----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:47:33]------------------------- 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 13.875000690027692 0.000000000000000 0.000000000000000 b 0.000000000000000 5.469823249999999 0.000000000000000 c -6.704485899886310 0.000000000000000 11.947980864498792 Atomic positions (fractional): *1 Na 0.07630640446035 0.73445454670536 0.14634855820980 22.990 *2 Na 0.82025891530181 0.73860797713197 0.67172719612345 22.990 3 Na 0.82025891530181 0.76139202286803 0.17172719612345 22.990 *4 Na 0.42183096380111 0.23464477616035 0.06845358783922 22.990 5 Na 0.17974108469819 0.23860797713197 0.82827280387655 22.990 *6 Na 0.31943355866884 0.75665982285419 0.64904896902205 22.990 7 Na 0.31943355866884 0.74334017714581 0.14904896902205 22.990 8 Na 0.07630640446035 0.76554545329464 0.64634855820980 22.990 9 Na 0.42183096380111 0.26535522383965 0.56845358783922 22.990 10 Na 0.57816903619889 0.76535522383965 0.93154641216078 22.990 11 Na 0.68056644133116 0.25665982285419 0.85095103097795 22.990 12 Na 0.92369359553965 0.26554545329464 0.85365144179020 22.990 13 Na 0.57816903619889 0.73464477616035 0.43154641216078 22.990 14 Na 0.17974108469819 0.26139202286803 0.32827280387655 22.990 15 Na 0.92369359553965 0.23445454670536 0.35365144179020 22.990 16 Na 0.68056644133116 0.24334017714581 0.35095103097795 22.990 *17 Zr 0.06502777804787 0.73571353030789 0.87215073186306 91.224 18 Zr 0.93497222195213 0.26428646969211 0.12784926813694 91.224 *19 Zr 0.43502219285687 0.26169391295915 0.30674704196987 91.224 20 Zr 0.56497780714313 0.76169391295915 0.19325295803013 91.224 21 Zr 0.06502777804787 0.76428646969211 0.37215073186306 91.224 22 Zr 0.56497780714313 0.73830608704085 0.69325295803013 91.224 23 Zr 0.43502219285687 0.23830608704085 0.80674704196987 91.224 24 Zr 0.93497222195213 0.23571353030789 0.62784926813694 91.224 *25 Si 0.84099535634722 0.71967251031616 0.43320115506265 28.085 *26 Si 0.34058105281101 0.77718389721932 0.40828692891701 28.085 27 Si 0.65941894718899 0.27718389721932 0.09171307108299 28.085 28 Si 0.15900464365278 0.28032748968384 0.56679884493735 28.085 29 Si 0.34058105281101 0.72281610278068 0.90828692891701 28.085 30 Si 0.65941894718899 0.22281610278068 0.59171307108299 28.085 31 Si 0.15900464365278 0.21967251031616 0.06679884493735 28.085 32 Si 0.84099535634722 0.78032748968384 0.93320115506265 28.085 *33 O 0.29210618394787 0.25060040665253 0.65085127707123 15.999 34 O 0.29210618394787 0.24939959334747 0.15085127707123 15.999 *35 O 0.35801417761877 0.43165221395761 0.88857218118289 15.999 *36 O 0.58835748309707 0.28599751068528 0.45765868489786 15.999 *37 O 0.87695411436839 0.60015278329028 0.04067039142688 15.999 *38 O 0.91127473507155 0.79897911518922 0.37049375073637 15.999 39 O 0.58835748309707 0.21400248931472 0.95765868489786 15.999 40 O 0.41164251690293 0.71400248931472 0.54234131510214 15.999 *41 O 0.61754722623508 0.40202181486965 0.65863962045647 15.999 42 O 0.12304588563161 0.10015278329028 0.45932960857312 15.999 43 O 0.12304588563161 0.39984721670972 0.95932960857312 15.999 *44 O 0.00221395570525 0.02492705977847 0.76970988154832 15.999 45 O 0.70789381605213 0.74939959334747 0.34914872292877 15.999 46 O 0.91127473507155 0.70102088481078 0.87049375073637 15.999 *47 O 0.86507604795344 0.42931136406129 0.47093135143145 15.999 48 O 0.99778604429475 0.97507294022153 0.23029011845168 15.999 49 O 0.87695411436839 0.89984721670972 0.54067039142688 15.999 50 O 0.13492395204656 0.57068863593871 0.52906864856855 15.999 51 O 0.00221395570525 0.47507294022153 0.26970988154832 15.999 *52 O 0.50723013057275 0.03294170507957 0.73526602246705 15.999 53 O 0.41164251690293 0.78599751068528 0.04234131510214 15.999 54 O 0.70789381605213 0.75060040665253 0.84914872292877 15.999 55 O 0.64198582238123 0.56834778604239 0.11142781881711 15.999 56 O 0.38245277376492 0.59797818513035 0.34136037954353 15.999 57 O 0.49276986942725 0.96705829492044 0.26473397753295 15.999 58 O 0.08872526492845 0.20102088481078 0.62950624926363 15.999 59 O 0.38245277376492 0.90202181486965 0.84136037954353 15.999 *60 O 0.20879450417738 0.77696933604054 0.86090358421558 15.999 61 O 0.08872526492845 0.29897911518922 0.12950624926363 15.999 62 O 0.13492395204656 0.92931136406129 0.02906864856855 15.999 63 O 0.50723013057275 0.46705829492043 0.23526602246705 15.999 64 O 0.61754722623508 0.09797818513035 0.15863962045647 15.999 65 O 0.49276986942725 0.53294170507956 0.76473397753295 15.999 66 O 0.64198582238123 0.93165221395761 0.61142781881711 15.999 67 O 0.79120549582262 0.22303066395946 0.13909641578442 15.999 68 O 0.35801417761877 0.06834778604239 0.38857218118289 15.999 69 O 0.99778604429475 0.52492705977847 0.73029011845168 15.999 70 O 0.79120549582262 0.27696933604054 0.63909641578442 15.999 71 O 0.86507604795344 0.07068863593871 0.97093135143145 15.999 72 O 0.20879450417738 0.72303066395946 0.36090358421558 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.875000690027692 0.000000000000000 0.000000000000000 b 0.000000000000000 5.469823249999999 0.000000000000000 c -6.704485899886310 0.000000000000000 11.947980864498792 Atomic positions (fractional): *1 Na 0.07630640446035 0.73445454670536 0.14634855820980 22.990 > 1 *2 Na 0.82025891530181 0.73860797713197 0.67172719612345 22.990 > 2 3 Na 0.82025891530181 0.76139202286803 0.17172719612345 22.990 > 3 *4 Na 0.42183096380111 0.23464477616035 0.06845358783922 22.990 > 4 5 Na 0.17974108469819 0.23860797713197 0.82827280387655 22.990 > 5 *6 Na 0.31943355866884 0.75665982285419 0.64904896902205 22.990 > 6 7 Na 0.31943355866884 0.74334017714581 0.14904896902205 22.990 > 7 8 Na 0.07630640446035 0.76554545329464 0.64634855820980 22.990 > 8 9 Na 0.42183096380111 0.26535522383965 0.56845358783922 22.990 > 9 10 Na 0.57816903619889 0.76535522383965 0.93154641216078 22.990 > 10 11 Na 0.68056644133116 0.25665982285419 0.85095103097795 22.990 > 11 12 Na 0.92369359553965 0.26554545329464 0.85365144179020 22.990 > 12 13 Na 0.57816903619889 0.73464477616035 0.43154641216078 22.990 > 13 14 Na 0.17974108469819 0.26139202286803 0.32827280387655 22.990 > 14 15 Na 0.92369359553965 0.23445454670536 0.35365144179020 22.990 > 15 16 Na 0.68056644133116 0.24334017714581 0.35095103097795 22.990 > 16 *17 Zr 0.06502777804787 0.73571353030789 0.87215073186306 91.224 > 17 18 Zr 0.93497222195213 0.26428646969211 0.12784926813694 91.224 > 18 *19 Zr 0.43502219285687 0.26169391295915 0.30674704196987 91.224 > 19 20 Zr 0.56497780714313 0.76169391295915 0.19325295803013 91.224 > 20 21 Zr 0.06502777804787 0.76428646969211 0.37215073186306 91.224 > 21 22 Zr 0.56497780714313 0.73830608704085 0.69325295803013 91.224 > 22 23 Zr 0.43502219285687 0.23830608704085 0.80674704196987 91.224 > 23 24 Zr 0.93497222195213 0.23571353030789 0.62784926813694 91.224 > 24 *25 Si 0.84099535634722 0.71967251031616 0.43320115506265 28.085 > 25 *26 Si 0.34058105281101 0.77718389721932 0.40828692891701 28.085 > 26 27 Si 0.65941894718899 0.27718389721932 0.09171307108299 28.085 > 27 28 Si 0.15900464365278 0.28032748968384 0.56679884493735 28.085 > 28 29 Si 0.34058105281101 0.72281610278068 0.90828692891701 28.085 > 29 30 Si 0.65941894718899 0.22281610278068 0.59171307108299 28.085 > 30 31 Si 0.15900464365278 0.21967251031616 0.06679884493735 28.085 > 31 32 Si 0.84099535634722 0.78032748968384 0.93320115506265 28.085 > 32 *33 O 0.29210618394787 0.25060040665253 0.65085127707123 15.999 > 33 34 O 0.29210618394787 0.24939959334747 0.15085127707123 15.999 > 34 *35 O 0.35801417761877 0.43165221395761 0.88857218118289 15.999 > 35 *36 O 0.58835748309707 0.28599751068528 0.45765868489786 15.999 > 36 *37 O 0.87695411436839 0.60015278329028 0.04067039142688 15.999 > 37 *38 O 0.91127473507155 0.79897911518922 0.37049375073637 15.999 > 38 39 O 0.58835748309707 0.21400248931472 0.95765868489786 15.999 > 39 40 O 0.41164251690293 0.71400248931472 0.54234131510214 15.999 > 40 *41 O 0.61754722623508 0.40202181486965 0.65863962045647 15.999 > 41 42 O 0.12304588563161 0.10015278329028 0.45932960857312 15.999 > 42 43 O 0.12304588563161 0.39984721670972 0.95932960857312 15.999 > 43 *44 O 0.00221395570525 0.02492705977847 0.76970988154832 15.999 > 44 45 O 0.70789381605213 0.74939959334747 0.34914872292877 15.999 > 45 46 O 0.91127473507155 0.70102088481078 0.87049375073637 15.999 > 46 *47 O 0.86507604795344 0.42931136406129 0.47093135143145 15.999 > 47 48 O 0.99778604429475 0.97507294022153 0.23029011845168 15.999 > 48 49 O 0.87695411436839 0.89984721670972 0.54067039142688 15.999 > 49 50 O 0.13492395204656 0.57068863593871 0.52906864856855 15.999 > 50 51 O 0.00221395570525 0.47507294022153 0.26970988154832 15.999 > 51 *52 O 0.50723013057275 0.03294170507957 0.73526602246705 15.999 > 52 53 O 0.41164251690293 0.78599751068528 0.04234131510214 15.999 > 53 54 O 0.70789381605213 0.75060040665253 0.84914872292877 15.999 > 54 55 O 0.64198582238123 0.56834778604239 0.11142781881711 15.999 > 55 56 O 0.38245277376492 0.59797818513035 0.34136037954353 15.999 > 56 57 O 0.49276986942725 0.96705829492044 0.26473397753295 15.999 > 57 58 O 0.08872526492845 0.20102088481078 0.62950624926363 15.999 > 58 59 O 0.38245277376492 0.90202181486965 0.84136037954353 15.999 > 59 *60 O 0.20879450417738 0.77696933604054 0.86090358421558 15.999 > 60 61 O 0.08872526492845 0.29897911518922 0.12950624926363 15.999 > 61 62 O 0.13492395204656 0.92931136406129 0.02906864856855 15.999 > 62 63 O 0.50723013057275 0.46705829492043 0.23526602246705 15.999 > 63 64 O 0.61754722623508 0.09797818513035 0.15863962045647 15.999 > 64 65 O 0.49276986942725 0.53294170507956 0.76473397753295 15.999 > 65 66 O 0.64198582238123 0.93165221395761 0.61142781881711 15.999 > 66 67 O 0.79120549582262 0.22303066395946 0.13909641578442 15.999 > 67 68 O 0.35801417761877 0.06834778604239 0.38857218118289 15.999 > 68 69 O 0.99778604429475 0.52492705977847 0.73029011845168 15.999 > 69 70 O 0.79120549582262 0.27696933604054 0.63909641578442 15.999 > 70 71 O 0.86507604795344 0.07068863593871 0.97093135143145 15.999 > 71 72 O 0.20879450417738 0.72303066395946 0.36090358421558 15.999 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.875000690027692 0.000000000000000 0.000000000000000 b 0.000000000000000 10.939646499999998 0.000000000000000 c -6.704485899886310 0.000000000000000 11.947980864498792 Atomic positions (fractional): *1 Na 0.07630640446035 0.36722727335268 0.14634855820980 22.990 > 1 2 Na 0.07630640446035 0.86722727335268 0.14634855820980 22.990 > 1 *3 Na 0.82025891530181 0.36930398856598 0.67172719612345 22.990 > 2 4 Na 0.82025891530181 0.86930398856598 0.67172719612345 22.990 > 2 5 Na 0.82025891530181 0.38069601143402 0.17172719612345 22.990 > 3 6 Na 0.82025891530181 0.88069601143402 0.17172719612345 22.990 > 3 *7 Na 0.42183096380111 0.11732238808018 0.06845358783922 22.990 > 4 8 Na 0.42183096380111 0.61732238808018 0.06845358783922 22.990 > 4 9 Na 0.17974108469819 0.11930398856598 0.82827280387655 22.990 > 5 10 Na 0.17974108469819 0.61930398856598 0.82827280387655 22.990 > 5 *11 Na 0.31943355866884 0.37832991142709 0.64904896902205 22.990 > 6 12 Na 0.31943355866884 0.87832991142709 0.64904896902205 22.990 > 6 13 Na 0.31943355866884 0.37167008857291 0.14904896902205 22.990 > 7 14 Na 0.31943355866884 0.87167008857291 0.14904896902205 22.990 > 7 15 Na 0.07630640446035 0.38277272664732 0.64634855820980 22.990 > 8 16 Na 0.07630640446035 0.88277272664732 0.64634855820980 22.990 > 8 17 Na 0.42183096380111 0.13267761191982 0.56845358783922 22.990 > 9 18 Na 0.42183096380111 0.63267761191982 0.56845358783922 22.990 > 9 19 Na 0.57816903619889 0.38267761191983 0.93154641216078 22.990 > 10 20 Na 0.57816903619889 0.88267761191982 0.93154641216078 22.990 > 10 21 Na 0.68056644133116 0.12832991142709 0.85095103097795 22.990 > 11 22 Na 0.68056644133116 0.62832991142709 0.85095103097795 22.990 > 11 23 Na 0.92369359553965 0.13277272664732 0.85365144179020 22.990 > 12 24 Na 0.92369359553965 0.63277272664732 0.85365144179020 22.990 > 12 25 Na 0.57816903619889 0.36732238808017 0.43154641216078 22.990 > 13 26 Na 0.57816903619889 0.86732238808018 0.43154641216078 22.990 > 13 27 Na 0.17974108469819 0.13069601143402 0.32827280387655 22.990 > 14 28 Na 0.17974108469819 0.63069601143402 0.32827280387655 22.990 > 14 29 Na 0.92369359553965 0.11722727335268 0.35365144179020 22.990 > 15 30 Na 0.92369359553965 0.61722727335268 0.35365144179020 22.990 > 15 31 Na 0.68056644133116 0.12167008857291 0.35095103097795 22.990 > 16 32 Na 0.68056644133116 0.62167008857291 0.35095103097795 22.990 > 16 *33 Zr 0.06502777804787 0.36785676515395 0.87215073186306 91.224 > 17 34 Zr 0.06502777804787 0.86785676515395 0.87215073186306 91.224 > 17 35 Zr 0.93497222195213 0.13214323484605 0.12784926813694 91.224 > 18 36 Zr 0.93497222195213 0.63214323484605 0.12784926813694 91.224 > 18 *37 Zr 0.43502219285687 0.13084695647958 0.30674704196987 91.224 > 19 38 Zr 0.43502219285687 0.63084695647958 0.30674704196987 91.224 > 19 39 Zr 0.56497780714313 0.38084695647958 0.19325295803013 91.224 > 20 40 Zr 0.56497780714313 0.88084695647958 0.19325295803013 91.224 > 20 41 Zr 0.06502777804787 0.38214323484605 0.37215073186306 91.224 > 21 42 Zr 0.06502777804787 0.88214323484605 0.37215073186306 91.224 > 21 43 Zr 0.56497780714313 0.36915304352042 0.69325295803013 91.224 > 22 44 Zr 0.56497780714313 0.86915304352042 0.69325295803013 91.224 > 22 45 Zr 0.43502219285687 0.11915304352042 0.80674704196987 91.224 > 23 46 Zr 0.43502219285687 0.61915304352042 0.80674704196987 91.224 > 23 47 Zr 0.93497222195213 0.11785676515395 0.62784926813694 91.224 > 24 48 Zr 0.93497222195213 0.61785676515395 0.62784926813694 91.224 > 24 *49 Si 0.84099535634722 0.35983625515808 0.43320115506265 28.085 > 25 50 Si 0.84099535634722 0.85983625515808 0.43320115506265 28.085 > 25 *51 Si 0.34058105281101 0.38859194860966 0.40828692891701 28.085 > 26 52 Si 0.34058105281101 0.88859194860966 0.40828692891701 28.085 > 26 53 Si 0.65941894718899 0.13859194860966 0.09171307108299 28.085 > 27 54 Si 0.65941894718899 0.63859194860966 0.09171307108299 28.085 > 27 55 Si 0.15900464365278 0.14016374484192 0.56679884493735 28.085 > 28 56 Si 0.15900464365278 0.64016374484192 0.56679884493735 28.085 > 28 57 Si 0.34058105281101 0.36140805139034 0.90828692891701 28.085 > 29 58 Si 0.34058105281101 0.86140805139034 0.90828692891701 28.085 > 29 59 Si 0.65941894718899 0.11140805139034 0.59171307108299 28.085 > 30 60 Si 0.65941894718899 0.61140805139034 0.59171307108299 28.085 > 30 61 Si 0.15900464365278 0.10983625515808 0.06679884493735 28.085 > 31 62 Si 0.15900464365278 0.60983625515808 0.06679884493735 28.085 > 31 63 Si 0.84099535634722 0.39016374484192 0.93320115506265 28.085 > 32 64 Si 0.84099535634722 0.89016374484192 0.93320115506265 28.085 > 32 *65 O 0.29210618394787 0.12530020332627 0.65085127707123 15.999 > 33 66 O 0.29210618394787 0.62530020332627 0.65085127707123 15.999 > 33 67 O 0.29210618394787 0.12469979667373 0.15085127707123 15.999 > 34 68 O 0.29210618394787 0.62469979667373 0.15085127707123 15.999 > 34 *69 O 0.35801417761877 0.21582610697881 0.88857218118289 15.999 > 35 70 O 0.35801417761877 0.71582610697881 0.88857218118289 15.999 > 35 *71 O 0.58835748309707 0.14299875534264 0.45765868489786 15.999 > 36 72 O 0.58835748309707 0.64299875534264 0.45765868489786 15.999 > 36 *73 O 0.87695411436839 0.30007639164514 0.04067039142688 15.999 > 37 74 O 0.87695411436839 0.80007639164514 0.04067039142688 15.999 > 37 *75 O 0.91127473507155 0.39948955759461 0.37049375073637 15.999 > 38 76 O 0.91127473507155 0.89948955759461 0.37049375073637 15.999 > 38 77 O 0.58835748309707 0.10700124465736 0.95765868489786 15.999 > 39 78 O 0.58835748309707 0.60700124465736 0.95765868489786 15.999 > 39 79 O 0.41164251690293 0.35700124465736 0.54234131510214 15.999 > 40 80 O 0.41164251690293 0.85700124465736 0.54234131510214 15.999 > 40 *81 O 0.61754722623508 0.20101090743482 0.65863962045647 15.999 > 41 82 O 0.61754722623508 0.70101090743482 0.65863962045647 15.999 > 41 83 O 0.12304588563161 0.05007639164514 0.45932960857312 15.999 > 42 84 O 0.12304588563161 0.55007639164514 0.45932960857312 15.999 > 42 85 O 0.12304588563161 0.19992360835486 0.95932960857312 15.999 > 43 86 O 0.12304588563161 0.69992360835486 0.95932960857312 15.999 > 43 *87 O 0.00221395570525 0.01246352988923 0.76970988154832 15.999 > 44 88 O 0.00221395570525 0.51246352988923 0.76970988154832 15.999 > 44 89 O 0.70789381605213 0.37469979667373 0.34914872292877 15.999 > 45 90 O 0.70789381605213 0.87469979667373 0.34914872292877 15.999 > 45 91 O 0.91127473507155 0.35051044240539 0.87049375073637 15.999 > 46 92 O 0.91127473507155 0.85051044240539 0.87049375073637 15.999 > 46 *93 O 0.86507604795344 0.21465568203064 0.47093135143145 15.999 > 47 94 O 0.86507604795344 0.71465568203064 0.47093135143145 15.999 > 47 95 O 0.99778604429475 0.48753647011077 0.23029011845168 15.999 > 48 96 O 0.99778604429475 0.98753647011077 0.23029011845168 15.999 > 48 97 O 0.87695411436839 0.44992360835486 0.54067039142688 15.999 > 49 98 O 0.87695411436839 0.94992360835486 0.54067039142688 15.999 > 49 99 O 0.13492395204656 0.28534431796936 0.52906864856855 15.999 > 50 100 O 0.13492395204656 0.78534431796936 0.52906864856855 15.999 > 50 101 O 0.00221395570525 0.23753647011077 0.26970988154832 15.999 > 51 102 O 0.00221395570525 0.73753647011077 0.26970988154832 15.999 > 51 *103 O 0.50723013057275 0.01647085253978 0.73526602246705 15.999 > 52 104 O 0.50723013057275 0.51647085253978 0.73526602246705 15.999 > 52 105 O 0.41164251690293 0.39299875534264 0.04234131510214 15.999 > 53 106 O 0.41164251690293 0.89299875534264 0.04234131510214 15.999 > 53 107 O 0.70789381605213 0.37530020332627 0.84914872292877 15.999 > 54 108 O 0.70789381605213 0.87530020332627 0.84914872292877 15.999 > 54 109 O 0.64198582238123 0.28417389302119 0.11142781881711 15.999 > 55 110 O 0.64198582238123 0.78417389302119 0.11142781881711 15.999 > 55 111 O 0.38245277376492 0.29898909256518 0.34136037954353 15.999 > 56 112 O 0.38245277376492 0.79898909256518 0.34136037954353 15.999 > 56 113 O 0.49276986942725 0.48352914746022 0.26473397753295 15.999 > 57 114 O 0.49276986942725 0.98352914746022 0.26473397753295 15.999 > 57 115 O 0.08872526492845 0.10051044240539 0.62950624926363 15.999 > 58 116 O 0.08872526492845 0.60051044240539 0.62950624926363 15.999 > 58 117 O 0.38245277376492 0.45101090743482 0.84136037954353 15.999 > 59 118 O 0.38245277376492 0.95101090743482 0.84136037954353 15.999 > 59 *119 O 0.20879450417738 0.38848466802027 0.86090358421558 15.999 > 60 120 O 0.20879450417738 0.88848466802027 0.86090358421558 15.999 > 60 121 O 0.08872526492845 0.14948955759461 0.12950624926363 15.999 > 61 122 O 0.08872526492845 0.64948955759461 0.12950624926363 15.999 > 61 123 O 0.13492395204656 0.46465568203064 0.02906864856855 15.999 > 62 124 O 0.13492395204656 0.96465568203064 0.02906864856855 15.999 > 62 125 O 0.50723013057275 0.23352914746022 0.23526602246705 15.999 > 63 126 O 0.50723013057275 0.73352914746022 0.23526602246705 15.999 > 63 127 O 0.61754722623508 0.04898909256518 0.15863962045647 15.999 > 64 128 O 0.61754722623508 0.54898909256518 0.15863962045647 15.999 > 64 129 O 0.49276986942725 0.26647085253978 0.76473397753295 15.999 > 65 130 O 0.49276986942725 0.76647085253978 0.76473397753295 15.999 > 65 131 O 0.64198582238123 0.46582610697881 0.61142781881711 15.999 > 66 132 O 0.64198582238123 0.96582610697881 0.61142781881711 15.999 > 66 133 O 0.79120549582262 0.11151533197973 0.13909641578442 15.999 > 67 134 O 0.79120549582262 0.61151533197973 