -2.727 0.000 0.422) 2.760 4.657 ( -1.600 0.000 0.121) 1.605 4.759 ( 3.781 0.000 0.871) 3.880 4.833 ( -0.681 0.000 -1.997) 2.110 4.874 ( -2.611 0.000 2.881) 3.889 4.961 ( 5.743 0.000 -6.128) 8.399 5.029 ( 1.658 0.000 -10.366) 10.498 5.080 ( -0.265 0.000 -1.152) 1.182 5.276 ( -1.364 0.000 -4.149) 4.368 5.302 ( 3.102 0.000 0.590) 3.158 5.626 ( 0.009 0.000 10.260) 10.260 5.660 ( -0.903 0.000 2.024) 2.216 5.683 ( 2.194 0.000 2.662) 3.450 5.898 ( 3.927 0.000 2.566) 4.691 5.903 ( 2.181 0.000 3.639) 4.243 6.045 ( 8.431 0.000 -4.573) 9.591 6.203 ( -0.462 0.000 0.830) 0.950 6.331 ( 2.323 0.000 2.529) 3.433 6.443 ( 3.393 0.000 -2.643) 4.300 6.465 ( 0.059 0.000 -0.201) 0.209 6.669 ( -3.438 0.000 4.188) 5.418 6.737 ( -2.658 0.000 -4.439) 5.174 6.795 ( 1.550 0.000 3.872) 4.171 6.927 ( -2.798 0.000 0.350) 2.820 6.948 ( -8.425 0.000 2.368) 8.751 7.003 ( 1.066 0.000 4.240) 4.372 7.109 ( 1.222 0.000 -5.578) 5.710 7.425 ( -0.537 0.000 -3.664) 3.703 7.633 ( 0.099 0.000 1.388) 1.392 7.701 ( 0.382 0.000 1.052) 1.119 7.738 ( -6.340 0.000 3.273) 7.135 7.840 ( -0.043 0.000 1.170) 1.171 8.091 ( -6.714 0.000 -1.496) 6.879 8.172 ( 2.999 0.000 3.328) 4.480 8.243 ( -2.608 0.000 -4.705) 5.379 8.289 ( 2.060 0.000 -1.781) 2.723 8.624 ( -6.862 0.000 -3.234) 7.586 8.656 ( -1.036 0.000 -2.322) 2.542 8.674 ( 0.898 0.000 -0.614) 1.088 8.736 ( 3.167 0.000 5.146) 6.042 8.914 ( 4.532 0.000 1.574) 4.797 8.965 ( -0.066 0.000 -3.170) 3.171 9.012 ( -3.572 0.000 3.802) 5.217 9.163 ( -9.624 0.000 4.177) 10.491 9.301 ( -5.551 0.000 5.224) 7.623 9.393 ( -3.156 0.000 -1.101) 3.343 9.519 ( -2.033 0.000 -3.863) 4.365 9.573 ( -6.116 0.000 0.110) 6.117 9.747 ( 1.803 0.000 -2.451) 3.043 9.799 ( 6.895 0.000 -0.357) 6.904 9.978 ( 1.637 0.000 -0.399) 1.685 10.017 ( 2.037 0.000 -0.065) 2.038 10.180 ( -2.968 0.000 1.678) 3.410 10.302 ( 3.875 0.000 -0.524) 3.910 10.347 ( -4.645 0.000 -4.750) 6.643 10.370 ( 1.848 0.000 3.871) 4.289 10.528 ( 2.645 0.000 3.784) 4.617 10.536 ( 0.346 0.000 0.859) 0.926 10.619 ( 0.157 0.000 -4.050) 4.053 10.731 ( 9.351 0.000 4.839) 10.529 10.774 ( -1.599 0.000 1.712) 2.343 10.881 ( -3.407 0.000 0.998) 3.550 11.134 ( -0.871 0.000 2.108) 2.281 11.150 ( -0.996 0.000 -3.977) 4.099 11.378 ( -2.004 0.000 0.457) 2.056 11.551 ( -0.997 0.000 -2.626) 2.809 11.632 ( -0.944 0.000 0.427) 1.036 11.669 ( 1.043 0.000 1.331) 1.691 11.880 ( 2.325 0.000 -0.384) 2.357 11.964 ( -3.133 0.000 0.609) 3.192 12.015 ( -0.526 0.000 1.076) 1.198 12.040 ( 7.207 0.000 -3.600) 8.057 12.172 ( -3.784 0.000 4.293) 5.722 12.392 ( 2.155 0.000 -6.233) 6.595 12.528 ( -1.610 0.000 2.410) 2.898 12.632 ( 0.791 0.000 -1.301) 1.523 12.822 ( -8.322 0.000 5.029) 9.724 12.836 ( -2.026 0.000 -0.537) 2.096 13.121 ( -1.780 0.000 -0.202) 1.791 13.201 ( 1.769 0.000 0.807) 1.944 13.841 ( -10.845 0.000 5.848) 12.321 13.865 ( -2.028 0.000 4.110) 4.583 15.993 ( -1.379 0.000 -1.584) 2.100 16.022 ( -0.081 0.000 -1.686) 1.688 16.656 ( 2.382 0.000 1.333) 2.729 16.658 ( 0.213 0.000 1.690) 1.703 17.421 ( 6.434 0.000 4.992) 8.144 17.492 ( 0.967 0.000 -3.188) 3.332 17.804 ( 0.105 0.000 -3.657) 3.658 17.819 ( -0.673 0.000 -4.279) 4.331 18.052 ( -0.877 0.000 5.038) 5.114 18.066 ( 4.187 0.000 6.241) 7.516 18.339 ( -2.626 0.000 -5.529) 6.121 18.457 ( -1.646 0.000 0.512) 1.723 18.644 ( 1.743 0.000 -1.824) 2.523 18.677 ( -6.628 0.000 -6.282) 9.131 18.910 ( -2.128 0.000 3.163) 3.812 18.923 ( -7.397 0.000 -4.134) 8.474 19.551 ( -26.613 0.000 5.367) 27.149 19.574 ( -10.851 0.000 -0.001) 10.851 20.138 ( 1.711 0.000 -3.766) 4.136 20.263 ( 3.517 0.000 2.545) 4.341 20.535 ( 5.621 0.000 4.007) 6.903 20.537 ( 19.444 0.000 -8.240) 21.118 20.751 ( -0.008 0.000 -1.328) 1.328 20.753 ( 2.115 0.000 1.139) 2.402 20.924 ( 6.357 0.000 -5.223) 8.227 21.093 ( 15.674 0.000 5.056) 16.469 21.188 ( 0.203 0.000 1.494) 1.508 21.201 ( 0.180 0.000 -0.013) 0.180 21.230 ( 3.652 0.000 8.990) 9.704 21.416 ( -0.323 0.000 -5.858) 5.867 21.697 ( -0.342 0.000 0.345) 0.486 21.698 ( -5.804 0.000 -2.242) 6.221 22.269 ( 6.482 0.000 5.442) 8.463 22.425 ( -2.651 0.000 -7.805) 8.243 23.215 ( -0.283 0.000 0.229) 0.364 23.242 ( 0.121 0.000 -0.357) 0.376 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 18.259 0.000 10.717) 21.171 1.246 ( 10.924 0.000 -12.717) 16.765 1.265 ( 5.736 0.000 -15.730) 16.743 1.402 ( 16.521 0.000 15.450) 22.619 1.553 ( -4.638 0.000 8.431) 9.623 1.595 ( -2.233 0.000 -0.924) 2.417 1.714 ( -16.820 0.000 -2.707) 17.037 1.845 ( -5.256 0.000 -0.822) 5.320 1.959 ( -0.919 0.000 -14.568) 14.597 2.017 ( -0.988 0.000 0.750) 1.240 2.023 ( -12.068 0.000 1.859) 12.211 2.097 ( -3.073 0.000 -2.441) 3.925 2.124 ( 3.398 0.000 9.908) 10.474 2.258 ( -6.827 0.000 3.797) 7.812 2.334 ( -1.514 0.000 -2.418) 2.853 2.428 ( -7.514 0.000 1.959) 7.765 2.468 ( 0.238 0.000 -0.600) 0.645 2.522 ( -2.159 0.000 -4.750) 5.218 2.616 ( -4.034 0.000 1.537) 4.316 2.645 ( 2.384 0.000 6.039) 6.493 2.745 ( -0.368 0.000 1.493) 1.538 2.852 ( -4.281 0.000 1.418) 4.510 2.858 ( -0.874 0.000 -0.515) 1.015 2.889 ( -5.535 0.000 -2.159) 5.941 3.011 ( 2.111 0.000 4.537) 5.004 3.044 ( -0.008 0.000 -8.120) 8.120 3.088 ( 4.073 0.000 -1.729) 4.425 3.100 ( -0.338 0.000 -0.444) 0.558 3.194 ( -1.096 0.000 0.901) 1.419 3.218 ( 2.755 0.000 -1.396) 3.088 3.248 ( 0.064 0.000 2.584) 2.584 3.294 ( 6.359 0.000 -0.011) 6.359 3.363 ( -7.962 0.000 2.986) 8.504 3.391 ( -3.253 0.000 1.604) 3.627 3.566 ( 3.849 0.000 -0.365) 3.866 3.647 ( 1.306 0.000 -3.961) 4.171 3.647 ( 0.774 0.000 3.284) 3.374 3.717 ( 3.853 0.000 -0.207) 3.858 3.780 ( 3.011 0.000 -6.261) 6.948 3.801 ( 2.116 0.000 -3.436) 4.035 3.850 ( 2.345 0.000 -0.809) 2.481 3.923 ( -6.164 0.000 -1.746) 6.406 3.995 ( 0.906 0.000 0.896) 1.274 4.090 ( -3.592 0.000 3.728) 5.176 4.126 ( -6.334 0.000 -0.830) 6.389 4.174 ( 0.127 0.000 2.786) 2.789 4.266 ( 1.408 0.000 -2.526) 2.892 4.303 ( -2.063 0.000 3.102) 3.725 4.475 ( -0.356 0.000 -0.995) 1.056 4.542 ( -2.841 0.000 1.152) 3.066 4.607 ( 0.824 0.000 2.043) 2.204 4.718 ( 1.378 0.000 -3.117) 3.408 4.777 ( -0.466 0.000 0.263) 0.535 4.823 ( 1.011 0.000 1.958) 2.203 4.843 ( 1.305 0.000 3.128) 3.390 4.919 ( -3.392 0.000 -2.392) 4.150 5.041 ( 2.817 0.000 1.568) 3.224 5.076 ( 0.793 0.000 -1.488) 1.686 5.270 ( 5.176 0.000 -3.053) 6.010 5.352 ( 1.753 0.000 0.594) 1.851 5.634 ( -1.226 0.000 -3.196) 3.423 5.736 ( 1.939 0.000 -1.380) 2.380 5.752 ( -1.137 0.000 9.307) 9.376 5.986 ( 1.843 0.000 0.888) 2.046 5.990 ( 3.694 0.000 0.460) 3.723 6.124 ( 6.152 0.000 -9.618) 11.417 6.236 ( 4.529 0.000 2.907) 5.381 6.362 ( -0.679 0.000 -0.156) 0.696 6.465 ( 1.170 0.000 -1.607) 1.988 6.481 ( 4.286 0.000 -3.440) 5.496 6.644 ( -3.036 0.000 1.654) 3.457 6.704 ( 2.797 0.000 1.283) 3.077 6.754 ( -12.226 0.000 7.624) 14.409 6.872 ( -4.784 0.000 2.010) 5.190 6.874 ( -4.216 0.000 5.752) 7.132 7.029 ( 3.480 0.000 -7.557) 8.320 7.117 ( 0.799 0.000 3.507) 3.597 7.384 ( 0.945 0.000 -4.558) 4.655 7.638 ( -0.771 0.000 0.446) 0.890 7.679 ( -0.611 0.000 -2.736) 2.803 7.709 ( -0.886 0.000 -1.868) 2.067 7.805 ( -2.100 0.000 -2.408) 3.195 7.994 ( -4.540 0.000 3.325) 5.628 8.195 ( -0.219 0.000 1.439) 1.455 8.270 ( 2.309 0.000 3.781) 4.430 8.348 ( 2.547 0.000 1.741) 3.085 8.492 ( -4.189 0.000 -1.400) 4.417 8.601 ( -1.184 0.000 -0.539) 1.301 8.664 ( 0.282 0.000 -2.856) 2.870 8.822 ( 0.217 0.000 3.568) 3.575 8.902 ( -1.692 0.000 -4.056) 4.394 8.962 ( -0.712 0.000 -1.153) 1.355 8.993 ( -0.897 0.000 -0.147) 0.909 9.080 ( -4.149 0.000 3.180) 5.228 9.279 ( -2.190 0.000 2.289) 3.168 9.333 ( -1.005 0.000 -1.297) 1.641 9.453 ( -0.536 0.000 -1.901) 1.975 9.459 ( -5.994 0.000 1.379) 6.151 9.772 ( 1.469 0.000 0.256) 1.491 9.889 ( 4.160 0.000 -0.226) 4.166 9.996 ( 0.878 0.000 -0.190) 0.898 10.055 ( 2.138 0.000 -1.113) 2.410 10.104 ( -6.211 0.000 -0.810) 6.263 10.284 ( 0.947 0.000 0.337) 1.005 10.344 ( 2.687 0.000 -3.176) 4.160 10.421 ( -0.418 0.000 3.500) 3.525 10.495 ( 0.159 0.000 -3.973) 3.976 10.594 ( 0.051 0.000 1.132) 1.133 10.674 ( 4.142 0.000 0.659) 4.194 10.786 ( 1.576 0.000 1.632) 2.269 10.827 ( -1.977 0.000 -1.528) 2.499 10.937 ( 5.503 0.000 3.232) 6.381 11.074 ( -1.454 0.000 -4.210) 4.454 11.147 ( -0.784 0.000 1.843) 2.003 11.358 ( -2.197 0.000 3.718) 4.318 11.527 ( 0.144 0.000 0.804) 0.816 11.620 ( -0.808 0.000 0.396) 0.900 11.706 ( 1.339 0.000 0.387) 1.393 11.914 ( 1.575 0.000 -0.477) 1.645 11.924 ( -2.132 0.000 0.577) 2.209 11.978 ( -3.285 0.000 -2.408) 4.073 12.118 ( 5.333 0.000 -2.692) 5.974 12.129 ( -4.306 0.000 3.388) 5.479 12.345 ( 2.386 0.000 -8.979) 9.290 12.521 ( -1.650 0.000 1.794) 2.437 12.628 ( 1.170 0.000 -2.341) 2.617 12.753 ( -6.352 0.000 5.429) 8.356 12.795 ( -1.108 0.000 -0.912) 1.434 13.093 ( -0.998 0.000 0.039) 0.999 13.223 ( 0.731 0.000 -1.210) 1.414 13.769 ( -4.040 0.000 2.392) 4.695 13.853 ( -3.585 0.000 2.797) 4.547 15.971 ( -0.368 0.000 0.629) 0.729 16.012 ( 0.193 0.000 0.134) 0.235 16.665 ( -0.135 0.000 -1.024) 1.033 16.689 ( 0.888 0.000 -0.801) 1.196 17.547 ( 5.703 0.000 1.058) 5.800 17.616 ( 7.366 0.000 6.441) 9.785 17.752 ( -2.563 0.000 -2.092) 3.309 17.782 ( -1.215 0.000 0.675) 1.390 17.945 ( -7.057 0.000 -2.462) 7.474 18.175 ( 5.276 0.000 -4.298) 6.805 18.323 ( 6.707 0.000 -4.803) 8.249 18.468 ( -2.310 0.000 9.084) 9.373 18.550 ( -4.119 0.000 0.351) 4.134 18.603 ( -3.993 0.000 -4.973) 6.378 18.797 ( -7.538 0.000 0.010) 7.538 18.871 ( 3.573 0.000 0.449) 3.601 19.257 ( -17.787 0.000 -4.605) 18.373 19.298 ( -11.989 0.000 6.250) 13.520 20.186 ( 5.254 0.000 -1.521) 5.470 20.358 ( 6.139 0.000 -2.137) 6.500 20.689 ( 5.067 0.000 4.119) 6.530 20.697 ( 5.666 0.000 -0.263) 5.672 20.797 ( 1.041 0.000 1.129) 1.536 20.830 ( 4.973 0.000 3.286) 5.960 20.951 ( 7.736 0.000 -9.063) 11.916 21.168 ( -1.942 0.000 -1.199) 2.282 21.195 ( -0.209 0.000 0.174) 0.272 21.203 ( 0.119 0.000 -0.125) 0.173 21.331 ( -0.507 0.000 -7.496) 7.514 21.483 ( 3.208 0.000 5.054) 5.986 21.577 ( -6.852 0.000 2.667) 7.353 21.791 ( 6.154 0.000 5.030) 7.948 22.284 ( -1.614 0.000 -5.728) 5.951 22.401 ( 2.478 0.000 3.866) 4.592 23.213 ( -0.237 0.000 0.254) 0.347 23.240 ( 0.106 0.000 -0.306) 0.324 ======================= Grid point 52 (20/64) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 1.884 0.000 -10.397) 10.566 1.264 ( -15.828 0.000 -7.684) 17.595 1.288 ( 0.446 0.000 -11.479) 11.487 1.421 ( -3.165 0.000 -12.499) 12.894 1.504 ( 17.695 0.000 10.536) 20.594 1.639 ( -3.543 0.000 -0.940) 3.666 1.652 ( -0.543 0.000 7.997) 8.015 1.748 ( -8.371 0.000 -4.174) 9.354 1.904 ( 3.294 0.000 5.247) 6.195 1.906 ( -10.721 0.000 -6.223) 12.396 1.966 ( 12.856 0.000 12.264) 17.768 2.065 ( 3.709 0.000 2.569) 4.512 2.174 ( -7.888 0.000 0.660) 7.916 2.283 ( -0.441 0.000 -5.392) 5.410 2.335 ( 2.728 0.000 0.798) 2.843 2.347 ( 4.585 0.000 8.121) 9.326 2.465 ( 0.929 0.000 -0.594) 1.103 2.468 ( -0.072 0.000 -3.141) 3.141 2.594 ( -1.365 0.000 0.169) 1.376 2.670 ( -3.269 0.000 -3.722) 4.954 2.690 ( -3.815 0.000 2.366) 4.489 2.779 ( -0.837 0.000 -6.649) 6.701 2.786 ( -3.598 0.000 -6.749) 7.648 2.856 ( 1.454 0.000 1.517) 2.101 2.936 ( -7.448 0.000 -5.211) 9.090 3.032 ( 3.251 0.000 1.920) 3.775 3.083 ( 2.581 0.000 -2.846) 3.842 3.151 ( 6.044 0.000 -2.117) 6.404 3.206 ( -2.526 0.000 1.573) 2.975 3.250 ( -0.985 0.000 -1.228) 1.575 3.278 ( -0.740 0.000 3.098) 3.185 3.314 ( -0.730 0.000 -1.463) 1.635 3.355 ( 0.096 0.000 6.302) 6.303 3.416 ( 3.795 0.000 4.065) 5.561 3.585 ( 0.296 0.000 -1.054) 1.095 3.645 ( -3.476 0.000 3.948) 5.260 3.682 ( 4.741 0.000 1.415) 4.947 3.752 ( 1.633 0.000 -2.472) 2.963 3.775 ( 3.856 0.000 -4.236) 5.728 3.784 ( -0.067 0.000 -6.006) 6.006 3.872 ( 1.619 0.000 -2.264) 2.783 3.942 ( -0.202 0.000 -0.699) 0.727 4.004 ( -0.602 0.000 1.798) 1.896 4.032 ( -4.619 0.000 2.285) 5.153 4.034 ( 2.801 0.000 3.280) 4.313 4.197 ( -2.969 0.000 0.505) 3.011 4.300 ( 4.115 0.000 1.150) 4.273 4.370 ( 0.732 0.000 8.370) 8.402 4.475 ( 1.138 0.000 -0.325) 1.183 4.556 ( 0.588 0.000 4.234) 4.275 4.632 ( -2.607 0.000 4.713) 5.386 4.679 ( 3.378 0.000 -4.701) 5.789 4.815 ( -5.637 0.000 0.903) 5.709 4.815 ( 1.442 0.000 3.037) 3.362 4.921 ( -0.676 0.000 5.250) 5.293 4.965 ( 6.114 0.000 7.076) 9.351 5.059 ( 0.561 0.000 -0.971) 1.121 5.130 ( 2.202 0.000 4.933) 5.402 5.351 ( 4.913 0.000 -0.444) 4.933 5.367 ( -0.713 0.000 -0.168) 0.733 5.533 ( -2.906 0.000 -6.768) 7.365 5.700 ( -1.154 0.000 -6.112) 6.220 5.768 ( -4.422 0.000 3.425) 5.593 5.938 ( -2.501 0.000 -4.829) 5.438 5.999 ( -1.791 0.000 -3.075) 3.559 6.107 ( 3.981 0.000 -10.566) 11.291 6.333 ( -0.605 0.000 -1.850) 1.946 6.348 ( 2.345 0.000 3.255) 4.012 6.474 ( 1.535 0.000 -2.314) 2.777 6.488 ( 0.319 0.000 -1.560) 1.592 6.646 ( -9.906 0.000 9.193) 13.514 6.694 ( 3.302 0.000 5.184) 6.147 6.787 ( -0.636 0.000 1.275) 1.425 6.825 ( -0.196 0.000 5.510) 5.514 6.855 ( -4.939 0.000 6.138) 7.878 7.015 ( 3.822 0.000 -5.577) 6.761 7.154 ( -0.454 0.000 1.860) 1.915 7.353 ( 1.787 0.000 -4.927) 5.241 7.595 ( -2.849 0.000 -9.562) 9.977 7.620 ( -0.490 0.000 -1.371) 1.456 7.652 ( 0.295 0.000 -4.543) 4.552 7.740 ( 1.086 0.000 -6.374) 6.466 8.013 ( 0.094 0.000 6.626) 6.627 8.253 ( 0.955 0.000 6.222) 6.294 8.268 ( -4.028 0.000 -2.199) 4.589 8.374 ( -1.004 0.000 1.409) 1.730 8.490 ( 3.305 0.000 5.472) 6.393 8.631 ( 0.709 0.000 -3.934) 3.997 8.658 ( 1.740 0.000 4.607) 4.925 8.819 ( -3.251 0.000 1.301) 3.501 8.840 ( 1.317 0.000 -4.300) 4.497 8.890 ( -2.652 0.000 -4.581) 5.293 8.984 ( 1.529 0.000 -2.093) 2.592 9.019 ( -3.400 0.000 -3.152) 4.636 9.275 ( -1.034 0.000 1.834) 2.106 9.339 ( 1.574 0.000 0.415) 1.628 9.408 ( -1.424 0.000 2.047) 2.494 9.480 ( 2.932 0.000 1.866) 3.475 9.799 ( 0.509 0.000 1.561) 1.642 9.937 ( -1.733 0.000 -0.829) 1.921 9.963 ( 1.630 0.000 -3.261) 3.645 10.055 ( 0.152 0.000 -2.689) 2.693 10.079 ( 1.545 0.000 4.544) 4.800 10.309 ( -0.054 0.000 1.509) 1.510 10.327 ( -0.105 0.000 -3.502) 3.504 10.430 ( -0.801 0.000 -0.487) 0.938 10.480 ( 2.535 0.000 -3.190) 4.075 10.567 ( -2.672 0.000 -0.671) 2.754 10.735 ( 0.861 0.000 0.836) 1.200 10.776 ( -2.961 0.000 -3.138) 4.314 10.788 ( -0.625 0.000 -0.385) 0.734 10.927 ( -3.897 0.000 -4.336) 5.830 11.099 ( 5.086 0.000 2.046) 5.482 11.136 ( -2.190 0.000 0.389) 2.224 11.396 ( -0.122 0.000 7.087) 7.088 11.577 ( 0.497 0.000 5.376) 5.399 11.616 ( -0.239 0.000 0.696) 0.736 11.697 ( -1.620 0.000 -2.162) 2.701 11.901 ( -0.924 0.000 0.203) 0.946 11.903 ( 1.968 0.000 -3.026) 3.610 11.939 ( 1.925 0.000 -2.013) 2.785 12.090 ( -4.551 0.000 2.215) 5.061 12.171 ( 2.939 0.000 -1.008) 3.107 12.278 ( 3.829 0.000 -12.916) 13.472 12.511 ( -1.079 0.000 0.599) 1.234 12.626 ( 1.534 0.000 -2.388) 2.838 12.703 ( -5.618 0.000 4.515) 7.208 12.790 ( 1.176 0.000 0.100) 1.180 13.090 ( 0.224 0.000 0.634) 0.672 13.203 ( -0.075 0.000 -3.034) 3.035 13.729 ( -2.627 0.000 0.911) 2.780 13.819 ( -1.761 0.000 0.520) 1.836 15.994 ( 0.594 0.000 2.888) 2.949 16.035 ( 0.711 0.000 2.150) 2.265 16.630 ( -0.495 0.000 -3.573) 3.607 16.669 ( -0.305 0.000 -3.470) 3.484 17.623 ( -0.897 0.000 1.503) 1.750 17.673 ( -5.574 0.000 1.635) 5.809 17.784 ( 2.302 0.000 3.894) 4.523 17.802 ( 4.173 0.000 5.908) 7.233 17.930 ( 1.627 0.000 2.638) 3.100 18.125 ( -0.891 0.000 -11.161) 11.197 18.418 ( 6.656 0.000 -1.393) 6.800 18.430 ( -6.167 0.000 1.487) 6.344 18.520 ( -0.832 0.000 4.002) 4.088 18.613 ( 7.438 0.000 4.311) 8.597 18.737 ( -1.110 0.000 -0.152) 1.121 18.925 ( -10.469 0.000 -5.759) 11.948 19.036 ( 12.910 0.000 1.023) 12.950 19.133 ( -9.238 0.000 -3.064) 9.733 20.277 ( 2.859 0.000 3.738) 4.706 20.443 ( 2.739 0.000 0.969) 2.905 20.734 ( -4.152 0.000 0.306) 4.163 20.762 ( 0.757 0.000 -0.145) 0.771 20.802 ( -3.841 0.000 -0.364) 3.858 20.809 ( -0.774 0.000 1.024) 1.283 21.099 ( -0.681 0.000 -4.416) 4.468 21.149 ( 11.388 0.000 0.055) 11.388 21.192 ( -0.115 0.000 -0.029) 0.119 21.203 ( 0.280 0.000 -0.466) 0.544 21.264 ( 5.338 0.000 -4.379) 6.904 21.493 ( -5.617 0.000 -0.533) 5.643 21.524 ( -3.378 0.000 3.826) 5.104 21.742 ( -5.627 0.000 -7.793) 9.612 22.369 ( 6.319 0.000 6.899) 9.355 22.451 ( -1.401 0.000 3.568) 3.833 23.213 ( -0.119 0.000 0.308) 0.330 23.238 ( 0.103 0.000 -0.393) 0.406 ======================= Grid point 53 (21/64) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -21.095 0.000 -6.782) 22.158 0.909 ( -21.141 0.000 -8.637) 22.838 1.177 ( -2.709 0.000 -5.480) 6.113 1.263 ( -4.223 0.000 -11.102) 11.878 1.421 ( -24.788 0.000 -8.682) 26.264 1.515 ( -2.496 0.000 0.568) 2.560 1.802 ( 3.076 0.000 7.900) 8.478 1.803 ( 0.547 0.000 12.643) 12.654 1.888 ( 13.615 0.000 4.507) 14.342 2.051 ( 7.975 0.000 -2.053) 8.235 2.112 ( 2.566 0.000 -0.283) 2.582 2.167 ( 0.010 0.000 -3.195) 3.195 2.260 ( 7.031 0.000 6.360) 9.481 2.314 ( -3.683 0.000 -2.896) 4.685 2.365 ( 9.367 0.000 6.061) 11.157 2.407 ( 1.271 0.000 -4.466) 4.643 2.493 ( 2.440 0.000 -1.037) 2.651 2.494 ( 4.359 0.000 -3.354) 5.500 2.588 ( 3.633 0.000 1.413) 3.898 2.603 ( 4.510 0.000 -9.165) 10.215 2.688 ( 0.190 0.000 0.013) 0.191 2.736 ( 8.982 0.000 2.981) 9.463 2.785 ( 4.562 0.000 3.260) 5.607 2.802 ( -0.913 0.000 -2.621) 2.776 2.897 ( -1.660 0.000 1.910) 2.531 3.075 ( 0.520 0.000 -2.736) 2.785 3.083 ( 1.193 0.000 -3.229) 3.443 3.212 ( 0.083 0.000 3.117) 3.119 3.218 ( -0.811 0.000 3.080) 3.185 3.243 ( 5.838 0.000 -3.139) 6.628 3.281 ( 0.104 0.000 -1.265) 1.269 3.344 ( 2.034 0.000 -1.225) 2.374 3.417 ( 0.754 0.000 6.781) 6.823 3.492 ( 0.011 0.000 1.228) 1.228 3.530 ( -3.868 0.000 0.283) 3.878 3.589 ( -5.025 0.000 0.750) 5.081 3.714 ( -2.199 0.000 -0.941) 2.392 3.756 ( 1.329 0.000 -1.362) 1.904 3.773 ( 3.835 0.000 -2.941) 4.833 3.837 ( 2.273 0.000 -6.645) 7.023 3.859 ( 7.176 0.000 0.857) 7.227 3.913 ( -2.938 0.000 2.829) 4.078 3.997 ( -3.434 0.000 5.427) 6.422 4.038 ( -0.878 0.000 -6.050) 6.114 4.047 ( -0.734 0.000 3.342) 3.422 4.241 ( 1.934 0.000 6.055) 6.356 4.372 ( 3.503 0.000 -1.971) 4.020 4.465 ( 1.818 0.000 -0.973) 2.062 4.517 ( 3.697 0.000 2.740) 4.602 4.563 ( -2.704 0.000 -4.361) 5.131 4.634 ( -4.106 0.000 6.074) 7.331 4.745 ( 5.355 0.000 1.595) 5.587 4.764 ( -6.538 0.000 -5.338) 8.440 4.803 ( -0.578 0.000 11.456) 11.471 4.939 ( -0.167 0.000 4.838) 4.840 5.111 ( -0.156 0.000 3.337) 3.340 5.154 ( 5.093 0.000 3.291) 6.064 5.202 ( 1.902 0.000 0.847) 2.082 5.306 ( -3.668 0.000 -4.110) 5.509 5.391 ( 1.481 0.000 -5.078) 5.290 5.453 ( 0.155 0.000 0.063) 0.168 5.601 ( -0.576 0.000 -5.599) 5.629 5.719 ( -3.887 0.000 3.192) 5.030 5.859 ( -2.166 0.000 0.597) 2.246 5.890 ( -4.299 0.000 -4.081) 5.927 6.028 ( 0.149 0.000 -8.652) 8.654 6.299 ( -1.653 0.000 -0.934) 1.898 6.353 ( -5.564 0.000 1.621) 5.795 6.453 ( -1.060 0.000 0.359) 1.120 6.463 ( -1.326 0.000 -1.554) 2.043 6.611 ( -0.628 0.000 0.237) 0.671 6.745 ( -4.488 0.000 4.379) 6.271 6.818 ( 2.869 0.000 4.586) 5.410 6.860 ( -3.479 0.000 9.400) 10.023 6.930 ( 1.893 0.000 3.969) 4.397 7.021 ( -0.911 0.000 0.224) 0.939 7.166 ( 2.290 0.000 -0.968) 2.486 7.358 ( -6.944 0.000 -15.901) 17.351 7.363 ( 4.627 0.000 -1.987) 5.035 7.596 ( 0.306 0.000 -2.188) 2.209 7.628 ( 1.454 0.000 -2.530) 2.918 7.713 ( 4.107 0.000 -7.301) 8.377 8.132 ( 3.679 0.000 7.565) 8.412 8.165 ( -3.177 0.000 -2.526) 4.059 8.340 ( 0.701 0.000 5.401) 5.446 8.373 ( -1.054 0.000 1.862) 2.140 8.607 ( 0.283 0.000 -2.096) 2.116 8.664 ( 5.379 0.000 8.567) 10.116 8.673 ( -0.310 0.000 -1.822) 1.849 8.753 ( -3.354 0.000 -1.736) 3.776 8.787 ( -1.878 0.000 -4.792) 5.147 8.881 ( 4.051 0.000 -0.119) 4.053 8.910 ( -3.223 0.000 -4.673) 5.677 8.998 ( 1.292 0.000 -0.384) 1.348 9.270 ( -1.168 0.000 0.623) 1.324 9.363 ( 0.575 0.000 1.007) 1.160 9.465 ( 5.385 0.000 -0.339) 5.396 9.567 ( 3.976 0.000 1.934) 4.422 9.833 ( 0.268 0.000 3.043) 3.054 9.866 ( -2.583 0.000 -1.917) 3.217 9.988 ( 2.652 0.000 -2.319) 3.523 10.014 ( -0.298 0.000 -2.364) 2.383 10.189 ( 2.129 0.000 8.427) 8.692 10.271 ( -1.006 0.000 -4.004) 4.128 10.335 ( 2.525 0.000 -0.282) 2.541 10.379 ( -2.836 0.000 -2.114) 3.537 10.474 ( -4.590 0.000 -5.015) 6.799 10.499 ( 1.116 0.000 0.263) 1.147 10.654 ( -3.940 0.000 -3.893) 5.539 10.699 ( -3.764 0.000 -0.630) 3.817 10.813 ( 0.268 0.000 3.391) 3.401 10.834 ( -2.596 0.000 -0.153) 2.600 11.073 ( -3.455 0.000 -2.367) 4.188 11.204 ( 2.836 0.000 1.685) 3.299 11.508 ( 1.625 0.000 9.838) 9.971 11.623 ( -0.456 0.000 -0.224) 0.508 11.628 ( 0.437 0.000 1.148) 1.228 11.646 ( -1.211 0.000 2.278) 2.580 11.889 ( 0.351 0.000 -1.840) 1.873 11.945 ( 4.014 0.000 -2.797) 4.893 11.965 ( 1.800 0.000 1.215) 2.171 12.011 ( -3.841 0.000 -1.253) 4.041 12.176 ( 3.937 0.000 -18.602) 19.014 12.197 ( -0.214 0.000 0.890) 0.915 12.497 ( -0.715 0.000 0.140) 0.729 12.625 ( 0.990 0.000 -1.859) 2.106 12.661 ( -4.347 0.000 4.636) 6.355 12.827 ( 1.854 0.000 0.736) 1.995 13.113 ( 1.123 0.000 1.012) 1.512 13.165 ( -0.111 0.000 -2.821) 2.823 13.706 ( -2.075 0.000 3.615) 4.168 13.807 ( 0.198 0.000 -0.176) 0.265 16.045 ( 0.739 0.000 3.103) 3.190 16.068 ( 0.215 0.000 1.449) 1.465 16.589 ( 0.298 0.000 -2.372) 2.390 16.612 ( -0.497 0.000 -4.349) 4.378 17.588 ( -6.928 0.000 4.750) 8.400 17.640 ( -1.504 0.000 6.952) 7.113 17.886 ( 2.730 0.000 1.521) 3.125 17.892 ( 1.022 0.000 2.172) 2.401 17.935 ( -1.326 0.000 -2.581) 2.901 17.976 ( -3.361 0.000 -5.471) 6.421 18.373 ( -1.993 0.000 -3.361) 3.907 18.405 ( -3.195 0.000 -0.181) 3.200 18.701 ( 8.507 0.000 6.369) 10.627 18.706 ( -0.187 0.000 -3.635) 3.640 18.822 ( 5.732 0.000 2.278) 6.168 18.836 ( 6.691 0.000 -1.171) 6.793 18.958 ( 2.201 0.000 -6.060) 6.447 19.328 ( 17.147 0.000 1.075) 17.181 20.303 ( -6.130 0.000 2.837) 6.754 20.359 ( -10.585 0.000 -4.152) 11.370 20.630 ( -6.753 0.000 1.885) 7.011 20.782 ( 1.045 0.000 2.599) 2.801 20.783 ( -2.121 0.000 0.252) 2.136 20.803 ( 2.429 0.000 2.778) 3.690 21.038 ( -1.414 0.000 -5.483) 5.662 21.151 ( -1.166 0.000 -3.140) 3.349 21.171 ( -7.368 0.000 -4.697) 8.738 21.198 ( 0.059 0.000 -0.301) 0.306 21.215 ( -7.824 0.000 -4.581) 9.067 21.500 ( 1.869 0.000 4.620) 4.984 21.580 ( 13.539 0.000 3.839) 14.073 21.676 ( 1.453 0.000 -0.620) 1.580 22.437 ( -4.253 0.000 3.160) 5.298 22.519 ( 2.922 0.000 3.730) 4.738 23.215 ( -0.066 0.000 0.365) 0.370 23.234 ( 0.071 0.000 -0.626) 0.630 ======================= Grid point 54 (22/64) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( -20.170 0.000 2.878) 20.374 0.456 ( -22.936 0.000 3.989) 23.280 0.719 ( -33.596 0.000 11.988) 35.671 1.100 ( -5.346 0.000 0.501) 5.370 1.277 ( 0.844 0.000 3.853) 3.944 1.549 ( 1.330 0.000 4.728) 4.911 1.910 ( -3.769 0.000 0.753) 3.844 1.937 ( 2.971 0.000 -3.538) 4.620 1.977 ( 1.394 0.000 -1.342) 1.935 2.001 ( -0.396 0.000 0.529) 0.660 2.193 ( 5.878 0.000 -2.996) 6.598 2.273 ( 6.855 0.000 1.476) 7.012 2.317 ( 5.416 0.000 -0.275) 5.423 2.351 ( 4.170 0.000 -4.980) 6.495 2.399 ( 1.142 0.000 2.636) 2.873 2.481 ( 2.083 0.000 1.126) 2.368 2.513 ( 4.938 0.000 -3.834) 6.252 2.550 ( 3.166 0.000 1.246) 3.402 2.637 ( -0.746 0.000 2.482) 2.592 2.766 ( 0.755 0.000 -0.123) 0.765 2.787 ( 6.066 0.000 2.586) 6.595 2.818 ( 5.748 0.000 0.490) 5.769 2.852 ( -1.220 0.000 4.238) 4.410 2.923 ( 13.547 0.000 2.725) 13.818 2.987 ( 6.182 0.000 -0.369) 6.193 3.068 ( 0.544 0.000 -1.413) 1.514 3.075 ( 2.380 0.000 -0.376) 2.409 3.198 ( -5.193 0.000 1.628) 5.442 3.246 ( 3.177 0.000 -2.452) 4.013 3.285 ( -0.379 0.000 2.378) 2.408 3.292 ( -5.796 0.000 -3.204) 6.622 3.307 ( 5.804 0.000 -2.752) 6.423 3.359 ( -8.018 0.000 -1.677) 8.192 3.486 ( 4.979 0.000 -2.377) 5.517 3.568 ( 0.104 0.000 0.163) 0.194 3.603 ( 5.428 0.000 5.134) 7.471 3.650 ( -5.815 0.000 2.163) 6.205 3.751 ( -0.274 0.000 -2.409) 2.424 3.790 ( -2.900 0.000 -0.753) 2.996 3.864 ( 4.758 0.000 -3.068) 5.662 3.880 ( 1.630 0.000 -0.332) 1.664 3.992 ( 3.056 0.000 1.872) 3.584 4.000 ( 5.208 0.000 -1.966) 5.567 4.015 ( -3.649 0.000 6.458) 7.417 4.037 ( -1.111 0.000 2.874) 3.081 4.278 ( -6.001 0.000 0.523) 6.024 4.356 ( 2.320 0.000 -3.511) 4.208 4.395 ( -2.642 0.000 -11.538) 11.836 4.490 ( 0.803 0.000 -2.290) 2.427 4.515 ( -1.576 0.000 -0.687) 1.720 4.606 ( -1.119 0.000 3.913) 4.070 4.760 ( 2.391 0.000 4.517) 5.111 4.811 ( -12.815 0.000 -29.318) 31.996 4.880 ( -6.476 0.000 -11.566) 13.255 4.942 ( -1.106 0.000 0.243) 1.132 4.990 ( -0.563 0.000 2.991) 3.044 5.089 ( -2.272 0.000 -2.650) 3.491 5.180 ( 0.695 0.000 -3.667) 3.732 5.184 ( -2.376 0.000 -2.307) 3.312 5.370 ( 0.755 0.000 -0.242) 0.792 5.504 ( 0.294 0.000 4.788) 4.797 5.584 ( 1.676 0.000 -0.367) 1.715 5.708 ( -3.532 0.000 4.568) 5.774 5.794 ( -2.491 0.000 -0.139) 2.494 5.915 ( -2.448 0.000 1.737) 3.002 5.990 ( 5.936 0.000 3.023) 6.661 6.245 ( -6.525 0.000 1.392) 6.672 6.257 ( -2.084 0.000 0.545) 2.154 6.421 ( -0.313 0.000 -2.241) 2.263 6.446 ( 1.069 0.000 -1.682) 1.993 6.620 ( 3.262 0.000 -1.274) 3.502 6.726 ( -3.764 0.000 4.534) 5.892 6.870 ( -2.052 0.000 2.580) 3.296 6.963 ( 0.970 0.000 -0.703) 1.198 6.967 ( -1.934 0.000 0.020) 1.934 7.006 ( -1.135 0.000 5.539) 5.654 7.135 ( 0.652 0.000 6.960) 6.991 7.304 ( 11.018 0.000 29.809) 31.780 7.458 ( 4.420 0.000 0.810) 4.493 7.593 ( 1.560 0.000 -1.206) 1.972 7.641 ( 1.447 0.000 -0.047) 1.448 7.713 ( 3.602 0.000 -3.937) 5.336 8.110 ( -0.869 0.000 -0.882) 1.238 8.277 ( 2.266 0.000 5.583) 6.025 8.365 ( -0.857 0.000 -1.016) 1.329 8.369 ( -1.540 0.000 0.430) 1.599 8.575 ( -1.125 0.000 -1.722) 2.057 8.653 ( 1.060 0.000 -1.805) 2.093 8.688 ( -0.371 0.000 0.017) 0.371 8.767 ( 1.011 0.000 -2.289) 2.502 8.832 ( 2.233 0.000 4.993) 5.469 8.853 ( 2.827 0.000 9.270) 9.692 8.929 ( 2.030 0.000 -0.227) 2.043 9.011 ( -0.913 0.000 1.815) 2.032 9.256 ( -0.844 0.000 0.835) 1.188 9.398 ( 2.594 0.000 0.193) 2.601 9.545 ( 4.431 0.000 -1.654) 4.729 9.653 ( 3.653 0.000 -0.417) 3.677 9.808 ( -1.429 0.000 -1.252) 1.900 9.837 ( -2.013 0.000 0.259) 2.029 9.975 ( -1.412 0.000 -5.081) 5.274 10.056 ( 4.555 0.000 1.865) 4.922 10.206 ( -0.393 0.000 -6.257) 6.270 10.271 ( -0.252 0.000 -3.435) 3.444 10.288 ( -4.803 0.000 -0.396) 4.820 10.362 ( -1.845 0.000 0.823) 2.020 10.461 ( 6.676 0.000 8.967) 11.179 10.512 ( -2.117 0.000 2.036) 2.937 10.576 ( -1.944 0.000 -1.147) 2.257 10.672 ( 1.300 0.000 15.508) 15.563 10.812 ( -0.190 0.000 -0.624) 0.652 10.849 ( -0.530 0.000 2.499) 2.554 10.979 ( -2.427 0.000 -2.459) 3.455 11.225 ( -0.835 0.000 -0.160) 0.850 11.608 ( 1.321 0.000 -2.281) 2.636 11.633 ( 0.501 0.000 2.798) 2.842 11.664 ( -0.390 0.000 0.949) 1.026 11.676 ( 0.060 0.000 3.596) 3.596 11.843 ( 0.867 0.000 -8.442) 8.486 11.904 ( -4.903 0.000 0.576) 4.937 11.975 ( 1.506 0.000 0.005) 1.506 12.008 ( -0.868 0.000 -6.782) 6.838 12.058 ( 4.291 0.000 1.341) 4.496 12.198 ( -0.279 0.000 3.255) 3.267 12.498 ( 0.198 0.000 1.061) 1.079 12.623 ( 0.674 0.000 -1.023) 1.225 12.684 ( 1.048 0.000 8.203) 8.269 12.859 ( 0.765 0.000 0.585) 0.963 13.143 ( 0.715 0.000 0.894) 1.145 13.145 ( 0.606 0.000 -1.257) 1.395 13.817 ( 7.019 0.000 18.392) 19.685 13.818 ( 0.662 0.000 0.594) 0.890 16.068 ( -0.269 0.000 -0.443) 0.519 16.068 ( -0.177 0.000 -1.177) 1.190 16.573 ( -0.260 0.000 -1.615) 1.636 16.594 ( 0.788 0.000 1.080) 1.337 17.588 ( 0.200 0.000 4.567) 4.571 17.679 ( -3.788 0.000 3.104) 4.897 17.856 ( 0.357 0.000 -1.579) 1.619 17.883 ( -2.002 0.000 -1.462) 2.479 17.905 ( -1.091 0.000 -1.522) 1.873 17.917 ( -0.963 0.000 1.005) 1.392 18.142 ( -11.119 0.000 -17.058) 20.362 18.400 ( 0.355 0.000 2.415) 2.441 18.652 ( 0.707 0.000 -4.241) 4.300 18.800 ( -1.579 0.000 0.349) 1.618 18.855 ( 4.852 0.000 1.581) 5.103 19.064 ( 14.814 0.000 -1.932) 14.940 19.192 ( 14.672 0.000 9.564) 17.514 19.587 ( 5.702 0.000 1.824) 5.986 20.082 ( -11.569 0.000 -3.722) 12.153 20.215 ( 0.044 0.000 0.876) 0.877 20.476 ( -11.289 0.000 -0.679) 11.309 20.673 ( -9.618 0.000 -2.862) 10.035 20.789 ( -0.290 0.000 0.225) 0.367 20.910 ( 1.527 0.000 -0.290) 1.554 20.956 ( -0.860 0.000 0.591) 1.044 20.985 ( -1.833 0.000 -0.732) 1.973 21.127 ( 2.191 0.000 -0.593) 2.270 21.195 ( -0.068 0.000 0.106) 0.126 21.197 ( 0.087 0.000 0.046) 0.098 21.526 ( -1.364 0.000 2.886) 3.192 21.703 ( 1.433 0.000 -0.256) 1.456 21.879 ( 10.998 0.000 1.543) 11.106 22.316 ( -10.630 0.000 -13.056) 16.837 22.563 ( 0.512 0.000 -0.816) 0.963 23.218 ( -0.139 0.000 0.322) 0.351 23.228 ( 0.084 0.000 -0.106) 0.135 ======================= Grid point 55 (23/64) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -4.437 20.929 11.497) 24.288 0.792 ( 3.911 15.862 24.907) 29.787 1.056 ( 1.610 3.737 7.883) 8.871 1.246 ( 6.546 35.112 19.723) 40.800 1.642 ( 0.382 17.672 2.192) 17.811 1.702 ( -3.593 8.435 -7.329) 11.738 1.927 ( -1.523 8.331 -6.622) 10.751 2.106 ( 4.259 0.134 4.866) 6.468 2.173 ( -0.172 4.822 2.181) 5.295 2.198 ( 0.924 9.242 -3.136) 9.803 2.218 ( -0.967 1.978 -2.893) 3.635 2.294 ( -2.463 2.999 -6.713) 7.754 2.385 ( -1.418 1.553 1.128) 2.386 2.397 ( 0.485 3.444 -8.643) 9.317 2.428 ( -0.368 1.635 3.409) 3.798 2.516 ( 0.578 0.224 -0.077) 0.624 2.584 ( -4.221 2.079 -6.710) 8.195 2.626 ( 0.354 1.450 -0.584) 1.602 2.695 ( 1.990 -3.587 1.153) 4.261 2.752 ( -1.858 2.601 0.540) 3.242 2.824 ( 0.233 1.232 -0.660) 1.417 2.857 ( 0.295 1.279 2.725) 3.025 2.919 ( -6.089 -3.082 -2.135) 7.150 2.996 ( 8.667 2.818 -1.001) 9.169 3.027 ( -0.180 -2.368 -2.211) 3.245 3.076 ( -0.759 0.046 -3.745) 3.822 3.132 ( 4.284 -4.484 -3.379) 7.062 3.152 ( 2.659 8.659 -0.387) 9.066 3.174 ( 3.102 1.640 -1.808) 3.947 3.224 ( 1.084 -1.977 -0.770) 2.383 3.317 ( -2.905 6.528 5.165) 8.817 3.365 ( 0.311 1.675 -2.413) 2.954 3.400 ( -5.483 7.794 1.579) 9.659 3.504 ( -8.574 -3.930 -6.906) 11.690 3.577 ( 3.158 4.900 -2.319) 6.274 3.655 ( 1.806 1.943 -0.258) 2.665 3.661 ( -1.756 6.390 0.086) 6.627 3.792 ( 1.949 5.143 -0.899) 5.573 3.835 ( -3.694 11.108 2.124) 11.897 3.844 ( -0.969 2.383 -0.997) 2.759 3.959 ( -0.106 5.798 -0.176) 5.802 3.983 ( 3.116 4.391 -0.878) 5.456 4.091 ( -0.329 3.646 -2.510) 4.438 4.191 ( 3.883 1.661 -0.826) 4.303 4.207 ( -1.232 6.242 1.988) 6.666 4.249 ( -1.901 7.581 -0.853) 7.862 4.365 ( -0.983 8.783 0.892) 8.882 4.461 ( 0.971 10.393 0.684) 10.461 4.551 ( 4.602 3.226 -3.862) 6.819 4.570 ( -1.016 10.342 -1.749) 10.538 4.608 ( 3.100 -4.934 4.777) 7.535 4.678 ( -3.598 4.083 -0.274) 5.449 4.776 ( -0.645 -1.327 -0.441) 1.541 4.822 ( -3.043 6.316 -3.593) 7.878 4.899 ( 1.837 -1.118 1.447) 2.592 4.912 ( 2.209 3.227 -4.044) 5.625 5.037 ( 2.078 -3.218 -3.984) 5.527 5.120 ( -1.017 -1.718 -4.536) 4.956 5.317 ( 0.437 2.766 2.697) 3.888 5.400 ( -1.097 3.642 -1.960) 4.279 5.516 ( -0.022 -2.301 1.015) 2.515 5.536 ( -0.303 -4.069 -1.590) 4.379 5.764 ( -1.079 1.623 5.711) 6.034 5.805 ( 1.267 3.087 4.214) 5.376 5.831 ( 2.594 -2.323 -0.191) 3.488 6.055 ( -3.085 2.702 -3.432) 5.348 6.138 ( 0.323 -4.533 3.254) 5.589 6.270 ( 0.678 1.571 3.742) 4.115 6.402 ( 0.280 -1.787 -2.085) 2.760 6.508 ( 1.788 1.239 -2.009) 2.961 6.683 ( -3.408 1.356 2.087) 4.220 6.778 ( 2.991 -1.747 0.122) 3.466 6.844 ( -1.991 3.205 0.611) 3.822 6.875 ( -1.390 0.847 -2.144) 2.692 6.995 ( 1.753 -1.966 -1.822) 3.203 7.019 ( -1.953 1.555 2.556) 3.572 7.111 ( 0.396 -2.941 -2.516) 3.891 7.352 ( 0.843 -8.632 6.538) 10.861 7.603 ( -0.010 -0.374 1.910) 1.946 7.652 ( -0.051 -1.911 2.244) 2.948 7.698 ( 0.092 1.793 0.372) 1.834 7.779 ( 2.535 -4.154 3.026) 5.730 8.070 ( -0.643 -6.259 1.782) 6.539 8.164 ( -2.371 -6.272 -1.755) 6.931 8.219 ( 1.122 -6.454 -1.831) 6.802 8.360 ( -2.302 -1.770 -5.665) 6.366 8.535 ( 1.837 -7.128 2.821) 7.883 8.637 ( 0.561 -3.456 4.495) 5.698 8.640 ( -1.215 -4.716 -0.531) 4.899 8.724 ( -0.303 -3.167 -0.527) 3.225 8.818 ( 5.315 -2.890 2.601) 6.585 8.910 ( -0.239 -6.475 1.725) 6.705 8.978 ( 0.242 -2.185 3.120) 3.817 9.056 ( -0.878 -0.164 5.190) 5.266 9.350 ( 0.094 7.658 -2.402) 8.027 9.444 ( -0.624 -8.581 -1.988) 8.830 9.552 ( -0.343 -6.323 1.647) 6.543 9.666 ( -0.573 3.482 -3.306) 4.836 9.770 ( -2.004 0.667 -3.296) 3.915 9.796 ( 1.130 6.926 -3.664) 7.916 9.953 ( 0.527 3.268 2.176) 3.962 9.990 ( -3.153 -0.975 -3.964) 5.159 10.285 ( 5.063 1.372 6.713) 8.519 10.332 ( 1.202 0.384 0.925) 1.564 10.394 ( -1.858 9.759 -0.051) 9.934 10.467 ( 2.745 0.944 0.240) 2.913 10.491 ( -1.355 7.759 -1.695) 8.057 10.558 ( -1.246 4.848 -1.628) 5.263 10.647 ( 4.853 9.055 0.691) 10.297 10.771 ( -2.219 0.971 -1.392) 2.794 10.917 ( -0.462 7.645 -3.611) 8.468 11.090 ( -0.675 11.093 -0.982) 11.157 11.157 ( -1.704 0.469 -1.298) 2.193 11.381 ( -8.809 -2.109 1.129) 9.128 11.463 ( 4.028 12.669 -14.815) 19.905 11.624 ( 0.496 2.375 -4.083) 4.750 11.641 ( -1.317 0.017 1.133) 1.738 11.678 ( -0.660 2.633 -0.511) 2.762 11.819 ( -0.025 -3.914 -0.412) 3.936 11.911 ( 4.417 -3.959 -2.541) 6.453 11.987 ( -2.229 -1.976 1.621) 3.391 12.001 ( 0.285 0.433 0.728) 0.894 12.117 ( -0.056 -3.137 5.764) 6.563 12.340 ( 5.921 -1.984 1.633) 6.454 12.509 ( 0.140 -1.053 0.710) 1.278 12.568 ( 0.129 -4.871 0.171) 4.876 12.736 ( -1.069 -4.261 4.471) 6.269 12.821 ( 0.799 -4.562 -0.401) 4.649 13.134 ( -0.944 -1.818 1.381) 2.470 13.227 ( 1.935 0.790 -3.101) 3.740 13.629 ( -5.521 -19.928 5.251) 21.335 13.724 ( -0.290 -16.941 4.223) 17.462 16.134 ( -0.210 9.277 -0.516) 9.294 16.520 ( 0.021 5.120 -6.353) 8.160 16.735 ( -4.907 13.540 -3.507) 14.823 16.999 ( 4.579 13.770 -17.353) 22.621 17.355 ( -3.032 3.535 3.696) 5.945 17.653 ( -0.591 -0.841 -4.285) 4.407 17.745 ( -4.404 -4.202 -4.198) 7.394 17.912 ( -4.198 8.975 -12.104) 15.642 17.941 ( 0.556 -0.524 3.992) 4.064 18.043 ( -0.661 8.297 2.578) 8.714 18.298 ( 0.191 -7.700 3.004) 8.267 18.458 ( 13.094 1.900 -8.237) 15.586 18.631 ( -1.606 2.608 -0.932) 3.201 18.860 ( 3.741 3.905 2.149) 5.819 18.878 ( -3.015 2.160 -3.078) 4.820 19.246 ( 3.766 6.448 -8.483) 11.302 19.582 ( -3.859 -1.214 3.012) 5.043 19.761 ( 16.869 -7.254 4.655) 18.944 20.002 ( 4.869 -0.175 3.008) 5.726 20.235 ( -5.955 -4.115 -2.581) 7.686 20.378 ( 2.940 -2.182 1.378) 3.912 20.394 ( -15.214 -5.116 3.277) 16.382 20.514 ( 6.463 -8.631 6.217) 12.446 20.731 ( -2.294 -4.534 -1.973) 5.451 20.774 ( 1.398 -3.048 1.071) 3.521 20.862 ( -5.470 -7.646 -0.548) 9.417 21.013 ( 0.651 -2.633 1.881) 3.300 21.106 ( -2.387 -2.278 -4.508) 5.587 21.271 ( 0.422 3.707 3.894) 5.393 21.500 ( 0.525 4.079 -1.948) 4.551 21.991 ( 0.608 12.085 3.034) 12.475 22.032 ( 0.907 5.894 5.327) 7.997 22.301 ( -1.534 25.531 -14.502) 29.403 22.479 ( -0.713 -4.584 -4.394) 6.390 23.200 ( -0.156 -2.176 0.728) 2.300 23.232 ( 0.208 -0.768 -0.340) 0.865 ======================= Grid point 56 (24/64) ======================= q-point: ( 0.17 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 5.261 14.067 13.924) 20.480 1.156 ( 10.453 13.665 15.083) 22.880 1.212 ( 8.280 3.216 1.012) 8.940 1.544 ( 1.547 10.292 -9.634) 14.182 1.668 ( 0.355 17.482 11.712) 21.046 1.778 ( 3.844 15.906 11.457) 19.975 1.833 ( 1.814 15.969 4.960) 16.820 2.022 ( -11.129 0.401 -2.792) 11.481 2.105 ( -2.389 4.285 -2.277) 5.408 2.113 ( -7.695 3.388 -4.808) 9.685 2.194 ( -2.668 9.404 2.051) 9.988 2.243 ( -3.090 3.513 -4.608) 6.567 2.273 ( -1.388 2.737 -0.936) 3.208 2.368 ( 0.158 5.413 -9.016) 10.518 2.434 ( -1.001 3.634 2.816) 4.705 2.506 ( -2.864 3.397 -1.150) 4.590 2.535 ( 3.415 0.401 -1.992) 3.974 2.547 ( -3.940 -1.243 1.255) 4.318 2.640 ( -8.946 -1.655 0.224) 9.101 2.703 ( -2.256 -0.504 2.357) 3.301 2.756 ( -2.871 -1.602 -0.768) 3.376 2.878 ( -0.240 -4.970 0.404) 4.992 2.892 ( -0.888 2.352 1.351) 2.853 2.966 ( -1.202 3.728 2.731) 4.775 3.025 ( -0.534 -2.010 -2.797) 3.485 3.080 ( -6.583 -3.462 -3.789) 8.347 3.133 ( -1.210 8.010 -3.188) 8.705 3.139 ( 3.801 0.720 -3.950) 5.529 3.198 ( -1.795 0.581 -4.485) 4.866 3.210 ( 4.035 -1.499 -6.259) 7.597 3.290 ( 6.571 0.624 1.414) 6.751 3.380 ( 0.766 3.659 4.534) 5.877 3.421 ( -0.965 11.974 2.694) 12.312 3.470 ( 5.388 7.740 4.868) 10.613 3.586 ( -0.850 14.029 -2.731) 14.317 3.622 ( 3.065 -2.282 -2.036) 4.329 3.640 ( -6.160 4.187 2.630) 7.899 3.723 ( -1.574 3.469 -1.952) 4.281 3.817 ( 0.882 6.638 -2.846) 7.276 3.892 ( 2.894 8.016 -0.078) 8.523 3.970 ( -3.028 5.174 0.830) 6.052 4.012 ( 0.521 5.514 4.328) 7.029 4.082 ( -2.323 2.598 -2.721) 4.422 4.132 ( 1.250 11.087 -2.242) 11.380 4.211 ( 0.266 4.828 -2.831) 5.603 4.274 ( -0.965 3.213 1.171) 3.554 4.379 ( -4.927 9.203 -1.926) 10.615 4.402 ( -7.744 -1.455 -4.366) 9.008 4.445 ( 1.331 -1.629 5.403) 5.798 4.556 ( 0.013 6.342 -0.507) 6.362 4.661 ( -1.856 1.437 1.090) 2.588 4.740 ( 2.317 -3.008 1.873) 4.234 4.756 ( -0.342 -0.293 0.973) 1.072 4.797 ( 2.048 3.861 -1.109) 4.509 4.914 ( 3.043 5.747 -5.830) 8.734 4.939 ( -1.214 2.025 1.392) 2.741 5.016 ( 3.171 -0.952 -9.210) 9.787 5.026 ( -0.357 -4.162 -3.101) 5.202 5.346 ( -1.112 6.382 -2.290) 6.871 5.388 ( 2.634 1.467 3.317) 4.483 5.523 ( -0.390 -9.709 1.671) 9.860 5.567 ( 2.571 -5.982 3.413) 7.351 5.761 ( -0.767 6.398 -1.044) 6.528 5.880 ( 1.217 2.153 4.103) 4.791 5.959 ( 6.997 1.724 3.956) 8.221 6.034 ( 4.917 0.234 -1.505) 5.148 6.192 ( 0.710 -0.525 2.214) 2.384 6.351 ( 2.418 0.773 4.156) 4.870 6.395 ( 3.060 -4.115 -4.193) 6.625 6.499 ( -0.113 1.649 -1.447) 2.197 6.664 ( -3.157 -0.779 4.526) 5.573 6.779 ( -1.312 4.876 -4.332) 6.653 6.788 ( -3.923 -5.270 1.725) 6.793 6.887 ( 2.669 0.382 0.366) 2.721 6.976 ( -3.721 2.483 0.774) 4.540 7.014 ( -2.416 -1.280 4.632) 5.379 7.056 ( 0.465 -2.364 -6.692) 7.112 7.400 ( 2.382 -2.255 -3.028) 4.464 7.602 ( -4.515 -4.135 6.293) 8.779 7.658 ( -0.977 -1.138 0.761) 1.682 7.704 ( -0.144 0.163 0.886) 0.912 7.811 ( -0.238 -4.303 0.647) 4.358 8.036 ( -4.253 -4.181 0.688) 6.004 8.165 ( 2.123 -3.076 1.834) 4.163 8.199 ( -1.022 -4.140 -2.022) 4.720 8.264 ( 0.064 -2.327 -4.545) 5.106 8.576 ( -2.808 -4.925 -0.524) 5.694 8.612 ( 0.274 -7.052 1.908) 7.311 8.673 ( -0.975 -1.796 2.620) 3.323 8.705 ( -0.893 -1.359 -1.021) 1.920 8.883 ( 1.552 -4.047 -0.814) 4.411 8.933 ( 2.106 -0.758 -0.385) 2.271 9.002 ( -2.632 -2.698 4.530) 5.893 9.105 ( -2.300 -0.723 7.158) 7.553 9.334 ( 1.165 4.437 -2.203) 5.089 9.395 ( -1.764 -5.063 -4.024) 6.704 9.538 ( -2.893 -4.927 2.100) 6.087 9.627 ( -2.520 4.116 -3.196) 5.789 9.698 ( -0.639 -1.455 -2.321) 2.813 9.733 ( -1.249 -1.052 -3.314) 3.694 9.966 ( 0.986 2.243 1.696) 2.979 9.975 ( 0.960 3.421 0.965) 3.682 10.305 ( -4.665 4.828 -0.388) 6.725 10.374 ( -3.681 7.138 -0.304) 8.037 10.407 ( 2.798 2.127 1.744) 3.923 10.449 ( 2.130 5.698 -0.287) 6.090 10.521 ( 1.508 4.746 2.110) 5.409 10.578 ( 5.451 1.438 -1.332) 5.792 10.685 ( -2.822 3.926 -5.109) 7.034 10.786 ( 6.566 5.361 -1.423) 8.595 10.882 ( 1.038 10.851 3.048) 11.319 10.991 ( -5.237 8.075 -0.246) 9.628 11.147 ( -0.149 4.019 0.700) 4.083 11.236 ( -4.124 3.563 1.725) 5.716 11.429 ( -0.715 4.079 -4.029) 5.777 11.586 ( -0.398 3.544 -2.807) 4.538 11.633 ( -0.284 0.541 0.384) 0.722 11.680 ( 0.503 1.258 1.033) 1.704 11.844 ( 2.392 -3.588 -0.394) 4.330 11.938 ( -1.680 -3.076 0.007) 3.505 11.982 ( 4.800 -4.838 -2.315) 7.197 12.011 ( -0.169 -0.428 0.687) 0.827 12.158 ( -3.364 -1.242 4.909) 6.079 12.376 ( 1.291 -1.667 -3.743) 4.296 12.502 ( -1.504 -2.827 0.797) 3.300 12.574 ( -0.091 -5.993 0.509) 6.015 12.701 ( -4.709 -3.589 1.538) 6.117 12.853 ( 0.584 -2.991 1.224) 3.284 13.108 ( -3.213 -1.018 1.186) 3.573 13.214 ( 0.153 -0.161 -0.475) 0.524 13.586 ( -4.550 -18.183 4.369) 19.246 13.745 ( -0.868 -13.961 2.269) 14.170 16.139 ( -0.649 12.596 1.344) 12.685 16.320 ( -4.424 18.669 -10.371) 21.810 16.643 ( -3.957 5.333 3.596) 7.552 16.942 ( 2.589 14.949 -4.254) 15.757 17.392 ( -1.675 2.768 4.492) 5.536 17.594 ( 2.257 5.509 -2.323) 6.391 17.680 ( 0.045 -6.774 -1.120) 6.866 17.758 ( -1.984 -4.484 -5.727) 7.540 18.040 ( 1.940 -2.050 5.948) 6.584 18.118 ( 1.923 4.084 4.117) 6.109 18.285 ( -1.012 -3.900 -3.173) 5.128 18.470 ( 0.585 -2.208 -4.849) 5.360 18.628 ( -1.636 3.771 6.871) 8.007 18.736 ( -5.596 3.520 -4.322) 7.898 18.912 ( -2.202 2.133 1.132) 3.268 19.038 ( -7.969 8.794 -7.594) 14.089 19.439 ( -18.518 -6.898 1.377) 19.809 19.636 ( -16.081 1.361 2.596) 16.346 20.126 ( 1.229 -2.328 -4.265) 5.013 20.252 ( 8.859 -3.471 4.139) 10.376 20.399 ( 5.917 -9.274 -3.721) 11.614 20.461 ( 5.349 -7.396 2.887) 9.573 20.675 ( 4.416 -2.507 0.540) 5.106 20.706 ( 5.437 -3.076 -1.045) 6.333 20.881 ( 5.150 -6.598 -2.951) 8.875 21.015 ( 3.973 -7.503 0.691) 8.518 21.064 ( 3.446 -2.360 -2.746) 4.999 21.096 ( 14.123 -1.733 5.358) 15.204 21.312 ( 0.063 3.015 5.320) 6.115 21.480 ( -0.061 4.370 -4.110) 5.999 22.000 ( -1.592 21.636 1.150) 21.724 22.050 ( -5.253 19.660 -1.688) 20.419 22.219 ( 2.836 0.735 3.267) 4.388 22.385 ( -2.363 -3.621 -6.969) 8.201 23.201 ( -0.355 -1.723 0.473) 1.822 23.229 ( 0.016 -1.312 -0.412) 1.375 ======================= Grid point 57 (25/64) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 13.921 5.541 11.665) 18.988 1.282 ( 10.723 4.517 -10.806) 15.879 1.489 ( 4.596 11.238 -8.206) 14.655 1.551 ( 7.566 7.756 9.914) 14.686 1.646 ( -7.318 10.060 -0.615) 12.456 1.727 ( -2.315 11.873 -2.962) 12.454 1.826 ( -7.058 11.492 7.608) 15.484 1.911 ( -11.074 5.090 -5.384) 13.324 1.968 ( -6.247 0.399 -3.104) 6.987 2.044 ( -0.649 5.578 -1.771) 5.888 2.081 ( -5.510 7.640 -9.067) 13.074 2.198 ( 2.450 4.302 7.539) 9.019 2.235 ( -4.602 9.562 5.198) 11.816 2.313 ( -0.993 3.673 -0.934) 3.918 2.386 ( -1.856 6.805 1.068) 7.134 2.440 ( -2.181 -1.422 -1.861) 3.200 2.524 ( -2.498 0.957 2.703) 3.802 2.569 ( 1.590 3.308 -0.401) 3.692 2.615 ( -0.233 -4.859 2.798) 5.612 2.628 ( -6.755 2.667 -0.590) 7.287 2.761 ( -2.096 8.084 2.662) 8.765 2.786 ( -4.701 -8.827 -1.680) 10.141 2.898 ( 3.074 0.682 -1.638) 3.549 2.950 ( -0.190 4.578 -1.458) 4.809 3.000 ( -0.089 -3.502 0.625) 3.559 3.050 ( 0.926 0.619 3.033) 3.231 3.115 ( -0.378 0.014 -3.778) 3.797 3.154 ( 4.160 -0.084 -4.611) 6.211 3.169 ( 4.139 6.908 -0.738) 8.087 3.253 ( 3.739 2.827 -2.884) 5.503 3.343 ( -4.576 12.166 -0.737) 13.019 3.372 ( 0.142 2.386 3.376) 4.136 3.458 ( 0.242 4.506 3.573) 5.756 3.532 ( -4.252 16.805 4.470) 17.902 3.565 ( -2.599 1.221 -2.180) 3.605 3.616 ( 1.264 1.649 -1.204) 2.402 3.658 ( -0.703 2.318 0.021) 2.422 3.713 ( 7.418 -0.672 -0.667) 7.479 3.816 ( 2.891 4.009 -1.251) 5.099 3.892 ( -6.061 5.599 -3.031) 8.791 3.939 ( 0.524 7.132 0.952) 7.215 3.969 ( 2.176 4.057 -1.147) 4.744 4.061 ( -0.838 8.691 -2.981) 9.226 4.106 ( -2.035 8.348 1.616) 8.743 4.181 ( -4.804 3.508 -2.942) 6.636 4.256 ( -0.159 0.423 1.163) 1.248 4.261 ( -0.857 5.357 1.331) 5.586 4.334 ( -0.810 8.242 2.044) 8.531 4.509 ( -0.717 1.300 2.965) 3.316 4.547 ( -1.228 -0.379 0.821) 1.525 4.613 ( -2.988 -2.079 -1.029) 3.783 4.746 ( 1.227 1.750 -0.203) 2.147 4.784 ( -1.035 -4.523 2.770) 5.404 4.833 ( 2.277 3.102 1.966) 4.321 4.888 ( 0.488 10.401 -1.521) 10.523 4.898 ( -1.974 1.116 -3.312) 4.014 4.992 ( 2.628 -3.543 0.833) 4.489 5.071 ( 2.719 -2.744 1.184) 4.041 5.337 ( 2.261 6.964 -1.671) 7.511 5.443 ( 1.282 3.271 -0.163) 3.517 5.525 ( -0.407 -10.379 -0.711) 10.411 5.661 ( 1.669 -8.892 0.178) 9.049 5.757 ( 1.126 6.284 3.219) 7.150 5.919 ( 0.315 -1.271 -0.619) 1.448 6.069 ( 0.866 1.848 -1.090) 2.314 6.168 ( 9.465 2.260 -4.839) 10.868 6.209 ( 1.241 -0.206 2.223) 2.554 6.377 ( 1.217 -1.713 -2.060) 2.943 6.445 ( 4.740 0.411 -1.530) 4.998 6.515 ( 3.074 1.549 -0.277) 3.453 6.653 ( -3.817 0.337 4.278) 5.743 6.691 ( -6.566 0.355 2.568) 7.060 6.752 ( -3.979 -8.149 3.537) 9.734 6.869 ( -4.000 3.813 -1.304) 5.678 6.928 ( -0.213 6.132 2.217) 6.523 6.999 ( 0.302 -0.537 -4.101) 4.147 7.072 ( 1.567 -3.210 4.002) 5.365 7.381 ( 1.107 -0.532 -4.437) 4.604 7.604 ( -1.513 -6.674 1.192) 6.947 7.633 ( -1.482 -1.117 -0.027) 1.856 7.697 ( -0.147 0.369 -2.081) 2.118 7.790 ( -1.264 -1.530 -2.233) 2.987 7.974 ( -3.403 -1.715 1.471) 4.085 8.144 ( -0.945 -4.520 -0.114) 4.619 8.248 ( 1.654 -3.362 1.175) 3.927 8.273 ( 1.625 -6.691 2.537) 7.338 8.518 ( -1.862 -1.290 -1.122) 2.528 8.582 ( -2.658 -0.184 0.630) 2.738 8.656 ( -0.947 -2.065 -2.583) 3.440 8.716 ( 0.143 -9.785 2.711) 10.154 8.899 ( 1.796 -1.191 -2.913) 3.624 8.944 ( 0.932 1.342 -3.329) 3.708 8.986 ( -2.286 -2.262 1.349) 3.487 9.109 ( -3.056 2.239 1.096) 3.944 9.337 ( -0.996 1.692 0.224) 1.976 9.347 ( 1.649 1.117 0.394) 2.031 9.486 ( -4.054 1.108 1.147) 4.357 9.543 ( -3.020 6.096 0.776) 6.847 9.658 ( -1.207 -4.478 -0.095) 4.639 9.750 ( 2.168 -10.312 0.235) 10.540 10.008 ( 1.136 2.104 0.125) 2.394 10.025 ( 3.843 4.389 1.051) 5.928 10.210 ( -6.829 7.073 -2.500) 10.144 10.250 ( -2.879 1.243 -1.185) 3.352 10.463 ( 1.019 4.382 -0.083) 4.500 10.510 ( 3.068 3.559 0.446) 4.720 10.566 ( 2.800 6.141 -0.103) 6.750 10.588 ( -0.335 3.523 -4.574) 5.784 10.685 ( 2.419 1.383 2.322) 3.628 10.844 ( 4.032 3.421 -0.326) 5.298 10.877 ( -2.028 7.010 -1.739) 7.502 11.049 ( 3.016 8.954 4.205) 10.342 11.134 ( -1.716 4.732 0.675) 5.079 11.210 ( -2.233 4.426 1.867) 5.297 11.384 ( -1.248 2.794 1.174) 3.277 11.551 ( -0.958 1.384 -0.194) 1.695 11.643 ( 1.206 3.281 -0.160) 3.499 11.709 ( 1.330 0.445 0.507) 1.491 11.873 ( 0.977 -3.618 -0.466) 3.777 11.913 ( -1.322 -1.462 0.827) 2.138 11.977 ( -3.156 0.236 -1.687) 3.586 12.053 ( 5.001 -6.436 -2.117) 8.421 12.120 ( -3.980 -0.531 2.594) 4.781 12.336 ( 1.378 -0.776 -7.260) 7.430 12.486 ( -1.621 -4.069 1.406) 4.600 12.575 ( -0.515 -6.138 0.763) 6.207 12.649 ( -1.822 -2.724 0.299) 3.291 12.852 ( -1.512 -0.201 0.474) 1.597 13.067 ( -2.308 -2.192 0.932) 3.317 13.213 ( 0.332 -1.388 -1.504) 2.073 13.564 ( -2.818 -16.336 3.168) 16.877 13.743 ( -1.271 -12.101 0.638) 12.184 16.111 ( -1.896 14.268 0.554) 14.404 16.252 ( 0.440 18.668 -0.115) 18.674 16.624 ( -2.069 0.755 2.055) 3.012 16.925 ( 0.274 15.347 -4.384) 15.964 17.425 ( 2.837 -5.974 2.520) 7.077 17.580 ( -4.298 -10.733 0.130) 11.562 17.687 ( 1.134 -2.011 -0.071) 2.309 17.786 ( 5.387 4.763 3.762) 8.115 18.052 ( -5.787 5.374 -3.122) 8.492 18.129 ( 3.379 -3.846 0.335) 5.130 18.340 ( 7.149 1.077 0.864) 7.282 18.405 ( -1.005 -0.530 -5.279) 5.400 18.613 ( -2.897 1.489 -2.208) 3.935 18.708 ( -1.254 9.718 6.396) 11.702 18.817 ( -11.345 2.901 -2.432) 11.959 18.872 ( 1.996 0.443 0.299) 2.066 19.160 ( -12.914 -5.801 -1.535) 14.240 19.375 ( -13.752 3.630 2.311) 14.410 20.141 ( 3.564 -5.628 -1.875) 6.920 20.373 ( 2.892 -2.407 -1.691) 4.125 20.460 ( 4.692 -15.216 1.629) 16.006 20.607 ( 6.688 -7.287 1.526) 10.008 20.764 ( 2.924 -0.718 0.998) 3.172 20.832 ( 2.848 -4.202 2.910) 5.851 20.895 ( 6.498 -3.889 -5.871) 9.582 21.030 ( 0.141 -6.068 0.379) 6.082 21.092 ( 5.164 -0.605 -4.576) 6.926 21.211 ( -3.883 4.265 1.296) 5.912 21.403 ( -2.231 4.266 -4.414) 6.531 21.613 ( 15.090 -3.022 8.996) 17.827 21.944 ( -6.689 16.374 -1.514) 17.752 21.949 ( -3.154 26.752 -0.214) 26.938 22.274 ( -0.450 0.964 -4.076) 4.212 22.311 ( 0.812 -8.267 4.514) 9.454 23.199 ( -0.331 -1.597 0.357) 1.670 23.225 ( 0.048 -1.591 -0.276) 1.615 ======================= Grid point 58 (26/64) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -16.693 -0.220 -4.480) 17.285 1.366 ( 9.928 9.420 -10.227) 17.085 1.441 ( -5.138 7.682 -11.003) 14.369 1.474 ( 0.123 -3.202 0.026) 3.205 1.545 ( 0.120 8.220 -6.182) 10.286 1.635 ( -0.627 10.371 1.010) 10.439 1.766 ( 2.710 12.868 -3.378) 13.577 1.945 ( -0.644 14.712 4.945) 15.534 1.958 ( 2.500 6.984 7.426) 10.496 2.004 ( 7.708 4.323 7.399) 11.526 2.069 ( -0.389 5.869 5.360) 7.958 2.193 ( -1.692 5.614 2.841) 6.515 2.286 ( -1.318 6.249 0.810) 6.437 2.351 ( 3.447 3.253 2.293) 5.265 2.356 ( -2.648 1.946 -3.990) 5.169 2.388 ( -2.168 3.625 1.313) 4.423 2.486 ( -1.068 6.521 -1.236) 6.723 2.526 ( -1.032 2.436 -2.222) 3.455 2.558 ( -0.913 0.087 -3.665) 3.778 2.632 ( 2.516 1.332 1.697) 3.314 2.709 ( -0.734 -5.979 -1.160) 6.135 2.780 ( -1.227 7.734 3.364) 8.523 2.891 ( -2.965 4.320 -7.134) 8.852 2.932 ( -0.420 0.253 -2.803) 2.846 2.945 ( -1.628 2.013 -4.281) 5.003 3.020 ( -2.365 2.787 -1.069) 3.808 3.106 ( -0.056 -2.842 -4.186) 5.060 3.136 ( 2.516 1.487 -0.785) 3.026 3.204 ( 6.206 -0.372 -5.139) 8.066 3.275 ( -0.693 1.388 1.944) 2.487 3.355 ( 0.199 10.881 4.596) 11.813 3.425 ( -1.070 9.381 -1.125) 9.508 3.454 ( 1.578 4.029 2.453) 4.974 3.505 ( -1.377 2.306 4.296) 5.067 3.549 ( -3.357 7.794 2.399) 8.819 3.614 ( 3.938 -1.651 -2.286) 4.844 3.666 ( -0.684 1.922 1.173) 2.353 3.785 ( 0.432 2.412 -1.073) 2.675 3.804 ( 2.884 4.432 -0.597) 5.321 3.866 ( -6.035 -2.024 -3.895) 7.463 3.950 ( 5.813 12.219 -3.816) 14.059 4.000 ( 1.119 6.983 2.571) 7.525 4.024 ( 2.180 8.395 1.024) 8.733 4.112 ( 0.112 3.989 2.331) 4.622 4.158 ( 2.426 10.560 4.368) 11.682 4.261 ( -1.824 6.435 -1.692) 6.899 4.281 ( 0.279 1.327 2.879) 3.182 4.385 ( 1.217 2.676 6.016) 6.696 4.487 ( -0.196 -1.757 -2.226) 2.843 4.501 ( -1.787 0.879 -2.472) 3.175 4.625 ( -0.514 -1.917 7.993) 8.236 4.758 ( -2.074 1.276 -2.611) 3.570 4.807 ( -1.043 -1.125 3.488) 3.811 4.843 ( 2.870 4.344 -0.494) 5.230 4.928 ( 2.589 0.690 5.429) 6.054 4.951 ( 1.524 5.627 7.005) 9.114 5.064 ( 1.920 -5.626 3.185) 6.744 5.126 ( 0.406 1.026 3.656) 3.818 5.353 ( 0.515 2.920 -2.045) 3.602 5.433 ( 0.502 0.889 -3.370) 3.521 5.495 ( -0.610 -4.331 -2.002) 4.810 5.613 ( -2.396 -4.944 -4.104) 6.858 5.814 ( -1.795 5.247 2.242) 5.982 5.881 ( -0.998 -4.737 -4.930) 6.910 5.981 ( -1.497 -0.396 -6.946) 7.117 6.155 ( 0.446 3.499 -6.464) 7.364 6.308 ( 2.741 -0.934 -0.237) 2.905 6.398 ( 1.276 1.370 0.909) 2.081 6.512 ( 1.159 2.293 -2.991) 3.943 6.524 ( -1.720 1.363 -1.334) 2.568 6.595 ( -2.914 -3.612 4.997) 6.820 6.691 ( -1.371 -1.377 7.886) 8.122 6.730 ( -3.138 -6.386 5.253) 8.844 6.826 ( 0.924 -0.525 -1.119) 1.544 6.945 ( -1.166 9.061 0.843) 9.175 7.010 ( 3.928 2.517 1.122) 4.798 7.126 ( -0.955 -1.452 4.055) 4.411 7.359 ( 1.890 -0.703 -4.289) 4.740 7.512 ( -4.074 -3.817 -6.571) 8.623 7.635 ( 0.146 -1.243 -0.520) 1.356 7.661 ( 0.458 0.990 -3.690) 3.848 7.730 ( 0.797 -0.684 -6.338) 6.425 7.961 ( -0.431 -3.833 2.827) 4.782 8.154 ( 0.489 -7.301 -0.223) 7.320 8.253 ( -1.942 -4.307 2.560) 5.374 8.327 ( 0.197 -4.424 3.436) 5.605 8.500 ( 1.117 -1.902 1.396) 2.610 8.585 ( -0.435 -2.929 -1.003) 3.127 8.634 ( 1.215 -3.070 1.255) 3.532 8.728 ( -0.639 -7.700 1.026) 7.795 8.848 ( -1.922 -2.266 -4.622) 5.494 8.895 ( 0.345 2.322 -7.319) 7.686 8.976 ( 0.993 -0.405 -1.038) 1.492 9.044 ( -2.497 2.591 -2.511) 4.388 9.349 ( 0.694 2.697 1.410) 3.121 9.380 ( -0.565 -0.959 3.164) 3.354 9.494 ( 2.308 4.999 2.429) 6.018 9.536 ( -0.318 6.055 4.272) 7.417 9.683 ( 1.927 -3.314 3.831) 5.419 9.781 ( 0.181 -10.064 1.236) 10.141 9.992 ( -1.151 2.106 -2.931) 3.788 10.055 ( -5.182 6.357 -4.226) 9.226 10.117 ( 4.852 3.870 0.397) 6.219 10.225 ( 0.817 -1.129 -0.657) 1.540 10.467 ( 0.010 3.938 -1.874) 4.361 10.516 ( -2.219 4.624 0.105) 5.130 10.544 ( 1.430 6.587 -5.201) 8.514 10.629 ( 2.500 3.661 2.358) 5.021 10.712 ( -0.493 2.032 0.028) 2.091 10.831 ( -0.955 6.431 -0.023) 6.502 10.928 ( 2.198 6.927 1.983) 7.533 11.023 ( -4.715 9.108 -3.842) 10.952 11.141 ( -0.330 3.921 2.452) 4.636 11.180 ( -1.307 3.889 0.185) 4.107 11.431 ( 1.100 2.851 6.543) 7.222 11.568 ( 0.747 -0.976 2.940) 3.187 11.667 ( 0.830 5.479 0.541) 5.568 11.723 ( -1.011 2.519 0.271) 2.728 11.874 ( 0.767 -2.788 -1.763) 3.387 11.882 ( -1.124 -1.428 -0.894) 2.025 11.929 ( 1.781 -0.730 -2.424) 3.095 12.069 ( -3.735 -1.745 1.106) 4.269 12.123 ( 2.901 -5.319 -0.085) 6.060 12.268 ( 2.530 -0.649 -10.790) 11.101 12.472 ( -1.538 -3.955 1.118) 4.388 12.575 ( -0.314 -5.096 0.505) 5.130 12.642 ( -0.243 -2.551 1.245) 2.849 12.823 ( -0.923 -0.025 -0.941) 1.318 13.054 ( -0.453 -3.310 1.088) 3.514 13.189 ( 0.198 -1.644 -3.124) 3.536 13.557 ( -1.734 -14.377 2.948) 14.778 13.716 ( -1.112 -10.936 -1.211) 11.059 16.124 ( 0.548 13.842 3.487) 14.285 16.261 ( 0.739 18.078 0.277) 18.095 16.609 ( -1.839 1.204 1.150) 2.481 16.873 ( 1.902 14.687 -6.918) 16.346 17.477 ( -3.287 -9.358 2.565) 10.245 17.572 ( 3.477 -11.416 3.645) 12.478 17.736 ( 1.770 -4.441 3.680) 6.033 17.821 ( -3.746 6.806 -0.478) 7.783 18.002 ( 1.262 1.488 -0.688) 2.069 18.155 ( -0.986 1.022 -2.334) 2.732 18.348 ( -0.865 -4.148 -0.208) 4.242 18.468 ( 6.321 2.703 -1.159) 6.971 18.537 ( 0.091 5.360 -0.895) 5.435 18.648 ( -6.352 -2.925 -4.063) 8.087 18.776 ( 3.173 8.681 6.058) 11.051 18.948 ( -4.816 0.537 0.782) 4.909 19.019 ( 9.269 -0.726 1.717) 9.455 19.189 ( -6.209 4.502 -4.193) 8.741 20.214 ( 3.359 -8.119 3.513) 9.463 20.430 ( 2.772 -12.876 3.260) 13.568 20.481 ( -3.282 -7.669 -2.591) 8.735 20.702 ( 3.051 -6.878 -0.827) 7.569 20.743 ( -7.467 -5.323 -1.306) 9.262 20.810 ( 0.738 1.103 -0.378) 1.380 20.997 ( -0.257 -6.764 0.275) 6.774 21.089 ( 3.876 3.686 2.551) 5.926 21.118 ( -0.090 -2.392 -1.474) 2.811 21.182 ( 4.560 1.552 -0.746) 4.874 21.352 ( 3.298 5.371 -1.938) 6.594 21.640 ( -14.091 -2.558 -9.802) 17.354 21.897 ( 4.641 18.835 2.744) 19.591 21.927 ( 0.052 27.946 0.686) 27.954 22.322 ( 2.535 -5.017 3.890) 6.836 22.349 ( -0.241 -7.494 4.012) 8.504 23.198 ( -0.294 -1.727 0.316) 1.780 23.224 ( 0.190 -1.509 -0.264) 1.544 ======================= Grid point 59 (27/64) ======================= q-point: (-0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -19.499 6.873 -0.159) 20.676 0.986 ( -20.029 6.611 -12.962) 24.757 1.200 ( -6.886 -0.663 -9.820) 12.012 1.503 ( 3.069 21.714 -2.405) 22.061 1.652 ( -0.040 15.570 -0.438) 15.576 1.689 ( 0.073 10.335 -0.357) 10.341 1.875 ( 5.546 6.471 4.524) 9.649 2.019 ( -3.076 16.590 8.457) 18.873 2.039 ( 4.428 6.312 -1.690) 7.893 2.081 ( 4.996 5.543 3.573) 8.273 2.183 ( -1.669 5.967 -5.231) 8.109 2.215 ( 1.619 2.967 1.790) 3.825 2.266 ( 5.001 1.157 5.508) 7.529 2.382 ( 3.224 4.852 2.692) 6.417 2.389 ( 2.668 -3.977 -4.769) 6.759 2.435 ( 4.782 3.875 3.951) 7.314 2.462 ( 0.651 -0.914 -4.878) 5.005 2.500 ( 5.689 4.808 -0.175) 7.451 2.583 ( 4.096 2.516 0.919) 4.894 2.685 ( -4.493 1.549 -3.917) 6.159 2.722 ( 4.825 -0.857 -0.635) 4.941 2.750 ( 3.846 0.889 -0.057) 3.948 2.833 ( 1.823 5.705 -2.193) 6.378 2.884 ( 5.784 11.719 1.162) 13.120 2.951 ( 1.000 1.153 -0.408) 1.580 3.016 ( 0.597 -0.474 -2.879) 2.978 3.108 ( 5.260 -7.261 -0.202) 8.968 3.174 ( 1.401 2.685 -2.465) 3.905 3.258 ( 4.589 -1.415 -2.655) 5.487 3.293 ( 0.698 -0.688 2.174) 2.385 3.343 ( -3.369 3.131 -0.007) 4.599 3.409 ( -3.371 9.482 -1.837) 10.230 3.453 ( -2.134 7.910 2.647) 8.610 3.492 ( -4.626 2.370 3.438) 6.232 3.572 ( 3.065 2.863 2.497) 4.881 3.636 ( -1.210 4.962 0.183) 5.110 3.689 ( 0.179 -2.189 -0.208) 2.206 3.713 ( 0.439 -3.366 -0.687) 3.464 3.839 ( 2.743 5.979 -1.253) 6.697 3.859 ( 2.220 9.945 0.473) 10.201 3.945 ( 2.341 10.438 -3.077) 11.131 4.031 ( -3.556 6.341 -1.149) 7.361 4.052 ( -0.293 7.737 2.587) 8.163 4.168 ( -2.171 10.363 -2.470) 10.872 4.209 ( 5.940 7.163 2.926) 9.755 4.315 ( 1.092 6.623 3.676) 7.653 4.331 ( 5.934 -2.097 3.574) 7.238 4.385 ( -3.360 -4.764 -3.032) 6.571 4.461 ( 3.149 0.930 -3.729) 4.969 4.569 ( 3.429 2.804 5.914) 7.389 4.634 ( -3.820 0.939 -3.867) 5.516 4.745 ( -0.974 -0.265 9.683) 9.736 4.795 ( -0.816 1.010 0.639) 1.448 4.906 ( -1.075 -0.603 -0.451) 1.312 4.952 ( -4.892 4.014 3.062) 7.029 5.035 ( 0.192 2.055 3.453) 4.023 5.136 ( 1.098 -3.606 2.880) 4.744 5.172 ( 0.124 -0.357 1.556) 1.601 5.309 ( -2.158 -2.221 -2.196) 3.797 5.401 ( 0.641 2.395 -1.588) 2.944 5.492 ( 1.644 4.698 -1.339) 5.154 5.539 ( 0.260 -4.498 -1.925) 4.899 5.756 ( -2.581 -5.846 -6.898) 9.403 5.765 ( -1.898 -0.710 -2.713) 3.386 5.952 ( -0.944 3.183 1.693) 3.726 6.074 ( -0.895 5.275 -4.213) 6.810 6.301 ( -3.027 -0.896 -0.651) 3.223 6.332 ( -8.637 -2.539 1.046) 9.063 6.463 ( -0.550 0.192 -0.587) 0.827 6.495 ( -0.684 1.739 -1.013) 2.125 6.648 ( 1.847 0.827 1.304) 2.407 6.757 ( -0.535 -5.404 6.244) 8.275 6.767 ( 0.915 -1.645 3.563) 4.029 6.860 ( 3.184 -1.196 -0.496) 3.438 6.941 ( -0.347 6.308 1.320) 6.454 7.098 ( 0.340 5.100 4.051) 6.522 7.140 ( -0.793 -0.130 3.118) 3.220 7.275 ( -4.305 -5.372 -11.108) 13.068 7.423 ( 3.411 6.031 -0.504) 6.947 7.605 ( -0.259 0.698 -2.694) 2.795 7.652 ( 1.971 0.595 -2.737) 3.425 7.697 ( 3.269 -0.814 -6.101) 6.970 8.022 ( 2.172 -8.333 4.350) 9.648 8.116 ( -0.539 -6.322 -3.441) 7.217 8.283 ( -0.902 -4.869 4.502) 6.693 8.364 ( 0.412 -1.998 2.629) 3.328 8.554 ( 0.061 -5.483 1.121) 5.597 8.579 ( 1.027 -6.332 2.133) 6.760 8.619 ( -1.231 -5.054 -3.237) 6.126 8.748 ( -0.773 -3.789 1.390) 4.109 8.799 ( -0.043 0.010 -4.652) 4.652 8.802 ( 2.144 -4.252 -4.606) 6.625 8.965 ( -0.790 3.441 -1.575) 3.866 9.008 ( 0.909 1.550 -0.544) 1.877 9.377 ( 0.438 6.237 0.763) 6.299 9.412 ( 1.594 -3.432 1.620) 4.116 9.532 ( -0.216 -4.844 1.184) 4.991 9.661 ( 6.047 13.299 4.396) 15.256 9.769 ( -2.387 -3.796 1.179) 4.637 9.820 ( 4.947 0.596 8.390) 9.758 9.922 ( -1.669 -1.258 -4.175) 4.669 9.945 ( -1.267 3.429 -3.580) 5.116 10.198 ( 4.778 3.714 -0.929) 6.123 10.244 ( 2.006 -1.181 -4.185) 4.789 10.402 ( -1.998 4.922 -2.232) 5.762 10.480 ( -1.801 5.631 -3.829) 7.044 10.507 ( -1.503 4.972 2.663) 5.838 10.680 ( -1.220 2.735 -2.808) 4.105 10.725 ( 3.696 7.240 2.707) 8.568 10.814 ( -0.525 8.574 -1.803) 8.777 10.875 ( -5.369 6.895 -0.002) 8.738 10.987 ( 0.882 14.689 4.976) 15.534 11.147 ( -0.105 3.824 -1.338) 4.053 11.193 ( 0.530 2.421 2.488) 3.512 11.542 ( 1.764 0.765 6.900) 7.163 11.616 ( 0.798 -0.567 1.354) 1.671 11.673 ( -1.231 4.238 1.817) 4.772 11.703 ( 0.533 7.039 1.724) 7.267 11.854 ( 0.132 -2.413 -3.095) 3.927 11.900 ( 1.243 -5.351 -1.004) 5.584 11.945 ( 2.168 -0.312 -1.247) 2.520 11.997 ( -2.466 -1.260 -2.345) 3.628 12.153 ( 0.065 -3.940 -1.120) 4.096 12.191 ( 2.827 -0.110 -10.278) 10.660 12.462 ( -0.281 -3.066 0.572) 3.132 12.573 ( -0.078 -3.962 -0.195) 3.967 12.655 ( -0.912 -0.726 2.765) 3.000 12.812 ( 1.031 -2.386 -1.140) 2.838 13.072 ( 0.817 -3.437 1.426) 3.809 13.165 ( 1.358 -0.918 -2.708) 3.165 13.568 ( -1.501 -12.777 4.195) 13.531 13.686 ( -0.294 -11.509 -1.480) 11.607 16.162 ( -1.008 10.921 2.159) 11.178 16.356 ( 10.217 21.742 2.693) 24.173 16.583 ( -2.026 3.375 1.181) 4.110 16.852 ( 4.801 17.276 -7.330) 19.371 17.450 ( -4.291 -8.888 5.049) 11.086 17.661 ( 2.791 -10.243 0.816) 10.648 17.759 ( -2.963 3.968 2.269) 5.447 17.820 ( 2.835 -3.253 2.902) 5.200 17.979 ( -2.016 0.479 0.140) 2.077 18.076 ( -2.776 3.583 -3.898) 5.978 18.341 ( -1.425 -3.211 1.068) 3.671 18.416 ( -7.151 -1.134 -6.710) 9.872 18.556 ( 4.597 -3.708 -0.185) 5.909 18.672 ( 9.133 1.166 1.599) 9.345 18.895 ( -3.662 3.302 -0.311) 4.941 19.000 ( 10.833 6.528 4.396) 13.391 19.048 ( 5.238 10.074 -4.794) 12.325 19.325 ( 17.109 -0.001 1.033) 17.140 20.280 ( -6.740 -5.085 -0.425) 8.454 20.330 ( -3.851 -8.971 0.910) 9.805 20.522 ( 0.411 -16.157 3.476) 16.531 20.546 ( -8.895 -4.529 -2.504) 10.291 20.685 ( -3.592 -4.402 -1.298) 5.828 20.808 ( -1.517 0.582 1.051) 1.935 20.982 ( 0.061 -3.650 -1.910) 4.120 21.055 ( -3.901 -5.078 1.363) 6.547 21.159 ( 1.384 4.023 -0.828) 4.335 21.216 ( -14.309 -0.166 -7.562) 16.185 21.253 ( -0.418 2.893 -0.679) 3.001 21.514 ( 8.257 0.954 4.129) 9.281 21.955 ( 2.331 21.372 -0.426) 21.503 21.972 ( 2.731 21.772 -0.064) 21.943 22.321 ( -2.726 -6.372 3.541) 7.783 22.454 ( 3.284 -6.118 2.695) 7.449 23.194 ( -0.404 -2.128 0.204) 2.175 23.227 ( 0.386 -0.968 -0.238) 1.069 ======================= Grid point 60 (28/64) ======================= q-point: (-0.17 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -10.518 20.012 3.300) 22.847 0.625 ( -12.368 14.970 11.664) 22.653 1.039 ( -5.651 -1.224 2.860) 6.450 1.279 ( -18.901 40.264 0.899) 44.489 1.588 ( 1.248 23.736 1.899) 23.844 1.852 ( 3.257 -1.056 2.703) 4.362 1.922 ( 0.283 1.685 -8.268) 8.443 2.057 ( 4.561 8.484 -1.576) 9.761 2.094 ( 2.129 7.075 2.021) 7.660 2.143 ( 2.511 6.923 1.204) 7.462 2.222 ( 6.788 7.282 -4.418) 10.891 2.295 ( 2.292 -2.960 2.474) 4.487 2.383 ( 3.593 3.241 -1.809) 5.166 2.406 ( 1.967 1.211 1.164) 2.586 2.439 ( 4.513 6.307 -2.500) 8.148 2.465 ( 3.029 -0.186 -0.164) 3.039 2.556 ( 3.534 5.396 3.459) 7.319 2.599 ( 4.033 -1.604 -0.241) 4.347 2.668 ( 3.890 1.772 -0.952) 4.380 2.706 ( 4.922 -1.588 1.354) 5.346 2.760 ( 3.432 -0.402 -1.167) 3.647 2.825 ( 1.945 1.036 -1.501) 2.666 2.902 ( 6.460 -2.766 2.741) 7.543 2.948 ( 0.930 4.800 -1.467) 5.104 3.030 ( 2.746 1.889 1.824) 3.799 3.064 ( 6.294 4.170 0.750) 7.587 3.123 ( -1.015 3.632 -4.161) 5.615 3.165 ( -0.056 -4.574 -2.086) 5.028 3.214 ( -3.207 -2.502 -4.136) 5.801 3.245 ( -1.319 -1.660 -4.984) 5.416 3.330 ( -5.793 9.474 4.344) 11.925 3.375 ( 0.903 -0.223 0.357) 0.996 3.459 ( -2.049 5.113 2.560) 6.074 3.514 ( 5.322 0.478 3.976) 6.660 3.575 ( 0.798 3.910 -1.211) 4.170 3.652 ( -2.051 -0.243 -0.040) 2.066 3.725 ( 2.630 12.598 2.541) 13.118 3.755 ( -2.469 -5.811 0.740) 6.357 3.831 ( 2.786 0.889 -5.572) 6.293 3.894 ( -0.164 6.894 2.189) 7.235 3.934 ( 1.987 7.493 -4.892) 9.166 3.977 ( 1.796 9.773 -1.556) 10.058 4.064 ( -3.073 4.279 6.218) 8.150 4.151 ( 3.363 10.858 -3.127) 11.789 4.271 ( -3.589 -0.931 -2.186) 4.304 4.326 ( 2.419 6.838 -1.137) 7.341 4.354 ( -0.962 9.589 4.388) 10.589 4.406 ( 2.837 4.176 -3.296) 6.029 4.485 ( -1.106 -2.245 -5.722) 6.245 4.530 ( 2.495 -0.084 0.242) 2.508 4.690 ( -1.367 7.862 2.329) 8.313 4.716 ( -1.195 -0.200 0.376) 1.268 4.824 ( -1.740 -2.697 -3.959) 5.096 4.876 ( -4.848 8.880 -3.251) 10.626 4.877 ( -0.079 -2.926 6.283) 6.932 5.002 ( -4.565 0.585 -2.551) 5.263 5.052 ( -1.348 -0.052 -6.474) 6.613 5.163 ( -0.977 -1.320 -1.203) 2.036 5.292 ( 0.792 3.827 1.182) 4.083 5.421 ( 0.403 2.355 -0.302) 2.408 5.505 ( 1.943 4.986 -2.143) 5.764 5.565 ( 1.686 0.011 -2.502) 3.018 5.689 ( -0.908 -7.428 4.679) 8.825 5.748 ( -0.366 -3.641 3.454) 5.032 5.882 ( -3.297 0.602 -4.110) 5.304 6.106 ( -0.510 4.251 4.252) 6.034 6.179 ( -4.246 -2.992 -2.733) 5.870 6.247 ( -4.246 -1.557 3.480) 5.707 6.433 ( -1.025 0.021 -1.797) 2.069 6.493 ( 2.259 2.047 -2.550) 3.974 6.688 ( 1.619 4.459 0.572) 4.778 6.779 ( -1.524 -2.677 -1.317) 3.350 6.824 ( 1.250 -2.711 3.788) 4.823 6.910 ( 2.126 -0.145 -1.169) 2.431 6.956 ( 1.017 0.809 -0.431) 1.370 7.070 ( -5.949 1.663 0.489) 6.196 7.100 ( -1.042 0.943 2.107) 2.533 7.232 ( 0.987 -2.980 8.411) 8.977 7.552 ( 6.206 3.009 2.159) 7.227 7.597 ( 1.764 1.666 0.895) 2.586 7.670 ( 3.252 1.464 -1.012) 3.707 7.697 ( 2.369 -0.881 -3.004) 3.926 8.062 ( -0.410 -6.957 0.458) 6.984 8.146 ( 3.691 -9.008 1.838) 9.906 8.267 ( -3.276 -5.775 -0.587) 6.665 8.404 ( 1.304 -2.352 0.445) 2.726 8.525 ( -2.075 -5.264 -1.664) 5.898 8.578 ( 0.064 -6.478 3.114) 7.188 8.642 ( 1.552 -4.299 0.505) 4.598 8.718 ( 0.812 -1.724 -4.223) 4.633 8.752 ( -0.038 -6.283 1.317) 6.419 8.866 ( 2.444 -1.874 1.972) 3.657 8.953 ( 1.103 1.502 -1.031) 2.130 9.027 ( -0.314 1.112 2.521) 2.774 9.374 ( -0.544 8.904 -0.691) 8.947 9.465 ( 1.852 -8.431 -0.706) 8.661 9.526 ( -0.444 -5.251 1.057) 5.375 9.720 ( -1.636 5.239 -1.795) 5.775 9.775 ( 2.466 6.191 -0.179) 6.667 9.840 ( -0.469 2.531 -2.827) 3.824 9.920 ( -0.219 0.362 0.720) 0.835 10.049 ( 4.850 -3.006 6.100) 8.353 10.155 ( 0.022 0.633 -5.950) 5.984 10.294 ( 5.759 4.639 -0.996) 7.462 10.376 ( -0.706 7.725 0.300) 7.763 10.453 ( 0.198 2.045 0.547) 2.126 10.504 ( -0.690 5.550 1.065) 5.693 10.614 ( -2.228 3.601 -2.297) 4.817 10.666 ( -4.059 8.368 -2.857) 9.729 10.819 ( -3.234 2.202 1.280) 4.116 10.903 ( 5.173 6.987 -0.718) 8.723 11.097 ( 0.713 10.483 1.014) 10.556 11.164 ( 4.999 6.934 -0.732) 8.579 11.244 ( 5.428 7.896 5.409) 11.003 11.609 ( 0.547 -0.153 -2.226) 2.297 11.625 ( 0.691 -0.343 2.127) 2.262 11.680 ( 0.756 2.815 -0.536) 2.963 11.757 ( -2.648 0.903 -9.785) 10.177 11.846 ( 5.260 3.325 6.616) 9.083 11.879 ( -1.688 -3.291 -0.593) 3.745 11.920 ( 0.350 -3.872 -3.183) 5.024 11.988 ( 1.504 1.121 -0.423) 1.923 12.115 ( -1.665 -0.632 -0.702) 1.914 12.175 ( 3.899 0.246 0.832) 3.994 12.482 ( 1.414 -1.211 0.780) 2.018 12.569 ( -0.053 -3.706 -0.285) 3.718 12.680 ( 0.221 -0.071 3.536) 3.543 12.822 ( 0.524 -4.193 -0.306) 4.236 13.112 ( 1.266 -2.606 1.729) 3.374 13.188 ( 4.277 0.540 -2.287) 4.880 13.611 ( -1.404 -15.666 8.459) 17.859 13.677 ( 0.488 -12.916 0.006) 12.925 16.153 ( -0.915 8.029 -0.226) 8.084 16.528 ( 2.343 7.731 -2.134) 8.355 16.711 ( 10.520 13.241 4.738) 17.563 16.909 ( 16.116 24.269 -10.146) 30.849 17.428 ( -4.375 -8.687 3.114) 10.212 17.685 ( 0.631 -9.973 -2.332) 10.262 17.803 ( 1.381 -1.704 2.289) 3.170 17.902 ( 2.760 4.618 3.017) 6.168 17.992 ( -0.824 2.927 -3.358) 4.531 18.015 ( 11.897 11.160 5.454) 17.200 18.245 ( -0.694 7.225 -15.051) 16.710 18.312 ( -1.858 -5.044 0.879) 5.447 18.618 ( 3.502 -3.099 -1.758) 4.996 18.817 ( -0.645 2.367 -1.083) 2.681 18.856 ( 6.353 2.189 2.224) 7.078 19.146 ( 7.299 7.248 -2.254) 10.531 19.283 ( 17.009 5.548 1.286) 17.937 19.614 ( 8.273 2.656 2.995) 9.191 20.063 ( -8.377 -2.389 -3.079) 9.239 20.265 ( -4.932 4.463 1.383) 6.794 20.381 ( -5.487 -13.686 -1.180) 14.792 20.550 ( -5.114 -13.574 0.561) 14.517 20.575 ( -5.682 -10.856 0.707) 12.274 20.780 ( -1.870 -0.852 0.043) 2.055 20.848 ( -9.976 -6.138 -2.413) 11.959 20.967 ( 0.596 -1.708 -1.587) 2.406 21.053 ( -5.483 -5.567 2.535) 8.215 21.183 ( 1.315 5.184 1.072) 5.455 21.270 ( -2.733 3.570 1.015) 4.609 21.582 ( -5.659 -0.655 0.680) 5.737 21.957 ( -1.379 -0.254 0.421) 1.464 22.001 ( 0.954 18.669 0.029) 18.693 22.376 ( 7.699 14.090 -5.613) 17.009 22.503 ( 1.155 -5.828 -0.735) 5.987 23.192 ( -0.249 -2.329 0.696) 2.443 23.230 ( 0.273 -0.426 -0.252) 0.565 ======================= Grid point 61 (29/64) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -1.988 23.392 8.670) 25.026 1.139 ( 1.482 19.964 16.405) 25.882 1.239 ( -0.358 16.864 9.227) 19.226 1.785 ( -0.465 5.575 -5.018) 7.516 1.878 ( 2.294 21.119 5.422) 21.924 1.936 ( 0.586 5.638 1.056) 5.766 2.048 ( 1.436 -1.361 0.222) 1.991 2.145 ( 1.541 3.452 -0.884) 3.882 2.184 ( -0.954 4.157 -1.677) 4.583 2.269 ( -0.367 2.020 -2.412) 3.167 2.277 ( -4.761 0.491 -1.376) 4.980 2.354 ( 5.768 -3.697 2.166) 7.185 2.404 ( 1.091 4.197 -1.696) 4.656 2.472 ( -0.110 0.496 2.342) 2.397 2.493 ( -2.953 4.845 -2.766) 6.312 2.524 ( -1.001 0.332 -1.426) 1.773 2.560 ( -2.493 -3.009 2.805) 4.810 2.577 ( 2.186 0.176 -0.047) 2.194 2.722 ( -1.927 3.247 -5.711) 6.846 2.763 ( -2.331 -1.163 0.662) 2.688 2.784 ( -2.526 -2.968 -0.766) 3.972 2.817 ( -1.132 -5.232 -2.150) 5.769 2.878 ( -1.805 -1.075 1.966) 2.877 2.934 ( 3.723 -6.019 -0.731) 7.115 3.008 ( 2.739 1.480 -0.479) 3.150 3.041 ( 2.927 -6.063 -3.202) 7.456 3.107 ( -0.596 -0.062 -0.712) 0.931 3.156 ( 0.482 -5.834 -5.863) 8.284 3.199 ( 5.275 7.505 -0.044) 9.174 3.297 ( -0.270 5.571 -1.850) 5.876 3.368 ( 1.261 2.152 -2.004) 3.199 3.434 ( -2.214 3.827 -1.318) 4.614 3.534 ( -0.986 4.423 0.671) 4.581 3.605 ( -3.796 0.542 6.035) 7.150 3.645 ( 0.228 4.815 -0.613) 4.859 3.754 ( 4.719 9.901 2.277) 11.202 3.818 ( 1.817 4.820 5.758) 7.726 3.901 ( -3.810 3.053 2.880) 5.668 3.976 ( 2.279 10.916 -1.276) 11.224 4.041 ( -1.520 2.418 -0.571) 2.912 4.059 ( -2.289 9.916 1.212) 10.249 4.114 ( 2.161 8.425 -2.989) 9.198 4.179 ( -0.133 4.272 0.270) 4.283 4.239 ( -1.814 10.050 -2.137) 10.433 4.397 ( 0.437 4.995 -1.212) 5.159 4.449 ( -0.363 4.537 -4.239) 6.220 4.493 ( 2.528 11.077 -1.744) 11.494 4.528 ( -0.119 -0.762 -0.716) 1.052 4.556 ( 2.222 4.934 2.629) 6.016 4.634 ( -0.441 7.163 0.317) 7.184 4.707 ( 0.812 3.481 1.170) 3.761 4.714 ( -3.278 -0.953 -1.673) 3.802 4.830 ( -1.091 5.215 -1.779) 5.617 4.905 ( -0.196 2.644 4.576) 5.288 4.959 ( 0.510 0.954 -1.283) 1.678 5.022 ( -1.069 1.969 -4.766) 5.266 5.064 ( -3.251 5.896 -1.150) 6.831 5.182 ( 0.713 12.149 -4.648) 13.028 5.242 ( -1.200 -2.818 -0.004) 3.063 5.366 ( -2.034 -7.095 -5.055) 8.946 5.468 ( 1.135 -2.642 -2.692) 3.939 5.525 ( 2.667 1.012 -1.780) 3.363 5.795 ( 3.178 2.479 7.595) 8.598 5.813 ( -2.828 -0.035 1.481) 3.192 5.951 ( 2.584 5.479 5.827) 8.405 6.091 ( -0.186 -0.639 -1.431) 1.578 6.111 ( 0.041 7.529 3.911) 8.485 6.287 ( 2.503 -3.624 -3.429) 5.582 6.376 ( -3.494 4.838 2.134) 6.338 6.496 ( 1.019 -1.363 -0.583) 1.799 6.587 ( 0.314 -11.109 0.185) 11.115 6.746 ( -4.550 2.223 3.030) 5.901 6.870 ( 0.088 -3.211 -0.404) 3.237 6.897 ( 1.890 -3.085 -4.409) 5.704 6.911 ( 2.508 -5.383 -2.637) 6.498 7.075 ( -1.417 6.667 1.195) 6.920 7.154 ( -0.436 4.727 -1.751) 5.059 7.296 ( 1.031 3.302 3.831) 5.161 7.589 ( -0.374 -2.996 2.682) 4.039 7.623 ( 1.824 -9.480 1.609) 9.787 7.661 ( 0.502 1.743 -1.217) 2.184 7.763 ( -2.909 3.145 -1.238) 4.459 7.977 ( -0.196 -0.920 2.136) 2.334 8.037 ( 3.462 -7.452 1.355) 8.328 8.122 ( -0.384 -1.085 -3.063) 3.272 8.243 ( -0.916 -9.714 -2.157) 9.993 8.357 ( 0.965 -9.900 0.685) 9.971 8.448 ( -1.929 -11.585 0.711) 11.766 8.560 ( -0.745 -5.312 3.960) 6.668 8.646 ( 0.638 -5.237 5.079) 7.323 8.745 ( 4.380 -3.187 5.755) 7.903 8.867 ( -3.369 0.537 -2.618) 4.300 8.932 ( 3.144 -3.496 -0.558) 4.734 9.082 ( -0.056 1.945 2.797) 3.407 9.245 ( -0.873 -9.892 -0.509) 9.944 9.372 ( 0.133 -6.764 -0.387) 6.776 9.541 ( -0.881 6.608 -1.781) 6.900 9.735 ( -1.529 1.416 -6.274) 6.611 9.792 ( -1.366 3.184 -3.560) 4.968 9.902 ( -1.291 3.237 -4.431) 5.637 10.045 ( -0.571 6.146 0.813) 6.225 10.074 ( 0.661 7.510 2.458) 7.929 10.279 ( 1.141 0.634 5.421) 5.576 10.332 ( 5.741 -1.148 3.812) 6.986 10.499 ( -0.333 3.603 -1.719) 4.006 10.551 ( -1.867 3.345 -0.481) 3.861 10.650 ( 0.307 6.040 0.055) 6.048 10.718 ( 0.979 12.229 -1.981) 12.427 10.808 ( -2.061 5.049 -2.468) 5.986 10.926 ( 3.746 14.598 -4.007) 15.595 11.040 ( 0.607 5.764 -1.179) 5.915 11.183 ( -2.038 3.213 1.316) 4.026 11.260 ( 0.030 5.013 2.684) 5.686 11.320 ( -5.787 -3.257 3.313) 7.421 11.541 ( -0.275 -1.766 -6.794) 7.025 11.629 ( -0.108 -1.056 0.082) 1.064 11.681 ( 2.497 1.949 -4.268) 5.315 11.711 ( 1.748 -6.233 -2.075) 6.798 11.743 ( -0.864 2.789 -3.306) 4.411 11.826 ( 0.987 -3.699 -1.949) 4.296 11.911 ( -3.257 -6.634 1.630) 7.568 12.018 ( -0.087 0.653 -1.084) 1.268 12.071 ( 0.129 0.222 8.244) 8.248 12.318 ( 0.776 -0.659 3.581) 3.723 12.460 ( 0.305 -6.320 -1.725) 6.558 12.524 ( 2.432 3.041 -4.102) 5.656 12.701 ( -0.231 -6.703 1.339) 6.840 12.718 ( 0.088 0.614 1.708) 1.817 13.077 ( -0.979 -4.181 2.647) 5.045 13.189 ( 1.989 -4.178 -0.942) 4.722 13.261 ( -4.116 -16.027 2.493) 16.734 13.400 ( 1.137 -15.696 -0.350) 15.741 16.332 ( 0.178 9.471 2.220) 9.729 16.596 ( -1.519 1.641 -1.385) 2.630 16.885 ( -0.961 2.022 -3.622) 4.258 17.015 ( 1.495 -4.958 -6.990) 8.700 17.468 ( 1.181 6.097 5.460) 8.269 17.570 ( 0.606 -2.295 -0.192) 2.382 17.715 ( -2.560 2.021 -3.842) 5.040 17.893 ( 1.452 -4.003 0.675) 4.311 18.054 ( 0.647 5.454 0.095) 5.494 18.195 ( -1.951 -2.550 3.524) 4.768 18.260 ( -6.304 11.271 -3.667) 13.425 18.429 ( 5.223 0.065 -1.681) 5.487 18.688 ( -0.616 0.475 -0.343) 0.850 18.923 ( -1.599 2.500 -2.260) 3.730 18.976 ( 2.796 4.816 -0.215) 5.573 19.334 ( 3.966 2.794 -3.915) 6.234 19.494 ( -0.623 -8.514 2.170) 8.808 19.695 ( 2.443 -1.132 -6.518) 7.052 20.034 ( -0.266 2.267 1.789) 2.900 20.077 ( -4.549 -6.759 3.027) 8.692 20.342 ( -3.303 -0.954 0.087) 3.439 20.368 ( 3.584 0.731 -0.620) 3.710 20.411 ( 8.796 -2.173 4.604) 10.163 20.670 ( -3.526 -2.917 -1.401) 4.786 20.701 ( -3.537 -7.179 -0.510) 8.019 20.740 ( 0.320 -1.682 0.198) 1.724 20.950 ( 0.434 -3.407 -1.656) 3.813 21.031 ( -2.071 -5.420 -5.503) 7.997 21.376 ( -0.122 7.179 5.600) 9.105 21.621 ( 1.016 6.662 -0.837) 6.791 21.923 ( 0.068 -3.760 6.843) 7.808 22.322 ( -0.990 -6.996 -4.341) 8.293 22.446 ( 0.929 17.828 1.461) 17.912 22.695 ( -0.490 15.299 -7.594) 17.087 23.132 ( -0.313 -4.782 1.484) 5.017 23.201 ( 0.003 -2.699 -0.926) 2.853 ======================= Grid point 62 (30/64) ======================= q-point: ( 0.17 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -1.890 20.455 9.269) 22.536 1.353 ( 3.991 12.490 2.745) 13.397 1.403 ( 4.692 12.279 17.158) 21.614 1.747 ( 0.517 10.639 -1.817) 10.805 1.944 ( -0.535 6.204 0.655) 6.261 1.998 ( -4.315 0.908 -1.229) 4.578 2.017 ( -3.286 6.016 0.253) 6.859 2.110 ( 4.118 4.155 3.604) 6.871 2.152 ( -4.158 4.866 -3.040) 7.085 2.158 ( -4.958 2.501 -3.760) 6.706 2.261 ( -0.239 0.225 0.677) 0.752 2.339 ( -3.313 2.988 -5.526) 7.103 2.376 ( -3.098 0.550 0.721) 3.228 2.470 ( -1.031 4.875 -3.203) 5.923 2.485 ( -4.437 -1.426 3.183) 5.644 2.522 ( 0.062 0.373 1.472) 1.520 2.559 ( 0.525 -2.094 3.961) 4.511 2.595 ( -2.582 1.587 -0.706) 3.112 2.620 ( -1.269 4.278 -1.187) 4.617 2.638 ( -2.275 -2.090 -0.256) 3.100 2.707 ( -4.083 -4.753 -3.088) 6.986 2.770 ( -4.447 0.156 0.053) 4.450 2.827 ( -1.440 -6.004 -1.288) 6.307 2.950 ( 2.018 -2.861 -1.557) 3.831 3.019 ( -2.465 -1.674 0.893) 3.111 3.070 ( 5.906 1.837 -3.311) 7.016 3.144 ( -0.175 -3.630 -2.448) 4.382 3.161 ( 2.663 0.401 -0.347) 2.716 3.210 ( -0.617 5.157 -0.485) 5.217 3.323 ( 8.479 5.046 -3.485) 10.464 3.341 ( 2.113 8.311 -3.397) 9.224 3.463 ( 2.458 5.093 3.117) 6.458 3.556 ( -0.584 2.852 1.074) 3.103 3.591 ( -1.663 3.245 0.890) 3.753 3.639 ( -1.849 2.274 2.265) 3.704 3.789 ( -6.668 4.117 0.247) 7.840 3.848 ( -0.607 11.549 6.630) 13.330 3.919 ( 3.967 8.357 0.177) 9.252 3.965 ( -4.936 5.154 0.247) 