0.13909641578442 15.999 > 67 135 O 0.35801417761877 0.03417389302119 0.38857218118289 15.999 > 68 136 O 0.35801417761877 0.53417389302119 0.38857218118289 15.999 > 68 137 O 0.99778604429475 0.26246352988923 0.73029011845168 15.999 > 69 138 O 0.99778604429475 0.76246352988923 0.73029011845168 15.999 > 69 139 O 0.79120549582262 0.13848466802027 0.63909641578442 15.999 > 70 140 O 0.79120549582262 0.63848466802027 0.63909641578442 15.999 > 70 141 O 0.86507604795344 0.03534431796936 0.97093135143145 15.999 > 71 142 O 0.86507604795344 0.53534431796936 0.97093135143145 15.999 > 71 143 O 0.20879450417738 0.36151533197973 0.36090358421558 15.999 > 72 144 O 0.20879450417738 0.86151533197973 0.36090358421558 15.999 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3142278 0.0000000 -0.0172554 0.0000000 3.4907689 0.0000000 -0.0172554 0.0000000 3.3444416 -------------------------- Born effective charges -------------------------- 1 Na 1.0227985 0.0198635 -0.0455659 0.0065928 1.0881827 0.0227460 -0.1196037 -0.0188283 1.0894483 2 Na 1.1721751 -0.0126000 0.0500864 -0.0164984 1.0917348 -0.0433209 0.0065094 -0.0138679 0.9728380 3 Na 1.1721751 0.0126000 0.0500864 0.0164984 1.0917348 0.0433209 0.0065094 0.0138679 0.9728380 4 Na 0.9994359 0.0004802 -0.0989189 -0.0422372 1.1004219 0.0025415 -0.0258925 -0.0235477 1.1275619 5 Na 1.1721751 0.0126000 0.0500864 0.0164984 1.0917348 0.0433209 0.0065094 0.0138679 0.9728380 6 Na 1.0557933 -0.0079787 0.0819093 -0.0299425 1.1061780 0.0318236 0.1285946 0.0392201 1.1024656 7 Na 1.0557933 0.0079787 0.0819093 0.0299425 1.1061780 -0.0318236 0.1285946 -0.0392201 1.1024656 8 Na 1.0227985 -0.0198635 -0.0455659 -0.0065928 1.0881827 -0.0227460 -0.1196037 0.0188283 1.0894483 9 Na 0.9994359 -0.0004802 -0.0989189 0.0422372 1.1004219 -0.0025415 -0.0258925 0.0235477 1.1275619 10 Na 0.9994359 0.0004802 -0.0989189 -0.0422372 1.1004219 0.0025415 -0.0258925 -0.0235477 1.1275619 11 Na 1.0557933 0.0079787 0.0819093 0.0299425 1.1061780 -0.0318236 0.1285946 -0.0392201 1.1024656 12 Na 1.0227985 0.0198635 -0.0455659 0.0065928 1.0881827 0.0227460 -0.1196037 -0.0188283 1.0894483 13 Na 0.9994359 -0.0004802 -0.0989189 0.0422372 1.1004219 -0.0025415 -0.0258925 0.0235477 1.1275619 14 Na 1.1721751 -0.0126000 0.0500864 -0.0164984 1.0917348 -0.0433209 0.0065094 -0.0138679 0.9728380 15 Na 1.0227985 -0.0198635 -0.0455659 -0.0065928 1.0881827 -0.0227460 -0.1196037 0.0188283 1.0894483 16 Na 1.0557933 -0.0079787 0.0819093 -0.0299425 1.1061780 0.0318236 0.1285946 0.0392201 1.1024656 17 Zr 5.0724449 0.1878314 0.0191725 -0.2525919 5.9274585 0.5004888 -0.0807954 -0.5894325 5.4339166 18 Zr 5.0724449 0.1878314 0.0191725 -0.2525919 5.9274585 0.5004888 -0.0807954 -0.5894325 5.4339166 19 Zr 5.2892449 -0.5240438 -0.2032737 0.3998384 5.9666287 -0.3658795 -0.1035764 0.3944506 5.2183564 20 Zr 5.2892449 0.5240438 -0.2032737 -0.3998384 5.9666287 0.3658795 -0.1035764 -0.3944506 5.2183564 21 Zr 5.0724449 -0.1878314 0.0191725 0.2525919 5.9274585 -0.5004888 -0.0807954 0.5894325 5.4339166 22 Zr 5.2892449 -0.5240438 -0.2032737 0.3998384 5.9666287 -0.3658795 -0.1035764 0.3944506 5.2183564 23 Zr 5.2892449 0.5240438 -0.2032737 -0.3998384 5.9666287 0.3658795 -0.1035764 -0.3944506 5.2183564 24 Zr 5.0724449 -0.1878314 0.0191725 0.2525919 5.9274585 -0.5004888 -0.0807954 0.5894325 5.4339166 25 Si 3.6603148 0.1750401 0.0965164 -0.1375128 3.2934965 0.3633713 0.2806943 -0.3471920 3.5869181 26 Si 3.7657391 0.3136386 0.1876565 -0.3316759 3.2837538 0.2265496 0.0173629 -0.2576034 3.4862044 27 Si 3.7657391 -0.3136386 0.1876565 0.3316759 3.2837538 -0.2265496 0.0173629 0.2576034 3.4862044 28 Si 3.6603148 0.1750401 0.0965164 -0.1375128 3.2934965 0.3633713 0.2806943 -0.3471920 3.5869181 29 Si 3.7657391 -0.3136386 0.1876565 0.3316759 3.2837538 -0.2265496 0.0173629 0.2576034 3.4862044 30 Si 3.7657391 0.3136386 0.1876565 -0.3316759 3.2837538 0.2265496 0.0173629 -0.2576034 3.4862044 31 Si 3.6603148 -0.1750401 0.0965164 0.1375128 3.2934965 -0.3633713 0.2806943 0.3471920 3.5869181 32 Si 3.6603148 -0.1750401 0.0965164 0.1375128 3.2934965 -0.3633713 0.2806943 0.3471920 3.5869181 33 O -2.3982665 0.0483729 -1.3600664 0.1539124 -1.3598402 0.0253722 -1.1930028 0.1690584 -2.8962914 34 O -2.3982665 -0.0483729 -1.3600664 -0.1539124 -1.3598402 -0.0253722 -1.1930028 -0.1690584 -2.8962914 35 O -2.1641885 0.7721149 0.4506147 0.7659792 -2.5347817 -0.4809561 0.4820209 -0.5097754 -1.6435604 36 O -1.5548974 -0.0365853 -0.3610204 0.0103590 -1.3631338 0.1148442 -0.7734357 0.1415088 -3.4292485 37 O -1.3648641 0.0202400 0.0404214 0.0174922 -2.7283303 1.0013691 -0.0149079 1.2321345 -2.3672338 38 O -3.3899177 -0.1311097 0.3594083 -0.0630082 -1.3745049 0.0529335 0.7584038 0.1146614 -1.5557099 39 O -1.5548974 0.0365853 -0.3610204 -0.0103590 -1.3631338 -0.1148442 -0.7734357 -0.1415088 -3.4292485 40 O -1.5548974 -0.0365853 -0.3610204 0.0103590 -1.3631338 0.1148442 -0.7734357 0.1415088 -3.4292485 41 O -2.0846541 1.0542223 0.4382640 0.8874647 -2.7562609 -0.5104584 0.4960574 -0.6488871 -1.6383421 42 O -1.3648641 -0.0202400 0.0404214 -0.0174922 -2.7283303 -1.0013691 -0.0149079 -1.2321345 -2.3672338 43 O -1.3648641 0.0202400 0.0404214 0.0174922 -2.7283303 1.0013691 -0.0149079 1.2321345 -2.3672338 44 O -1.2775034 0.1264868 -0.1256054 0.1394813 -3.3984829 2.0417060 -0.0356311 1.5183618 -2.9769806 45 O -2.3982665 0.0483729 -1.3600664 0.1539124 -1.3598402 0.0253722 -1.1930028 0.1690584 -2.8962914 46 O -3.3899177 0.1311097 0.3594083 0.0630082 -1.3745049 -0.0529335 0.7584038 -0.1146614 -1.5557099 47 O -1.3737247 -0.0223518 0.0222188 0.0038999 -2.5436998 0.9114355 -0.0115689 0.9465344 -2.4514849 48 O -1.2775034 0.1264868 -0.1256054 0.1394813 -3.3984829 2.0417060 -0.0356311 1.5183618 -2.9769806 49 O -1.3648641 -0.0202400 0.0404214 -0.0174922 -2.7283303 -1.0013691 -0.0149079 -1.2321345 -2.3672338 50 O -1.3737247 -0.0223518 0.0222188 0.0038999 -2.5436998 0.9114355 -0.0115689 0.9465344 -2.4514849 51 O -1.2775034 -0.1264868 -0.1256054 -0.1394813 -3.3984829 -2.0417060 -0.0356311 -1.5183618 -2.9769806 52 O -2.5760559 1.3614641 0.7417319 1.8143414 -3.4299781 -0.9396902 0.6576868 -0.6817351 -1.6558367 53 O -1.5548974 0.0365853 -0.3610204 -0.0103590 -1.3631338 -0.1148442 -0.7734357 -0.1415088 -3.4292485 54 O -2.3982665 -0.0483729 -1.3600664 -0.1539124 -1.3598402 -0.0253722 -1.1930028 -0.1690584 -2.8962914 55 O -2.1641885 0.7721149 0.4506147 0.7659792 -2.5347817 -0.4809561 0.4820209 -0.5097754 -1.6435604 56 O -2.0846541 1.0542223 0.4382640 0.8874647 -2.7562609 -0.5104584 0.4960574 -0.6488871 -1.6383421 57 O -2.5760559 1.3614641 0.7417319 1.8143414 -3.4299781 -0.9396902 0.6576868 -0.6817351 -1.6558367 58 O -3.3899177 -0.1311097 0.3594083 -0.0630082 -1.3745049 0.0529335 0.7584038 0.1146614 -1.5557099 59 O -2.0846541 -1.0542223 0.4382640 -0.8874647 -2.7562609 0.5104584 0.4960574 0.6488871 -1.6383421 60 O -3.8538743 0.0365096 -0.2935496 -0.0584670 -1.3688422 0.0401662 -0.4689156 0.0391022 -1.4030209 61 O -3.3899177 0.1311097 0.3594083 0.0630082 -1.3745049 -0.0529335 0.7584038 -0.1146614 -1.5557099 62 O -1.3737247 0.0223518 0.0222188 -0.0038999 -2.5436998 -0.9114355 -0.0115689 -0.9465344 -2.4514849 63 O -2.5760559 -1.3614641 0.7417319 -1.8143414 -3.4299781 0.9396902 0.6576868 0.6817351 -1.6558367 64 O -2.0846541 -1.0542223 0.4382640 -0.8874647 -2.7562609 0.5104584 0.4960574 0.6488871 -1.6383421 65 O -2.5760559 -1.3614641 0.7417319 -1.8143414 -3.4299781 0.9396902 0.6576868 0.6817351 -1.6558367 66 O -2.1641885 -0.7721149 0.4506147 -0.7659792 -2.5347817 0.4809561 0.4820209 0.5097754 -1.6435604 67 O -3.8538743 0.0365096 -0.2935496 -0.0584670 -1.3688422 0.0401662 -0.4689156 0.0391022 -1.4030209 68 O -2.1641885 -0.7721149 0.4506147 -0.7659792 -2.5347817 0.4809561 0.4820209 0.5097754 -1.6435604 69 O -1.2775034 -0.1264868 -0.1256054 -0.1394813 -3.3984829 -2.0417060 -0.0356311 -1.5183618 -2.9769806 70 O -3.8538743 -0.0365096 -0.2935496 0.0584670 -1.3688422 -0.0401662 -0.4689156 -0.0391022 -1.4030209 71 O -1.3737247 0.0223518 0.0222188 -0.0038999 -2.5436998 -0.9114355 -0.0115689 -0.9465344 -2.4514849 72 O -3.8538743 -0.0365096 -0.2935496 0.0584670 -1.3688422 -0.0401662 -0.4689156 -0.0391022 -1.4030209 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11826 Number of blocks in projector: 11826 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 223 eigenvectors found. (2) Block: 500 / 592 (2) 227 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 162 (1) Compute compressed projector. (1) Use standard solver. (1) 126 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 223 eigenvectors found. (2) Block: 500 / 592 (2) 227 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 162 (1) Compute compressed projector. (1) Use standard solver. (1) 126 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (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: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11826, 11665), data: False |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), 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, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), data: True |-- (2592, 2556), data: False |-- (2592, 126), data: (2592, 162) @ (162, 126) |-- (592, 565), data: False |-- (592, 31), data: (592, 58) @ (58, 31) |-- (92, 84), data: True |-- (250, 227), data: True |-- (250, 223), data: True |-- (500, 464), data: False |-- (500, 24), data: (500, 60) @ (60, 24) |-- (250, 215), data: True |-- (250, 225), data: True |-- (500, 464), data: False |-- (500, 26), data: (500, 62) @ (62, 26) |-- (250, 218), data: True |-- (250, 220), data: True |-- (500, 473), data: False |-- (500, 20), data: (500, 47) @ (47, 20) |-- (250, 230), data: True |-- (250, 223), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 126), data: (2592, 162) @ (162, 126) |-- (592, 565), data: False |-- (592, 31), data: (592, 58) @ (58, 31) |-- (92, 84), data: True |-- (250, 227), data: True |-- (250, 223), data: True |-- (500, 464), data: False |-- (500, 24), data: (500, 60) @ (60, 24) |-- (250, 215), data: True |-- (250, 225), data: True |-- (500, 464), data: False |-- (500, 26), data: (500, 62) @ (62, 26) |-- (250, 218), data: True |-- (250, 220), data: True |-- (500, 473), data: False |-- (500, 20), data: (500, 47) @ (47, 20) |-- (250, 230), data: True |-- (250, 223), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 2160 - Time: 8.654 Solver_block: 200 / 2160 - Time: 6.635 Solver_block: 300 / 2160 - Time: 7.121 Solver_block: 400 / 2160 - Time: 6.780 Solver_block: 500 / 2160 - Time: 5.465 Solver_block: 600 / 2160 - Time: 7.463 Solver_block: 700 / 2160 - Time: 6.792 Solver_block: 800 / 2160 - Time: 8.267 Solver_block: 900 / 2160 - Time: 8.925 Solver_block: 1000 / 2160 - Time: 8.723 Solver_block: 1100 / 2160 - Time: 7.343 Solver_block: 1200 / 2160 - Time: 8.094 Solver_block: 1300 / 2160 - Time: 7.331 Solver_block: 1400 / 2160 - Time: 6.690 Solver_block: 1500 / 2160 - Time: 7.790 Solver_block: 1600 / 2160 - Time: 6.747 Solver_block: 1700 / 2160 - Time: 8.053 Solver_block: 1800 / 2160 - Time: 7.816 Solver_block: 1900 / 2160 - Time: 7.318 Solver_block: 2000 / 2160 - Time: 7.752 Solver_block: 2100 / 2160 - Time: 5.317 Solver_block: 2160 / 2160 - Time: 8.097 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 169.184 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11826 Number of blocks in projector: 11826 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 223 eigenvectors found. (2) Block: 500 / 592 (2) 227 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 162 (1) Compute compressed projector. (1) Use standard solver. (1) 126 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 223 eigenvectors found. (2) Block: 500 / 592 (2) 227 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 162 (1) Compute compressed projector. (1) Use standard solver. (1) 126 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (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: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11826, 11665), data: False |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), 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, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), data: True |-- (2592, 2556), data: False |-- (2592, 126), data: (2592, 162) @ (162, 126) |-- (592, 565), data: False |-- (592, 31), data: (592, 58) @ (58, 31) |-- (92, 84), data: True |-- (250, 227), data: True |-- (250, 223), data: True |-- (500, 464), data: False |-- (500, 24), data: (500, 60) @ (60, 24) |-- (250, 215), data: True |-- (250, 225), data: True |-- (500, 464), data: False |-- (500, 26), data: (500, 62) @ (62, 26) |-- (250, 218), data: True |-- (250, 220), data: True |-- (500, 473), data: False |-- (500, 20), data: (500, 47) @ (47, 20) |-- (250, 230), data: True |-- (250, 223), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 126), data: (2592, 162) @ (162, 126) |-- (592, 565), data: False |-- (592, 31), data: (592, 58) @ (58, 31) |-- (92, 84), data: True |-- (250, 227), data: True |-- (250, 223), data: True |-- (500, 464), data: False |-- (500, 24), data: (500, 60) @ (60, 24) |-- (250, 215), data: True |-- (250, 225), data: True |-- (500, 464), data: False |-- (500, 26), data: (500, 62) @ (62, 26) |-- (250, 218), data: True |-- (250, 220), data: True |-- (500, 473), data: False |-- (500, 20), data: (500, 47) @ (47, 20) |-- (250, 230), data: True |-- (250, 223), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:53:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:53:36]------------------------- 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 13.875000690027692 0.000000000000000 0.000000000000000 b 0.000000000000000 5.469823249999999 0.000000000000000 c -6.704485899886310 0.000000000000000 11.947980864498792 Atomic positions (fractional): 1 Na 0.07630640446035 0.73445454670536 0.14634855820980 22.990 2 Na 0.82025891530181 0.73860797713197 0.67172719612345 22.990 3 Na 0.82025891530181 0.76139202286803 0.17172719612345 22.990 4 Na 0.42183096380111 0.23464477616035 0.06845358783922 22.990 5 Na 0.17974108469819 0.23860797713197 0.82827280387655 22.990 6 Na 0.31943355866884 0.75665982285419 0.64904896902205 22.990 7 Na 0.31943355866884 0.74334017714581 0.14904896902205 22.990 8 Na 0.07630640446035 0.76554545329464 0.64634855820980 22.990 9 Na 0.42183096380111 0.26535522383965 0.56845358783922 22.990 10 Na 0.57816903619889 0.76535522383965 0.93154641216078 22.990 11 Na 0.68056644133116 0.25665982285419 0.85095103097795 22.990 12 Na 0.92369359553965 0.26554545329464 0.85365144179020 22.990 13 Na 0.57816903619889 0.73464477616035 0.43154641216078 22.990 14 Na 0.17974108469819 0.26139202286803 0.32827280387655 22.990 15 Na 0.92369359553965 0.23445454670536 0.35365144179020 22.990 16 Na 0.68056644133116 0.24334017714581 0.35095103097795 22.990 17 Zr 0.06502777804787 0.73571353030789 0.87215073186306 91.224 18 Zr 0.93497222195213 0.26428646969211 0.12784926813694 91.224 19 Zr 0.43502219285687 0.26169391295915 0.30674704196987 91.224 20 Zr 0.56497780714313 0.76169391295915 0.19325295803013 91.224 21 Zr 0.06502777804787 0.76428646969211 0.37215073186306 91.224 22 Zr 0.56497780714313 0.73830608704085 0.69325295803013 91.224 23 Zr 0.43502219285687 0.23830608704085 0.80674704196987 91.224 24 Zr 0.93497222195213 0.23571353030789 0.62784926813694 91.224 25 Si 0.84099535634722 0.71967251031616 0.43320115506265 28.085 26 Si 0.34058105281101 0.77718389721932 0.40828692891701 28.085 27 Si 0.65941894718899 0.27718389721932 0.09171307108299 28.085 28 Si 0.15900464365278 0.28032748968384 0.56679884493735 28.085 29 Si 0.34058105281101 0.72281610278068 0.90828692891701 28.085 30 Si 0.65941894718899 0.22281610278068 0.59171307108299 28.085 31 Si 0.15900464365278 0.21967251031616 0.06679884493735 28.085 32 Si 0.84099535634722 0.78032748968384 0.93320115506265 28.085 33 O 0.29210618394787 0.25060040665253 0.65085127707123 15.999 34 O 0.29210618394787 0.24939959334747 0.15085127707123 15.999 35 O 0.35801417761877 0.43165221395761 0.88857218118289 15.999 36 O 0.58835748309707 0.28599751068528 0.45765868489786 15.999 37 O 0.87695411436839 0.60015278329028 0.04067039142688 15.999 38 O 0.91127473507155 0.79897911518922 0.37049375073637 15.999 39 O 0.58835748309707 0.21400248931472 0.95765868489786 15.999 40 O 0.41164251690293 0.71400248931472 0.54234131510214 15.999 41 O 0.61754722623508 0.40202181486965 0.65863962045647 15.999 42 O 0.12304588563161 0.10015278329028 0.45932960857312 15.999 43 O 0.12304588563161 0.39984721670972 0.95932960857312 15.999 44 O 0.00221395570525 0.02492705977847 0.76970988154832 15.999 45 O 0.70789381605213 0.74939959334747 0.34914872292877 15.999 46 O 0.91127473507155 0.70102088481078 0.87049375073637 15.999 47 O 0.86507604795344 0.42931136406129 0.47093135143145 15.999 48 O 0.99778604429475 0.97507294022153 0.23029011845168 15.999 49 O 0.87695411436839 0.89984721670972 0.54067039142688 15.999 50 O 0.13492395204656 0.57068863593871 0.52906864856855 15.999 51 O 0.00221395570525 0.47507294022153 0.26970988154832 15.999 52 O 0.50723013057275 0.03294170507957 0.73526602246705 15.999 53 O 0.41164251690293 0.78599751068528 0.04234131510214 15.999 54 O 0.70789381605213 0.75060040665253 0.84914872292877 15.999 55 O 0.64198582238123 0.56834778604239 0.11142781881711 15.999 56 O 0.38245277376492 0.59797818513035 0.34136037954353 15.999 57 O 0.49276986942725 0.96705829492044 0.26473397753295 15.999 58 O 0.08872526492845 0.20102088481078 0.62950624926363 15.999 59 O 0.38245277376492 0.90202181486965 0.84136037954353 15.999 60 O 0.20879450417738 0.77696933604054 0.86090358421558 15.999 61 O 0.08872526492845 0.29897911518922 0.12950624926363 15.999 62 O 0.13492395204656 0.92931136406129 0.02906864856855 15.999 63 O 0.50723013057275 0.46705829492043 0.23526602246705 15.999 64 O 0.61754722623508 0.09797818513035 0.15863962045647 15.999 65 O 0.49276986942725 0.53294170507956 0.76473397753295 15.999 66 O 0.64198582238123 0.93165221395761 0.61142781881711 15.999 67 O 0.79120549582262 0.22303066395946 0.13909641578442 15.999 68 O 0.35801417761877 0.06834778604239 0.38857218118289 15.999 69 O 0.99778604429475 0.52492705977847 0.73029011845168 15.999 70 O 0.79120549582262 0.27696933604054 0.63909641578442 15.999 71 O 0.86507604795344 0.07068863593871 0.97093135143145 15.999 72 O 0.20879450417738 0.72303066395946 0.36090358421558 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.875000690027692 0.000000000000000 0.000000000000000 b 0.000000000000000 10.939646499999998 0.000000000000000 c -6.704485899886310 0.000000000000000 11.947980864498792 Atomic positions (fractional): 1 Na 0.07630640446035 0.36722727335268 0.14634855820980 22.990 > 1 2 Na 0.07630640446035 0.86722727335268 0.14634855820980 22.990 > 1 3 Na 0.82025891530181 0.36930398856598 0.67172719612345 22.990 > 3 4 Na 0.82025891530181 0.86930398856598 0.67172719612345 22.990 > 3 5 Na 0.82025891530181 0.38069601143402 0.17172719612345 22.990 > 5 6 Na 0.82025891530181 0.88069601143402 0.17172719612345 22.990 > 5 7 Na 0.42183096380111 0.11732238808018 0.06845358783922 22.990 > 7 8 Na 0.42183096380111 0.61732238808018 0.06845358783922 22.990 > 7 9 Na 0.17974108469819 0.11930398856598 0.82827280387655 22.990 > 9 10 Na 0.17974108469819 0.61930398856598 0.82827280387655 22.990 > 9 11 Na 0.31943355866884 0.37832991142709 0.64904896902205 22.990 > 11 12 Na 0.31943355866884 0.87832991142709 0.64904896902205 22.990 > 11 13 Na 0.31943355866884 0.37167008857291 0.14904896902205 22.990 > 13 14 Na 0.31943355866884 0.87167008857291 0.14904896902205 22.990 > 13 15 Na 0.07630640446035 0.38277272664732 0.64634855820980 