7.141 4.023 ( 2.112 9.380 -2.089) 9.839 4.077 ( -1.904 4.205 -0.856) 4.695 4.120 ( 0.981 6.857 0.891) 6.983 4.197 ( 3.509 3.827 3.620) 6.329 4.257 ( 2.110 13.693 -1.041) 13.894 4.356 ( -2.268 5.028 -7.105) 8.995 4.397 ( -3.920 1.916 0.340) 4.377 4.424 ( 2.932 5.240 -0.503) 6.026 4.482 ( -3.607 2.775 -3.668) 5.845 4.591 ( -2.969 10.711 -0.385) 11.122 4.629 ( 0.501 6.303 1.500) 6.499 4.661 ( 0.737 0.911 -3.077) 3.293 4.748 ( -0.308 1.977 1.879) 2.745 4.835 ( 2.200 3.649 -0.168) 4.264 4.875 ( -5.246 7.872 3.432) 10.064 4.916 ( -1.745 -0.517 -5.881) 6.156 4.968 ( -2.400 2.041 -1.575) 3.522 5.008 ( 0.020 1.848 -3.031) 3.550 5.167 ( 2.939 7.850 -1.181) 8.465 5.266 ( 1.175 -6.424 3.506) 7.412 5.319 ( 0.114 -8.904 -0.168) 8.906 5.464 ( 1.319 1.455 -1.772) 2.645 5.527 ( 0.836 3.314 -3.996) 5.258 5.797 ( 0.635 -1.895 3.358) 3.908 5.973 ( 8.391 0.529 2.321) 8.722 6.021 ( -0.537 -3.243 3.094) 4.514 6.074 ( 0.521 13.125 0.567) 13.148 6.232 ( 3.496 2.574 0.167) 4.345 6.295 ( 2.602 -3.436 1.039) 4.434 6.366 ( 0.962 2.504 1.442) 3.045 6.504 ( 0.865 -0.808 -1.469) 1.887 6.585 ( -1.531 -8.661 1.895) 8.997 6.704 ( -4.164 1.580 3.096) 5.424 6.810 ( -3.611 -3.631 -4.284) 6.677 6.842 ( -1.025 -5.415 -2.133) 5.910 6.953 ( 0.504 -1.972 2.796) 3.458 7.072 ( -0.325 7.852 0.608) 7.882 7.148 ( 2.709 7.159 -2.826) 8.159 7.348 ( 3.816 -3.017 -3.505) 5.996 7.586 ( -4.019 0.848 1.177) 4.273 7.618 ( -3.163 -3.332 0.713) 4.650 7.684 ( 0.992 -7.145 2.742) 7.717 7.717 ( 0.423 1.978 -0.040) 2.023 7.980 ( -1.206 -0.755 0.106) 1.427 8.079 ( 0.373 -5.809 -1.305) 5.965 8.118 ( -0.395 -2.360 3.562) 4.291 8.190 ( -0.616 -4.944 -3.600) 6.147 8.402 ( 1.385 -11.663 0.653) 11.763 8.418 ( 0.263 -9.816 0.320) 9.824 8.585 ( -1.745 -6.944 3.716) 8.067 8.709 ( -3.875 1.978 1.885) 4.742 8.775 ( 1.186 -6.855 0.950) 7.021 8.900 ( 1.879 -2.228 6.073) 6.736 8.962 ( 2.534 -2.090 -3.109) 4.522 9.111 ( -0.038 -0.816 2.188) 2.336 9.233 ( 0.043 -8.620 0.412) 8.629 9.343 ( -1.895 -6.016 -1.426) 6.466 9.518 ( -0.228 5.157 0.192) 5.166 9.633 ( -0.825 -0.311 -6.657) 6.715 9.726 ( -2.907 4.687 -0.550) 5.543 9.811 ( -2.728 5.068 -4.060) 7.044 10.071 ( 0.648 7.071 2.488) 7.524 10.105 ( 1.384 7.791 0.740) 7.948 10.345 ( -0.762 1.316 2.100) 2.593 10.439 ( 1.412 0.726 -0.329) 1.622 10.502 ( 0.595 1.722 -0.230) 1.837 10.554 ( 4.905 1.379 1.157) 5.225 10.602 ( -3.048 9.858 0.505) 10.331 10.705 ( -0.134 6.949 -2.066) 7.251 10.779 ( 0.233 9.307 -2.846) 9.735 10.921 ( 3.247 5.546 -7.123) 9.594 11.079 ( 1.089 7.920 0.051) 7.994 11.136 ( -3.085 8.223 4.378) 9.813 11.225 ( -5.703 2.210 3.541) 7.067 11.296 ( -0.975 3.223 2.204) 4.024 11.461 ( 0.977 -0.641 -5.356) 5.482 11.627 ( -0.319 0.366 -1.092) 1.195 11.678 ( -0.958 2.566 -1.765) 3.258 11.711 ( 2.070 -2.090 -2.537) 3.884 11.752 ( 3.238 -2.521 0.222) 4.109 11.830 ( 2.731 -5.707 -2.549) 6.821 11.891 ( -0.893 -4.795 1.526) 5.111 12.004 ( -0.034 -1.096 -0.590) 1.245 12.150 ( -2.042 1.066 7.247) 7.604 12.311 ( -3.313 -3.919 0.982) 5.225 12.453 ( 0.557 -6.323 -0.744) 6.391 12.493 ( 0.146 2.965 -5.024) 5.836 12.674 ( -2.439 -0.646 -0.486) 2.569 12.762 ( 0.317 -5.072 3.021) 5.912 13.056 ( -4.774 -5.128 3.046) 7.640 13.177 ( -0.623 -3.565 -0.450) 3.647 13.254 ( -0.288 -12.849 1.789) 12.976 13.420 ( 1.507 -17.377 -0.387) 17.446 16.384 ( 1.014 10.421 3.782) 11.132 16.538 ( -0.252 4.401 -4.460) 6.271 16.776 ( -5.734 5.806 -1.618) 8.319 17.008 ( 4.156 -4.328 -4.167) 7.305 17.487 ( -4.236 -4.152 1.678) 6.164 17.585 ( -3.769 7.972 2.434) 9.148 17.675 ( 3.457 1.032 -1.673) 3.977 17.850 ( -1.662 7.446 -7.387) 10.620 18.051 ( -1.786 7.263 4.433) 8.695 18.166 ( -2.735 -0.223 3.145) 4.174 18.221 ( 3.382 -0.674 0.662) 3.512 18.457 ( 1.192 3.191 -4.156) 5.374 18.696 ( -1.692 1.502 10.967) 11.198 18.838 ( -4.335 6.451 -3.562) 8.550 18.973 ( -2.516 2.177 0.014) 3.327 19.209 ( -6.725 6.438 -8.866) 12.856 19.312 ( -16.236 -4.374 -1.147) 16.854 19.603 ( -10.158 -3.861 -0.197) 10.868 19.981 ( -3.161 -11.744 -0.621) 12.178 20.081 ( -2.801 -9.127 3.712) 10.243 20.359 ( 2.988 1.786 0.190) 3.486 20.382 ( 6.833 0.741 -0.430) 6.887 20.637 ( 5.941 -1.364 4.528) 7.593 20.699 ( 8.981 1.129 -3.585) 9.735 20.765 ( 5.855 -4.517 -3.972) 8.395 20.896 ( 7.366 -4.879 -1.680) 8.994 20.979 ( 6.394 -6.855 -1.070) 9.435 21.040 ( 13.082 -4.292 0.701) 13.786 21.411 ( -3.028 7.276 5.466) 9.591 21.600 ( -1.185 7.275 -3.082) 7.989 22.006 ( -0.598 -7.571 8.651) 11.512 22.219 ( -4.103 -5.925 -5.906) 9.318 22.476 ( 0.201 17.533 1.734) 17.620 22.565 ( -3.894 19.242 -5.722) 20.449 23.140 ( -0.480 -4.550 1.243) 4.741 23.185 ( -0.354 -3.418 -0.971) 3.571 ======================= Grid point 63 (31/64) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 2.786 9.516 10.063) 14.127 1.415 ( 6.226 9.651 -5.587) 12.771 1.602 ( -2.714 6.239 5.748) 8.907 1.726 ( 1.611 10.436 -6.136) 12.213 1.846 ( -2.345 8.319 -2.989) 9.145 1.944 ( -5.487 -0.996 -0.231) 5.582 1.955 ( -3.501 3.931 3.708) 6.439 2.043 ( -2.061 11.781 -2.008) 12.128 2.068 ( -4.432 7.122 -0.441) 8.399 2.148 ( -3.810 1.305 0.386) 4.046 2.183 ( -1.943 0.627 -3.746) 4.267 2.267 ( 1.057 3.679 1.099) 3.982 2.372 ( -1.029 -2.660 3.826) 4.772 2.383 ( -2.577 1.995 -4.783) 5.788 2.450 ( -5.556 7.191 4.851) 10.301 2.467 ( -5.347 -3.332 -1.779) 6.547 2.506 ( -1.284 -0.898 2.160) 2.669 2.546 ( -0.662 -1.444 1.226) 2.007 2.573 ( -2.854 1.004 -2.779) 4.109 2.647 ( -2.599 1.683 2.505) 3.983 2.667 ( 0.239 -0.449 1.421) 1.509 2.830 ( 2.698 -4.017 0.457) 4.861 2.848 ( 6.850 -5.048 0.888) 8.555 2.961 ( -0.459 0.209 -2.787) 2.832 3.002 ( -0.719 -0.839 1.859) 2.163 3.065 ( -0.691 -3.086 -1.004) 3.318 3.104 ( 0.868 3.117 -4.181) 5.287 3.175 ( 2.392 6.735 -3.805) 8.097 3.262 ( 2.963 -1.750 0.385) 3.462 3.371 ( 2.479 6.350 -5.498) 8.758 3.447 ( 6.326 4.904 -3.484) 8.730 3.475 ( -1.837 1.005 0.724) 2.216 3.489 ( -1.769 1.577 -0.685) 2.467 3.583 ( -2.808 2.997 2.737) 4.936 3.625 ( -2.722 4.639 6.524) 8.455 3.799 ( -2.437 7.406 0.006) 7.797 3.829 ( 2.545 8.125 3.196) 9.095 3.899 ( -1.998 4.186 -4.023) 6.140 3.974 ( -1.710 7.593 4.045) 8.772 4.050 ( 0.388 19.303 -2.149) 19.426 4.053 ( 0.556 8.878 -3.593) 9.593 4.092 ( 1.295 6.900 2.008) 7.302 4.228 ( -2.263 4.250 -2.232) 5.307 4.256 ( -1.993 3.502 1.769) 4.401 4.281 ( 1.667 -0.720 -1.570) 2.401 4.359 ( -0.257 15.220 -1.224) 15.271 4.401 ( -0.504 5.034 -0.617) 5.097 4.498 ( -4.266 10.097 -2.264) 11.192 4.525 ( 3.614 1.746 3.299) 5.196 4.633 ( -0.530 12.500 0.811) 12.538 4.673 ( 0.282 3.441 0.005) 3.452 4.752 ( -1.452 0.597 0.345) 1.607 4.810 ( -1.077 1.383 0.784) 1.921 4.859 ( -0.269 -1.305 1.716) 2.172 4.884 ( -0.651 9.008 2.449) 9.358 4.904 ( -1.215 0.219 -0.838) 1.492 5.010 ( 0.065 0.144 3.381) 3.384 5.204 ( 1.558 10.365 -0.857) 10.517 5.289 ( -0.411 -12.215 0.694) 12.242 5.398 ( 3.161 -5.670 4.442) 7.866 5.457 ( -0.504 -4.781 -2.709) 5.518 5.506 ( 2.349 5.600 -2.399) 6.529 5.845 ( 1.086 -3.104 -0.696) 3.362 6.019 ( -0.243 2.571 -3.004) 3.962 6.074 ( -0.134 6.640 0.396) 6.653 6.159 ( 8.282 -2.722 1.719) 8.886 6.228 ( 1.408 1.410 -4.581) 4.996 6.365 ( 3.809 0.155 -0.889) 3.915 6.434 ( 2.724 -2.236 2.032) 4.068 6.500 ( -0.052 -2.009 -0.595) 2.096 6.572 ( -5.023 -7.146 3.776) 9.516 6.642 ( -2.068 -0.350 -2.533) 3.289 6.719 ( -4.062 0.731 1.999) 4.586 6.803 ( -1.461 -3.566 -0.843) 3.945 6.980 ( -2.622 -1.260 3.965) 4.918 7.085 ( 1.675 5.319 0.992) 5.664 7.195 ( 6.057 10.063 -2.697) 12.051 7.356 ( 2.640 -2.476 -4.977) 6.154 7.497 ( -5.067 -1.310 1.548) 5.458 7.599 ( -2.001 -2.238 1.957) 3.584 7.714 ( -0.348 -6.531 0.519) 6.560 7.728 ( 0.805 3.727 -1.230) 4.007 7.944 ( -0.823 -1.546 -2.485) 3.041 8.061 ( -1.265 -3.359 -0.616) 3.642 8.122 ( -1.796 -7.372 1.716) 7.779 8.176 ( 0.912 -2.755 0.855) 3.025 8.407 ( 1.244 -7.079 -1.125) 7.275 8.461 ( 0.835 -14.053 0.763) 14.099 8.580 ( -2.406 -5.531 1.928) 6.332 8.627 ( -3.025 3.987 -0.013) 5.005 8.822 ( 0.410 -7.692 -0.375) 7.712 8.933 ( 2.160 -3.438 -4.140) 5.799 8.967 ( 0.729 0.726 -1.664) 1.957 9.123 ( -0.546 -1.860 0.131) 1.943 9.251 ( -0.960 -7.552 2.939) 8.160 9.293 ( -1.243 -6.985 -1.466) 7.245 9.544 ( -0.212 6.627 4.542) 8.037 9.592 ( 1.846 1.357 -2.044) 3.070 9.684 ( -1.967 4.916 2.184) 5.728 9.728 ( -2.796 3.791 -0.466) 4.734 10.106 ( 1.016 6.883 0.251) 6.962 10.154 ( 3.386 7.081 -0.219) 7.852 10.295 ( -2.624 3.029 -2.295) 4.618 10.371 ( -4.960 4.819 -3.086) 7.573 10.535 ( 1.022 4.129 0.829) 4.334 10.607 ( 3.098 6.870 1.456) 7.675 10.648 ( 2.128 2.647 -1.322) 3.644 10.675 ( -1.100 7.276 -1.120) 7.444 10.769 ( 1.617 6.589 0.448) 6.800 10.927 ( 3.835 3.789 -2.633) 6.000 11.023 ( -1.709 6.720 -2.111) 7.248 11.166 ( -3.213 -0.854 5.448) 6.382 11.231 ( -0.490 7.764 3.485) 8.524 11.300 ( -1.477 5.803 2.912) 6.659 11.460 ( 1.904 3.374 -0.309) 3.886 11.564 ( -1.938 0.457 -3.313) 3.866 11.679 ( 1.336 -0.958 1.261) 2.072 11.718 ( 1.366 -4.032 -2.237) 4.809 11.817 ( 3.586 0.986 -0.196) 3.724 11.859 ( 1.369 -3.562 0.664) 3.873 11.913 ( 1.930 -5.865 0.662) 6.210 11.985 ( -2.400 -0.376 -0.105) 2.431 12.139 ( -4.647 3.328 2.608) 6.283 12.273 ( -1.777 -6.305 0.404) 6.563 12.430 ( -0.162 1.990 -4.506) 4.929 12.462 ( 1.396 -6.664 -1.288) 6.930 12.625 ( -1.362 -0.287 -1.316) 1.915 12.774 ( -1.925 -6.695 1.929) 7.228 13.001 ( -4.070 -4.935 2.363) 6.819 13.166 ( 0.188 -3.179 -1.992) 3.757 13.268 ( -0.652 -11.244 2.388) 11.513 13.440 ( 1.071 -17.121 -0.641) 17.167 16.402 ( -0.541 12.389 -0.035) 12.401 16.555 ( 2.855 7.336 2.142) 8.158 16.678 ( -4.573 6.256 0.374) 7.758 17.041 ( 3.607 -5.019 -3.507) 7.106 17.403 ( -3.680 -3.093 -1.168) 4.947 17.504 ( -6.600 10.149 1.830) 12.243 17.665 ( -0.009 2.562 0.067) 2.563 17.892 ( 6.223 4.587 0.565) 7.752 18.052 ( -2.576 -1.643 -0.357) 3.076 18.128 ( -3.152 2.428 2.693) 4.805 18.344 ( 6.988 -2.966 -0.280) 7.597 18.439 ( 0.203 4.437 -1.214) 4.605 18.696 ( -2.240 6.918 -6.125) 9.507 18.819 ( -0.979 0.055 4.027) 4.145 18.896 ( -5.151 3.966 5.179) 8.311 18.964 ( -8.011 8.729 -3.176) 12.266 19.088 ( -7.310 1.759 -2.349) 7.877 19.407 ( -10.283 -0.652 1.199) 10.374 19.935 ( -0.846 -14.491 -0.798) 14.537 20.023 ( -3.242 -20.306 -0.414) 20.568 20.473 ( 4.920 3.788 1.683) 6.433 20.516 ( 7.863 -0.478 -1.631) 8.045 20.726 ( -1.749 -3.279 3.299) 4.970 20.768 ( 3.940 -0.558 -0.369) 3.996 20.862 ( 7.201 -1.308 -1.765) 7.529 20.983 ( 6.303 0.369 -0.759) 6.359 21.049 ( 7.788 -3.997 -5.775) 10.487 21.331 ( 0.841 4.798 2.174) 5.334 21.469 ( 7.883 -4.752 6.285) 11.145 21.524 ( -1.142 5.391 -2.875) 6.216 22.042 ( -5.542 -5.043 -4.512) 8.747 22.089 ( -1.740 -10.979 5.343) 12.334 22.460 ( -2.280 21.945 -2.421) 22.195 22.489 ( -0.670 17.559 1.288) 17.619 23.142 ( -0.625 -4.398 0.866) 4.526 23.172 ( -0.090 -4.084 -0.474) 4.112 ======================= Grid point 64 (32/64) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -10.602 3.322 1.411) 11.199 1.475 ( 2.735 4.713 -4.938) 7.353 1.550 ( -8.238 8.820 -5.049) 13.083 1.595 ( 1.376 12.442 -11.989) 17.333 1.703 ( 4.188 7.783 0.071) 8.838 1.925 ( -2.153 9.557 0.024) 9.796 1.975 ( -0.446 1.894 -0.611) 2.039 2.051 ( 5.191 6.289 4.627) 9.376 2.086 ( 3.550 4.990 7.264) 9.501 2.147 ( -0.801 3.082 2.180) 3.859 2.180 ( 2.723 1.876 0.595) 3.359 2.258 ( -1.257 -2.901 -1.485) 3.493 2.317 ( 0.846 -1.300 -0.513) 1.634 2.350 ( -4.911 4.014 2.425) 6.790 2.391 ( -2.231 5.701 -0.991) 6.201 2.476 ( 2.319 -5.355 2.856) 6.497 2.521 ( -0.075 0.427 0.126) 0.452 2.543 ( -0.215 3.244 2.912) 4.365 2.571 ( 1.826 1.907 -2.671) 3.756 2.623 ( 0.692 1.708 3.254) 3.739 2.720 ( -0.865 1.029 4.725) 4.913 2.845 ( -1.518 0.318 -3.868) 4.168 2.879 ( 0.360 -3.347 -1.244) 3.589 2.948 ( 1.036 -4.547 0.619) 4.705 3.018 ( 0.390 2.497 -0.979) 2.710 3.068 ( 0.855 1.816 -0.889) 2.195 3.080 ( 4.293 -2.889 -4.280) 6.715 3.138 ( -0.650 6.315 -5.142) 8.169 3.275 ( -2.276 3.446 -3.526) 5.430 3.311 ( -2.452 4.377 -5.852) 7.708 3.399 ( 5.070 -4.775 -2.573) 7.425 3.427 ( -1.873 2.206 0.938) 3.042 3.554 ( 0.084 0.671 -1.037) 1.238 3.639 ( -1.305 4.214 6.024) 7.466 3.660 ( 0.351 8.100 4.163) 9.114 3.739 ( -1.060 9.265 -1.265) 9.411 3.802 ( -4.087 2.378 -0.963) 4.825 3.887 ( 1.994 4.650 -3.974) 6.433 3.925 ( -2.366 15.464 -0.447) 15.650 4.002 ( 1.755 10.126 2.010) 10.472 4.116 ( 2.253 5.827 -0.004) 6.247 4.163 ( 3.427 5.323 -1.094) 6.425 4.196 ( -1.662 8.741 3.889) 9.710 4.280 ( -0.895 6.442 -3.048) 7.183 4.308 ( 4.296 -1.153 -0.795) 4.518 4.367 ( 0.620 13.130 3.731) 13.664 4.387 ( -4.021 6.702 2.252) 8.134 4.444 ( 4.848 14.120 -0.274) 14.931 4.578 ( -3.677 10.817 -1.464) 11.518 4.627 ( 1.667 -0.573 2.560) 3.108 4.680 ( 1.151 6.607 0.085) 6.707 4.732 ( 0.331 -1.482 -0.071) 1.520 4.812 ( -2.084 4.835 3.858) 6.527 4.894 ( -1.456 3.507 2.002) 4.293 4.934 ( 1.553 -3.060 6.621) 7.458 4.961 ( 3.064 4.727 7.367) 9.274 5.050 ( -1.517 -1.910 4.452) 5.077 5.201 ( -0.127 5.607 -1.475) 5.800 5.294 ( -0.224 -7.536 1.843) 7.762 5.376 ( -3.204 -2.078 -2.341) 4.479 5.512 ( 2.980 -2.896 3.953) 5.735 5.522 ( 1.793 3.067 -2.362) 4.266 5.784 ( -1.899 -4.183 -7.866) 9.109 5.927 ( -2.215 1.015 -9.631) 9.935 6.097 ( 0.744 12.417 2.057) 12.608 6.176 ( -0.425 -1.075 -2.710) 2.946 6.310 ( 5.835 -2.894 0.062) 6.514 6.383 ( -3.250 -0.371 -3.071) 4.487 6.433 ( -4.845 -7.711 0.463) 9.119 6.499 ( 1.452 -4.180 -1.368) 4.631 6.544 ( 2.501 -0.399 2.659) 3.672 6.620 ( -1.860 -2.741 2.660) 4.248 6.692 ( -0.409 0.082 0.675) 0.793 6.773 ( -0.034 -2.907 -1.242) 3.161 6.966 ( -1.533 -0.775 1.819) 2.502 7.153 ( 0.810 3.952 5.984) 7.217 7.274 ( 6.421 7.661 -6.319) 11.825 7.315 ( -4.160 1.243 -0.119) 4.343 7.479 ( 1.738 0.107 1.013) 2.015 7.584 ( -1.933 -1.989 2.608) 3.807 7.674 ( -1.772 -3.737 -3.216) 5.239 7.725 ( 0.806 4.543 -1.836) 4.966 7.908 ( 0.998 -1.832 -3.330) 3.930 8.019 ( -0.074 -5.208 -4.817) 7.094 8.135 ( -1.361 -7.004 5.731) 9.152 8.220 ( 1.224 -4.667 2.759) 5.558 8.409 ( 0.326 -5.442 -1.076) 5.557 8.456 ( -0.706 -11.240 -0.354) 11.268 8.540 ( -2.365 -6.560 -0.670) 7.005 8.632 ( 0.876 0.777 2.600) 2.851 8.768 ( -2.311 -6.125 -4.291) 7.827 8.887 ( 0.983 -3.701 -9.448) 10.194 8.983 ( 2.256 1.302 -0.334) 2.626 9.086 ( -1.942 -0.112 -2.044) 2.822 9.252 ( -1.091 -7.397 1.845) 7.701 9.277 ( 0.456 -9.222 -0.558) 9.250 9.573 ( -2.004 7.998 4.362) 9.328 9.640 ( 2.733 2.479 2.426) 4.416 9.726 ( -0.125 2.586 6.685) 7.169 9.747 ( 2.823 3.475 4.706) 6.496 10.086 ( -1.576 6.746 -3.083) 7.583 10.177 ( -2.011 5.080 -3.100) 6.282 10.236 ( 1.971 4.405 -4.024) 6.284 10.290 ( 1.581 6.888 -2.872) 7.629 10.556 ( 0.058 5.374 1.621) 5.614 10.604 ( -2.136 4.678 -2.809) 5.860 10.650 ( 0.118 2.869 -1.961) 3.477 10.723 ( 3.281 10.281 5.677) 12.194 10.783 ( 0.187 4.115 -1.402) 4.351 10.976 ( 0.047 6.750 1.179) 6.852 11.016 ( 3.401 2.591 0.598) 4.318 11.186 ( -2.116 -0.095 4.183) 4.689 11.234 ( -3.851 11.772 -0.606) 12.401 11.245 ( -2.035 2.882 1.227) 3.735 11.497 ( -0.310 2.203 3.297) 3.978 11.560 ( 3.405 0.991 -0.305) 3.559 11.703 ( 0.388 -5.030 -1.212) 5.188 11.750 ( 2.600 -1.548 2.238) 3.764 11.858 ( 0.538 0.592 0.612) 1.007 11.883 ( -2.661 2.566 1.453) 3.972 11.927 ( 0.762 1.009 -1.502) 1.963 11.971 ( 2.319 -7.223 2.089) 7.869 12.074 ( -4.031 2.162 -0.617) 4.616 12.229 ( -1.722 -4.308 -2.762) 5.399 12.397 ( 1.730 -0.588 -3.554) 3.996 12.476 ( 2.109 -6.565 -2.269) 7.260 12.610 ( 0.803 -0.737 -0.149) 1.100 12.748 ( -2.220 -6.814 0.575) 7.189 12.975 ( -1.484 -4.290 1.987) 4.955 13.137 ( 0.468 -3.433 -3.490) 4.917 13.284 ( -0.941 -11.193 2.798) 11.575 13.438 ( 0.058 -15.815 -1.387) 15.876 16.412 ( -0.103 12.076 1.916) 12.227 16.598 ( 1.601 13.414 -2.358) 13.714 16.638 ( -2.568 1.048 5.327) 6.006 17.050 ( 3.714 -2.200 -5.537) 7.020 17.359 ( -1.572 -0.210 1.548) 2.216 17.467 ( 0.742 4.948 1.794) 5.315 17.705 ( 1.345 2.551 4.101) 5.014 17.946 ( -1.330 4.489 -2.386) 5.255 17.990 ( 0.475 -1.370 -2.079) 2.535 18.119 ( -2.955 -1.430 2.665) 4.229 18.346 ( -0.979 0.517 -6.038) 6.139 18.421 ( 0.442 -5.558 -2.857) 6.265 18.682 ( -2.116 6.221 -0.764) 6.615 18.699 ( -0.244 7.475 -3.252) 8.156 18.949 ( 1.879 8.352 4.792) 9.810 18.967 ( -2.021 3.767 4.472) 6.187 19.031 ( 7.766 2.926 3.103) 8.860 19.265 ( -3.817 2.605 -3.662) 5.896 19.939 ( 1.090 -18.303 0.784) 18.352 19.993 ( 0.066 -23.187 -0.504) 23.192 20.517 ( -1.935 2.903 0.669) 3.553 20.602 ( 4.491 -1.216 -2.216) 5.153 20.704 ( -4.849 -0.421 3.711) 6.120 20.822 ( 1.050 -0.070 0.571) 1.198 20.925 ( 0.466 -1.264 0.857) 1.597 21.069 ( 1.452 -2.874 -1.197) 3.435 21.142 ( 6.983 1.586 -0.265) 7.166 21.284 ( -2.903 7.771 -0.125) 8.297 21.478 ( 3.000 6.847 -1.908) 7.715 21.526 ( -9.637 -6.567 -5.005) 12.690 22.030 ( 6.424 -6.378 3.300) 9.636 22.080 ( -4.853 -13.179 2.604) 14.283 22.449 ( 2.645 22.714 0.469) 22.872 22.480 ( -1.096 16.776 -0.040) 16.812 23.138 ( -0.756 -4.537 0.576) 4.635 23.173 ( 0.510 -4.066 -0.109) 4.099 ======================= Grid point 65 (33/64) ======================= q-point: (-0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -9.618 13.495 1.886) 16.679 1.228 ( -12.148 17.036 -7.810) 22.334 1.306 ( -7.089 11.730 -6.152) 15.023 1.706 ( 9.154 5.934 0.014) 10.909 1.883 ( 3.580 3.095 -0.072) 4.733 1.925 ( 5.835 8.883 3.380) 11.153 2.011 ( 3.142 1.106 -0.737) 3.412 2.092 ( -0.748 0.805 -3.448) 3.619 2.153 ( -1.634 6.051 4.891) 7.951 2.212 ( 2.519 0.284 -0.174) 2.541 2.256 ( 0.883 0.129 -1.135) 1.444 2.294 ( 6.094 1.585 4.037) 7.480 2.323 ( 2.711 1.585 -1.172) 3.352 2.337 ( 0.409 3.716 1.263) 3.946 2.419 ( 2.555 1.953 4.253) 5.332 2.504 ( 1.189 5.322 -2.576) 6.031 2.527 ( 1.559 -1.543 -0.593) 2.272 2.567 ( 3.817 4.051 -1.507) 5.767 2.628 ( 0.766 0.713 5.508) 5.606 2.669 ( 2.048 -0.305 -2.489) 3.237 2.731 ( -1.285 -0.970 -0.358) 1.649 2.778 ( 0.345 1.270 3.829) 4.049 2.868 ( -2.606 2.152 1.031) 3.533 2.958 ( 0.512 3.935 -1.431) 4.218 3.003 ( 0.182 -3.372 -1.143) 3.565 3.055 ( 0.002 3.422 -6.340) 7.204 3.122 ( 3.892 -5.289 -0.010) 6.567 3.134 ( 4.934 3.993 -2.800) 6.938 3.199 ( 2.453 0.522 -7.990) 8.374 3.236 ( 1.287 0.900 -0.841) 1.781 3.393 ( -3.060 2.451 0.500) 3.952 3.476 ( 2.055 -4.086 3.467) 5.739 3.517 ( -8.169 1.972 -2.673) 8.819 3.614 ( 1.600 1.952 0.950) 2.697 3.666 ( 0.505 3.010 4.398) 5.353 3.762 ( -1.002 9.275 1.400) 9.433 3.805 ( -1.571 10.359 1.784) 10.628 3.876 ( 1.504 14.710 0.698) 14.803 3.917 ( 2.303 3.997 -3.814) 5.986 4.068 ( 3.313 4.989 -1.823) 6.260 4.124 ( -2.235 2.313 -2.123) 3.854 4.152 ( -1.182 8.299 2.114) 8.646 4.178 ( -0.881 2.652 0.781) 2.902 4.266 ( -2.838 12.193 -3.392) 12.971 4.309 ( 3.611 7.772 0.641) 8.594 4.415 ( 5.712 1.024 0.576) 5.831 4.449 ( 2.203 11.965 1.835) 12.304 4.517 ( -1.490 10.426 0.648) 10.552 4.559 ( 1.993 10.843 3.093) 11.450 4.638 ( -1.298 1.352 0.241) 1.889 4.700 ( 1.787 5.647 -1.771) 6.182 4.743 ( 0.430 -5.717 -4.319) 7.178 4.796 ( -2.779 3.936 3.846) 6.165 4.920 ( -1.905 5.972 6.951) 9.360 5.012 ( -1.970 -0.889 2.654) 3.423 5.023 ( -0.884 -4.148 3.945) 5.792 5.113 ( 0.971 1.564 4.353) 4.726 5.195 ( 0.401 3.783 1.913) 4.258 5.292 ( -2.397 3.810 -0.259) 4.509 5.367 ( 2.354 -7.422 6.984) 10.459 5.514 ( 1.639 3.839 -3.193) 5.256 5.603 ( -0.895 -6.300 0.400) 6.375 5.659 ( 2.155 4.771 -5.828) 7.834 5.753 ( -2.355 2.663 -11.633) 12.164 6.063 ( -4.604 4.239 -0.987) 6.335 6.200 ( -0.949 6.411 3.257) 7.254 6.226 ( -5.051 -6.463 -3.026) 8.743 6.319 ( -4.968 5.386 -1.523) 7.484 6.404 ( 1.544 -6.715 0.826) 6.940 6.515 ( 0.894 -0.588 -1.468) 1.817 6.554 ( -1.892 -6.160 0.885) 6.505 6.647 ( 0.207 -3.291 4.424) 5.518 6.765 ( 6.543 -1.659 -0.077) 6.751 6.793 ( 3.771 -5.462 -0.978) 6.709 6.970 ( -0.405 -1.227 0.925) 1.589 7.197 ( -3.045 -0.544 -4.496) 5.458 7.231 ( -1.313 4.613 3.901) 6.183 7.262 ( -1.993 9.283 -1.005) 9.548 7.547 ( 2.483 -0.520 -0.072) 2.538 7.604 ( -0.463 -4.347 -4.225) 6.079 7.617 ( 1.806 3.876 4.610) 6.288 7.712 ( -0.078 3.265 -0.903) 3.388 7.921 ( 3.367 -0.978 -1.657) 3.878 7.964 ( 1.283 -6.590 -5.549) 8.710 8.178 ( -0.804 -6.002 4.012) 7.264 8.260 ( -0.164 -7.758 1.918) 7.993 8.399 ( -0.890 -7.981 -0.052) 8.031 8.463 ( -0.977 -5.860 3.700) 6.999 8.486 ( -0.395 -7.246 -2.993) 7.850 8.637 ( -2.296 -7.209 -1.578) 7.729 8.732 ( 2.225 -2.053 0.547) 3.076 8.780 ( -0.292 -2.413 -8.225) 8.576 9.012 ( 0.779 1.561 -1.602) 2.369 9.036 ( -0.476 0.348 -0.796) 0.991 9.262 ( 0.049 -9.532 0.829) 9.568 9.297 ( 2.166 -8.201 0.230) 8.486 9.581 ( -1.790 7.911 2.980) 8.641 9.740 ( 3.969 1.537 3.513) 5.518 9.817 ( -0.184 0.459 7.524) 7.541 9.867 ( 3.240 2.623 5.573) 6.959 10.013 ( -1.063 7.921 -3.246) 8.626 10.075 ( -2.212 7.962 -5.103) 9.712 10.219 ( 0.862 2.158 -4.991) 5.506 10.323 ( 5.032 2.918 -5.668) 8.122 10.535 ( -2.902 3.820 0.307) 4.806 10.559 ( -0.431 6.382 -0.594) 6.425 10.634 ( -1.277 6.818 1.969) 7.211 10.745 ( -1.328 4.009 -1.523) 4.489 10.873 ( 5.574 8.872 3.765) 11.134 10.970 ( -1.428 7.756 0.216) 7.889 11.062 ( -3.989 11.651 -4.866) 13.241 11.116 ( 2.058 0.783 3.576) 4.200 11.234 ( -0.668 6.097 4.626) 7.683 11.262 ( -0.324 0.662 1.859) 2.000 11.542 ( 0.647 -0.049 3.819) 3.873 11.617 ( 2.326 0.468 -0.145) 2.377 11.707 ( 1.107 -4.116 0.050) 4.262 11.773 ( -0.628 -3.844 -3.452) 5.205 11.818 ( -1.455 2.006 1.304) 2.801 11.893 ( -1.722 4.376 5.149) 6.974 11.947 ( -0.165 -1.364 -1.919) 2.361 11.985 ( -1.257 1.395 -2.902) 3.456 12.033 ( -0.426 -6.340 3.606) 7.306 12.177 ( 1.578 -0.461 -3.989) 4.314 12.414 ( 3.783 -0.476 -2.130) 4.367 12.484 ( 2.647 -6.250 -3.690) 7.725 12.646 ( 1.516 -1.324 2.083) 2.897 12.717 ( -0.981 -5.369 -0.735) 5.507 12.992 ( 0.697 -4.352 2.175) 4.915 13.119 ( 1.790 -3.570 -2.725) 4.835 13.295 ( -1.557 -12.570 3.137) 13.049 13.416 ( -0.344 -14.526 -1.676) 14.626 16.385 ( -3.805 9.805 0.386) 10.524 16.637 ( -0.723 2.617 1.231) 2.981 16.701 ( 7.349 9.458 3.924) 12.604 17.060 ( 4.102 -2.111 -5.515) 7.190 17.368 ( 0.159 2.806 1.524) 3.197 17.533 ( 3.772 2.520 0.292) 4.545 17.778 ( -0.128 1.861 3.552) 4.012 17.932 ( 5.006 5.727 1.358) 7.727 17.954 ( -2.554 0.764 -0.548) 2.722 18.077 ( -1.001 -1.035 -1.935) 2.413 18.289 ( -3.866 -1.801 0.960) 4.372 18.375 ( 2.193 -1.940 -7.178) 7.752 18.568 ( -3.588 3.038 0.133) 4.703 18.776 ( 6.284 7.462 0.246) 9.758 18.968 ( -2.141 4.438 -0.165) 4.930 19.090 ( 7.730 3.997 2.418) 9.032 19.218 ( 7.320 5.977 -0.301) 9.455 19.341 ( 17.032 1.941 1.378) 17.198 19.973 ( 1.142 -20.965 0.749) 21.009 19.983 ( -0.221 -20.495 -2.023) 20.596 20.440 ( -5.882 2.443 0.162) 6.371 20.603 ( -5.602 6.206 -0.563) 8.379 20.627 ( -5.864 -1.818 1.696) 6.369 20.816 ( -3.026 0.310 1.695) 3.482 20.914 ( -1.318 -3.254 -0.115) 3.513 21.001 ( -4.722 -1.581 -2.195) 5.442 21.172 ( -14.222 -2.876 -6.416) 15.865 21.265 ( 2.174 -2.486 3.821) 5.050 21.280 ( -1.123 7.388 0.883) 7.525 21.587 ( 6.215 6.571 0.654) 9.068 21.927 ( -9.272 -12.653 -1.186) 15.731 22.228 ( 7.052 -6.444 3.140) 10.055 22.453 ( -0.906 15.990 -1.332) 16.071 22.555 ( 7.205 19.698 1.517) 21.029 23.129 ( -0.856 -4.809 0.421) 4.903 23.187 ( 1.002 -3.380 0.028) 3.526 ======================= Grid point 66 (34/64) ======================= q-point: (-0.17 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -3.528 21.802 6.489) 23.019 1.034 ( -3.803 24.554 3.897) 25.150 1.190 ( -4.311 16.582 4.808) 17.795 1.830 ( 1.720 -0.009 0.537) 1.802 1.884 ( 3.447 4.948 -3.200) 6.826 1.937 ( -8.548 21.500 -0.284) 23.138 2.032 ( 0.524 -0.845 -1.910) 2.153 2.091 ( 4.186 3.983 -0.835) 5.839 2.191 ( 3.374 3.952 2.307) 5.685 2.230 ( 1.025 1.606 -0.010) 1.905 2.299 ( 1.081 1.633 -0.325) 1.985 2.334 ( 3.918 2.059 -2.230) 4.956 2.392 ( -1.441 -0.829 0.191) 1.673 2.419 ( 5.858 0.710 0.087) 5.902 2.463 ( 1.706 0.877 3.125) 3.666 2.538 ( 1.247 0.840 -0.147) 1.510 2.567 ( -0.603 -1.120 1.494) 1.962 2.586 ( 0.224 4.551 -2.021) 4.985 2.683 ( 7.429 -0.222 1.303) 7.545 2.714 ( 4.848 -0.895 -0.328) 4.941 2.808 ( 1.559 0.114 0.802) 1.757 2.833 ( -0.330 2.957 1.278) 3.238 2.853 ( 0.632 -2.262 2.262) 3.261 2.912 ( 1.880 -1.377 -4.901) 5.427 3.007 ( -2.257 -4.626 -0.085) 5.148 3.020 ( 1.611 -2.799 -0.463) 3.262 3.143 ( -0.832 -3.539 -1.570) 3.960 3.157 ( 5.176 3.134 -8.667) 10.570 3.184 ( 3.317 -1.856 -3.285) 5.024 3.300 ( 2.213 4.240 -1.036) 4.894 3.366 ( 0.404 3.359 0.209) 3.389 3.419 ( -2.482 -1.800 4.305) 5.285 3.557 ( 0.785 -5.215 3.661) 6.420 3.595 ( -4.065 6.909 5.919) 9.964 3.702 ( -4.149 1.586 -3.876) 5.895 3.729 ( -1.639 8.370 -2.855) 8.994 3.755 ( 0.731 11.631 2.728) 11.969 3.904 ( -0.636 3.786 1.682) 4.191 3.939 ( 4.083 8.863 -2.576) 10.092 4.057 ( -0.332 11.602 0.600) 11.622 4.103 ( 0.494 5.285 -1.658) 5.561 4.124 ( -3.898 2.968 1.364) 5.086 4.175 ( -0.374 8.449 -0.778) 8.493 4.306 ( 4.916 8.970 5.293) 11.517 4.359 ( 2.048 2.058 -3.564) 4.597 4.407 ( 0.132 7.694 -5.710) 9.582 4.499 ( 0.714 8.436 1.585) 8.613 4.524 ( -1.307 9.638 -4.397) 10.674 4.576 ( -1.456 2.927 -1.614) 3.646 4.618 ( 1.682 10.437 2.092) 10.776 4.701 ( 2.337 -1.842 0.513) 3.020 4.719 ( 0.772 -0.269 1.538) 1.742 4.801 ( -2.498 -1.191 2.180) 3.523 4.960 ( -1.355 6.749 3.421) 7.687 4.979 ( -1.174 2.187 -3.401) 4.211 5.033 ( -1.901 0.823 2.410) 3.178 5.117 ( -2.356 1.712 1.737) 3.390 5.215 ( 0.422 8.833 -2.170) 9.105 5.266 ( -0.690 3.738 0.032) 3.801 5.478 ( -0.341 -3.589 -2.724) 4.519 5.499 ( -0.327 -7.861 -4.657) 9.143 5.531 ( -1.516 -2.666 -3.863) 4.932 5.603 ( 5.238 3.444 2.688) 6.821 5.801 ( 4.329 9.708 6.994) 12.725 5.935 ( -6.819 -1.246 -1.711) 7.140 6.107 ( -3.900 2.673 -0.111) 4.730 6.180 ( -5.221 -0.058 0.549) 5.250 6.275 ( 1.875 4.780 -1.837) 5.453 6.410 ( -2.649 -0.617 2.142) 3.462 6.494 ( -0.267 -0.765 -0.574) 0.993 6.568 ( 1.836 -11.494 -0.567) 11.653 6.733 ( 2.298 -2.625 5.051) 6.139 6.836 ( 2.022 -0.927 0.152) 2.230 6.865 ( 3.683 -3.768 -1.808) 5.571 6.946 ( 0.659 -2.872 -4.906) 5.723 7.102 ( -1.505 3.640 -2.218) 4.520 7.196 ( -2.817 3.779 -0.009) 4.713 7.260 ( -3.276 8.908 5.990) 11.223 7.562 ( 0.358 -2.887 1.161) 3.132 7.587 ( 1.749 -7.528 -1.524) 7.877 7.666 ( 0.856 3.161 -1.426) 3.572 7.757 ( 2.607 5.252 2.725) 6.465 7.953 ( 1.315 -3.003 -0.388) 3.301 7.972 ( 3.559 -6.156 -1.196) 7.210 8.173 ( -1.461 -3.023 -1.553) 3.699 8.263 ( -0.229 -10.864 -0.122) 10.867 8.366 ( -1.285 -9.823 -1.478) 10.016 8.444 ( -2.276 -7.239 4.277) 8.711 8.535 ( 1.672 -6.113 1.964) 6.634 8.612 ( -0.209 -7.513 2.425) 7.898 8.670 ( -0.848 -2.949 -3.290) 4.499 8.838 ( 4.978 -1.110 1.239) 5.249 8.964 ( -1.871 -0.727 -3.185) 3.765 9.054 ( 0.322 2.149 1.819) 2.834 9.263 ( -0.798 -10.254 0.346) 10.291 9.347 ( 2.504 -7.240 0.150) 7.662 9.572 ( -1.289 7.858 0.136) 7.964 9.807 ( 0.307 2.782 -1.473) 3.163 9.838 ( -1.266 1.317 -0.439) 1.879 9.932 ( 0.558 0.506 -1.066) 1.305 10.005 ( 2.074 9.085 -0.302) 9.324 10.073 ( 1.525 4.762 4.157) 6.503 10.174 ( 1.248 2.742 -1.863) 3.542 10.306 ( -0.390 -0.654 -2.724) 2.829 10.508 ( -0.693 3.690 0.452) 3.782 10.582 ( 2.101 2.559 -0.427) 3.338 10.623 ( -1.721 10.919 1.441) 11.147 10.716 ( 0.426 6.773 -1.198) 6.892 10.912 ( -5.590 6.156 -0.509) 8.331 10.927 ( 0.690 17.244 -4.380) 17.805 11.017 ( 4.339 5.055 -1.197) 6.768 11.174 ( 0.315 0.989 1.927) 2.188 11.255 ( -2.257 3.714 2.345) 4.938 11.309 ( 1.065 -0.092 5.218) 5.327 11.577 ( 0.366 -2.711 -0.284) 2.751 11.634 ( 0.180 0.022 -0.276) 0.330 11.708 ( -0.371 -1.187 -2.133) 2.469 11.726 ( 1.427 -4.220 -5.139) 6.801 11.818 ( 0.291 -3.578 -1.853) 4.040 11.841 ( -2.974 1.904 -3.974) 5.316 11.947 ( -1.273 -1.466 6.990) 7.254 11.967 ( -1.973 -0.926 2.015) 2.969 12.046 ( -0.065 -1.933 0.198) 1.944 12.223 ( 4.874 2.638 1.177) 5.666 12.460 ( 1.714 -3.509 -0.617) 3.953 12.500 ( 4.573 -0.857 -4.161) 6.242 12.692 ( 0.009 -7.316 1.661) 7.503 12.699 ( 0.277 0.804 0.156) 0.865 13.041 ( 1.401 -4.425 2.367) 5.210 13.145 ( 3.378 -4.553 -1.273) 5.810 13.295 ( -2.842 -14.510 3.445) 15.182 13.396 ( 0.080 -14.063 -1.155) 14.110 16.333 ( -2.031 9.075 0.605) 9.319 16.624 ( -1.812 1.798 1.180) 2.812 16.865 ( 5.811 2.749 -0.284) 6.435 17.062 ( 2.669 -5.434 -5.769) 8.363 17.397 ( 1.249 5.112 2.074) 5.656 17.571 ( 0.797 0.420 -0.737) 1.163 17.778 ( -1.168 1.620 -0.523) 2.064 17.891 ( -3.146 -4.810 1.228) 5.877 18.041 ( 0.537 2.953 -0.405) 3.029 18.184 ( 4.466 2.876 0.756) 5.366 18.263 ( 6.194 4.594 5.592) 9.526 18.360 ( 3.398 2.823 -5.221) 6.839 18.584 ( 5.717 0.106 0.620) 5.752 18.879 ( 3.910 3.418 -0.326) 5.203 18.956 ( 2.229 6.020 -0.826) 6.472 19.250 ( 8.739 2.192 -1.667) 9.162 19.360 ( 9.380 2.337 -2.119) 9.896 19.659 ( 12.856 0.435 -1.545) 12.956 19.967 ( 3.012 -6.991 -0.929) 7.669 20.007 ( 2.373 -17.938 3.113) 18.360 20.359 ( -2.687 -1.803 0.303) 3.250 20.413 ( -12.238 8.085 0.345) 14.671 20.512 ( -8.404 -2.081 -0.539) 8.675 20.765 ( -4.253 -0.722 -0.897) 4.406 20.770 ( -9.545 -2.323 -1.719) 9.972 20.912 ( -3.206 -4.259 -2.685) 5.969 20.979 ( -4.678 -2.006 1.318) 5.257 21.217 ( -12.151 -8.396 0.855) 14.795 21.311 ( 1.149 7.493 2.944) 8.132 21.617 ( -0.477 3.868 -1.325) 4.117 21.851 ( 1.045 -3.531 2.653) 4.538 22.338 ( 2.973 -9.113 -0.313) 9.591 22.427 ( -0.049 19.154 -0.737) 19.168 22.695 ( 7.021 15.215 -2.478) 16.939 23.123 ( -0.530 -4.877 1.060) 5.019 23.202 ( 0.707 -2.679 -0.372) 2.796 ======================= Grid point 67 (35/64) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -0.344 18.424 10.052) 20.990 1.543 ( -0.379 20.255 6.288) 21.212 1.638 ( -2.883 20.835 3.282) 21.288 1.763 ( 0.410 -8.671 6.448) 10.813 1.889 ( 0.844 -11.801 3.813) 12.430 2.008 ( -0.491 -1.929 -0.287) 2.011 2.050 ( 2.338 -0.797 -0.833) 2.607 2.201 ( -1.790 -0.689 -1.522) 2.448 2.216 ( 5.167 -2.619 -1.512) 5.987 2.246 ( -2.719 -0.325 -1.223) 2.999 2.258 ( 0.821 -1.490 -2.202) 2.782 2.288 ( 3.368 -1.649 -4.536) 5.885 2.418 ( -3.719 1.105 -1.825) 4.287 2.457 ( -2.658 -2.118 -0.893) 3.514 2.496 ( -2.356 0.166 0.610) 2.439 2.532 ( 0.256 0.444 2.071) 2.133 2.598 ( -0.031 -0.297 0.131) 0.326 2.646 ( 0.504 -0.469 -2.043) 2.156 2.660 ( 0.691 2.630 -1.669) 3.191 2.695 ( -2.419 -1.398 0.521) 2.842 2.761 ( 0.353 -0.121 -2.482) 2.510 2.847 ( 0.125 3.566 -2.030) 4.105 2.861 ( -1.460 -5.494 -3.390) 6.619 2.903 ( -1.451 3.765 -3.408) 5.281 2.961 ( -1.712 -0.476 2.815) 3.328 3.024 ( 1.120 -6.136 -5.512) 8.324 3.120 ( 1.829 5.624 2.193) 6.308 3.156 ( 3.699 7.524 1.470) 8.512 3.262 ( 0.821 -4.042 0.994) 4.243 3.341 ( 1.101 -3.126 4.516) 5.602 3.453 ( 6.859 6.064 -1.167) 9.230 3.505 ( 4.579 4.362 -1.789) 6.572 3.581 ( 1.808 4.171 2.098) 5.007 3.658 ( 1.265 -1.775 -0.234) 2.192 3.688 ( -4.493 3.824 6.970) 9.132 3.809 ( -2.655 -4.171 1.915) 5.302 3.855 ( 1.372 0.503 2.499) 2.895 3.902 ( -3.950 -0.815 3.618) 5.418 4.044 ( -2.776 0.840 -1.560) 3.293 4.088 ( -0.910 -3.890 -2.980) 4.984 4.182 ( 2.770 6.306 -0.861) 6.941 4.214 ( -0.706 2.773 0.217) 2.870 4.349 ( 0.361 11.959 -1.246) 12.029 4.391 ( 1.687 1.940 -0.138) 2.575 4.423 ( 1.093 -2.338 -2.486) 3.584 4.507 ( -0.287 0.666 -3.462) 3.537 4.533 ( -0.361 3.563 -2.901) 4.609 4.624 ( -0.918 -1.631 -2.038) 2.767 4.647 ( -0.129 -2.798 -0.786) 2.909 4.682 ( -0.798 -0.201 0.390) 0.910 4.801 ( 0.510 8.813 -1.063) 8.891 4.838 ( -0.244 5.776 -2.263) 6.209 4.888 ( -1.610 5.422 2.162) 6.055 4.963 ( -0.128 -0.847 1.590) 1.806 5.036 ( -1.360 4.358 4.019) 6.082 5.071 ( -3.993 1.573 -1.261) 4.473 5.097 ( -0.609 5.726 1.332) 5.910 5.239 ( -2.020 3.273 -6.766) 7.783 5.250 ( 0.914 -6.847 -3.263) 7.640 5.323 ( -0.599 -1.514 -2.690) 3.145 5.542 ( -1.946 7.267 0.092) 7.524 5.604 ( 2.544 7.032 -1.544) 7.636 5.755 ( -0.416 -0.148 3.783) 3.809 5.871 ( 1.296 3.586 -0.196) 3.818 5.959 ( 0.752 -5.570 1.304) 5.770 6.008 ( 3.570 -4.460 -1.423) 5.888 6.175 ( -0.515 -3.632 4.487) 5.796 6.254 ( 0.330 -6.682 -1.498) 6.856 6.457 ( -0.129 9.174 4.105) 10.051 6.507 ( 0.667 1.678 0.918) 2.026 6.553 ( 1.162 5.629 -0.657) 5.785 6.738 ( 0.315 -9.183 -5.378) 10.647 6.795 ( -0.957 0.067 1.099) 1.459 6.845 ( -3.192 0.648 3.057) 4.467 6.901 ( 2.271 8.119 1.182) 8.513 7.129 ( -0.023 -6.834 0.943) 6.898 7.232 ( 0.849 6.249 -4.221) 7.589 7.338 ( 0.629 -2.695 -5.620) 6.264 7.454 ( 0.318 -4.118 2.458) 4.806 7.493 ( -1.177 -5.638 4.734) 7.455 7.744 ( 0.952 6.165 0.475) 6.256 7.816 ( -2.930 1.144 -2.174) 3.824 7.910 ( 2.607 -2.787 3.175) 4.964 7.988 ( 1.341 -6.309 -1.894) 6.722 8.088 ( -1.145 2.081 1.933) 3.062 8.176 ( -0.152 3.940 -1.330) 4.162 8.195 ( 1.739 -5.031 -2.089) 5.718 8.274 ( -0.099 -5.365 -1.957) 5.711 8.475 ( -0.955 -2.493 4.484) 5.219 8.519 ( -0.434 -6.558 7.527) 9.993 8.715 ( 2.559 0.733 5.118) 5.769 8.794 ( 0.442 -6.797 1.164) 6.910 8.944 ( -0.695 4.667 -1.416) 4.926 9.064 ( -1.162 -7.098 -1.080) 7.273 9.148 ( -0.239 3.788 1.368) 4.035 9.249 ( 0.007 -5.866 0.105) 5.867 9.653 ( -0.941 4.518 -4.367) 6.354 9.717 ( -1.753 -2.191 -5.746) 6.395 9.875 ( -0.757 4.234 -1.528) 4.564 9.930 ( -0.483 -0.807 -1.098) 1.446 10.172 ( 0.306 5.381 1.430) 5.576 10.194 ( 1.056 3.491 2.119) 4.218 10.296 ( 2.177 0.472 3.397) 4.062 10.309 ( 3.513 -1.160 2.285) 4.348 10.557 ( -1.005 2.133 -1.574) 2.835 10.576 ( -0.366 0.178 -1.311) 1.372 10.768 ( -0.849 4.850 -1.049) 5.035 10.828 ( -1.247 -0.562 -2.427) 2.786 10.966 ( 1.837 10.105 -0.289) 10.275 11.084 ( -0.611 5.538 -4.825) 7.370 11.148 ( 4.863 -5.597 1.154) 7.504 11.181 ( -2.021 -2.719 -1.842) 3.856 11.336 ( -5.171 7.429 3.121) 9.575 11.404 ( -1.895 8.088 2.067) 8.561 11.510 ( -0.993 0.425 -4.022) 4.165 11.551 ( -0.334 -0.105 1.401) 1.444 11.617 ( -0.009 -6.312 -1.060) 6.401 11.703 ( 0.896 -3.941 -1.303) 4.246 11.738 ( -0.972 -1.916 0.107) 2.151 11.760 ( 0.633 -2.049 0.737) 2.268 11.843 ( 1.457 2.615 -3.305) 4.459 11.943 ( 1.378 -6.500 -2.852) 7.231 12.157 ( 0.124 6.034 2.382) 6.489 12.297 ( 1.494 -8.675 -2.548) 9.164 12.351 ( -2.003 5.175 4.981) 7.457 12.504 ( -1.008 -8.486 4.627) 9.718 12.678 ( 1.842 6.596 -1.394) 6.989 12.747 ( 0.350 0.687 -0.428) 0.882 12.979 ( -1.637 -3.840 1.405) 4.405 13.022 ( 1.552 -7.580 1.652) 7.911 13.132 ( -0.256 -1.917 -0.573) 2.018 13.169 ( -0.427 -6.632 -1.382) 6.788 16.476 ( -0.551 5.575 2.432) 6.107 16.567 ( -1.553 -3.796 0.840) 4.186 16.884 ( 0.940 -0.235 -3.367) 3.504 16.918 ( 1.647 -3.852 -3.852) 5.691 17.570 ( -4.300 5.359 2.294) 7.244 17.609 ( 2.037 3.960 1.782) 4.796 17.726 ( -1.176 -1.400 -3.132) 3.626 17.794 ( 4.415 -6.037 -1.175) 7.571 18.138 ( -0.417 2.544 2.185) 3.379 18.169 ( -2.343 -1.029 2.213) 3.383 18.507 ( -0.243 9.880 0.541) 9.897 18.544 ( 3.474 13.312 0.351) 13.762 18.655 ( -1.781 -1.729 4.765) 5.373 18.885 ( -1.452 -9.923 1.742) 10.179 19.044 ( -0.705 4.641 -2.086) 5.137 19.202 ( 0.658 -12.554 -4.056) 13.209 19.481 ( 0.453 6.607 -0.445) 6.637 19.614 ( 5.524 -6.316 -5.852) 10.230 20.064 ( -6.981 3.228 3.384) 8.402 20.086 ( 1.401 1.336 1.411) 2.395 20.341 ( -1.767 1.423 0.084) 2.270 20.380 ( 6.952 -1.458 1.498) 7.260 20.400 ( 2.638 2.460 -1.192) 3.799 20.509 ( -7.399 -8.845 -1.998) 11.703 20.680 ( 1.642 1.159 0.243) 2.024 20.711 ( 0.248 -1.635 0.042) 1.654 20.904 ( -0.357 -0.661 -4.457) 4.520 20.935 ( -0.874 -3.669 -5.180) 6.408 21.529 ( -0.193 7.914 5.855) 9.846 21.658 ( 0.318 -4.060 4.702) 6.220 21.949 ( -0.138 7.373 -0.247) 7.378 22.136 ( -0.209 -10.348 -2.982) 10.771 22.763 ( 0.357 13.327 0.747) 13.353 22.914 ( 0.644 3.968 -4.336) 5.913 23.029 ( -0.894 -2.512 1.834) 3.236 23.120 ( -0.208 -5.660 -1.440) 5.844 ======================= Grid point 68 (36/64) ======================= q-point: ( 0.17 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -6.399 20.619 4.869) 22.131 1.632 ( -1.166 12.747 3.614) 13.300 1.651 ( 1.642 12.408 10.562) 16.377 1.841 ( -1.574 -7.052 7.244) 10.231 1.929 ( -0.976 -4.400 1.664) 4.805 1.974 ( -3.532 -12.149 2.585) 12.913 2.044 ( -0.008 7.393 -4.455) 8.631 2.124 ( -3.454 3.080 -1.040) 4.743 2.174 ( -2.288 -1.986 -2.980) 4.249 2.232 ( -0.461 -0.716 -4.326) 4.409 2.269 ( -0.242 -0.013 -1.117) 1.143 2.314 ( -3.024 -2.190 0.909) 3.843 2.363 ( 1.819 -2.227 0.270) 2.888 2.398 ( 0.520 -0.370 -3.301) 3.362 2.446 ( -0.261 -1.515 0.820) 1.742 2.480 ( -4.518 -3.243 0.339) 5.572 2.564 ( -3.612 0.548 -0.977) 3.782 2.583 ( -4.240 -1.773 -1.008) 4.705 2.642 ( -3.193 2.165 -1.321) 4.078 2.670 ( -1.337 -0.268 0.760) 1.561 2.740 ( 1.140 0.275 -2.908) 3.136 2.801 ( 0.375 0.114 -2.719) 2.747 2.827 ( -2.732 5.391 0.487) 6.063 2.865 ( 3.130 1.088 -3.638) 4.921 2.977 ( -1.592 -2.773 2.812) 4.258 3.017 ( 2.425 -7.642 -1.794) 8.216 3.179 ( 1.776 4.164 -1.140) 4.668 3.187 ( 1.728 2.964 -0.801) 3.523 3.340 ( -0.431 6.101 3.904) 7.256 3.399 ( 6.153 0.777 0.038) 6.202 3.485 ( 0.243 4.468 -2.674) 5.213 3.548 ( -1.935 1.012 -0.187) 2.192 3.577 ( -3.115 3.291 1.758) 4.861 3.646 ( 2.357 -0.593 -3.992) 4.674 3.714 ( -4.013 5.631 6.191) 9.282 3.790 ( -2.351 -1.805 4.636) 5.502 3.927 ( 2.078 2.997 1.204) 3.840 3.998 ( 4.192 -1.991 0.608) 4.680 4.020 ( 5.734 -1.041 1.893) 6.128 4.066 ( 4.864 -1.351 -0.545) 5.077 4.181 ( -4.457 7.247 -0.656) 8.533 4.214 ( -1.688 1.395 0.306) 2.212 4.280 ( -3.360 2.599 -3.474) 5.487 4.357 ( -3.728 -2.929 -1.421) 4.950 4.432 ( 0.781 1.808 -0.351) 2.001 4.456 ( 1.376 4.643 -2.290) 5.357 4.518 ( 1.815 8.138 -2.078) 8.593 4.596 ( 1.030 -1.358 -5.480) 5.739 4.637 ( -3.116 -5.173 2.282) 6.456 4.640 ( 0.719 -1.211 -0.064) 1.409 4.797 ( -0.124 6.309 -3.353) 7.146 4.813 ( -0.095 4.689 0.017) 4.690 4.926 ( -0.967 4.806 3.727) 6.158 4.969 ( -1.525 1.847 -0.294) 2.413 4.999 ( -1.063 1.751 2.854) 3.513 5.050 ( -2.308 1.899 3.023) 4.251 5.086 ( -0.730 3.692 -2.091) 4.305 5.142 ( -0.448 10.801 -2.253) 11.042 5.243 ( 1.133 -1.839 -1.239) 2.490 5.304 ( 2.143 -2.530 -2.731) 4.296 5.490 ( -3.383 6.106 -0.321) 6.988 5.644 ( 2.906 -0.175 -1.307) 3.191 5.743 ( -2.384 3.697 1.803) 4.755 5.917 ( 3.325 -6.227 0.455) 7.074 5.980 ( 1.177 -0.947 -1.209) 1.935 6.060 ( 2.819 -9.057 -2.026) 9.700 6.232 ( 1.009 -0.715 3.844) 4.038 6.272 ( 0.735 -4.667 3.165) 5.686 6.487 ( -0.592 8.656 -0.424) 8.687 6.511 ( 0.041 4.328 0.702) 4.385 6.596 ( 3.157 2.146 -1.315) 4.037 6.668 ( -0.565 -6.622 -5.328) 8.518 6.779 ( -2.411 5.428 2.640) 6.500 6.847 ( -1.446 6.708 5.046) 8.518 6.932 ( -1.040 0.779 2.149) 2.511 7.132 ( 0.085 -9.517 -0.284) 9.522 7.206 ( 0.561 3.630 -3.512) 5.082 7.269 ( 0.907 -4.271 -7.227) 8.444 7.513 ( 1.775 -4.279 3.635) 5.889 7.525 ( -0.696 -4.237 3.835) 5.757 7.720 ( -2.713 6.973 -1.490) 7.629 7.799 ( 1.592 3.362 0.698) 3.784 7.932 ( -0.836 -2.817 -1.129) 3.148 8.013 ( 2.344 -6.501 0.144) 6.912 8.071 ( -2.313 3.719 0.843) 4.460 8.177 ( 0.424 5.360 0.070) 5.377 8.202 ( 1.138 -8.424 -1.398) 8.615 8.283 ( 2.227 -4.717 -1.067) 5.324 8.493 ( -1.599 -0.843 3.538) 3.973 8.593 ( 0.929 -9.530 3.558) 10.215 8.773 ( -2.607 2.815 2.429) 4.541 8.837 ( 0.255 -4.120 5.121) 6.577 8.940 ( 2.323 1.711 -1.131) 3.099 9.036 ( 0.404 -6.956 -1.503) 7.128 9.146 ( -2.042 1.784 2.103) 3.431 9.227 ( -2.078 -5.481 -0.344) 5.872 9.608 ( 1.143 3.188 -2.681) 4.319 9.638 ( 0.355 0.036 -4.669) 4.682 9.831 ( -3.015 4.595 -0.145) 5.498 9.873 ( -3.460 0.643 -2.067) 4.081 10.207 ( 0.982 5.859 1.832) 6.217 10.230 ( 1.308 4.035 1.123) 4.388 10.357 ( 0.566 0.347 0.487) 0.823 10.407 ( 2.593 -3.586 0.489) 4.452 10.540 ( 1.839 2.101 0.203) 2.800 10.568 ( 2.042 -0.336 -0.248) 2.085 10.730 ( -1.123 5.314 -1.207) 5.564 10.807 ( 0.712 0.279 -0.936) 1.209 10.962 ( -0.400 5.858 -2.092) 6.233 11.057 ( 2.078 13.045 -3.950) 13.787 11.101 ( -3.271 -6.138 -2.437) 7.370 11.256 ( 4.349 -3.470 1.496) 5.762 11.270 ( -5.498 6.407 4.387) 9.514 11.381 ( -2.198 0.018 0.815) 2.344 11.462 ( 0.329 5.750 -2.769) 6.390 11.561 ( -1.285 -2.211 1.079) 2.776 11.617 ( 0.281 -5.125 0.012) 5.133 11.659 ( -1.363 -5.253 -2.081) 5.812 11.769 ( 2.660 1.779 1.263) 3.440 11.794 ( 2.518 0.095 0.091) 2.522 11.848 ( 2.259 2.223 -2.446) 4.003 11.941 ( 1.822 -5.361 -2.869) 6.348 12.179 ( -0.705 2.242 2.170) 3.199 12.279 ( 0.138 -6.397 -3.117) 7.117 12.348 ( -4.112 4.963 5.038) 8.181 12.510 ( -3.054 -7.402 2.542) 8.401 12.666 ( -2.036 4.782 -0.206) 5.202 12.733 ( -1.180 -0.161 -0.950) 1.524 12.957 ( -2.326 -0.794 1.549) 2.906 13.079 ( 1.844 -8.661 1.640) 9.006 13.126 ( -0.119 -2.947 -0.442) 2.982 13.145 ( 0.589 -6.057 -1.442) 6.254 16.511 ( 0.687 3.365 3.179) 4.680 16.554 ( -0.380 -1.336 0.299) 1.421 16.846 ( -0.721 2.370 -3.013) 3.901 16.909 ( 1.911 -4.520 -3.482) 6.017 17.496 ( -4.343 4.965 0.577) 6.622 17.609 ( -3.101 -4.437 0.880) 5.484 17.762 ( 5.850 6.539 -1.617) 8.922 17.869 ( 4.479 -3.290 -1.142) 5.673 18.147 ( -2.985 -0.118 2.372) 3.814 18.156 ( 0.348 -0.241 1.289) 1.357 18.408 ( -8.069 16.583 0.610) 18.452 18.571 ( -2.602 3.965 -1.514) 4.978 18.702 ( -1.486 1.257 11.302) 11.468 18.863 ( -3.647 -10.473 2.503) 11.369 18.984 ( -0.518 7.255 -5.457) 9.093 19.169 ( 1.640 -9.458 -4.824) 10.743 19.373 ( -8.989 9.191 -2.401) 13.078 19.545 ( -5.600 -5.116 -5.393) 9.307 19.821 ( -15.611 -0.313 3.569) 16.017 19.926 ( -16.457 -7.489 3.007) 18.329 20.414 ( 8.354 2.610 -0.408) 8.761 20.419 ( 7.285 1.768 0.076) 7.497 20.628 ( 8.102 1.134 2.424) 8.532 20.687 ( 13.641 -3.419 -3.844) 14.579 20.733 ( 3.182 1.491 -1.073) 3.674 20.796 ( 8.686 -5.554 -1.218) 10.382 20.888 ( 5.515 -0.101 -2.815) 6.193 20.945 ( 11.162 -4.763 -2.219) 12.337 21.571 ( -2.847 8.368 5.970) 10.666 21.692 ( -1.521 -1.328 2.126) 2.932 21.920 ( -3.562 2.134 1.984) 4.602 22.058 ( -3.755 -9.045 -4.306) 10.699 22.781 ( 0.228 12.669 1.227) 12.731 22.860 ( -0.773 9.744 -4.189) 10.635 23.029 ( -1.363 -5.663 2.067) 6.181 23.088 ( -1.180 -6.591 -1.440) 6.849 ======================= Grid point 69 (37/64) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -4.885 13.974 4.995) 15.624 1.637 ( 0.205 8.436 -0.336) 8.445 1.733 ( -2.984 4.598 2.520) 6.033 1.835 ( -4.313 -7.071 2.899) 8.775 1.914 ( -0.949 2.836 -3.825) 4.855 1.954 ( -0.315 6.613 0.714) 6.659 1.995 ( -0.790 -6.124 1.263) 6.302 2.063 ( -3.468 2.980 0.695) 4.625 2.091 ( -3.334 -4.960 -2.841) 6.617 2.141 ( -3.178 -0.291 -2.609) 4.122 2.220 ( -0.856 2.125 -2.697) 3.538 2.283 ( -2.655 -4.251 1.847) 5.342 2.372 ( -1.229 2.024 2.016) 3.110 2.400 ( -2.568 0.101 1.449) 2.951 2.411 ( -3.222 2.710 3.741) 5.632 2.439 ( 0.400 -0.920 -2.818) 2.991 2.520 ( -2.484 0.738 0.917) 2.749 2.585 ( 2.588 2.038 -1.773) 3.741 2.596 ( 3.015 -3.250 3.237) 5.489 2.634 ( -1.548 -3.427 -0.986) 3.887 2.743 ( 2.683 -0.149 -2.601) 3.740 2.777 ( -3.038 9.860 1.007) 10.366 2.800 ( 1.694 -4.229 -1.918) 4.943 2.914 ( 3.245 2.242 -0.046) 3.945 2.957 ( -2.162 -5.096 -0.935) 5.614 3.020 ( -0.357 -4.756 -0.652) 4.813 3.162 ( -1.670 3.279 0.987) 3.810 3.217 ( 0.599 -1.955 -0.312) 2.069 3.356 ( 0.529 9.373 -1.082) 9.450 3.399 ( -3.678 1.609 -2.546) 4.753 3.455 ( -0.675 -0.287 -3.081) 3.167 3.500 ( 2.790 -1.748 -2.137) 3.925 3.604 ( 3.479 4.157 -0.984) 5.509 3.656 ( 2.562 0.791 -3.936) 4.762 3.721 ( -2.326 4.127 6.514) 8.054 3.790 ( -3.899 -2.834 2.000) 5.218 3.952 ( 1.330 6.777 -1.599) 7.089 4.029 ( -3.424 5.010 0.748) 6.114 4.038 ( 2.629 0.768 -3.012) 4.071 4.128 ( -1.928 0.177 -3.090) 3.646 4.166 ( 2.668 -0.276 0.653) 2.761 4.209 ( -3.773 -2.591 1.212) 4.734 4.239 ( 5.452 3.533 4.807) 8.082 4.303 ( -2.366 -2.720 0.681) 3.669 4.418 ( 1.944 5.837 -3.964) 7.319 4.485 ( 1.327 3.554 0.664) 3.852 4.537 ( 2.350 9.214 0.093) 9.510 4.576 ( -0.161 0.690 -0.966) 1.198 4.620 ( -0.980 -2.643 2.390) 3.695 4.698 ( 2.673 -2.269 2.440) 4.272 4.732 ( -1.693 5.764 -2.513) 6.512 4.792 ( -2.897 2.190 -0.056) 3.632 4.906 ( -3.103 4.098 1.773) 5.437 4.956 ( 1.275 4.347 1.276) 4.706 5.015 ( -2.102 -0.503 0.893) 2.339 5.055 ( -1.095 1.715 3.172) 3.769 5.089 ( -0.368 7.561 4.048) 8.584 5.151 ( 0.614 11.006 1.076) 11.076 5.260 ( 2.042 -2.282 0.100) 3.064 5.333 ( 3.077 2.390 -1.171) 4.068 5.441 ( -2.082 2.033 1.193) 3.146 5.666 ( 1.835 -1.962 -2.532) 3.691 5.729 ( -1.794 2.703 1.667) 3.647 5.936 ( -0.588 -2.835 -2.381) 3.749 6.010 ( 3.934 -11.811 -1.842) 12.585 6.073 ( 1.726 -9.550 -1.968) 9.903 6.270 ( 0.083 1.703 1.948) 2.589 6.328 ( 1.282 -3.793 -0.377) 4.022 6.448 ( -0.818 5.742 -0.320) 5.809 6.518 ( 1.555 -0.428 -2.278) 2.792 6.575 ( -0.839 4.939 -2.831) 5.755 6.657 ( 2.731 -2.509 -1.741) 4.097 6.759 ( -4.113 11.412 2.659) 12.419 6.858 ( -1.047 8.595 -1.198) 8.741 6.942 ( -2.820 -3.793 5.578) 7.311 7.120 ( 0.532 -13.647 -2.930) 13.968 7.175 ( 0.734 3.068 -1.342) 3.428 7.258 ( 3.144 -5.568 -1.424) 6.551 7.549 ( -1.011 -1.654 2.932) 3.515 7.577 ( 1.018 -4.548 2.398) 5.242 7.666 ( -1.319 10.231 -1.444) 10.416 7.822 ( 1.001 -3.479 -1.327) 3.856 7.906 ( -0.409 5.409 -0.889) 5.496 8.019 ( -0.720 -3.191 -1.631) 3.655 8.052 ( -1.431 3.062 1.782) 3.821 8.191 ( 1.360 2.538 -1.215) 3.125 8.208 ( 0.419 -8.411 1.186) 8.505 8.304 ( 1.608 -5.203 -1.268) 5.592 8.498 ( -1.832 -0.394 2.354) 3.009 8.622 ( 0.732 -10.207 -0.926) 10.275 8.737 ( -2.005 5.175 -0.468) 5.569 8.834 ( -0.104 -5.047 -3.804) 6.321 8.993 ( 1.150 1.404 2.299) 2.929 9.048 ( 1.006 -4.803 0.156) 4.910 9.130 ( -2.706 -1.723 2.622) 4.143 9.179 ( -2.094 -4.898 -0.910) 5.404 9.638 ( 3.048 2.400 -0.303) 3.891 9.649 ( 3.171 2.402 2.241) 4.566 9.770 ( -3.742 2.974 0.288) 4.789 9.785 ( -4.081 1.607 0.137) 4.388 10.234 ( 0.925 5.214 -0.548) 5.323 10.269 ( 2.107 3.526 -0.198) 4.112 10.321 ( -1.626 1.185 -3.077) 3.677 10.390 ( -1.166 -2.585 -2.646) 3.878 10.608 ( 3.089 2.734 0.726) 4.189 10.639 ( 3.260 -0.548 0.292) 3.319 10.713 ( -0.019 5.606 -0.115) 5.607 10.814 ( 0.727 -0.728 -0.200) 1.048 10.958 ( 1.924 1.524 -0.430) 2.492 11.024 ( -2.078 2.725 -2.238) 4.093 11.046 ( -0.387 12.567 1.425) 12.654 11.232 ( -2.988 6.746 3.042) 7.980 11.321 ( -2.131 0.690 2.653) 3.473 11.391 ( 3.404 -12.068 1.685) 12.651 11.453 ( 0.147 5.598 -0.206) 5.604 11.516 ( -2.444 -1.528 -0.482) 2.922 11.626 ( -0.623 -2.035 1.116) 2.403 11.649 ( 1.101 -2.911 0.462) 3.147 11.825 ( 1.288 1.620 0.556) 2.143 11.855 ( 4.453 1.675 -0.571) 4.792 11.865 ( 2.281 0.070 -0.930) 2.465 11.935 ( 0.410 -4.662 -2.034) 5.103 12.175 ( -1.250 -0.334 0.137) 1.301 12.242 ( -0.769 -1.408 -1.931) 2.510 12.324 ( -2.843 0.702 1.861) 3.469 12.460 ( -3.892 -4.901 0.490) 6.277 12.619 ( -2.437 2.803 -0.049) 3.715 12.692 ( -1.411 -1.911 -1.373) 2.744 12.938 ( -1.561 1.585 1.514) 2.691 13.088 ( -0.245 -9.266 -2.242) 9.536 13.131 ( 0.880 -2.337 1.111) 2.733 13.165 ( 0.984 -6.460 0.313) 6.542 16.543 ( 0.094 3.120 1.098) 3.308 16.579 ( 0.196 -1.169 3.814) 3.994 16.802 ( -0.139 4.858 -3.084) 5.756 16.906 ( 1.938 -6.568 -3.153) 7.539 17.449 ( -1.620 6.932 1.215) 7.221 17.579 ( -1.805 -3.934 1.789) 4.684 17.801 ( 1.053 9.371 -1.839) 9.607 17.928 ( 2.989 -2.551 -0.660) 3.984 18.094 ( -4.189 4.791 -0.438) 6.379 18.181 ( 0.289 -1.154 0.785) 1.426 18.302 ( -3.569 4.929 0.778) 6.135 18.460 ( -6.567 -5.062 -2.423) 8.638 18.786 ( -1.960 1.636 5.614) 6.167 18.820 ( -2.684 -0.973 1.984) 3.477 18.969 ( 4.561 9.129 -1.887) 10.377 19.115 ( -0.997 0.748 -4.516) 4.685 19.242 ( -3.461 11.008 0.202) 11.541 19.378 ( -6.228 -0.303 -1.670) 6.455 19.645 ( -6.962 -12.375 0.716) 14.217 19.683 ( -12.030 -13.049 0.742) 17.763 20.520 ( 3.964 2.211 -0.738) 4.599 20.550 ( 4.780 0.359 -0.274) 4.801 20.708 ( 0.905 2.322 2.025) 3.211 20.758 ( 2.964 -1.270 0.216) 3.232 20.850 ( 7.119 0.900 -0.421) 7.188 20.923 ( 7.311 -5.922 -1.824) 9.584 21.063 ( 13.061 5.656 -2.155) 14.396 21.218 ( 13.802 -9.623 1.423) 16.886 21.561 ( -4.520 8.788 4.597) 10.899 21.644 ( -2.638 3.477 -2.390) 4.976 21.883 ( -4.754 -6.426 4.245) 9.051 21.921 ( -5.278 -7.046 -3.875) 9.618 22.792 ( -0.377 12.695 0.721) 12.721 22.813 ( 0.051 13.389 -2.217) 13.572 23.026 ( -1.443 -7.165 1.722) 7.508 23.057 ( -0.714 -7.712 -0.518) 7.762 ======================= Grid point 70 (38/64) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -4.915 13.166 2.123) 14.213 1.637 ( 0.674 10.379 -4.154) 11.200 1.692 ( -1.295 -9.503 2.655) 9.952 1.738 ( -6.930 4.694 -3.048) 8.908 1.836 ( 2.466 10.066 -7.681) 12.900 1.929 ( -1.489 0.046 -2.275) 2.719 1.987 ( 0.568 -8.586 -1.322) 8.706 2.017 ( -1.676 -2.787 0.725) 3.332 2.103 ( 3.596 -0.818 1.912) 4.154 2.138 ( 1.444 0.801 3.958) 4.289 2.207 ( -0.733 -1.330 -0.497) 1.598 2.238 ( 0.533 -1.900 2.398) 3.106 2.375 ( -1.832 7.187 0.944) 7.477 2.390 ( -1.443 5.020 2.671) 5.866 2.424 ( -0.678 0.078 5.198) 5.242 2.485 ( 4.968 0.174 1.558) 5.209 2.499 ( -0.720 0.411 -0.080) 0.832 2.589 ( -0.949 -6.681 -0.165) 6.750 2.612 ( -0.584 3.418 0.743) 3.546 2.669 ( -1.744 -1.769 1.503) 2.903 2.753 ( 0.749 7.972 0.097) 8.008 2.802 ( 6.860 -1.823 -1.991) 7.373 2.824 ( 3.683 -4.829 -2.227) 6.469 2.874 ( -0.994 -0.412 -4.568) 4.693 2.973 ( 1.811 -0.913 0.822) 2.188 3.022 ( 1.324 -2.051 0.197) 2.450 3.132 ( -3.955 1.066 2.357) 4.725 3.193 ( -3.359 -7.081 0.207) 7.840 3.322 ( 0.066 9.326 0.137) 9.327 3.389 ( 5.743 6.726 -8.482) 12.254 3.435 ( 1.107 0.282 -2.072) 2.366 3.484 ( -0.933 0.980 -1.697) 2.170 3.568 ( -4.545 1.555 -2.570) 5.448 3.654 ( -4.445 -5.449 -4.631) 8.420 3.719 ( 1.342 4.027 2.899) 5.140 3.788 ( 3.425 -2.010 2.883) 4.908 3.945 ( -0.709 7.672 0.544) 7.724 4.004 ( 0.958 3.398 -4.391) 5.635 4.087 ( 2.128 5.864 4.912) 7.940 4.106 ( -0.841 3.015 0.471) 3.165 4.166 ( 0.059 -1.034 -2.929) 3.107 4.224 ( 0.266 -2.770 2.584) 3.798 4.268 ( -0.671 4.312 1.922) 4.769 4.307 ( 0.707 2.372 1.024) 2.678 4.449 ( 1.292 -1.919 -2.584) 3.468 4.489 ( -0.400 -5.476 -0.615) 5.525 4.548 ( -1.180 13.274 0.783) 13.349 4.612 ( 2.775 6.107 3.511) 7.571 4.669 ( 1.978 0.622 1.070) 2.333 4.684 ( -0.689 4.994 -0.506) 5.067 4.715 ( -2.145 -0.102 0.754) 2.276 4.784 ( 2.743 -1.136 -0.256) 2.979 4.872 ( -3.432 3.258 3.462) 5.864 4.997 ( -0.912 3.629 1.914) 4.203 5.007 ( -1.924 -1.359 5.028) 5.553 5.068 ( -0.861 -1.794 2.075) 2.875 5.104 ( -1.236 12.931 3.946) 13.576 5.174 ( 0.123 11.494 1.724) 11.623 5.305 ( 0.538 -4.720 1.129) 4.883 5.375 ( 1.352 4.368 0.896) 4.659 5.450 ( 0.273 -0.878 3.150) 3.282 5.654 ( 0.774 3.760 -2.983) 4.861 5.711 ( -0.836 -0.142 -0.346) 0.916 5.884 ( 0.418 -0.975 -5.215) 5.322 6.026 ( -0.044 -14.287 -2.176) 14.452 6.091 ( 2.008 -10.216 -0.601) 10.428 6.256 ( -2.821 -1.845 -7.470) 8.195 6.279 ( -0.545 -2.908 -0.025) 2.959 6.481 ( 1.465 4.994 2.851) 5.935 6.556 ( 3.619 -0.489 0.481) 3.684 6.585 ( 3.829 7.061 0.529) 8.050 6.661 ( -1.548 5.151 -1.698) 5.640 6.698 ( -2.254 6.321 -0.737) 6.751 6.785 ( -3.225 4.845 -4.372) 7.279 6.928 ( -2.500 -3.022 2.010) 4.407 7.102 ( 0.779 -14.688 -2.408) 14.904 7.221 ( 2.342 2.874 3.350) 4.997 7.312 ( 2.608 -5.721 0.335) 6.296 7.548 ( -1.907 0.497 0.998) 2.209 7.575 ( -2.342 -2.369 -0.413) 3.356 7.661 ( 0.950 8.156 1.239) 8.304 7.814 ( 0.316 -7.676 -2.129) 7.972 7.893 ( 0.628 8.988 -1.597) 9.150 7.973 ( -0.248 -0.855 -4.545) 4.631 8.062 ( -0.469 2.358 3.322) 4.101 8.180 ( -0.180 -3.584 -1.711) 3.975 8.254 ( 0.811 -3.473 3.602) 5.069 8.326 ( 1.659 -5.032 0.231) 5.303 8.473 ( -2.802 1.428 0.677) 3.217 8.594 ( -1.529 -7.089 -3.531) 8.066 8.703 ( 0.073 1.666 -2.085) 2.670 8.777 ( 0.538 -5.651 -6.995) 9.009 9.020 ( -0.416 1.220 1.503) 1.980 9.054 ( 0.328 -0.483 -0.560) 0.809 9.105 ( -2.427 -4.575 1.737) 5.462 9.152 ( 0.420 -5.208 -0.688) 5.270 9.705 ( 0.063 4.508 2.480) 5.146 9.715 ( -0.061 4.287 2.675) 5.054 9.759 ( -0.440 0.657 4.079) 4.155 9.771 ( 3.285 -1.305 4.257) 5.533 10.213 ( -0.836 5.114 -3.339) 6.164 10.253 ( -1.266 1.416 -4.197) 4.607 10.292 ( 1.910 2.915 -2.504) 4.291 10.351 ( 1.078 -1.053 -3.577) 3.881 10.633 ( -1.006 2.255 0.097) 2.471 10.650 ( -0.968 0.330 -1.566) 1.870 10.723 ( 1.073 5.857 0.702) 5.996 10.822 ( 0.645 -1.743 -0.852) 2.044 10.979 ( -1.347 5.365 0.160) 5.534 11.010 ( 2.704 -1.303 0.909) 3.136 11.112 ( 2.115 12.850 6.605) 14.602 11.217 ( -1.793 4.388 1.853) 5.090 11.298 ( -2.236 1.161 0.985) 2.705 11.419 ( -1.617 -2.183 0.528) 2.768 11.506 ( 2.451 -0.309 3.456) 4.248 11.518 ( 1.418 -1.941 3.539) 4.278 11.612 ( -0.869 0.667 -0.516) 1.211 11.686 ( 0.010 -4.551 2.638) 5.260 11.825 ( -0.952 -1.224 -0.373) 1.595 11.866 ( -1.054 -2.240 -2.511) 3.526 11.929 ( 0.225 -0.586 1.093) 1.260 11.936 ( 3.797 -0.142 0.071) 3.800 12.143 ( -0.530 1.396 -2.627) 3.022 12.214 ( -0.787 4.067 -0.126) 4.144 12.297 ( 0.886 -6.405 -3.069) 7.157 12.402 ( -2.496 -4.299 0.262) 4.978 12.592 ( -0.251 2.265 -0.265) 2.294 12.669 ( 0.948 -2.595 -1.405) 3.099 12.937 ( -0.752 2.502 1.857) 3.205 13.058 ( 0.252 -5.920 -2.780) 6.545 13.147 ( -0.385 -3.317 0.602) 3.394 13.175 ( 0.157 -8.194 0.029) 8.196 16.551 ( -1.508 3.711 1.769) 4.379 16.612 ( -1.963 -2.799 4.368) 5.546 16.781 ( 2.259 6.306 -3.372) 7.499 16.911 ( 2.677 -7.863 -3.182) 8.895 17.464 ( -0.285 8.914 3.331) 9.520 17.584 ( -0.266 -0.026 2.720) 2.733 17.813 ( 2.264 6.910 -0.454) 7.286 17.921 ( -2.327 -3.888 -1.417) 4.747 18.052 ( 2.674 6.946 -2.813) 7.957 18.164 ( -2.350 2.476 0.224) 3.420 18.269 ( -1.158 -4.970 -1.326) 5.273 18.331 ( -1.112 -4.889 -5.504) 7.446 18.758 ( -5.426 3.088 1.227) 6.363 18.796 ( 0.027 0.246 0.144) 0.286 19.097 ( 7.364 7.609 2.736) 10.937 19.144 ( 4.315 6.279 3.021) 8.195 19.168 ( -2.961 14.025 0.288) 14.337 19.307 ( -0.626 4.852 -3.149) 5.818 19.550 ( -1.391 -20.897 -0.698) 20.955 19.578 ( -0.776 -18.084 -1.086) 18.133 20.560 ( -0.168 1.828 0.685) 1.959 20.592 ( 1.378 -1.151 -0.321) 1.824 20.741 ( -0.847 3.742 3.512) 5.201 20.803 ( 0.661 -2.047 1.845) 2.834 20.936 ( 0.817 2.298 0.610) 2.514 21.002 ( 2.032 -3.857 -0.361) 4.374 21.192 ( 2.853 4.084 -1.967) 5.356 21.307 ( -2.521 -6.745 -4.325) 8.400 21.524 ( -6.225 8.953 3.366) 11.412 21.623 ( 3.348 4.688 -0.281) 5.768 21.823 ( -5.444 -8.699 1.345) 10.350 21.877 ( 5.259 -8.911 0.138) 10.348 22.787 ( -0.754 13.400 0.072) 13.421 22.817 ( 2.276 14.298 -0.707) 14.495 23.016 ( -1.506 -7.875 1.200) 8.107 23.055 ( 0.705 -8.168 0.219) 8.201 ======================= Grid point 71 (39/64) ======================= q-point: (-0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -0.047 19.264 1.983) 19.366 1.559 ( -5.825 14.495 -2.536) 15.826 1.584 ( -2.763 13.587 -1.934) 14.000 1.732 ( 0.960 -11.533 1.958) 11.738 1.832 ( 2.083 -2.399 -3.196) 4.507 1.915 ( 1.884 -8.677 -0.588) 8.898 1.987 ( 2.773 -0.913 -4.677) 5.513 2.038 ( 5.453 -2.562 -0.462) 6.043 2.183 ( 3.104 0.211 -0.246) 3.121 2.207 ( 3.819 -2.479 0.806) 4.624 2.265 ( 1.806 0.057 5.110) 5.420 2.303 ( 1.071 -1.190 3.910) 4.226 2.375 ( -0.842 3.936 1.704) 4.370 2.406 ( -1.119 6.655 2.300) 7.129 2.443 ( 0.377 -0.340 2.896) 2.940 2.499 ( 0.268 -0.560 0.822) 1.030 2.563 ( 1.004 0.437 -0.065) 1.097 2.600 ( 2.206 1.063 -0.516) 2.503 2.637 ( 1.547 -3.140 2.357) 4.220 2.658 ( 3.557 -0.463 -0.794) 3.674 2.764 ( 0.686 2.432 -2.455) 3.523 2.804 ( 2.207 -1.400 -4.452) 5.162 2.877 ( 2.656 3.186 0.392) 4.167 2.915 ( 3.799 -2.243 -0.043) 4.412 3.005 ( -0.560 2.118 0.989) 2.403 3.068 ( 3.805 0.420 -2.109) 4.370 3.098 ( -1.562 -1.214 1.560) 2.519 3.144 ( -0.651 -6.126 1.539) 6.349 3.305 ( 0.508 7.267 -9.254) 11.777 3.330 ( -3.528 9.092 -3.413) 10.333 3.420 ( -1.665 2.766 0.547) 3.275 3.467 ( 2.083 -0.420 -2.347) 3.166 3.480 ( -5.162 -4.826 -5.401) 8.894 3.560 ( 3.576 -5.184 3.031) 6.989 3.776 ( -3.152 7.410 4.700) 9.324 3.879 ( 0.924 -1.999 3.993) 4.560 3.914 ( 0.857 5.218 -2.662) 5.921 3.975 ( -2.020 0.823 -3.862) 4.435 4.065 ( -2.093 3.391 -4.466) 5.986 4.098 ( -1.307 -0.926 0.368) 1.643 4.176 ( -0.626 6.916 1.508) 7.106 4.230 ( 1.008 4.464 4.055) 6.114 4.329 ( 2.952 6.853 0.024) 7.462 4.364 ( 0.484 -0.290 3.113) 3.163 4.438 ( 0.865 -3.532 0.732) 3.709 4.484 ( 3.063 -0.099 -1.227) 3.301 4.539 ( 0.337 2.310 -0.882) 2.495 4.593 ( -1.973 -1.187 -3.296) 4.021 4.675 ( -0.348 2.526 2.085) 3.294 4.715 ( -0.796 -1.601 1.049) 2.073 4.769 ( 2.827 5.473 -0.002) 6.160 4.796 ( 0.246 3.536 -0.732) 3.620 4.881 ( -0.747 7.399 4.356) 8.619 5.003 ( -0.847 5.385 3.834) 6.665 5.025 ( -1.501 4.910 3.076) 5.985 5.063 ( -2.834 -1.560 3.433) 4.717 5.139 ( -1.221 2.918 3.038) 4.386 5.235 ( 3.033 5.896 5.956) 8.912 5.304 ( -0.878 -4.095 0.208) 4.193 5.377 ( -1.437 -4.039 -1.288) 4.476 5.487 ( 1.177 6.540 1.934) 6.921 5.640 ( 1.923 8.126 -4.680) 9.572 5.707 ( -0.933 -1.781 1.461) 2.486 5.856 ( 2.622 2.260 -3.283) 4.771 5.968 ( -3.294 -5.229 -2.552) 6.687 6.105 ( -0.444 -3.316 -7.113) 7.860 6.135 ( -1.076 -9.286 1.557) 9.477 6.263 ( 0.540 -13.838 -1.836) 13.970 6.507 ( -2.954 11.741 0.411) 12.114 6.559 ( -4.219 10.144 -0.298) 10.991 6.647 ( 3.823 0.779 -0.061) 3.902 6.656 ( -2.273 5.279 -0.913) 5.819 6.694 ( 2.828 2.266 0.319) 3.638 6.716 ( 4.730 -3.095 -0.644) 5.689 6.923 ( -0.929 -1.738 1.779) 2.655 7.095 ( 1.264 -10.894 -1.787) 11.111 7.296 ( 1.067 1.288 2.643) 3.128 7.347 ( 1.739 -2.787 -0.772) 3.375 7.490 ( -2.816 0.557 -1.766) 3.370 7.523 ( -3.408 -1.894 -0.263) 3.907 7.708 ( 1.561 3.920 3.270) 5.338 7.783 ( -1.158 -0.471 -1.535) 1.979 7.897 ( 1.772 0.238 -2.504) 3.077 7.935 ( 2.558 -1.692 -4.297) 5.279 8.091 ( -0.670 1.408 2.445) 2.900 8.165 ( 0.596 -1.674 -0.790) 1.944 8.293 ( -1.264 -1.519 2.505) 3.191 8.367 ( 1.134 -5.077 2.464) 5.756 8.419 ( -3.623 1.165 -0.232) 3.812 8.494 ( -3.953 -5.727 -2.957) 7.561 8.686 ( 0.123 -1.954 -4.418) 4.832 8.717 ( 2.159 -4.221 -3.462) 5.871 9.009 ( -1.563 0.941 0.634) 1.932 9.075 ( 1.693 1.295 0.073) 2.133 9.098 ( -0.482 -4.235 1.680) 4.581 9.175 ( 2.528 -5.334 -0.196) 5.905 9.712 ( -1.303 4.905 2.751) 5.773 9.762 ( 0.453 -0.282 4.389) 4.422 9.834 ( 1.891 2.077 3.431) 4.434 9.876 ( 2.716 -1.454 3.000) 4.300 10.158 ( -0.393 5.646 -2.892) 6.355 10.187 ( -0.501 2.731 -3.764) 4.677 10.276 ( 0.627 3.008 -4.199) 5.203 10.329 ( 1.296 -1.810 -5.336) 5.782 10.592 ( -2.763 1.963 0.804) 3.484 10.607 ( -2.021 0.456 0.192) 2.081 10.770 ( 1.993 5.159 2.070) 5.905 10.817 ( 0.004 1.532 -1.200) 1.946 10.981 ( 1.521 3.185 -0.244) 3.538 11.043 ( 0.346 -2.283 -0.501) 2.363 11.206 ( -1.279 3.879 1.430) 4.328 11.237 ( 2.248 4.515 4.157) 6.537 11.265 ( -2.411 6.793 2.474) 7.621 11.401 ( -0.605 6.613 0.604) 6.668 11.562 ( -1.176 3.144 2.123) 3.972 11.581 ( 0.574 -2.592 2.856) 3.899 11.631 ( 2.295 -3.111 3.042) 4.919 11.688 ( -1.614 -4.813 0.396) 5.092 11.781 ( -2.887 -4.454 -1.268) 5.457 11.805 ( -2.917 -5.315 -0.395) 6.075 11.929 ( -0.731 0.659 -1.139) 1.505 11.975 ( 0.532 -3.382 -0.622) 3.480 12.113 ( 1.517 7.480 -3.226) 8.286 12.228 ( 0.697 6.845 3.001) 7.506 12.290 ( 3.527 -10.588 -5.462) 12.425 12.398 ( 0.603 -6.339 2.288) 6.766 12.604 ( 2.290 3.512 -1.045) 4.321 12.692 ( 2.965 -2.244 -1.303) 3.940 12.948 ( -0.423 1.633 1.729) 2.416 13.037 ( 0.392 -5.020 -2.034) 5.431 13.137 ( -0.870 -3.311 0.335) 3.439 13.179 ( 0.179 -8.120 0.228) 8.125 16.520 ( -3.507 4.935 1.426) 6.220 16.608 ( -2.975 -4.039 3.207) 5.954 16.818 ( 4.756 4.319 -1.906) 6.701 16.927 ( 2.793 -7.308 -3.146) 8.432 17.490 ( -0.742 8.986 3.059) 9.522 17.623 ( 0.373 -0.825 2.548) 2.704 17.844 ( -0.123 2.156 -0.624) 2.248 17.854 ( -1.529 -2.076 -3.354) 4.230 18.094 ( 1.383 5.859 1.531) 6.212 18.176 ( 7.259 9.502 -2.667) 12.251 18.219 ( -2.479 -5.680 1.603) 6.402 18.320 ( 6.953 -4.779 -6.341) 10.554 18.678 ( -4.240 8.304 1.954) 9.526 18.828 ( 1.497 -4.440 1.657) 4.970 19.086 ( -3.151 8.764 1.498) 9.433 19.216 ( 0.011 1.656 -2.630) 3.109 19.278 ( 7.304 7.568 1.467) 10.620 19.414 ( 16.056 5.509 -0.674) 16.988 19.585 ( 3.002 -17.857 -0.079) 18.107 19.617 ( 9.193 -15.344 -0.940) 17.912 20.505 ( -5.679 3.635 -0.495) 6.760 20.571 ( -4.156 -3.064 -0.217) 5.168 20.757 ( -3.666 7.366 3.234) 8.841 20.825 ( -1.071 0.123 1.797) 2.096 20.868 ( -7.014 -0.418 0.241) 7.031 20.945 ( -6.349 -5.046 -1.835) 8.315 21.137 ( -10.041 0.206 -1.828) 10.208 21.184 ( -4.469 -4.208 1.586) 6.340 21.445 ( -2.098 9.231 0.193) 9.468 21.629 ( -4.387 -8.119 -0.339) 9.235 21.819 ( 5.783 7.470 -0.134) 9.448 22.025 ( 7.457 -11.579 1.103) 13.816 22.769 ( -0.743 13.951 -0.498) 13.980 22.875 ( 4.445 12.096 -0.555) 12.899 23.002 ( -1.343 -7.697 1.262) 7.914 23.085 ( 1.910 -7.313 0.453) 7.572 ======================= Grid point 72 (40/64) ======================= q-point: (-0.17 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -1.732 19.889 4.131) 20.387 1.490 ( -0.534 21.389 3.132) 21.623 1.588 ( 1.613 20.449 3.933) 20.887 1.734 ( -2.226 -8.734 2.076) 9.250 1.842 ( 1.304 -13.605 0.593) 13.680 1.977 ( 3.565 -12.656 1.474) 13.231 2.010 ( 3.930 6.347 -3.936) 8.440 2.132 ( 5.199 -4.652 -1.010) 7.049 2.233 ( 2.186 0.921 -4.069) 4.710 2.243 ( 2.932 -0.571 -1.235) 3.232 2.308 ( -3.220 -1.834 0.595) 3.753 2.321 ( -0.165 -2.984 0.090) 2.990 2.412 ( 2.452 4.907 3.892) 6.726 2.434 ( 1.209 1.783 2.251) 3.116 2.486 ( 0.415 0.730 1.869) 2.049 2.516 ( -0.890 -1.423 1.750) 2.425 2.575 ( 1.215 2.693 0.738) 3.045 2.634 ( 3.573 1.005 -2.725) 4.604 2.679 ( 1.813 -0.978 -3.262) 3.858 2.704 ( 0.845 -6.026 -0.041) 6.086 2.762 ( 2.695 3.561 -1.848) 4.833 2.848 ( 2.896 -1.673 1.056) 3.507 2.903 ( -0.982 2.373 -2.962) 3.920 2.955 ( 1.099 1.600 2.278) 2.993 2.962 ( -2.145 4.661 -0.720) 5.181 3.075 ( -0.645 4.976 -0.790) 5.079 3.087 ( 1.127 -3.466 -5.231) 6.375 3.151 ( -2.404 2.830 -2.599) 4.532 3.240 ( -0.433 -8.279 5.260) 9.818 3.302 ( 7.039 10.029 -2.484) 12.502 3.330 ( -3.561 -6.229 -2.413) 7.570 3.451 ( 3.652 -1.785 -0.988) 4.184 3.522 ( 3.746 5.020 -0.764) 6.310 3.635 ( 1.445 -3.259 0.193) 3.570 3.738 ( -5.988 3.962 4.246) 8.342 3.827 ( -4.903 -2.278 3.653) 6.525 3.886 ( -3.145 5.629 -2.140) 6.794 3.938 ( -2.101 0.415 2.371) 3.195 4.047 ( 3.854 1.712 -2.345) 4.825 4.094 ( -0.355 -2.650 1.651) 3.143 4.180 ( 0.351 5.207 -0.930) 5.301 4.241 ( -2.603 3.375 0.983) 4.374 4.358 ( 0.051 7.944 -0.201) 7.946 4.393 ( 1.823 3.599 -2.511) 4.752 4.411 ( 1.415 -1.490 -4.381) 4.839 4.524 ( -0.414 -1.308 -1.155) 1.793 4.558 ( 1.097 0.820 -0.869) 1.622 4.605 ( 2.868 -1.043 3.503) 4.646 4.662 ( -1.966 1.024 -0.260) 2.231 4.693 ( 0.335 0.900 -1.688) 1.942 4.798 ( 0.752 7.255 0.180) 7.297 4.816 ( 3.056 7.022 0.634) 7.684 4.897 ( -2.219 9.005 1.752) 9.439 5.006 ( -2.178 0.392 -0.279) 2.231 5.031 ( -3.672 2.159 3.681) 5.630 5.069 ( 0.430 5.134 3.816) 6.412 5.130 ( -2.567 2.097 1.741) 3.744 5.275 ( -0.486 -10.312 -2.746) 10.683 5.317 ( -0.291 -0.334 -2.741) 2.777 5.349 ( 0.661 -3.107 1.165) 3.383 5.544 ( 1.103 11.187 2.151) 11.445 5.612 ( 0.706 10.286 -4.586) 11.285 5.695 ( 0.435 0.892 1.832) 2.083 5.862 ( -1.127 -0.822 -1.379) 1.962 5.927 ( 2.562 -0.212 0.629) 2.646 6.025 ( -1.633 -1.226 -3.182) 3.781 6.146 ( -0.833 -10.368 2.507) 10.699 6.269 ( 1.733 -13.436 -2.396) 13.757 6.438 ( -2.729 12.119 1.490) 12.512 6.504 ( -1.338 1.592 -0.599) 2.164 6.576 ( -2.183 8.525 -1.182) 8.879 6.742 ( 3.316 -1.831 0.421) 3.811 6.778 ( 2.265 -4.837 -0.821) 5.404 6.789 ( 3.722 0.696 3.634) 5.248 6.909 ( -1.752 4.076 -0.456) 4.460 7.110 ( 0.935 -6.432 0.597) 6.527 7.280 ( -0.783 5.024 -3.906) 6.412 7.364 ( 0.944 -2.175 -1.662) 2.896 7.453 ( -1.716 -2.810 1.066) 3.461 7.469 ( -1.610 -4.204 1.959) 4.910 7.741 ( -0.662 4.792 -0.464) 4.860 7.806 ( 3.491 -0.708 3.631) 5.086 7.880 ( -0.677 -0.124 -2.194) 2.299 7.965 ( 3.573 -5.989 -2.043) 7.266 8.089 ( -1.458 2.361 1.613) 3.210 8.181 ( 1.509 -3.599 -0.656) 3.957 8.238 ( -2.902 2.915 -3.727) 5.550 8.333 ( -3.268 -3.938 -2.406) 5.655 8.419 ( -0.241 -4.376 5.688) 7.181 8.466 ( -1.236 -6.788 4.911) 8.469 8.652 ( 1.012 2.041 -0.758) 2.401 8.756 ( 3.339 -7.119 -0.774) 7.901 8.981 ( -1.989 3.576 -0.073) 4.093 9.086 ( -0.776 -6.105 0.446) 6.171 9.125 ( 1.252 3.428 0.942) 3.769 9.224 ( 2.371 -5.698 0.201) 6.175 9.707 ( -1.163 5.664 -0.670) 5.821 9.790 ( -1.375 -2.928 -0.312) 3.250 9.883 ( 1.665 2.359 -0.420) 2.918 9.922 ( 1.313 -1.448 -0.213) 1.966 10.152 ( 0.976 5.003 0.520) 5.124 10.168 ( 0.227 3.154 0.210) 3.169 10.242 ( 0.646 3.241 -1.603) 3.673 10.287 ( -0.253 -1.443 -1.812) 2.330 10.572 ( -0.669 2.361 0.548) 2.514 10.593 ( -0.430 -0.121 0.187) 0.485 10.793 ( -1.123 5.615 -0.595) 5.757 10.830 ( 2.190 2.778 0.950) 3.662 10.982 ( -0.420 2.919 -3.743) 4.765 11.058 ( 2.702 -2.338 1.549) 3.894 11.163 ( -1.926 3.946 -3.837) 5.831 11.218 ( -1.578 -0.367 0.403) 1.670 11.342 ( -0.274 9.674 5.627) 11.195 11.406 ( -1.047 8.104 1.856) 8.380 11.546 ( -1.199 3.095 0.387) 3.341 11.582 ( -1.888 -2.828 -1.279) 3.633 11.649 ( -2.016 -6.132 -0.849) 6.510 11.688 ( 1.312 -2.551 0.095) 2.870 11.738 ( -0.763 -3.515 1.063) 3.751 11.764 ( -1.349 -5.785 0.453) 5.958 11.881 ( -0.651 1.426 -4.042) 4.335 11.959 ( 0.085 -5.947 -2.133) 6.319 12.126 ( 1.333 8.376 0.412) 8.491 12.286 ( 0.971 -0.487 1.572) 1.911 12.305 ( 2.927 -3.446 -0.397) 4.539 12.455 ( 0.832 -8.481 4.137) 9.473 12.643 ( 3.618 5.854 -1.840) 7.123 12.731 ( 2.326 -0.599 -0.910) 2.568 12.963 ( 0.358 -1.853 1.542) 2.437 13.019 ( -0.884 -6.571 -0.413) 6.643 13.135 ( 0.044 -2.159 0.292) 2.179 13.182 ( -0.005 -7.011 -0.263) 7.016 16.480 ( -2.429 6.195 1.590) 6.841 16.588 ( -2.474 -4.612 2.018) 5.609 16.876 ( 3.604 0.464 -2.310) 4.306 16.932 ( 1.869 -5.522 -3.578) 6.840 17.523 ( 1.587 8.054 2.242) 8.510 17.633 ( -2.148 1.049 1.655) 2.907 17.776 ( -1.350 -3.504 -2.263) 4.385 17.805 ( -2.352 -1.690 -2.680) 3.946 18.121 ( -0.664 4.325 2.686) 5.134 18.181 ( -1.667 -1.857 1.652) 2.992 18.399 ( 12.570 5.516 -1.473) 13.806 18.420 ( 8.164 2.635 0.591) 8.599 18.650 ( -2.247 9.012 2.422) 9.599 18.869 ( 0.708 -7.504 1.818) 7.754 19.065 ( -0.662 6.348 0.012) 6.383 19.208 ( 2.321 -6.950 -2.706) 7.812 19.410 ( 6.587 5.303 -0.391) 8.465 19.561 ( 7.604 -8.947 -8.037) 14.228 19.823 ( 16.589 -1.376 5.918) 17.666 19.852 ( 16.709 -3.894 0.382) 17.161 20.383 ( -5.878 3.162 -0.643) 6.705 20.453 ( -8.118 -3.485 0.291) 8.840 20.602 ( -14.165 9.956 0.172) 17.315 20.745 ( -5.973 -2.058 0.034) 6.318 20.752 ( -8.161 0.239 -2.014) 8.409 20.803 ( -10.470 -6.386 -0.009) 12.264 20.969 ( -4.188 1.186 -1.587) 4.633 21.045 ( -8.487 -7.070 -1.107) 11.102 21.464 ( 1.293 7.808 2.909) 8.432 21.600 ( 0.780 -5.505 2.117) 5.949 21.918 ( 4.050 9.232 -0.128) 10.082 22.128 ( 3.632 -11.370 -0.850) 11.966 22.757 ( -0.100 13.928 -0.121) 13.929 22.927 ( 2.918 4.593 -3.235) 6.331 23.010 ( -0.070 -3.003 2.527) 3.926 23.119 ( 1.433 -5.953 -0.361) 6.133 ======================= Grid point 91 (41/64) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -4.795 0.000 18.512) 19.123 0.861 ( 3.973 0.000 20.685) 21.063 1.024 ( 3.851 0.000 -10.033) 10.746 1.275 ( -2.823 0.000 -18.765) 18.976 1.587 ( 8.865 0.000 33.950) 35.088 1.635 ( -2.572 0.000 14.314) 14.543 1.734 ( -2.425 0.000 5.141) 5.685 2.000 ( 1.849 0.000 6.615) 6.869 2.073 ( -2.248 0.000 -7.365) 7.701 2.091 ( 1.776 0.000 -7.657) 7.861 2.147 ( -0.077 0.000 -13.643) 13.643 2.171 ( -1.868 0.000 1.742) 2.554 2.220 ( 3.503 0.000 0.183) 3.507 2.308 ( -4.840 0.000 -10.676) 11.722 2.459 ( 0.375 0.000 3.134) 3.157 2.492 ( -2.608 0.000 3.643) 4.481 2.505 ( -2.608 0.000 -2.160) 3.387 2.569 ( 1.981 0.000 -4.636) 5.042 2.685 ( 9.316 0.000 4.446) 10.323 2.770 ( -10.100 0.000 -3.968) 10.852 2.831 ( -1.087 0.000 2.562) 2.783 2.845 ( 0.280 0.000 -0.700) 0.754 2.921 ( -1.762 0.000 5.483) 5.759 2.945 ( 9.185 0.000 0.027) 9.185 2.994 ( -2.945 0.000 -4.200) 5.130 3.035 ( -0.953 0.000 -3.104) 3.247 3.083 ( -2.097 0.000 -0.316) 2.121 3.107 ( 3.095 0.000 -4.887) 5.785 3.173 ( 4.471 0.000 1.868) 4.846 3.180 ( -3.093 0.000 0.439) 3.124 3.280 ( 6.374 0.000 1.101) 6.469 3.345 ( -4.436 0.000 -2.663) 5.174 3.390 ( 0.295 0.000 -2.849) 2.864 3.417 ( -4.418 0.000 -1.737) 4.747 3.520 ( -0.554 0.000 1.671) 1.760 3.578 ( -1.331 0.000 -3.490) 3.736 3.592 ( -6.094 0.000 5.812) 8.421 3.687 ( -2.333 0.000 4.584) 5.144 3.749 ( -0.177 0.000 -2.780) 2.786 3.774 ( 10.242 0.000 -0.261) 10.246 3.809 ( 1.528 0.000 -5.889) 6.084 3.882 ( -5.517 0.000 -8.175) 9.863 4.105 ( -0.933 0.000 5.262) 5.344 4.121 ( 1.611 0.000 2.909) 3.325 4.205 ( -1.944 0.000 4.571) 4.967 4.243 ( 0.237 0.000 1.593) 1.610 4.367 ( 7.846 0.000 3.341) 8.528 4.372 ( 0.088 0.000 3.919) 3.920 4.467 ( 4.849 0.000 -0.898) 4.932 4.510 ( -5.766 0.000 -2.717) 6.374 4.652 ( 3.355 0.000 0.446) 3.384 4.662 ( -5.726 0.000 -3.842) 6.895 4.749 ( -1.371 0.000 3.812) 4.051 4.786 ( 3.635 0.000 -2.949) 4.681 4.827 ( 0.277 0.000 0.802) 0.849 4.921 ( 1.005 0.000 -3.464) 3.607 4.999 ( -4.531 0.000 -3.556) 5.760 5.050 ( 1.838 0.000 -4.219) 4.602 5.256 ( 2.740 0.000 1.834) 3.297 5.294 ( -1.886 0.000 -2.515) 3.144 5.664 ( 0.853 0.000 4.428) 4.509 5.678 ( 0.555 0.000 2.132) 2.203 5.750 ( -5.537 0.000 5.779) 8.003 5.850 ( 2.709 0.000 -3.649) 4.544 5.887 ( -0.645 0.000 3.840) 3.894 5.942 ( 0.748 0.000 -3.013) 3.104 6.246 ( -3.136 0.000 2.519) 4.023 6.281 ( 3.373 0.000 -0.833) 3.474 6.409 ( -0.127 0.000 1.157) 1.164 6.441 ( 1.573 0.000 -1.757) 2.359 6.725 ( 6.004 0.000 2.304) 6.431 6.771 ( -5.761 0.000 -0.764) 5.812 6.791 ( -3.881 0.000 3.466) 5.203 6.904 ( 4.749 0.000 -6.519) 8.066 6.978 ( -1.253 0.000 2.840) 3.104 7.049 ( 0.361 0.000 -4.356) 4.371 7.166 ( -4.414 0.000 10.895) 11.755 7.363 ( 2.541 0.000 -9.549) 9.881 7.646 ( 0.171 0.000 3.265) 3.270 7.687 ( 1.201 0.000 -0.371) 1.257 7.815 ( 3.746 0.000 1.473) 4.025 7.834 ( -2.746 0.000 -1.132) 2.970 8.145 ( 2.709 0.000 2.588) 3.746 8.191 ( -5.663 0.000 -2.394) 6.148 8.245 ( 1.069 0.000 -2.675) 2.880 8.261 ( -2.775 0.000 -4.394) 5.197 8.639 ( 3.289 0.000 1.663) 3.686 8.655 ( 0.043 0.000 -0.273) 0.276 8.704 ( 3.434 0.000 0.790) 3.524 8.731 ( -6.719 0.000 -2.589) 7.200 8.858 ( 3.145 0.000 4.976) 5.887 8.943 ( -0.479 0.000 -3.406) 3.439 9.106 ( -2.797 0.000 4.765) 5.526 9.183 ( 2.969 0.000 -3.625) 4.686 9.408 ( 3.007 0.000 1.524) 3.371 9.427 ( -0.869 0.000 -0.647) 1.083 9.607 ( 4.776 0.000 0.555) 4.808 9.613 ( -7.987 0.000 -0.139) 7.988 9.685 ( 4.069 0.000 1.321) 4.278 9.731 ( -4.009 0.000 -3.644) 5.418 9.965 ( -0.045 0.000 1.636) 1.637 9.990 ( 0.206 0.000 -1.367) 1.383 10.233 ( -2.069 0.000 0.984) 2.291 10.244 ( 2.545 0.000 0.021) 2.545 10.326 ( 4.938 0.000 3.585) 6.102 10.401 ( -4.951 0.000 -4.333) 6.580 10.525 ( 0.457 0.000 1.835) 1.891 10.539 ( -1.402 0.000 1.587) 2.118 10.595 ( 8.217 0.000 3.387) 8.888 10.669 ( -7.234 0.000 -4.747) 8.653 10.810 ( -0.132 0.000 3.963) 3.965 10.901 ( -0.273 0.000 -3.829) 3.839 11.122 ( 3.145 0.000 0.193) 3.151 11.155 ( -2.033 0.000 -2.622) 3.318 11.458 ( -4.084 0.000 3.616) 5.455 11.528 ( 1.572 0.000 -4.050) 4.345 11.656 ( -1.324 0.000 0.506) 1.417 11.658 ( 0.791 0.000 0.220) 0.821 11.874 ( -1.839 0.000 1.397) 2.310 11.908 ( 3.747 0.000 -2.234) 4.362 12.014 ( 1.196 0.000 0.502) 1.297 12.017 ( -1.826 0.000 0.081) 1.828 12.238 ( -0.177 0.000 5.181) 5.184 12.320 ( 2.599 0.000 -3.779) 4.586 12.565 ( -0.568 0.000 2.688) 2.748 12.607 ( 0.897 0.000 -1.796) 2.008 12.871 ( -1.368 0.000 0.500) 1.457 12.881 ( 1.996 0.000 -0.529) 2.065 13.160 ( -2.126 0.000 0.484) 2.180 13.165 ( 2.440 0.000 0.038) 2.440 13.914 ( 1.187 0.000 5.407) 5.535 14.026 ( -5.166 0.000 -6.516) 8.315 16.008 ( -0.898 0.000 -1.130) 1.444 16.010 ( 0.434 0.000 -1.253) 1.327 16.638 ( 0.630 0.000 2.773) 2.844 16.661 ( 0.143 0.000 0.469) 0.490 17.394 ( 0.396 0.000 4.996) 5.011 17.486 ( -3.302 0.000 -4.829) 5.849 17.779 ( 0.203 0.000 -2.082) 2.092 17.796 ( -0.115 0.000 -3.374) 3.376 18.062 ( 2.346 0.000 5.334) 5.827 18.078 ( -1.264 0.000 5.167) 5.319 18.349 ( 12.891 0.000 1.001) 12.930 18.411 ( -6.669 0.000 -2.649) 7.176 18.641 ( 0.366 0.000 1.638) 1.679 18.722 ( -3.133 0.000 -7.743) 8.353 18.913 ( 4.434 0.000 5.022) 6.700 19.012 ( -4.394 0.000 -6.395) 7.759 19.667 ( 0.304 0.000 4.713) 4.722 19.757 ( 4.281 0.000 -5.150) 6.697 20.122 ( 15.954 0.000 4.628) 16.612 20.200 ( -11.149 0.000 -3.933) 11.822 20.451 ( 10.673 0.000 3.195) 11.141 20.510 ( -19.654 0.000 -3.226) 19.917 20.703 ( 4.928 0.000 4.546) 6.705 20.759 ( -1.790 0.000 -2.099) 2.758 20.856 ( 5.900 0.000 0.577) 5.928 20.887 ( -9.732 0.000 -2.136) 9.963 21.193 ( -0.033 0.000 0.579) 0.580 21.197 ( 0.185 0.000 -0.089) 0.205 21.253 ( 1.632 0.000 8.120) 8.282 21.387 ( -1.380 0.000 -6.160) 6.312 21.707 ( -0.064 0.000 0.246) 0.254 21.728 ( -0.531 0.000 -2.196) 2.260 22.245 ( 2.725 0.000 9.638) 10.015 22.409 ( -1.835 0.000 -8.193) 8.396 23.224 ( -0.387 0.000 0.455) 0.597 23.233 ( 0.454 0.000 -0.532) 0.699 ======================= Grid point 92 (42/64) ======================= q-point: ( 0.17 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 6.182 0.000 14.882) 16.115 0.958 ( 9.125 0.000 -16.121) 18.524 1.045 ( 3.983 0.000 -19.311) 19.718 1.266 ( 10.664 0.000 18.344) 21.218 1.624 ( -4.359 0.000 -11.518) 12.315 1.696 ( -4.824 0.000 6.325) 7.955 1.817 ( 1.457 0.000 -22.938) 22.984 1.936 ( -10.470 0.000 -6.069) 12.102 1.965 ( -5.609 0.000 5.381) 7.773 2.066 ( -1.633 0.000 3.054) 3.463 2.106 ( 4.787 0.000 9.004) 10.197 2.146 ( -3.138 0.000 0.817) 3.242 2.184 ( -1.975 0.000 2.663) 3.315 2.286 ( 0.868 0.000 3.354) 3.465 2.450 ( -5.376 0.000 -2.763) 6.045 2.477 ( -7.533 0.000 -3.197) 8.184 2.489 ( -1.147 0.000 1.623) 1.987 2.577 ( 4.972 0.000 7.313) 8.843 2.658 ( 6.765 0.000 0.632) 6.795 2.690 ( -11.318 0.000 -1.195) 11.381 2.763 ( -6.833 0.000 -0.883) 6.890 2.850 ( 1.407 0.000 0.105) 1.411 2.960 ( 5.071 0.000 -0.865) 5.145 2.972 ( -3.478 0.000 -2.758) 4.439 2.983 ( -6.800 0.000 0.527) 6.820 3.037 ( -3.023 0.000 -3.610) 4.709 3.037 ( 2.900 0.000 8.420) 8.905 3.095 ( 2.083 0.000 -2.011) 2.895 3.140 ( 0.610 0.000 -5.199) 5.235 3.220 ( 1.848 0.000 3.688) 4.125 3.231 ( 1.133 0.000 -0.080) 1.136 3.283 ( -5.233 0.000 0.011) 5.233 3.445 ( -1.065 0.000 0.047) 1.066 3.486 ( 7.665 0.000 5.631) 9.511 3.521 ( -4.499 0.000 -3.691) 5.819 3.581 ( -2.420 0.000 4.433) 5.051 3.593 ( 4.704 0.000 5.851) 7.507 3.721 ( 4.084 0.000 -3.668) 5.490 3.740 ( -1.247 0.000 5.892) 6.023 3.742 ( -1.156 0.000 -3.086) 3.295 3.786 ( 2.810 0.000 -4.834) 5.591 3.948 ( 5.053 0.000 3.312) 6.042 4.094 ( -10.727 0.000 -3.414) 11.257 4.151 ( -2.098 0.000 1.921) 2.844 4.173 ( 3.486 0.000 -2.062) 4.050 4.204 ( -2.896 0.000 1.884) 3.455 4.259 ( -6.371 0.000 -6.178) 8.874 4.348 ( -2.044 0.000 -0.098) 2.046 4.459 ( 1.237 0.000 -1.476) 1.925 4.570 ( 0.936 0.000 -0.706) 1.172 4.605 ( -1.136 0.000 -0.792) 1.385 4.699 ( 1.116 0.000 3.746) 3.909 4.777 ( 2.699 0.000 3.902) 4.744 4.800 ( -0.353 0.000 -7.740) 7.748 4.867 ( -1.199 0.000 4.875) 5.020 4.923 ( 8.653 0.000 -0.668) 8.679 4.974 ( -1.857 0.000 4.517) 4.884 5.048 ( 1.307 0.000 -1.481) 1.975 5.224 ( -1.815 0.000 -1.906) 2.632 5.317 ( 2.450 0.000 1.330) 2.788 5.657 ( -2.879 0.000 -1.731) 3.360 5.688 ( 1.488 0.000 -2.173) 2.633 5.818 ( 1.716 0.000 8.645) 8.814 5.917 ( 7.376 0.000 -5.463) 9.179 5.932 ( 2.057 0.000 1.324) 2.446 5.950 ( 3.670 0.000 -3.349) 4.969 6.229 ( -0.721 0.000 2.417) 2.522 6.347 ( 5.432 0.000 -1.854) 5.740 6.399 ( -1.537 0.000 -0.638) 1.664 6.434 ( 0.696 0.000 -2.680) 2.769 6.663 ( -2.454 0.000 -3.068) 3.929 6.772 ( -4.603 0.000 6.299) 7.802 6.856 ( 3.870 0.000 2.680) 4.707 6.902 ( 4.124 0.000 -6.738) 7.900 6.974 ( -3.853 0.000 4.373) 5.828 6.977 ( -3.770 0.000 -1.451) 4.039 7.216 ( -4.863 0.000 11.579) 12.558 7.305 ( 2.907 0.000 -8.870) 9.335 7.660 ( -1.223 0.000 0.697) 1.408 7.669 ( -0.321 0.000 -4.073) 4.085 7.742 ( -4.725 0.000 -1.966) 5.117 7.833 ( -2.118 0.000 -1.541) 2.619 8.093 ( -4.169 0.000 0.550) 4.205 8.214 ( -0.427 0.000 2.519) 2.555 8.252 ( 3.565 0.000 5.314) 6.399 8.296 ( 4.073 0.000 2.273) 4.664 8.574 ( -5.924 0.000 -3.224) 6.745 8.637 ( -2.692 0.000 1.400) 3.034 8.652 ( -0.507 0.000 -1.510) 1.593 8.811 ( 3.742 0.000 3.020) 4.809 8.873 ( -0.385 0.000 -6.825) 6.836 8.945 ( 1.667 0.000 1.510) 2.249 9.070 ( -5.904 0.000 2.007) 6.236 9.152 ( -1.563 0.000 -3.325) 3.674 9.356 ( -3.257 0.000 -2.973) 4.410 9.394 ( -5.307 0.000 3.341) 6.270 9.475 ( -5.303 0.000 -0.459) 5.323 9.580 ( -5.686 0.000 0.967) 5.768 9.733 ( 3.463 0.000 0.708) 3.535 9.806 ( 5.316 0.000 1.101) 5.428 9.987 ( 0.604 0.000 1.329) 1.460 10.002 ( 2.337 0.000 -1.685) 2.881 10.196 ( -4.017 0.000 -0.803) 4.097 10.278 ( -1.694 0.000 -1.864) 2.518 10.279 ( 2.310 0.000 -1.823) 2.943 10.442 ( 1.781 0.000 3.799) 4.195 10.502 ( -4.429 0.000 -3.997) 5.966 10.559 ( 3.159 0.000 -0.008) 3.159 10.594 ( 4.373 0.000 0.624) 4.417 10.762 ( 4.417 0.000 2.256) 4.960 10.834 ( -0.905 0.000 -4.516) 4.606 10.879 ( 2.255 0.000 4.993) 5.479 11.076 ( -2.532 0.000 -3.758) 4.531 11.167 ( 0.547 0.000 2.160) 2.228 11.445 ( -3.457 0.000 5.462) 6.465 11.522 ( 1.250 0.000 -0.401) 1.313 11.641 ( -1.012 0.000 0.548) 1.151 11.682 ( 1.372 0.000 -0.015) 1.372 11.881 ( 1.046 0.000 0.356) 1.105 11.953 ( 1.798 0.000 -1.975) 2.671 11.998 ( 2.335 0.000 -0.862) 2.489 12.024 ( -1.377 0.000 -0.163) 1.387 12.233 ( -4.841 0.000 2.219) 5.325 12.271 ( -0.389 0.000 -7.236) 7.246 12.571 ( -1.746 0.000 2.147) 2.767 12.592 ( 0.582 0.000 -2.956) 3.013 12.824 ( -3.144 0.000 -1.003) 3.300 12.863 ( -2.903 0.000 0.742) 2.997 13.121 ( -2.053 0.000 0.241) 2.068 13.196 ( 1.294 0.000 -1.217) 1.776 13.873 ( -5.646 0.000 -1.098) 5.752 13.962 ( -4.570 0.000 5.777) 7.366 15.989 ( -0.859 0.000 1.096) 1.392 16.010 ( 0.173 0.000 0.482) 0.512 16.655 ( 0.140 0.000 -2.026) 2.031 16.668 ( 0.731 0.000 -0.382) 0.825 17.455 ( 4.406 0.000 -0.709) 4.463 17.536 ( 6.336 0.000 6.694) 9.217 17.769 ( -0.501 0.000 -0.209) 0.543 17.787 ( 0.810 0.000 1.918) 2.082 18.082 ( 1.418 0.000 -4.490) 4.709 18.108 ( -11.348 0.000 -1.167) 11.408 18.180 ( 2.946 0.000 -8.553) 9.047 18.494 ( 3.054 0.000 0.698) 3.133 18.616 ( -3.221 0.000 -1.012) 3.376 18.673 ( -2.496 0.000 7.016) 7.447 18.863 ( -2.948 0.000 -2.785) 4.056 18.952 ( -7.100 0.000 1.606) 7.280 19.544 ( -16.647 0.000 -3.982) 17.116 19.596 ( -13.088 0.000 1.031) 13.128 20.072 ( 3.827 0.000 -2.971) 4.845 20.269 ( -1.851 0.000 -1.315) 2.271 20.461 ( 17.149 0.000 -1.299) 17.198 20.634 ( 5.005 0.000 6.773) 8.422 20.720 ( 2.332 0.000 -2.685) 3.557 20.778 ( 1.848 0.000 1.753) 2.547 20.869 ( 3.437 0.000 -0.441) 3.465 21.143 ( 8.427 0.000 0.616) 8.450 21.194 ( 0.140 0.000 0.241) 0.279 21.198 ( 0.176 0.000 -0.371) 0.411 21.281 ( -1.190 0.000 -8.810) 8.890 21.414 ( 8.429 0.000 9.343) 12.583 21.683 ( -3.356 0.000 0.119) 3.358 21.729 ( 2.868 0.000 3.718) 4.696 22.268 ( -2.156 0.000 -8.973) 9.228 22.392 ( 2.437 0.000 7.280) 7.677 23.221 ( -0.422 0.000 0.425) 0.599 23.234 ( 0.306 0.000 -0.503) 0.589 ======================= Grid point 93 (43/64) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 14.814 0.000 -15.552) 21.478 1.001 ( 10.897 0.000 -12.677) 16.717 1.228 ( 11.209 0.000 5.122) 12.324 1.443 ( -5.048 0.000 -13.095) 14.034 1.513 ( 11.538 0.000 -8.966) 14.612 1.577 ( -10.806 0.000 2.730) 11.145 1.700 ( -4.958 0.000 -4.800) 6.901 1.804 ( 10.460 0.000 9.654) 14.234 1.965 ( -4.917 0.000 7.826) 9.243 2.019 ( -14.164 0.000 0.521) 14.174 2.032 ( -4.353 0.000 6.479) 7.806 2.044 ( -1.251 0.000 -2.165) 2.501 2.234 ( 0.402 0.000 -8.270) 8.279 2.300 ( 1.344 0.000 4.768) 4.954 2.361 ( -0.816 0.000 3.652) 3.742 2.388 ( -12.793 0.000 -5.186) 13.804 2.458 ( -0.362 0.000 -0.888) 0.959 2.490 ( -2.281 0.000 2.662) 3.505 2.657 ( -4.607 0.000 1.382) 4.810 2.731 ( -2.910 0.000 -1.230) 3.159 2.779 ( 2.668 0.000 2.638) 3.752 2.798 ( -4.334 0.000 -2.067) 4.801 2.805 ( -8.101 0.000 -8.213) 11.536 2.852 ( -4.835 0.000 -2.301) 5.354 2.964 ( 3.828 0.000 0.416) 3.850 3.049 ( 1.742 0.000 2.376) 2.946 3.058 ( 0.943 0.000 -2.095) 2.298 3.070 ( -9.199 0.000 -0.790) 9.233 3.188 ( 4.141 0.000 -1.150) 4.298 3.275 ( -1.163 0.000 1.551) 1.938 3.313 ( 0.455 0.000 -3.677) 3.706 3.333 ( 1.377 0.000 8.958) 9.064 3.363 ( 4.513 0.000 3.480) 5.699 3.373 ( -3.277 0.000 -1.220) 3.497 3.562 ( -0.276 0.000 -1.361) 1.389 3.666 ( 3.317 0.000 2.671) 4.258 3.678 ( 2.634 0.000 -2.393) 3.559 3.703 ( -2.172 0.000 0.195) 2.181 3.756 ( -3.318 0.000 3.195) 4.606 3.787 ( -2.258 0.000 0.894) 2.429 3.853 ( -2.246 0.000 -1.097) 2.499 3.857 ( 7.131 0.000 0.560) 7.153 4.011 ( -0.081 0.000 0.300) 0.310 4.079 ( -4.682 0.000 -2.997) 5.560 4.140 ( -4.212 0.000 3.732) 5.628 4.215 ( 2.317 0.000 -1.334) 2.674 4.242 ( 2.418 0.000 2.761) 3.670 4.391 ( 2.686 0.000 3.326) 4.275 4.460 ( 0.102 0.000 -0.327) 0.343 4.568 ( 0.889 0.000 -0.137) 0.899 4.619 ( -1.404 0.000 -3.569) 3.835 4.658 ( 5.685 0.000 5.828) 8.142 4.833 ( -2.659 0.000 2.949) 3.971 4.893 ( 5.833 0.000 3.221) 6.663 4.930 ( -4.949 0.000 2.548) 5.567 4.945 ( 2.641 0.000 6.255) 6.789 5.046 ( -0.190 0.000 0.427) 0.467 5.080 ( 5.929 0.000 1.826) 6.204 5.240 ( 4.876 0.000 -0.598) 4.912 5.367 ( 1.030 0.000 0.686) 1.238 5.561 ( -3.936 0.000 -3.828) 5.491 5.665 ( 0.350 0.000 -6.072) 6.083 5.872 ( -4.088 0.000 3.522) 5.396 5.919 ( 0.988 0.000 -6.258) 6.335 5.961 ( 4.481 0.000 -8.564) 9.665 5.981 ( 1.949 0.000 -1.344) 2.367 6.313 ( 4.499 0.000 4.296) 6.220 6.352 ( -2.353 0.000 0.159) 2.358 6.421 ( 1.437 0.000 -2.312) 2.722 6.428 ( 5.616 0.000 -2.286) 6.064 6.639 ( 2.828 0.000 -0.783) 2.935 6.793 ( -0.939 0.000 6.446) 6.514 6.862 ( -7.390 0.000 3.001) 7.976 6.875 ( 2.805 0.000 -5.916) 6.548 6.944 ( -4.962 0.000 5.705) 7.561 6.981 ( 1.845 0.000 3.430) 3.895 7.239 ( -5.870 0.000 9.284) 10.984 7.271 ( 3.161 0.000 -6.891) 7.581 7.598 ( -3.308 0.000 -5.372) 6.309 7.624 ( -1.840 0.000 -5.531) 5.829 7.627 ( -1.457 0.000 -1.727) 2.260 7.702 ( -3.800 0.000 -10.195) 10.880 8.064 ( -1.358 0.000 3.507) 3.761 8.280 ( 0.965 0.000 6.459) 6.530 8.319 ( -2.482 0.000 -0.742) 2.591 8.386 ( 1.480 0.000 2.221) 2.669 8.491 ( 0.278 0.000 4.263) 4.272 8.614 ( -0.973 0.000 -1.727) 1.982 8.658 ( 1.386 0.000 5.078) 5.264 8.791 ( 0.284 0.000 -7.126) 7.132 8.867 ( -0.551 0.000 1.385) 1.491 8.922 ( -3.107 0.000 -3.192) 4.454 8.962 ( -2.680 0.000 -3.819) 4.666 9.064 ( -3.715 0.000 -3.642) 5.203 9.309 ( 0.859 0.000 -1.295) 1.554 9.343 ( -4.506 0.000 3.807) 5.899 9.437 ( 1.506 0.000 -0.270) 1.530 9.502 ( -5.551 0.000 3.149) 6.382 9.791 ( 1.562 0.000 1.659) 2.279 9.885 ( 3.311 0.000 -0.172) 3.315 9.997 ( -2.705 0.000 -0.400) 2.734 10.017 ( 1.713 0.000 -2.755) 3.244 10.098 ( -1.711 0.000 1.791) 2.477 10.289 ( 1.693 0.000 -2.452) 2.980 10.315 ( 1.709 0.000 2.767) 3.252 10.417 ( 0.607 0.000 -4.028) 4.074 10.458 ( -2.451 0.000 0.091) 2.453 10.596 ( 0.124 0.000 -0.982) 0.990 10.677 ( 4.546 0.000 -1.593) 4.817 10.796 ( -0.034 0.000 -0.024) 0.042 10.797 ( -1.484 0.000 -1.246) 1.938 10.937 ( -0.038 0.000 -3.172) 3.172 11.019 ( 3.116 0.000 -1.044) 3.286 11.183 ( -1.636 0.000 2.000) 2.584 11.463 ( -1.846 0.000 6.785) 7.032 11.592 ( 2.705 0.000 6.502) 7.042 11.635 ( -0.835 0.000 1.514) 1.729 11.693 ( 0.557 0.000 -1.612) 1.705 11.876 ( -1.962 0.000 -6.128) 6.435 11.933 ( -1.764 0.000 0.570) 1.853 11.935 ( -2.859 0.000 -0.216) 2.867 12.072 ( 6.346 0.000 -2.441) 6.800 12.159 ( -0.455 0.000 -10.996) 11.005 12.179 ( -3.211 0.000 2.080) 3.826 12.557 ( -2.275 0.000 1.926) 2.981 12.573 ( 1.627 0.000 -3.368) 3.740 12.773 ( -0.071 0.000 -1.613) 1.615 12.815 ( -4.031 0.000 1.907) 4.459 13.100 ( -0.865 0.000 0.776) 1.162 13.182 ( -0.007 0.000 -2.763) 2.763 13.792 ( -3.388 0.000 0.588) 3.439 13.883 ( -5.467 0.000 -0.525) 5.492 16.007 ( 0.196 0.000 3.056) 3.063 16.035 ( 0.874 0.000 2.211) 2.378 16.616 ( -0.660 0.000 -3.760) 3.817 16.650 ( -0.303 0.000 -3.377) 3.391 17.590 ( 5.158 0.000 3.249) 6.096 17.721 ( 4.449 0.000 4.708) 6.478 17.782 ( 0.106 0.000 4.881) 4.883 17.818 ( -2.073 0.000 2.524) 3.266 17.928 ( 0.068 0.000 1.518) 1.520 18.032 ( 1.992 0.000 -9.728) 9.930 18.252 ( 8.792 0.000 -2.658) 9.185 18.494 ( -0.131 0.000 -4.521) 4.523 18.568 ( -2.123 0.000 1.454) 2.573 18.672 ( -8.520 0.000 9.461) 12.732 18.792 ( -5.849 0.000 -0.572) 5.876 18.872 ( 5.360 0.000 -0.336) 5.370 19.138 ( -17.278 0.000 -8.353) 19.191 19.365 ( -15.662 0.000 1.260) 15.712 20.192 ( 8.291 0.000 2.352) 8.618 20.332 ( 8.113 0.000 -0.523) 8.130 20.715 ( 6.410 0.000 2.250) 6.794 20.763 ( 1.520 0.000 3.276) 3.611 20.800 ( 11.205 0.000 -6.711) 13.061 20.829 ( 0.357 0.000 2.771) 2.794 20.913 ( 2.540 0.000 4.798) 5.429 21.112 ( -3.635 0.000 -4.109) 5.486 21.166 ( 1.696 0.000 -8.967) 9.126 21.195 ( -0.216 0.000 -0.036) 0.219 21.203 ( 0.132 0.000 -0.792) 0.803 21.557 ( -0.208 0.000 3.051) 3.058 21.626 ( -4.266 0.000 2.506) 4.948 21.796 ( -5.311 0.000 -5.270) 7.482 22.279 ( 8.528 0.000 5.636) 10.222 22.485 ( 0.358 0.000 4.606) 4.620 23.219 ( -0.290 0.000 0.356) 0.459 23.233 ( 0.199 0.000 -0.492) 0.531 ======================= Grid point 94 (44/64) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 1.226 0.000 -3.091) 3.325 1.100 ( 8.997 0.000 -7.322) 11.600 1.105 ( -8.587 0.000 -6.700) 10.892 1.161 ( -7.971 0.000 -10.792) 13.416 1.626 ( -4.841 0.000 0.670) 4.887 1.659 ( 4.037 0.000 -2.020) 4.514 1.733 ( 5.250 0.000 11.293) 12.454 1.800 ( 2.367 0.000 4.321) 4.927 1.911 ( -8.699 0.000 2.345) 9.009 1.957 ( -0.052 0.000 -0.711) 0.713 2.131 ( -4.774 0.000 -1.575) 5.027 2.140 ( 0.954 0.000 -4.109) 4.218 2.179 ( 4.878 0.000 8.229) 9.566 2.241 ( 10.583 0.000 11.592) 15.696 2.341 ( -0.520 0.000 -0.152) 0.542 2.376 ( -4.574 0.000 -7.485) 8.772 2.405 ( 2.629 0.000 -1.688) 3.125 2.475 ( -2.654 0.000 2.958) 3.974 2.537 ( 2.012 0.000 -3.394) 3.945 2.560 ( -7.054 0.000 -13.368) 15.115 2.652 ( 0.434 0.000 1.489) 1.551 2.702 ( -3.705 0.000 -3.343) 4.991 2.757 ( 1.542 0.000 2.863) 3.252 2.819 ( -2.802 0.000 -3.671) 4.618 2.951 ( -1.344 0.000 4.600) 4.792 3.035 ( 1.127 0.000 -3.660) 3.830 3.075 ( -2.092 0.000 1.023) 2.329 3.096 ( 6.743 0.000 -1.455) 6.898 3.243 ( 0.840 0.000 0.930) 1.254 3.253 ( -0.425 0.000 2.478) 2.514 3.276 ( -1.026 0.000 -1.621) 1.918 3.291 ( 0.365 0.000 -1.271) 1.322 3.477 ( -1.754 0.000 7.385) 7.590 3.488 ( 1.785 0.000 3.500) 3.929 3.553 ( 0.430 0.000 -3.649) 3.674 3.628 ( 1.750 0.000 -8.962) 9.131 3.711 ( 5.143 0.000 2.207) 5.597 3.713 ( -6.255 0.000 0.944) 6.326 3.733 ( 2.411 0.000 -0.477) 2.458 3.739 ( 0.673 0.000 0.634) 0.924 3.870 ( -2.625 0.000 2.839) 3.866 3.932 ( 2.089 0.000 -1.643) 2.658 4.016 ( 1.173 0.000 -0.214) 1.192 4.026 ( -1.104 0.000 -2.408) 2.649 4.126 ( -3.341 0.000 7.084) 7.833 4.234 ( 2.507 0.000 -2.029) 3.225 4.313 ( 1.021 0.000 4.711) 4.821 4.422 ( 1.057 0.000 -4.523) 4.645 4.497 ( 1.767 0.000 4.528) 4.861 4.570 ( -0.989 0.000 -2.932) 3.094 4.661 ( 5.684 0.000 3.225) 6.536 4.746 ( -5.404 0.000 -1.180) 5.532 4.848 ( -1.713 0.000 8.138) 8.316 4.895 ( -2.467 0.000 6.421) 6.878 4.964 ( -0.771 0.000 0.276) 0.819 5.031 ( 7.484 0.000 -4.284) 8.623 5.133 ( 1.728 0.000 5.848) 6.098 5.178 ( 2.429 0.000 1.286) 2.748 5.319 ( 3.710 0.000 -1.596) 4.039 5.343 ( -2.751 0.000 -2.475) 3.701 5.476 ( -1.979 0.000 1.503) 2.485 5.570 ( -1.012 0.000 -7.437) 7.506 5.812 ( -4.097 0.000 2.225) 4.663 5.865 ( 0.121 0.000 -3.247) 3.249 5.934 ( -3.252 0.000 -2.988) 4.417 5.943 ( 3.455 0.000 -5.364) 6.380 6.333 ( -1.635 0.000 2.351) 2.864 6.395 ( 2.130 0.000 -2.247) 3.096 6.440 ( 0.142 0.000 1.524) 1.531 6.473 ( 0.484 0.000 -1.004) 1.114 6.736 ( -8.567 0.000 1.402) 8.681 6.739 ( 7.174 0.000 0.673) 7.206 6.823 ( -2.191 0.000 2.486) 3.314 6.877 ( 3.449 0.000 -3.657) 5.026 6.981 ( -1.595 0.000 10.002) 10.128 7.056 ( 1.020 0.000 5.363) 5.459 7.213 ( -5.884 0.000 4.966) 7.700 7.266 ( 3.881 0.000 -3.799) 5.431 7.413 ( -7.687 0.000 -5.378) 9.382 7.554 ( 4.302 0.000 -12.169) 12.907 7.587 ( 1.119 0.000 -1.827) 2.142 7.592 ( -0.512 0.000 -2.621) 2.670 8.124 ( 2.257 0.000 5.351) 5.808 8.207 ( -3.994 0.000 -4.056) 5.692 8.365 ( 0.874 0.000 4.858) 4.936 8.401 ( -0.998 0.000 0.613) 1.172 8.601 ( 0.078 0.000 1.272) 1.274 8.635 ( 4.326 0.000 7.800) 8.920 8.672 ( -1.279 0.000 -2.331) 2.659 8.794 ( -4.319 0.000 -6.312) 7.648 8.806 ( 4.717 0.000 1.432) 4.930 8.829 ( -3.621 0.000 -0.601) 3.671 8.941 ( 3.473 0.000 -1.905) 3.961 8.948 ( -4.298 0.000 -3.137) 5.321 9.313 ( -2.827 0.000 2.045) 3.489 9.339 ( 3.189 0.000 -0.683) 3.261 9.452 ( -3.673 0.000 2.685) 4.550 9.491 ( 4.433 0.000 -1.054) 4.556 9.838 ( 1.286 0.000 2.655) 2.950 9.893 ( -2.022 0.000 -3.479) 4.024 9.947 ( 0.832 0.000 1.575) 1.781 9.996 ( 0.029 0.000 -3.436) 3.436 10.188 ( 3.432 0.000 7.041) 7.833 10.276 ( -1.176 0.000 -2.492) 2.756 10.326 ( -1.029 0.000 0.448) 1.123 10.376 ( -1.446 0.000 -4.824) 5.036 10.462 ( 3.978 0.000 2.119) 4.507 10.531 ( -4.253 0.000 -3.885) 5.760 10.710 ( -3.679 0.000 -2.307) 4.343 10.710 ( 1.677 0.000 -1.637) 2.343 10.827 ( 0.876 0.000 2.854) 2.985 10.870 ( -1.999 0.000 -2.166) 2.948 11.130 ( 5.947 0.000 1.162) 6.059 11.140 ( -4.553 0.000 -0.061) 4.553 11.543 ( 1.598 0.000 8.007) 8.165 11.641 ( -2.814 0.000 -2.954) 4.079 11.643 ( -1.011 0.000 2.700) 2.883 11.691 ( -1.027 0.000 2.258) 2.481 11.825 ( 5.888 0.000 0.170) 5.891 11.905 ( -2.540 0.000 -0.321) 2.560 11.934 ( 0.606 0.000 -0.034) 0.607 12.018 ( 1.167 0.000 -13.183) 13.234 12.125 ( -5.643 0.000 1.697) 5.893 12.154 ( 4.886 0.000 -1.490) 5.108 12.536 ( -2.398 0.000 1.920) 3.072 12.578 ( 2.380 0.000 -2.656) 3.567 12.763 ( -4.178 0.000 2.198) 4.721 12.787 ( 2.592 0.000 -0.607) 2.662 13.108 ( 0.265 0.000 1.505) 1.528 13.147 ( -0.185 0.000 -2.762) 2.768 13.763 ( -1.733 0.000 2.719) 3.224 13.809 ( -0.987 0.000 -1.819) 2.070 16.053 ( 0.615 0.000 2.860) 2.926 16.071 ( 0.367 0.000 1.046) 1.108 16.572 ( 0.008 0.000 -1.639) 1.639 16.595 ( -0.700 0.000 -3.722) 3.787 17.680 ( 2.513 0.000 4.559) 5.206 17.725 ( -5.767 0.000 1.726) 6.019 17.852 ( 0.938 0.000 2.688) 2.847 17.874 ( 2.593 0.000 0.796) 2.713 17.951 ( -1.075 0.000 -0.481) 1.177 17.961 ( 0.805 0.000 -4.607) 4.676 18.413 ( 5.139 0.000 0.643) 5.179 18.429 ( -3.555 0.000 -0.844) 3.654 18.610 ( 4.255 0.000 5.866) 7.247 18.687 ( 2.143 0.000 1.809) 2.804 18.719 ( -0.725 0.000 -0.414) 0.835 18.807 ( -6.579 0.000 -6.685) 9.380 19.049 ( 13.080 0.000 0.781) 13.103 19.076 ( -13.660 0.000 -2.519) 13.890 20.365 ( 3.335 0.000 5.366) 6.318 20.439 ( 0.531 0.000 -2.116) 2.181 20.744 ( -5.019 0.000 0.924) 5.103 20.769 ( 0.298 0.000 -1.092) 1.132 20.786 ( 1.104 0.000 1.077) 1.542 20.818 ( -1.859 0.000 -0.791) 2.021 21.040 ( -1.321 0.000 -0.500) 1.413 21.098 ( 3.077 0.000 -5.721) 6.496 21.190 ( 1.431 0.000 0.133) 1.437 21.192 ( -0.249 0.000 -0.036) 0.252 21.277 ( 16.669 0.000 6.058) 17.736 21.418 ( -15.895 0.000 -7.729) 17.674 21.591 ( -3.148 0.000 3.072) 4.399 21.639 ( 1.336 0.000 -3.067) 3.345 22.479 ( 4.605 0.000 4.288) 6.293 22.505 ( -2.134 0.000 1.397) 2.550 23.220 ( -0.120 0.000 0.463) 0.479 23.229 ( 0.084 0.000 -0.545) 0.551 ======================= Grid point 95 (45/64) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -19.059 0.000 5.798) 19.922 0.849 ( -17.406 0.000 2.853) 17.639 1.188 ( -1.137 0.000 2.930) 3.143 1.210 ( -1.112 0.000 8.867) 8.937 1.393 ( -20.844 0.000 3.530) 21.141 1.575 ( -0.652 0.000 6.231) 6.265 1.799 ( 2.911 0.000 -16.225) 16.484 1.919 ( 6.883 0.000 -0.235) 6.887 1.966 ( 1.269 0.000 5.270) 5.421 2.018 ( 3.578 0.000 8.253) 8.995 2.086 ( 2.211 0.000 -2.236) 3.144 2.170 ( -4.471 0.000 -10.700) 11.597 2.212 ( 4.212 0.000 -3.941) 5.768 2.235 ( 4.894 0.000 -0.702) 4.944 2.386 ( 2.232 0.000 3.952) 4.539 2.414 ( 4.838 0.000 -3.002) 5.693 2.432 ( 2.191 0.000 -1.904) 2.903 2.527 ( 0.680 0.000 0.973) 1.187 2.608 ( 11.539 0.000 6.575) 13.281 2.639 ( 9.961 0.000 7.443) 12.435 2.677 ( 3.979 0.000 0.672) 4.036 2.764 ( 0.291 0.000 -1.705) 1.730 2.789 ( 4.915 0.000 3.658) 6.127 2.865 ( 6.274 0.000 0.988) 6.352 2.963 ( -4.718 0.000 2.844) 5.508 3.017 ( 3.568 0.000 -0.842) 3.666 3.039 ( 0.965 0.000 -0.931) 1.341 3.163 ( 5.214 0.000 -5.414) 7.517 3.207 ( -1.981 0.000 -2.924) 3.532 3.270 ( -1.314 0.000 1.698) 2.147 3.292 ( 2.347 0.000 -2.180) 3.204 3.304 ( 1.244 0.000 3.435) 3.653 3.462 ( -5.050 0.000 -4.076) 6.490 3.481 ( -5.168 0.000 -1.889) 5.502 3.547 ( 0.398 0.000 -4.978) 4.994 3.572 ( 2.384 0.000 7.058) 7.450 3.699 ( 3.888 0.000 -0.355) 3.904 3.739 ( 0.357 0.000 -2.197) 2.225 3.749 ( 2.795 0.000 -0.086) 2.797 3.825 ( -5.812 0.000 3.685) 6.882 3.848 ( 5.697 0.000 -1.977) 6.030 3.918 ( -0.497 0.000 -6.295) 6.315 3.981 ( -0.333 0.000 3.402) 3.418 4.034 ( 0.836 0.000 1.599) 1.804 4.158 ( -3.293 0.000 5.732) 6.611 4.253 ( 4.671 0.000 -7.030) 8.441 4.356 ( -0.723 0.000 -9.000) 9.029 4.368 ( -2.043 0.000 4.224) 4.692 4.486 ( -2.091 0.000 -3.016) 3.669 4.557 ( -2.137 0.000 0.205) 2.147 4.602 ( -0.864 0.000 -1.351) 1.603 4.803 ( 3.069 0.000 3.414) 4.590 4.853 ( -6.293 0.000 7.645) 9.902 4.905 ( -6.587 0.000 -19.874) 20.937 4.972 ( 0.602 0.000 4.144) 4.187 4.974 ( 2.569 0.000 -1.363) 2.908 5.131 ( -3.803 0.000 -2.270) 4.429 5.138 ( -1.291 0.000 -6.885) 7.005 5.239 ( -4.828 0.000 -1.422) 5.033 5.363 ( 0.896 0.000 1.293) 1.572 5.534 ( 2.998 0.000 -1.282) 3.261 5.537 ( 0.819 0.000 7.330) 7.376 5.812 ( -2.410 0.000 7.027) 7.429 5.850 ( -3.769 0.000 0.702) 3.834 5.893 ( 4.462 0.000 0.674) 4.513 5.960 ( 0.410 0.000 0.055) 0.414 6.323 ( -3.511 0.000 2.697) 4.427 6.387 ( -3.397 0.000 -1.263) 3.624 6.392 ( -1.582 0.000 -0.506) 1.661 6.425 ( -2.020 0.000 -2.590) 3.285 6.628 ( -3.807 0.000 0.564) 3.848 6.802 ( -1.993 0.000 2.467) 3.171 6.878 ( 5.163 0.000 1.531) 5.385 6.902 ( 3.509 0.000 -4.837) 5.976 6.993 ( -4.837 0.000 2.040) 5.250 7.063 ( -0.020 0.000 -6.212) 6.212 7.171 ( -3.573 0.000 3.225) 4.813 7.355 ( 6.723 0.000 -0.648) 6.754 7.388 ( 0.053 0.000 21.810) 21.810 7.570 ( 8.001 0.000 -5.669) 9.805 7.571 ( 0.193 0.000 0.101) 0.218 7.609 ( 1.896 0.000 0.476) 1.955 8.119 ( -1.400 0.000 -2.675) 3.020 8.251 ( 4.376 0.000 5.475) 7.009 8.371 ( -1.130 0.000 -2.663) 2.892 8.405 ( -0.762 0.000 1.048) 1.296 8.601 ( -3.328 0.000 -2.691) 4.280 8.620 ( 0.736 0.000 -2.346) 2.459 8.686 ( 0.629 0.000 -0.567) 0.847 8.751 ( -2.243 0.000 -3.005) 3.750 8.820 ( 3.836 0.000 7.437) 8.368 8.879 ( -1.159 0.000 3.267) 3.466 8.887 ( 2.843 0.000 0.147) 2.847 9.006 ( 3.010 0.000 1.790) 3.502 9.286 ( -1.817 0.000 1.147) 2.149 9.381 ( 1.109 0.000 0.163) 1.121 9.444 ( 2.628 0.000 -1.399) 2.978 9.559 ( 5.282 0.000 -2.541) 5.861 9.826 ( -1.732 0.000 -2.162) 2.770 9.877 ( -1.478 0.000 1.288) 1.960 9.975 ( -0.245 0.000 1.207) 1.231 9.986 ( 3.561 0.000 -0.205) 3.567 10.180 ( -1.914 0.000 -6.050) 6.345 10.267 ( -0.558 0.000 0.087) 0.565 10.358 ( 1.401 0.000 0.202) 1.415 10.387 ( -6.004 0.000 -3.450) 6.925 10.402 ( 5.369 0.000 6.637) 8.536 10.551 ( 0.723 0.000 3.980) 4.045 10.637 ( -4.290 0.000 1.460) 4.532 10.729 ( 0.519 0.000 4.321) 4.352 10.820 ( -1.325 0.000 -1.557) 2.045 10.873 ( 0.408 0.000 3.191) 3.216 11.032 ( -5.307 0.000 -1.882) 5.631 11.211 ( 2.378 0.000 -0.768) 2.499 11.568 ( 0.178 0.000 -4.343) 4.347 11.657 ( -0.485 0.000 2.240) 2.292 11.674 ( -0.267 0.000 -1.781) 1.801 11.690 ( 2.199 0.000 6.771) 7.119 11.787 ( -1.516 0.000 -7.441) 7.594 11.946 ( 1.063 0.000 -0.177) 1.077 11.957 ( 1.603 0.000 -3.583) 3.925 11.983 ( 4.814 0.000 6.030) 7.716 12.030 ( -6.284 0.000 2.307) 6.694 12.203 ( 1.696 0.000 -0.483) 1.764 12.520 ( -1.615 0.000 2.243) 2.764 12.590 ( 1.858 0.000 -1.877) 2.641 12.732 ( -1.944 0.000 3.066) 3.631 12.833 ( 2.573 0.000 -0.197) 2.580 13.123 ( 0.522 0.000 -1.756) 1.832 13.138 ( 0.683 0.000 1.929) 2.047 13.801 ( 1.339 0.000 -0.478) 1.421 13.814 ( 2.728 0.000 6.553) 7.098 16.061 ( -0.374 0.000 -2.231) 2.262 16.070 ( -0.404 0.000 -0.756) 0.857 16.568 ( 0.227 0.000 0.393) 0.454 16.589 ( 0.968 0.000 2.383) 2.573 17.632 ( -3.478 0.000 -0.600) 3.530 17.785 ( -2.615 0.000 6.711) 7.203 17.821 ( 0.285 0.000 -5.169) 5.177 17.876 ( 0.190 0.000 -3.357) 3.362 17.923 ( -1.459 0.000 -0.090) 1.462 17.952 ( -1.002 0.000 0.514) 1.126 18.268 ( -10.997 0.000 -5.508) 12.299 18.425 ( -1.106 0.000 2.708) 2.925 18.612 ( 0.032 0.000 -4.017) 4.017 18.773 ( 5.020 0.000 1.863) 5.354 18.798 ( 11.123 0.000 -4.012) 11.825 18.859 ( -3.915 0.000 1.287) 4.121 18.985 ( 12.673 0.000 7.129) 14.540 19.355 ( 17.566 0.000 1.690) 17.647 20.265 ( -10.915 0.000 -5.304) 12.135 20.330 ( -8.818 0.000 0.333) 8.825 20.694 ( -8.193 0.000 4.825) 9.508 20.768 ( -3.176 0.000 -2.556) 4.076 20.794 ( 0.012 0.000 -0.498) 0.498 20.863 ( 3.913 0.000 1.172) 4.084 20.989 ( -4.715 0.000 -1.033) 4.827 21.060 ( -7.644 0.000 -2.124) 7.933 21.077 ( 1.991 0.000 -2.066) 2.869 21.195 ( 0.143 0.000 -0.055) 0.153 21.199 ( -0.324 0.000 0.050) 0.328 21.577 ( -1.693 0.000 1.734) 2.423 21.661 ( 2.710 0.000 -1.337) 3.022 21.666 ( 14.847 0.000 6.855) 16.353 22.411 ( -6.995 0.000 -6.234) 9.369 22.542 ( 1.105 0.000 -1.201) 1.632 23.224 ( -0.164 0.000 0.506) 0.532 23.225 ( 0.105 0.000 -0.354) 0.369 ======================= Grid point 96 (46/64) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -10.333 0.000 18.470) 21.164 0.683 ( -11.459 0.000 18.099) 21.422 1.118 ( -4.533 0.000 -3.515) 5.736 1.141 ( -12.121 0.000 29.533) 31.923 1.430 ( 1.692 0.000 10.875) 11.006 1.673 ( 1.526 0.000 5.432) 5.643 1.699 ( -9.736 0.000 -14.325) 17.321 1.806 ( 7.399 0.000 2.639) 7.855 2.076 ( 4.461 0.000 3.166) 5.471 2.103 ( 5.415 0.000 -5.619) 7.804 2.133 ( -0.024 0.000 5.333) 5.333 2.166 ( 4.223 0.000 -8.976) 9.920 2.319 ( -0.503 0.000 -4.956) 4.981 2.323 ( 12.473 0.000 2.681) 12.758 2.415 ( 2.662 0.000 -1.403) 3.009 2.456 ( 0.593 0.000 -0.222) 0.633 2.500 ( 2.882 0.000 0.683) 2.962 2.608 ( 7.860 0.000 3.988) 8.814 2.648 ( -4.917 0.000 0.329) 4.928 2.750 ( -1.735 0.000 -6.850) 7.066 2.771 ( 3.127 0.000 -0.046) 3.127 2.835 ( 4.103 0.000 1.082) 4.244 2.918 ( -1.501 0.000 3.184) 3.520 2.951 ( 2.276 0.000 -0.885) 2.442 2.969 ( 10.115 0.000 3.783) 10.799 3.041 ( -0.559 0.000 -3.750) 3.791 3.052 ( 0.257 0.000 -0.141) 0.293 3.157 ( 0.238 0.000 -4.472) 4.478 3.200 ( -3.570 0.000 -7.346) 8.167 3.231 ( -1.054 0.000 -0.222) 1.078 3.281 ( 3.200 0.000 0.872) 3.317 3.297 ( -4.933 0.000 -4.207) 6.483 3.389 ( 1.309 0.000 5.938) 6.080 3.457 ( 6.418 0.000 -0.413) 6.431 3.554 ( -2.137 0.000 0.926) 2.329 3.642 ( -0.284 0.000 -0.195) 0.344 3.651 ( 0.472 0.000 -5.731) 5.751 3.712 ( -3.972 0.000 2.248) 4.564 3.735 ( -6.431 0.000 -4.476) 7.835 3.810 ( 1.866 0.000 -5.233) 5.556 3.858 ( 1.154 0.000 -4.814) 4.950 3.959 ( 8.358 0.000 2.624) 8.760 4.044 ( 2.400 0.000 -0.213) 2.409 4.100 ( -6.315 0.000 4.351) 7.669 4.134 ( 4.679 0.000 6.732) 8.199 4.199 ( -2.085 0.000 -4.843) 5.273 4.246 ( -0.137 0.000 -3.659) 3.662 4.334 ( -2.854 0.000 0.959) 3.010 4.443 ( -1.872 0.000 0.380) 1.910 4.534 ( -0.555 0.000 2.641) 2.699 4.567 ( -2.720 0.000 1.186) 2.968 4.663 ( 3.223 0.000 2.994) 4.399 4.808 ( -2.951 0.000 -0.826) 3.065 4.900 ( 1.375 0.000 1.616) 2.122 4.902 ( -4.387 0.000 -7.187) 8.420 4.948 ( -8.900 0.000 -4.322) 9.894 5.044 ( 3.681 0.000 -2.524) 4.463 5.092 ( 1.631 0.000 -5.624) 5.856 5.195 ( 0.250 0.000 1.614) 1.633 5.347 ( -1.522 0.000 -1.808) 2.363 5.607 ( 3.186 0.000 2.770) 4.222 5.611 ( -0.958 0.000 5.977) 6.054 5.796 ( -6.144 0.000 5.919) 8.531 5.861 ( -2.032 0.000 6.134) 6.462 5.916 ( -4.113 0.000 -1.550) 4.396 5.959 ( 2.521 0.000 -2.758) 3.737 6.270 ( -1.733 0.000 -0.757) 1.891 6.290 ( -5.988 0.000 3.287) 6.831 6.396 ( -0.086 0.000 0.520) 0.527 6.414 ( 3.133 0.000 -1.513) 3.479 6.624 ( 2.292 0.000 1.251) 2.611 6.796 ( -2.759 0.000 3.913) 4.788 6.890 ( 3.968 0.000 -6.304) 7.449 6.899 ( -5.871 0.000 -0.666) 5.908 6.954 ( 1.792 0.000 0.988) 2.046 7.053 ( 2.838 0.000 -2.530) 3.802 7.149 ( -4.212 0.000 6.032) 7.357 7.407 ( 4.386 0.000 -7.936) 9.067 7.598 ( 0.972 0.000 2.619) 2.794 7.649 ( 2.094 0.000 1.494) 2.573 7.694 ( 6.614 0.000 2.053) 6.925 7.756 ( 9.776 0.000 9.633) 13.725 8.098 ( 1.007 0.000 -0.356) 1.068 8.302 ( -1.089 0.000 -5.384) 5.493 8.327 ( -3.880 0.000 -1.536) 4.173 8.350 ( -1.842 0.000 -2.282) 2.933 8.537 ( 3.282 0.000 -0.850) 3.391 8.635 ( 1.667 0.000 0.062) 1.668 8.691 ( 0.608 0.000 -3.646) 3.696 8.747 ( 1.634 0.000 5.791) 6.017 8.853 ( -3.129 0.000 -1.610) 3.519 8.949 ( 1.725 0.000 1.201) 2.102 9.051 ( 11.398 0.000 5.745) 12.764 9.073 ( 0.172 0.000 4.726) 4.729 9.294 ( 1.113 0.000 3.335) 3.516 9.407 ( 1.923 0.000 0.585) 2.010 9.506 ( 6.463 0.000 -2.608) 6.969 9.613 ( 3.874 0.000 -2.654) 4.695 9.764 ( -3.421 0.000 -2.587) 4.289 9.829 ( -3.170 0.000 -1.005) 3.326 9.963 ( -2.404 0.000 2.170) 3.239 10.034 ( -0.102 0.000 -3.693) 3.695 10.161 ( 4.654 0.000 1.512) 4.893 10.250 ( -1.325 0.000 0.843) 1.571 10.277 ( -2.456 0.000 -0.704) 2.555 10.425 ( 3.567 0.000 4.544) 5.777 10.494 ( 0.242 0.000 -1.556) 1.574 10.543 ( -3.977 0.000 1.420) 4.223 10.583 ( -3.702 0.000 1.593) 4.030 10.792 ( -0.220 0.000 -0.432) 0.485 10.813 ( -1.197 0.000 -2.140) 2.452 10.903 ( 0.271 0.000 2.259) 2.275 11.014 ( 5.121 0.000 4.165) 6.601 11.206 ( -0.715 0.000 -1.830) 1.964 11.544 ( 2.342 0.000 -4.936) 5.464 11.555 ( -6.505 0.000 -5.072) 8.249 11.654 ( 0.143 0.000 -1.044) 1.053 11.668 ( -0.915 0.000 1.475) 1.736 11.880 ( 1.603 0.000 1.288) 2.056 11.920 ( -4.612 0.000 1.347) 4.805 11.986 ( 0.700 0.000 0.780) 1.048 12.005 ( 3.966 0.000 1.941) 4.416 12.139 ( 3.167 0.000 6.815) 7.515 12.245 ( 4.988 0.000 1.074) 5.102 12.536 ( -0.100 0.000 2.912) 2.913 12.602 ( 1.446 0.000 -1.328) 1.963 12.789 ( 4.357 0.000 3.361) 5.503 12.867 ( 1.134 0.000 0.185) 1.149 13.129 ( 1.628 0.000 -0.593) 1.733 13.167 ( -0.097 0.000 1.719) 1.722 13.840 ( 2.109 0.000 1.816) 2.784 14.019 ( 11.088 0.000 1.802) 11.233 16.027 ( 0.105 0.000 -2.769) 2.771 16.036 ( -0.562 0.000 -2.138) 2.211 16.599 ( -0.043 0.000 3.474) 3.474 16.637 ( 0.542 0.000 2.764) 2.817 17.494 ( -9.719 0.000 -5.945) 11.393 17.640 ( -6.847 0.000 -4.890) 8.414 17.820 ( 0.118 0.000 -4.702) 4.703 17.849 ( -0.822 0.000 -3.840) 3.927 17.957 ( 0.623 0.000 7.792) 7.817 17.962 ( 5.019 0.000 7.863) 9.328 18.127 ( 0.652 0.000 3.211) 3.277 18.458 ( -0.942 0.000 3.404) 3.532 18.616 ( 1.999 0.000 -0.758) 2.138 18.820 ( -0.165 0.000 1.894) 1.901 18.828 ( 2.029 0.000 -6.169) 6.494 18.989 ( 12.945 0.000 -3.694) 13.462 19.412 ( 20.937 0.000 10.807) 23.562 19.606 ( 6.174 0.000 0.032) 6.174 20.046 ( -7.566 0.000 -0.293) 7.572 20.237 ( 2.273 0.000 1.737) 2.861 20.461 ( -14.539 0.000 -0.785) 14.560 20.668 ( -5.055 0.000 2.097) 5.473 20.757 ( -1.966 0.000 -4.943) 5.319 20.827 ( -2.665 0.000 -4.828) 5.515 20.898 ( -3.612 0.000 -3.147) 4.791 21.105 ( 2.229 0.000 9.192) 9.458 21.131 ( -2.005 0.000 1.288) 2.383 21.198 ( -0.072 0.000 -0.056) 0.091 21.199 ( -0.034 0.000 0.375) 0.376 21.533 ( -5.244 0.000 -3.164) 6.125 21.693 ( 1.948 0.000 -0.776) 2.097 21.833 ( -3.334 0.000 -6.686) 7.471 22.149 ( -6.568 0.000 1.416) 6.719 22.508 ( -0.676 0.000 -5.088) 5.132 23.225 ( -0.292 0.000 0.459) 0.544 23.228 ( 0.522 0.000 -0.226) 0.569 ======================= Grid point 97 (47/64) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -3.705 14.283 14.186) 20.469 1.070 ( 2.170 9.687 -5.845) 11.520 1.172 ( 2.682 17.326 15.850) 23.635 1.453 ( -1.693 13.249 -13.417) 18.932 1.735 ( 7.470 14.980 28.482) 33.036 1.820 ( -1.206 15.278 10.388) 18.514 1.884 ( -1.062 8.388 2.696) 8.875 2.080 ( -0.677 -0.642 -5.750) 5.825 2.113 ( 0.565 6.276 -9.347) 11.273 2.177 ( -3.106 3.167 -12.415) 13.183 2.205 ( 1.487 8.324 1.334) 8.560 2.224 ( 2.472 0.917 0.479) 2.680 2.256 ( -1.087 8.945 1.933) 9.215 2.384 ( -3.893 6.252 -10.151) 12.541 2.451 ( -0.613 0.523 5.634) 5.691 2.491 ( 0.386 1.162 2.837) 3.090 2.534 ( 0.250 1.417 -0.777) 1.635 2.579 ( -1.316 0.135 -5.546) 5.702 2.719 ( 5.127 1.176 2.321) 5.750 2.769 ( -3.436 -0.359 -1.031) 3.605 2.806 ( -1.101 -0.300 1.046) 1.548 2.863 ( -2.618 -1.038 -2.739) 3.929 2.923 ( 0.415 0.038 2.884) 2.914 2.975 ( -0.480 -0.042 -2.263) 2.314 2.989 ( 1.765 0.473 -1.366) 2.282 3.004 ( 1.741 -0.693 -2.127) 2.835 3.074 ( 4.183 -4.469 -1.253) 6.248 3.114 ( -0.474 -3.623 -4.643) 5.908 3.170 ( 3.234 4.479 1.699) 5.779 3.195 ( 0.856 -0.069 -1.261) 1.526 3.311 ( 3.126 -0.507 -1.369) 3.450 3.330 ( -9.106 0.776 -2.903) 9.589 3.451 ( -1.981 6.896 3.725) 8.085 3.488 ( -0.299 10.665 2.223) 10.899 3.556 ( 0.012 5.754 -0.017) 5.754 3.601 ( -0.108 9.543 -3.361) 10.118 3.704 ( 0.754 3.851 2.789) 4.814 3.770 ( 0.362 2.212 -4.167) 4.732 3.823 ( -4.958 10.788 2.839) 12.208 3.868 ( 1.488 10.846 0.398) 10.955 3.960 ( 3.348 10.383 -0.027) 10.909 4.010 ( -1.034 7.815 -4.454) 9.054 4.055 ( 3.785 -0.533 5.364) 6.586 4.123 ( -3.096 4.893 -2.720) 6.397 4.253 ( -1.926 2.580 1.557) 3.577 4.273 ( 1.662 1.242 0.518) 2.139 4.418 ( 4.126 4.176 3.329) 6.749 4.470 ( -2.687 4.060 -1.682) 5.151 4.484 ( 1.951 6.808 1.329) 7.205 4.539 ( -3.925 3.505 -3.565) 6.356 4.700 ( 3.386 -4.686 4.834) 7.536 4.715 ( -1.519 4.651 3.798) 6.194 4.756 ( -1.858 2.763 -2.659) 4.261 4.778 ( 0.196 0.954 1.289) 1.615 4.812 ( 1.917 6.859 -5.309) 8.883 4.903 ( 0.636 -1.234 -9.307) 9.410 4.951 ( 2.312 -0.086 4.168) 4.767 5.038 ( -3.018 -1.859 -4.802) 5.968 5.359 ( 1.586 6.504 1.528) 6.867 5.381 ( -1.826 5.110 -0.896) 5.500 5.538 ( 1.989 -9.939 1.899) 10.312 5.553 ( -2.100 -10.322 0.902) 10.572 5.799 ( 0.492 2.219 1.147) 2.546 5.827 ( 0.191 1.407 -0.562) 1.527 5.935 ( -1.544 4.027 5.536) 7.018 5.995 ( 0.368 4.146 -1.947) 4.596 6.217 ( -0.752 -2.252 4.450) 5.044 6.284 ( 2.722 -1.134 -2.455) 3.837 6.405 ( -1.622 -0.302 2.835) 3.280 6.463 ( 1.877 0.704 -3.000) 3.608 6.726 ( -0.557 -0.636 1.799) 1.988 6.770 ( -1.159 0.075 -2.531) 2.785 6.823 ( 0.350 2.633 0.827) 2.781 6.865 ( -0.022 -2.700 -1.406) 3.044 6.970 ( 1.249 -1.212 1.582) 2.352 7.038 ( -0.196 -0.351 -4.470) 4.488 7.136 ( -4.745 -2.067 9.037) 10.414 7.305 ( 3.693 -4.631 -8.352) 10.240 7.657 ( -0.173 0.471 2.655) 2.702 7.682 ( 0.763 -2.181 0.203) 2.319 7.741 ( -0.731 -1.850 4.098) 4.555 7.797 ( 1.217 -4.654 -1.248) 4.969 8.105 ( -0.056 -4.353 1.967) 4.777 8.138 ( -1.210 -3.963 -1.440) 4.386 8.193 ( 1.084 -5.529 0.082) 5.635 8.247 ( -2.200 -1.737 -5.582) 6.246 8.588 ( 2.513 -7.003 2.562) 7.869 8.625 ( -1.936 -5.738 -1.471) 6.232 8.705 ( 0.816 1.054 2.762) 3.067 8.728 ( -2.006 0.217 0.314) 2.042 8.837 ( 4.366 -2.051 1.443) 5.035 8.887 ( -0.650 -4.943 -2.992) 5.815 9.087 ( -1.703 -3.278 6.009) 7.054 9.144 ( 2.420 -3.697 1.637) 4.712 9.320 ( -0.116 0.711 1.034) 1.260 9.387 ( -1.048 -5.484 -4.260) 7.023 9.588 ( -0.223 -4.341 2.167) 4.857 9.623 ( 0.234 0.113 -1.617) 1.638 9.709 ( -1.410 0.435 -2.174) 2.628 9.723 ( 0.010 2.157 -3.432) 4.053 9.967 ( 0.463 2.245 0.732) 2.406 9.977 ( -0.904 3.722 0.080) 3.831 10.352 ( 2.989 4.578 1.317) 5.624 10.367 ( -0.593 8.237 0.755) 8.292 10.404 ( -0.812 2.318 2.014) 3.176 10.434 ( 1.988 6.671 -1.386) 7.098 10.506 ( -0.112 1.522 0.711) 1.684 10.526 ( -1.929 3.034 -1.602) 3.936 10.663 ( 5.931 5.173 1.464) 8.005 10.717 ( -4.087 3.661 -4.220) 6.921 10.914 ( -0.012 8.751 4.638) 9.904 11.026 ( -2.147 9.546 -5.874) 11.412 11.175 ( -1.268 5.215 2.861) 6.082 11.256 ( 0.939 7.073 -6.654) 9.756 11.457 ( -2.695 0.132 4.370) 5.135 11.542 ( 1.826 1.139 -4.764) 5.227 11.665 ( -1.755 0.577 1.080) 2.140 11.676 ( 0.899 1.571 -0.155) 1.817 11.826 ( -0.676 -4.514 1.284) 4.742 11.863 ( 2.318 -4.187 -2.603) 5.448 12.003 ( -1.682 -1.362 0.566) 2.237 12.009 ( 0.765 -0.510 0.017) 0.920 12.228 ( -0.489 -0.920 5.943) 6.033 12.316 ( 2.727 0.076 -3.544) 4.472 12.532 ( -0.757 -3.587 1.584) 3.994 12.558 ( 0.971 -5.086 -1.125) 5.299 12.791 ( -1.941 -5.185 1.796) 5.820 12.812 ( 2.154 -4.991 -0.691) 5.479 13.163 ( -1.496 -0.368 1.629) 2.242 13.190 ( 1.773 0.725 -1.468) 2.413 13.702 ( -2.553 -18.905 3.726) 19.437 13.755 ( 0.168 -20.031 -1.313) 20.075 16.158 ( 0.678 12.998 3.914) 13.591 16.297 ( -1.731 16.278 -11.912) 20.246 16.754 ( -3.537 9.453 3.822) 10.792 16.832 ( 3.828 10.879 -4.992) 12.567 17.447 ( 2.254 6.235 6.470) 9.264 17.569 ( -4.497 8.941 -5.912) 11.624 17.685 ( -0.902 -7.140 -0.916) 7.255 17.733 ( 0.013 -4.274 -6.020) 7.382 18.064 ( 0.552 0.151 6.474) 6.499 18.109 ( -0.120 2.979 2.106) 3.650 18.332 ( -3.606 -5.716 0.390) 6.769 18.359 ( 7.991 -0.423 -3.413) 8.700 18.678 ( 2.193 4.310 5.303) 7.176 18.792 ( -4.026 5.219 -6.226) 9.067 18.932 ( 4.074 2.324 5.474) 7.209 19.065 ( -3.059 5.029 -9.487) 11.164 19.653 ( -1.034 -1.984 4.616) 5.130 19.738 ( 5.076 -2.915 -4.258) 7.238 20.085 ( 10.383 -3.130 5.170) 12.014 20.172 ( -9.071 -3.392 -4.272) 10.585 20.405 ( 5.191 -4.163 1.420) 6.804 20.421 ( -9.458 -6.095 -0.036) 11.251 20.614 ( 6.469 -6.718 4.381) 10.304 20.680 ( -4.816 -4.092 -3.260) 7.111 20.814 ( 5.787 -3.508 2.879) 7.354 20.853 ( -7.082 -6.289 -1.065) 9.531 21.029 ( 0.425 -6.065 0.399) 6.093 21.048 ( -1.318 -6.159 -1.992) 6.606 21.356 ( -0.318 5.336 5.274) 7.509 21.445 ( 0.561 4.912 -4.174) 6.470 22.023 ( 0.508 22.836 2.274) 22.955 22.089 ( -1.003 20.977 -4.550) 21.488 22.216 ( 1.622 0.931 7.552) 7.780 22.367 ( -1.289 -3.846 -7.778) 8.772 23.211 ( -0.268 -1.541 0.590) 1.672 23.222 ( 0.262 -1.173 -0.631) 1.357 ======================= Grid point 98 (48/64) ======================= q-point: ( 0.17 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 4.609 10.183 12.173) 16.526 1.039 ( 6.102 9.113 -11.838) 16.137 1.305 ( 4.449 17.835 -15.636) 24.132 1.457 ( 8.841 13.181 13.193) 20.638 1.756 ( -5.245 13.239 -10.778) 17.859 1.815 ( -8.483 7.427 0.244) 11.277 1.933 ( -1.353 7.081 -12.663) 14.571 2.006 ( -3.730 7.872 1.176) 8.790 2.039 ( -3.163 4.024 0.841) 5.188 2.108 ( -6.962 3.410 3.486) 8.500 2.156 ( -0.635 5.781 4.859) 7.579 2.194 ( -0.743 5.685 1.251) 5.868 2.285 ( 2.182 3.194 0.027) 3.868 2.337 ( -1.537 9.073 7.377) 11.795 2.456 ( -3.793 2.243 -2.077) 4.871 2.479 ( -4.014 0.773 -1.021) 4.214 2.537 ( -0.488 3.509 -1.529) 3.859 2.596 ( 2.358 -0.650 4.761) 5.352 2.670 ( -0.944 -0.034 0.639) 1.140 2.694 ( -0.995 -0.123 -0.449) 1.099 2.761 ( -5.904 -0.417 0.715) 5.962 2.869 ( -1.678 -1.912 -0.803) 2.668 2.909 ( -3.998 -0.902 0.124) 4.100 2.976 ( -1.519 0.316 -2.592) 3.021 2.993 ( 0.840 -6.655 0.323) 6.715 3.017 ( 2.002 -0.797 -0.112) 2.158 3.082 ( -0.486 5.697 -0.509) 5.741 3.118 ( -0.717 2.234 0.869) 2.502 3.126 ( 4.792 2.429 -1.859) 5.685 3.139 ( 0.403 -0.981 -2.328) 2.558 3.337 ( 4.593 0.148 2.704) 5.332 3.436 ( -1.613 7.573 1.725) 7.932 3.468 ( 0.569 6.083 1.590) 6.313 3.536 ( 5.115 3.845 -2.731) 6.957 3.549 ( 2.074 1.271 1.904) 3.089 3.591 ( -0.570 13.589 0.616) 13.615 3.674 ( -1.898 1.943 0.538) 2.769 3.753 ( -6.372 9.035 3.099) 11.482 3.781 ( 0.490 7.058 0.380) 7.085 3.893 ( 2.593 7.202 0.399) 7.665 3.948 ( 0.033 10.932 -0.861) 10.966 4.006 ( -4.804 4.258 -3.079) 7.119 4.034 ( 0.561 3.935 -2.368) 4.626 4.151 ( 1.957 1.468 1.351) 2.794 4.210 ( -5.141 4.020 1.176) 6.631 4.286 ( -0.470 4.942 -0.553) 4.995 4.309 ( -5.775 3.250 -2.707) 7.159 4.385 ( -3.537 4.743 1.377) 6.075 4.520 ( 0.632 4.963 -0.130) 5.004 4.571 ( 0.563 0.444 2.549) 2.648 4.675 ( -4.307 -1.564 -0.826) 4.657 4.723 ( 1.408 1.525 -0.380) 2.111 4.803 ( 1.878 6.875 -0.103) 7.127 4.820 ( 2.593 -1.146 -0.051) 2.836 4.838 ( 0.526 6.571 4.150) 7.790 4.877 ( 6.942 -2.453 -2.306) 7.715 4.930 ( -2.282 -1.106 -3.308) 4.169 5.051 ( 2.203 -1.760 5.119) 5.845 5.322 ( -1.768 8.123 -0.679) 8.341 5.416 ( 1.925 4.597 0.355) 4.996 5.526 ( -0.732 -10.557 -1.514) 10.690 5.613 ( 3.532 -10.256 -0.140) 10.848 5.754 ( 0.018 1.977 1.136) 2.280 5.925 ( -0.701 1.901 -1.790) 2.704 5.976 ( 8.894 2.144 1.503) 9.271 6.032 ( 2.488 4.443 -1.909) 5.438 6.220 ( -1.060 0.101 0.900) 1.394 6.308 ( 3.732 -4.655 -4.200) 7.296 6.405 ( -1.069 1.037 1.387) 2.035 6.463 ( 2.057 1.717 -1.850) 3.256 6.727 ( -0.901 3.893 -0.616) 4.043 6.753 ( -1.227 -2.139 4.683) 5.293 6.821 ( -1.749 -2.380 1.595) 3.356 6.867 ( 1.780 -2.623 -3.320) 4.590 6.962 ( -2.438 -0.302 -2.411) 3.442 7.000 ( -0.904 2.097 2.595) 3.456 7.152 ( -4.381 -4.673 8.481) 10.628 7.292 ( 4.306 -1.412 -6.499) 7.923 7.657 ( -2.102 -1.870 -0.542) 2.865 7.669 ( -1.482 -1.081 -0.813) 2.006 7.699 ( -3.495 -1.497 -0.575) 3.845 7.794 ( -0.824 -2.549 -2.688) 3.795 8.052 ( -3.976 -3.777 0.844) 5.549 8.161 ( -1.069 -5.061 -0.580) 5.206 8.208 ( 3.879 -4.562 1.901) 6.283 8.257 ( 2.198 -3.421 3.714) 5.507 8.552 ( -2.903 -4.666 -1.963) 5.835 8.634 ( -0.749 -1.869 0.923) 2.214 8.673 ( -3.202 0.869 -1.561) 3.667 8.736 ( -0.637 -5.842 2.566) 6.412 8.826 ( 1.613 -3.306 -5.585) 6.687 8.908 ( 1.617 -1.865 -0.671) 2.558 9.060 ( -4.807 -2.940 -0.412) 5.650 9.149 ( -0.614 -0.934 -2.558) 2.792 9.320 ( 0.526 0.405 0.498) 0.830 9.370 ( -0.983 -2.348 2.526) 3.586 9.579 ( -3.178 0.189 -1.559) 3.545 9.586 ( -1.935 1.578 2.644) 3.637 9.689 ( -1.547 -0.585 1.552) 2.268 9.718 ( 1.406 -4.503 1.276) 4.887 9.975 ( 1.542 2.125 -0.057) 2.626 9.994 ( 1.147 3.564 0.583) 3.789 10.290 ( -4.430 4.184 -1.627) 6.307 10.331 ( -6.493 7.477 -3.257) 10.425 10.417 ( 2.508 8.401 -1.370) 8.873 10.456 ( 3.407 -0.688 1.259) 3.697 10.534 ( 1.225 4.968 0.211) 5.121 10.573 ( 1.116 1.776 -1.022) 2.333 10.622 ( 2.486 4.327 -0.736) 5.044 10.776 ( 4.169 1.902 1.455) 4.807 10.900 ( -2.579 7.444 -2.321) 8.213 11.043 ( 2.749 11.263 5.802) 12.964 11.159 ( -2.224 6.635 -0.347) 7.006 11.240 ( 0.700 5.762 0.672) 5.844 11.439 ( -3.179 -0.561 3.481) 4.747 11.546 ( 1.680 2.261 -0.943) 2.971 11.646 ( -1.385 0.711 0.850) 1.774 11.691 ( 0.871 0.638 -0.114) 1.085 11.846 ( 1.290 -3.548 0.524) 3.811 11.899 ( 4.367 -5.417 -2.549) 7.410 11.981 ( -0.701 -1.338 0.721) 1.674 12.019 ( -0.955 -0.248 -0.120) 0.994 12.222 ( -4.886 -0.527 1.851) 5.251 12.276 ( -0.052 0.544 -6.619) 6.642 12.524 ( -1.455 -4.980 1.152) 5.315 12.559 ( 0.580 -4.132 -1.664) 4.492 12.720 ( -4.470 -5.139 0.841) 6.863 12.855 ( 1.296 -3.174 -0.959) 3.560 13.130 ( -3.370 0.349 1.189) 3.591 13.194 ( 0.512 -0.862 -1.867) 2.120 13.659 ( -4.685 -18.102 2.883) 18.919 13.763 ( -0.111 -17.113 0.084) 17.113 16.153 ( -2.452 13.957 -1.779) 14.281 16.253 ( 0.738 17.468 5.069) 18.204 16.698 ( -4.464 5.256 2.271) 7.261 16.870 ( 2.774 13.118 -3.852) 13.950 17.421 ( -1.645 0.942 -0.767) 2.045 17.641 ( 5.293 6.687 3.526) 9.229 17.656 ( -2.917 -7.700 2.225) 8.529 17.728 ( 3.036 -3.605 2.539) 5.354 18.082 ( -0.019 0.310 -2.911) 2.928 18.170 ( -5.317 3.577 1.245) 6.528 18.199 ( 2.346 1.149 -5.593) 6.173 18.394 ( 1.064 -4.771 -2.538) 5.509 18.643 ( -3.805 2.100 -4.075) 5.957 18.778 ( -0.267 7.194 7.411) 10.332 18.877 ( -3.852 1.745 -3.590) 5.547 19.005 ( -6.538 5.764 2.909) 9.189 19.425 ( -17.427 -7.778 -2.490) 19.246 19.657 ( -12.721 1.225 -0.055) 12.779 20.059 ( 2.478 -1.935 -2.764) 4.186 20.291 ( 3.099 2.090 -0.053) 3.738 20.363 ( 6.960 -10.606 -0.095) 12.686 20.517 ( 5.059 -10.417 3.140) 11.999 20.639 ( 7.249 -3.922 -2.736) 8.684 20.723 ( 2.781 -1.855 1.440) 3.639 20.846 ( 3.700 -4.847 -1.004) 6.180 20.993 ( 1.677 -8.620 -2.301) 9.078 21.040 ( 0.624 -6.254 0.258) 6.290 21.184 ( 12.727 1.108 3.517) 13.250 21.388 ( -0.733 5.494 -5.081) 7.519 21.436 ( 6.403 0.299 6.609) 9.207 22.005 ( -3.088 23.963 -1.763) 24.225 22.039 ( -3.364 20.091 2.644) 20.542 22.247 ( -0.933 0.160 -7.283) 7.344 22.334 ( 1.064 -5.148 7.276) 8.977 23.210 ( -0.452 -1.367 0.381) 1.489 23.221 ( 0.196 -1.451 -0.344) 1.504 ======================= Grid point 99 (49/64) ======================= q-point: ( 0.33 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 13.089 9.153 -12.895) 20.528 1.238 ( 8.483 10.026 -15.726) 20.489 1.262 ( 8.392 5.116 0.576) 9.846 1.590 ( -9.091 3.789 1.286) 9.933 1.610 ( 3.018 16.723 -4.847) 17.671 1.697 ( -4.819 19.775 -8.374) 22.009 1.739 ( -7.128 -4.048 1.175) 8.281 1.959 ( 2.309 7.442 9.646) 12.400 2.003 ( -3.416 4.469 1.379) 5.791 2.045 ( -4.062 11.261 2.685) 12.269 2.126 ( -2.034 10.225 10.389) 14.718 2.237 ( -1.648 5.436 0.011) 5.681 2.300 ( -1.423 1.116 -1.358) 2.262 2.347 ( -1.140 4.360 0.369) 4.522 2.385 ( -0.539 6.923 -0.494) 6.961 2.414 ( -2.768 0.381 -0.033) 2.794 2.536 ( -2.646 1.775 -1.042) 3.353 2.554 ( -0.879 5.608 -1.369) 5.839 2.588 ( -3.967 -2.468 -2.214) 5.170 2.642 ( -7.189 -1.772 0.030) 7.404 2.753 ( -4.238 -2.773 -1.499) 5.282 2.839 ( -0.500 6.234 4.258) 7.566 2.859 ( 2.957 0.268 -5.543) 6.288 2.903 ( -1.273 0.079 0.752) 1.481 2.944 ( -3.364 -0.627 -6.205) 7.086 3.068 ( -2.194 1.906 -0.610) 2.970 3.079 ( 1.081 -0.344 -2.424) 2.676 3.115 ( -0.331 -4.965 1.085) 5.093 3.147 ( -0.802 5.661 -1.089) 5.820 3.267 ( 5.230 -0.465 5.344) 7.492 3.353 ( 1.811 11.741 0.363) 11.885 3.419 ( -1.929 3.027 -2.868) 4.594 3.461 ( -1.321 6.864 0.550) 7.012 3.499 ( -0.211 -1.033 2.155) 2.400 3.573 ( -0.964 5.027 -0.436) 5.137 3.660 ( 1.883 -0.364 0.380) 1.955 3.698 ( -2.588 12.299 2.711) 12.857 3.733 ( 3.611 6.246 2.260) 7.560 3.803 ( -2.372 4.161 0.410) 4.807 3.845 ( 0.001 4.678 -2.416) 5.265 3.936 ( -2.628 -0.667 -1.372) 3.038 3.990 ( 2.439 9.947 3.743) 10.904 4.002 ( -0.824 9.506 -1.947) 9.738 4.120 ( -0.212 7.935 1.128) 8.017 4.167 ( -1.283 2.467 1.600) 3.208 4.244 ( 0.998 4.083 0.829) 4.284 4.335 ( -2.196 0.235 1.661) 2.763 4.394 ( 1.570 5.850 3.460) 6.976 4.497 ( 0.169 5.111 -1.675) 5.381 4.528 ( -4.457 -0.999 -2.491) 5.203 4.663 ( 2.685 -1.984 5.454) 6.395 4.772 ( 0.252 5.317 0.616) 5.359 4.801 ( 0.096 -0.655 -3.313) 3.378 4.860 ( -1.992 -0.137 5.316) 5.679 4.897 ( 3.599 4.158 3.097) 6.312 4.944 ( 4.280 2.579 5.784) 7.644 5.012 ( 5.417 -4.339 1.745) 7.157 5.144 ( 1.288 -0.413 4.865) 5.050 5.308 ( 1.530 8.712 -1.432) 8.961 5.417 ( -0.932 -1.303 -2.477) 2.950 5.495 ( -0.531 -4.085 -1.567) 4.408 5.611 ( -0.386 -3.718 -4.059) 5.518 5.830 ( 3.123 -3.058 0.817) 4.447 5.856 ( -1.780 -1.588 -5.896) 6.360 5.963 ( -1.688 -0.137 -6.771) 6.979 6.094 ( 2.321 7.968 -2.285) 8.608 6.271 ( 3.212 -2.551 3.471) 5.373 6.339 ( 4.599 -3.730 -1.266) 6.055 6.439 ( 3.436 2.847 0.239) 4.468 6.482 ( 2.330 2.596 -2.842) 4.499 6.698 ( -3.778 0.124 2.949) 4.795 6.777 ( 1.339 0.303 -2.631) 2.967 6.812 ( -4.080 -2.840 2.901) 5.756 6.823 ( -2.253 -4.759 3.349) 6.240 6.953 ( 2.183 0.375 0.014) 2.215 6.999 ( -2.103 2.713 3.254) 4.730 7.185 ( -1.188 -2.662 6.049) 6.715 7.301 ( 1.902 1.662 -2.656) 3.665 7.554 ( -5.321 -3.148 -3.850) 7.284 7.633 ( -0.190 1.803 -3.483) 3.926 7.643 ( -1.808 -0.836 -1.524) 2.508 7.687 ( -2.470 0.642 -8.888) 9.247 8.008 ( -2.448 -5.139 2.237) 6.116 8.152 ( -0.468 -9.068 -0.320) 9.085 8.292 ( 1.121 -5.332 3.165) 6.301 8.334 ( 0.993 -4.875 3.849) 6.290 8.502 ( -0.366 -1.977 0.774) 2.154 8.600 ( -2.017 -1.174 -1.643) 2.854 8.632 ( -0.147 -1.471 2.467) 2.876 8.737 ( -0.223 -7.605 -1.906) 7.844 8.807 ( 2.336 -1.920 -5.347) 6.143 8.881 ( -2.590 -2.323 -3.002) 4.595 8.961 ( -1.649 -1.480 -2.926) 3.670 9.084 ( -2.919 1.360 -2.990) 4.394 9.368 ( 0.111 1.815 2.491) 3.084 9.377 ( 0.805 -0.045 1.923) 2.085 9.524 ( -2.288 3.961 2.243) 5.094 9.593 ( -2.488 8.119 4.581) 9.649 9.685 ( -0.138 -3.610 2.679) 4.498 9.772 ( 1.783 -7.072 2.555) 7.728 9.984 ( -0.030 1.909 -2.746) 3.345 10.054 ( 3.504 1.312 2.537) 4.520 10.130 ( -6.937 6.425 -6.230) 11.323 10.228 ( -2.144 1.042 -1.320) 2.724 10.446 ( 1.790 5.562 -1.449) 6.020 10.481 ( 0.790 5.168 -3.714) 6.413 10.553 ( -0.730 5.813 1.106) 5.962 10.582 ( 2.948 1.097 1.022) 3.307 10.700 ( 2.743 2.406 -0.061) 3.650 10.850 ( -0.712 6.853 -0.178) 6.892 10.868 ( 3.932 3.376 1.623) 5.431 11.080 ( -3.900 11.550 -0.613) 12.206 11.134 ( 1.688 8.445 -0.283) 8.617 11.237 ( -3.083 4.717 0.722) 5.682 11.470 ( 0.214 0.978 7.277) 7.346 11.585 ( 0.505 -1.360 4.321) 4.558 11.647 ( 1.033 2.151 0.637) 2.469 11.707 ( 1.796 0.870 -0.670) 2.105 11.869 ( 0.948 -3.163 -0.319) 3.317 11.910 ( -4.832 1.439 -4.251) 6.595 11.930 ( -2.049 -0.675 -0.114) 2.160 12.025 ( 5.385 -4.301 -1.225) 7.000 12.143 ( -3.789 -0.468 -2.895) 4.791 12.192 ( -0.346 0.538 -5.020) 5.061 12.513 ( -1.254 -4.754 1.156) 5.050 12.544 ( 0.752 -3.496 -2.537) 4.385 12.683 ( -1.634 -4.789 2.553) 5.668 12.835 ( -1.201 -1.267 -2.169) 2.784 13.089 ( -2.424 -1.177 1.391) 3.033 13.166 ( -0.157 -1.853 -3.162) 3.668 13.621 ( -2.890 -15.017 2.702) 15.530 13.732 ( -1.649 -13.938 -2.075) 14.188 16.140 ( 0.396 12.365 2.366) 12.596 16.287 ( -2.885 19.714 3.590) 20.245 16.663 ( -2.608 4.345 2.408) 5.611 16.806 ( -0.613 13.088 -8.143) 15.427 17.481 ( 4.137 -8.019 3.563) 9.701 17.599 ( -3.245 -10.196 1.761) 10.844 17.735 ( 0.576 -1.924 3.876) 4.366 17.847 ( 1.475 4.121 2.074) 4.844 17.980 ( -0.231 1.583 -2.447) 2.924 18.135 ( 1.036 6.792 -1.585) 7.051 18.259 ( 7.640 -0.552 -3.943) 8.615 18.397 ( 1.763 -3.529 0.293) 3.956 18.560 ( -2.701 1.056 -2.581) 3.883 18.767 ( -8.342 0.910 -1.685) 8.559 18.822 ( -1.640 6.007 3.225) 7.012 18.914 ( -0.455 5.470 4.400) 7.035 19.106 ( -12.590 -2.803 -3.782) 13.441 19.395 ( -15.774 2.123 -0.355) 15.920 20.139 ( 6.494 -5.965 1.685) 8.978 20.375 ( 6.051 -1.688 2.059) 6.611 20.469 ( 2.890 -14.641 -0.910) 14.951 20.626 ( 4.079 -12.035 0.142) 12.709 20.762 ( 3.804 -0.998 -2.696) 4.768 20.818 ( 3.894 -0.950 -1.094) 4.155 20.892 ( 7.124 -3.290 3.900) 8.763 21.018 ( 4.593 -4.342 -2.792) 6.910 21.046 ( -0.559 -3.349 1.181) 3.595 21.230 ( -3.560 6.173 0.577) 7.149 21.305 ( -0.324 5.482 -5.796) 7.984 21.704 ( 5.327 -4.185 -0.434) 6.788 21.909 ( -6.847 15.256 -0.663) 16.735 21.955 ( -2.362 24.767 0.636) 24.887 22.262 ( 4.984 2.109 2.784) 6.086 22.404 ( -1.093 -7.769 4.910) 9.255 23.206 ( -0.266 -1.448 0.288) 1.500 23.219 ( 0.020 -1.483 -0.284) 1.510 ======================= Grid point 100 (50/64) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -7.704 4.423 -6.649) 11.097 1.140 ( 3.542 6.530 -9.527) 12.081 1.312 ( -7.591 8.244 -2.375) 11.455 1.338 ( 1.745 6.646 -4.977) 8.485 1.611 ( 3.163 10.390 2.639) 11.177 1.643 ( -1.566 10.149 -1.356) 10.358 1.818 ( 7.796 7.924 10.436) 15.247 1.979 ( -0.982 4.984 -4.098) 6.527 2.066 ( 0.842 8.602 6.034) 10.541 2.154 ( -0.291 6.566 2.886) 7.178 2.187 ( 4.579 4.813 3.702) 7.606 2.217 ( -5.961 12.312 -1.604) 13.773 2.275 ( -1.815 1.385 4.116) 4.707 2.320 ( 2.918 3.160 0.401) 4.320 2.376 ( -0.495 0.084 1.557) 1.636 2.396 ( -1.156 2.908 -1.632) 3.529 2.439 ( 1.304 9.006 -3.800) 9.862 2.470 ( -4.825 0.753 -3.103) 5.785 2.528 ( 1.346 5.393 3.182) 6.405 2.658 ( 3.181 5.872 -2.382) 7.091 2.682 ( -0.328 1.264 -0.507) 1.401 2.757 ( -6.451 4.692 -5.690) 9.798 2.779 ( 2.028 5.631 -2.146) 6.358 2.817 ( -1.124 2.573 -5.238) 5.943 2.966 ( 0.671 -1.673 4.347) 4.706 3.012 ( -1.619 -2.810 -0.707) 3.319 3.034 ( 0.092 -4.335 -1.419) 4.562 3.079 ( 3.248 0.843 -5.425) 6.379 3.219 ( 1.635 -1.057 5.287) 5.634 3.300 ( -1.183 -1.056 -1.639) 2.281 3.412 ( -1.695 9.852 1.030) 10.050 3.416 ( 0.576 8.072 0.516) 8.109 3.498 ( 2.875 6.271 2.412) 7.308 3.518 ( 1.544 0.017 2.155) 2.651 3.571 ( 3.678 -1.200 -2.209) 4.455 3.599 ( -6.334 3.893 -1.607) 7.607 3.702 ( -2.959 4.973 2.962) 6.501 3.773 ( -2.413 2.177 -1.541) 3.596 3.783 ( 2.598 5.310 -2.366) 6.367 3.806 ( 3.092 7.901 -0.587) 8.504 3.930 ( -2.229 9.299 2.783) 9.959 3.989 ( 3.802 5.959 -2.460) 7.485 4.098 ( 0.231 8.523 4.121) 9.470 4.162 ( 0.844 4.238 1.143) 4.470 4.180 ( 0.882 8.149 0.415) 8.207 4.260 ( 1.099 3.529 -1.037) 3.839 4.321 ( 0.459 -5.050 2.698) 5.744 4.389 ( -0.948 -1.609 -3.050) 3.577 4.457 ( -1.158 6.280 2.099) 6.722 4.541 ( 1.316 3.882 -1.355) 4.317 4.699 ( -2.699 -2.504 3.234) 4.900 4.792 ( 0.483 0.827 -3.239) 3.377 4.817 ( 0.337 -0.708 9.344) 9.377 4.917 ( 0.722 -1.067 1.796) 2.210 5.004 ( 3.895 4.449 2.359) 6.367 5.040 ( -1.373 5.015 0.595) 5.234 5.120 ( 3.265 -3.000 4.473) 6.298 5.182 ( -0.595 0.509 0.261) 0.825 5.341 ( 0.640 1.500 1.955) 2.546 5.365 ( -0.101 1.421 -2.300) 2.706 5.466 ( -0.212 -0.087 -0.758) 0.792 5.526 ( -1.774 -1.777 -5.828) 6.346 5.764 ( -1.043 -6.437 -4.062) 7.683 5.771 ( -2.062 -5.231 -4.821) 7.407 5.970 ( 1.155 4.807 3.614) 6.123 6.047 ( -0.889 6.808 -4.940) 8.458 6.334 ( 0.085 -0.560 3.648) 3.692 6.424 ( 1.869 0.627 -3.794) 4.276 6.450 ( -1.229 0.295 1.028) 1.629 6.491 ( 0.723 0.848 -2.047) 2.331 6.675 ( -2.386 -3.876 4.112) 6.134 6.749 ( 2.039 -2.832 -3.639) 5.041 6.824 ( -1.581 -2.058 2.689) 3.737 6.828 ( 0.386 -4.156 3.731) 5.599 6.972 ( -2.625 0.846 3.877) 4.758 7.051 ( 4.722 0.790 -0.884) 4.868 7.223 ( -2.394 1.843 5.184) 6.001 7.284 ( -0.760 2.026 -2.179) 3.071 7.420 ( -4.410 2.435 -0.222) 5.043 7.557 ( 2.967 0.334 -10.772) 11.178 7.603 ( -0.357 1.744 -1.187) 2.140 7.618 ( 0.915 2.686 -2.501) 3.782 8.027 ( 0.538 -8.428 4.253) 9.455 8.105 ( -1.248 -9.201 -4.119) 10.158 8.333 ( -0.769 -3.789 4.343) 5.814 8.370 ( 0.324 -3.618 0.553) 3.674 8.555 ( 1.463 -6.170 3.594) 7.289 8.591 ( -0.142 -3.354 3.337) 4.733 8.630 ( -1.595 -4.739 -2.404) 5.548 8.714 ( 2.176 -2.347 -6.112) 6.899 8.774 ( -0.267 -4.639 -0.700) 4.699 8.794 ( -2.135 -3.145 -1.879) 4.240 8.961 ( 2.404 1.700 0.229) 2.953 8.993 ( -2.852 3.139 -2.848) 5.108 9.383 ( -0.489 -0.067 2.050) 2.108 9.408 ( 0.718 -1.882 -0.265) 2.032 9.555 ( -0.623 8.213 3.645) 9.007 9.590 ( 1.656 8.074 0.598) 8.264 9.777 ( 4.226 -1.298 6.041) 7.486 9.824 ( -0.864 -2.459 2.930) 3.921 9.920 ( -1.585 0.676 -4.113) 4.459 9.956 ( -3.252 3.887 -6.006) 7.858 10.143 ( 2.322 -0.863 2.834) 3.764 10.200 ( 0.374 -2.572 -2.483) 3.594 10.424 ( -1.706 6.603 -1.022) 6.896 10.453 ( 1.162 6.380 -4.028) 7.634 10.556 ( -1.519 5.271 3.232) 6.366 10.621 ( 2.344 4.909 -3.471) 6.453 10.739 ( 0.187 4.048 4.441) 6.011 10.823 ( -0.916 6.150 -3.442) 7.107 10.951 ( 0.621 8.909 2.193) 9.196 10.989 ( -2.014 10.628 -0.984) 10.862 11.170 ( 1.220 4.915 0.757) 5.121 11.177 ( -1.952 3.992 -0.345) 4.457 11.581 ( 0.749 1.318 9.211) 9.335 11.631 ( -0.014 -2.040 3.141) 3.745 11.668 ( 0.934 2.931 -0.706) 3.156 11.733 ( -4.128 5.912 -3.872) 8.185 11.795 ( 4.967 -1.951 0.599) 5.370 11.868 ( -0.452 -2.452 -2.138) 3.285 11.927 ( -0.594 -0.400 1.500) 1.663 12.017 ( -0.154 -0.290 -8.473) 8.480 12.117 ( -1.052 -2.285 0.112) 2.518 12.131 ( 1.525 -0.839 -1.564) 2.340 12.499 ( -2.226 -4.167 1.889) 5.088 12.540 ( 2.038 -3.975 -2.611) 5.174 12.708 ( -0.915 -3.754 4.520) 5.947 12.783 ( -0.098 -1.722 -3.466) 3.871 13.083 ( -0.556 -2.489 2.106) 3.308 13.130 ( 0.384 -1.923 -3.087) 3.657 13.620 ( -1.217 -13.008 3.729) 13.587 13.681 ( -0.552 -12.129 -2.761) 12.452 16.201 ( 0.489 13.820 4.362) 14.501 16.256 ( 0.387 15.424 -1.388) 15.491 16.643 ( -3.024 6.923 3.016) 8.135 16.735 ( 2.869 11.813 -7.159) 14.108 17.549 ( -2.418 -10.110 4.584) 11.361 17.606 ( 2.724 -11.734 -0.739) 12.068 17.791 ( 2.289 -2.344 2.331) 4.021 17.822 ( -3.051 1.505 -0.593) 3.453 18.006 ( 0.413 2.122 2.604) 3.384 18.084 ( -1.193 4.649 -4.968) 6.907 18.386 ( 1.110 -7.885 4.058) 8.937 18.451 ( 3.812 -0.918 -1.803) 4.316 18.521 ( 4.427 4.373 -0.262) 6.228 18.557 ( -9.221 -2.235 -4.666) 10.573 18.895 ( 2.950 10.388 6.482) 12.595 18.964 ( -1.172 6.727 -0.280) 6.834 19.044 ( 10.102 -0.159 1.183) 10.172 19.095 ( -11.128 2.673 -5.172) 12.559 20.301 ( 5.581 -10.000 5.790) 12.832 20.405 ( -5.481 -13.012 -5.210) 15.049 20.518 ( 3.590 -7.658 5.711) 10.205 20.627 ( -2.012 -10.206 -5.946) 11.982 20.762 ( -4.794 -0.014 2.032) 5.207 20.795 ( 2.782 1.062 -1.388) 3.285 21.010 ( -2.737 -4.370 1.729) 5.438 21.063 ( 3.971 -2.748 -3.735) 6.104 21.153 ( 0.128 3.782 3.344) 5.050 21.184 ( 2.870 2.562 -0.040) 3.848 21.339 ( 11.352 3.194 2.334) 12.022 21.458 ( -15.815 -0.903 -9.534) 18.488 21.931 ( 2.112 22.240 1.042) 22.365 21.937 ( -0.595 25.131 0.250) 25.140 22.393 ( 1.860 -8.015 3.014) 8.763 22.407 ( -0.527 -8.066 1.629) 8.246 23.206 ( -0.447 -1.561 0.579) 1.724 23.217 ( 0.355 -1.411 -0.548) 1.555 ======================= Grid point 101 (51/64) ======================= q-point: (-0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -15.416 12.217 5.335) 20.381 0.982 ( -17.476 5.950 9.594) 20.805 1.159 ( -2.637 1.361 5.453) 6.208 1.516 ( 1.622 23.820 4.053) 24.216 1.601 ( -3.552 21.911 -1.430) 22.243 1.732 ( 9.088 -1.636 0.785) 9.267 1.831 ( 0.241 4.852 -13.635) 14.475 1.976 ( 1.705 8.978 2.714) 9.533 2.101 ( 2.839 11.138 -2.306) 11.723 2.122 ( -3.799 2.651 -3.847) 6.022 2.166 ( -0.460 10.148 5.804) 11.700 2.267 ( 2.772 1.417 2.757) 4.159 2.284 ( 1.571 4.423 -1.940) 5.079 2.321 ( 2.918 8.093 -3.141) 9.158 2.394 ( 1.355 -0.605 -1.367) 2.018 2.421 ( 1.486 0.711 -0.563) 1.741 2.488 ( 7.021 4.830 4.685) 9.725 2.534 ( 7.388 -0.142 0.155) 7.391 2.593 ( -2.723 3.272 -1.170) 4.415 2.630 ( 4.482 0.776 -0.176) 4.552 2.717 ( 4.994 4.312 5.211) 8.408 2.766 ( 2.302 1.378 -1.366) 3.011 2.826 ( 4.085 0.569 4.573) 6.158 2.910 ( 8.833 5.391 -1.586) 10.469 2.939 ( -1.161 -1.695 -0.997) 2.284 3.017 ( 0.496 1.822 3.048) 3.586 3.087 ( 2.612 2.828 -2.371) 4.521 3.095 ( 4.977 -7.428 -1.490) 9.064 3.236 ( -1.561 -2.848 -6.319) 7.104 3.291 ( -2.625 3.574 3.679) 5.762 3.353 ( -0.704 -2.276 -1.054) 2.605 3.427 ( -3.521 9.559 1.632) 10.317 3.471 ( -2.981 0.761 -3.166) 4.415 3.480 ( 3.335 9.900 1.299) 10.527 3.621 ( -1.145 7.862 1.847) 8.156 3.629 ( 0.961 2.929 -1.386) 3.380 3.718 ( 5.092 -2.143 2.559) 6.089 3.744 ( -1.927 5.602 1.679) 6.157 3.783 ( 0.617 2.114 -1.901) 2.909 3.844 ( 2.796 7.833 -2.231) 8.611 3.927 ( -0.773 6.710 0.641) 6.784 4.013 ( -2.173 5.977 -1.576) 6.552 4.037 ( 0.376 10.496 -1.956) 10.684 4.137 ( -0.262 8.589 -1.071) 8.660 4.246 ( 0.846 0.530 -4.546) 4.655 4.291 ( 3.427 5.187 -1.457) 6.385 4.336 ( 0.745 0.094 -1.550) 1.722 4.390 ( 1.387 -0.704 3.187) 3.546 4.489 ( -0.686 9.296 -3.352) 9.906 4.495 ( -0.153 0.079 3.754) 3.757 4.735 ( -1.614 2.062 5.033) 5.673 4.744 ( -0.798 -3.158 -2.626) 4.184 4.841 ( -3.970 -1.394 -7.753) 8.822 4.900 ( -0.247 0.511 2.733) 2.791 4.947 ( -3.206 4.527 -1.854) 5.849 5.043 ( -2.689 4.160 -4.106) 6.434 5.074 ( -4.924 -2.543 -5.087) 7.523 5.183 ( -0.788 -1.103 0.725) 1.537 5.297 ( -1.664 6.153 -0.091) 6.374 5.402 ( 1.545 0.003 -1.020) 1.851 5.479 ( 1.049 -0.133 0.536) 1.186 5.527 ( 2.449 -0.044 3.631) 4.380 5.734 ( -0.626 -7.586 4.366) 8.775 5.770 ( 0.734 -4.474 3.919) 5.993 5.939 ( -3.788 1.825 -1.712) 4.540 6.071 ( 3.358 8.941 1.260) 9.634 6.312 ( -7.874 -2.256 0.780) 8.228 6.341 ( -4.294 -3.857 -1.705) 6.019 6.419 ( 0.489 1.777 0.208) 1.855 6.469 ( -1.662 3.112 -1.566) 3.860 6.695 ( -0.587 3.215 3.222) 4.589 6.764 ( 2.517 -4.035 -2.087) 5.194 6.842 ( 1.738 -3.930 -0.076) 4.298 6.886 ( 2.424 -2.807 0.475) 3.739 6.932 ( -4.101 -1.873 0.169) 4.512 7.069 ( 1.922 -0.671 -4.714) 5.134 7.195 ( -5.135 3.409 2.332) 6.590 7.291 ( 0.443 -1.366 5.071) 5.270 7.474 ( 3.757 5.302 8.455) 10.664 7.557 ( 6.349 -0.795 -4.253) 7.683 7.590 ( 0.443 2.210 0.543) 2.319 7.637 ( 2.361 2.555 -0.531) 3.519 8.054 ( 0.443 -6.858 -2.693) 7.381 8.110 ( 2.446 -10.678 3.956) 11.647 8.329 ( -3.003 -5.938 -0.163) 6.656 8.381 ( 1.154 -2.809 -0.653) 3.106 8.551 ( -2.007 -6.385 -3.363) 7.490 8.604 ( -1.311 -1.042 0.386) 1.719 8.622 ( 1.357 -5.790 3.355) 6.828 8.678 ( 0.718 -2.167 -1.774) 2.891 8.766 ( -0.334 -6.471 1.207) 6.591 8.830 ( 3.092 -2.817 2.480) 4.863 8.936 ( -0.243 2.177 -0.665) 2.289 9.028 ( 2.242 1.768 2.588) 3.853 9.386 ( -1.061 4.129 0.090) 4.264 9.415 ( 1.765 -3.864 -1.440) 4.485 9.543 ( -0.772 1.422 0.088) 1.621 9.677 ( 5.928 12.149 -2.911) 13.828 9.745 ( -2.858 0.304 -3.801) 4.766 9.840 ( -1.879 -2.701 -4.553) 5.617 9.926 ( 1.127 -0.184 2.627) 2.865 9.987 ( 6.362 3.098 8.824) 11.311 10.136 ( -2.141 -1.883 -6.084) 6.719 10.205 ( 2.798 1.382 1.194) 3.341 10.406 ( -1.357 5.839 2.104) 6.353 10.446 ( 0.852 6.165 0.074) 6.224 10.555 ( -2.666 3.818 2.162) 5.135 10.605 ( 0.812 4.993 -3.296) 6.038 10.730 ( -4.079 5.427 -2.849) 7.362 10.821 ( 2.827 6.912 2.886) 8.006 10.896 ( -4.167 4.881 -0.163) 6.420 11.051 ( 4.398 14.742 2.264) 15.549 11.131 ( -1.463 7.694 -0.146) 7.833 11.229 ( 2.281 3.318 1.416) 4.268 11.594 ( -1.846 2.133 -4.325) 5.163 11.646 ( -0.756 -1.347 2.850) 3.242 11.661 ( 0.809 -0.542 -2.520) 2.701 11.747 ( -2.792 -2.753 -6.931) 7.963 11.789 ( 5.258 8.900 5.842) 11.873 11.877 ( 1.521 -4.215 -0.298) 4.491 11.943 ( -0.780 -0.926 -0.258) 1.238 11.990 ( -1.742 -1.356 2.602) 3.412 12.049 ( 1.725 1.869 0.468) 2.586 12.183 ( 1.105 -2.197 0.115) 2.462 12.488 ( -1.104 -3.585 2.182) 4.339 12.549 ( 1.462 -4.180 -1.629) 4.719 12.709 ( -1.341 -1.601 1.004) 2.317 12.797 ( 2.246 -3.744 0.690) 4.421 13.108 ( 0.726 -2.042 1.791) 2.811 13.123 ( 1.804 -1.437 -1.200) 2.600 13.658 ( 1.014 -13.171 -0.253) 13.213 13.664 ( 0.349 -13.612 3.933) 14.173 16.176 ( -2.154 10.121 -0.953) 10.391 16.355 ( 9.098 20.865 -2.841) 22.939 16.656 ( -0.112 8.338 6.450) 10.542 16.733 ( 3.887 12.900 -4.720) 14.275 17.517 ( -4.192 -9.945 0.902) 10.830 17.639 ( 2.695 -11.060 -2.315) 11.617 17.774 ( 0.023 1.467 -0.610) 1.589 17.857 ( 1.507 -0.102 0.929) 1.773 18.000 ( -2.282 1.929 -3.831) 4.858 18.043 ( -1.678 4.475 5.961) 7.640 18.290 ( -7.972 0.236 -5.205) 9.524 18.379 ( -4.209 -3.618 1.707) 5.807 18.541 ( 4.330 -0.935 -0.520) 4.461 18.721 ( 10.335 0.004 3.217) 10.824 18.862 ( -5.501 1.934 -2.156) 6.217 18.989 ( 6.212 10.869 -2.758) 12.819 19.052 ( 9.277 3.832 1.849) 10.206 19.364 ( 18.000 0.973 2.642) 18.219 20.199 ( -9.188 -6.705 -4.742) 12.323 20.410 ( -4.220 0.178 3.275) 5.345 20.455 ( -5.152 -16.012 -4.037) 17.298 20.601 ( -0.787 -15.252 2.996) 15.563 20.701 ( -5.952 -1.845 2.751) 6.812 20.819 ( -0.782 0.948 0.002) 1.229 20.955 ( -3.997 -2.213 -1.543) 4.823 21.014 ( -7.900 -5.572 -3.806) 10.390 21.094 ( -1.371 -1.304 -4.087) 4.504 21.195 ( -2.065 5.815 3.803) 7.249 21.254 ( 3.208 5.756 0.017) 6.590 21.617 ( 6.344 -2.059 6.792) 9.519 21.932 ( 1.764 17.440 -1.959) 17.638 21.967 ( 1.991 23.043 -0.505) 23.135 22.329 ( -4.011 -2.922 -2.910) 5.753 22.466 ( 2.219 -7.377 -1.514) 7.851 23.203 ( -0.461 -1.887 0.574) 2.025 23.221 ( 0.513 -0.936 -0.352) 1.124 ======================= Grid point 102 (52/64) ======================= q-point: (-0.17 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -6.071 14.872 14.369) 21.552 0.972 ( -5.413 14.590 21.581) 26.607 1.136 ( -5.018 4.432 2.777) 7.248 1.417 ( -8.816 28.609 14.345) 33.196 1.642 ( -0.893 9.618 -1.373) 9.756 1.731 ( 0.033 13.934 1.399) 14.004 1.869 ( 3.535 3.919 -6.516) 8.385 2.036 ( 6.064 4.274 0.911) 7.475 2.096 ( 5.778 6.180 1.109) 8.533 2.128 ( 3.717 7.699 -5.149) 9.980 2.219 ( -0.003 7.120 3.893) 8.115 2.263 ( 2.649 8.010 -9.580) 12.765 2.329 ( 0.162 2.094 -2.967) 3.635 2.405 ( 3.124 0.671 1.765) 3.650 2.416 ( 2.237 3.053 1.431) 4.046 2.469 ( 4.575 0.500 -1.205) 4.758 2.541 ( 2.585 5.556 -3.123) 6.878 2.610 ( -0.660 -3.990 -0.979) 4.161 2.660 ( 3.941 2.832 2.945) 5.677 2.727 ( 4.959 -1.440 0.528) 5.190 2.760 ( 0.026 -1.486 0.162) 1.495 2.843 ( 5.075 0.588 1.893) 5.448 2.927 ( -0.270 -0.692 -0.679) 1.006 2.969 ( 2.415 3.268 -0.399) 4.083 2.973 ( 6.329 -0.607 -1.523) 6.538 3.052 ( -2.018 0.854 -1.623) 2.727 3.087 ( 1.863 0.459 -0.862) 2.103 3.121 ( -3.543 -5.248 -1.682) 6.552 3.156 ( -1.482 -0.055 -3.584) 3.879 3.172 ( -1.729 1.014 -3.398) 3.945 3.356 ( -0.002 7.455 -0.806) 7.499 3.415 ( -1.539 6.352 4.830) 8.127 3.484 ( 1.314 5.841 0.736) 6.032 3.550 ( -4.731 2.550 -2.221) 5.815 3.583 ( -0.124 -1.796 -5.332) 5.628 3.592 ( 1.677 3.134 0.227) 3.562 3.685 ( -2.070 4.783 -0.179) 5.214 3.757 ( 2.629 12.533 1.149) 12.857 3.811 ( -0.326 1.033 -0.983) 1.463 3.916 ( 2.683 6.801 -2.829) 7.840 3.930 ( 0.948 3.373 2.593) 4.359 3.947 ( -1.484 6.200 1.892) 6.650 4.069 ( 1.595 10.537 -4.990) 11.767 4.138 ( 1.247 0.077 2.537) 2.827 4.237 ( 0.445 3.539 -2.477) 4.343 4.251 ( 3.524 7.424 -0.958) 8.273 4.362 ( 0.714 9.710 -4.621) 10.777 4.404 ( 1.476 0.789 -0.973) 1.936 4.458 ( -0.076 9.301 5.122) 10.618 4.579 ( 1.257 2.456 2.118) 3.478 4.637 ( -1.118 1.986 -0.032) 2.279 4.745 ( -3.427 -1.051 -1.611) 3.930 4.766 ( -0.780 8.473 1.716) 8.680 4.867 ( -1.026 1.143 0.660) 1.671 4.900 ( -2.175 0.437 -2.987) 3.721 4.916 ( -6.930 -1.743 -5.349) 8.927 4.956 ( 2.901 -1.741 -6.142) 7.012 5.134 ( -2.398 -1.728 -2.903) 4.143 5.309 ( 1.593 7.919 0.819) 8.119 5.412 ( -0.466 1.361 0.463) 1.511 5.499 ( 0.912 -4.820 0.417) 4.924 5.573 ( -1.668 -4.221 3.057) 5.472 5.776 ( -1.228 -3.457 0.291) 3.680 5.830 ( -0.325 1.559 6.591) 6.781 5.910 ( -2.815 0.235 7.088) 7.630 6.062 ( -2.217 5.503 -5.071) 7.805 6.197 ( -4.058 -3.023 2.792) 5.779 6.282 ( -1.073 -3.102 -0.090) 3.284 6.412 ( -1.249 1.671 0.483) 2.141 6.453 ( 1.395 1.747 -1.336) 2.604 6.724 ( 0.122 9.269 1.565) 9.401 6.771 ( -0.528 -5.709 0.718) 5.778 6.852 ( -0.419 -2.218 -1.365) 2.638 6.879 ( 1.258 -1.704 -3.492) 4.085 6.926 ( 1.359 -2.015 0.979) 2.620 7.063 ( 2.137 0.010 -3.444) 4.054 7.138 ( -5.184 0.295 5.374) 7.473 7.328 ( 2.254 -5.643 -3.952) 7.248 7.609 ( 1.422 0.061 4.409) 4.633 7.629 ( 3.228 -1.563 2.060) 4.136 7.681 ( 2.314 1.471 1.141) 2.970 7.718 ( 6.316 -1.782 5.303) 8.437 8.062 ( 2.151 -4.473 -0.242) 4.969 8.166 ( 1.066 -9.521 -0.198) 9.582 8.243 ( -4.636 -7.241 -1.677) 8.760 8.355 ( -1.226 -2.776 -5.720) 6.475 8.518 ( 1.481 -4.371 1.201) 4.769 8.622 ( 1.681 -0.837 1.389) 2.335 8.676 ( 0.780 -1.437 -0.640) 1.756 8.706 ( 2.036 -4.586 5.881) 7.731 8.765 ( -0.258 -5.756 -0.351) 5.773 8.904 ( 1.203 -3.031 0.630) 3.322 8.984 ( 3.086 -4.160 5.382) 7.470 9.087 ( 0.314 0.579 3.809) 3.865 9.347 ( -1.448 6.345 -2.073) 6.830 9.431 ( 1.524 -6.765 -2.963) 7.541 9.550 ( 0.859 -1.300 1.452) 2.130 9.652 ( -0.012 4.549 -4.408) 6.334 9.741 ( 2.714 4.506 -3.249) 6.183 9.767 ( -0.851 -3.418 -3.842) 5.212 9.961 ( -0.327 1.815 2.108) 2.801 10.017 ( -2.917 0.536 -3.378) 4.496 10.213 ( 6.999 3.744 6.538) 10.283 10.294 ( 5.582 4.234 0.824) 7.054 10.391 ( -1.840 8.059 1.227) 8.357 10.462 ( -1.130 1.445 0.309) 1.860 10.526 ( -1.171 3.352 1.207) 3.750 10.579 ( -0.936 5.387 -1.577) 5.690 10.626 ( -3.829 5.147 -1.159) 6.518 10.815 ( -3.451 2.360 -1.679) 4.505 10.882 ( 2.361 6.551 -0.994) 7.034 11.099 ( -1.540 9.492 -0.231) 9.618 11.155 ( 2.983 8.820 -0.576) 9.329 11.285 ( 3.624 9.730 -1.865) 10.549 11.499 ( -3.108 -2.597 -5.173) 6.570 11.589 ( -1.350 1.477 -5.174) 5.548 11.662 ( 1.114 1.092 -0.657) 1.693 11.675 ( -0.681 0.406 1.123) 1.375 11.856 ( -1.810 -4.155 -0.558) 4.567 11.875 ( -2.881 -3.506 0.084) 4.538 11.984 ( 2.548 0.485 1.319) 2.910 11.997 ( 2.191 0.592 2.217) 3.173 12.151 ( 0.536 -0.218 5.411) 5.442 12.228 ( 6.176 -0.554 1.928) 6.494 12.511 ( 0.490 -2.843 2.059) 3.544 12.555 ( 0.834 -4.624 -0.992) 4.802 12.726 ( 2.510 -3.390 0.734) 4.282 12.829 ( -0.505 -4.147 1.338) 4.387 13.151 ( 0.735 -1.350 1.108) 1.895 13.155 ( 3.105 0.396 -0.070) 3.131 13.677 ( 1.490 -14.859 0.330) 14.937 13.742 ( 1.479 -20.354 3.616) 20.725 16.139 ( -0.602 10.279 -0.594) 10.313 16.417 ( 4.877 17.666 -10.575) 21.159 16.729 ( 2.861 7.934 -1.682) 8.600 16.811 ( 5.152 17.620 1.640) 18.431 17.425 ( -3.930 -3.939 -1.515) 5.767 17.643 ( 0.153 -6.533 -1.520) 6.710 17.784 ( -0.548 -4.303 -3.510) 5.580 17.835 ( -0.667 8.894 -11.194) 14.313 17.982 ( 1.842 3.788 5.393) 6.843 18.085 ( -1.799 6.637 5.777) 8.981 18.166 ( 4.055 3.751 2.072) 5.900 18.361 ( -1.452 -5.715 2.324) 6.338 18.598 ( 2.830 -1.465 0.563) 3.236 18.827 ( 1.040 1.504 1.675) 2.480 18.865 ( 2.600 3.017 -1.672) 4.319 19.094 ( 9.122 8.923 -5.544) 13.913 19.351 ( 18.890 -4.680 5.526) 20.230 19.648 ( 8.793 1.823 0.841) 9.019 20.035 ( -5.017 -1.640 -0.172) 5.281 20.275 ( -1.903 3.903 0.780) 4.412 20.373 ( -6.986 -11.613 -0.435) 13.559 20.556 ( -5.069 -13.367 -0.477) 14.304 20.593 ( -6.755 -7.133 1.625) 9.957 20.757 ( -2.183 -1.857 -2.118) 3.563 20.835 ( -5.784 -4.518 0.329) 7.347 20.959 ( -0.248 -6.432 0.979) 6.511 21.058 ( -1.018 -5.869 -1.318) 6.101 21.211 ( -6.362 4.475 0.976) 7.839 21.298 ( 0.104 5.574 3.235) 6.446 21.547 ( -10.005 -2.378 -4.601) 11.266 21.985 ( 1.856 19.753 0.931) 19.862 22.033 ( 4.686 4.519 4.006) 7.644 22.223 ( -0.962 17.614 -6.601) 18.835 22.450 ( 0.255 -5.599 -5.017) 7.522 23.206 ( -0.028 -1.876 0.654) 1.987 23.224 ( 0.294 -0.807 -0.456) 0.973 ======================= Grid point 103 (53/64) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -2.007 20.745 8.450) 22.489 1.326 ( 0.136 16.603 -1.950) 16.718 1.478 ( 0.387 14.529 17.413) 22.682 1.702 ( 0.326 12.656 -6.277) 14.131 1.947 ( 1.260 1.908 2.657) 3.505 2.022 ( 2.593 7.482 8.434) 11.569 2.051 ( 0.983 -1.001 -2.884) 3.207 2.105 ( -2.971 9.130 0.972) 9.650 2.188 ( 6.480 0.515 -0.524) 6.522 2.215 ( -5.182 1.100 -4.272) 6.805 2.229 ( -2.622 0.093 -1.030) 2.818 2.301 ( 1.386 0.849 -6.253) 6.461 2.419 ( 2.127 2.935 1.000) 3.760 2.445 ( -0.564 -1.861 -0.054) 1.946 2.514 ( 5.195 2.093 1.293) 5.748 2.535 ( -2.608 1.219 1.072) 3.072 2.571 ( -2.670 8.773 -0.210) 9.173 2.617 ( -1.559 0.223 -0.777) 1.756 2.651 ( -1.535 -1.992 2.851) 3.802 2.748 ( -1.218 -5.307 -4.300) 6.938 2.780 ( -2.594 -1.388 0.860) 3.065 2.788 ( 0.478 -3.544 -0.230) 3.584 2.875 ( -1.538 -6.814 -0.939) 7.049 2.911 ( -0.073 -6.720 -4.557) 8.120 2.962 ( 3.109 2.249 2.404) 4.528 3.044 ( 3.963 0.165 -3.389) 5.217 3.055 ( -0.715 1.869 0.402) 2.041 3.080 ( 1.229 3.134 -2.928) 4.462 3.224 ( -0.549 3.649 1.521) 3.991 3.253 ( 1.269 4.853 -2.278) 5.510 3.347 ( 3.741 4.152 0.590) 5.620 3.386 ( -4.134 6.991 -2.959) 8.644 3.540 ( 1.046 2.404 1.554) 3.048 3.590 ( -1.281 2.611 -3.446) 4.509 3.744 ( -4.287 6.271 6.805) 10.198 3.820 ( 4.978 10.072 0.307) 11.240 3.905 ( 0.417 6.421 2.666) 6.965 3.930 ( 1.893 8.260 -2.179) 8.750 3.976 ( -4.917 2.108 5.477) 7.656 4.048 ( 4.866 5.440 3.352) 8.032 4.078 ( 0.312 4.128 -2.548) 4.861 4.113 ( -5.498 6.798 2.190) 9.013 4.168 ( 2.345 9.327 -0.696) 9.643 4.215 ( 1.113 13.618 -1.781) 13.779 4.343 ( -0.506 4.023 -2.627) 4.832 4.370 ( -0.343 2.814 -4.352) 5.194 4.450 ( -0.642 0.105 0.869) 1.086 4.504 ( -0.671 3.239 -3.946) 5.149 4.612 ( 2.397 0.194 3.153) 3.965 4.648 ( -0.647 2.325 -1.582) 2.886 4.670 ( -3.104 9.369 2.636) 10.215 4.738 ( 1.748 2.832 -2.356) 4.077 4.807 ( -0.510 6.767 1.297) 6.909 4.889 ( 0.812 3.012 -6.307) 7.036 4.952 ( -0.368 4.438 1.128) 4.594 4.971 ( 1.632 3.553 1.339) 4.133 5.043 ( -6.362 7.225 -0.108) 9.627 5.089 ( 2.852 11.355 -5.134) 12.784 5.287 ( -0.353 -8.915 3.184) 9.473 5.322 ( -1.121 -10.253 -1.038) 10.367 5.448 ( 0.310 2.136 0.401) 2.195 5.479 ( 1.366 2.280 -2.723) 3.805 5.845 ( 0.076 0.245 1.399) 1.423 5.856 ( -0.394 1.010 0.335) 1.134 6.052 ( 1.112 1.843 4.081) 4.614 6.083 ( -0.365 2.662 0.024) 2.687 6.198 ( 1.054 3.270 4.041) 5.304 6.242 ( 1.606 0.549 -1.257) 2.112 6.408 ( -2.911 2.430 2.140) 4.354 6.464 ( 1.638 0.186 -3.055) 3.471 6.619 ( -0.387 -8.109 3.824) 8.973 6.725 ( -0.223 -4.982 -7.009) 8.602 6.837 ( -0.551 -2.031 0.590) 2.186 6.848 ( 0.641 -2.845 -0.796) 3.023 6.973 ( -0.869 2.504 7.360) 7.823 7.088 ( -0.076 5.665 -3.163) 6.489 7.136 ( -2.050 3.063 2.588) 4.504 7.241 ( 3.107 -1.697 -7.657) 8.436 7.634 ( -0.037 -2.286 1.960) 3.011 7.655 ( 0.104 -4.500 0.102) 4.502 7.674 ( 1.346 -2.908 3.076) 4.442 7.727 ( -1.929 -0.691 -2.583) 3.297 8.020 ( -0.037 -3.273 2.187) 3.937 8.047 ( -0.064 -5.888 -0.712) 5.931 8.119 ( 2.567 0.096 2.782) 3.786 8.186 ( -1.723 -4.123 -3.881) 5.919 8.386 ( 1.512 -11.878 2.162) 12.167 8.426 ( -1.829 -12.279 -2.080) 12.588 8.654 ( -2.583 -6.285 5.081) 8.484 8.711 ( 3.576 -4.101 0.018) 5.441 8.809 ( -0.229 -1.335 1.085) 1.736 8.839 ( 1.556 2.589 -1.234) 3.263 8.981 ( 0.160 -5.724 7.303) 9.280 9.097 ( 0.280 -3.235 -3.070) 4.469 9.258 ( -1.101 -5.266 3.198) 6.259 9.337 ( 0.304 -3.956 -3.932) 5.586 9.531 ( -0.314 1.302 1.740) 2.196 9.610 ( -1.392 -0.254 -6.560) 6.711 9.760 ( -0.227 5.335 0.872) 5.410 9.815 ( -0.802 5.596 -4.552) 7.258 10.077 ( 0.680 7.218 2.023) 7.527 10.099 ( -0.475 7.424 -0.055) 7.440 10.357 ( 0.902 -0.187 3.447) 3.568 10.392 ( 2.743 -1.594 0.739) 3.257 10.484 ( 1.665 3.111 1.194) 3.725 10.527 ( -2.852 1.352 -2.241) 3.871 10.657 ( -1.017 8.454 0.673) 8.541 10.680 ( 0.852 11.290 -1.971) 11.493 10.774 ( -0.771 6.512 0.112) 6.559 10.826 ( 1.860 7.113 -5.278) 9.051 11.088 ( 1.432 8.071 5.380) 9.805 11.180 ( -1.596 5.278 -2.900) 6.230 11.295 ( -0.840 6.415 1.805) 6.716 11.349 ( -2.916 2.721 -3.395) 5.237 11.454 ( -2.573 -1.010 2.786) 3.924 11.554 ( 4.312 0.010 -6.477) 7.781 11.672 ( -0.968 -0.633 2.126) 2.421 11.704 ( 1.353 0.062 -0.905) 1.629 11.727 ( -0.036 -2.785 1.456) 3.143 11.775 ( 0.042 -3.966 -3.237) 5.120 11.942 ( -2.519 -5.520 1.940) 6.370 11.981 ( 1.230 -3.185 -2.255) 4.092 12.225 ( -0.463 0.630 7.952) 7.991 12.338 ( 0.357 0.829 -3.181) 3.306 12.429 ( 1.321 -6.743 -0.035) 6.871 12.459 ( 0.273 -0.713 -2.641) 2.749 12.728 ( -0.852 -2.879 1.300) 3.271 12.738 ( 1.129 -1.005 0.329) 1.547 13.130 ( -0.718 -3.188 2.844) 4.332 13.170 ( 1.020 -2.535 -1.519) 3.126 13.314 ( -3.924 -18.443 3.463) 19.171 13.374 ( 2.521 -17.990 -2.669) 18.361 16.400 ( 0.952 10.143 5.445) 11.551 16.519 ( -1.955 6.808 -6.788) 9.810 16.852 ( -1.366 0.320 0.970) 1.706 16.907 ( 1.840 -1.811 -4.666) 5.333 17.564 ( 4.330 1.565 3.290) 5.659 17.574 ( -1.826 -2.568 0.724) 3.233 17.679 ( -2.930 5.895 1.883) 6.847 17.799 ( 0.856 3.257 -8.745) 9.371 18.110 ( -1.413 5.175 4.895) 7.262 18.188 ( -0.475 3.419 -3.435) 4.869 18.277 ( -5.085 4.112 4.415) 7.890 18.364 ( 5.401 3.569 -4.839) 8.082 18.765 ( 2.575 3.184 7.434) 8.487 18.878 ( -2.585 3.324 -4.044) 5.838 19.010 ( 2.803 4.203 4.974) 7.090 19.166 ( -1.577 3.281 -11.431) 11.996 19.555 ( -0.671 -7.691 3.936) 8.666 19.621 ( 2.890 -7.564 -3.285) 8.738 20.063 ( 6.544 1.517 2.023) 7.015 20.096 ( -8.728 -2.074 -0.936) 9.020 20.346 ( -3.702 -1.305 0.403) 3.946 20.356 ( 3.893 -0.858 -0.666) 4.042 20.510 ( 11.960 -4.414 5.671) 13.952 20.604 ( -12.126 -5.219 -4.704) 14.014 20.724 ( 1.538 -4.514 1.713) 5.067 20.744 ( 0.171 -3.189 -0.224) 3.202 20.922 ( 0.632 -5.435 -0.633) 5.508 20.947 ( -1.951 -5.532 -3.332) 6.746 21.485 ( -0.811 7.825 5.959) 9.869 21.577 ( 1.094 8.007 -3.950) 8.995 22.072 ( 0.495 -6.197 8.768) 10.748 22.218 ( -0.835 -6.840 -7.103) 9.896 22.484 ( 0.814 18.603 3.031) 18.865 22.565 ( -0.674 18.288 -6.032) 19.269 23.157 ( -0.259 -4.079 1.281) 4.283 23.180 ( 0.098 -3.361 -1.272) 3.595 ======================= Grid point 104 (54/64) ======================= q-point: ( 0.17 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.829 15.933 3.732) 16.385 1.301 ( 1.200 16.801 -1.842) 16.945 1.604 ( 1.316 13.946 -14.144) 