22.990 > 15 16 Na 0.07630640446035 0.88277272664732 0.64634855820980 22.990 > 15 17 Na 0.42183096380111 0.13267761191982 0.56845358783922 22.990 > 17 18 Na 0.42183096380111 0.63267761191982 0.56845358783922 22.990 > 17 19 Na 0.57816903619889 0.38267761191983 0.93154641216078 22.990 > 19 20 Na 0.57816903619889 0.88267761191982 0.93154641216078 22.990 > 19 21 Na 0.68056644133116 0.12832991142709 0.85095103097795 22.990 > 21 22 Na 0.68056644133116 0.62832991142709 0.85095103097795 22.990 > 21 23 Na 0.92369359553965 0.13277272664732 0.85365144179020 22.990 > 23 24 Na 0.92369359553965 0.63277272664732 0.85365144179020 22.990 > 23 25 Na 0.57816903619889 0.36732238808017 0.43154641216078 22.990 > 25 26 Na 0.57816903619889 0.86732238808018 0.43154641216078 22.990 > 25 27 Na 0.17974108469819 0.13069601143402 0.32827280387655 22.990 > 27 28 Na 0.17974108469819 0.63069601143402 0.32827280387655 22.990 > 27 29 Na 0.92369359553965 0.11722727335268 0.35365144179020 22.990 > 29 30 Na 0.92369359553965 0.61722727335268 0.35365144179020 22.990 > 29 31 Na 0.68056644133116 0.12167008857291 0.35095103097795 22.990 > 31 32 Na 0.68056644133116 0.62167008857291 0.35095103097795 22.990 > 31 33 Zr 0.06502777804787 0.36785676515395 0.87215073186306 91.224 > 33 34 Zr 0.06502777804787 0.86785676515395 0.87215073186306 91.224 > 33 35 Zr 0.93497222195213 0.13214323484605 0.12784926813694 91.224 > 35 36 Zr 0.93497222195213 0.63214323484605 0.12784926813694 91.224 > 35 37 Zr 0.43502219285687 0.13084695647958 0.30674704196987 91.224 > 37 38 Zr 0.43502219285687 0.63084695647958 0.30674704196987 91.224 > 37 39 Zr 0.56497780714313 0.38084695647958 0.19325295803013 91.224 > 39 40 Zr 0.56497780714313 0.88084695647958 0.19325295803013 91.224 > 39 41 Zr 0.06502777804787 0.38214323484605 0.37215073186306 91.224 > 41 42 Zr 0.06502777804787 0.88214323484605 0.37215073186306 91.224 > 41 43 Zr 0.56497780714313 0.36915304352042 0.69325295803013 91.224 > 43 44 Zr 0.56497780714313 0.86915304352042 0.69325295803013 91.224 > 43 45 Zr 0.43502219285687 0.11915304352042 0.80674704196987 91.224 > 45 46 Zr 0.43502219285687 0.61915304352042 0.80674704196987 91.224 > 45 47 Zr 0.93497222195213 0.11785676515395 0.62784926813694 91.224 > 47 48 Zr 0.93497222195213 0.61785676515395 0.62784926813694 91.224 > 47 49 Si 0.84099535634722 0.35983625515808 0.43320115506265 28.085 > 49 50 Si 0.84099535634722 0.85983625515808 0.43320115506265 28.085 > 49 51 Si 0.34058105281101 0.38859194860966 0.40828692891701 28.085 > 51 52 Si 0.34058105281101 0.88859194860966 0.40828692891701 28.085 > 51 53 Si 0.65941894718899 0.13859194860966 0.09171307108299 28.085 > 53 54 Si 0.65941894718899 0.63859194860966 0.09171307108299 28.085 > 53 55 Si 0.15900464365278 0.14016374484192 0.56679884493735 28.085 > 55 56 Si 0.15900464365278 0.64016374484192 0.56679884493735 28.085 > 55 57 Si 0.34058105281101 0.36140805139034 0.90828692891701 28.085 > 57 58 Si 0.34058105281101 0.86140805139034 0.90828692891701 28.085 > 57 59 Si 0.65941894718899 0.11140805139034 0.59171307108299 28.085 > 59 60 Si 0.65941894718899 0.61140805139034 0.59171307108299 28.085 > 59 61 Si 0.15900464365278 0.10983625515808 0.06679884493735 28.085 > 61 62 Si 0.15900464365278 0.60983625515808 0.06679884493735 28.085 > 61 63 Si 0.84099535634722 0.39016374484192 0.93320115506265 28.085 > 63 64 Si 0.84099535634722 0.89016374484192 0.93320115506265 28.085 > 63 65 O 0.29210618394787 0.12530020332627 0.65085127707123 15.999 > 65 66 O 0.29210618394787 0.62530020332627 0.65085127707123 15.999 > 65 67 O 0.29210618394787 0.12469979667373 0.15085127707123 15.999 > 67 68 O 0.29210618394787 0.62469979667373 0.15085127707123 15.999 > 67 69 O 0.35801417761877 0.21582610697881 0.88857218118289 15.999 > 69 70 O 0.35801417761877 0.71582610697881 0.88857218118289 15.999 > 69 71 O 0.58835748309707 0.14299875534264 0.45765868489786 15.999 > 71 72 O 0.58835748309707 0.64299875534264 0.45765868489786 15.999 > 71 73 O 0.87695411436839 0.30007639164514 0.04067039142688 15.999 > 73 74 O 0.87695411436839 0.80007639164514 0.04067039142688 15.999 > 73 75 O 0.91127473507155 0.39948955759461 0.37049375073637 15.999 > 75 76 O 0.91127473507155 0.89948955759461 0.37049375073637 15.999 > 75 77 O 0.58835748309707 0.10700124465736 0.95765868489786 15.999 > 77 78 O 0.58835748309707 0.60700124465736 0.95765868489786 15.999 > 77 79 O 0.41164251690293 0.35700124465736 0.54234131510214 15.999 > 79 80 O 0.41164251690293 0.85700124465736 0.54234131510214 15.999 > 79 81 O 0.61754722623508 0.20101090743482 0.65863962045647 15.999 > 81 82 O 0.61754722623508 0.70101090743482 0.65863962045647 15.999 > 81 83 O 0.12304588563161 0.05007639164514 0.45932960857312 15.999 > 83 84 O 0.12304588563161 0.55007639164514 0.45932960857312 15.999 > 83 85 O 0.12304588563161 0.19992360835486 0.95932960857312 15.999 > 85 86 O 0.12304588563161 0.69992360835486 0.95932960857312 15.999 > 85 87 O 0.00221395570525 0.01246352988923 0.76970988154832 15.999 > 87 88 O 0.00221395570525 0.51246352988923 0.76970988154832 15.999 > 87 89 O 0.70789381605213 0.37469979667373 0.34914872292877 15.999 > 89 90 O 0.70789381605213 0.87469979667373 0.34914872292877 15.999 > 89 91 O 0.91127473507155 0.35051044240539 0.87049375073637 15.999 > 91 92 O 0.91127473507155 0.85051044240539 0.87049375073637 15.999 > 91 93 O 0.86507604795344 0.21465568203064 0.47093135143145 15.999 > 93 94 O 0.86507604795344 0.71465568203064 0.47093135143145 15.999 > 93 95 O 0.99778604429475 0.48753647011077 0.23029011845168 15.999 > 95 96 O 0.99778604429475 0.98753647011077 0.23029011845168 15.999 > 95 97 O 0.87695411436839 0.44992360835486 0.54067039142688 15.999 > 97 98 O 0.87695411436839 0.94992360835486 0.54067039142688 15.999 > 97 99 O 0.13492395204656 0.28534431796936 0.52906864856855 15.999 > 99 100 O 0.13492395204656 0.78534431796936 0.52906864856855 15.999 > 99 101 O 0.00221395570525 0.23753647011077 0.26970988154832 15.999 > 101 102 O 0.00221395570525 0.73753647011077 0.26970988154832 15.999 > 101 103 O 0.50723013057275 0.01647085253978 0.73526602246705 15.999 > 103 104 O 0.50723013057275 0.51647085253978 0.73526602246705 15.999 > 103 105 O 0.41164251690293 0.39299875534264 0.04234131510214 15.999 > 105 106 O 0.41164251690293 0.89299875534264 0.04234131510214 15.999 > 105 107 O 0.70789381605213 0.37530020332627 0.84914872292877 15.999 > 107 108 O 0.70789381605213 0.87530020332627 0.84914872292877 15.999 > 107 109 O 0.64198582238123 0.28417389302119 0.11142781881711 15.999 > 109 110 O 0.64198582238123 0.78417389302119 0.11142781881711 15.999 > 109 111 O 0.38245277376492 0.29898909256518 0.34136037954353 15.999 > 111 112 O 0.38245277376492 0.79898909256518 0.34136037954353 15.999 > 111 113 O 0.49276986942725 0.48352914746022 0.26473397753295 15.999 > 113 114 O 0.49276986942725 0.98352914746022 0.26473397753295 15.999 > 113 115 O 0.08872526492845 0.10051044240539 0.62950624926363 15.999 > 115 116 O 0.08872526492845 0.60051044240539 0.62950624926363 15.999 > 115 117 O 0.38245277376492 0.45101090743482 0.84136037954353 15.999 > 117 118 O 0.38245277376492 0.95101090743482 0.84136037954353 15.999 > 117 119 O 0.20879450417738 0.38848466802027 0.86090358421558 15.999 > 119 120 O 0.20879450417738 0.88848466802027 0.86090358421558 15.999 > 119 121 O 0.08872526492845 0.14948955759461 0.12950624926363 15.999 > 121 122 O 0.08872526492845 0.64948955759461 0.12950624926363 15.999 > 121 123 O 0.13492395204656 0.46465568203064 0.02906864856855 15.999 > 123 124 O 0.13492395204656 0.96465568203064 0.02906864856855 15.999 > 123 125 O 0.50723013057275 0.23352914746022 0.23526602246705 15.999 > 125 126 O 0.50723013057275 0.73352914746022 0.23526602246705 15.999 > 125 127 O 0.61754722623508 0.04898909256518 0.15863962045647 15.999 > 127 128 O 0.61754722623508 0.54898909256518 0.15863962045647 15.999 > 127 129 O 0.49276986942725 0.26647085253978 0.76473397753295 15.999 > 129 130 O 0.49276986942725 0.76647085253978 0.76473397753295 15.999 > 129 131 O 0.64198582238123 0.46582610697881 0.61142781881711 15.999 > 131 132 O 0.64198582238123 0.96582610697881 0.61142781881711 15.999 > 131 133 O 0.79120549582262 0.11151533197973 0.13909641578442 15.999 > 133 134 O 0.79120549582262 0.61151533197973 0.13909641578442 15.999 > 133 135 O 0.35801417761877 0.03417389302119 0.38857218118289 15.999 > 135 136 O 0.35801417761877 0.53417389302119 0.38857218118289 15.999 > 135 137 O 0.99778604429475 0.26246352988923 0.73029011845168 15.999 > 137 138 O 0.99778604429475 0.76246352988923 0.73029011845168 15.999 > 137 139 O 0.79120549582262 0.13848466802027 0.63909641578442 15.999 > 139 140 O 0.79120549582262 0.63848466802027 0.63909641578442 15.999 > 139 141 O 0.86507604795344 0.03534431796936 0.97093135143145 15.999 > 141 142 O 0.86507604795344 0.53534431796936 0.97093135143145 15.999 > 141 143 O 0.20879450417738 0.36151533197973 0.36090358421558 15.999 > 143 144 O 0.20879450417738 0.86151533197973 0.36090358421558 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3142278 0.0000000 -0.0172554 0.0000000 3.4907689 0.0000000 -0.0172554 0.0000000 3.3444416 -------------------------- Born effective charges -------------------------- 1 Na 1.0227985 0.0198635 -0.0455659 0.0065928 1.0881827 0.0227460 -0.1196037 -0.0188283 1.0894483 2 Na 1.1721751 -0.0126000 0.0500864 -0.0164984 1.0917348 -0.0433209 0.0065094 -0.0138679 0.9728380 3 Na 1.1721751 0.0126000 0.0500864 0.0164984 1.0917348 0.0433209 0.0065094 0.0138679 0.9728380 4 Na 0.9994359 0.0004802 -0.0989189 -0.0422372 1.1004219 0.0025415 -0.0258925 -0.0235477 1.1275619 5 Na 1.1721751 0.0126000 0.0500864 0.0164984 1.0917348 0.0433209 0.0065094 0.0138679 0.9728380 6 Na 1.0557933 -0.0079787 0.0819093 -0.0299425 1.1061780 0.0318236 0.1285946 0.0392201 1.1024656 7 Na 1.0557933 0.0079787 0.0819093 0.0299425 1.1061780 -0.0318236 0.1285946 -0.0392201 1.1024656 8 Na 1.0227985 -0.0198635 -0.0455659 -0.0065928 1.0881827 -0.0227460 -0.1196037 0.0188283 1.0894483 9 Na 0.9994359 -0.0004802 -0.0989189 0.0422372 1.1004219 -0.0025415 -0.0258925 0.0235477 1.1275619 10 Na 0.9994359 0.0004802 -0.0989189 -0.0422372 1.1004219 0.0025415 -0.0258925 -0.0235477 1.1275619 11 Na 1.0557933 0.0079787 0.0819093 0.0299425 1.1061780 -0.0318236 0.1285946 -0.0392201 1.1024656 12 Na 1.0227985 0.0198635 -0.0455659 0.0065928 1.0881827 0.0227460 -0.1196037 -0.0188283 1.0894483 13 Na 0.9994359 -0.0004802 -0.0989189 0.0422372 1.1004219 -0.0025415 -0.0258925 0.0235477 1.1275619 14 Na 1.1721751 -0.0126000 0.0500864 -0.0164984 1.0917348 -0.0433209 0.0065094 -0.0138679 0.9728380 15 Na 1.0227985 -0.0198635 -0.0455659 -0.0065928 1.0881827 -0.0227460 -0.1196037 0.0188283 1.0894483 16 Na 1.0557933 -0.0079787 0.0819093 -0.0299425 1.1061780 0.0318236 0.1285946 0.0392201 1.1024656 17 Zr 5.0724449 0.1878314 0.0191725 -0.2525919 5.9274585 0.5004888 -0.0807954 -0.5894325 5.4339166 18 Zr 5.0724449 0.1878314 0.0191725 -0.2525919 5.9274585 0.5004888 -0.0807954 -0.5894325 5.4339166 19 Zr 5.2892449 -0.5240438 -0.2032737 0.3998384 5.9666287 -0.3658795 -0.1035764 0.3944506 5.2183564 20 Zr 5.2892449 0.5240438 -0.2032737 -0.3998384 5.9666287 0.3658795 -0.1035764 -0.3944506 5.2183564 21 Zr 5.0724449 -0.1878314 0.0191725 0.2525919 5.9274585 -0.5004888 -0.0807954 0.5894325 5.4339166 22 Zr 5.2892449 -0.5240438 -0.2032737 0.3998384 5.9666287 -0.3658795 -0.1035764 0.3944506 5.2183564 23 Zr 5.2892449 0.5240438 -0.2032737 -0.3998384 5.9666287 0.3658795 -0.1035764 -0.3944506 5.2183564 24 Zr 5.0724449 -0.1878314 0.0191725 0.2525919 5.9274585 -0.5004888 -0.0807954 0.5894325 5.4339166 25 Si 3.6603148 0.1750401 0.0965164 -0.1375128 3.2934965 0.3633713 0.2806943 -0.3471920 3.5869181 26 Si 3.7657391 0.3136386 0.1876565 -0.3316759 3.2837538 0.2265496 0.0173629 -0.2576034 3.4862044 27 Si 3.7657391 -0.3136386 0.1876565 0.3316759 3.2837538 -0.2265496 0.0173629 0.2576034 3.4862044 28 Si 3.6603148 0.1750401 0.0965164 -0.1375128 3.2934965 0.3633713 0.2806943 -0.3471920 3.5869181 29 Si 3.7657391 -0.3136386 0.1876565 0.3316759 3.2837538 -0.2265496 0.0173629 0.2576034 3.4862044 30 Si 3.7657391 0.3136386 0.1876565 -0.3316759 3.2837538 0.2265496 0.0173629 -0.2576034 3.4862044 31 Si 3.6603148 -0.1750401 0.0965164 0.1375128 3.2934965 -0.3633713 0.2806943 0.3471920 3.5869181 32 Si 3.6603148 -0.1750401 0.0965164 0.1375128 3.2934965 -0.3633713 0.2806943 0.3471920 3.5869181 33 O -2.3982665 0.0483729 -1.3600664 0.1539124 -1.3598402 0.0253722 -1.1930028 0.1690584 -2.8962914 34 O -2.3982665 -0.0483729 -1.3600664 -0.1539124 -1.3598402 -0.0253722 -1.1930028 -0.1690584 -2.8962914 35 O -2.1641885 0.7721149 0.4506147 0.7659792 -2.5347817 -0.4809561 0.4820209 -0.5097754 -1.6435604 36 O -1.5548974 -0.0365853 -0.3610204 0.0103590 -1.3631338 0.1148442 -0.7734357 0.1415088 -3.4292485 37 O -1.3648641 0.0202400 0.0404214 0.0174922 -2.7283303 1.0013691 -0.0149079 1.2321345 -2.3672338 38 O -3.3899177 -0.1311097 0.3594083 -0.0630082 -1.3745049 0.0529335 0.7584038 0.1146614 -1.5557099 39 O -1.5548974 0.0365853 -0.3610204 -0.0103590 -1.3631338 -0.1148442 -0.7734357 -0.1415088 -3.4292485 40 O -1.5548974 -0.0365853 -0.3610204 0.0103590 -1.3631338 0.1148442 -0.7734357 0.1415088 -3.4292485 41 O -2.0846541 1.0542223 0.4382640 0.8874647 -2.7562609 -0.5104584 0.4960574 -0.6488871 -1.6383421 42 O -1.3648641 -0.0202400 0.0404214 -0.0174922 -2.7283303 -1.0013691 -0.0149079 -1.2321345 -2.3672338 43 O -1.3648641 0.0202400 0.0404214 0.0174922 -2.7283303 1.0013691 -0.0149079 1.2321345 -2.3672338 44 O -1.2775034 0.1264868 -0.1256054 0.1394813 -3.3984829 2.0417060 -0.0356311 1.5183618 -2.9769806 45 O -2.3982665 0.0483729 -1.3600664 0.1539124 -1.3598402 0.0253722 -1.1930028 0.1690584 -2.8962914 46 O -3.3899177 0.1311097 0.3594083 0.0630082 -1.3745049 -0.0529335 0.7584038 -0.1146614 -1.5557099 47 O -1.3737247 -0.0223518 0.0222188 0.0038999 -2.5436998 0.9114355 -0.0115689 0.9465344 -2.4514849 48 O -1.2775034 0.1264868 -0.1256054 0.1394813 -3.3984829 2.0417060 -0.0356311 1.5183618 -2.9769806 49 O -1.3648641 -0.0202400 0.0404214 -0.0174922 -2.7283303 -1.0013691 -0.0149079 -1.2321345 -2.3672338 50 O -1.3737247 -0.0223518 0.0222188 0.0038999 -2.5436998 0.9114355 -0.0115689 0.9465344 -2.4514849 51 O -1.2775034 -0.1264868 -0.1256054 -0.1394813 -3.3984829 -2.0417060 -0.0356311 -1.5183618 -2.9769806 52 O -2.5760559 1.3614641 0.7417319 1.8143414 -3.4299781 -0.9396902 0.6576868 -0.6817351 -1.6558367 53 O -1.5548974 0.0365853 -0.3610204 -0.0103590 -1.3631338 -0.1148442 -0.7734357 -0.1415088 -3.4292485 54 O -2.3982665 -0.0483729 -1.3600664 -0.1539124 -1.3598402 -0.0253722 -1.1930028 -0.1690584 -2.8962914 55 O -2.1641885 0.7721149 0.4506147 0.7659792 -2.5347817 -0.4809561 0.4820209 -0.5097754 -1.6435604 56 O -2.0846541 1.0542223 0.4382640 0.8874647 -2.7562609 -0.5104584 0.4960574 -0.6488871 -1.6383421 57 O -2.5760559 1.3614641 0.7417319 1.8143414 -3.4299781 -0.9396902 0.6576868 -0.6817351 -1.6558367 58 O -3.3899177 -0.1311097 0.3594083 -0.0630082 -1.3745049 0.0529335 0.7584038 0.1146614 -1.5557099 59 O -2.0846541 -1.0542223 0.4382640 -0.8874647 -2.7562609 0.5104584 0.4960574 0.6488871 -1.6383421 60 O -3.8538743 0.0365096 -0.2935496 -0.0584670 -1.3688422 0.0401662 -0.4689156 0.0391022 -1.4030209 61 O -3.3899177 0.1311097 0.3594083 0.0630082 -1.3745049 -0.0529335 0.7584038 -0.1146614 -1.5557099 62 O -1.3737247 0.0223518 0.0222188 -0.0038999 -2.5436998 -0.9114355 -0.0115689 -0.9465344 -2.4514849 63 O -2.5760559 -1.3614641 0.7417319 -1.8143414 -3.4299781 0.9396902 0.6576868 0.6817351 -1.6558367 64 O -2.0846541 -1.0542223 0.4382640 -0.8874647 -2.7562609 0.5104584 0.4960574 0.6488871 -1.6383421 65 O -2.5760559 -1.3614641 0.7417319 -1.8143414 -3.4299781 0.9396902 0.6576868 0.6817351 -1.6558367 66 O -2.1641885 -0.7721149 0.4506147 -0.7659792 -2.5347817 0.4809561 0.4820209 0.5097754 -1.6435604 67 O -3.8538743 0.0365096 -0.2935496 -0.0584670 -1.3688422 0.0401662 -0.4689156 0.0391022 -1.4030209 68 O -2.1641885 -0.7721149 0.4506147 -0.7659792 -2.5347817 0.4809561 0.4820209 0.5097754 -1.6435604 69 O -1.2775034 -0.1264868 -0.1256054 -0.1394813 -3.3984829 -2.0417060 -0.0356311 -1.5183618 -2.9769806 70 O -3.8538743 -0.0365096 -0.2935496 0.0584670 -1.3688422 -0.0401662 -0.4689156 -0.0391022 -1.4030209 71 O -1.3737247 0.0223518 0.0222188 -0.0038999 -2.5436998 -0.9114355 -0.0115689 -0.9465344 -2.4514849 72 O -3.8538743 -0.0365096 -0.2935496 0.0584670 -1.3688422 -0.0401662 -0.4689156 -0.0391022 -1.4030209 ---------------------------------------------------------------------------- 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 7, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 51, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 69, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 71, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 75, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 87, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 93, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 103, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 119, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000101 (zzz) 0.00000101 (zzz) 0.00000101 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000031 (xz) 0.00000031 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:55:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:55:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.875000690027692 0.000000000000000 0.000000000000000 b 0.000000000000000 5.469823249999999 0.000000000000000 c -6.704485899886310 0.000000000000000 11.947980864498792 Atomic positions (fractional): 1 Na 0.07630640446035 0.73445454670536 0.14634855820980 22.990 2 Na 0.82025891530181 0.73860797713197 0.67172719612345 22.990 3 Na 0.82025891530181 0.76139202286803 0.17172719612345 22.990 4 Na 0.42183096380111 0.23464477616035 0.06845358783922 22.990 5 Na 0.17974108469819 0.23860797713197 0.82827280387655 22.990 6 Na 0.31943355866884 0.75665982285419 0.64904896902205 22.990 7 Na 0.31943355866884 0.74334017714581 0.14904896902205 22.990 8 Na 0.07630640446035 0.76554545329464 0.64634855820980 22.990 9 Na 0.42183096380111 0.26535522383965 0.56845358783922 22.990 10 Na 0.57816903619889 0.76535522383965 0.93154641216078 22.990 11 Na 0.68056644133116 0.25665982285419 0.85095103097795 22.990 12 Na 0.92369359553965 0.26554545329464 0.85365144179020 22.990 13 Na 0.57816903619889 0.73464477616035 0.43154641216078 22.990 14 Na 0.17974108469819 0.26139202286803 0.32827280387655 22.990 15 Na 0.92369359553965 0.23445454670536 0.35365144179020 22.990 16 Na 0.68056644133116 0.24334017714581 0.35095103097795 22.990 17 Zr 0.06502777804787 0.73571353030789 0.87215073186306 91.224 18 Zr 0.93497222195213 0.26428646969211 0.12784926813694 91.224 19 Zr 0.43502219285687 0.26169391295915 0.30674704196987 91.224 20 Zr 0.56497780714313 0.76169391295915 0.19325295803013 91.224 21 Zr 0.06502777804787 0.76428646969211 0.37215073186306 91.224 22 Zr 0.56497780714313 0.73830608704085 0.69325295803013 91.224 23 Zr 0.43502219285687 0.23830608704085 0.80674704196987 91.224 24 Zr 0.93497222195213 0.23571353030789 0.62784926813694 91.224 25 Si 0.84099535634722 0.71967251031616 0.43320115506265 28.085 26 Si 0.34058105281101 0.77718389721932 0.40828692891701 28.085 27 Si 0.65941894718899 0.27718389721932 0.09171307108299 28.085 28 Si 0.15900464365278 0.28032748968384 0.56679884493735 28.085 29 Si 0.34058105281101 0.72281610278068 0.90828692891701 28.085 30 Si 0.65941894718899 0.22281610278068 0.59171307108299 28.085 31 Si 0.15900464365278 0.21967251031616 0.06679884493735 28.085 32 Si 0.84099535634722 0.78032748968384 0.93320115506265 28.085 33 O 0.29210618394787 0.25060040665253 0.65085127707123 15.999 34 O 0.29210618394787 0.24939959334747 0.15085127707123 15.999 35 O 0.35801417761877 0.43165221395761 0.88857218118289 15.999 36 O 0.58835748309707 0.28599751068528 0.45765868489786 15.999 37 O 0.87695411436839 0.60015278329028 0.04067039142688 15.999 38 O 0.91127473507155 0.79897911518922 0.37049375073637 15.999 39 O 0.58835748309707 0.21400248931472 0.95765868489786 15.999 40 O 0.41164251690293 0.71400248931472 0.54234131510214 15.999 41 O 0.61754722623508 0.40202181486965 0.65863962045647 15.999 42 O 0.12304588563161 0.10015278329028 0.45932960857312 15.999 43 O 0.12304588563161 0.39984721670972 0.95932960857312 15.999 44 O 0.00221395570525 0.02492705977847 0.76970988154832 15.999 45 O 0.70789381605213 0.74939959334747 0.34914872292877 15.999 46 O 0.91127473507155 0.70102088481078 0.87049375073637 15.999 47 O 0.86507604795344 0.42931136406129 0.47093135143145 15.999 48 O 0.99778604429475 0.97507294022153 0.23029011845168 15.999 49 O 0.87695411436839 0.89984721670972 0.54067039142688 15.999 50 O 0.13492395204656 0.57068863593871 0.52906864856855 15.999 51 O 0.00221395570525 0.47507294022153 0.26970988154832 15.999 52 O 0.50723013057275 0.03294170507957 0.73526602246705 15.999 53 O 0.41164251690293 0.78599751068528 0.04234131510214 15.999 54 O 0.70789381605213 0.75060040665253 0.84914872292877 15.999 55 O 0.64198582238123 0.56834778604239 0.11142781881711 15.999 56 O 0.38245277376492 0.59797818513035 0.34136037954353 15.999 57 O 0.49276986942725 0.96705829492044 0.26473397753295 15.999 58 O 0.08872526492845 0.20102088481078 0.62950624926363 15.999 59 O 0.38245277376492 0.90202181486965 0.84136037954353 15.999 60 O 0.20879450417738 0.77696933604054 0.86090358421558 15.999 61 O 0.08872526492845 0.29897911518922 0.12950624926363 15.999 62 O 0.13492395204656 0.92931136406129 0.02906864856855 15.999 63 O 0.50723013057275 0.46705829492043 0.23526602246705 15.999 64 O 0.61754722623508 0.09797818513035 0.15863962045647 15.999 65 O 0.49276986942725 0.53294170507956 0.76473397753295 15.999 66 O 0.64198582238123 0.93165221395761 0.61142781881711 15.999 67 O 0.79120549582262 0.22303066395946 0.13909641578442 15.999 68 O 0.35801417761877 0.06834778604239 0.38857218118289 15.999 69 O 0.99778604429475 0.52492705977847 0.73029011845168 15.999 70 O 0.79120549582262 0.27696933604054 0.63909641578442 15.999 71 O 0.86507604795344 0.07068863593871 0.97093135143145 15.999 72 O 0.20879450417738 0.72303066395946 0.36090358421558 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.875000690027692 0.000000000000000 0.000000000000000 b 0.000000000000000 10.939646499999998 0.000000000000000 c -6.704485899886310 0.000000000000000 11.947980864498792 Atomic positions (fractional): 1 Na 0.07630640446035 0.36722727335268 0.14634855820980 22.990 > 1 2 Na 0.07630640446035 0.86722727335268 0.14634855820980 22.990 > 1 3 Na 0.82025891530181 0.36930398856598 0.67172719612345 22.990 > 3 4 Na 0.82025891530181 0.86930398856598 0.67172719612345 22.990 > 3 5 Na 0.82025891530181 0.38069601143402 0.17172719612345 22.990 > 5 6 Na 0.82025891530181 0.88069601143402 0.17172719612345 22.990 > 5 7 Na 0.42183096380111 0.11732238808018 0.06845358783922 22.990 > 7 8 Na 0.42183096380111 0.61732238808018 0.06845358783922 22.990 > 7 9 Na 0.17974108469819 0.11930398856598 0.82827280387655 22.990 > 9 10 Na 0.17974108469819 0.61930398856598 0.82827280387655 22.990 > 9 11 Na 0.31943355866884 0.37832991142709 0.64904896902205 22.990 > 11 12 Na 0.31943355866884 0.87832991142709 0.64904896902205 22.990 > 11 13 Na 0.31943355866884 0.37167008857291 0.14904896902205 22.990 > 13 14 Na 0.31943355866884 0.87167008857291 0.14904896902205 22.990 > 13 15 Na 0.07630640446035 0.38277272664732 0.64634855820980 22.990 > 15 16 Na 0.07630640446035 0.88277272664732 0.64634855820980 22.990 > 15 17 Na 0.42183096380111 0.13267761191982 0.56845358783922 22.990 > 17 18 Na 0.42183096380111 0.63267761191982 0.56845358783922 22.990 > 17 19 Na 0.57816903619889 0.38267761191983 0.93154641216078 22.990 > 19 20 Na 0.57816903619889 0.88267761191982 0.93154641216078 22.990 > 19 21 Na 0.68056644133116 0.12832991142709 0.85095103097795 22.990 > 21 22 Na 0.68056644133116 0.62832991142709 0.85095103097795 22.990 > 21 23 Na 0.92369359553965 0.13277272664732 0.85365144179020 22.990 > 23 24 Na 0.92369359553965 0.63277272664732 0.85365144179020 22.990 > 23 25 Na 0.57816903619889 0.36732238808017 0.43154641216078 22.990 > 25 26 Na 0.57816903619889 0.86732238808018 0.43154641216078 22.990 > 25 27 Na 0.17974108469819 0.13069601143402 0.32827280387655 22.990 > 27 28 Na 0.17974108469819 0.63069601143402 0.32827280387655 22.990 > 27 29 Na 0.92369359553965 0.11722727335268 0.35365144179020 22.990 > 29 30 Na 0.92369359553965 0.61722727335268 0.35365144179020 22.990 > 29 31 Na 0.68056644133116 0.12167008857291 0.35095103097795 22.990 > 31 32 Na 0.68056644133116 0.62167008857291 0.35095103097795 22.990 > 31 33 Zr 0.06502777804787 0.36785676515395 0.87215073186306 91.224 > 33 34 Zr 0.06502777804787 0.86785676515395 0.87215073186306 91.224 > 33 35 Zr 0.93497222195213 0.13214323484605 0.12784926813694 91.224 > 35 36 Zr 0.93497222195213 0.63214323484605 0.12784926813694 91.224 > 35 37 Zr 0.43502219285687 0.13084695647958 0.30674704196987 91.224 > 37 38 Zr 0.43502219285687 0.63084695647958 0.30674704196987 91.224 > 37 39 Zr 0.56497780714313 0.38084695647958 0.19325295803013 91.224 > 39 40 Zr 0.56497780714313 0.88084695647958 0.19325295803013 91.224 > 39 41 Zr 0.06502777804787 0.38214323484605 0.37215073186306 91.224 > 41 42 Zr 0.06502777804787 0.88214323484605 0.37215073186306 91.224 > 41 43 Zr 0.56497780714313 0.36915304352042 0.69325295803013 91.224 > 43 44 Zr 0.56497780714313 0.86915304352042 0.69325295803013 91.224 > 43 45 Zr 0.43502219285687 0.11915304352042 0.80674704196987 91.224 > 45 46 Zr 0.43502219285687 0.61915304352042 0.80674704196987 91.224 > 45 47 Zr 0.93497222195213 0.11785676515395 0.62784926813694 91.224 > 47 48 Zr 0.93497222195213 0.61785676515395 0.62784926813694 91.224 > 47 49 Si 0.84099535634722 0.35983625515808 0.43320115506265 28.085 > 49 50 Si 0.84099535634722 0.85983625515808 0.43320115506265 28.085 > 49 51 Si 0.34058105281101 0.38859194860966 0.40828692891701 28.085 > 51 52 Si 0.34058105281101 0.88859194860966 0.40828692891701 28.085 > 51 53 Si 0.65941894718899 0.13859194860966 0.09171307108299 28.085 > 53 54 Si 0.65941894718899 0.63859194860966 0.09171307108299 28.085 > 53 55 Si 0.15900464365278 0.14016374484192 0.56679884493735 28.085 > 55 56 Si 0.15900464365278 0.64016374484192 0.56679884493735 28.085 > 55 57 Si 0.34058105281101 0.36140805139034 0.90828692891701 28.085 > 57 58 Si 0.34058105281101 0.86140805139034 0.90828692891701 28.085 > 57 59 Si 0.65941894718899 0.11140805139034 0.59171307108299 28.085 > 59 60 Si 0.65941894718899 0.61140805139034 0.59171307108299 28.085 > 59 61 Si 0.15900464365278 0.10983625515808 0.06679884493735 28.085 > 61 62 Si 0.15900464365278 0.60983625515808 0.06679884493735 28.085 > 61 63 Si 0.84099535634722 0.39016374484192 0.93320115506265 28.085 > 63 64 Si 0.84099535634722 0.89016374484192 0.93320115506265 28.085 > 63 65 O 0.29210618394787 0.12530020332627 0.65085127707123 15.999 > 65 66 O 0.29210618394787 0.62530020332627 0.65085127707123 15.999 > 65 67 O 0.29210618394787 0.12469979667373 0.15085127707123 15.999 > 67 68 O 0.29210618394787 0.62469979667373 0.15085127707123 15.999 > 67 69 O 0.35801417761877 0.21582610697881 0.88857218118289 15.999 > 69 70 O 0.35801417761877 0.71582610697881 0.88857218118289 15.999 > 69 71 O 0.58835748309707 0.14299875534264 0.45765868489786 15.999 > 71 72 O 0.58835748309707 0.64299875534264 0.45765868489786 15.999 > 71 73 O 0.87695411436839 0.30007639164514 0.04067039142688 15.999 > 73 74 O 0.87695411436839 0.80007639164514 0.04067039142688 15.999 > 73 75 O 0.91127473507155 0.39948955759461 0.37049375073637 15.999 > 75 76 O 0.91127473507155 0.89948955759461 0.37049375073637 15.999 > 75 77 O 0.58835748309707 0.10700124465736 0.95765868489786 15.999 > 77 78 O 0.58835748309707 0.60700124465736 0.95765868489786 15.999 > 77 79 O 0.41164251690293 0.35700124465736 0.54234131510214 15.999 > 79 80 O 0.41164251690293 0.85700124465736 0.54234131510214 15.999 > 79 81 O 0.61754722623508 0.20101090743482 0.65863962045647 15.999 > 81 82 O 0.61754722623508 0.70101090743482 0.65863962045647 15.999 > 81 83 O 0.12304588563161 0.05007639164514 0.45932960857312 15.999 > 83 84 O 0.12304588563161 0.55007639164514 0.45932960857312 15.999 > 83 85 O 0.12304588563161 0.19992360835486 0.95932960857312 15.999 > 85 86 O 0.12304588563161 0.69992360835486 0.95932960857312 15.999 > 85 87 O 0.00221395570525 0.01246352988923 0.76970988154832 15.999 > 87 88 O 0.00221395570525 0.51246352988923 0.76970988154832 15.999 > 87 89 O 0.70789381605213 0.37469979667373 0.34914872292877 15.999 > 89 90 O 0.70789381605213 0.87469979667373 0.34914872292877 15.999 > 89 91 O 0.91127473507155 0.35051044240539 0.87049375073637 15.999 > 91 92 O 0.91127473507155 0.85051044240539 0.87049375073637 15.999 > 91 93 O 0.86507604795344 0.21465568203064 0.47093135143145 15.999 > 93 94 O 0.86507604795344 0.71465568203064 0.47093135143145 15.999 > 93 95 O 0.99778604429475 0.48753647011077 0.23029011845168 15.999 > 95 96 O 0.99778604429475 0.98753647011077 0.23029011845168 15.999 > 95 97 O 0.87695411436839 0.44992360835486 0.54067039142688 15.999 > 97 98 O 0.87695411436839 0.94992360835486 0.54067039142688 15.999 > 97 99 O 0.13492395204656 0.28534431796936 0.52906864856855 15.999 > 99 100 O 0.13492395204656 0.78534431796936 0.52906864856855 15.999 > 99 101 O 0.00221395570525 0.23753647011077 0.26970988154832 15.999 > 101 102 O 0.00221395570525 0.73753647011077 0.26970988154832 15.999 > 101 103 O 0.50723013057275 0.01647085253978 0.73526602246705 15.999 > 103 104 O 0.50723013057275 0.51647085253978 0.73526602246705 15.999 > 103 105 O 0.41164251690293 0.39299875534264 0.04234131510214 15.999 > 105 106 O 0.41164251690293 0.89299875534264 0.04234131510214 15.999 > 105 107 O 0.70789381605213 0.37530020332627 0.84914872292877 15.999 > 107 108 O 0.70789381605213 0.87530020332627 0.84914872292877 15.999 > 107 109 O 0.64198582238123 0.28417389302119 0.11142781881711 15.999 > 109 110 O 0.64198582238123 0.78417389302119 0.11142781881711 15.999 > 109 111 O 0.38245277376492 0.29898909256518 0.34136037954353 15.999 > 111 112 O 0.38245277376492 0.79898909256518 0.34136037954353 15.999 > 111 113 O 0.49276986942725 0.48352914746022 0.26473397753295 15.999 > 113 114 O 0.49276986942725 0.98352914746022 0.26473397753295 15.999 > 113 115 O 0.08872526492845 0.10051044240539 0.62950624926363 15.999 > 115 116 O 0.08872526492845 0.60051044240539 0.62950624926363 15.999 > 115 117 O 0.38245277376492 0.45101090743482 0.84136037954353 15.999 > 117 118 O 0.38245277376492 0.95101090743482 0.84136037954353 15.999 > 117 119 O 0.20879450417738 0.38848466802027 0.86090358421558 15.999 > 119 120 O 0.20879450417738 0.88848466802027 0.86090358421558 15.999 > 119 121 O 0.08872526492845 0.14948955759461 0.12950624926363 15.999 > 121 122 O 0.08872526492845 0.64948955759461 0.12950624926363 15.999 > 121 123 O 0.13492395204656 0.46465568203064 0.02906864856855 15.999 > 123 124 O 0.13492395204656 0.96465568203064 0.02906864856855 15.999 > 123 125 O 0.50723013057275 0.23352914746022 0.23526602246705 15.999 > 125 126 O 0.50723013057275 0.73352914746022 0.23526602246705 15.999 > 125 127 O 0.61754722623508 0.04898909256518 0.15863962045647 15.999 > 127 128 O 0.61754722623508 0.54898909256518 0.15863962045647 15.999 > 127 129 O 0.49276986942725 0.26647085253978 0.76473397753295 15.999 > 129 130 O 0.49276986942725 0.76647085253978 0.76473397753295 15.999 > 129 131 O 0.64198582238123 0.46582610697881 0.61142781881711 15.999 > 131 132 O 0.64198582238123 0.96582610697881 0.61142781881711 15.999 > 131 133 O 0.79120549582262 0.11151533197973 0.13909641578442 15.999 > 133 134 O 0.79120549582262 0.61151533197973 0.13909641578442 15.999 > 133 135 O 0.35801417761877 0.03417389302119 0.38857218118289 15.999 > 135 136 O 0.35801417761877 0.53417389302119 0.38857218118289 15.999 > 135 137 O 0.99778604429475 0.26246352988923 0.73029011845168 15.999 > 137 138 O 0.99778604429475 0.76246352988923 0.73029011845168 15.999 > 137 139 O 0.79120549582262 0.13848466802027 0.63909641578442 15.999 > 139 140 O 0.79120549582262 0.63848466802027 0.63909641578442 15.999 > 139 141 O 0.86507604795344 0.03534431796936 0.97093135143145 15.999 > 141 142 O 0.86507604795344 0.53534431796936 0.97093135143145 15.999 > 141 143 O 0.20879450417738 0.36151533197973 0.36090358421558 15.999 > 143 144 O 0.20879450417738 0.86151533197973 0.36090358421558 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3142278 0.0000000 -0.0172554 0.0000000 3.4907689 0.0000000 -0.0172554 0.0000000 3.3444416 -------------------------- Born effective charges -------------------------- 1 Na 1.0227985 0.0198635 -0.0455659 0.0065928 1.0881827 0.0227460 -0.1196037 -0.0188283 1.0894483 2 Na 1.1721751 -0.0126000 0.0500864 -0.0164984 1.0917348 -0.0433209 0.0065094 -0.0138679 0.9728380 3 Na 1.1721751 0.0126000 0.0500864 0.0164984 1.0917348 0.0433209 0.0065094 0.0138679 0.9728380 4 Na 0.9994359 0.0004802 -0.0989189 -0.0422372 1.1004219 0.0025415 -0.0258925 -0.0235477 1.1275619 5 Na 1.1721751 0.0126000 0.0500864 0.0164984 1.0917348 0.0433209 0.0065094 0.0138679 0.9728380 6 Na 1.0557933 -0.0079787 0.0819093 -0.0299425 1.1061780 0.0318236 0.1285946 0.0392201 1.1024656 7 Na 1.0557933 0.0079787 0.0819093 0.0299425 1.1061780 -0.0318236 0.1285946 -0.0392201 1.1024656 8 Na 1.0227985 -0.0198635 -0.0455659 -0.0065928 1.0881827 -0.0227460 -0.1196037 0.0188283 1.0894483 9 Na 0.9994359 -0.0004802 -0.0989189 0.0422372 1.1004219 -0.0025415 -0.0258925 0.0235477 1.1275619 10 Na 0.9994359 0.0004802 -0.0989189 -0.0422372 1.1004219 0.0025415 -0.0258925 -0.0235477 1.1275619 11 Na 1.0557933 0.0079787 0.0819093 0.0299425 1.1061780 -0.0318236 0.1285946 -0.0392201 1.1024656 12 Na 1.0227985 0.0198635 -0.0455659 0.0065928 1.0881827 0.0227460 -0.1196037 -0.0188283 1.0894483 13 Na 0.9994359 -0.0004802 -0.0989189 0.0422372 1.1004219 -0.0025415 -0.0258925 0.0235477 1.1275619 14 Na 1.1721751 -0.0126000 0.0500864 -0.0164984 1.0917348 -0.0433209 0.0065094 -0.0138679 0.9728380 15 Na 1.0227985 -0.0198635 -0.0455659 -0.0065928 1.0881827 -0.0227460 -0.1196037 0.0188283 1.0894483 16 Na 1.0557933 -0.0079787 0.0819093 -0.0299425 1.1061780 0.0318236 0.1285946 0.0392201 1.1024656 17 Zr 5.0724449 0.1878314 0.0191725 -0.2525919 5.9274585 0.5004888 -0.0807954 -0.5894325 5.4339166 18 Zr 5.0724449 0.1878314 0.0191725 -0.2525919 5.9274585 0.5004888 -0.0807954 -0.5894325 5.4339166 19 Zr 5.2892449 -0.5240438 -0.2032737 0.3998384 5.9666287 -0.3658795 -0.1035764 0.3944506 5.2183564 20 Zr 5.2892449 0.5240438 -0.2032737 -0.3998384 5.9666287 0.3658795 -0.1035764 -0.3944506 5.2183564 21 Zr 5.0724449 -0.1878314 0.0191725 0.2525919 5.9274585 -0.5004888 -0.0807954 0.5894325 5.4339166 22 Zr 5.2892449 -0.5240438 -0.2032737 0.3998384 5.9666287 -0.3658795 -0.1035764 0.3944506 5.2183564 23 Zr 5.2892449 0.5240438 -0.2032737 -0.3998384 5.9666287 0.3658795 -0.1035764 -0.3944506 5.2183564 24 Zr 5.0724449 -0.1878314 0.0191725 0.2525919 5.9274585 -0.5004888 -0.0807954 0.5894325 5.4339166 25 Si 3.6603148 0.1750401 0.0965164 -0.1375128 3.2934965 0.3633713 0.2806943 -0.3471920 3.5869181 26 Si 3.7657391 0.3136386 0.1876565 -0.3316759 3.2837538 0.2265496 0.0173629 -0.2576034 3.4862044 27 Si 3.7657391 -0.3136386 0.1876565 0.3316759 3.2837538 -0.2265496 0.0173629 0.2576034 3.4862044 28 Si 3.6603148 0.1750401 0.0965164 -0.1375128 3.2934965 0.3633713 0.2806943 -0.3471920 3.5869181 29 Si 3.7657391 -0.3136386 0.1876565 0.3316759 3.2837538 -0.2265496 0.0173629 0.2576034 3.4862044 30 Si 3.7657391 0.3136386 0.1876565 -0.3316759 3.2837538 0.2265496 0.0173629 -0.2576034 3.4862044 31 Si 3.6603148 -0.1750401 0.0965164 0.1375128 3.2934965 -0.3633713 0.2806943 0.3471920 3.5869181 32 Si 3.6603148 -0.1750401 0.0965164 0.1375128 3.2934965 -0.3633713 0.2806943 0.3471920 3.5869181 33 O -2.3982665 0.0483729 -1.3600664 0.1539124 -1.3598402 0.0253722 -1.1930028 0.1690584 -2.8962914 34 O -2.3982665 -0.0483729 -1.3600664 -0.1539124 -1.3598402 -0.0253722 -1.1930028 -0.1690584 -2.8962914 35 O -2.1641885 0.7721149 0.4506147 0.7659792 -2.5347817 -0.4809561 0.4820209 -0.5097754 -1.6435604 36 O -1.5548974 -0.0365853 -0.3610204 0.0103590 -1.3631338 0.1148442 -0.7734357 0.1415088 -3.4292485 37 O -1.3648641 0.0202400 0.0404214 0.0174922 -2.7283303 1.0013691 -0.0149079 1.2321345 -2.3672338 38 O -3.3899177 -0.1311097 0.3594083 -0.0630082 -1.3745049 0.0529335 0.7584038 0.1146614 -1.5557099 39 O -1.5548974 0.0365853 -0.3610204 -0.0103590 -1.3631338 -0.1148442 -0.7734357 -0.1415088 -3.4292485 40 O -1.5548974 -0.0365853 -0.3610204 0.0103590 -1.3631338 0.1148442 -0.7734357 0.1415088 -3.4292485 41 O -2.0846541 1.0542223 0.4382640 0.8874647 -2.7562609 -0.5104584 0.4960574 -0.6488871 -1.6383421 42 O -1.3648641 -0.0202400 0.0404214 -0.0174922 -2.7283303 -1.0013691 -0.0149079 -1.2321345 -2.3672338 43 O -1.3648641 0.0202400 0.0404214 0.0174922 -2.7283303 1.0013691 -0.0149079 1.2321345 -2.3672338 44 O -1.2775034 0.1264868 -0.1256054 0.1394813 -3.3984829 2.0417060 -0.0356311 1.5183618 -2.9769806 45 O -2.3982665 0.0483729 -1.3600664 0.1539124 -1.3598402 0.0253722 -1.1930028 0.1690584 -2.8962914 46 O -3.3899177 0.1311097 0.3594083 0.0630082 -1.3745049 -0.0529335 0.7584038 -0.1146614 -1.5557099 47 O -1.3737247 -0.0223518 0.0222188 0.0038999 -2.5436998 0.9114355 -0.0115689 0.9465344 -2.4514849 48 O -1.2775034 0.1264868 -0.1256054 0.1394813 -3.3984829 2.0417060 -0.0356311 1.5183618 -2.9769806 49 O -1.3648641 -0.0202400 0.0404214 -0.0174922 -2.7283303 -1.0013691 -0.0149079 -1.2321345 -2.3672338 50 O -1.3737247 -0.0223518 0.0222188 0.0038999 -2.5436998 0.9114355 -0.0115689 0.9465344 -2.4514849 51 O -1.2775034 -0.1264868 -0.1256054 -0.1394813 -3.3984829 -2.0417060 -0.0356311 -1.5183618 -2.9769806 52 O -2.5760559 1.3614641 0.7417319 1.8143414 -3.4299781 -0.9396902 0.6576868 -0.6817351 -1.6558367 53 O -1.5548974 0.0365853 -0.3610204 -0.0103590 -1.3631338 -0.1148442 -0.7734357 -0.1415088 -3.4292485 54 O -2.3982665 -0.0483729 -1.3600664 -0.1539124 -1.3598402 -0.0253722 -1.1930028 -0.1690584 -2.8962914 55 O -2.1641885 0.7721149 0.4506147 0.7659792 -2.5347817 -0.4809561 0.4820209 -0.5097754 -1.6435604 56 O -2.0846541 1.0542223 0.4382640 0.8874647 -2.7562609 -0.5104584 0.4960574 -0.6488871 -1.6383421 57 O -2.5760559 1.3614641 0.7417319 1.8143414 -3.4299781 -0.9396902 0.6576868 -0.6817351 -1.6558367 58 O -3.3899177 -0.1311097 0.3594083 -0.0630082 -1.3745049 0.0529335 0.7584038 0.1146614 -1.5557099 59 O -2.0846541 -1.0542223 0.4382640 -0.8874647 -2.7562609 0.5104584 0.4960574 0.6488871 -1.6383421 60 O -3.8538743 0.0365096 -0.2935496 -0.0584670 -1.3688422 0.0401662 -0.4689156 0.0391022 -1.4030209 61 O -3.3899177 0.1311097 0.3594083 0.0630082 -1.3745049 -0.0529335 0.7584038 -0.1146614 -1.5557099 62 O -1.3737247 0.0223518 0.0222188 -0.0038999 -2.5436998 -0.9114355 -0.0115689 -0.9465344 -2.4514849 63 O -2.5760559 -1.3614641 0.7417319 -1.8143414 -3.4299781 0.9396902 0.6576868 0.6817351 -1.6558367 64 O -2.0846541 -1.0542223 0.4382640 -0.8874647 -2.7562609 0.5104584 0.4960574 0.6488871 -1.6383421 65 O -2.5760559 -1.3614641 0.7417319 -1.8143414 -3.4299781 0.9396902 0.6576868 0.6817351 -1.6558367 66 O -2.1641885 -0.7721149 0.4506147 -0.7659792 -2.5347817 0.4809561 0.4820209 0.5097754 -1.6435604 67 O -3.8538743 0.0365096 -0.2935496 -0.0584670 -1.3688422 