19.907 1.675 ( 3.176 9.891 10.118) 14.502 1.901 ( -6.907 3.414 -7.186) 10.536 2.005 ( -0.605 0.665 5.180) 5.258 2.036 ( -1.018 6.179 -1.956) 6.561 2.053 ( -6.066 5.236 -2.284) 8.332 2.184 ( -1.503 2.677 -1.537) 3.434 2.193 ( -2.659 2.329 -0.399) 3.557 2.216 ( -0.884 1.107 4.887) 5.088 2.284 ( -1.011 1.507 0.456) 1.871 2.370 ( -1.743 7.296 -2.357) 7.863 2.417 ( -1.225 -3.734 1.696) 4.280 2.491 ( -1.011 0.492 -1.345) 1.753 2.545 ( -3.202 2.416 0.943) 4.121 2.597 ( -5.191 -0.608 -3.224) 6.141 2.606 ( 0.512 2.573 -0.687) 2.712 2.647 ( -7.231 0.649 4.976) 8.802 2.668 ( -3.093 -4.712 1.915) 5.953 2.702 ( 5.103 -0.293 3.348) 6.110 2.780 ( -4.229 -2.901 1.346) 5.302 2.841 ( -0.545 -5.626 3.224) 6.507 2.921 ( 2.169 -6.549 -1.255) 7.012 2.995 ( 1.676 1.811 -1.833) 3.074 3.033 ( 0.713 5.110 -2.695) 5.821 3.084 ( 3.043 -1.726 -4.040) 5.344 3.151 ( -3.688 0.566 0.523) 3.768 3.184 ( 4.592 7.784 -1.962) 9.248 3.279 ( 3.954 6.769 -2.016) 8.094 3.300 ( 3.468 0.075 0.950) 3.597 3.497 ( 3.077 4.822 0.599) 5.752 3.532 ( -2.011 1.590 -2.215) 3.388 3.613 ( 4.268 4.435 2.860) 6.787 3.709 ( -7.501 4.855 1.930) 9.141 3.820 ( -0.884 5.837 1.587) 6.113 3.880 ( 3.514 7.687 -4.040) 9.368 3.909 ( -6.278 6.722 -0.185) 9.200 3.952 ( -1.099 5.394 -1.854) 5.809 4.034 ( -1.278 8.067 3.614) 8.931 4.091 ( 1.823 7.092 1.135) 7.410 4.113 ( -3.714 10.746 -1.978) 11.540 4.202 ( 3.025 1.778 -2.532) 4.327 4.223 ( 1.737 15.962 -1.961) 16.176 4.310 ( -2.563 3.753 1.861) 4.911 4.386 ( 1.388 3.716 -0.042) 3.967 4.425 ( -4.848 1.420 -0.274) 5.060 4.474 ( 2.211 3.642 3.601) 5.579 4.575 ( -3.440 5.346 -1.386) 6.506 4.647 ( -0.124 9.143 1.355) 9.244 4.665 ( 0.025 3.420 1.131) 3.602 4.774 ( 1.648 -1.287 -0.037) 2.091 4.822 ( -0.584 1.878 0.670) 2.078 4.842 ( 0.359 2.980 0.005) 3.002 4.918 ( -2.362 4.516 -1.177) 5.231 4.969 ( -2.217 12.614 3.470) 13.269 5.019 ( 0.807 1.309 4.155) 4.431 5.147 ( 4.187 10.843 -0.740) 11.647 5.296 ( -0.339 -10.588 -0.563) 10.608 5.362 ( 4.067 -12.468 3.075) 13.470 5.447 ( -0.737 2.486 -0.170) 2.599 5.460 ( 0.673 4.166 -2.561) 4.936 5.822 ( 0.240 -0.293 -0.724) 0.817 5.983 ( 9.015 -0.675 -0.249) 9.044 6.032 ( -2.442 2.979 -2.084) 4.379 6.080 ( -0.672 1.128 -0.960) 1.626 6.210 ( -0.352 0.534 -1.832) 1.940 6.277 ( 4.111 3.609 -2.497) 6.014 6.421 ( 0.311 0.672 3.207) 3.292 6.474 ( 2.227 0.995 -1.215) 2.725 6.647 ( -1.300 -6.418 -5.224) 8.377 6.667 ( -1.244 -7.151 6.763) 9.921 6.796 ( -3.628 -4.242 -0.199) 5.586 6.835 ( -1.644 -0.428 0.279) 1.721 7.041 ( -0.004 4.201 -0.440) 4.224 7.068 ( 1.836 5.251 2.362) 6.044 7.121 ( -1.369 3.540 1.579) 4.110 7.251 ( 4.738 -2.474 -3.092) 6.176 7.596 ( -4.683 -3.718 -0.906) 6.047 7.635 ( -1.230 -1.363 0.867) 2.030 7.696 ( 0.809 -0.654 -2.431) 2.644 7.731 ( 0.376 -2.548 2.433) 3.543 7.971 ( -3.315 -4.062 -0.823) 5.308 8.082 ( -1.583 -1.659 -0.780) 2.422 8.108 ( 1.936 -5.476 -2.531) 6.336 8.187 ( 0.506 -2.535 2.956) 3.927 8.383 ( 0.065 -10.258 -1.581) 10.380 8.447 ( 1.764 -13.487 1.834) 13.725 8.642 ( -2.915 -4.459 2.216) 5.770 8.703 ( -5.110 -0.049 -1.593) 5.353 8.757 ( 2.998 -3.809 -3.762) 6.136 8.897 ( 1.770 -0.855 -2.531) 3.204 8.974 ( -3.015 -3.458 -1.679) 4.885 9.104 ( 1.845 -3.801 -0.102) 4.226 9.288 ( -0.632 -5.320 0.442) 5.375 9.299 ( -0.328 -4.486 1.025) 4.613 9.553 ( 0.908 0.532 -1.890) 2.163 9.584 ( 0.520 1.711 6.703) 6.937 9.740 ( -2.639 5.348 0.137) 5.965 9.777 ( -1.886 5.245 2.541) 6.126 10.085 ( 0.665 7.585 -1.182) 7.706 10.113 ( 1.219 7.041 0.238) 7.150 10.331 ( -3.286 0.534 -2.837) 4.374 10.399 ( -0.892 -0.133 -4.619) 4.706 10.495 ( 2.816 3.257 0.796) 4.379 10.576 ( 2.536 1.028 0.168) 2.742 10.625 ( -0.777 10.386 1.485) 10.520 10.684 ( -0.058 8.004 0.378) 8.014 10.761 ( -0.892 10.148 0.630) 10.207 10.839 ( 3.868 3.944 -1.026) 5.619 11.052 ( -3.326 6.385 -1.971) 7.465 11.223 ( 1.966 5.386 1.764) 5.999 11.286 ( -2.029 6.032 2.997) 7.035 11.336 ( -0.136 4.784 3.823) 6.126 11.430 ( -1.110 0.051 1.923) 2.221 11.570 ( 1.547 -0.176 -3.512) 3.842 11.670 ( 0.097 -2.178 -0.706) 2.291 11.689 ( -0.710 -0.275 0.445) 0.881 11.756 ( 2.690 -2.371 -0.354) 3.603 11.798 ( 3.491 -3.527 -0.153) 4.965 11.934 ( -1.456 -4.111 2.698) 5.129 11.994 ( 1.416 -3.396 -0.315) 3.693 12.246 ( -4.228 2.952 0.241) 5.163 12.288 ( -0.858 -1.199 -1.474) 2.085 12.410 ( -1.194 -3.309 -2.481) 4.305 12.447 ( -0.144 -5.086 0.060) 5.089 12.672 ( -3.473 -0.546 0.027) 3.516 12.781 ( 1.359 -3.726 -0.669) 4.022 13.102 ( -4.408 -4.109 1.424) 6.192 13.154 ( -0.399 -2.900 -1.939) 3.511 13.308 ( -1.710 -14.992 3.756) 15.550 13.398 ( 2.810 -18.633 -1.980) 18.947 16.410 ( -1.243 10.679 -2.938) 11.145 16.523 ( 3.239 8.702 5.344) 10.713 16.775 ( -5.477 1.956 1.170) 5.933 16.953 ( 3.934 -3.708 -1.739) 5.679 17.472 ( -5.281 -1.117 -1.639) 5.641 17.622 ( -2.881 5.526 -3.568) 7.182 17.672 ( -1.249 2.354 4.497) 5.227 17.793 ( 5.009 4.281 1.878) 6.851 18.126 ( -2.410 4.630 2.252) 5.684 18.198 ( -3.605 -0.364 0.875) 3.728 18.228 ( 2.784 3.286 0.106) 4.308 18.394 ( 3.545 5.611 -2.522) 7.100 18.722 ( -6.251 5.197 -8.262) 11.591 18.864 ( -0.403 2.234 5.509) 5.959 18.951 ( -3.377 4.639 -1.988) 6.073 19.156 ( -0.678 5.737 3.994) 7.023 19.280 ( -20.844 -4.321 -1.594) 21.347 19.595 ( -7.441 -7.187 -0.615) 10.363 19.964 ( -3.687 -7.623 -1.013) 8.528 20.123 ( -7.207 -10.387 0.307) 12.646 20.366 ( 6.395 1.254 0.627) 6.547 20.378 ( 5.315 0.963 0.051) 5.402 20.616 ( 14.753 0.192 -4.595) 15.453 20.701 ( 3.436 -0.587 1.188) 3.683 20.746 ( 2.221 -3.996 2.351) 5.141 20.858 ( 5.148 -5.738 -1.933) 7.947 20.944 ( 2.592 -4.926 -0.475) 5.586 21.113 ( 18.977 -7.856 4.622) 21.052 21.508 ( -2.954 7.384 4.886) 9.334 21.521 ( -1.166 7.580 -5.521) 9.450 22.091 ( -3.745 -5.904 -7.558) 10.296 22.162 ( -1.063 -8.176 7.757) 11.320 22.481 ( -2.092 19.735 -3.516) 20.155 22.523 ( -1.087 18.343 3.761) 18.756 23.161 ( -0.588 -3.810 0.407) 3.876 23.170 ( -0.056 -3.901 -0.101) 3.902 ======================= Grid point 105 (55/64) ======================= q-point: ( 0.33 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 8.482 13.283 -8.184) 17.759 1.381 ( -0.871 8.197 1.013) 8.305 1.451 ( 2.938 13.164 -14.725) 19.969 1.708 ( -6.692 7.727 -3.643) 10.852 1.730 ( -6.024 4.143 2.129) 7.615 1.964 ( -1.995 9.717 -0.524) 9.933 2.015 ( -3.794 9.652 -2.475) 10.662 2.028 ( -0.891 2.050 2.283) 3.195 2.094 ( 0.512 5.710 7.547) 9.477 2.180 ( -0.297 -0.601 3.098) 3.170 2.225 ( -4.937 -2.478 3.896) 6.760 2.276 ( -1.619 1.589 -0.134) 2.272 2.328 ( -0.999 1.840 1.060) 2.347 2.402 ( -1.769 3.896 -1.499) 4.534 2.455 ( 0.853 0.611 -4.979) 5.088 2.485 ( -4.275 -2.313 3.926) 6.248 2.535 ( -4.096 6.506 -0.488) 7.704 2.559 ( -1.899 -3.770 0.556) 4.258 2.593 ( -2.139 4.209 4.933) 6.828 2.664 ( -2.394 -2.458 0.584) 3.480 2.739 ( 0.381 1.970 3.791) 4.290 2.812 ( 3.434 0.294 -2.019) 3.994 2.868 ( -0.220 -5.102 1.672) 5.374 2.928 ( -0.923 -5.854 -0.582) 5.955 2.975 ( 0.958 -0.025 -6.054) 6.129 3.006 ( 0.581 0.498 -0.939) 1.211 3.057 ( 0.694 5.193 -5.323) 7.469 3.106 ( -0.740 1.894 -0.921) 2.232 3.261 ( 6.257 -1.460 -0.905) 6.489 3.317 ( -0.306 6.863 -1.190) 6.972 3.368 ( -3.215 -1.039 -4.006) 5.241 3.438 ( 0.859 1.143 -0.967) 1.726 3.531 ( -0.496 2.940 4.760) 5.617 3.626 ( -1.369 2.941 2.089) 3.858 3.738 ( 3.266 10.913 2.605) 11.686 3.795 ( -4.009 5.969 -0.422) 7.203 3.814 ( -0.544 3.432 -6.020) 6.951 3.851 ( -0.886 1.886 0.282) 2.103 3.988 ( -3.731 12.540 -1.716) 13.195 4.032 ( -0.673 8.376 -0.152) 8.404 4.042 ( 2.405 11.728 2.998) 12.342 4.122 ( 0.326 5.259 1.825) 5.576 4.216 ( 2.404 3.441 -0.701) 4.256 4.232 ( 2.787 12.452 -2.220) 12.952 4.296 ( -5.258 5.478 -1.430) 7.726 4.351 ( 2.685 5.675 3.885) 7.383 4.403 ( -0.401 8.643 1.649) 8.808 4.484 ( -3.374 8.118 0.934) 8.841 4.603 ( 3.185 -1.923 2.181) 4.313 4.636 ( -3.195 9.402 -2.039) 10.137 4.672 ( 0.419 7.258 2.256) 7.613 4.741 ( -1.747 -3.572 -1.267) 4.174 4.854 ( -0.288 4.091 3.105) 5.144 4.901 ( 2.669 -1.467 2.796) 4.134 4.943 ( 2.176 4.764 4.337) 6.800 4.990 ( -0.421 12.540 8.270) 15.027 5.094 ( 0.161 -2.335 4.162) 4.775 5.187 ( 1.389 9.638 -0.449) 9.748 5.299 ( 0.901 -9.096 1.276) 9.230 5.408 ( -1.682 0.264 -1.922) 2.568 5.456 ( 1.677 3.558 -2.625) 4.729 5.484 ( 3.728 -7.625 3.916) 9.348 5.764 ( -2.076 -3.519 -8.500) 9.431 5.920 ( -3.661 3.703 -8.039) 9.578 6.053 ( 3.543 3.854 -1.523) 5.452 6.156 ( 3.492 -0.141 -0.462) 3.525 6.210 ( 3.956 -1.397 2.453) 4.860 6.332 ( 4.729 3.593 -2.401) 6.406 6.479 ( 0.137 -1.423 -1.224) 1.882 6.491 ( 2.994 0.349 2.665) 4.023 6.537 ( -5.256 -9.260 -3.415) 11.182 6.703 ( -3.505 -6.049 5.862) 9.123 6.728 ( -2.819 -5.687 -0.834) 6.401 6.794 ( -2.481 -0.394 -0.872) 2.659 7.005 ( -0.303 1.788 -1.622) 2.433 7.122 ( 3.404 8.114 -2.672) 9.195 7.186 ( 1.839 1.631 6.582) 7.026 7.319 ( 3.384 -0.316 0.741) 3.479 7.503 ( -4.166 -1.812 0.120) 4.544 7.619 ( -0.840 0.466 -0.737) 1.211 7.677 ( 0.802 0.044 -3.325) 3.420 7.719 ( -2.909 3.402 0.238) 4.482 7.902 ( -2.171 -4.587 -2.094) 5.490 8.004 ( -1.772 -4.944 -4.351) 6.820 8.170 ( 2.164 -5.233 3.044) 6.429 8.217 ( 0.055 -6.195 2.728) 6.769 8.387 ( 1.366 -7.783 -0.775) 7.940 8.470 ( -0.785 -11.969 0.668) 12.013 8.599 ( -3.791 -3.127 -0.064) 4.915 8.641 ( -0.259 -0.187 1.249) 1.289 8.739 ( 2.768 -5.723 -8.680) 10.759 8.825 ( -2.974 -4.262 -4.588) 6.933 8.957 ( 1.412 1.818 -0.487) 2.353 9.094 ( -1.093 -0.898 -2.464) 2.841 9.270 ( -0.228 -7.133 -0.568) 7.160 9.301 ( -2.135 -7.312 1.444) 7.753 9.590 ( 2.719 3.861 1.474) 4.947 9.671 ( -2.278 3.891 8.043) 9.221 9.736 ( 1.102 4.055 4.002) 5.803 9.786 ( -1.307 3.258 5.975) 6.930 10.077 ( 0.230 6.909 -3.402) 7.704 10.140 ( 2.641 5.909 -0.905) 6.535 10.217 ( -3.370 2.294 -6.470) 7.647 10.298 ( -3.345 3.682 -4.120) 6.459 10.554 ( 1.696 4.741 0.447) 5.055 10.583 ( 1.238 4.495 -2.231) 5.169 10.642 ( 0.239 4.723 0.729) 4.785 10.704 ( 0.992 10.019 2.097) 10.284 10.784 ( 0.423 7.876 2.707) 8.339 10.923 ( 4.897 2.434 1.535) 5.680 11.007 ( -0.906 7.133 0.030) 7.191 11.241 ( 0.220 2.062 0.951) 2.282 11.282 ( -1.598 5.660 1.643) 6.107 11.315 ( -5.658 7.194 -0.531) 9.168 11.497 ( 3.317 0.455 3.706) 4.995 11.551 ( -1.602 -1.573 3.200) 3.908 11.675 ( 1.163 -2.697 -1.836) 3.464 11.711 ( 2.129 -0.065 1.032) 2.366 11.814 ( 3.697 -0.356 0.026) 3.714 11.868 ( 3.484 -3.280 0.670) 4.831 11.945 ( 0.116 -3.965 1.955) 4.422 11.987 ( -3.357 1.475 0.499) 3.701 12.160 ( -4.009 2.946 -0.395) 4.991 12.217 ( -1.097 2.242 -6.787) 7.231 12.379 ( -1.183 -6.644 0.201) 6.752 12.432 ( -0.154 -7.110 -1.978) 7.381 12.632 ( -1.688 -0.841 1.807) 2.612 12.769 ( -0.687 -4.893 -2.168) 5.396 13.042 ( -3.833 -4.034 1.868) 5.869 13.111 ( -0.464 -3.393 -3.591) 4.962 13.324 ( -1.123 -12.952 3.300) 13.413 13.414 ( 1.405 -16.772 -2.232) 16.978 16.399 ( 2.107 11.934 -0.038) 12.119 16.603 ( -1.471 10.284 1.745) 10.535 16.729 ( -2.825 1.248 5.890) 6.651 16.958 ( 0.911 -1.742 -5.381) 5.729 17.403 ( -1.527 0.231 1.160) 1.931 17.513 ( -4.748 5.676 -0.416) 7.412 17.722 ( 0.183 1.102 5.052) 5.174 17.897 ( 4.079 -0.295 0.292) 4.100 18.016 ( -5.517 3.122 -2.592) 6.849 18.192 ( -1.531 0.703 3.490) 3.876 18.266 ( 3.758 1.411 -7.948) 8.905 18.410 ( -0.573 0.476 -2.528) 2.635 18.599 ( 2.683 5.751 -2.637) 6.872 18.868 ( -11.026 8.015 -1.708) 13.738 18.890 ( 2.515 3.066 -0.177) 3.969 19.009 ( -3.803 -1.126 4.899) 6.303 19.117 ( -7.677 8.223 4.421) 12.087 19.409 ( -12.056 -1.350 -0.740) 12.154 19.929 ( 0.111 -14.696 0.222) 14.698 20.007 ( -2.412 -21.189 -1.130) 21.356 20.477 ( 6.171 -1.088 -1.341) 6.408 20.521 ( 4.640 4.154 2.101) 6.572 20.743 ( 5.219 -0.600 -1.810) 5.556 20.795 ( -0.894 -0.869 3.159) 3.396 20.858 ( 9.657 -0.832 1.844) 9.866 20.953 ( 8.736 -1.976 -3.525) 9.626 21.003 ( 3.925 -1.695 1.881) 4.671 21.354 ( -0.384 3.129 0.008) 3.153 21.431 ( -0.941 7.242 -5.357) 9.057 21.575 ( 3.410 -4.962 3.272) 6.852 21.954 ( 0.005 -5.662 -3.768) 6.801 22.199 ( -3.930 -11.757 5.234) 13.457 22.428 ( -0.337 21.813 -1.017) 21.839 22.521 ( -2.920 17.792 2.116) 18.154 23.155 ( -0.098 -4.059 0.002) 4.060 23.168 ( -0.532 -3.975 0.364) 4.027 ======================= Grid point 106 (56/64) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -8.133 8.574 0.461) 11.827 1.329 ( -0.195 10.777 -7.364) 13.055 1.433 ( -14.929 11.101 -3.497) 18.930 1.452 ( 15.048 10.558 -4.130) 18.841 1.813 ( 5.104 5.657 7.250) 10.518 1.902 ( -2.455 8.150 -2.586) 8.896 1.989 ( 0.432 3.223 2.589) 4.156 2.056 ( 0.564 1.902 -3.438) 3.969 2.180 ( 2.229 -1.489 2.036) 3.366 2.197 ( -0.251 4.714 4.395) 6.449 2.228 ( -0.426 -2.883 0.082) 2.916 2.265 ( 1.972 2.233 6.226) 6.902 2.315 ( -3.284 5.838 -3.228) 7.436 2.369 ( -1.235 1.529 -0.640) 2.067 2.440 ( 0.744 3.053 0.868) 3.260 2.456 ( -0.289 4.236 -6.285) 7.585 2.471 ( 0.724 1.260 5.473) 5.662 2.545 ( -0.898 -0.907 1.056) 1.656 2.619 ( 2.032 -2.373 2.370) 3.921 2.673 ( -2.581 2.218 -0.961) 3.537 2.750 ( 2.662 2.611 0.747) 3.803 2.807 ( -4.612 -1.928 -1.754) 5.297 2.899 ( 3.051 1.689 2.841) 4.498 2.918 ( 2.245 -0.154 -2.029) 3.030 2.964 ( 2.933 2.132 -5.957) 6.974 2.968 ( -2.134 -2.646 -3.170) 4.648 3.048 ( 3.389 8.448 -0.284) 9.107 3.076 ( -1.017 -1.544 -1.679) 2.497 3.222 ( -4.803 6.775 -1.051) 8.371 3.249 ( -1.263 1.135 -3.000) 3.447 3.409 ( 3.729 0.092 3.925) 5.415 3.483 ( -2.159 0.078 0.550) 2.229 3.501 ( 3.884 -0.449 0.292) 3.920 3.607 ( -4.024 -1.804 -6.553) 7.899 3.748 ( -0.409 4.776 4.911) 6.863 3.784 ( -1.759 11.056 3.491) 11.727 3.835 ( 3.938 2.552 -0.127) 4.695 3.861 ( -1.790 8.227 4.666) 9.626 3.923 ( -2.780 14.362 -1.064) 14.667 3.965 ( 2.307 6.455 -5.883) 9.033 4.126 ( 2.260 5.303 0.561) 5.792 4.141 ( -0.381 5.741 -0.482) 5.774 4.200 ( -1.730 5.006 -0.318) 5.306 4.248 ( 2.264 5.639 -3.304) 6.917 4.306 ( 1.985 9.730 2.052) 10.140 4.340 ( -1.397 10.986 -1.472) 11.172 4.466 ( 0.759 12.996 2.556) 13.266 4.504 ( 0.899 9.801 0.831) 9.877 4.567 ( -0.144 4.267 4.257) 6.029 4.645 ( -0.235 -3.891 -0.691) 3.959 4.686 ( 0.002 8.086 -0.253) 8.090 4.718 ( -0.013 -4.459 -2.762) 5.245 4.872 ( -1.975 5.588 5.437) 8.043 4.950 ( 1.451 2.302 -0.539) 2.774 5.046 ( 2.378 0.292 3.973) 4.640 5.083 ( -3.495 -3.770 0.421) 5.158 5.129 ( 1.418 6.094 9.765) 11.597 5.207 ( 0.299 4.778 1.938) 5.165 5.339 ( -3.421 4.197 -0.662) 5.454 5.360 ( 3.056 -6.001 1.536) 6.907 5.450 ( 1.137 -0.334 -1.160) 1.658 5.598 ( -1.972 -3.127 -11.303) 11.892 5.602 ( 3.800 -0.346 5.410) 6.620 5.738 ( -4.279 3.730 -9.851) 11.370 6.132 ( 0.903 8.161 1.427) 8.334 6.145 ( 0.424 -0.148 -0.570) 0.726 6.323 ( 1.277 1.515 1.691) 2.605 6.369 ( 1.144 -3.965 -0.915) 4.227 6.402 ( -6.438 -4.463 -0.405) 7.844 6.453 ( 2.835 -5.642 -3.550) 7.244 6.605 ( 2.872 -1.894 3.804) 5.129 6.657 ( -2.318 -3.951 -1.139) 4.721 6.708 ( -0.512 -6.229 2.404) 6.697 6.747 ( -0.088 -4.336 -1.516) 4.594 7.005 ( -1.550 1.226 3.399) 3.932 7.118 ( 2.975 2.929 -8.830) 9.768 7.287 ( 0.814 3.231 6.397) 7.213 7.330 ( -2.930 1.621 0.860) 3.457 7.501 ( 1.894 2.547 2.104) 3.808 7.577 ( -0.309 2.098 -5.162) 5.581 7.653 ( -1.860 2.476 2.391) 3.913 7.691 ( 1.003 6.250 -1.767) 6.571 7.871 ( 0.730 -5.706 0.051) 5.752 7.922 ( -0.809 -7.428 -5.030) 9.007 8.225 ( -0.870 -6.736 3.777) 7.772 8.257 ( 1.433 -6.883 0.518) 7.049 8.411 ( 0.832 -6.631 1.511) 6.852 8.450 ( -0.553 -9.394 -1.530) 9.534 8.550 ( -3.243 -3.473 3.530) 5.919 8.664 ( -0.750 -6.733 -3.804) 7.770 8.683 ( 2.929 -1.200 -1.678) 3.582 8.732 ( -1.178 -3.492 -4.884) 6.119 8.991 ( 1.641 1.679 1.319) 2.693 9.033 ( -1.452 0.634 -3.073) 3.457 9.271 ( -0.014 -7.628 0.520) 7.646 9.277 ( -0.343 -8.804 0.044) 8.811 9.652 ( -2.330 5.629 3.746) 7.151 9.683 ( 2.548 3.700 0.778) 4.559 9.847 ( 2.599 3.387 6.748) 7.985 9.873 ( 0.678 -0.514 7.452) 7.500 10.012 ( -1.294 8.484 -4.251) 9.578 10.074 ( -2.631 6.025 -8.058) 10.400 10.183 ( 1.931 3.577 -0.457) 4.090 10.220 ( 0.373 3.999 -3.981) 5.655 10.567 ( -0.235 6.052 -0.294) 6.064 10.570 ( -0.556 5.063 -0.886) 5.170 10.657 ( -0.395 5.260 2.801) 5.973 10.722 ( 1.307 5.545 -3.902) 6.905 10.853 ( 0.878 8.525 7.354) 11.292 10.968 ( 0.431 6.391 -4.688) 7.938 11.062 ( 3.800 5.491 5.878) 8.897 11.163 ( -6.117 7.592 -4.394) 10.694 11.266 ( 0.100 3.482 1.761) 3.903 11.275 ( -0.634 4.014 0.791) 4.140 11.578 ( 0.306 -1.992 4.073) 4.545 11.592 ( 0.278 0.767 4.415) 4.490 11.673 ( 1.685 -3.797 -1.489) 4.413 11.734 ( 0.972 -2.107 -4.857) 5.383 11.864 ( -1.352 1.568 1.517) 2.567 11.896 ( 2.319 0.939 -1.683) 3.015 11.948 ( -1.476 4.822 4.249) 6.594 12.000 ( 2.419 -3.567 -0.203) 4.315 12.074 ( -5.005 1.882 1.429) 5.535 12.143 ( 0.877 2.934 -5.602) 6.385 12.369 ( -0.484 -7.450 0.796) 7.508 12.413 ( 2.036 -9.053 -3.578) 9.945 12.652 ( 0.236 -1.942 3.721) 4.204 12.720 ( -0.910 -4.289 -3.199) 5.427 13.019 ( -1.534 -3.665 2.681) 4.793 13.073 ( 0.919 -3.562 -3.354) 4.978 13.342 ( -1.068 -13.264 3.463) 13.750 13.400 ( 0.495 -14.774 -2.782) 15.042 16.467 ( -0.787 10.676 3.885) 11.389 16.540 ( 1.428 11.358 -3.864) 12.082 16.762 ( -3.755 2.641 7.989) 9.214 16.915 ( 4.583 2.071 -8.594) 9.958 17.415 ( -1.937 -0.070 3.836) 4.298 17.470 ( 1.728 1.570 -1.681) 2.877 17.792 ( 1.318 2.576 5.145) 5.903 17.882 ( -1.104 3.474 -4.609) 5.876 18.006 ( 1.333 -1.461 4.046) 4.503 18.105 ( -4.425 -1.039 -5.049) 6.794 18.285 ( 2.947 -2.043 1.226) 3.790 18.349 ( -1.786 -5.388 -4.513) 7.252 18.664 ( -7.369 7.697 -0.607) 10.673 18.667 ( 5.467 8.790 -0.821) 10.384 19.024 ( 0.662 2.720 3.818) 4.735 19.057 ( -0.031 4.630 1.497) 4.866 19.079 ( 8.571 5.419 4.383) 11.047 19.178 ( -6.663 4.091 -5.565) 9.596 19.958 ( 1.317 -21.284 1.226) 21.360 19.979 ( -0.597 -23.338 -1.037) 23.368 20.536 ( -3.301 2.557 1.349) 4.388 20.565 ( 4.055 0.826 -1.857) 4.536 20.774 ( -4.352 1.300 3.616) 5.806 20.820 ( 2.906 1.206 -1.242) 3.383 20.952 ( -1.196 -1.376 2.508) 3.101 21.017 ( 2.424 -1.762 -4.074) 5.057 21.181 ( 8.513 -0.742 4.358) 9.592 21.261 ( -5.513 2.248 -3.157) 6.739 21.441 ( 1.594 5.715 -1.717) 6.177 21.445 ( -5.920 3.849 -2.548) 7.507 22.091 ( 7.843 -9.545 2.732) 12.652 22.113 ( -7.292 -11.739 0.461) 13.827 22.462 ( 3.761 20.052 0.885) 20.420 22.475 ( -2.698 17.394 -0.509) 17.610 23.152 ( -1.103 -4.149 0.893) 4.385 23.167 ( 0.933 -3.976 -0.588) 4.126 ======================= Grid point 107 (57/64) ======================= q-point: (-0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -10.057 12.979 6.884) 17.805 1.203 ( -7.883 20.214 6.488) 22.646 1.308 ( -2.509 12.999 6.255) 14.642 1.707 ( 13.042 3.508 -0.347) 13.510 1.816 ( -0.280 4.453 -6.386) 7.790 1.966 ( 4.063 5.493 -0.319) 6.840 2.010 ( 2.888 9.574 -0.368) 10.007 2.038 ( -1.208 1.082 -0.312) 1.652 2.212 ( 0.101 -1.151 -0.301) 1.194 2.213 ( 1.749 2.133 -1.756) 3.270 2.230 ( -0.848 -1.125 -1.082) 1.777 2.288 ( 2.593 6.382 -0.560) 6.911 2.336 ( 1.553 3.153 2.976) 4.605 2.404 ( 0.622 0.292 -1.585) 1.727 2.414 ( 3.696 3.287 1.761) 5.250 2.500 ( 2.904 1.388 -3.197) 4.537 2.540 ( 1.866 2.773 1.610) 3.710 2.560 ( 4.389 3.114 -0.589) 5.413 2.596 ( 0.155 -1.728 2.214) 2.813 2.697 ( -2.240 1.291 -0.525) 2.638 2.758 ( 5.371 -0.730 2.773) 6.089 2.846 ( -3.336 4.096 -4.806) 7.142 2.856 ( 2.892 -1.422 3.491) 4.751 2.892 ( -2.933 3.359 -1.288) 4.642 2.958 ( 3.857 -2.603 -3.246) 5.674 2.989 ( 2.261 0.191 0.316) 2.291 3.037 ( 1.183 -4.174 -4.357) 6.149 3.107 ( 2.725 3.144 -0.461) 4.186 3.199 ( -3.358 -4.038 4.533) 6.938 3.277 ( 1.783 5.722 3.130) 6.761 3.359 ( 0.107 4.359 -2.041) 4.814 3.461 ( -3.189 -0.915 -2.950) 4.440 3.597 ( 3.305 -6.136 5.904) 9.133 3.611 ( 3.687 1.639 -0.780) 4.110 3.746 ( -3.345 6.713 1.891) 7.734 3.749 ( -3.580 8.520 -1.161) 9.315 3.799 ( -2.738 9.580 -2.348) 10.237 3.863 ( 0.756 7.252 -0.998) 7.359 3.938 ( 1.385 7.214 5.061) 8.920 4.017 ( 4.278 10.159 -0.619) 11.041 4.094 ( -1.963 9.019 -2.766) 9.636 4.169 ( 0.005 1.061 -1.035) 1.482 4.200 ( -2.689 10.402 -0.722) 10.768 4.211 ( 3.905 5.457 0.641) 6.741 4.304 ( 2.089 4.815 -1.389) 5.430 4.383 ( 0.677 10.859 -2.066) 11.075 4.463 ( 1.541 10.531 -1.447) 10.741 4.523 ( -0.229 10.726 -1.793) 10.877 4.582 ( -0.190 1.712 0.647) 1.840 4.647 ( -2.308 -0.478 -3.055) 3.859 4.675 ( 1.347 5.039 2.862) 5.950 4.709 ( 0.982 -0.882 1.745) 2.188 4.877 ( -3.374 -0.156 2.475) 4.188 4.950 ( 1.681 6.756 -2.583) 7.425 5.003 ( -3.601 1.196 -2.357) 4.467 5.094 ( -1.645 -0.479 1.304) 2.154 5.178 ( -2.367 5.274 1.311) 5.927 5.185 ( -0.445 8.321 -6.113) 10.335 5.298 ( -1.871 -0.395 2.609) 3.234 5.416 ( 3.656 3.135 -3.939) 6.222 5.467 ( -0.445 -5.891 -6.334) 8.662 5.555 ( -0.218 -9.861 5.556) 11.321 5.574 ( -0.434 3.933 0.701) 4.018 5.765 ( 5.100 6.259 7.988) 11.357 6.044 ( -5.863 2.589 -0.561) 6.434 6.180 ( -1.609 -1.623 -2.391) 3.307 6.265 ( -3.693 1.045 -0.495) 3.870 6.281 ( -5.407 2.233 0.972) 5.930 6.432 ( 1.377 0.060 2.581) 2.926 6.497 ( 2.504 -4.215 -0.300) 4.912 6.551 ( -2.643 -6.795 -1.468) 7.438 6.710 ( 2.927 -5.679 1.768) 6.629 6.766 ( 3.883 -2.770 0.381) 4.785 6.783 ( 4.704 -6.373 -1.188) 8.010 6.969 ( -4.843 3.037 0.574) 5.745 7.094 ( 1.484 2.682 -1.334) 3.343 7.260 ( -3.992 2.341 -0.687) 4.678 7.340 ( -1.716 4.302 1.694) 4.932 7.531 ( 2.080 -2.471 -3.235) 4.572 7.559 ( 1.150 1.532 2.869) 3.450 7.654 ( -0.480 4.213 0.113) 4.242 7.719 ( 3.104 6.438 0.820) 7.194 7.888 ( 2.224 -8.816 -1.320) 9.187 7.934 ( 2.868 -4.778 2.541) 6.125 8.211 ( -3.051 -4.918 -0.575) 5.816 8.259 ( 0.133 -8.920 -1.734) 9.088 8.389 ( -1.980 -9.041 -1.093) 9.319 8.473 ( 1.743 -7.825 0.967) 8.075 8.564 ( -2.417 -3.641 6.746) 8.037 8.620 ( 0.985 -4.835 -0.687) 4.982 8.665 ( -1.212 -3.357 -2.138) 4.160 8.764 ( 4.220 -3.339 2.216) 5.820 8.971 ( -1.487 1.465 -2.101) 2.962 9.050 ( 1.705 0.680 2.025) 2.733 9.268 ( 0.145 -8.391 -0.052) 8.393 9.306 ( 2.084 -7.890 0.436) 8.172 9.612 ( -3.045 6.143 -0.004) 6.856 9.759 ( 4.230 3.187 -1.492) 5.502 9.848 ( -2.257 1.435 -6.141) 6.698 9.906 ( -0.406 0.597 -5.321) 5.370 9.994 ( 0.483 9.490 4.073) 10.339 10.072 ( 3.012 5.348 7.593) 9.763 10.152 ( -0.934 3.353 -2.234) 4.136 10.255 ( 3.699 2.106 -0.328) 4.270 10.547 ( -2.141 4.252 0.782) 4.824 10.558 ( -0.265 6.022 0.589) 6.056 10.672 ( -1.510 7.717 0.277) 7.868 10.698 ( 0.732 5.390 -1.046) 5.539 10.893 ( -0.720 11.730 -6.778) 13.566 10.931 ( 0.466 2.757 1.310) 3.088 11.022 ( -3.627 8.974 -1.436) 9.785 11.191 ( 0.562 4.359 4.785) 6.498 11.287 ( 1.412 0.114 0.943) 1.702 11.294 ( 2.072 7.135 1.948) 7.681 11.573 ( -1.328 -2.663 -2.850) 4.121 11.636 ( 0.504 -0.627 2.293) 2.430 11.661 ( 0.315 -2.198 -6.977) 7.322 11.706 ( 0.252 0.149 0.492) 0.572 11.824 ( -2.413 -1.457 -0.701) 2.905 11.895 ( -3.653 -2.677 -2.430) 5.140 11.966 ( 0.807 -0.656 -0.529) 1.166 11.990 ( 0.828 6.193 2.438) 6.707 12.080 ( -0.952 -3.028 4.195) 5.261 12.152 ( 3.306 5.113 1.261) 6.217 12.393 ( 2.969 -4.338 -0.216) 5.261 12.424 ( 2.384 -8.763 -2.186) 9.341 12.679 ( 0.409 -2.900 -2.929) 4.142 12.709 ( 0.682 -3.240 4.003) 5.195 13.044 ( 0.354 -4.217 3.163) 5.283 13.077 ( 2.938 -3.161 -1.744) 4.655 13.359 ( -1.543 -15.191 3.386) 15.640 13.379 ( 0.494 -13.747 -2.379) 13.960 16.395 ( -4.516 10.559 0.504) 11.495 16.627 ( 4.343 6.912 -1.263) 8.261 16.790 ( 0.178 2.713 3.466) 4.405 16.931 ( 6.154 1.404 -6.071) 8.758 17.409 ( -1.164 1.550 1.488) 2.444 17.516 ( 4.193 2.146 -1.206) 4.862 17.798 ( -1.378 1.207 -2.157) 2.830 17.917 ( 3.447 -0.462 -1.644) 3.847 17.977 ( 0.614 2.871 1.450) 3.274 18.112 ( -0.137 2.880 6.886) 7.465 18.258 ( -1.138 -1.567 -4.233) 4.655 18.351 ( 0.510 -1.472 3.686) 4.002 18.579 ( -2.889 4.724 0.591) 5.569 18.802 ( 7.566 6.078 2.788) 10.097 18.938 ( -3.482 6.773 -2.790) 8.110 19.082 ( 5.114 -0.122 -2.945) 5.903 19.184 ( 7.882 8.369 -2.605) 11.787 19.385 ( 16.285 0.579 2.116) 16.432 19.946 ( -0.854 -17.379 -1.585) 17.472 19.988 ( 1.072 -22.763 0.844) 22.804 20.452 ( -6.086 0.130 1.141) 6.194 20.563 ( -3.230 4.382 -2.403) 5.951 20.691 ( -9.151 2.185 3.621) 10.081 20.833 ( -1.006 0.454 -0.391) 1.171 20.910 ( -4.204 -2.780 0.636) 5.080 20.926 ( -7.224 -2.672 -5.032) 9.200 21.069 ( -6.910 -0.896 -4.904) 8.520 21.321 ( -0.346 4.300 3.364) 5.471 21.341 ( 1.159 2.758 4.166) 5.129 21.597 ( 4.716 2.214 0.258) 5.216 21.920 ( -8.547 -10.106 0.345) 13.240 22.255 ( 6.051 -10.016 -0.625) 11.718 22.428 ( -1.028 19.286 -1.027) 19.340 22.556 ( 6.041 18.011 -1.325) 19.044 23.143 ( -0.866 -4.450 0.958) 4.633 23.181 ( 1.178 -3.375 -0.668) 3.637 ======================= Grid point 108 (58/64) ======================= q-point: (-0.17 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -1.379 20.506 8.663) 22.303 1.275 ( -2.298 17.593 19.248) 26.178 1.334 ( -3.235 15.210 6.335) 16.791 1.752 ( 0.169 7.003 -4.196) 8.166 1.868 ( 5.164 1.230 -0.756) 5.362 1.964 ( -2.827 17.093 2.923) 17.570 2.026 ( 1.559 4.192 1.526) 4.725 2.080 ( 3.520 0.105 -0.897) 3.634 2.154 ( 0.465 7.168 -4.460) 8.455 2.240 ( 4.927 -2.764 -0.339) 5.659 2.294 ( 0.527 -0.061 -0.124) 0.545 2.328 ( -2.154 -0.633 -5.770) 6.191 2.345 ( 4.205 4.194 1.661) 6.167 2.435 ( 3.216 0.932 0.096) 3.349 2.478 ( 3.370 2.699 -1.859) 4.701 2.530 ( 1.321 0.103 2.699) 3.006 2.564 ( 0.486 3.110 3.070) 4.396 2.613 ( -1.915 -3.033 -2.700) 4.489 2.681 ( 4.189 2.802 -1.634) 5.298 2.710 ( 6.686 -2.812 -0.723) 7.289 2.749 ( -1.504 4.583 -2.408) 5.391 2.820 ( 3.237 -3.720 -2.682) 5.613 2.877 ( 0.119 -3.619 -0.310) 3.634 2.947 ( -1.903 -0.230 5.572) 5.892 2.970 ( 1.461 -6.497 -5.428) 8.591 3.001 ( 1.028 -3.119 -0.012) 3.284 3.025 ( 1.823 2.627 -1.018) 3.356 3.150 ( -3.341 1.486 1.148) 3.832 3.165 ( 4.751 2.765 -0.361) 5.509 3.287 ( -2.811 4.634 -1.317) 5.577 3.337 ( -1.952 -1.121 -2.275) 3.201 3.478 ( 2.661 1.724 2.050) 3.776 3.547 ( -3.686 0.154 -3.702) 5.227 3.659 ( -2.105 8.052 -2.975) 8.839 3.693 ( 2.459 1.521 3.673) 4.674 3.742 ( -3.658 3.822 7.565) 9.232 3.831 ( 1.468 11.376 3.997) 12.147 3.887 ( 3.739 9.296 -0.533) 10.034 3.972 ( -2.446 3.868 -0.240) 4.583 4.030 ( 1.973 7.018 -0.605) 7.315 4.081 ( 0.769 15.227 1.589) 15.329 4.128 ( -2.000 2.303 -1.871) 3.578 4.169 ( -0.195 5.754 1.072) 5.856 4.249 ( -0.580 8.548 -5.490) 10.176 4.360 ( 1.922 10.338 -2.256) 10.755 4.401 ( 7.414 1.145 3.460) 8.262 4.421 ( -0.335 5.338 -4.219) 6.812 4.529 ( 0.529 7.288 -1.023) 7.379 4.551 ( -1.807 -0.147 0.182) 1.822 4.641 ( -0.211 6.412 2.125) 6.759 4.691 ( 0.307 5.179 -1.922) 5.532 4.777 ( 1.100 -0.651 1.085) 1.677 4.829 ( -1.549 0.706 1.306) 2.145 4.888 ( -1.994 3.556 -5.382) 6.752 4.956 ( 0.564 5.740 -2.616) 6.334 5.021 ( -1.876 10.089 -4.887) 11.366 5.121 ( -0.778 3.212 -3.778) 5.019 5.139 ( -2.205 11.592 -0.660) 11.819 5.282 ( -1.592 -5.467 0.815) 5.752 5.387 ( -3.261 -7.422 -2.148) 8.386 5.439 ( 0.457 -1.533 -0.359) 1.639 5.477 ( 0.818 0.397 -2.724) 2.872 5.757 ( 3.505 -0.896 7.305) 8.152 5.936 ( 1.310 6.044 5.256) 8.116 5.950 ( -4.198 -0.032 4.809) 6.384 6.085 ( -2.257 0.371 -1.401) 2.682 6.184 ( -3.076 0.222 0.083) 3.085 6.250 ( -1.157 2.130 -0.035) 2.424 6.447 ( -2.564 3.153 1.618) 4.374 6.475 ( -0.086 0.814 -1.869) 2.040 6.578 ( 1.629 -11.126 2.074) 11.434 6.792 ( 2.642 -5.735 -1.054) 6.402 6.812 ( 3.438 -5.836 -5.745) 8.882 6.825 ( 2.227 -1.612 -0.129) 2.752 6.922 ( -3.148 4.133 6.502) 8.323 7.104 ( -0.179 4.693 0.588) 4.733 7.178 ( -2.920 2.933 -2.186) 4.681 7.290 ( -0.959 1.535 -3.896) 4.295 7.578 ( 3.690 -5.882 0.521) 6.963 7.614 ( 0.467 -1.086 3.981) 4.153 7.651 ( -0.020 0.690 0.603) 0.917 7.769 ( 1.172 3.903 -1.341) 4.290 7.948 ( 3.885 -6.553 1.116) 7.699 8.015 ( 1.969 -4.090 4.052) 6.085 8.127 ( -3.042 -2.808 -2.495) 4.834 8.237 ( -0.195 -8.153 -2.369) 8.492 8.361 ( -0.696 -9.855 0.706) 9.905 8.478 ( -1.104 -12.190 -1.301) 12.309 8.613 ( -0.825 -3.840 7.223) 8.222 8.653 ( 0.789 -3.639 1.174) 3.904 8.691 ( 4.248 -1.656 3.429) 5.705 8.866 ( 3.200 -2.747 2.012) 4.673 8.922 ( -1.983 -0.616 -0.034) 2.076 9.093 ( 0.453 0.047 1.958) 2.010 9.264 ( -0.847 -8.388 0.222) 8.433 9.345 ( 1.958 -6.132 -0.937) 6.504 9.555 ( -2.007 4.735 -1.431) 5.338 9.725 ( -2.152 1.735 -7.407) 7.906 9.771 ( 0.996 3.454 -4.018) 5.391 9.859 ( 2.195 4.114 -5.189) 6.976 10.051 ( 0.200 7.368 2.454) 7.768 10.098 ( -1.425 5.919 1.400) 6.247 10.253 ( 5.378 0.681 6.283) 8.298 10.312 ( 0.584 -0.004 3.238) 3.290 10.509 ( -2.250 3.243 -0.377) 3.965 10.575 ( 0.636 2.831 -0.122) 2.904 10.636 ( -1.005 9.801 0.082) 9.853 10.702 ( -0.005 8.489 -0.631) 8.513 10.812 ( 0.000 12.555 -5.464) 13.693 10.875 ( -2.027 3.291 -3.718) 5.363 11.022 ( 1.378 7.110 1.245) 7.348 11.209 ( -1.149 3.006 1.781) 3.678 11.293 ( -0.931 5.759 1.368) 5.992 11.401 ( 2.431 1.813 4.301) 5.262 11.482 ( -1.537 0.714 -8.525) 8.692 11.597 ( 0.329 -1.078 -5.716) 5.826 11.652 ( 0.219 -3.741 0.670) 3.807 11.702 ( -0.213 1.905 -0.156) 1.923 11.753 ( -3.261 -3.111 -1.479) 4.743 11.816 ( -1.487 -2.362 -1.333) 3.093 11.966 ( -0.500 -4.130 -0.506) 4.190 12.008 ( -0.971 -2.340 -1.812) 3.115 12.127 ( -0.121 0.721 8.874) 8.905 12.278 ( 5.623 5.159 2.830) 8.139 12.425 ( 2.009 -7.728 -3.257) 8.624 12.454 ( 2.315 -2.106 -0.612) 3.189 12.677 ( 2.103 -2.390 -0.775) 3.277 12.748 ( -0.916 -2.805 2.701) 4.000 13.091 ( 1.074 -4.549 2.607) 5.352 13.132 ( 3.564 -2.869 -0.059) 4.576 13.354 ( -3.436 -17.510 2.817) 18.065 13.367 ( 1.424 -15.086 -2.348) 15.334 16.358 ( -1.270 10.547 2.181) 10.845 16.619 ( -1.942 4.726 -2.891) 5.871 16.822 ( 3.962 1.155 -3.821) 5.624 16.959 ( 0.949 -2.948 -3.226) 4.471 17.442 ( 3.294 3.658 2.100) 5.352 17.569 ( 1.266 2.542 1.221) 3.091 17.744 ( -1.845 1.154 -2.976) 3.687 17.859 ( -0.635 -4.520 -3.946) 6.033 18.101 ( -1.933 4.851 4.356) 6.800 18.204 ( 6.462 1.294 0.881) 6.648 18.250 ( 4.842 6.683 -2.983) 8.775 18.360 ( -3.933 6.315 1.840) 7.664 18.602 ( 5.660 2.312 3.402) 6.997 18.883 ( 2.089 3.827 1.014) 4.477 18.947 ( 1.059 5.222 -0.547) 5.356 19.232 ( 9.040 -2.314 -1.298) 9.421 19.302 ( 13.423 6.103 -4.326) 15.367 19.603 ( 6.682 -7.293 -2.374) 10.172 19.954 ( 3.420 -6.689 -0.106) 7.514 20.086 ( 8.540 -12.491 4.020) 15.656 20.366 ( -4.511 -3.611 0.412) 5.793 20.397 ( -9.609 7.358 -1.605) 12.208 20.543 ( -12.253 -1.095 3.339) 12.747 20.718 ( -5.292 -1.478 -1.625) 5.730 20.783 ( -4.518 -1.430 -0.043) 4.739 20.854 ( -2.715 -4.749 -2.371) 5.962 20.966 ( -2.576 -4.020 -2.099) 5.215 21.184 ( -17.620 -8.352 -3.160) 19.753 21.409 ( 0.898 7.037 6.470) 9.601 21.580 ( 1.656 6.174 -2.950) 7.040 21.949 ( 2.436 -4.895 7.460) 9.249 22.284 ( 1.489 -9.019 -5.289) 10.561 22.436 ( 1.298 19.763 1.571) 19.867 22.611 ( 3.695 17.102 -5.609) 18.374 23.146 ( -0.215 -4.388 1.213) 4.558 23.188 ( 0.635 -3.068 -1.100) 3.321 ======================= Grid point 109 (59/64) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -1.227 19.695 4.750) 20.297 1.667 ( -0.199 16.469 0.679) 16.484 1.747 ( -2.245 11.662 13.101) 17.683 1.903 ( 0.024 -3.961 7.143) 8.168 1.946 ( 3.597 -1.983 -1.293) 4.306 1.968 ( 0.180 4.926 -5.055) 7.060 2.050 ( -1.772 -8.505 3.890) 9.519 2.170 ( 1.297 -7.557 -5.968) 9.716 2.186 ( 2.876 1.062 0.416) 3.094 2.210 ( -0.971 1.063 -2.142) 2.581 2.218 ( -2.865 -0.416 -0.379) 2.920 2.241 ( 4.455 -3.319 -1.676) 5.802 2.350 ( -1.159 -1.288 -2.378) 2.943 2.382 ( -2.489 -3.040 -4.849) 6.241 2.520 ( -2.515 -1.758 1.440) 3.390 2.535 ( -0.501 -3.053 -0.288) 3.107 2.623 ( -1.019 0.711 1.189) 1.720 2.627 ( 2.915 2.139 0.020) 3.616 2.702 ( 2.139 0.536 3.895) 4.476 2.720 ( -4.362 -0.427 1.584) 4.660 2.738 ( -0.836 -3.554 0.580) 3.697 2.775 ( 0.341 -3.119 -3.555) 4.742 2.787 ( -0.572 2.930 -4.448) 5.357 2.811 ( 1.840 2.293 -5.364) 6.117 2.996 ( -0.527 -1.850 1.877) 2.688 3.015 ( -1.296 -1.337 0.774) 2.017 3.148 ( 2.948 4.589 -0.107) 5.456 3.154 ( -0.939 4.491 0.163) 4.591 3.293 ( 0.990 4.218 2.407) 4.956 3.354 ( 3.730 0.885 -3.394) 5.120 3.455 ( 0.846 5.610 3.117) 6.473 3.496 ( 2.320 2.118 -0.787) 3.238 3.618 ( -0.717 6.063 1.264) 6.235 3.641 ( 0.276 2.860 -1.436) 3.212 3.806 ( 4.882 -1.416 5.358) 7.386 3.848 ( -4.839 -3.529 1.875) 6.276 3.918 ( 0.679 -1.474 2.444) 2.934 3.961 ( -0.374 -1.709 2.534) 3.080 3.974 ( -0.487 1.150 -2.979) 3.230 4.041 ( -5.352 -3.668 -3.603) 7.422 4.196 ( 2.305 5.306 2.214) 6.195 4.225 ( 1.664 1.903 0.147) 2.532 4.331 ( -1.167 8.857 1.050) 8.995 4.390 ( 1.089 -0.832 -1.421) 1.974 4.402 ( 0.299 2.077 -1.846) 2.794 4.436 ( -1.655 2.295 -3.708) 4.664 4.468 ( 2.110 3.393 1.331) 4.212 4.558 ( -2.042 -2.956 -5.539) 6.602 4.653 ( -1.340 1.614 1.259) 2.446 4.676 ( 0.637 1.179 -0.961) 1.649 4.781 ( 0.651 2.841 -0.182) 2.920 4.800 ( -0.802 1.328 -1.833) 2.401 4.948 ( 1.005 6.359 3.335) 7.251 4.979 ( 0.462 3.670 -0.005) 3.699 5.047 ( -2.778 2.807 -0.165) 3.953 5.086 ( -1.281 -2.274 -1.920) 3.241 5.114 ( -1.805 8.672 0.936) 8.907 5.132 ( -0.116 5.657 -1.920) 5.975 5.228 ( 0.187 -1.323 0.750) 1.532 5.266 ( -0.049 -1.240 -3.038) 3.282 5.553 ( -2.618 7.023 1.215) 7.592 5.581 ( 3.023 6.968 -1.470) 7.736 5.802 ( -2.057 -2.119 2.151) 3.653 5.846 ( 1.868 -2.489 -2.250) 3.840 5.972 ( -0.901 -5.254 0.422) 5.347 5.988 ( 3.515 -7.435 -1.004) 8.285 6.258 ( -0.543 0.078 4.067) 4.104 6.280 ( 0.492 -1.513 2.157) 2.680 6.510 ( -1.238 6.161 0.589) 6.312 6.520 ( 1.776 0.853 1.248) 2.332 6.543 ( 0.396 1.359 0.688) 1.574 6.621 ( 0.745 -5.059 -6.557) 8.315 6.826 ( -1.105 5.133 2.733) 5.919 6.874 ( 0.439 9.890 -1.471) 10.008 6.974 ( -0.895 -3.784 7.469) 8.420 7.109 ( 0.720 -7.930 -4.950) 9.376 7.185 ( 0.432 1.483 -0.430) 1.604 7.218 ( -0.115 -1.776 -4.965) 5.275 7.519 ( 0.401 -2.885 4.002) 4.950 7.557 ( -0.902 -5.119 0.952) 5.284 7.750 ( 0.496 6.870 0.652) 6.919 7.777 ( -0.828 4.794 -1.979) 5.252 7.948 ( 1.129 -3.536 0.953) 3.833 7.962 ( 0.034 -4.182 -0.989) 4.297 8.118 ( -1.823 -1.006 1.246) 2.427 8.140 ( 2.258 -0.231 -1.529) 2.736 8.209 ( -0.832 -3.873 2.021) 4.448 8.243 ( 0.910 -5.539 -1.644) 5.849 8.546 ( -1.548 -2.939 3.409) 4.759 8.586 ( 1.205 -6.396 -0.306) 6.516 8.811 ( 2.031 1.024 4.701) 5.222 8.859 ( 1.451 -3.510 1.857) 4.228 8.931 ( -2.044 3.780 2.888) 5.178 9.022 ( -0.967 -4.440 -3.999) 6.053 9.187 ( -0.470 -0.681 2.903) 3.019 9.237 ( 0.287 -4.826 -1.876) 5.186 9.584 ( -0.264 2.633 -1.863) 3.236 9.613 ( -1.206 -0.286 -4.668) 4.830 9.867 ( -0.120 4.402 0.760) 4.469 9.897 ( -0.412 1.704 -2.189) 2.804 10.206 ( 0.532 5.218 1.849) 5.561 10.221 ( 0.185 4.115 0.421) 4.140 10.345 ( 1.377 -1.493 1.804) 2.717 10.351 ( 2.287 -2.389 1.387) 3.586 10.533 ( -0.551 2.023 -0.552) 2.168 10.546 ( -0.762 0.743 -1.696) 2.002 10.755 ( -1.095 2.183 0.165) 2.448 10.781 ( 0.163 0.160 -2.404) 2.415 10.965 ( 1.203 11.097 0.572) 11.177 11.000 ( -0.718 10.258 -3.582) 10.889 11.153 ( 3.202 -3.513 0.088) 4.754 11.164 ( -2.059 -7.109 -0.726) 7.437 11.401 ( -4.183 3.896 2.875) 6.399 11.427 ( 0.001 6.213 0.125) 6.214 11.469 ( -3.271 2.389 1.298) 4.253 11.544 ( 3.277 -2.350 -4.584) 6.105 11.605 ( 1.278 -0.683 2.715) 3.078 11.667 ( -1.300 -3.970 -3.322) 5.337 11.745 ( -0.354 1.934 1.189) 2.297 11.765 ( 0.626 0.058 -0.519) 0.815 11.827 ( -0.617 -2.757 1.642) 3.268 11.880 ( 1.921 -6.030 -3.655) 7.308 12.207 ( -0.182 -1.125 2.743) 2.970 12.252 ( 0.711 -5.827 -2.366) 6.330 12.449 ( -2.380 6.629 5.261) 8.791 12.526 ( 1.484 2.385 -2.614) 3.837 12.688 ( 0.270 -0.130 2.491) 2.509 12.729 ( 0.605 -1.203 -1.656) 2.134 13.016 ( -1.662 -6.245 2.487) 6.924 13.045 ( 1.694 -8.897 0.104) 9.058 13.120 ( 0.543 -1.775 -0.178) 1.865 13.138 ( -1.028 -4.437 -1.769) 4.886 16.531 ( -0.119 3.759 3.232) 4.959 16.572 ( -1.591 -0.482 -0.899) 1.890 16.832 ( 0.656 -0.774 -1.353) 1.691 16.850 ( 1.327 -2.606 -2.967) 4.167 17.602 ( -5.850 4.846 1.589) 7.761 17.631 ( 6.213 5.848 -0.938) 8.584 17.703 ( -5.307 -3.638 1.839) 6.692 17.755 ( 5.433 -5.606 -2.879) 8.321 18.180 ( -0.414 1.529 1.964) 2.523 18.196 ( -1.177 -0.467 0.344) 1.312 18.514 ( -2.754 12.931 0.762) 13.243 18.535 ( 4.061 10.679 -1.241) 11.492 18.798 ( 0.352 1.930 9.930) 10.122 18.929 ( -0.642 -0.111 0.117) 0.662 18.991 ( -3.593 -5.037 -1.292) 6.320 19.085 ( 2.610 -9.824 -7.932) 12.894 19.483 ( -1.434 1.485 1.005) 2.296 19.524 ( 4.494 -2.332 -3.650) 6.241 20.109 ( 0.015 2.154 1.337) 2.535 20.112 ( -3.034 1.981 1.007) 3.760 20.348 ( -4.230 1.777 0.763) 4.651 20.370 ( 6.646 2.281 -1.601) 7.207 20.422 ( 8.772 -4.504 2.624) 10.204 20.469 ( -10.880 -7.262 -2.430) 13.305 20.692 ( 1.888 0.515 1.132) 2.261 20.710 ( -0.233 -0.813 -0.437) 0.952 20.832 ( -0.163 -2.715 -2.287) 3.553 20.847 ( -0.930 -3.828 -3.620) 5.350 21.642 ( -0.462 7.479 