0.0401662 -0.4689156 0.0391022 -1.4030209 68 O -2.1641885 -0.7721149 0.4506147 -0.7659792 -2.5347817 0.4809561 0.4820209 0.5097754 -1.6435604 69 O -1.2775034 -0.1264868 -0.1256054 -0.1394813 -3.3984829 -2.0417060 -0.0356311 -1.5183618 -2.9769806 70 O -3.8538743 -0.0365096 -0.2935496 0.0584670 -1.3688422 -0.0401662 -0.4689156 -0.0391022 -1.4030209 71 O -1.3737247 0.0223518 0.0222188 -0.0038999 -2.5436998 -0.9114355 -0.0115689 -0.9465344 -2.4514849 72 O -3.8538743 -0.0365096 -0.2935496 0.0584670 -1.3688422 -0.0401662 -0.4689156 -0.0391022 -1.4030209 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000101 (zzz) 0.00000101 (zzz) 0.00000101 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 323, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -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 1.591 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 2.441 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.392 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.145 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.362 ( 0.000 0.000 0.000) 0.000 4.402 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.645 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.698 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 4.885 ( 0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 5.211 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.242 ( 0.000 0.000 0.000) 0.000 5.339 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.541 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.683 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.731 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 5.992 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.052 ( 0.000 0.000 0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.077 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.337 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.456 ( 0.000 0.000 0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 6.626 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.934 ( 0.000 0.000 0.000) 0.000 7.059 ( 0.000 0.000 0.000) 0.000 7.167 ( 0.000 0.000 0.000) 0.000 7.203 ( 0.000 0.000 0.000) 0.000 7.215 ( 0.000 0.000 0.000) 0.000 7.311 ( 0.000 0.000 0.000) 0.000 7.388 ( 0.000 0.000 0.000) 0.000 7.392 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 7.678 ( 0.000 0.000 0.000) 0.000 7.689 ( 0.000 0.000 0.000) 0.000 7.728 ( 0.000 0.000 0.000) 0.000 7.858 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 8.057 ( 0.000 0.000 0.000) 0.000 8.090 ( 0.000 0.000 0.000) 0.000 8.218 ( 0.000 0.000 0.000) 0.000 8.355 ( 0.000 0.000 0.000) 0.000 8.502 ( 0.000 0.000 0.000) 0.000 8.521 ( 0.000 0.000 0.000) 0.000 8.558 ( 0.000 0.000 0.000) 0.000 8.624 ( 0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 8.756 ( 0.000 0.000 0.000) 0.000 8.854 ( 0.000 0.000 0.000) 0.000 8.997 ( 0.000 0.000 0.000) 0.000 9.023 ( 0.000 0.000 0.000) 0.000 9.047 ( 0.000 0.000 0.000) 0.000 9.128 ( 0.000 0.000 0.000) 0.000 9.272 ( 0.000 0.000 0.000) 0.000 9.301 ( 0.000 0.000 0.000) 0.000 9.490 ( 0.000 0.000 0.000) 0.000 9.942 ( 0.000 0.000 0.000) 0.000 10.063 ( 0.000 0.000 0.000) 0.000 10.117 ( 0.000 0.000 0.000) 0.000 10.128 ( 0.000 0.000 0.000) 0.000 10.134 ( 0.000 0.000 0.000) 0.000 10.150 ( 0.000 0.000 0.000) 0.000 10.273 ( 0.000 0.000 0.000) 0.000 10.328 ( 0.000 0.000 0.000) 0.000 10.460 ( 0.000 0.000 0.000) 0.000 10.588 ( 0.000 0.000 0.000) 0.000 10.648 ( 0.000 0.000 0.000) 0.000 10.828 ( 0.000 0.000 0.000) 0.000 10.912 ( 0.000 0.000 0.000) 0.000 11.066 ( 0.000 0.000 0.000) 0.000 11.080 ( 0.000 0.000 0.000) 0.000 11.309 ( 0.000 0.000 0.000) 0.000 11.311 ( 0.000 0.000 0.000) 0.000 11.374 ( 0.000 0.000 0.000) 0.000 11.430 ( 0.000 0.000 0.000) 0.000 11.494 ( 0.000 0.000 0.000) 0.000 11.561 ( 0.000 0.000 0.000) 0.000 11.648 ( 0.000 0.000 0.000) 0.000 11.869 ( 0.000 0.000 0.000) 0.000 12.241 ( 0.000 0.000 0.000) 0.000 12.313 ( 0.000 0.000 0.000) 0.000 12.349 ( 0.000 0.000 0.000) 0.000 12.614 ( 0.000 0.000 0.000) 0.000 14.759 ( 0.000 0.000 0.000) 0.000 14.850 ( 0.000 0.000 0.000) 0.000 14.850 ( 0.000 0.000 0.000) 0.000 14.906 ( 0.000 0.000 0.000) 0.000 14.974 ( 0.000 0.000 0.000) 0.000 14.983 ( 0.000 0.000 0.000) 0.000 14.993 ( 0.000 0.000 0.000) 0.000 15.120 ( 0.000 0.000 0.000) 0.000 15.123 ( 0.000 0.000 0.000) 0.000 15.289 ( 0.000 0.000 0.000) 0.000 15.335 ( 0.000 0.000 0.000) 0.000 15.370 ( 0.000 0.000 0.000) 0.000 15.397 ( 0.000 0.000 0.000) 0.000 15.426 ( 0.000 0.000 0.000) 0.000 15.443 ( 0.000 0.000 0.000) 0.000 15.655 ( 0.000 0.000 0.000) 0.000 15.797 ( 0.000 0.000 0.000) 0.000 15.882 ( 0.000 0.000 0.000) 0.000 15.922 ( 0.000 0.000 0.000) 0.000 16.018 ( 0.000 0.000 0.000) 0.000 16.093 ( 0.000 0.000 0.000) 0.000 16.152 ( 0.000 0.000 0.000) 0.000 16.258 ( 0.000 0.000 0.000) 0.000 16.272 ( 0.000 0.000 0.000) 0.000 16.396 ( 0.000 0.000 0.000) 0.000 16.452 ( 0.000 0.000 0.000) 0.000 16.511 ( 0.000 0.000 0.000) 0.000 16.521 ( 0.000 0.000 0.000) 0.000 20.648 ( 0.000 0.000 0.000) 0.000 21.338 ( 0.000 0.000 0.000) 0.000 22.017 ( 0.000 0.000 0.000) 0.000 22.138 ( 0.000 0.000 0.000) 0.000 25.267 ( 0.000 0.000 0.000) 0.000 25.411 ( 0.000 0.000 0.000) 0.000 25.415 ( 0.000 0.000 0.000) 0.000 25.441 ( 0.000 0.000 0.000) 0.000 25.449 ( 0.000 0.000 0.000) 0.000 25.475 ( 0.000 0.000 0.000) 0.000 25.491 ( 0.000 0.000 0.000) 0.000 25.523 ( 0.000 0.000 0.000) 0.000 26.365 ( 0.000 0.000 0.000) 0.000 26.402 ( 0.000 0.000 0.000) 0.000 26.449 ( 0.000 0.000 0.000) 0.000 26.536 ( 0.000 0.000 0.000) 0.000 26.586 ( 0.000 0.000 0.000) 0.000 26.596 ( 0.000 0.000 0.000) 0.000 26.699 ( 0.000 0.000 0.000) 0.000 26.799 ( 0.000 0.000 0.000) 0.000 26.906 ( 0.000 0.000 0.000) 0.000 27.151 ( 0.000 0.000 0.000) 0.000 27.208 ( 0.000 0.000 0.000) 0.000 27.393 ( 0.000 0.000 0.000) 0.000 27.399 ( 0.000 0.000 0.000) 0.000 27.425 ( 0.000 0.000 0.000) 0.000 27.446 ( 0.000 0.000 0.000) 0.000 27.604 ( 0.000 0.000 0.000) 0.000 27.794 ( 0.000 0.000 0.000) 0.000 28.561 ( 0.000 0.000 0.000) 0.000 28.806 ( 0.000 0.000 0.000) 0.000 29.068 ( 0.000 0.000 0.000) 0.000 29.454 ( 0.000 0.000 0.000) 0.000 30.531 ( 0.000 0.000 0.000) 0.000 30.804 ( 0.000 0.000 0.000) 0.000 30.977 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 32.042 0.000 16.702) 36.134 0.769 ( 29.804 0.000 16.962) 34.293 1.490 ( 50.841 0.000 33.779) 61.040 1.670 ( -7.700 0.000 -2.918) 8.234 1.803 ( 15.763 0.000 13.641) 20.846 2.078 ( -6.472 0.000 -12.262) 13.865 2.330 ( 1.577 0.000 -1.402) 2.110 2.406 ( -0.938 0.000 9.469) 9.515 2.489 ( 0.035 0.000 -2.285) 2.285 2.617 ( -8.593 0.000 1.967) 8.815 2.710 ( 0.119 0.000 -8.182) 8.183 2.744 ( -18.293 0.000 1.268) 18.337 2.803 ( 8.030 0.000 -13.578) 15.775 2.876 ( -7.181 0.000 2.402) 7.572 2.965 ( -4.295 0.000 -4.499) 6.220 2.996 ( -7.035 0.000 -2.705) 7.537 3.110 ( -5.894 0.000 -9.821) 11.454 3.391 ( -6.568 0.000 0.087) 6.569 3.394 ( 0.687 0.000 -0.227) 0.723 3.516 ( 3.063 0.000 -5.413) 6.220 3.566 ( -2.245 0.000 -3.946) 4.540 3.593 ( 0.861 0.000 1.298) 1.558 3.663 ( -4.051 0.000 1.473) 4.310 3.689 ( 4.476 0.000 -6.724) 8.077 3.728 ( -4.512 0.000 2.902) 5.365 3.812 ( 3.708 0.000 8.066) 8.878 3.846 ( 2.396 0.000 8.319) 8.658 3.911 ( 4.590 0.000 3.878) 6.009 3.982 ( -0.524 0.000 0.568) 0.773 4.045 ( 2.187 0.000 2.104) 3.035 4.085 ( -7.885 0.000 -6.961) 10.518 4.113 ( 8.193 0.000 -0.680) 8.221 4.152 ( -4.154 0.000 0.368) 4.170 4.200 ( 1.269 0.000 -2.573) 2.869 4.250 ( -2.181 0.000 -0.913) 2.365 4.255 ( 1.068 0.000 -0.208) 1.088 4.289 ( -0.411 0.000 -0.247) 0.479 4.325 ( -1.730 0.000 2.933) 3.406 4.390 ( -1.457 0.000 -0.507) 1.543 4.424 ( -1.152 0.000 1.966) 2.279 4.448 ( -6.900 0.000 -2.810) 7.450 4.532 ( 5.905 0.000 3.335) 6.782 4.595 ( -3.596 0.000 -0.096) 3.598 4.636 ( -15.999 0.000 -17.098) 23.416 4.657 ( -2.873 0.000 -0.093) 2.875 4.691 ( 1.821 0.000 -1.113) 2.134 4.773 ( 1.853 0.000 2.077) 2.783 4.829 ( -5.562 0.000 -4.897) 7.411 4.854 ( -4.423 0.000 -0.308) 4.434 4.918 ( 1.341 0.000 -2.910) 3.204 4.929 ( 3.528 0.000 1.367) 3.784 5.007 ( -0.863 0.000 -0.712) 1.119 5.025 ( 0.229 0.000 -2.160) 2.172 5.059 ( -6.299 0.000 -3.953) 7.437 5.094 ( -1.032 0.000 -2.015) 2.264 5.102 ( 2.954 0.000 1.029) 3.128 5.170 ( -3.878 0.000 -5.239) 6.518 5.189 ( 3.508 0.000 6.196) 7.120 5.277 ( 3.101 0.000 -6.389) 7.102 5.284 ( 1.731 0.000 2.917) 3.392 5.351 ( -3.351 0.000 6.556) 7.362 5.395 ( 5.104 0.000 2.943) 5.892 5.483 ( 0.387 0.000 -0.274) 0.474 5.599 ( -6.375 0.000 7.668) 9.972 5.616 ( -4.828 0.000 4.794) 6.803 5.622 ( 2.268 0.000 3.689) 4.331 5.740 ( 0.436 0.000 -6.611) 6.626 5.745 ( 3.026 0.000 -1.715) 3.478 5.824 ( 2.654 0.000 6.312) 6.848 5.879 ( 2.487 0.000 -3.805) 4.545 5.931 ( 0.690 0.000 -6.106) 6.145 6.002 ( -7.978 0.000 3.531) 8.724 6.011 ( -1.117 0.000 0.556) 1.248 6.064 ( 2.866 0.000 0.514) 2.912 6.080 ( -2.048 0.000 6.091) 6.426 6.091 ( 1.354 0.000 3.633) 3.877 6.185 ( -0.366 0.000 0.405) 0.545 6.193 ( 2.055 0.000 0.318) 2.079 6.287 ( 12.509 0.000 2.448) 12.747 6.315 ( -0.230 0.000 -3.299) 3.307 6.397 ( -2.557 0.000 -4.754) 5.398 6.484 ( 5.021 0.000 -1.050) 5.129 6.500 ( 2.331 0.000 -9.345) 9.631 6.516 ( -3.085 0.000 0.797) 3.187 6.543 ( 1.573 0.000 -3.815) 4.127 6.605 ( -3.650 0.000 3.163) 4.830 6.629 ( -3.390 0.000 5.363) 6.345 6.762 ( -0.780 0.000 -2.523) 2.640 6.796 ( 3.447 0.000 2.674) 4.363 6.842 ( 1.621 0.000 0.796) 1.806 6.976 ( 6.486 0.000 3.253) 7.256 7.075 ( 8.121 0.000 3.130) 8.703 7.142 ( 3.024 0.000 2.763) 4.097 7.184 ( 1.047 0.000 2.638) 2.838 7.187 ( -1.101 0.000 0.006) 1.101 7.247 ( 1.362 0.000 0.846) 1.603 7.306 ( -0.196 0.000 2.057) 2.066 7.398 ( 1.240 0.000 -0.227) 1.261 7.449 ( 0.330 0.000 4.069) 4.082 7.557 ( -5.261 0.000 -0.937) 5.343 7.634 ( -2.150 0.000 -0.168) 2.156 7.643 ( 3.466 0.000 -5.322) 6.352 7.678 ( 6.427 0.000 -1.462) 6.591 7.730 ( 1.318 0.000 -1.551) 2.035 7.873 ( -6.325 0.000 4.031) 7.500 8.006 ( 1.361 0.000 -2.459) 2.811 8.044 ( 5.591 0.000 -7.737) 9.546 8.050 ( -1.152 0.000 6.765) 6.863 8.110 ( 1.820 0.000 -0.917) 2.038 8.155 ( -2.913 0.000 -0.074) 2.914 8.291 ( -4.917 0.000 3.984) 6.329 8.456 ( -7.419 0.000 1.098) 7.500 8.576 ( 4.549 0.000 -8.554) 9.689 8.631 ( -10.123 0.000 2.796) 10.502 8.648 ( 4.027 0.000 5.866) 7.116 8.697 ( -4.475 0.000 -6.239) 7.678 8.806 ( 3.227 0.000 -2.121) 3.861 8.914 ( -5.907 0.000 1.130) 6.014 9.035 ( 0.642 0.000 2.361) 2.446 9.120 ( 3.360 0.000 3.720) 5.012 9.126 ( 3.870 0.000 7.736) 8.650 9.164 ( 4.635 0.000 -2.409) 5.223 9.291 ( 1.219 0.000 -1.957) 2.305 9.571 ( 4.391 0.000 1.959) 4.809 9.954 ( -0.081 0.000 2.199) 2.200 9.985 ( -4.014 0.000 -2.326) 4.640 10.071 ( -4.513 0.000 0.445) 4.535 10.095 ( 1.031 0.000 -4.620) 4.733 10.152 ( -0.175 0.000 -1.675) 1.684 10.220 ( -0.140 0.000 -1.075) 1.084 10.228 ( 3.575 0.000 11.014) 11.580 10.331 ( 3.003 0.000 -2.999) 4.244 10.519 ( 0.167 0.000 5.538) 5.541 10.548 ( 5.105 0.000 -16.447) 17.221 10.551 ( -1.796 0.000 -6.668) 6.905 10.662 ( -4.733 0.000 11.733) 12.652 10.880 ( 2.686 0.000 3.926) 4.757 10.998 ( -5.114 0.000 -2.825) 5.842 11.044 ( -1.342 0.000 -3.641) 3.880 11.083 ( -5.047 0.000 -4.186) 6.557 11.370 ( -1.363 0.000 0.950) 1.662 11.416 ( 5.759 0.000 2.278) 6.193 11.458 ( -3.454 0.000 -2.256) 4.126 11.556 ( 2.769 0.000 -2.103) 3.477 11.587 ( 3.469 0.000 1.777) 3.897 11.653 ( -1.615 0.000 2.210) 2.737 11.889 ( 1.321 0.000 4.948) 5.122 12.050 ( 5.088 0.000 -1.489) 5.301 12.315 ( 0.242 0.000 -0.096) 0.260 12.354 ( 0.272 0.000 0.231) 0.357 12.643 ( 1.204 0.000 5.686) 5.812 12.998 ( -7.454 0.000 -2.426) 7.839 14.737 ( 0.396 0.000 -1.104) 1.173 14.781 ( -4.060 0.000 -3.554) 5.396 14.848 ( -7.188 0.000 -2.200) 7.517 14.868 ( 0.336 0.000 -5.904) 5.914 14.910 ( 2.984 0.000 0.438) 3.016 14.998 ( -0.001 0.000 2.226) 2.226 15.005 ( 0.759 0.000 -1.403) 1.595 15.072 ( -2.290 0.000 -0.395) 2.324 15.213 ( 2.967 0.000 2.167) 3.674 15.262 ( -8.304 0.000 3.073) 8.854 15.309 ( -0.367 0.000 -1.110) 1.169 15.358 ( 2.193 0.000 -0.620) 2.279 15.416 ( 2.303 0.000 -0.144) 2.307 15.452 ( 0.971 0.000 -2.543) 2.722 15.479 ( 1.870 0.000 1.031) 2.135 15.616 ( -3.987 0.000 0.418) 4.009 15.753 ( -0.338 0.000 -1.372) 1.413 15.854 ( -2.308 0.000 -1.263) 2.631 15.904 ( -1.140 0.000 0.254) 1.168 15.987 ( -0.606 0.000 -2.702) 2.769 16.186 ( 4.988 0.000 3.588) 6.144 16.267 ( 2.501 0.000 -0.638) 2.581 16.290 ( -0.346 0.000 3.425) 3.442 16.316 ( 4.871 0.000 -0.419) 4.889 16.433 ( 2.952 0.000 0.027) 2.952 16.453 ( -0.048 0.000 0.261) 0.265 16.517 ( -0.335 0.000 1.145) 1.193 16.524 ( -0.188 0.000 0.591) 0.621 21.332 ( -14.265 0.000 27.267) 30.773 21.448 ( 12.640 0.000 -26.417) 29.286 21.972 ( -4.689 0.000 1.436) 4.904 22.107 ( -0.440 0.000 -4.037) 4.061 25.282 ( 1.203 0.000 0.683) 1.384 25.314 ( -3.621 0.000 -2.844) 4.605 25.357 ( -4.694 0.000 -1.630) 4.969 25.367 ( -2.372 0.000 -0.895) 2.535 25.484 ( 1.994 0.000 0.733) 2.124 25.536 ( -0.694 0.000 0.640) 0.944 25.538 ( 3.167 0.000 1.181) 3.380 25.587 ( 2.512 0.000 2.725) 3.706 26.359 ( -0.223 0.000 -0.418) 0.474 26.400 ( 0.480 0.000 -0.107) 0.492 26.541 ( 3.576 0.000 -0.312) 3.590 26.563 ( -1.377 0.000 -0.790) 1.588 26.642 ( 6.799 0.000 3.719) 7.750 26.760 ( 5.739 0.000 -4.852) 7.516 26.772 ( 4.217 0.000 2.467) 4.885 26.884 ( -2.451 0.000 0.181) 2.458 27.146 ( 1.696 0.000 2.102) 2.701 27.234 ( 1.829 0.000 1.414) 2.311 27.372 ( -0.927 0.000 -0.536) 1.071 27.398 ( 0.997 0.000 -0.472) 1.103 27.479 ( 1.816 0.000 1.794) 2.552 27.485 ( 4.119 0.000 1.170) 4.282 27.603 ( -0.565 0.000 -0.198) 0.598 27.744 ( -3.990 0.000 -1.756) 4.359 28.552 ( -2.500 0.000 3.649) 4.423 28.749 ( -2.643 0.000 -4.758) 5.443 28.845 ( 9.123 0.000 -10.638) 14.014 29.116 ( -12.183 0.000 17.175) 21.057 30.473 ( -3.739 0.000 -2.650) 4.583 30.747 ( -3.953 0.000 -2.061) 4.458 30.923 ( 2.139 0.000 -1.642) 2.697 30.970 ( -0.837 0.000 0.178) 0.856 ======================= Grid point 2 (3/50) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 0.000 0.000 0.000) 0.000 1.433 ( -0.000 0.000 -0.000) 0.000 1.463 ( -0.000 0.000 -0.000) 0.000 1.468 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.465 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 -0.000) 0.000 2.533 ( 0.000 0.000 -0.000) 0.000 2.586 ( 0.000 0.000 -0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.822 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.504 ( -0.000 0.000 -0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 -0.000) 0.000 3.639 ( 0.000 0.000 -0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 -0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 4.012 ( 0.000 0.000 0.000) 0.000 4.019 ( -0.000 0.000 -0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.041 ( -0.000 0.000 -0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.163 ( -0.000 0.000 -0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 4.186 ( -0.000 0.000 -0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.284 ( -0.000 0.000 0.000) 0.000 4.323 ( -0.000 0.000 0.000) 0.000 4.353 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 -0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 4.611 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 -0.000) 0.000 4.669 ( 0.000 0.000 -0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.794 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.013 ( -0.000 0.000 -0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.064 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.152 ( -0.000 0.000 0.000) 0.000 5.228 ( 0.000 0.000 0.000) 0.000 5.267 ( 0.000 0.000 -0.000) 0.000 5.313 ( 0.000 0.000 0.000) 0.000 5.395 ( 0.000 0.000 0.000) 0.000 5.459 ( -0.000 0.000 -0.000) 0.000 5.561 ( 0.000 0.000 0.000) 0.000 5.568 ( -0.000 0.000 -0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.698 ( 0.000 0.000 -0.000) 0.000 5.734 ( 0.000 0.000 0.000) 0.000 5.797 ( -0.000 0.000 0.000) 0.000 5.798 ( 0.000 0.000 -0.000) 0.000 5.854 ( 0.000 0.000 -0.000) 0.000 5.890 ( 0.000 0.000 0.000) 0.000 5.955 ( -0.000 0.000 0.000) 0.000 5.992 ( 0.000 0.000 0.000) 0.000 6.075 ( 0.000 0.000 0.000) 0.000 6.117 ( 0.000 0.000 0.000) 0.000 6.147 ( 0.000 0.000 0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 6.223 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 -0.000) 0.000 6.321 ( 0.000 0.000 0.000) 0.000 6.386 ( 0.000 0.000 -0.000) 0.000 6.442 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.515 ( 0.000 0.000 0.000) 0.000 6.523 ( 0.000 0.000 0.000) 0.000 6.644 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 6.839 ( 0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 -0.000) 0.000 7.081 ( 0.000 0.000 0.000) 0.000 7.135 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.259 ( 0.000 0.000 0.000) 0.000 7.260 ( 0.000 0.000 0.000) 0.000 7.401 ( 0.000 0.000 0.000) 0.000 7.406 ( -0.000 0.000 -0.000) 0.000 7.413 ( 0.000 0.000 0.000) 0.000 7.440 ( 0.000 0.000 0.000) 0.000 7.612 ( 0.000 0.000 0.000) 0.000 7.653 ( 0.000 0.000 0.000) 0.000 7.741 ( 0.000 0.000 0.000) 0.000 7.760 ( 0.000 0.000 0.000) 0.000 7.835 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 8.080 ( 0.000 0.000 0.000) 0.000 8.092 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 -0.000) 0.000 8.142 ( 0.000 0.000 -0.000) 0.000 8.267 ( 0.000 0.000 -0.000) 0.000 8.377 ( 0.000 0.000 -0.000) 0.000 8.474 ( 0.000 0.000 0.000) 0.000 8.603 ( 0.000 0.000 -0.000) 0.000 8.624 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 8.830 ( 0.000 0.000 -0.000) 0.000 8.869 ( -0.000 0.000 0.000) 0.000 9.058 ( 0.000 0.000 -0.000) 0.000 9.183 ( 0.000 0.000 0.000) 0.000 9.200 ( 0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 0.000) 0.000 9.296 ( 0.000 0.000 0.000) 0.000 9.621 ( 0.000 0.000 0.000) 0.000 9.932 ( 0.000 0.000 0.000) 0.000 9.986 ( 0.000 0.000 0.000) 0.000 9.990 ( -0.000 0.000 -0.000) 0.000 10.091 ( 0.000 0.000 0.000) 0.000 10.122 ( 0.000 0.000 0.000) 0.000 10.211 ( 0.000 0.000 0.000) 0.000 10.349 ( -0.000 0.000 0.000) 0.000 10.387 ( 0.000 0.000 -0.000) 0.000 10.465 ( 0.000 0.000 0.000) 0.000 10.500 ( -0.000 0.000 0.000) 0.000 10.529 ( 0.000 0.000 -0.000) 0.000 10.694 ( 0.000 0.000 -0.000) 0.000 10.953 ( 0.000 0.000 -0.000) 0.000 10.972 ( 0.000 0.000 0.000) 0.000 10.972 ( -0.000 0.000 -0.000) 0.000 11.002 ( 0.000 0.000 0.000) 0.000 11.361 ( 0.000 0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.541 ( 0.000 0.000 0.000) 0.000 11.551 ( -0.000 0.000 -0.000) 0.000 11.592 ( 0.000 0.000 0.000) 0.000 11.636 ( 0.000 0.000 0.000) 0.000 11.952 ( 0.000 0.000 0.000) 0.000 12.098 ( 0.000 0.000 0.000) 0.000 12.317 ( 0.000 0.000 0.000) 0.000 12.358 ( 0.000 0.000 0.000) 0.000 12.755 ( 0.000 0.000 0.000) 0.000 12.834 ( -0.000 0.000 0.000) 0.000 14.712 ( 0.000 0.000 0.000) 0.000 14.759 ( 0.000 0.000 0.000) 0.000 14.761 ( 0.000 0.000 0.000) 0.000 14.816 ( 0.000 0.000 0.000) 0.000 14.951 ( 0.000 0.000 0.000) 0.000 15.005 ( -0.000 0.000 0.000) 0.000 15.012 ( 0.000 0.000 0.000) 0.000 15.039 ( 0.000 0.000 0.000) 0.000 15.187 ( 0.000 0.000 0.000) 0.000 15.250 ( 0.000 0.000 0.000) 0.000 15.300 ( 0.000 0.000 0.000) 0.000 15.390 ( 0.000 0.000 0.000) 0.000 15.426 ( 0.000 0.000 -0.000) 0.000 15.448 ( 0.000 0.000 0.000) 0.000 15.505 ( 0.000 0.000 0.000) 0.000 15.564 ( -0.000 0.000 0.000) 0.000 15.785 ( 0.000 0.000 0.000) 0.000 15.790 ( -0.000 0.000 -0.000) 0.000 15.897 ( 0.000 0.000 0.000) 0.000 15.968 ( 0.000 0.000 0.000) 0.000 16.272 ( 0.000 0.000 0.000) 0.000 16.278 ( -0.000 0.000 -0.000) 0.000 16.308 ( 0.000 0.000 0.000) 0.000 16.368 ( 0.000 0.000 -0.000) 0.000 16.454 ( 0.000 0.000 0.000) 0.000 16.467 ( 0.000 0.000 0.000) 0.000 16.516 ( 0.000 0.000 0.000) 0.000 16.524 ( 0.000 0.000 0.000) 0.000 21.349 ( 0.000 0.000 0.000) 0.000 21.419 ( 0.000 0.000 -0.000) 0.000 21.928 ( 0.000 0.000 0.000) 0.000 22.076 ( 0.000 0.000 -0.000) 0.000 25.264 ( 0.000 0.000 0.000) 0.000 25.304 ( 0.000 0.000 0.000) 0.000 25.316 ( -0.000 0.000 -0.000) 0.000 25.322 ( 0.000 0.000 0.000) 0.000 25.509 ( 0.000 0.000 -0.000) 0.000 25.531 ( 0.000 0.000 0.000) 0.000 25.572 ( 0.000 0.000 0.000) 0.000 25.624 ( 0.000 0.000 0.000) 0.000 26.354 ( 0.000 0.000 0.000) 0.000 26.406 ( 0.000 0.000 0.000) 0.000 26.543 ( 0.000 0.000 0.000) 0.000 26.558 ( 0.000 0.000 0.000) 0.000 26.791 ( 0.000 0.000 0.000) 0.000 26.812 ( 0.000 0.000 0.000) 0.000 26.820 ( -0.000 0.000 0.000) 0.000 26.832 ( 0.000 0.000 0.000) 0.000 27.178 ( 0.000 0.000 0.000) 0.000 27.270 ( 0.000 0.000 0.000) 0.000 27.361 ( 0.000 0.000 0.000) 0.000 27.410 ( 0.000 0.000 0.000) 0.000 27.512 ( 0.000 0.000 -0.000) 0.000 27.556 ( 0.000 0.000 0.000) 0.000 27.586 ( 0.000 0.000 0.000) 0.000 27.667 ( 0.000 0.000 0.000) 0.000 28.554 ( 0.000 0.000 0.000) 0.000 28.681 ( 0.000 0.000 0.000) 0.000 28.886 ( 0.000 0.000 0.000) 0.000 29.082 ( 0.000 0.000 0.000) 0.000 30.411 ( 0.000 0.000 -0.000) 0.000 30.687 ( 0.000 0.000 0.000) 0.000 30.944 ( -0.000 0.000 0.000) 0.000 30.955 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/50) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 0.000 36.671 0.000) 36.671 0.885 ( 0.000 42.946 0.000) 42.946 1.343 ( 0.000 59.656 0.000) 59.656 1.441 ( 0.000 2.155 0.000) 2.155 2.150 ( 0.000 6.038 0.000) 6.038 2.251 ( 0.000 -10.374 0.000) 10.374 2.266 ( 0.000 17.141 0.000) 17.141 2.534 ( 0.000 10.276 0.000) 10.276 2.582 ( 0.000 -6.182 0.000) 6.182 2.674 ( 0.000 0.226 0.000) 0.226 2.768 ( 0.000 9.867 0.000) 9.867 2.919 ( 0.000 14.391 0.000) 14.391 2.943 ( 0.000 11.505 0.000) 11.505 3.066 ( 0.000 1.876 0.000) 1.876 3.106 ( 0.000 4.541 0.000) 4.541 3.196 ( 0.000 12.369 0.000) 12.369 3.357 ( 0.000 0.131 0.000) 0.131 3.408 ( 0.000 1.316 0.000) 1.316 3.524 ( 0.000 -4.195 0.000) 4.195 3.545 ( 0.000 5.725 0.000) 5.725 3.554 ( 0.000 -1.809 0.000) 1.809 3.667 ( 0.000 -3.573 0.000) 3.573 3.675 ( 0.000 3.132 0.000) 3.132 3.746 ( 0.000 7.523 0.000) 7.523 3.756 ( 0.000 6.988 0.000) 6.988 3.800 ( 0.000 -0.942 0.000) 0.942 3.835 ( 0.000 3.822 0.000) 3.822 3.907 ( 0.000 -0.358 0.000) 0.358 3.916 ( 0.000 1.665 0.000) 1.665 4.030 ( 0.000 0.940 0.000) 0.940 4.074 ( 0.000 -1.970 0.000) 1.970 4.077 ( 0.000 -7.119 0.000) 7.119 4.135 ( 0.000 -0.758 0.000) 0.758 4.190 ( 0.000 -5.178 0.000) 5.178 4.249 ( 0.000 -3.578 0.000) 3.578 4.272 ( 0.000 3.754 0.000) 3.754 4.277 ( 0.000 -0.106 0.000) 0.106 4.374 ( 0.000 1.630 0.000) 1.630 4.394 ( 0.000 5.378 0.000) 5.378 4.472 ( 0.000 3.629 0.000) 3.629 4.498 ( 0.000 2.307 0.000) 2.307 4.555 ( 0.000 -8.153 0.000) 8.153 4.580 ( 0.000 -3.532 0.000) 3.532 4.655 ( 0.000 -4.721 0.000) 4.721 4.705 ( 0.000 -1.931 0.000) 1.931 4.727 ( 0.000 3.547 0.000) 3.547 4.735 ( 0.000 -0.496 0.000) 0.496 4.773 ( 0.000 -7.450 0.000) 7.450 4.897 ( 0.000 -6.967 0.000) 6.967 4.927 ( 0.000 2.539 0.000) 2.539 4.935 ( 0.000 -2.543 0.000) 2.543 4.978 ( 0.000 1.781 0.000) 1.781 4.996 ( 0.000 3.519 0.000) 3.519 5.069 ( 0.000 3.253 0.000) 3.253 5.096 ( 0.000 -3.842 0.000) 3.842 5.170 ( 0.000 -4.110 0.000) 4.110 5.199 ( 0.000 1.014 0.000) 1.014 5.230 ( 0.000 1.845 0.000) 1.845 5.288 ( 0.000 3.409 0.000) 3.409 5.360 ( 0.000 8.478 0.000) 8.478 5.415 ( 0.000 2.794 0.000) 2.794 5.448 ( 0.000 4.822 0.000) 4.822 5.542 ( 0.000 0.453 0.000) 0.453 5.600 ( 0.000 7.379 0.000) 7.379 5.648 ( 0.000 2.428 0.000) 2.428 5.693 ( 0.000 0.847 0.000) 0.847 5.696 ( 0.000 1.905 0.000) 1.905 5.777 ( 0.000 -2.946 0.000) 2.946 5.784 ( 0.000 4.690 0.000) 4.690 5.824 ( 0.000 1.953 0.000) 1.953 5.839 ( 0.000 -4.151 0.000) 4.151 5.995 ( 0.000 -4.328 0.000) 4.328 5.998 ( 0.000 3.018 0.000) 3.018 6.073 ( 0.000 -5.509 0.000) 5.509 6.087 ( 0.000 5.795 0.000) 5.795 6.142 ( 0.000 7.222 0.000) 7.222 6.196 ( 0.000 7.003 0.000) 7.003 6.200 ( 0.000 0.384 0.000) 0.384 6.268 ( 0.000 8.387 0.000) 8.387 6.334 ( 0.000 1.710 0.000) 1.710 6.397 ( 0.000 -5.397 0.000) 5.397 6.432 ( 0.000 3.047 0.000) 3.047 6.457 ( 0.000 -0.653 0.000) 0.653 6.568 ( 0.000 -2.527 0.000) 2.527 6.683 ( 0.000 6.727 0.000) 6.727 6.721 ( 0.000 2.921 0.000) 2.921 6.727 ( 0.000 -0.213 0.000) 0.213 6.761 ( 0.000 -1.991 0.000) 1.991 6.811 ( 0.000 2.304 0.000) 2.304 6.832 ( 0.000 3.671 0.000) 3.671 6.891 ( 0.000 0.371 0.000) 0.371 7.036 ( 0.000 2.015 0.000) 2.015 7.111 ( 0.000 1.097 0.000) 1.097 7.188 ( 0.000 -13.949 0.000) 13.949 7.206 ( 0.000 2.729 0.000) 2.729 7.246 ( 0.000 0.064 0.000) 0.064 7.381 ( 0.000 3.973 0.000) 3.973 7.405 ( 0.000 4.393 0.000) 4.393 7.530 ( 0.000 -1.206 0.000) 1.206 7.639 ( 0.000 -7.888 0.000) 7.888 7.662 ( 0.000 2.868 0.000) 2.868 7.693 ( 0.000 1.805 0.000) 1.805 7.710 ( 0.000 1.532 0.000) 1.532 7.892 ( 0.000 2.659 0.000) 2.659 7.922 ( 0.000 -1.086 0.000) 1.086 7.977 ( 0.000 3.086 0.000) 3.086 8.052 ( 0.000 -11.572 0.000) 11.572 8.137 ( 0.000 -20.827 0.000) 20.827 8.150 ( 0.000 9.473 0.000) 9.473 8.271 ( 0.000 7.379 0.000) 7.379 8.337 ( 0.000 15.905 0.000) 15.905 8.427 ( 0.000 -8.508 0.000) 8.508 8.623 ( 0.000 -14.025 0.000) 14.025 8.655 ( 0.000 7.293 0.000) 7.293 8.694 ( 0.000 -5.861 0.000) 5.861 8.822 ( 0.000 4.088 0.000) 4.088 8.889 ( 0.000 9.780 0.000) 9.780 9.037 ( 0.000 1.803 0.000) 1.803 9.041 ( 0.000 1.942 0.000) 1.942 9.094 ( 0.000 7.872 0.000) 7.872 9.136 ( 0.000 1.146 0.000) 1.146 9.185 ( 0.000 2.787 0.000) 2.787 9.432 ( 0.000 -4.782 0.000) 4.782 9.559 ( 0.000 12.426 0.000) 12.426 9.632 ( 0.000 2.039 0.000) 2.039 9.872 ( 0.000 -4.436 0.000) 4.436 9.943 ( 0.000 -13.296 0.000) 13.296 10.035 ( 0.000 -4.201 0.000) 4.201 10.067 ( 0.000 -3.694 0.000) 3.694 10.075 ( 0.000 -5.867 0.000) 5.867 10.220 ( 0.000 3.296 0.000) 3.296 10.321 ( 0.000 -11.896 0.000) 11.896 10.337 ( 0.000 5.033 0.000) 5.033 10.385 ( 0.000 -6.412 0.000) 6.412 10.710 ( 0.000 -10.678 0.000) 10.678 10.759 ( 0.000 7.597 0.000) 7.597 10.820 ( 0.000 -2.022 0.000) 2.022 10.852 ( 0.000 -1.248 0.000) 1.248 11.082 ( 0.000 0.448 0.000) 0.448 11.203 ( 0.000 1.844 0.000) 1.844 11.319 ( 0.000 2.801 0.000) 2.801 11.362 ( 0.000 -0.757 0.000) 0.757 11.398 ( 0.000 -4.361 0.000) 4.361 11.424 ( 0.000 -6.550 0.000) 6.550 11.439 ( 0.000 -3.428 0.000) 3.428 11.485 ( 0.000 -7.197 0.000) 7.197 11.510 ( 0.000 -8.203 0.000) 8.203 11.948 ( 0.000 1.979 0.000) 1.979 12.127 ( 0.000 -8.160 0.000) 8.160 12.289 ( 0.000 -5.046 0.000) 5.046 12.331 ( 0.000 -1.529 0.000) 1.529 12.672 ( 0.000 4.540 0.000) 4.540 14.748 ( 0.000 -0.561 0.000) 0.561 14.819 ( 0.000 -3.054 0.000) 3.054 14.837 ( 0.000 -7.589 0.000) 7.589 14.889 ( 0.000 1.939 0.000) 1.939 14.923 ( 0.000 -3.845 0.000) 3.845 14.949 ( 0.000 -2.089 0.000) 2.089 14.964 ( 0.000 -2.718 0.000) 2.718 15.146 ( 0.000 2.217 0.000) 2.217 15.168 ( 0.000 4.008 0.000) 4.008 15.279 ( 0.000 -1.688 0.000) 1.688 15.308 ( 0.000 -0.649 0.000) 0.649 15.353 ( 0.000 2.660 0.000) 2.660 15.470 ( 0.000 2.133 0.000) 2.133 15.503 ( 0.000 3.145 0.000) 3.145 15.536 ( 0.000 6.964 0.000) 6.964 15.632 ( 0.000 -1.400 0.000) 1.400 15.845 ( 0.000 2.897 0.000) 2.897 15.884 ( 0.000 0.020 0.000) 0.020 16.008 ( 0.000 4.830 0.000) 4.830 16.128 ( 0.000 7.040 0.000) 7.040 16.144 ( 0.000 -0.747 0.000) 0.747 16.153 ( 0.000 4.982 0.000) 4.982 16.250 ( 0.000 -0.947 0.000) 0.947 16.266 ( 0.000 -0.507 0.000) 0.507 16.675 ( 0.000 23.477 0.000) 23.477 16.777 ( 0.000 25.590 0.000) 25.590 16.797 ( 0.000 27.962 0.000) 27.962 19.421 ( 0.000 0.680 0.000) 0.680 20.600 ( 0.000 -4.644 0.000) 4.644 21.170 ( 0.000 -15.361 0.000) 15.361 21.766 ( 0.000 -22.908 0.000) 22.908 21.885 ( 0.000 -23.067 0.000) 23.067 25.315 ( 0.000 4.455 0.000) 4.455 25.358 ( 0.000 -1.109 0.000) 1.109 25.446 ( 0.000 2.934 0.000) 2.934 25.497 ( 0.000 5.235 0.000) 5.235 25.509 ( 0.000 5.197 0.000) 5.197 25.559 ( 0.000 5.738 0.000) 5.738 25.690 ( 0.000 10.550 0.000) 10.550 26.185 ( 0.000 0.865 0.000) 0.865 26.359 ( 0.000 -0.505 0.000) 0.505 26.399 ( 0.000 -0.439 0.000) 0.439 26.453 ( 0.000 0.161 0.000) 0.161 26.545 ( 0.000 0.941 0.000) 0.941 26.585 ( 0.000 -0.009 0.000) 0.009 26.597 ( 0.000 0.104 0.000) 0.104 26.795 ( 0.000 -0.407 0.000) 0.407 26.865 ( 0.000 -0.437 0.000) 0.437 26.918 ( 0.000 1.121 0.000) 1.121 27.106 ( 0.000 -4.729 0.000) 4.729 27.218 ( 0.000 -10.117 0.000) 10.117 27.293 ( 0.000 -1.872 0.000) 1.872 27.404 ( 0.000 0.171 0.000) 0.171 27.523 ( 0.000 -1.456 0.000) 1.456 27.560 ( 0.000 -2.801 0.000) 2.801 27.757 ( 0.000 -3.603 0.000) 3.603 28.705 ( 0.000 12.729 0.000) 12.729 28.940 ( 0.000 11.588 0.000) 11.588 29.197 ( 0.000 11.395 0.000) 11.395 29.439 ( 0.000 -1.527 0.000) 1.527 29.507 ( 0.000 4.987 0.000) 4.987 30.399 ( 0.000 -12.757 0.000) 12.757 30.747 ( 0.000 -12.564 0.000) 12.564 30.851 ( 0.000 -11.583 0.000) 11.583 ======================= Grid point 6 (5/50) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 18.241 29.001 6.927) 34.954 1.221 ( 21.676 25.329 11.596) 35.297 1.620 ( 10.997 3.925 11.575) 16.441 1.838 ( 33.607 31.065 21.146) 50.415 2.075 ( -8.874 -0.310 -8.163) 12.062 2.190 ( -1.084 17.840 -2.808) 18.093 2.289 ( 4.170 -3.487 5.522) 7.748 2.544 ( -0.603 5.847 -7.109) 9.224 2.592 ( -4.118 0.359 3.975) 5.735 2.660 ( -1.516 10.182 5.031) 11.458 2.737 ( 4.159 5.202 -12.884) 14.503 2.786 ( -12.634 7.116 6.665) 15.958 2.816 ( -6.436 10.592 -2.833) 12.714 2.964 ( -4.803 3.322 -10.448) 11.969 3.051 ( -8.696 3.381 -5.157) 10.660 3.093 ( -6.611 4.113 -3.918) 8.717 3.170 ( -4.299 13.668 -2.753) 14.590 3.374 ( -5.254 -0.851 -2.620) 5.932 3.475 ( -3.129 3.981 -0.653) 5.105 3.490 ( -1.061 -4.257 -1.484) 4.631 3.602 ( 0.952 2.785 -2.698) 3.992 3.627 ( -1.229 6.316 -1.208) 6.547 3.686 ( 1.039 -1.879 0.886) 2.323 3.723 ( -2.748 1.951 4.312) 5.473 3.747 ( 3.228 5.564 -5.765) 8.637 3.790 ( -0.876 0.354 1.723) 1.965 3.909 ( 1.114 3.295 4.037) 5.329 3.937 ( -0.097 -6.419 -0.753) 6.464 3.970 ( 4.061 1.136 3.271) 5.337 3.995 ( 1.043 -0.987 0.394) 1.489 4.087 ( -0.124 -0.816 -2.940) 3.053 4.123 ( 0.678 0.882 2.880) 3.087 4.151 ( 2.718 0.195 1.842) 3.289 4.205 ( 0.278 1.477 -1.200) 1.923 4.245 ( -1.369 -1.450 1.403) 2.438 4.273 ( 2.968 -2.890 1.383) 4.367 4.285 ( -1.808 0.295 -2.552) 3.142 4.360 ( 1.505 4.938 -1.744) 5.449 4.394 ( -2.087 -1.952 -0.135) 2.860 4.431 ( -2.360 3.535 0.102) 4.252 4.495 ( -3.537 -2.455 -1.953) 4.728 4.540 ( -7.902 -4.989 -5.339) 10.763 4.569 ( -1.273 1.694 2.944) 3.628 4.576 ( -0.516 0.114 4.595) 4.625 4.604 ( -6.328 -0.472 -3.709) 7.350 4.719 ( 0.280 -3.391 1.498) 3.718 4.734 ( -0.602 -0.328 -1.293) 1.464 4.796 ( -3.171 0.958 -4.588) 5.659 4.840 ( -3.558 -2.243 -2.515) 4.901 4.888 ( 1.062 2.448 -1.811) 3.225 4.913 ( -3.896 -1.039 -1.239) 4.219 4.979 ( 6.898 -0.822 -1.604) 7.129 5.058 ( 2.223 -0.262 0.810) 2.381 5.075 ( -2.260 1.299 2.337) 3.501 5.122 ( -2.706 1.851 -1.203) 3.493 5.151 ( 4.621 0.048 3.720) 5.933 5.176 ( -6.897 3.337 -3.624) 8.475 5.230 ( 1.249 4.834 -4.964) 7.040 5.274 ( 3.645 0.807 -2.384) 4.429 5.344 ( 5.160 3.928 0.075) 6.485 5.380 ( 1.472 4.661 3.397) 5.952 5.474 ( 0.132 4.279 0.089) 4.282 5.564 ( -1.615 1.493 -1.466) 2.643 5.589 ( -8.353 3.547 5.692) 10.712 5.621 ( -0.047 3.477 3.032) 4.614 5.673 ( 2.959 2.284 -0.016) 3.738 5.723 ( 0.043 4.760 0.694) 4.811 5.776 ( 1.281 -5.137 -1.185) 5.425 5.802 ( 2.694 1.705 1.701) 3.613 5.853 ( -4.730 2.705 -2.016) 5.809 5.932 ( 3.771 -3.158 0.309) 4.928 5.957 ( 1.539 0.910 0.295) 1.812 6.022 ( -1.513 -2.889 3.730) 4.955 6.075 ( -0.190 2.051 4.917) 5.331 6.085 ( -2.549 4.269 1.153) 5.104 6.162 ( 2.100 3.427 -3.126) 5.092 6.204 ( 6.534 2.485 4.604) 8.371 6.220 ( 4.585 3.917 -2.321) 6.462 6.282 ( -3.904 -3.994 -4.664) 7.276 6.292 ( 2.295 2.797 5.025) 6.192 6.445 ( 0.232 -0.977 2.069) 2.300 6.470 ( -3.345 0.136 -5.899) 6.783 6.475 ( 1.163 -0.125 -2.394) 2.665 6.541 ( -1.564 4.429 0.538) 4.728 6.591 ( 0.638 4.644 -3.881) 6.086 6.612 ( -0.622 1.286 -5.473) 5.657 6.693 ( 1.448 2.686 4.503) 5.440 6.790 ( 1.841 -0.062 2.489) 3.096 6.852 ( 2.005 3.015 2.084) 4.178 6.912 ( 2.323 -2.445 5.344) 6.320 7.008 ( -1.571 2.018 -1.122) 2.792 7.081 ( 2.593 -2.807 2.699) 4.678 7.136 ( 2.057 2.574 0.875) 3.409 7.194 ( -3.017 0.022 1.314) 3.290 7.241 ( 0.623 3.196 0.252) 3.266 7.262 ( 6.484 -4.251 3.765) 8.619 7.403 ( 4.931 5.289 -2.456) 7.637 7.439 ( 2.262 1.850 2.960) 4.159 7.539 ( -9.111 4.784 -4.423) 11.201 7.575 ( -4.191 -3.842 -0.879) 5.754 7.621 ( 1.011 2.256 -0.586) 2.541 7.665 ( 3.796 0.385 -3.582) 5.233 7.690 ( -1.860 5.625 0.865) 5.987 7.780 ( 3.302 2.444 -2.668) 4.899 7.890 ( -4.780 1.473 1.607) 5.253 7.971 ( 0.133 -6.381 -8.268) 10.444 8.019 ( 2.733 -2.136 0.025) 3.469 8.045 ( -4.912 -2.405 0.758) 5.522 8.167 ( -4.164 -1.456 2.841) 5.247 8.192 ( -3.733 -0.778 4.406) 5.827 8.341 ( -1.737 9.332 0.009) 9.493 8.416 ( -3.366 6.569 1.450) 7.523 8.491 ( -2.151 -1.258 -3.253) 4.097 8.620 ( -2.083 3.109 -5.416) 6.583 8.685 ( -2.853 -0.632 -1.731) 3.396 8.755 ( -1.156 5.886 -4.574) 7.544 8.822 ( -3.243 1.821 -2.488) 4.475 8.982 ( -6.166 5.628 2.237) 8.643 9.065 ( 3.380 -2.105 6.249) 7.410 9.071 ( 0.285 1.418 1.617) 2.170 9.154 ( 5.869 -0.114 -0.842) 5.930 9.199 ( 4.281 7.840 2.319) 9.229 9.413 ( -0.024 8.751 1.956) 8.967 9.550 ( 5.082 -2.394 1.423) 5.795 9.831 ( -4.882 -8.281 0.179) 9.615 9.893 ( -1.365 -13.171 -2.575) 13.490 9.963 ( -1.028 -2.690 0.823) 2.995 10.005 ( 1.967 -7.221 -4.547) 8.757 10.076 ( -1.677 -7.200 -1.834) 7.617 10.144 ( -2.424 -7.819 8.915) 12.104 10.312 ( 6.397 -5.734 -3.825) 9.404 10.324 ( -0.646 5.497 2.206) 5.958 10.370 ( 10.174 -6.493 -7.290) 14.100 10.440 ( 2.434 -4.384 3.350) 6.030 10.678 ( -1.735 5.333 -2.912) 6.319 10.758 ( -2.460 4.865 6.453) 8.448 10.866 ( 2.730 -1.008 2.274) 3.693 10.993 ( -1.670 -0.886 6.512) 6.781 11.100 ( -3.793 1.977 -2.593) 5.002 11.133 ( -2.076 2.044 -2.824) 4.057 11.220 ( 2.325 -8.748 -3.222) 9.608 11.333 ( -1.306 -11.376 -5.690) 12.786 11.419 ( -1.282 -10.350 3.934) 11.147 11.435 ( -2.970 -7.123 0.118) 7.718 11.486 ( 3.702 -0.530 3.482) 5.110 11.560 ( 8.974 -3.774 -0.830) 9.771 11.769 ( 9.833 -15.894 6.145) 19.674 11.938 ( 0.884 -1.714 -1.665) 2.548 12.261 ( 3.320 -7.472 1.986) 8.414 12.335 ( 1.127 -3.113 3.184) 4.594 12.418 ( 11.626 -15.345 8.191) 20.922 12.681 ( 1.324 1.195 0.016) 1.783 14.675 ( -5.361 -2.653 -3.779) 7.075 14.751 ( -3.615 -4.042 -3.362) 6.380 14.794 ( -4.339 -1.863 1.053) 4.838 14.846 ( 0.083 -1.261 -2.746) 3.023 14.906 ( 0.066 0.464 -3.186) 3.220 14.960 ( -1.454 -2.750 2.557) 4.027 14.962 ( 0.425 -2.136 -2.216) 3.107 15.054 ( -3.885 2.133 -2.264) 4.977 15.209 ( 1.341 -0.281 2.081) 2.492 15.264 ( -3.343 0.367 3.469) 4.831 15.351 ( 3.104 0.450 0.501) 3.177 15.402 ( 1.310 4.557 -0.598) 4.779 15.438 ( -0.432 0.037 -1.315) 1.385 15.485 ( 1.719 4.923 -1.607) 5.457 15.563 ( 1.100 5.434 -0.461) 5.563 15.619 ( -3.323 -0.306 3.879) 5.117 15.786 ( -0.977 2.172 -3.573) 4.294 15.843 ( -2.835 -0.756 -2.474) 3.838 16.016 ( -2.146 4.886 3.097) 6.170 16.074 ( -0.975 5.592 -4.119) 7.013 16.166 ( 3.243 -0.858 -0.983) 3.496 16.181 ( -0.088 1.085 2.864) 3.064 16.311 ( 4.320 0.498 0.919) 4.445 16.330 ( 1.858 1.342 4.252) 4.830 16.717 ( 1.683 24.655 2.060) 24.798 16.807 ( 1.776 26.194 -0.974) 26.272 16.835 ( 5.434 31.754 3.993) 32.462 17.931 ( -55.049 68.016 -32.950) 93.500 21.067 ( 0.246 -22.835 20.229) 30.508 21.187 ( 9.484 -16.754 -13.376) 23.442 21.728 ( -3.809 -22.389 0.734) 22.722 21.860 ( -0.564 -22.647 -2.967) 22.847 25.304 ( -0.331 3.093 -1.697) 3.543 25.321 ( -3.041 0.863 -0.430) 3.190 25.382 ( -1.253 4.208 -1.977) 4.815 25.489 ( -0.730 4.685 -0.022) 4.742 25.575 ( 1.160 4.157 1.159) 4.469 25.594 ( -0.424 7.923 4.206) 8.980 25.608 ( -2.627 9.961 -2.378) 10.572 25.858 ( -6.100 16.315 -4.027) 17.878 26.354 ( -0.108 -0.482 -0.369) 0.617 26.399 ( 0.696 -0.203 -0.166) 0.743 26.551 ( 3.692 0.743 0.165) 3.769 26.566 ( -0.782 0.393 -0.971) 1.308 26.633 ( 6.536 -0.800 2.715) 7.122 26.719 ( 7.702 -3.108 0.171) 8.307 26.789 ( 2.265 0.932 0.059) 2.450 26.894 ( -2.525 0.926 -0.133) 2.693 27.052 ( 2.563 -6.447 3.404) 7.728 27.165 ( 3.613 -5.518 2.967) 7.233 27.225 ( 1.087 -10.598 0.353) 10.659 27.354 ( 2.895 -3.700 4.232) 6.322 27.404 ( 1.147 -1.795 -3.443) 4.049 27.538 ( 0.241 -0.570 -0.711) 0.943 27.556 ( -0.068 -4.028 0.992) 4.149 27.739 ( -2.235 -2.074 -0.843) 3.164 28.695 ( -1.713 12.862 2.426) 13.200 28.896 ( -2.990 12.794 -2.237) 13.328 29.031 ( 2.423 13.610 -10.318) 17.250 29.259 ( -9.880 11.843 12.102) 19.605 30.260 ( 15.869 -24.961 5.850) 30.151 30.375 ( 4.990 -16.930 0.358) 17.654 30.700 ( -2.784 -13.336 -0.934) 13.656 30.827 ( -2.319 -12.972 -0.830) 13.204 ======================= Grid point 7 (6/50) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -0.000 12.118 0.000) 12.118 1.528 ( 0.000 14.157 0.000) 14.157 1.808 ( 0.000 20.586 0.000) 20.586 1.860 ( 0.000 22.130 0.000) 22.130 2.081 ( 0.000 -1.599 0.000) 1.599 2.320 ( 0.000 3.533 0.000) 3.533 2.467 ( 0.000 1.499 0.000) 1.499 2.486 ( 0.000 7.859 -0.000) 7.859 2.630 ( -0.000 9.700 -0.000) 9.700 2.636 ( 0.000 -0.231 0.000) 0.231 2.675 ( 0.000 3.338 0.000) 3.338 2.757 ( 0.000 16.728 -0.000) 16.728 2.767 ( 0.000 -1.269 0.000) 1.269 2.803 ( -0.000 5.654 -0.000) 5.654 2.906 ( 0.000 -5.977 0.000) 5.977 3.072 ( 0.000 11.733 0.000) 11.733 3.095 ( -0.000 6.244 -0.000) 6.244 3.212 ( 0.000 0.898 0.000) 0.898 3.450 ( 0.000 -7.953 0.000) 7.953 3.538 ( 0.000 7.002 0.000) 7.002 3.561 ( 0.000 2.388 0.000) 2.388 3.605 ( 0.000 4.857 0.000) 4.857 3.696 ( 0.000 5.001 0.000) 5.001 3.697 ( 0.000 13.056 0.000) 13.056 3.732 ( 0.000 1.068 0.000) 1.068 3.760 ( 0.000 3.375 0.000) 3.375 3.924 ( 0.000 -2.106 0.000) 2.106 3.948 ( 0.000 -2.634 0.000) 2.634 4.012 ( 0.000 -5.729 0.000) 5.729 4.056 ( 0.000 -0.241 -0.000) 0.241 4.101 ( 0.000 3.391 0.000) 3.391 4.156 ( 0.000 -1.216 0.000) 1.216 4.177 ( 0.000 3.218 -0.000) 3.218 4.216 ( -0.000 1.524 -0.000) 1.524 4.221 ( 0.000 4.892 0.000) 4.892 4.258 ( 0.000 -1.939 0.000) 1.939 4.284 ( -0.000 0.827 0.000) 0.827 4.292 ( 0.000 0.520 -0.000) 0.520 4.352 ( 0.000 2.480 0.000) 2.480 4.406 ( 0.000 5.756 0.000) 5.756 4.420 ( -0.000 0.656 0.000) 0.656 4.421 ( 0.000 2.990 -0.000) 2.990 4.535 ( 0.000 -4.246 0.000) 4.246 4.580 ( 0.000 -2.991 0.000) 2.991 4.583 ( 0.000 -0.802 0.000) 0.802 4.704 ( 0.000 1.992 -0.000) 1.992 4.720 ( 0.000 -1.514 0.000) 1.514 4.765 ( 0.000 -3.879 -0.000) 3.879 4.777 ( -0.000 -3.519 0.000) 3.519 4.875 ( 0.000 -2.304 0.000) 2.304 4.923 ( -0.000 2.107 -0.000) 2.107 4.992 ( 0.000 2.312 0.000) 2.312 5.048 ( 0.000 4.932 0.000) 4.932 5.065 ( 0.000 2.074 0.000) 2.074 5.082 ( 0.000 -0.314 0.000) 0.314 5.095 ( 0.000 1.494 0.000) 1.494 5.225 ( 0.000 7.898 0.000) 7.898 5.239 ( 0.000 2.805 0.000) 2.805 5.384 ( 0.000 5.939 0.000) 5.939 5.412 ( 0.000 7.324 0.000) 7.324 5.427 ( 0.000 1.357 0.000) 1.357 5.466 ( -0.000 2.148 -0.000) 2.148 5.484 ( 0.000 -2.817 0.000) 2.817 5.598 ( -0.000 -7.899 0.000) 7.899 5.630 ( 0.000 -0.568 0.000) 0.568 5.677 ( 0.000 3.240 0.000) 3.240 5.737 ( 0.000 5.200 -0.000) 5.200 5.754 ( 0.000 -3.317 0.000) 3.317 5.810 ( 0.000 2.643 0.000) 2.643 5.860 ( 0.000 5.648 0.000) 5.648 5.916 ( -0.000 1.380 -0.000) 1.380 5.994 ( 0.000 -4.208 0.000) 4.208 6.047 ( -0.000 5.379 -0.000) 5.379 6.053 ( 0.000 -5.817 0.000) 5.817 6.145 ( 0.000 1.082 0.000) 1.082 6.147 ( -0.000 10.743 -0.000) 10.743 6.179 ( 0.000 -2.180 0.000) 2.180 6.284 ( 0.000 8.251 0.000) 8.251 6.321 ( 0.000 -3.510 0.000) 3.510 6.322 ( -0.000 4.233 -0.000) 4.233 6.379 ( 0.000 -1.901 0.000) 1.901 6.437 ( 0.000 0.764 -0.000) 0.764 6.472 ( 0.000 -1.997 0.000) 1.997 6.520 ( -0.000 3.094 0.000) 3.094 6.547 ( 0.000 0.746 0.000) 0.746 6.671 ( 0.000 5.332 0.000) 5.332 6.769 ( 0.000 5.632 -0.000) 5.632 6.822 ( 0.000 2.462 0.000) 2.462 6.872 ( 0.000 2.960 0.000) 2.960 6.902 ( 0.000 1.183 -0.000) 1.183 7.048 ( 0.000 -1.453 0.000) 1.453 7.078 ( 0.000 -7.930 0.000) 7.930 7.171 ( 0.000 -1.759 0.000) 1.759 7.210 ( 0.000 -0.288 0.000) 0.288 7.241 ( 