5.845) 9.503 21.709 ( 0.539 3.019 -0.547) 3.115 21.973 ( -0.127 -1.549 3.543) 3.869 22.060 ( -0.126 -8.100 -5.119) 9.583 22.787 ( 0.338 11.671 2.027) 11.851 22.839 ( 0.062 8.732 -3.672) 9.473 23.058 ( -0.369 -4.879 1.571) 5.139 23.089 ( -0.090 -5.667 -1.801) 5.947 ======================= Grid point 110 (60/64) ======================= q-point: ( 0.17 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -5.067 15.893 3.464) 17.037 1.647 ( -1.507 16.635 -1.247) 16.749 1.821 ( -4.260 3.377 5.277) 7.576 1.864 ( 0.295 9.019 -12.406) 15.341 1.915 ( -2.726 -6.039 -1.613) 6.819 1.974 ( 1.135 2.124 2.886) 3.759 2.045 ( -4.110 -8.874 1.784) 9.941 2.093 ( -0.864 -3.974 -3.099) 5.113 2.126 ( -2.250 3.110 0.909) 3.945 2.172 ( -2.555 -2.459 0.167) 3.550 2.268 ( -1.171 3.259 -1.728) 3.870 2.320 ( 6.352 1.136 -0.854) 6.509 2.334 ( -0.944 -4.178 2.329) 4.876 2.406 ( 4.768 -7.718 4.119) 9.964 2.451 ( -4.347 2.747 0.617) 5.179 2.522 ( -4.706 -4.473 2.147) 6.839 2.571 ( -2.303 1.581 0.554) 2.848 2.590 ( -2.966 -0.840 1.310) 3.349 2.611 ( -7.988 0.664 -2.239) 8.322 2.681 ( -3.366 -2.679 0.570) 4.339 2.732 ( -0.327 0.131 2.058) 2.088 2.778 ( 0.857 -4.051 0.257) 4.149 2.817 ( 1.088 5.293 -1.333) 5.566 2.839 ( 4.179 4.343 1.224) 6.150 2.977 ( -2.250 -2.812 -1.476) 3.892 3.032 ( 0.685 -6.110 1.619) 6.358 3.150 ( 1.757 7.262 -1.470) 7.614 3.195 ( 0.838 2.636 0.500) 2.811 3.354 ( 5.859 3.947 -3.447) 7.861 3.363 ( -0.015 3.806 -2.023) 4.311 3.374 ( -0.633 7.656 -5.914) 9.695 3.546 ( -2.536 -3.996 -1.631) 5.006 3.572 ( -2.597 2.540 -3.222) 4.856 3.619 ( -0.910 -4.216 1.307) 4.507 3.776 ( 0.226 7.022 2.238) 7.373 3.863 ( -1.891 0.435 1.311) 2.342 3.927 ( -0.773 -0.089 -0.269) 0.823 3.969 ( 2.190 -2.912 -2.775) 4.580 4.053 ( 6.749 4.659 2.870) 8.688 4.139 ( -2.612 4.840 -0.430) 5.516 4.152 ( 3.218 -1.129 1.611) 3.772 4.165 ( -2.419 -0.058 -1.138) 2.674 4.296 ( -3.903 1.220 1.977) 4.543 4.355 ( -2.039 -1.897 0.179) 2.791 4.377 ( -0.609 3.399 -3.249) 4.741 4.456 ( 0.996 2.162 -0.379) 2.410 4.496 ( 3.425 5.297 1.176) 6.416 4.577 ( 1.791 3.151 3.717) 5.192 4.643 ( -0.010 -1.470 1.095) 1.833 4.674 ( -0.164 0.814 0.318) 0.889 4.753 ( -1.370 4.625 -0.148) 4.826 4.818 ( 0.368 0.767 0.133) 0.861 4.943 ( -0.929 7.532 -0.846) 7.636 4.959 ( -1.357 4.894 0.254) 5.085 5.065 ( -0.694 -0.089 2.127) 2.239 5.095 ( -0.233 -4.006 1.969) 4.470 5.104 ( 1.552 8.579 5.077) 10.089 5.147 ( 1.079 7.396 1.455) 7.615 5.242 ( 0.411 -1.949 0.757) 2.131 5.266 ( 2.307 3.320 -1.052) 4.177 5.503 ( -3.556 5.127 1.740) 6.478 5.610 ( 2.194 4.105 -2.230) 5.161 5.777 ( -2.172 0.221 1.353) 2.569 5.908 ( 5.378 -6.352 -1.756) 8.506 5.940 ( -1.814 -4.148 -1.643) 4.816 6.016 ( 2.410 -8.249 -2.511) 8.953 6.278 ( -0.045 0.775 0.438) 0.892 6.296 ( 0.947 -1.319 -2.418) 2.913 6.470 ( -1.986 2.665 0.104) 3.325 6.529 ( -2.436 -3.720 -0.076) 4.448 6.558 ( 1.134 4.390 -2.569) 5.211 6.600 ( 2.134 -1.194 0.710) 2.547 6.832 ( -1.993 11.275 2.308) 11.680 6.858 ( -0.200 6.201 -2.498) 6.688 7.025 ( -1.949 -5.224 1.958) 5.910 7.068 ( 1.724 -8.526 -1.837) 8.891 7.172 ( -0.646 0.861 0.159) 1.088 7.212 ( 1.517 -2.922 1.059) 3.458 7.546 ( 0.679 -0.951 -2.233) 2.521 7.572 ( 1.257 -4.406 1.885) 4.954 7.710 ( -2.808 6.781 0.927) 7.397 7.797 ( 1.071 2.294 -0.420) 2.566 7.912 ( -1.292 0.442 -0.650) 1.512 8.001 ( 1.560 -5.470 -1.745) 5.950 8.091 ( -1.685 1.716 1.696) 2.943 8.157 ( 1.281 -1.461 -1.729) 2.601 8.213 ( -0.169 -5.025 1.212) 5.172 8.260 ( 2.212 -4.859 -1.180) 5.467 8.549 ( -1.748 -3.105 2.310) 4.246 8.593 ( 1.265 -7.081 -2.438) 7.595 8.777 ( -3.658 3.092 -3.206) 5.763 8.837 ( -2.576 -3.346 -3.106) 5.242 8.981 ( 1.819 2.121 1.091) 3.000 9.027 ( 2.096 -3.190 2.403) 4.510 9.190 ( -2.024 -3.040 0.604) 3.701 9.206 ( -1.427 -3.976 -0.372) 4.241 9.594 ( 1.861 2.450 0.709) 3.157 9.618 ( 2.497 0.513 3.761) 4.543 9.837 ( -3.379 3.709 -0.244) 5.023 9.858 ( -3.014 1.967 1.590) 3.934 10.215 ( 0.353 4.863 -1.260) 5.036 10.234 ( 1.243 4.225 -0.734) 4.465 10.326 ( -1.513 -0.136 -3.159) 3.505 10.373 ( 0.577 -2.896 -3.605) 4.660 10.552 ( 2.822 2.375 0.984) 3.818 10.578 ( 3.363 -0.280 0.915) 3.497 10.732 ( -1.433 3.907 1.247) 4.344 10.800 ( 1.439 -0.769 0.554) 1.723 10.937 ( -0.559 7.442 -0.673) 7.494 11.028 ( 2.086 15.095 0.983) 15.270 11.069 ( -3.486 -4.647 -0.456) 5.828 11.253 ( 4.023 -4.663 -1.212) 6.277 11.371 ( -3.191 3.325 4.812) 6.663 11.422 ( -2.874 0.376 3.542) 4.576 11.454 ( -0.264 4.833 2.158) 5.300 11.544 ( 0.213 -5.291 -1.801) 5.593 11.606 ( 0.358 3.705 -4.002) 5.465 11.658 ( 0.228 -2.784 3.744) 4.671 11.779 ( 2.986 1.583 0.011) 3.380 11.790 ( 2.892 0.870 -0.663) 3.092 11.839 ( -0.187 -3.077 1.341) 3.361 11.883 ( 2.726 -6.779 -3.127) 7.947 12.209 ( -1.699 -2.918 -0.157) 3.380 12.229 ( -0.442 -4.564 -1.240) 4.750 12.435 ( -5.015 6.659 4.129) 9.303 12.495 ( -0.954 3.618 -3.357) 5.027 12.672 ( -2.860 0.012 -0.132) 2.863 12.706 ( -1.240 -3.626 -1.339) 4.059 12.987 ( -2.558 -3.424 1.193) 4.437 13.072 ( 0.628 -10.804 -2.433) 11.093 13.118 ( 0.919 -1.248 0.718) 1.708 13.149 ( 1.171 -4.418 1.048) 4.689 16.547 ( 0.152 3.880 -0.254) 3.891 16.590 ( 1.712 -0.510 3.536) 3.961 16.799 ( -1.694 1.366 -1.488) 2.637 16.855 ( 1.303 -4.573 -1.910) 5.125 17.515 ( -4.695 5.771 1.503) 7.590 17.643 ( -3.773 -5.810 2.822) 7.481 17.729 ( 5.412 6.632 -2.214) 8.841 17.832 ( 5.814 -2.237 -2.542) 6.729 18.175 ( -1.190 0.725 0.774) 1.594 18.188 ( -1.876 -0.682 1.522) 2.510 18.407 ( -7.698 12.726 -0.615) 14.886 18.534 ( -2.956 3.139 -2.734) 5.106 18.828 ( -2.281 6.517 -5.994) 9.143 18.913 ( 0.263 4.105 5.282) 6.695 18.950 ( -3.918 -5.380 6.425) 9.251 19.076 ( 1.945 -8.956 -3.698) 9.883 19.350 ( -9.203 5.728 0.564) 10.855 19.468 ( -4.891 -4.968 -3.269) 7.700 19.860 ( -15.497 0.161 0.844) 15.520 19.957 ( -16.943 -7.385 0.041) 18.483 20.390 ( 7.879 3.228 -1.172) 8.595 20.440 ( 7.473 0.175 1.131) 7.560 20.624 ( 13.739 2.090 -2.216) 14.072 20.694 ( 6.923 -2.829 4.027) 8.494 20.717 ( 4.983 2.124 -0.512) 5.441 20.764 ( 5.894 -3.482 -1.429) 6.993 20.870 ( 5.494 -1.029 0.885) 5.659 20.945 ( 14.647 -7.784 1.792) 16.684 21.659 ( -2.854 6.458 0.664) 7.092 21.667 ( -2.188 5.937 -1.949) 6.621 21.970 ( -3.502 -4.863 -4.224) 7.332 21.997 ( -3.094 -7.222 5.010) 9.318 22.797 ( -0.384 11.691 -2.589) 11.981 22.813 ( -0.443 10.453 2.205) 10.692 23.061 ( -0.996 -5.749 0.046) 5.835 23.068 ( -0.785 -5.996 0.841) 6.106 ======================= Grid point 111 (61/64) ======================= q-point: ( 0.33 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -4.183 11.573 0.979) 12.345 1.594 ( -1.789 14.365 -2.872) 14.758 1.722 ( -0.039 10.134 -8.193) 13.032 1.772 ( -2.713 -2.726 -0.897) 3.949 1.832 ( -3.073 -1.212 -2.752) 4.300 1.950 ( -3.368 1.925 -4.890) 6.242 1.986 ( -1.208 -8.829 -3.159) 9.454 2.073 ( -2.319 -3.355 0.490) 4.108 2.093 ( -2.925 0.385 2.198) 3.679 2.152 ( 0.125 -2.417 2.784) 3.689 2.260 ( -3.041 4.070 8.211) 9.656 2.309 ( -3.989 -1.132 4.188) 5.894 2.391 ( 3.862 3.021 0.516) 4.931 2.436 ( -2.429 -1.612 3.091) 4.249 2.450 ( -3.501 6.011 0.452) 6.971 2.480 ( -2.028 0.447 2.310) 3.106 2.541 ( 1.490 5.001 -2.378) 5.734 2.550 ( 1.804 -3.331 2.864) 4.749 2.615 ( 0.230 -4.692 -0.751) 4.757 2.667 ( 1.389 -6.104 2.210) 6.639 2.736 ( -1.233 -2.607 1.842) 3.422 2.751 ( -3.174 6.349 -4.310) 8.305 2.788 ( -0.708 -5.097 1.248) 5.295 2.870 ( -3.341 -4.782 -7.376) 9.404 2.931 ( 2.324 6.176 3.240) 7.351 3.050 ( -0.671 -3.406 3.213) 4.730 3.175 ( 0.250 6.720 -1.172) 6.826 3.219 ( 3.865 3.020 -0.333) 4.916 3.268 ( -1.661 7.136 -5.378) 9.089 3.375 ( -3.316 1.006 -0.479) 3.498 3.386 ( 2.476 -2.087 -3.289) 4.615 3.445 ( 2.614 -2.611 -3.838) 5.327 3.570 ( 3.679 2.243 -3.120) 5.320 3.625 ( -0.721 -0.709 -0.005) 1.011 3.792 ( -4.495 0.234 -0.103) 4.502 3.815 ( -3.665 -1.568 4.010) 5.654 3.932 ( 2.758 7.241 -0.587) 7.771 3.978 ( 0.789 3.056 -2.577) 4.075 4.050 ( -0.499 0.652 0.036) 0.822 4.086 ( 1.460 0.153 -1.660) 2.216 4.189 ( 2.231 6.553 2.746) 7.447 4.259 ( -1.330 -2.476 3.091) 4.178 4.273 ( -3.227 0.100 -2.024) 3.811 4.311 ( 0.695 3.074 2.028) 3.748 4.377 ( 3.857 2.308 -0.359) 4.509 4.492 ( 0.698 -5.268 0.183) 5.317 4.560 ( 1.154 9.735 0.506) 9.816 4.593 ( -0.511 6.742 2.740) 7.295 4.652 ( -0.365 5.876 -0.431) 5.903 4.701 ( 1.211 0.719 0.615) 1.536 4.761 ( -0.423 0.384 2.993) 3.047 4.770 ( -2.874 -0.093 -1.328) 3.167 4.943 ( -1.289 6.145 2.675) 6.825 4.988 ( 2.500 6.585 1.521) 7.206 5.086 ( -1.760 -2.785 6.075) 6.911 5.099 ( -0.712 0.627 2.325) 2.511 5.165 ( -0.261 10.504 0.030) 10.507 5.186 ( -1.209 2.614 4.880) 5.666 5.274 ( 2.474 -3.617 0.126) 4.384 5.329 ( 4.176 3.392 1.621) 5.619 5.485 ( -1.735 2.799 3.112) 4.531 5.613 ( 1.346 5.500 -3.062) 6.437 5.737 ( -2.293 3.163 -1.283) 4.112 5.858 ( -1.493 -3.373 -4.349) 5.703 5.980 ( 3.238 -10.396 -1.820) 11.039 6.039 ( 2.540 -9.008 -1.236) 9.440 6.247 ( -0.838 -4.658 -5.976) 7.623 6.271 ( 0.119 -2.095 -2.580) 3.326 6.471 ( 0.600 1.402 1.928) 2.458 6.505 ( 1.956 0.063 0.202) 1.967 6.562 ( 0.435 6.913 2.193) 7.266 6.647 ( 0.701 -0.830 1.127) 1.565 6.776 ( -4.883 12.235 -1.342) 13.242 6.802 ( -1.950 3.863 -4.020) 5.906 6.981 ( -1.036 -5.025 -1.243) 5.279 7.082 ( -0.887 -11.121 -0.504) 11.168 7.210 ( 1.657 1.103 4.511) 4.931 7.270 ( 2.363 -4.419 2.079) 5.425 7.531 ( 1.354 3.020 -3.877) 5.098 7.592 ( 0.413 -4.039 -1.498) 4.328 7.696 ( -1.577 5.222 3.740) 6.613 7.790 ( -0.021 -2.880 -0.872) 3.010 7.890 ( -0.938 5.935 -1.357) 6.160 7.954 ( -1.295 -0.992 -4.916) 5.179 8.099 ( -1.091 -0.455 2.771) 3.012 8.161 ( 1.032 -2.433 -1.682) 3.132 8.246 ( 2.377 -3.108 2.059) 4.421 8.299 ( 1.759 -5.036 1.798) 5.629 8.532 ( -2.380 -2.526 1.195) 3.671 8.578 ( 0.977 -6.346 -3.673) 7.397 8.682 ( -1.071 1.757 -5.091) 5.491 8.743 ( -2.057 -3.723 -5.041) 6.596 9.015 ( 1.417 3.740 0.040) 4.000 9.063 ( -0.740 -1.093 1.179) 1.769 9.151 ( -0.889 -4.316 -1.324) 4.601 9.169 ( -3.168 -5.457 0.849) 6.367 9.676 ( 3.273 4.446 3.878) 6.746 9.733 ( 3.120 -0.108 6.294) 7.026 9.787 ( -2.865 2.752 2.090) 4.489 9.823 ( -3.010 0.068 3.310) 4.474 10.197 ( -0.017 4.279 -3.165) 5.323 10.234 ( 0.594 0.714 -4.035) 4.140 10.255 ( -0.740 4.253 -3.095) 5.312 10.322 ( -0.496 -1.378 -4.349) 4.588 10.616 ( 2.640 1.999 -0.031) 3.312 10.631 ( 1.994 0.680 -0.805) 2.255 10.728 ( -1.043 4.814 2.033) 5.329 10.812 ( -0.399 -0.986 -0.312) 1.109 10.963 ( 2.772 3.282 0.621) 4.341 11.014 ( -1.801 3.350 0.869) 3.902 11.113 ( 2.420 11.026 4.816) 12.273 11.260 ( -0.930 0.384 0.087) 1.010 11.356 ( -2.994 2.691 1.253) 4.217 11.450 ( -0.657 -5.555 2.706) 6.214 11.495 ( 0.759 3.679 4.064) 5.534 11.524 ( -0.222 -0.687 2.361) 2.468 11.601 ( 2.137 3.443 -1.662) 4.380 11.700 ( -0.097 -1.640 3.218) 3.613 11.830 ( 2.621 -0.327 -2.365) 3.546 11.842 ( 1.832 -2.131 -1.093) 3.016 11.851 ( 2.300 -1.613 1.672) 3.269 11.911 ( 2.557 -6.788 -0.315) 7.260 12.159 ( -1.140 -2.246 -2.893) 3.836 12.195 ( -2.295 -5.604 -1.220) 6.177 12.370 ( -5.472 7.190 2.070) 9.269 12.427 ( -2.012 3.827 -3.383) 5.490 12.622 ( -2.021 -0.822 -0.056) 2.183 12.660 ( -1.622 -5.391 -1.557) 5.841 12.969 ( -1.164 -0.890 1.529) 2.118 13.040 ( -0.322 -5.262 -2.516) 5.842 13.148 ( 0.917 -4.817 0.493) 4.929 13.169 ( 0.207 -5.895 0.155) 5.901 16.568 ( 1.603 5.965 1.129) 6.279 16.661 ( 1.094 -3.340 3.565) 5.006 16.750 ( -1.982 3.109 -0.963) 3.811 16.844 ( 0.808 -6.518 -3.099) 7.262 17.491 ( -0.658 7.994 3.087) 8.595 17.630 ( -2.099 -2.960 3.005) 4.712 17.769 ( 2.175 7.553 -1.335) 7.973 17.892 ( 3.959 -2.314 -2.937) 5.446 18.093 ( -7.605 5.658 0.552) 9.495 18.193 ( 0.128 -2.752 0.632) 2.826 18.288 ( -2.799 2.737 -2.775) 4.799 18.368 ( -7.142 -4.036 -6.352) 10.376 18.773 ( 1.552 9.041 -2.702) 9.563 18.895 ( -6.623 -4.031 -0.041) 7.754 18.994 ( 2.737 7.963 5.918) 10.291 19.088 ( 2.816 5.485 1.053) 6.255 19.270 ( -4.655 4.138 3.080) 6.948 19.343 ( -4.978 -3.144 -1.912) 6.190 19.642 ( -8.140 -11.118 -1.008) 13.816 19.671 ( -11.875 -11.579 -1.916) 16.697 20.503 ( 5.793 2.963 -0.670) 6.541 20.555 ( 3.533 -1.364 0.493) 3.819 20.762 ( 3.899 2.322 3.287) 5.604 20.788 ( 1.211 -0.252 2.871) 3.126 20.850 ( 6.835 0.296 0.537) 6.863 20.892 ( 8.259 -3.740 -1.390) 9.172 21.051 ( 10.892 6.853 0.804) 12.893 21.236 ( 10.161 -10.776 0.290) 14.814 21.573 ( -0.472 6.862 -4.955) 8.477 21.626 ( -2.444 4.050 2.122) 5.185 21.850 ( -4.042 -1.835 -3.002) 5.359 21.969 ( -6.369 -10.998 4.169) 13.376 22.777 ( 0.878 13.510 -1.264) 13.597 22.816 ( -1.618 11.075 1.521) 11.295 23.045 ( -0.250 -6.627 -0.296) 6.639 23.061 ( -1.663 -6.679 1.367) 7.018 ======================= Grid point 112 (62/64) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -5.663 12.649 3.505) 14.296 1.545 ( 2.320 11.935 -5.102) 13.186 1.687 ( -7.135 7.082 -1.051) 10.108 1.710 ( 5.740 4.895 -3.208) 8.197 1.775 ( -1.675 -1.184 3.500) 4.057 1.860 ( 0.601 -4.075 -4.946) 6.436 1.961 ( 2.100 -7.211 -0.271) 7.515 1.989 ( -2.972 -5.673 -2.753) 6.971 2.149 ( 2.995 -0.915 2.094) 3.767 2.164 ( -0.717 -2.600 0.151) 2.702 2.312 ( -1.328 4.519 9.587) 10.682 2.372 ( -2.342 3.102 8.699) 9.528 2.408 ( -0.299 4.838 3.120) 5.765 2.422 ( -0.760 2.337 -0.061) 2.458 2.475 ( -1.623 4.042 -1.623) 4.648 2.486 ( 3.382 1.668 0.492) 3.802 2.513 ( 0.591 0.658 2.661) 2.804 2.581 ( -0.728 3.960 -7.301) 8.338 2.584 ( 0.023 -1.700 -1.711) 2.412 2.654 ( 2.127 -3.436 0.069) 4.042 2.729 ( 0.192 -2.526 -6.944) 7.392 2.742 ( -0.021 -4.199 -1.210) 4.370 2.777 ( 2.652 -7.459 -1.317) 8.025 2.786 ( 3.283 -6.636 -1.187) 7.498 3.016 ( 1.030 6.887 4.989) 8.567 3.083 ( -0.371 2.849 2.712) 3.951 3.132 ( -0.288 5.438 -2.407) 5.954 3.176 ( -2.484 1.543 -3.331) 4.433 3.288 ( -0.945 1.738 0.781) 2.127 3.334 ( 0.526 4.232 -0.066) 4.265 3.389 ( 2.060 -3.962 -1.858) 4.837 3.433 ( 0.538 -4.967 -4.021) 6.413 3.560 ( -6.954 5.511 2.644) 9.258 3.609 ( 2.078 2.054 -1.885) 3.477 3.754 ( -1.120 -0.865 1.979) 2.433 3.804 ( 4.648 -4.228 -2.211) 6.661 3.955 ( -2.648 8.209 3.096) 9.165 4.012 ( 0.582 3.619 2.426) 4.396 4.055 ( 0.995 3.284 -3.826) 5.139 4.084 ( 1.359 2.310 -3.647) 4.525 4.208 ( -2.854 5.387 4.317) 7.470 4.254 ( 1.564 6.863 -1.056) 7.117 4.287 ( -1.277 3.258 3.306) 4.814 4.341 ( 3.832 0.789 0.755) 3.984 4.424 ( 2.371 -4.146 0.212) 4.781 4.456 ( -2.731 -8.096 -2.497) 8.902 4.539 ( -0.434 4.176 -0.632) 4.246 4.585 ( -1.253 2.411 -5.078) 5.760 4.693 ( 2.105 5.840 3.729) 7.242 4.718 ( 0.074 5.405 0.776) 5.461 4.749 ( -0.077 4.145 2.491) 4.836 4.785 ( 0.314 0.446 -0.768) 0.942 4.951 ( -2.454 5.083 4.910) 7.481 5.021 ( 1.179 6.743 -1.643) 7.040 5.085 ( -2.589 4.450 3.476) 6.212 5.125 ( -1.281 -0.542 1.128) 1.791 5.206 ( -1.641 0.858 7.185) 7.420 5.217 ( 1.981 2.926 4.651) 5.841 5.296 ( 1.282 -1.891 -1.642) 2.813 5.371 ( 0.122 -6.844 -4.047) 7.952 5.495 ( -0.482 7.761 2.821) 8.272 5.579 ( 0.611 11.164 -5.511) 12.465 5.729 ( 0.671 2.552 3.541) 4.416 5.801 ( -0.026 0.124 -3.829) 3.831 5.999 ( 0.013 -10.321 -0.130) 10.321 6.046 ( 1.090 -5.329 -4.709) 7.195 6.170 ( -1.913 -10.369 0.464) 10.554 6.229 ( 0.487 -10.636 -4.487) 11.554 6.544 ( 1.906 7.718 4.460) 9.115 6.593 ( 5.130 5.585 0.634) 7.610 6.608 ( -0.368 1.115 2.095) 2.401 6.641 ( -2.335 11.251 -0.455) 11.500 6.657 ( -0.823 -0.244 -2.215) 2.376 6.707 ( -3.075 4.664 -3.943) 6.838 6.975 ( -1.904 -5.369 3.624) 6.752 7.048 ( 1.159 -10.681 -3.780) 11.389 7.293 ( 1.661 -1.212 3.245) 3.842 7.315 ( 0.809 -2.630 0.053) 2.752 7.510 ( -0.181 1.008 -0.916) 1.374 7.554 ( -1.208 -2.837 -3.609) 4.747 7.732 ( -0.352 3.529 5.326) 6.398 7.793 ( -0.174 -2.677 -0.330) 2.703 7.849 ( 0.591 6.015 -2.308) 6.470 7.879 ( -0.190 1.432 -4.907) 5.115 8.117 ( -0.372 -1.712 2.402) 2.973 8.150 ( 0.245 -3.482 -1.548) 3.818 8.325 ( 1.110 -2.430 3.188) 4.160 8.342 ( 0.946 -2.268 0.959) 2.638 8.502 ( -3.008 -0.622 2.354) 3.870 8.538 ( -1.700 -4.107 -1.926) 4.844 8.643 ( 2.581 -2.528 -3.667) 5.148 8.657 ( -0.959 -3.576 -4.802) 6.064 9.037 ( -0.395 2.664 0.523) 2.744 9.045 ( 0.286 2.383 -0.425) 2.437 9.130 ( -1.777 -5.953 0.941) 6.284 9.141 ( 0.947 -5.580 -0.500) 5.682 9.758 ( 0.437 4.571 2.437) 5.198 9.765 ( -0.714 3.849 1.850) 4.330 9.847 ( -0.087 -1.736 4.382) 4.714 9.852 ( 2.344 -1.997 3.694) 4.809 10.147 ( -0.656 4.404 -2.900) 5.313 10.164 ( -0.496 2.472 -4.670) 5.307 10.247 ( 0.657 2.715 -1.156) 3.023 10.274 ( 0.507 0.609 -3.849) 3.930 10.634 ( -0.524 1.572 -0.216) 1.671 10.634 ( -0.618 1.789 -0.036) 1.893 10.750 ( 0.876 3.607 2.203) 4.316 10.793 ( 0.337 0.376 -2.251) 2.307 10.997 ( -1.720 3.754 1.359) 4.347 11.015 ( 2.188 0.606 -0.435) 2.311 11.217 ( 2.891 5.666 3.727) 7.372 11.241 ( -1.893 0.537 0.360) 2.001 11.332 ( -1.828 6.735 3.458) 7.789 11.405 ( -1.185 5.863 -3.124) 6.748 11.569 ( 2.142 0.839 3.038) 3.811 11.588 ( 0.141 -2.773 1.480) 3.147 11.627 ( 0.684 3.310 4.275) 5.449 11.705 ( -0.641 -0.902 -2.010) 2.295 11.823 ( -1.981 -5.709 0.127) 6.044 11.838 ( 0.297 -6.635 -0.552) 6.665 11.932 ( 2.756 -0.523 0.336) 2.825 11.941 ( 0.222 -1.904 0.036) 1.917 12.108 ( -3.016 -2.600 -0.430) 4.005 12.151 ( 3.527 -5.705 -4.647) 8.160 12.313 ( -3.827 6.523 3.297) 8.250 12.375 ( 1.325 3.861 -2.981) 5.055 12.600 ( -1.485 -2.861 1.332) 3.488 12.635 ( 1.662 -4.317 -2.213) 5.128 12.974 ( -0.787 0.185 2.096) 2.246 13.012 ( 0.456 -2.472 -2.226) 3.357 13.157 ( -0.728 -5.242 0.624) 5.329 13.169 ( 0.620 -7.312 -0.639) 7.366 16.606 ( -2.599 4.925 4.088) 6.908 16.676 ( 0.179 1.304 -1.410) 1.929 16.736 ( -0.258 -0.570 2.591) 2.665 16.830 ( 3.582 -6.873 -5.492) 9.499 17.543 ( -0.435 9.512 4.922) 10.719 17.610 ( -0.017 6.347 -1.243) 6.468 17.815 ( 2.424 -0.967 1.829) 3.187 17.876 ( -1.831 -4.570 -3.741) 6.183 18.046 ( 1.791 6.793 2.737) 7.540 18.126 ( -2.401 1.946 -4.641) 5.575 18.245 ( 0.484 -3.969 -0.931) 4.105 18.253 ( -1.651 -3.036 -1.954) 3.970 18.782 ( -5.643 3.840 1.295) 6.947 18.798 ( 2.838 2.824 -0.297) 4.015 19.155 ( 7.401 9.461 3.392) 12.482 19.181 ( -5.993 7.763 0.915) 9.850 19.187 ( 6.782 5.350 1.367) 8.745 19.236 ( -3.656 4.936 -4.221) 7.453 19.542 ( -0.589 -20.125 0.094) 20.134 19.555 ( -0.751 -18.986 -1.232) 19.040 20.574 ( -0.718 1.392 0.781) 1.750 20.586 ( 1.314 0.411 -0.458) 1.451 20.807 ( -1.022 1.741 2.960) 3.583 20.829 ( 0.900 -0.372 0.495) 1.092 20.957 ( 0.240 1.536 1.744) 2.336 20.990 ( 2.109 -1.387 -1.333) 2.854 21.171 ( 3.582 0.721 0.649) 3.711 21.223 ( -4.345 -3.908 -4.459) 7.351 21.577 ( -8.536 9.390 2.352) 12.906 21.609 ( 7.380 8.532 -1.277) 11.353 21.854 ( -7.279 -11.272 1.709) 13.526 21.875 ( 7.077 -11.205 -0.568) 13.265 22.791 ( -1.800 12.994 0.420) 13.125 22.802 ( 2.679 13.180 -0.781) 13.473 23.040 ( -1.762 -7.060 1.231) 7.380 23.055 ( 1.335 -7.362 -0.381) 7.492 ======================= Grid point 113 (63/64) ======================= q-point: (-0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -0.966 18.037 5.744) 18.954 1.571 ( 0.518 12.208 2.474) 12.467 1.589 ( -2.218 16.143 3.660) 16.701 1.790 ( -1.055 -1.425 0.976) 2.024 1.798 ( 3.588 -10.864 0.897) 11.477 1.887 ( 5.964 2.299 -0.865) 6.450 1.940 ( 0.707 -9.842 0.440) 9.877 2.044 ( 4.637 -5.516 1.654) 7.394 2.153 ( 1.943 0.489 -2.891) 3.518 2.196 ( 1.551 -3.579 -1.929) 4.351 2.344 ( -1.364 3.363 2.313) 4.303 2.386 ( -3.838 -0.103 2.381) 4.518 2.400 ( -0.148 5.825 -0.364) 5.839 2.439 ( 0.656 7.272 0.799) 7.345 2.472 ( 2.105 0.482 -0.561) 2.231 2.515 ( 1.566 1.957 -4.412) 5.074 2.557 ( 2.040 -1.030 0.011) 2.285 2.582 ( -0.338 2.209 1.333) 2.602 2.592 ( 2.535 -2.755 -1.120) 3.907 2.657 ( 6.023 -2.290 -2.314) 6.847 2.711 ( -0.356 -2.565 -0.546) 2.647 2.774 ( 4.907 -5.968 1.942) 7.967 2.810 ( 5.029 -3.133 -5.325) 7.966 2.846 ( 5.092 -5.534 -4.851) 8.949 3.002 ( -2.557 9.741 -1.188) 10.141 3.077 ( -1.071 3.700 -0.378) 3.870 3.137 ( -0.851 0.673 1.383) 1.758 3.173 ( -0.698 11.141 0.421) 11.170 3.231 ( -1.165 -1.486 3.650) 4.110 3.323 ( -3.406 1.226 1.099) 3.783 3.384 ( -2.545 -6.605 0.180) 7.081 3.413 ( 1.118 -2.157 -2.359) 3.386 3.503 ( -1.807 4.281 3.800) 6.003 3.621 ( -0.095 -4.187 1.840) 4.575 3.804 ( 4.139 3.427 -1.486) 5.576 3.881 ( 5.780 -1.809 -2.559) 6.575 3.909 ( -5.259 6.168 2.403) 8.454 3.961 ( -4.724 3.666 -1.312) 6.122 4.014 ( -1.427 3.652 2.338) 4.565 4.087 ( 1.008 -2.705 -1.310) 3.170 4.196 ( -2.096 7.268 1.104) 7.645 4.299 ( 2.900 3.660 -3.693) 5.954 4.308 ( 0.288 3.725 2.977) 4.777 4.359 ( 1.068 -1.215 -5.791) 6.013 4.371 ( -2.201 2.813 -1.095) 3.736 4.503 ( 2.691 -5.193 -0.879) 5.914 4.538 ( -0.125 1.745 0.219) 1.763 4.582 ( 2.600 2.382 5.728) 6.726 4.672 ( -1.196 5.494 -3.735) 6.750 4.720 ( -2.850 0.472 -0.121) 2.891 4.772 ( 2.239 6.922 -0.422) 7.287 4.788 ( 0.526 3.613 -0.405) 3.673 4.958 ( -2.567 8.980 2.842) 9.763 5.013 ( 0.635 2.835 -2.082) 3.574 5.093 ( -1.436 3.659 3.152) 5.039 5.120 ( -1.126 4.230 2.654) 5.119 5.199 ( -3.152 -1.218 0.767) 3.466 5.257 ( -0.403 -4.921 -3.861) 6.267 5.294 ( 0.642 -1.213 -4.782) 4.975 5.344 ( 0.439 -5.248 2.337) 5.762 5.531 ( 1.274 12.554 -0.298) 12.622 5.563 ( 1.791 8.058 0.302) 8.260 5.711 ( -1.730 7.489 -0.307) 7.692 5.828 ( 3.179 -6.558 -0.400) 7.299 5.946 ( -3.348 -1.245 1.011) 3.712 6.033 ( -0.425 -7.571 -0.816) 7.627 6.177 ( -0.689 -10.797 2.459) 11.095 6.224 ( 2.053 -11.336 0.044) 11.520 6.500 ( -4.131 10.195 -0.862) 11.033 6.529 ( -2.611 2.159 -2.587) 4.263 6.613 ( -2.738 6.711 -2.429) 7.644 6.678 ( 3.595 -2.019 -0.293) 4.133 6.714 ( 4.636 2.830 2.409) 5.942 6.743 ( 3.940 6.272 3.494) 8.189 6.955 ( -2.808 -4.124 1.515) 5.214 7.075 ( 3.219 -7.464 -0.136) 8.129 7.277 ( -1.726 0.811 -2.998) 3.553 7.331 ( 0.801 -3.978 -2.737) 4.894 7.490 ( -1.970 -0.638 -0.649) 2.170 7.522 ( -1.267 -3.515 4.664) 5.976 7.751 ( -1.206 4.094 -2.186) 4.795 7.791 ( 1.004 -0.648 2.838) 3.079 7.856 ( 1.671 4.121 -0.606) 4.488 7.892 ( 3.200 -0.956 0.711) 3.414 8.122 ( -0.961 -1.430 0.950) 1.967 8.148 ( 0.928 -2.916 -0.960) 3.207 8.286 ( -3.880 0.255 -2.430) 4.586 8.355 ( -0.813 -5.156 -2.888) 5.965 8.487 ( -2.664 -2.376 6.010) 6.991 8.520 ( -0.873 -4.700 3.147) 5.723 8.625 ( 1.241 0.213 -0.353) 1.307 8.685 ( 3.682 -4.708 0.216) 5.981 9.014 ( -1.590 3.486 0.068) 3.832 9.075 ( 1.837 1.505 -0.153) 2.380 9.126 ( -0.250 -5.004 1.338) 5.185 9.175 ( 2.860 -5.615 0.073) 6.302 9.731 ( -2.138 5.598 -1.164) 6.105 9.809 ( 0.307 -0.813 0.079) 0.873 9.843 ( 0.198 1.078 -3.491) 3.659 9.888 ( 1.295 -1.942 -2.555) 3.461 10.143 ( 0.727 4.635 1.693) 4.988 10.159 ( 1.522 2.543 2.347) 3.780 10.230 ( -0.588 3.509 -0.673) 3.621 10.270 ( 1.033 -0.568 0.182) 1.193 10.608 ( -2.287 2.082 0.731) 3.178 10.617 ( -1.619 1.249 0.745) 2.176 10.777 ( 1.193 3.007 -2.738) 4.238 10.800 ( 1.998 1.883 0.944) 2.903 10.972 ( -1.664 3.349 -0.464) 3.768 11.034 ( 1.215 -0.477 -0.880) 1.575 11.187 ( -2.801 7.070 -2.894) 8.137 11.254 ( -1.069 -1.340 0.404) 1.761 11.361 ( 1.308 9.111 2.548) 9.551 11.413 ( 1.588 5.380 2.785) 6.263 11.559 ( -0.947 2.150 -2.107) 3.156 11.604 ( -0.054 -2.016 -1.783) 2.692 11.622 ( -1.660 -0.056 -4.440) 4.740 11.713 ( 0.804 -0.408 2.290) 2.461 11.783 ( -3.070 -3.623 2.017) 5.159 11.819 ( -3.096 -7.041 0.886) 7.742 11.885 ( -2.481 -1.515 -2.080) 3.575 11.940 ( -0.507 -5.922 -3.005) 6.660 12.103 ( 1.355 2.412 2.035) 3.435 12.204 ( 5.077 -8.634 -2.191) 10.253 12.322 ( -0.353 8.279 5.441) 9.913 12.417 ( 4.741 2.080 -0.483) 5.200 12.601 ( 0.216 -1.583 1.128) 1.955 12.664 ( 3.526 -3.874 -1.464) 5.439 12.977 ( -0.651 -1.053 1.045) 1.620 13.014 ( 1.043 -3.302 -0.212) 3.470 13.146 ( -0.938 -4.858 0.543) 4.977 13.175 ( 0.501 -6.564 -0.495) 6.602 16.558 ( -4.607 6.520 2.127) 8.262 16.662 ( -3.108 -3.129 2.137) 4.901 16.782 ( 4.019 0.245 -1.724) 4.380 16.847 ( 4.055 -5.690 -4.381) 8.247 17.529 ( -1.422 9.139 0.037) 9.249 17.649 ( 1.949 3.081 0.551) 3.687 17.790 ( -2.360 -1.533 -3.555) 4.534 17.844 ( -2.252 -2.231 1.676) 3.586 18.116 ( 7.313 6.934 -1.666) 10.215 18.182 ( -0.720 4.043 5.194) 6.621 18.224 ( 5.469 -2.257 -1.304) 6.058 18.286 ( 4.453 -4.856 2.951) 7.219 18.724 ( -3.662 9.275 2.748) 10.343 18.862 ( 2.565 -2.496 2.064) 4.131 19.098 ( -3.241 6.965 -0.333) 7.690 19.127 ( 0.969 6.902 -6.520) 9.544 19.298 ( 6.287 2.740 0.930) 6.920 19.362 ( 8.924 -3.264 -4.254) 10.411 19.615 ( 8.688 -12.389 2.050) 15.270 19.626 ( 8.818 -12.734 2.188) 15.643 20.499 ( -6.258 3.562 -0.137) 7.202 20.565 ( -3.858 -2.619 -0.496) 4.690 20.792 ( -5.092 5.119 0.244) 7.224 20.837 ( -0.112 -0.281 -0.945) 0.992 20.869 ( -8.091 -0.645 -0.307) 8.123 20.890 ( -6.831 -1.681 -2.869) 7.597 21.088 ( -8.220 3.832 -2.917) 9.527 21.221 ( -4.860 -8.426 1.864) 9.905 21.486 ( -2.336 8.310 4.029) 9.525 21.636 ( -3.677 -4.813 0.571) 6.084 21.821 ( 5.459 5.582 0.511) 7.824 22.022 ( 7.262 -12.200 -1.549) 14.282 22.765 ( -1.006 13.828 0.146) 13.865 22.849 ( 3.403 10.109 -1.917) 10.837 23.029 ( -0.687 -6.090 1.349) 6.276 23.083 ( 2.050 -6.682 -0.729) 7.028 ======================= Grid point 114 (64/64) ======================= q-point: (-0.17 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 1.361 19.635 6.927) 20.866 1.607 ( -1.449 14.890 9.012) 17.465 1.676 ( 1.756 18.160 4.302) 18.745 1.805 ( 0.515 -5.854 5.740) 8.215 1.866 ( 3.735 -7.243 0.563) 8.169 1.968 ( 1.820 4.960 1.290) 5.438 2.007 ( 3.739 -11.079 1.879) 11.843 2.127 ( 2.935 -5.301 -0.551) 6.084 2.162 ( 2.123 1.031 -3.287) 4.047 2.196 ( 3.298 -2.114 -2.524) 4.660 2.296 ( -3.733 1.187 -2.626) 4.716 2.310 ( -4.700 -1.248 -0.978) 4.960 2.443 ( 0.623 0.704 -7.342) 7.402 2.453 ( 2.858 4.007 0.875) 4.999 2.497 ( -0.284 -2.153 -0.534) 2.236 2.531 ( 3.993 -4.830 -0.614) 6.297 2.537 ( 2.436 3.323 0.870) 4.211 2.593 ( 1.772 3.917 -1.760) 4.645 2.628 ( 2.481 -2.863 -1.096) 3.943 2.703 ( 2.269 -6.648 -0.858) 7.076 2.760 ( 0.441 3.245 1.726) 3.702 2.822 ( 0.783 -1.447 -3.931) 4.261 2.829 ( 3.360 -1.400 -6.688) 7.614 2.865 ( -0.296 -2.039 -0.623) 2.152 2.975 ( 2.168 3.606 -2.151) 4.726 3.047 ( -2.518 -1.215 0.558) 2.851 3.113 ( -1.290 10.586 2.068) 10.863 3.161 ( -2.070 3.570 4.116) 5.829 3.294 ( -1.425 -3.084 1.042) 3.554 3.313 ( -0.586 3.934 1.889) 4.403 3.335 ( 3.574 0.834 1.726) 4.055 3.478 ( 3.574 -5.366 4.567) 7.901 3.528 ( 1.361 3.991 1.409) 4.446 3.633 ( 0.797 -4.098 -0.451) 4.199 3.813 ( -5.731 6.548 0.727) 8.732 3.840 ( 0.300 4.911 0.619) 4.959 3.905 ( -2.597 -2.327 4.082) 5.368 3.945 ( 2.237 -3.407 -2.040) 4.558 4.061 ( -0.079 3.978 3.956) 5.611 4.122 ( 2.424 -1.479 1.361) 3.149 4.135 ( -0.893 6.604 -3.705) 7.625 4.240 ( -6.040 -1.283 -1.934) 6.471 4.323 ( 2.355 6.742 -2.367) 7.523 4.345 ( 3.123 0.133 -1.144) 3.329 4.360 ( 1.663 2.194 -0.852) 2.881 4.488 ( -0.528 -2.854 -2.662) 3.938 4.543 ( -1.680 4.644 -1.982) 5.321 4.630 ( 0.883 2.276 -1.211) 2.725 4.657 ( -2.024 1.704 -1.445) 3.015 4.669 ( 0.776 3.963 0.900) 4.137 4.784 ( 0.480 4.624 -1.452) 4.870 4.818 ( 1.804 2.003 -0.692) 2.783 4.927 ( -1.702 7.834 1.303) 8.122 4.981 ( -1.127 2.674 -1.955) 3.499 5.088 ( -1.582 1.121 2.135) 2.884 5.118 ( -2.174 2.860 -2.424) 4.333 5.144 ( -1.834 1.495 2.036) 3.122 5.209 ( -0.725 -2.350 -4.558) 5.179 5.250 ( -2.263 1.651 -2.328) 3.642 5.304 ( -0.013 1.291 -4.216) 4.409 5.546 ( 2.495 7.433 -2.700) 8.293 5.575 ( -1.212 6.972 1.435) 7.221 5.761 ( 2.206 2.873 3.567) 5.084 5.868 ( 0.484 -1.303 1.723) 2.213 5.933 ( 0.628 -8.755 -0.182) 8.779 5.991 ( -2.069 -6.684 -0.228) 7.001 6.214 ( -0.157 -3.438 4.811) 5.915 6.251 ( -0.125 -3.008 1.560) 3.391 6.485 ( 0.284 3.654 3.240) 4.892 6.490 ( 0.866 0.259 -1.224) 1.522 6.554 ( -1.475 6.086 -1.181) 6.372 6.680 ( 1.255 -5.268 -5.827) 7.955 6.800 ( 1.193 1.462 2.686) 3.282 6.851 ( 3.945 11.273 1.351) 12.020 6.930 ( -3.067 -2.908 4.286) 6.019 7.121 ( 1.633 -7.337 -0.429) 7.529 7.210 ( -1.149 2.131 -3.271) 4.069 7.281 ( 0.393 -3.926 -6.281) 7.418 7.482 ( -1.043 -0.275 3.364) 3.533 7.551 ( -1.558 -5.477 4.275) 7.121 7.727 ( 0.672 6.182 -0.823) 6.272 7.817 ( 1.110 -1.235 -2.306) 2.841 7.896 ( 1.030 2.441 2.203) 3.446 7.957 ( 1.756 -3.353 1.874) 4.224 8.123 ( -1.137 -0.842 2.002) 2.451 8.138 ( 0.761 0.943 -3.338) 3.551 8.208 ( -1.922 -3.087 0.634) 3.691 8.281 ( -2.117 -7.308 -2.893) 8.140 8.524 ( -1.105 -3.053 4.955) 5.924 8.555 ( 0.555 -5.309 2.673) 5.969 8.693 ( 3.268 1.843 4.625) 5.956 8.768 ( 3.320 -5.463 3.142) 7.123 8.977 ( -2.617 4.783 -0.031) 5.452 9.077 ( -0.729 -3.776 -1.669) 4.192 9.153 ( 0.783 -0.290 2.138) 2.295 9.225 ( 2.326 -5.641 -0.395) 6.115 9.653 ( -2.377 4.583 -4.509) 6.854 9.720 ( -2.952 -2.029 -6.249) 7.202 9.851 ( 2.131 3.944 -1.910) 4.873 9.898 ( 2.680 -0.312 -2.201) 3.482 10.180 ( 0.141 4.493 2.013) 4.926 10.199 ( -0.227 3.060 2.715) 4.097 10.266 ( 2.652 1.249 3.175) 4.321 10.303 ( 0.352 -1.365 3.244) 3.537 10.570 ( -1.999 2.481 -0.705) 3.263 10.591 ( -1.825 0.093 -0.417) 1.874 10.765 ( 0.557 4.163 -2.067) 4.681 10.825 ( 0.117 -0.533 -1.595) 1.685 10.939 ( 0.033 7.324 -0.934) 7.384 11.061 ( 2.877 1.533 -1.440) 3.564 11.092 ( -2.313 6.530 -3.059) 7.573 11.230 ( -2.812 -2.008 1.046) 3.610 11.410 ( 1.691 5.956 0.218) 6.195 11.442 ( -2.371 1.602 2.249) 3.639 11.534 ( -3.757 1.257 -1.336) 4.181 11.551 ( 0.840 -0.467 -1.310) 1.625 11.560 ( 3.034 0.632 -5.469) 6.286 11.711 ( -1.577 -3.128 -0.404) 3.526 11.762 ( -1.691 0.013 0.836) 1.886 11.776 ( -2.115 -0.512 0.879) 2.347 11.835 ( -2.002 -4.486 0.561) 4.944 11.898 ( 0.700 -7.347 -3.881) 8.338 12.162 ( 1.403 1.847 2.994) 3.787 12.249 ( 2.336 -7.801 -1.753) 8.330 12.401 ( 0.631 7.369 5.876) 9.446 12.496 ( 3.997 1.227 -0.813) 4.259 12.636 ( 1.678 0.731 1.940) 2.667 12.712 ( 2.878 -2.790 -1.034) 4.140 12.989 ( 0.915 -3.773 0.908) 3.987 13.030 ( -0.268 -7.406 1.647) 7.592 13.133 ( -0.673 -2.543 -0.601) 2.698 13.169 ( -0.394 -5.566 -1.039) 5.675 16.520 ( -2.278 6.335 2.370) 7.138 16.620 ( -3.241 -3.601 0.762) 4.904 16.818 ( 3.315 0.089 -3.322) 4.694 16.862 ( 1.798 -4.515 -2.836) 5.627 17.542 ( 3.528 7.402 -0.777) 8.236 17.669 ( -1.618 1.938 2.100) 3.284 17.719 ( -0.313 -2.427 -3.337) 4.138 17.792 ( -4.984 -2.509 1.374) 5.746 18.168 ( -1.047 2.386 1.663) 3.091 18.200 ( 0.939 -1.000 0.268) 1.398 18.390 ( 10.295 7.590 0.906) 12.823 18.473 ( 7.120 0.949 3.759) 8.107 18.710 ( -1.757 10.842 4.894) 12.025 18.915 ( -0.038 -3.928 3.045) 4.970 19.045 ( -1.093 3.915 -2.566) 4.807 19.123 ( 4.433 -6.075 -6.334) 9.833 19.404 ( 6.557 1.399 -2.924) 7.315 19.434 ( 7.099 -5.495 -2.041) 9.206 19.859 ( 15.918 -0.619 0.715) 15.947 19.922 ( 16.994 -5.759 3.866) 18.355 20.378 ( -6.632 3.336 0.160) 7.426 20.453 ( -7.629 -3.102 -0.302) 8.241 20.604 ( -14.898 8.206 0.259) 17.010 20.720 ( -7.029 1.320 -1.110) 7.238 20.746 ( -6.402 -3.889 -0.144) 7.492 20.772 ( -6.790 -3.046 -3.005) 8.026 20.914 ( -4.687 -0.291 -3.547) 5.885 20.994 ( -12.857 -8.530 -3.406) 15.801 21.558 ( 1.556 7.530 6.464) 10.045 21.663 ( 2.144 -1.156 3.078) 3.925 21.918 ( 3.665 4.361 0.893) 5.766 22.084 ( 3.296 -10.447 -3.886) 11.623 22.764 ( 0.138 13.167 1.018) 13.207 22.865 ( 1.700 7.122 -3.389) 8.068 23.043 ( 0.236 -4.378 1.289) 4.570 23.100 ( 1.170 -5.822 -1.612) 6.153 =================== 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 3/35280 10.0 114.006 120.234 124.629 0.000 15.106 0.000 3/35280 20.0 19.180 32.719 24.531 0.000 3.406 0.000 3/35280 30.0 7.910 15.216 10.512 0.000 1.448 0.000 3/35280 40.0 4.646 9.205 6.184 0.000 0.829 0.000 3/35280 50.0 3.228 6.487 4.278 0.000 0.556 0.000 3/35280 60.0 2.459 4.999 3.248 0.000 0.412 0.000 3/35280 70.0 1.984 4.073 2.614 0.000 0.324 0.000 3/35280 80.0 1.662 3.445 2.188 0.000 0.266 0.000 3/35280 90.0 1.431 2.991 1.883 0.000 0.226 0.000 3/35280 100.0 1.258 2.648 1.654 0.000 0.196 0.000 3/35280 110.0 1.123 2.380 1.477 0.000 0.173 0.000 3/35280 120.0 1.015 2.165 1.335 0.000 0.155 0.000 3/35280 130.0 0.928 1.989 1.219 0.000 0.141 0.000 3/35280 140.0 0.855 1.842 1.122 0.000 0.129 0.000 3/35280 150.0 0.794 1.717 1.041 0.000 0.119 0.000 3/35280 160.0 0.742 1.610 0.970 0.000 0.110 0.000 3/35280 170.0 0.697 1.517 0.910 0.000 0.103 0.000 3/35280 180.0 0.658 1.436 0.856 0.000 0.097 0.000 3/35280 190.0 0.623 1.364 0.809 0.000 0.091 0.000 3/35280 200.0 0.593 1.299 0.767 0.000 0.086 0.000 3/35280 210.0 0.565 1.241 0.730 0.000 0.082 0.000 3/35280 220.0 0.541 1.189 0.696 0.000 0.078 0.000 3/35280 230.0 0.518 1.141 0.665 0.000 0.074 0.000 3/35280 240.0 0.498 1.097 0.637 0.000 0.071 0.000 3/35280 250.0 0.480 1.057 0.611 0.000 0.068 0.000 3/35280 260.0 0.462 1.020 0.588 0.000 0.065 0.000 3/35280 270.0 0.447 0.986 0.566 0.000 0.063 0.000 3/35280 280.0 0.432 0.954 0.546 0.000 0.061 0.000 3/35280 290.0 0.418 0.924 0.527 0.000 0.059 0.000 3/35280 300.0 0.406 0.896 0.510 0.000 0.057 0.000 3/35280 310.0 0.394 0.870 0.493 0.000 0.055 0.000 3/35280 320.0 0.382 0.846 0.478 0.000 0.053 0.000 3/35280 330.0 0.372 0.822 0.464 0.000 0.052 0.000 3/35280 340.0 0.362 0.800 0.450 0.000 0.050 0.000 3/35280 350.0 0.353 0.780 0.437 0.000 0.049 0.000 3/35280 360.0 0.344 0.760 0.425 0.000 0.047 0.000 3/35280 370.0 0.335 0.741 0.414 0.000 0.046 0.000 3/35280 380.0 0.327 0.724 0.403 0.000 0.045 0.000 3/35280 390.0 0.319 0.707 0.393 0.000 0.044 0.000 3/35280 400.0 0.312 0.690 0.383 0.000 0.043 0.000 3/35280 410.0 0.305 0.675 0.374 0.000 0.042 0.000 3/35280 420.0 0.298 0.660 0.365 0.000 0.041 0.000 3/35280 430.0 0.292 0.646 0.357 0.000 0.040 0.000 3/35280 440.0 0.286 0.633 0.349 0.000 0.039 0.000 3/35280 450.0 0.280 0.620 0.341 0.000 0.038 0.000 3/35280 460.0 0.274 0.607 0.334 0.000 0.037 0.000 3/35280 470.0 0.269 0.595 0.327 0.000 0.036 0.000 3/35280 480.0 0.264 0.584 0.320 0.000 0.036 0.000 3/35280 490.0 0.259 0.573 0.314 0.000 0.035 0.000 3/35280 500.0 0.254 0.562 0.308 0.000 0.034 0.000 3/35280 510.0 0.249 0.552 0.302 0.000 0.034 0.000 3/35280 520.0 0.245 0.542 0.296 0.000 0.033 0.000 3/35280 530.0 0.240 0.532 0.290 0.000 0.032 0.000 3/35280 540.0 0.236 0.523 0.285 0.000 0.032 0.000 3/35280 550.0 0.232 0.514 0.280 0.000 0.031 0.000 3/35280 560.0 0.228 0.505 0.275 0.000 0.031 0.000 3/35280 570.0 0.225 0.497 0.270 0.000 0.030 0.000 3/35280 580.0 0.221 0.489 0.266 0.000 0.030 0.000 3/35280 590.0 0.217 0.481 0.261 0.000 0.029 0.000 3/35280 600.0 0.214 0.473 0.257 0.000 0.029 0.000 3/35280 610.0 0.211 0.466 0.253 0.000 0.028 0.000 3/35280 620.0 0.207 0.459 0.249 0.000 0.028 0.000 3/35280 630.0 0.204 0.452 0.245 0.000 0.027 0.000 3/35280 640.0 0.201 0.445 0.241 0.000 0.027 0.000 3/35280 650.0 0.198 0.439 0.237 0.000 0.027 0.000 3/35280 660.0 0.195 0.432 0.234 0.000 0.026 0.000 3/35280 670.0 0.193 0.426 0.230 0.000 0.026 0.000 3/35280 680.0 0.190 0.420 0.227 0.000 0.025 0.000 3/35280 690.0 0.187 0.415 0.224 0.000 0.025 0.000 3/35280 700.0 0.185 0.409 0.221 0.000 0.025 0.000 3/35280 710.0 0.182 0.403 0.218 0.000 0.024 0.000 3/35280 720.0 0.180 0.398 0.215 0.000 0.024 0.000 3/35280 730.0 0.177 0.393 0.212 0.000 0.024 0.000 3/35280 740.0 0.175 0.388 0.209 0.000 0.023 0.000 3/35280 750.0 0.173 0.383 0.206 0.000 0.023 0.000 3/35280 760.0 0.171 0.378 0.203 0.000 0.023 0.000 3/35280 770.0 0.169 0.373 0.201 0.000 0.022 0.000 3/35280 780.0 0.167 0.368 0.198 0.000 0.022 0.000 3/35280 790.0 0.164 0.364 0.196 0.000 0.022 0.000 3/35280 800.0 0.162 0.360 0.193 0.000 0.022 0.000 3/35280 810.0 0.161 0.355 0.191 0.000 0.021 0.000 3/35280 820.0 0.159 0.351 0.189 0.000 0.021 0.000 3/35280 830.0 0.157 0.347 0.186 0.000 0.021 0.000 3/35280 840.0 0.155 0.343 0.184 0.000 0.021 0.000 3/35280 850.0 0.153 0.339 0.182 0.000 0.020 0.000 3/35280 860.0 0.152 0.335 0.180 0.000 0.020 0.000 3/35280 870.0 0.150 0.332 0.178 0.000 0.020 0.000 3/35280 880.0 0.148 0.328 0.176 0.000 0.020 0.000 3/35280 890.0 0.147 0.324 0.174 0.000 0.019 0.000 3/35280 900.0 0.145 0.321 0.172 0.000 0.019 0.000 3/35280 910.0 0.143 0.317 0.170 0.000 0.019 0.000 3/35280 920.0 0.142 0.314 0.168 0.000 0.019 0.000 3/35280 930.0 0.140 0.311 0.166 0.000 0.019 0.000 3/35280 940.0 0.139 0.308 0.165 0.000 0.018 0.000 3/35280 950.0 0.138 0.304 0.163 0.000 0.018 0.000 3/35280 960.0 0.136 0.301 0.161 0.000 0.018 0.000 3/35280 970.0 0.135 0.298 0.160 0.000 0.018 0.000 3/35280 980.0 0.133 0.295 0.158 0.000 0.018 0.000 3/35280 990.0 0.132 0.292 0.156 0.000 0.018 0.000 3/35280 1000.0 0.131 0.290 0.155 0.000 0.017 0.000 3/35280 Thermal conductivity related properties were written into "kappa-m675.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:46:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|