0.000 4.901 0.000) 4.901 7.369 ( 0.000 6.093 0.000) 6.093 7.388 ( 0.000 3.251 0.000) 3.251 7.455 ( 0.000 -4.176 0.000) 4.176 7.526 ( 0.000 -0.988 0.000) 0.988 7.615 ( 0.000 2.184 0.000) 2.184 7.627 ( 0.000 3.027 0.000) 3.027 7.641 ( -0.000 1.465 -0.000) 1.465 7.661 ( 0.000 6.941 0.000) 6.941 7.723 ( 0.000 -4.655 0.000) 4.655 7.887 ( 0.000 2.605 -0.000) 2.605 7.907 ( 0.000 -4.397 0.000) 4.397 7.997 ( 0.000 -3.296 0.000) 3.296 8.077 ( 0.000 -1.850 -0.000) 1.850 8.142 ( 0.000 -0.749 0.000) 0.749 8.160 ( -0.000 -2.834 -0.000) 2.834 8.307 ( 0.000 4.993 0.000) 4.993 8.370 ( 0.000 2.939 0.000) 2.939 8.525 ( -0.000 3.157 -0.000) 3.157 8.531 ( 0.000 6.347 0.000) 6.347 8.603 ( 0.000 1.202 0.000) 1.202 8.733 ( 0.000 4.884 -0.000) 4.884 8.803 ( 0.000 -4.916 0.000) 4.916 8.927 ( 0.000 5.592 0.000) 5.592 9.088 ( 0.000 0.071 0.000) 0.071 9.129 ( 0.000 -4.360 0.000) 4.360 9.241 ( 0.000 3.425 0.000) 3.425 9.262 ( 0.000 6.834 0.000) 6.834 9.432 ( 0.000 10.447 -0.000) 10.447 9.608 ( 0.000 -2.399 0.000) 2.399 9.764 ( 0.000 -11.309 0.000) 11.309 9.847 ( 0.000 -12.578 0.000) 12.578 9.957 ( 0.000 -2.538 0.000) 2.538 10.003 ( 0.000 -10.010 0.000) 10.010 10.043 ( 0.000 -2.682 0.000) 2.682 10.139 ( 0.000 -16.304 -0.000) 16.304 10.335 ( 0.000 7.371 0.000) 7.371 10.359 ( 0.000 -4.088 0.000) 4.088 10.426 ( 0.000 -0.236 0.000) 0.236 10.503 ( 0.000 -7.622 -0.000) 7.622 10.635 ( 0.000 9.643 0.000) 9.643 10.772 ( 0.000 5.719 0.000) 5.719 10.953 ( -0.000 -0.126 -0.000) 0.126 10.960 ( 0.000 0.958 0.000) 0.958 11.056 ( 0.000 5.759 -0.000) 5.759 11.076 ( 0.000 4.126 0.000) 4.126 11.256 ( -0.000 -14.534 -0.000) 14.534 11.257 ( 0.000 -10.652 0.000) 10.652 11.389 ( -0.000 -5.929 0.000) 5.929 11.421 ( 0.000 -10.949 0.000) 10.949 11.559 ( 0.000 -3.697 0.000) 3.697 11.636 ( 0.000 -0.884 0.000) 0.884 11.867 ( 0.000 -7.908 0.000) 7.908 11.947 ( 0.000 -9.864 0.000) 9.864 12.281 ( 0.000 -3.851 0.000) 3.851 12.361 ( 0.000 -2.100 0.000) 2.100 12.608 ( 0.000 -12.313 -0.000) 12.313 12.710 ( 0.000 -9.925 0.000) 9.925 14.588 ( 0.000 -5.711 0.000) 5.711 14.680 ( 0.000 -3.578 0.000) 3.578 14.785 ( 0.000 -4.862 0.000) 4.862 14.822 ( 0.000 1.245 -0.000) 1.245 14.861 ( 0.000 2.951 0.000) 2.951 14.948 ( 0.000 -1.706 -0.000) 1.706 14.964 ( -0.000 -1.256 0.000) 1.256 15.017 ( 0.000 -0.947 0.000) 0.947 15.234 ( 0.000 -1.343 0.000) 1.343 15.250 ( 0.000 2.174 0.000) 2.174 15.362 ( 0.000 2.352 0.000) 2.352 15.390 ( 0.000 0.296 0.000) 0.296 15.470 ( 0.000 7.950 0.000) 7.950 15.504 ( 0.000 2.716 0.000) 2.716 15.570 ( 0.000 2.942 0.000) 2.942 15.600 ( 0.000 1.128 0.000) 1.128 15.772 ( 0.000 -0.160 -0.000) 0.160 15.777 ( -0.000 -0.432 0.000) 0.432 16.016 ( 0.000 4.339 -0.000) 4.339 16.042 ( 0.000 4.618 0.000) 4.618 16.194 ( 0.000 -1.913 0.000) 1.913 16.195 ( 0.000 0.301 -0.000) 0.301 16.365 ( 0.000 1.191 0.000) 1.191 16.369 ( 0.000 1.858 0.000) 1.858 16.740 ( 0.000 25.590 0.000) 25.590 16.821 ( 0.000 25.913 0.000) 25.913 17.065 ( -0.000 46.393 -0.000) 46.393 17.176 ( 0.000 48.301 0.000) 48.301 21.136 ( 0.000 -18.320 0.000) 18.320 21.211 ( 0.000 -17.755 0.000) 17.755 21.688 ( 0.000 -21.917 0.000) 21.917 21.834 ( 0.000 -22.195 -0.000) 22.195 25.284 ( -0.000 1.715 0.000) 1.715 25.285 ( 0.000 2.051 -0.000) 2.051 25.373 ( 0.000 4.980 0.000) 4.980 25.471 ( 0.000 8.320 0.000) 8.320 25.547 ( 0.000 4.973 0.000) 4.973 25.612 ( 0.000 5.076 0.000) 5.076 25.628 ( 0.000 8.354 0.000) 8.354 25.801 ( 0.000 12.540 0.000) 12.540 26.351 ( 0.000 -0.338 0.000) 0.338 26.407 ( 0.000 -0.018 0.000) 0.018 26.547 ( 0.000 0.359 0.000) 0.359 26.571 ( 0.000 1.277 0.000) 1.277 26.780 ( -0.000 -0.694 0.000) 0.694 26.783 ( 0.000 -2.786 0.000) 2.786 26.839 ( -0.000 1.392 -0.000) 1.392 26.840 ( 0.000 0.633 0.000) 0.633 27.072 ( 0.000 -7.283 0.000) 7.283 27.202 ( 0.000 -7.024 0.000) 7.024 27.287 ( 0.000 -5.296 0.000) 5.296 27.367 ( 0.000 -6.839 0.000) 6.839 27.458 ( 0.000 -1.207 0.000) 1.207 27.474 ( -0.000 -5.209 -0.000) 5.209 27.582 ( 0.000 -2.050 0.000) 2.050 27.698 ( 0.000 0.125 0.000) 0.125 28.696 ( 0.000 12.785 0.000) 12.785 28.843 ( 0.000 13.903 0.000) 13.903 29.024 ( 0.000 11.615 0.000) 11.615 29.223 ( 0.000 11.841 0.000) 11.841 30.272 ( 0.000 -12.606 -0.000) 12.606 30.517 ( 0.000 -15.463 0.000) 15.463 30.709 ( 0.000 -19.418 0.000) 19.418 30.768 ( 0.000 -15.194 0.000) 15.194 ======================= Grid point 10 (7/50) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 32.910 0.000) 32.910 1.579 ( 0.000 12.509 0.000) 12.509 1.724 ( 0.000 38.679 0.000) 38.679 2.070 ( 0.000 -5.386 0.000) 5.386 2.112 ( 0.000 -2.335 0.000) 2.335 2.381 ( 0.000 14.382 0.000) 14.382 2.434 ( 0.000 20.403 0.000) 20.403 2.506 ( 0.000 -1.678 0.000) 1.678 2.628 ( 0.000 -2.855 0.000) 2.855 2.683 ( 0.000 2.695 0.000) 2.695 2.895 ( 0.000 -5.703 0.000) 5.703 2.975 ( 0.000 6.555 0.000) 6.555 3.175 ( 0.000 1.750 0.000) 1.750 3.290 ( 0.000 9.364 0.000) 9.364 3.322 ( 0.000 10.210 0.000) 10.210 3.349 ( 0.000 -9.206 0.000) 9.206 3.395 ( 0.000 14.002 0.000) 14.002 3.424 ( 0.000 -3.357 0.000) 3.357 3.504 ( 0.000 -1.374 0.000) 1.374 3.552 ( 0.000 9.151 0.000) 9.151 3.615 ( 0.000 -2.241 0.000) 2.241 3.688 ( 0.000 8.320 0.000) 8.320 3.723 ( 0.000 -6.485 0.000) 6.485 3.734 ( 0.000 3.214 0.000) 3.214 3.769 ( 0.000 -12.661 0.000) 12.661 3.791 ( 0.000 -0.906 0.000) 0.906 3.886 ( 0.000 1.853 0.000) 1.853 3.911 ( 0.000 -1.478 0.000) 1.478 3.964 ( 0.000 -5.238 0.000) 5.238 4.035 ( 0.000 1.996 0.000) 1.996 4.042 ( 0.000 9.888 0.000) 9.888 4.089 ( 0.000 0.011 0.000) 0.011 4.146 ( 0.000 3.917 0.000) 3.917 4.196 ( 0.000 2.947 0.000) 2.947 4.215 ( 0.000 5.203 0.000) 5.203 4.283 ( 0.000 1.288 0.000) 1.288 4.307 ( 0.000 1.429 0.000) 1.429 4.360 ( 0.000 -3.371 0.000) 3.371 4.436 ( 0.000 -0.662 0.000) 0.662 4.451 ( 0.000 -3.493 0.000) 3.493 4.492 ( 0.000 2.744 0.000) 2.744 4.531 ( 0.000 1.806 0.000) 1.806 4.540 ( 0.000 1.677 0.000) 1.677 4.569 ( 0.000 0.846 0.000) 0.846 4.617 ( 0.000 -4.188 0.000) 4.188 4.732 ( 0.000 1.795 0.000) 1.795 4.759 ( 0.000 -1.297 0.000) 1.297 4.797 ( 0.000 -1.229 0.000) 1.229 4.842 ( 0.000 3.135 0.000) 3.135 4.869 ( 0.000 -1.886 0.000) 1.886 4.965 ( 0.000 -5.561 0.000) 5.561 4.979 ( 0.000 -2.178 0.000) 2.178 4.996 ( 0.000 4.610 0.000) 4.610 5.026 ( 0.000 1.661 0.000) 1.661 5.113 ( 0.000 1.949 0.000) 1.949 5.168 ( 0.000 1.340 0.000) 1.340 5.266 ( 0.000 2.371 0.000) 2.371 5.327 ( 0.000 6.154 0.000) 6.154 5.360 ( 0.000 -1.519 0.000) 1.519 5.380 ( 0.000 5.361 0.000) 5.361 5.535 ( 0.000 7.315 0.000) 7.315 5.569 ( 0.000 1.398 0.000) 1.398 5.595 ( 0.000 9.494 0.000) 9.494 5.681 ( 0.000 -0.462 0.000) 0.462 5.729 ( 0.000 4.436 0.000) 4.436 5.744 ( 0.000 4.055 0.000) 4.055 5.777 ( 0.000 5.673 0.000) 5.673 5.801 ( 0.000 5.253 0.000) 5.253 5.891 ( 0.000 1.197 0.000) 1.197 5.924 ( 0.000 7.067 0.000) 7.067 5.937 ( 0.000 7.715 0.000) 7.715 5.971 ( 0.000 4.848 0.000) 4.848 6.016 ( 0.000 -1.514 0.000) 1.514 6.021 ( 0.000 2.152 0.000) 2.152 6.136 ( 0.000 -0.201 0.000) 0.201 6.216 ( 0.000 -1.217 0.000) 1.217 6.216 ( 0.000 1.073 0.000) 1.073 6.280 ( 0.000 6.231 0.000) 6.231 6.309 ( 0.000 -4.591 0.000) 4.591 6.353 ( 0.000 2.223 0.000) 2.223 6.414 ( 0.000 -3.516 0.000) 3.516 6.465 ( 0.000 2.037 0.000) 2.037 6.491 ( 0.000 8.582 0.000) 8.582 6.590 ( 0.000 5.775 0.000) 5.775 6.615 ( 0.000 -5.069 0.000) 5.069 6.703 ( 0.000 -1.650 0.000) 1.650 6.774 ( 0.000 -4.543 0.000) 4.543 6.789 ( 0.000 3.900 0.000) 3.900 6.873 ( 0.000 -4.475 0.000) 4.475 6.902 ( 0.000 6.037 0.000) 6.037 6.945 ( 0.000 5.498 0.000) 5.498 6.996 ( 0.000 4.609 0.000) 4.609 7.065 ( 0.000 -2.179 0.000) 2.179 7.203 ( 0.000 11.701 0.000) 11.701 7.290 ( 0.000 1.612 0.000) 1.612 7.332 ( 0.000 7.622 0.000) 7.622 7.410 ( 0.000 -12.881 0.000) 12.881 7.445 ( 0.000 0.310 0.000) 0.310 7.479 ( 0.000 5.145 0.000) 5.145 7.507 ( 0.000 -2.286 0.000) 2.286 7.628 ( 0.000 -12.640 0.000) 12.640 7.686 ( 0.000 0.833 0.000) 0.833 7.800 ( 0.000 4.348 0.000) 4.348 7.833 ( 0.000 -8.039 0.000) 8.039 7.874 ( 0.000 -2.927 0.000) 2.927 7.935 ( 0.000 2.792 0.000) 2.792 7.959 ( 0.000 3.893 0.000) 3.893 7.965 ( 0.000 -1.118 0.000) 1.118 8.206 ( 0.000 -5.692 0.000) 5.692 8.244 ( 0.000 -8.210 0.000) 8.210 8.277 ( 0.000 -0.769 0.000) 0.769 8.351 ( 0.000 -9.345 0.000) 9.345 8.721 ( 0.000 7.685 0.000) 7.685 8.813 ( 0.000 16.462 0.000) 16.462 8.857 ( 0.000 13.961 0.000) 13.961 8.960 ( 0.000 4.617 0.000) 4.617 8.984 ( 0.000 -0.055 0.000) 0.055 8.997 ( 0.000 -2.116 0.000) 2.116 9.062 ( 0.000 -1.416 0.000) 1.416 9.182 ( 0.000 1.980 0.000) 1.980 9.254 ( 0.000 5.311 0.000) 5.311 9.267 ( 0.000 -7.794 0.000) 7.794 9.322 ( 0.000 6.275 0.000) 6.275 9.518 ( 0.000 -9.966 0.000) 9.966 9.675 ( 0.000 -2.093 0.000) 2.093 9.763 ( 0.000 -5.090 0.000) 5.090 9.835 ( 0.000 -0.363 0.000) 0.363 9.912 ( 0.000 -7.927 0.000) 7.927 9.950 ( 0.000 -6.661 0.000) 6.661 9.969 ( 0.000 -16.163 0.000) 16.163 10.011 ( 0.000 -0.421 0.000) 0.421 10.202 ( 0.000 -6.846 0.000) 6.846 10.214 ( 0.000 -6.037 0.000) 6.037 10.412 ( 0.000 1.668 0.000) 1.668 10.581 ( 0.000 -1.231 0.000) 1.231 10.766 ( 0.000 -4.164 0.000) 4.164 10.885 ( 0.000 6.992 0.000) 6.992 10.968 ( 0.000 2.994 0.000) 2.994 11.020 ( 0.000 -1.439 0.000) 1.439 11.111 ( 0.000 -7.237 0.000) 7.237 11.230 ( 0.000 -9.856 0.000) 9.856 11.266 ( 0.000 -0.768 0.000) 0.768 11.294 ( 0.000 -9.847 0.000) 9.847 11.320 ( 0.000 -3.007 0.000) 3.007 11.401 ( 0.000 -0.566 0.000) 0.566 11.412 ( 0.000 1.346 0.000) 1.346 11.563 ( 0.000 7.306 0.000) 7.306 11.937 ( 0.000 -1.314 0.000) 1.314 11.971 ( 0.000 -6.235 0.000) 6.235 12.138 ( 0.000 -9.629 0.000) 9.629 12.235 ( 0.000 -7.367 0.000) 7.367 12.737 ( 0.000 0.160 0.000) 0.160 14.662 ( 0.000 -5.736 0.000) 5.736 14.756 ( 0.000 -2.505 0.000) 2.505 14.770 ( 0.000 2.258 0.000) 2.258 14.865 ( 0.000 -3.604 0.000) 3.604 14.894 ( 0.000 0.287 0.000) 0.287 14.967 ( 0.000 2.390 0.000) 2.390 15.003 ( 0.000 7.333 0.000) 7.333 15.213 ( 0.000 4.658 0.000) 4.658 15.263 ( 0.000 5.043 0.000) 5.043 15.275 ( 0.000 1.136 0.000) 1.136 15.347 ( 0.000 3.564 0.000) 3.564 15.444 ( 0.000 5.781 0.000) 5.781 15.468 ( 0.000 -0.618 0.000) 0.618 15.550 ( 0.000 1.560 0.000) 1.560 15.605 ( 0.000 -1.372 0.000) 1.372 15.642 ( 0.000 3.700 0.000) 3.700 15.861 ( 0.000 -2.148 0.000) 2.148 15.880 ( 0.000 0.479 0.000) 0.479 16.059 ( 0.000 0.746 0.000) 0.746 16.121 ( 0.000 -1.723 0.000) 1.723 16.216 ( 0.000 -2.351 0.000) 2.351 16.239 ( 0.000 3.242 0.000) 3.242 16.253 ( 0.000 -0.801 0.000) 0.801 16.284 ( 0.000 4.722 0.000) 4.722 17.374 ( 0.000 42.196 0.000) 42.196 17.470 ( 0.000 40.440 0.000) 40.440 17.529 ( 0.000 41.011 0.000) 41.011 19.459 ( 0.000 3.481 0.000) 3.481 20.462 ( 0.000 -8.862 0.000) 8.862 20.779 ( 0.000 -21.633 0.000) 21.633 21.184 ( 0.000 -32.208 0.000) 32.208 21.299 ( 0.000 -32.471 0.000) 32.471 25.369 ( 0.000 1.795 0.000) 1.795 25.424 ( 0.000 5.445 0.000) 5.445 25.536 ( 0.000 5.401 0.000) 5.401 25.627 ( 0.000 6.608 0.000) 6.608 25.638 ( 0.000 6.962 0.000) 6.962 25.670 ( 0.000 4.645 0.000) 4.645 25.879 ( 0.000 7.767 0.000) 7.767 26.205 ( 0.000 0.976 0.000) 0.976 26.347 ( 0.000 -0.601 0.000) 0.601 26.383 ( 0.000 -1.118 0.000) 1.118 26.458 ( 0.000 0.351 0.000) 0.351 26.570 ( 0.000 1.289 0.000) 1.289 26.587 ( 0.000 0.191 0.000) 0.191 26.601 ( 0.000 0.209 0.000) 0.209 26.783 ( 0.000 -0.999 0.000) 0.999 26.849 ( 0.000 -1.204 0.000) 1.204 26.945 ( 0.000 1.252 0.000) 1.252 26.951 ( 0.000 -7.932 0.000) 7.932 27.098 ( 0.000 -3.035 0.000) 3.035 27.241 ( 0.000 -3.147 0.000) 3.147 27.393 ( 0.000 -1.483 0.000) 1.483 27.429 ( 0.000 -5.550 0.000) 5.550 27.496 ( 0.000 -4.315 0.000) 4.315 27.648 ( 0.000 -6.977 0.000) 6.977 29.002 ( 0.000 14.733 0.000) 14.733 29.194 ( 0.000 11.816 0.000) 11.816 29.407 ( 0.000 -1.325 0.000) 1.325 29.460 ( 0.000 12.978 0.000) 12.978 29.644 ( 0.000 8.070 0.000) 8.070 30.082 ( 0.000 -16.632 0.000) 16.632 30.433 ( 0.000 -16.627 0.000) 16.627 30.559 ( 0.000 -15.640 0.000) 15.640 ======================= Grid point 11 (8/50) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 2.931 12.430 2.055) 12.935 1.708 ( 14.276 22.998 5.133) 27.551 1.840 ( 7.415 17.549 3.922) 19.451 2.030 ( 0.768 4.648 -0.727) 4.767 2.130 ( 1.444 -1.415 4.125) 4.594 2.422 ( 2.328 -0.334 1.647) 2.871 2.461 ( 4.164 11.162 0.229) 11.915 2.578 ( -2.566 2.238 1.954) 3.925 2.592 ( -0.995 -2.049 -14.168) 14.350 2.708 ( 5.817 2.969 2.133) 6.871 2.836 ( -4.045 4.961 -2.837) 7.001 2.935 ( -9.379 7.455 6.810) 13.781 3.039 ( -9.752 0.382 -9.132) 13.366 3.159 ( -5.927 8.396 -0.532) 10.291 3.213 ( -3.798 5.178 -1.846) 6.682 3.251 ( -2.912 16.099 -7.749) 18.102 3.351 ( -2.068 -2.304 -0.896) 3.223 3.417 ( -8.461 0.388 0.018) 8.470 3.447 ( -4.612 -1.444 -1.846) 5.173 3.486 ( -6.727 5.439 3.754) 9.430 3.634 ( -0.110 -0.234 -0.350) 0.435 3.643 ( -0.959 -1.227 -0.811) 1.755 3.682 ( 1.446 -2.992 -4.691) 5.748 3.750 ( 1.540 0.257 2.987) 3.370 3.797 ( 0.586 -1.215 3.015) 3.303 3.820 ( 4.281 1.802 -1.592) 4.911 3.900 ( -0.780 -5.202 -4.020) 6.620 3.908 ( 2.042 -0.088 -1.217) 2.378 3.937 ( -0.571 2.747 2.118) 3.516 4.030 ( 3.168 0.304 -2.391) 3.981 4.113 ( 3.000 2.173 4.409) 5.759 4.157 ( 5.372 1.621 1.750) 5.878 4.169 ( -2.596 5.420 2.460) 6.493 4.205 ( -0.850 -0.305 2.959) 3.093 4.254 ( 0.624 3.196 -1.302) 3.507 4.271 ( 2.534 2.902 2.381) 4.529 4.295 ( -1.213 1.522 3.749) 4.224 4.367 ( 3.576 1.692 -0.767) 4.030 4.389 ( -4.221 -2.960 -3.662) 6.324 4.449 ( -4.995 -0.123 -2.566) 5.617 4.472 ( 1.135 3.884 -3.287) 5.213 4.509 ( -0.260 1.414 -0.632) 1.571 4.573 ( 1.262 1.836 1.844) 2.892 4.594 ( 1.861 0.373 -0.484) 1.959 4.627 ( 2.422 1.929 3.129) 4.402 4.703 ( -5.686 -0.663 0.258) 5.730 4.762 ( -2.957 -0.330 0.397) 3.002 4.772 ( 0.027 -0.364 -0.240) 0.437 4.812 ( -4.068 -0.831 -0.087) 4.153 4.892 ( 1.214 0.209 0.981) 1.575 4.956 ( 3.212 0.808 -4.974) 5.976 5.006 ( 1.752 4.937 -1.228) 5.380 5.054 ( 1.893 -0.938 5.052) 5.476 5.090 ( 6.237 3.230 0.985) 7.093 5.129 ( 1.237 -0.084 3.133) 3.370 5.193 ( 0.317 3.763 0.872) 3.875 5.249 ( -4.592 4.522 -2.664) 6.974 5.297 ( 3.522 2.151 1.222) 4.304 5.355 ( 5.728 -0.671 -3.596) 6.797 5.393 ( -0.094 6.837 -1.205) 6.943 5.521 ( 0.476 9.105 -3.887) 9.912 5.536 ( -3.997 1.780 0.813) 4.450 5.665 ( -1.772 6.420 0.639) 6.690 5.686 ( -1.991 2.392 -6.472) 7.181 5.707 ( -6.147 5.890 3.667) 9.270 5.737 ( -1.892 0.882 1.491) 2.565 5.764 ( -0.113 7.295 -0.694) 7.328 5.793 ( 0.771 2.251 4.749) 5.312 5.883 ( 0.146 5.813 -0.718) 5.859 5.916 ( -0.707 -1.068 -1.762) 2.178 5.973 ( -3.553 3.641 -2.220) 5.550 5.996 ( 3.313 4.595 -0.947) 5.743 6.013 ( 7.258 2.794 -0.178) 7.779 6.105 ( -0.022 1.499 6.189) 6.368 6.125 ( 4.887 -0.026 4.026) 6.332 6.181 ( -0.581 2.395 -2.511) 3.518 6.217 ( 1.952 1.195 -2.731) 3.563 6.250 ( 3.211 1.483 -2.598) 4.389 6.311 ( 1.853 2.326 4.526) 5.415 6.388 ( -2.365 1.211 5.162) 5.806 6.417 ( 1.048 2.746 1.167) 3.163 6.497 ( 2.727 2.400 0.531) 3.671 6.524 ( -1.129 4.066 -1.342) 4.428 6.594 ( -3.371 1.601 2.062) 4.263 6.628 ( -2.809 1.744 -1.437) 3.605 6.705 ( 4.545 3.585 3.627) 6.832 6.769 ( 1.681 1.541 -1.318) 2.634 6.776 ( 3.086 0.074 1.620) 3.486 6.829 ( -3.001 -3.798 3.881) 6.204 6.905 ( 2.901 1.919 -3.030) 4.612 6.963 ( 0.078 -0.377 -1.754) 1.796 7.004 ( -2.369 -1.776 -1.064) 3.147 7.105 ( 4.099 0.972 0.309) 4.224 7.203 ( -9.877 -4.741 4.513) 11.849 7.270 ( -1.546 0.842 3.742) 4.135 7.401 ( 0.027 -4.103 0.568) 4.142 7.406 ( 6.977 5.474 -2.884) 9.325 7.447 ( 2.222 1.773 2.074) 3.519 7.506 ( 2.551 1.651 -3.446) 4.595 7.574 ( 2.867 -1.764 -0.982) 3.507 7.588 ( -6.227 -3.834 -3.996) 8.333 7.622 ( 2.519 -9.598 -4.757) 11.005 7.738 ( -5.052 3.504 3.561) 7.105 7.770 ( 2.041 -2.641 -3.802) 5.059 7.887 ( -0.223 -3.618 -2.450) 4.375 7.901 ( -1.149 8.228 -0.549) 8.326 7.935 ( 3.865 1.091 -3.247) 5.164 8.059 ( -6.316 -3.331 4.474) 8.426 8.077 ( -1.622 -0.326 4.711) 4.993 8.175 ( -4.047 -2.488 -2.440) 5.341 8.390 ( 2.179 -1.137 3.728) 4.465 8.448 ( 4.112 -9.366 1.133) 10.292 8.668 ( -3.445 8.652 -4.231) 10.229 8.769 ( -2.525 13.737 -1.382) 14.036 8.788 ( -5.980 11.578 0.641) 13.047 8.872 ( -0.789 1.634 -6.573) 6.818 8.921 ( -6.251 4.834 0.070) 7.903 9.036 ( 2.083 -1.064 1.364) 2.707 9.056 ( -1.184 -2.971 -5.430) 6.302 9.164 ( 5.062 3.768 2.128) 6.660 9.191 ( -2.312 5.820 3.715) 7.281 9.338 ( 3.384 3.275 -0.820) 4.780 9.450 ( 2.916 -2.439 3.369) 5.079 9.556 ( 2.630 -6.276 5.847) 8.971 9.606 ( -4.927 -2.618 0.288) 5.587 9.726 ( -4.810 -3.602 -0.667) 6.047 9.826 ( 0.388 -8.925 -6.775) 11.212 9.881 ( -6.274 -9.829 0.769) 11.686 9.949 ( 3.146 -1.909 -3.358) 4.982 9.982 ( 0.974 -5.223 -2.263) 5.774 10.076 ( 3.891 -11.640 7.380) 14.321 10.168 ( 4.557 -10.953 -2.007) 12.032 10.399 ( 8.790 -1.495 -2.265) 9.199 10.428 ( 1.619 -0.043 -0.442) 1.679 10.666 ( 3.595 -6.138 8.979) 11.455 10.810 ( 3.868 -2.775 1.756) 5.074 10.856 ( -3.644 4.980 1.709) 6.403 10.999 ( -3.620 -5.677 7.621) 10.170 11.036 ( 1.244 -1.790 -2.711) 3.478 11.085 ( -0.601 -0.560 2.534) 2.664 11.176 ( -7.004 -2.357 -5.963) 9.496 11.185 ( -1.302 -3.568 -4.186) 5.652 11.250 ( -2.765 -4.415 0.692) 5.254 11.313 ( 0.840 -3.632 -3.358) 5.017 11.386 ( 4.619 -4.346 -1.067) 6.431 11.473 ( 5.167 -5.413 -0.069) 7.483 11.680 ( 4.899 4.596 4.319) 7.986 11.891 ( -2.398 -2.002 -1.591) 3.505 12.074 ( 6.701 -8.485 2.321) 11.058 12.210 ( 2.659 -8.352 5.257) 10.221 12.244 ( 2.383 -7.005 0.591) 7.423 12.672 ( -5.778 -3.128 -2.881) 7.174 14.599 ( -2.187 -1.280 -2.364) 3.465 14.747 ( -1.587 -1.434 -1.160) 2.433 14.761 ( -1.645 3.088 0.112) 3.501 14.880 ( 1.212 -0.615 -0.578) 1.477 14.916 ( -1.483 2.527 -2.725) 4.001 14.928 ( -1.321 2.252 -0.148) 2.615 14.959 ( -0.282 1.921 -0.526) 2.012 15.146 ( -4.462 5.802 -1.576) 7.487 15.221 ( -1.137 1.436 -0.126) 1.836 15.287 ( -1.991 2.041 3.527) 4.535 15.380 ( 1.339 1.739 0.613) 2.279 15.431 ( 0.902 -0.116 -0.736) 1.170 15.505 ( 1.751 5.085 -1.829) 5.680 15.559 ( 1.558 2.737 0.173) 3.154 15.608 ( -0.060 -0.150 1.740) 1.747 15.651 ( 0.207 2.778 -0.800) 2.898 15.809 ( -4.819 -1.419 1.297) 5.188 15.834 ( -0.334 1.151 -6.491) 6.600 16.058 ( -2.887 0.537 4.153) 5.086 16.132 ( 0.998 -1.239 -2.105) 2.638 16.160 ( 0.055 0.845 -3.873) 3.965 16.183 ( -2.187 -1.061 2.598) 3.558 16.347 ( 6.695 1.688 -1.330) 7.032 16.383 ( 1.572 2.020 6.008) 6.531 17.423 ( 0.964 41.719 3.271) 41.858 17.515 ( 1.845 41.258 -0.398) 41.301 17.604 ( 10.702 40.911 5.339) 42.624 18.832 ( -37.097 28.468 -22.060) 51.703 20.640 ( 4.102 -18.953 8.776) 21.285 20.791 ( 3.307 -21.141 -3.930) 21.756 21.157 ( -2.576 -31.685 0.262) 31.790 21.282 ( -0.501 -32.159 -1.768) 32.211 25.354 ( -1.712 2.386 0.425) 2.967 25.387 ( -2.128 4.310 -2.245) 5.305 25.496 ( 0.120 6.113 -2.052) 6.450 25.586 ( -0.411 4.233 -2.699) 5.037 25.685 ( 0.514 6.510 2.961) 7.170 25.756 ( 2.318 7.795 5.885) 10.038 25.814 ( -3.355 9.034 -2.045) 9.852 26.103 ( -5.462 7.917 -3.305) 10.170 26.341 ( 0.067 -0.792 -0.320) 0.857 26.388 ( 0.918 -0.908 -0.185) 1.305 26.557 ( 2.318 -0.177 1.144) 2.591 26.580 ( 3.031 0.383 -0.592) 3.112 26.615 ( 4.298 -0.785 0.110) 4.371 26.660 ( 6.000 -1.985 2.088) 6.656 26.807 ( 1.603 0.766 2.125) 2.770 26.915 ( -3.112 0.857 0.095) 3.230 26.948 ( 2.605 -4.791 2.053) 5.827 27.011 ( 5.991 -7.183 4.447) 10.357 27.075 ( -1.507 -4.393 -1.932) 5.030 27.266 ( 0.619 -4.728 1.621) 5.036 27.363 ( -0.116 -2.528 -3.069) 3.978 27.460 ( -0.096 -5.059 1.701) 5.339 27.483 ( 0.210 -4.326 -1.173) 4.487 27.654 ( -0.012 -5.957 0.083) 5.957 28.993 ( -1.013 14.664 1.099) 14.740 29.174 ( -1.856 12.787 -0.053) 12.921 29.295 ( -1.109 11.113 -4.096) 11.896 29.508 ( -5.543 11.390 6.256) 14.127 29.875 ( 17.015 -10.765 3.019) 20.359 30.050 ( -0.677 -15.828 -1.696) 15.933 30.386 ( -3.880 -16.184 -1.239) 16.689 30.512 ( -3.905 -16.293 -1.824) 16.854 ======================= Grid point 12 (9/50) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.000 4.983 0.000) 4.983 1.828 ( 0.000 10.499 -0.000) 10.499 1.993 ( 0.000 4.123 0.000) 4.123 2.164 ( 0.000 12.761 0.000) 12.761 2.211 ( -0.000 8.543 -0.000) 8.543 2.429 ( -0.000 -5.602 -0.000) 5.602 2.435 ( 0.000 0.850 0.000) 0.850 2.511 ( 0.000 -4.190 -0.000) 4.190 2.594 ( 0.000 4.510 0.000) 4.510 2.692 ( -0.000 -0.628 0.000) 0.628 2.744 ( 0.000 1.833 0.000) 1.833 2.799 ( 0.000 14.089 0.000) 14.089 2.992 ( 0.000 5.037 0.000) 5.037 3.095 ( -0.000 9.296 -0.000) 9.296 3.110 ( 0.000 8.951 0.000) 8.951 3.164 ( 0.000 6.287 0.000) 6.287 3.284 ( 0.000 7.098 -0.000) 7.098 3.336 ( 0.000 5.617 0.000) 5.617 3.366 ( 0.000 0.518 0.000) 0.518 3.544 ( 0.000 -3.152 0.000) 3.152 3.578 ( 0.000 -5.160 -0.000) 5.160 3.632 ( 0.000 2.178 -0.000) 2.178 3.683 ( -0.000 -4.908 0.000) 4.908 3.794 ( 0.000 -4.167 0.000) 4.167 3.835 ( 0.000 -3.110 0.000) 3.110 3.835 ( -0.000 -0.711 -0.000) 0.711 3.876 ( 0.000 -5.166 0.000) 5.166 3.927 ( 0.000 1.850 0.000) 1.850 4.015 ( 0.000 6.747 0.000) 6.747 4.097 ( 0.000 8.611 -0.000) 8.611 4.113 ( -0.000 0.037 0.000) 0.037 4.131 ( 0.000 1.288 0.000) 1.288 4.193 ( -0.000 3.726 0.000) 3.726 4.255 ( 0.000 -0.016 0.000) 0.016 4.282 ( 0.000 -0.890 0.000) 0.890 4.302 ( 0.000 -5.722 -0.000) 5.722 4.303 ( 0.000 5.077 0.000) 5.077 4.337 ( 0.000 4.548 0.000) 4.548 4.385 ( 0.000 8.121 0.000) 8.121 4.418 ( 0.000 7.213 0.000) 7.213 4.476 ( 0.000 4.915 0.000) 4.915 4.524 ( 0.000 -0.101 0.000) 0.101 4.573 ( 0.000 6.401 -0.000) 6.401 4.599 ( 0.000 5.017 0.000) 5.017 4.618 ( 0.000 1.794 0.000) 1.794 4.691 ( 0.000 2.046 -0.000) 2.046 4.720 ( 0.000 1.536 0.000) 1.536 4.747 ( 0.000 -3.675 0.000) 3.675 4.762 ( 0.000 -0.740 -0.000) 0.740 4.787 ( 0.000 1.621 0.000) 1.621 4.969 ( 0.000 2.938 0.000) 2.938 5.010 ( 0.000 -2.686 0.000) 2.686 5.147 ( -0.000 4.494 -0.000) 4.494 5.149 ( 0.000 3.396 0.000) 3.396 5.165 ( 0.000 8.714 0.000) 8.714 5.196 ( 0.000 -0.724 0.000) 0.724 5.241 ( 0.000 4.645 0.000) 4.645 5.346 ( 0.000 0.033 0.000) 0.033 5.413 ( -0.000 -3.025 -0.000) 3.025 5.429 ( 0.000 4.603 0.000) 4.603 5.483 ( 0.000 2.411 0.000) 2.411 5.512 ( -0.000 8.040 0.000) 8.040 5.529 ( 0.000 3.389 -0.000) 3.389 5.657 ( 0.000 11.429 0.000) 11.429 5.676 ( 0.000 1.990 0.000) 1.990 5.702 ( 0.000 0.394 0.000) 0.394 5.723 ( -0.000 1.219 -0.000) 1.219 5.858 ( 0.000 0.690 -0.000) 0.690 5.874 ( 0.000 -4.430 0.000) 4.430 5.921 ( 0.000 10.674 0.000) 10.674 5.972 ( 0.000 -0.149 0.000) 0.149 5.987 ( -0.000 7.758 0.000) 7.758 6.025 ( 0.000 -2.860 -0.000) 2.860 6.138 ( 0.000 9.409 0.000) 9.409 6.177 ( 0.000 2.552 0.000) 2.552 6.214 ( 0.000 3.972 -0.000) 3.972 6.249 ( 0.000 -2.249 0.000) 2.249 6.312 ( 0.000 3.360 0.000) 3.360 6.348 ( 0.000 1.209 -0.000) 1.209 6.372 ( 0.000 2.594 0.000) 2.594 6.462 ( 0.000 2.074 0.000) 2.074 6.476 ( 0.000 3.055 0.000) 3.055 6.504 ( 0.000 7.897 -0.000) 7.897 6.605 ( 0.000 5.917 0.000) 5.917 6.619 ( 0.000 6.702 0.000) 6.702 6.783 ( 0.000 3.760 -0.000) 3.760 6.805 ( 0.000 -2.203 -0.000) 2.203 6.839 ( -0.000 -6.133 -0.000) 6.133 6.867 ( -0.000 2.343 -0.000) 2.343 6.883 ( 0.000 -0.521 0.000) 0.521 6.968 ( 0.000 -3.190 -0.000) 3.190 6.980 ( 0.000 -5.521 0.000) 5.521 7.057 ( -0.000 -10.137 -0.000) 10.137 7.156 ( -0.000 2.046 0.000) 2.046 7.286 ( 0.000 -1.552 0.000) 1.552 7.327 ( 0.000 -6.199 0.000) 6.199 7.466 ( 0.000 -4.656 -0.000) 4.656 7.468 ( -0.000 8.656 0.000) 8.656 7.521 ( 0.000 2.439 0.000) 2.439 7.558 ( 0.000 -9.306 0.000) 9.306 7.608 ( 0.000 -4.828 -0.000) 4.828 7.621 ( 0.000 0.280 -0.000) 0.280 7.675 ( -0.000 0.317 0.000) 0.317 7.764 ( 0.000 -4.029 0.000) 4.029 7.879 ( 0.000 2.695 0.000) 2.695 7.888 ( -0.000 8.109 -0.000) 8.109 7.985 ( -0.000 -3.600 -0.000) 3.600 7.999 ( 0.000 0.701 0.000) 0.701 8.091 ( 0.000 0.797 -0.000) 0.797 8.124 ( 0.000 -0.027 0.000) 0.027 8.417 ( 0.000 0.595 0.000) 0.595 8.479 ( 0.000 -2.627 0.000) 2.627 8.602 ( 0.000 8.849 0.000) 8.849 8.711 ( 0.000 3.446 -0.000) 3.446 8.740 ( 0.000 9.940 0.000) 9.940 8.824 ( 0.000 10.529 0.000) 10.529 8.871 ( 0.000 3.675 0.000) 3.675 9.011 ( 0.000 -3.458 0.000) 3.458 9.087 ( 0.000 -1.593 -0.000) 1.593 9.145 ( 0.000 7.662 0.000) 7.662 9.306 ( 0.000 4.214 0.000) 4.214 9.397 ( 0.000 3.364 0.000) 3.364 9.440 ( 0.000 -9.414 0.000) 9.414 9.582 ( 0.000 -8.640 0.000) 8.640 9.620 ( 0.000 4.255 -0.000) 4.255 9.629 ( -0.000 -3.092 -0.000) 3.092 9.788 ( 0.000 -7.951 0.000) 7.951 9.814 ( 0.000 -12.745 -0.000) 12.745 9.943 ( 0.000 1.424 0.000) 1.424 9.986 ( 0.000 -3.235 0.000) 3.235 10.166 ( 0.000 -13.185 0.000) 13.185 10.236 ( 0.000 -14.863 0.000) 14.863 10.434 ( 0.000 -0.737 0.000) 0.737 10.444 ( 0.000 -0.635 0.000) 0.635 10.794 ( 0.000 -4.867 0.000) 4.867 10.803 ( 0.000 4.787 0.000) 4.787 10.941 ( -0.000 -5.662 -0.000) 5.662 10.956 ( 0.000 -2.009 -0.000) 2.009 10.972 ( 0.000 -5.192 0.000) 5.192 11.048 ( 0.000 -5.667 0.000) 5.667 11.125 ( 0.000 -0.056 -0.000) 0.056 11.152 ( 0.000 1.445 0.000) 1.445 11.244 ( 0.000 -4.128 0.000) 4.128 11.295 ( 0.000 -2.695 0.000) 2.695 11.449 ( 0.000 -6.289 0.000) 6.289 11.525 ( 0.000 -8.084 0.000) 8.084 11.768 ( 0.000 0.701 0.000) 0.701 11.841 ( 0.000 -0.580 0.000) 0.580 12.159 ( 0.000 -7.866 0.000) 7.866 12.224 ( 0.000 -10.817 0.000) 10.817 12.401 ( 0.000 -6.199 0.000) 6.199 12.513 ( -0.000 -8.643 0.000) 8.643 14.590 ( -0.000 4.559 0.000) 4.559 14.663 ( 0.000 2.310 0.000) 2.310 14.763 ( 0.000 1.778 0.000) 1.778 14.847 ( 0.000 1.761 0.000) 1.761 14.901 ( 0.000 -1.644 0.000) 1.644 14.930 ( 0.000 3.340 -0.000) 3.340 14.969 ( 0.000 1.607 0.000) 1.607 15.077 ( 0.000 4.834 0.000) 4.834 15.223 ( 0.000 0.594 0.000) 0.594 15.291 ( 0.000 2.010 0.000) 2.010 15.396 ( 0.000 -0.414 0.000) 0.414 15.409 ( -0.000 2.152 0.000) 2.152 15.561 ( 0.000 -0.575 0.000) 0.575 15.575 ( -0.000 4.083 0.000) 4.083 15.600 ( 0.000 1.127 0.000) 1.127 15.638 ( 0.000 4.164 0.000) 4.164 15.768 ( 0.000 -0.414 -0.000) 0.414 15.783 ( 0.000 0.947 0.000) 0.947 16.056 ( 0.000 0.920 -0.000) 0.920 16.110 ( -0.000 1.906 0.000) 1.906 16.162 ( 0.000 -1.259 0.000) 1.259 16.179 ( 0.000 -2.003 0.000) 2.003 16.408 ( 0.000 1.439 0.000) 1.439 16.429 ( 0.000 1.862 0.000) 1.862 17.448 ( 0.000 41.257 0.000) 41.257 17.526 ( 0.000 40.973 -0.000) 40.973 17.977 ( -0.000 40.843 -0.000) 40.843 18.116 ( 0.000 41.684 0.000) 41.684 20.712 ( 0.000 -21.803 0.000) 21.803 20.805 ( 0.000 -20.750 0.000) 20.750 21.129 ( 0.000 -31.156 0.000) 31.156 21.265 ( 0.000 -31.796 0.000) 31.796 25.340 ( 0.000 3.105 0.000) 3.105 25.345 ( 0.000 3.653 -0.000) 3.653 25.495 ( 0.000 6.158 0.000) 6.158 25.574 ( 0.000 2.797 0.000) 2.797 25.685 ( 0.000 7.669 0.000) 7.669 25.777 ( 0.000 9.627 0.000) 9.627 25.825 ( 0.000 9.529 0.000) 9.529 26.024 ( 0.000 8.531 0.000) 8.531 26.340 ( 0.000 -0.697 0.000) 0.697 26.399 ( 0.000 -0.931 0.000) 0.931 26.555 ( 0.000 0.346 0.000) 0.346 26.602 ( 0.000 1.429 0.000) 1.429 26.704 ( 0.000 -4.542 0.000) 4.542 26.762 ( 0.000 -1.387 0.000) 1.387 26.858 ( 0.000 1.204 -0.000) 1.204 26.867 ( 0.000 1.228 0.000) 1.228 26.962 ( 0.000 -3.133 0.000) 3.133 27.025 ( 0.000 -8.964 -0.000) 8.964 27.194 ( 0.000 -3.490 0.000) 3.490 27.201 ( -0.000 -8.595 -0.000) 8.595 27.379 ( 0.000 -4.202 0.000) 4.202 27.420 ( 0.000 -2.980 0.000) 2.980 27.502 ( 0.000 -5.517 0.000) 5.517 27.650 ( 0.000 -4.463 0.000) 4.463 28.992 ( 0.000 14.375 0.000) 14.375 29.148 ( 0.000 14.057 0.000) 14.057 29.277 ( 0.000 11.981 0.000) 11.981 29.475 ( 0.000 11.542 0.000) 11.542 29.978 ( 0.000 -13.923 0.000) 13.923 30.168 ( 0.000 -16.193 0.000) 16.193 30.303 ( 0.000 -18.432 0.000) 18.432 30.439 ( 0.000 -15.913 0.000) 15.913 ======================= Grid point 15 (10/50) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 0.000 14.822 0.000) 14.822 2.012 ( 0.000 11.841 0.000) 11.841 2.108 ( 0.000 16.753 0.000) 16.753 2.151 ( 0.000 7.119 0.000) 7.119 2.341 ( 0.000 -1.713 0.000) 1.713 2.411 ( 0.000 17.880 0.000) 17.880 2.504 ( 0.000 8.572 0.000) 8.572 2.508 ( 0.000 -9.900 0.000) 9.900 2.581 ( 0.000 0.136 0.000) 0.136 2.753 ( 0.000 2.003 0.000) 2.003 2.970 ( 0.000 -6.688 0.000) 6.688 3.035 ( 0.000 5.941 0.000) 5.941 3.114 ( 0.000 -9.106 0.000) 9.106 3.176 ( 0.000 -8.798 0.000) 8.798 3.343 ( 0.000 -2.700 0.000) 2.700 3.347 ( 0.000 -1.375 0.000) 1.375 3.371 ( 0.000 -4.529 0.000) 4.529 3.442 ( 0.000 -1.730 0.000) 1.730 3.488 ( 0.000 -7.508 0.000) 7.508 3.536 ( 0.000 4.365 0.000) 4.365 3.609 ( 0.000 -2.413 0.000) 2.413 3.633 ( 0.000 -0.803 0.000) 0.803 3.651 ( 0.000 -9.481 0.000) 9.481 3.701 ( 0.000 -5.967 0.000) 5.967 3.701 ( 0.000 3.245 0.000) 3.245 3.813 ( 0.000 -3.613 0.000) 3.613 3.852 ( 0.000 -4.807 0.000) 4.807 3.871 ( 0.000 -0.825 0.000) 0.825 3.942 ( 0.000 0.682 0.000) 0.682 4.061 ( 0.000 3.266 0.000) 3.266 4.101 ( 0.000 4.497 0.000) 4.497 4.153 ( 0.000 3.067 0.000) 3.067 4.213 ( 0.000 1.883 0.000) 1.883 4.237 ( 0.000 -1.699 0.000) 1.699 4.270 ( 0.000 6.603 0.000) 6.603 4.284 ( 0.000 -3.429 0.000) 3.429 4.404 ( 0.000 -0.518 0.000) 0.518 4.426 ( 0.000 3.057 0.000) 3.057 4.435 ( 0.000 4.755 0.000) 4.755 4.465 ( 0.000 4.169 0.000) 4.169 4.471 ( 0.000 -1.260 0.000) 1.260 4.528 ( 0.000 0.457 0.000) 0.457 4.561 ( 0.000 -4.834 0.000) 4.834 4.619 ( 0.000 -0.781 0.000) 0.781 4.664 ( 0.000 3.041 0.000) 3.041 4.722 ( 0.000 1.506 0.000) 1.506 4.795 ( 0.000 4.093 0.000) 4.093 4.808 ( 0.000 1.119 0.000) 1.119 4.886 ( 0.000 -0.743 0.000) 0.743 4.888 ( 0.000 6.988 0.000) 6.988 4.947 ( 0.000 5.566 0.000) 5.566 5.045 ( 0.000 9.095 0.000) 9.095 5.054 ( 0.000 2.661 0.000) 2.661 5.124 ( 0.000 3.884 0.000) 3.884 5.168 ( 0.000 1.071 0.000) 1.071 5.214 ( 0.000 8.305 0.000) 8.305 5.292 ( 0.000 0.312 0.000) 0.312 5.329 ( 0.000 0.910 0.000) 0.910 5.417 ( 0.000 -1.360 0.000) 1.360 5.497 ( 0.000 6.917 0.000) 6.917 5.621 ( 0.000 -1.028 0.000) 1.028 5.650 ( 0.000 6.595 0.000) 6.595 5.731 ( 0.000 -4.099 0.000) 4.099 5.743 ( 0.000 4.438 0.000) 4.438 5.778 ( 0.000 0.891 0.000) 0.891 5.780 ( 0.000 2.779 0.000) 2.779 5.830 ( 0.000 5.429 0.000) 5.429 5.854 ( 0.000 1.535 0.000) 1.535 5.882 ( 0.000 2.770 0.000) 2.770 5.985 ( 0.000 -0.921 0.000) 0.921 6.021 ( 0.000 -0.325 0.000) 0.325 6.075 ( 0.000 2.037 0.000) 2.037 6.113 ( 0.000 4.616 0.000) 4.616 6.120 ( 0.000 -1.640 0.000) 1.640 6.143 ( 0.000 5.281 0.000) 5.281 6.211 ( 0.000 4.664 0.000) 4.664 6.232 ( 0.000 3.225 0.000) 3.225 6.315 ( 0.000 6.330 0.000) 6.330 6.330 ( 0.000 4.041 0.000) 4.041 6.422 ( 0.000 2.599 0.000) 2.599 6.441 ( 0.000 1.529 0.000) 1.529 6.496 ( 0.000 -0.127 0.000) 0.127 6.557 ( 0.000 1.416 0.000) 1.416 6.621 ( 0.000 -0.433 0.000) 0.433 6.672 ( 0.000 1.624 0.000) 1.624 6.679 ( 0.000 -4.133 0.000) 4.133 6.761 ( 0.000 5.064 0.000) 5.064 6.837 ( 0.000 -7.829 0.000) 7.829 6.848 ( 0.000 6.022 0.000) 6.022 6.870 ( 0.000 1.789 0.000) 1.789 7.050 ( 0.000 4.090 0.000) 4.090 7.102 ( 0.000 3.101 0.000) 3.101 7.157 ( 0.000 6.539 0.000) 6.539 7.214 ( 0.000 -1.839 0.000) 1.839 7.311 ( 0.000 0.553 0.000) 0.553 7.338 ( 0.000 -3.372 0.000) 3.372 7.425 ( 0.000 -0.809 0.000) 0.809 7.451 ( 0.000 1.325 0.000) 1.325 7.494 ( 0.000 4.361 0.000) 4.361 7.527 ( 0.000 2.462 0.000) 2.462 7.600 ( 0.000 -1.904 0.000) 1.904 7.649 ( 0.000 -5.942 0.000) 5.942 7.664 ( 0.000 11.327 0.000) 11.327 7.793 ( 0.000 -1.789 0.000) 1.789 7.854 ( 0.000 -2.569 0.000) 2.569 7.968 ( 0.000 6.488 0.000) 6.488 8.045 ( 0.000 2.126 0.000) 2.126 8.146 ( 0.000 5.909 0.000) 5.909 8.154 ( 0.000 0.298 0.000) 0.298 8.196 ( 0.000 3.152 0.000) 3.152 8.245 ( 0.000 1.810 0.000) 1.810 8.248 ( 0.000 -1.637 0.000) 1.637 8.658 ( 0.000 -11.800 0.000) 11.800 8.705 ( 0.000 -15.053 0.000) 15.053 8.880 ( 0.000 -11.937 0.000) 11.937 8.888 ( 0.000 -6.039 0.000) 6.039 9.006 ( 0.000 -0.731 0.000) 0.731 9.011 ( 0.000 1.218 0.000) 1.218 9.153 ( 0.000 0.168 0.000) 0.168 9.194 ( 0.000 5.643 0.000) 5.643 9.274 ( 0.000 -8.527 0.000) 8.527 9.279 ( 0.000 -3.468 0.000) 3.468 9.364 ( 0.000 -2.022 0.000) 2.022 9.394 ( 0.000 14.260 0.000) 14.260 9.545 ( 0.000 -10.819 0.000) 10.819 9.683 ( 0.000 -14.167 0.000) 14.167 9.708 ( 0.000 -9.485 0.000) 9.485 9.767 ( 0.000 4.365 0.000) 4.365 9.871 ( 0.000 -4.639 0.000) 4.639 9.906 ( 0.000 8.156 0.000) 8.156 10.020 ( 0.000 -7.595 0.000) 7.595 10.081 ( 0.000 5.934 0.000) 5.934 10.198 ( 0.000 3.660 0.000) 3.660 10.386 ( 0.000 -4.743 0.000) 4.743 10.542 ( 0.000 -4.601 0.000) 4.601 10.617 ( 0.000 -10.307 0.000) 10.307 10.897 ( 0.000 -1.212 0.000) 1.212 11.001 ( 0.000 -2.724 0.000) 2.724 11.037 ( 0.000 7.351 0.000) 7.351 11.087 ( 0.000 -2.763 0.000) 2.763 11.133 ( 0.000 4.189 0.000) 4.189 11.154 ( 0.000 -2.871 0.000) 2.871 11.274 ( 0.000 -0.013 0.000) 0.013 11.308 ( 0.000 2.563 0.000) 2.563 11.373 ( 0.000 -4.107 0.000) 4.107 11.432 ( 0.000 2.689 0.000) 2.689 11.722 ( 0.000 8.541 0.000) 8.541 11.859 ( 0.000 -6.707 0.000) 6.707 11.916 ( 0.000 -11.661 0.000) 11.661 11.971 ( 0.000 5.674 0.000) 5.674 12.087 ( 0.000 -5.601 0.000) 5.601 12.648 ( 0.000 -8.562 0.000) 8.562 14.642 ( 0.000 2.967 0.000) 2.967 14.729 ( 0.000 -0.216 0.000) 0.216 14.823 ( 0.000 -0.354 0.000) 0.354 14.830 ( 0.000 2.890 0.000) 2.890 14.916 ( 0.000 1.534 0.000) 1.534 15.025 ( 0.000 2.142 0.000) 2.142 15.164 ( 0.000 7.518 0.000) 7.518 15.310 ( 0.000 2.045 0.000) 2.045 15.328 ( 0.000 6.113 0.000) 6.113 15.370 ( 0.000 5.349 0.000) 5.349 15.404 ( 0.000 1.773 0.000) 1.773 15.496 ( 0.000 3.766 0.000) 3.766 15.556 ( 0.000 0.251 0.000) 0.251 15.562 ( 0.000 1.015 0.000) 1.015 15.603 ( 0.000 4.288 0.000) 4.288 15.691 ( 0.000 0.936 0.000) 0.936 15.813 ( 0.000 -2.047 0.000) 2.047 15.867 ( 0.000 -1.734 0.000) 1.734 16.046 ( 0.000 -1.961 0.000) 1.961 16.067 ( 0.000 -3.485 0.000) 3.485 16.166 ( 0.000 -2.127 0.000) 2.127 16.237 ( 0.000 -0.472 0.000) 0.472 16.256 ( 0.000 -1.317 0.000) 1.317 16.323 ( 0.000 -0.402 0.000) 0.402 18.265 ( 0.000 43.454 0.000) 43.454 18.310 ( 0.000 40.398 0.000) 40.398 18.385 ( 0.000 41.950 0.000) 41.950 19.576 ( 0.000 8.190 0.000) 8.190 20.215 ( 0.000 -17.961 0.000) 17.961 20.347 ( 0.000 -18.354 0.000) 18.354 20.512 ( 0.000 -33.419 0.000) 33.419 20.621 ( 0.000 -33.694 0.000) 33.694 25.419 ( 0.000 2.844 0.000) 2.844 25.509 ( 0.000 2.538 0.000) 2.538 25.647 ( 0.000 5.289 0.000) 5.289 25.739 ( 0.000 4.086 0.000) 4.086 25.743 ( 0.000 2.707 0.000) 2.707 25.762 ( 0.000 4.501 0.000) 4.501 26.018 ( 0.000 6.277 0.000) 6.277 26.217 ( 0.000 -0.007 0.000) 0.007 26.339 ( 0.000 -0.110 0.000) 0.110 26.357 ( 0.000 -1.190 0.000) 1.190 26.466 ( 0.000 0.405 0.000) 0.405 26.583 ( 0.000 -1.233 0.000) 1.233 26.595 ( 0.000 0.635 0.000) 0.635 26.599 ( 0.000 0.372 0.000) 0.372 26.733 ( 0.000 -3.428 0.000) 3.428 26.810 ( 0.000 -2.731 0.000) 2.731 26.869 ( 0.000 -0.161 0.000) 0.161 26.959 ( 0.000 -0.107 0.000) 0.107 27.058 ( 0.000 -0.999 0.000) 0.999 27.171 ( 0.000 -3.544 0.000) 3.544 27.327 ( 0.000 -4.162 0.000) 4.162 27.340 ( 0.000 -3.454 0.000) 3.454 27.402 ( 0.000 -4.317 0.000) 4.317 27.490 ( 0.000 -7.929 0.000) 7.929 29.252 ( 0.000 9.177 0.000) 9.177 29.391 ( 0.000 7.630 0.000) 7.630 29.393 ( 0.000 -0.081 0.000) 0.081 29.685 ( 0.000 8.815 0.000) 8.815 29.786 ( 0.000 -11.582 0.000) 11.582 29.813 ( 0.000 8.016 0.000) 8.016 30.130 ( 0.000 -12.271 0.000) 12.271 30.270 ( 0.000 -11.964 0.000) 11.964 ======================= Grid point 16 (11/50) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -1.700 10.513 -5.214) 11.858 1.969 ( -6.370 5.816 -2.818) 9.074 2.070 ( 4.009 8.045 -3.496) 9.645 2.178 ( -0.078 4.777 4.895) 6.840 2.342 ( 1.836 5.252 -0.125) 5.565 2.426 ( -3.175 5.602 -3.941) 7.549 2.482 ( 3.239 1.784 -6.292) 7.298 2.599 ( -0.600 9.302 -0.392) 9.330 2.640 ( 4.039 3.478 7.987) 9.602 2.712 ( 1.976 -3.583 0.490) 4.121 2.951 ( -3.772 -0.336 -3.428) 5.108 2.974 ( -1.367 -3.842 5.472) 6.824 3.019 ( -7.300 -0.657 -1.241) 7.434 3.169 ( -2.325 -3.446 -1.579) 4.447 3.255 ( -1.782 -1.197 -6.798) 7.129 3.293 ( -5.514 0.373 -4.577) 7.176 3.325 ( -3.747 -4.359 0.686) 5.789 3.401 ( -3.584 -2.751 -1.167) 4.667 3.496 ( -0.687 -2.246 3.135) 3.918 3.504 ( -1.074 2.029 -3.561) 4.236 3.551 ( -4.317 0.873 -1.620) 4.693 3.605 ( -1.081 -4.176 -0.139) 4.316 3.687 ( -3.167 1.565 -0.818) 3.626 3.694 ( 0.336 -4.113 -0.802) 4.204 3.713 ( 1.320 -7.603 2.342) 8.065 3.768 ( -2.409 -3.002 0.488) 3.879 3.812 ( -0.697 -2.685 -4.803) 5.546 3.892 ( 2.878 -6.529 0.211) 7.138 3.983 ( -0.698 -2.345 6.453) 6.901 4.079 ( 1.863 4.422 -2.479) 5.401 4.090 ( -0.167 -1.459 -3.112) 3.441 4.141 ( -3.785 -1.575 8.487) 9.425 4.224 ( -1.922 -3.624 -1.088) 4.244 4.259 ( 4.833 0.364 0.657) 4.891 4.299 ( -0.504 2.148 2.715) 3.498 4.319 ( 1.807 1.437 -0.999) 2.515 4.374 ( 2.339 3.799 0.849) 4.541 4.386 ( 0.569 6.046 1.595) 6.278 4.454 ( 3.064 1.873 -1.908) 4.066 4.503 ( 5.244 2.303 1.672) 5.966 4.520 ( -0.357 3.130 -4.565) 5.547 4.536 ( 3.196 1.172 -2.588) 4.276 4.593 ( 1.979 -0.030 6.550) 6.843 4.623 ( -0.927 1.989 2.332) 3.202 4.656 ( 0.244 -0.138 -2.077) 2.096 4.734 ( -1.223 0.403 -4.343) 4.530 4.771 ( -2.795 2.072 -1.924) 3.976 4.797 ( 0.670 3.943 3.065) 5.039 4.842 ( 0.777 3.824 2.750) 4.774 4.911 ( -2.505 3.984 -1.896) 5.074 5.014 ( 3.295 3.889 1.470) 5.305 5.073 ( 2.601 3.485 6.760) 8.038 5.107 ( 0.378 2.919 -1.186) 3.173 5.179 ( 1.649 3.852 3.454) 5.431 5.206 ( 3.796 8.714 2.160) 9.747 5.292 ( 5.060 2.171 1.779) 5.786 5.301 ( 1.148 4.234 -2.503) 5.051 5.380 ( 3.772 4.993 2.711) 6.819 5.387 ( 0.583 3.080 -0.942) 3.273 5.475 ( 3.104 3.647 -2.474) 5.391 5.555 ( -4.307 0.741 1.287) 4.556 5.649 ( -4.122 -2.552 -8.290) 9.604 5.703 ( 1.020 2.878 -0.336) 3.072 5.754 ( -0.867 5.129 0.517) 5.227 5.777 ( -4.116 -1.582 1.768) 4.751 5.795 ( 1.510 2.643 -0.079) 3.045 5.838 ( -2.980 4.717 -2.535) 6.128 5.860 ( -2.219 3.677 1.382) 4.512 5.902 ( 0.944 6.018 -2.619) 6.631 5.967 ( -0.957 -1.205 0.905) 1.785 5.995 ( -0.134 -0.209 2.580) 2.592 6.061 ( -3.465 0.207 4.035) 5.323 6.152 ( 3.709 2.070 3.698) 5.632 6.173 ( 5.867 6.964 2.779) 9.520 6.180 ( 2.574 1.373 -4.742) 5.567 6.216 ( -0.604 2.603 -6.658) 7.174 6.265 ( 2.994 3.902 -1.518) 5.147 6.269 ( 6.512 -2.365 5.751) 9.004 6.344 ( -2.827 6.446 -1.073) 7.120 6.441 ( 2.234 3.427 7.154) 8.241 6.488 ( -0.603 3.499 4.519) 5.747 6.560 ( 3.026 2.683 2.448) 4.728 6.588 ( -0.047 -1.483 0.512) 1.569 6.625 ( 4.554 1.592 0.224) 4.830 6.663 ( -1.071 2.364 -0.758) 2.703 6.718 ( 4.005 -1.231 1.190) 4.355 6.751 ( -3.257 2.779 1.428) 4.514 6.808 ( -0.301 -0.355 1.626) 1.691 6.824 ( -1.808 -1.391 1.706) 2.849 6.930 ( 2.789 2.795 0.874) 4.044 7.022 ( -3.746 3.626 -6.342) 8.210 7.065 ( -2.472 3.703 -1.854) 4.822 7.104 ( -1.881 4.283 -5.329) 7.091 7.169 ( 0.500 2.031 -0.740) 2.219 7.251 ( -4.997 -2.619 -2.132) 6.031 7.283 ( -4.619 0.498 3.342) 5.723 7.403 ( -5.912 -4.651 -3.006) 8.101 7.415 ( -0.650 -2.309 1.333) 2.744 7.480 ( 2.700 0.845 -4.554) 5.361 7.553 ( 8.822 -0.564 -3.035) 9.347 7.588 ( -0.510 -8.995 -3.062) 9.515 7.679 ( 3.154 7.946 0.441) 8.560 7.723 ( -2.418 10.043 -1.335) 10.416 7.757 ( -6.879 -0.989 4.141) 8.090 7.920 ( 7.203 0.474 -0.368) 7.228 7.967 ( 1.194 5.324 0.253) 5.462 8.010 ( -5.439 -2.210 2.633) 6.434 8.080 ( 0.489 5.024 -3.071) 5.909 8.149 ( -3.270 7.416 2.545) 8.495 8.210 ( -0.362 5.629 1.704) 5.892 8.299 ( 3.375 -2.501 3.097) 5.219 8.360 ( 6.112 -1.685 4.628) 7.850 8.651 ( -0.135 -9.966 -1.501) 10.079 8.677 ( 1.642 -13.507 -4.728) 14.404 8.804 ( -5.561 -11.429 -0.854) 12.739 8.893 ( -2.643 -2.926 -3.129) 5.034 8.951 ( -3.247 -1.270 0.308) 3.500 8.987 ( -3.025 -0.514 0.714) 3.150 9.120 ( -4.357 4.215 -3.974) 7.249 9.207 ( 3.951 0.701 0.660) 4.067 9.218 ( -2.900 -6.275 0.948) 6.977 9.343 ( 2.740 5.850 1.150) 6.562 9.391 ( 5.029 -3.522 1.906) 6.428 9.469 ( 3.183 -4.401 1.136) 5.549 9.556 ( -0.067 -3.730 4.431) 5.793 9.637 ( -2.847 -6.241 -1.932) 7.127 9.713 ( 0.135 -10.017 0.061) 10.018 9.786 ( -3.787 -3.357 -1.504) 5.279 9.846 ( -0.205 2.297 3.376) 4.088 9.892 ( 2.994 -1.534 -1.492) 3.680 9.995 ( -0.287 -3.083 -3.689) 4.816 10.062 ( -1.602 2.652 -3.135) 4.408 10.293 ( 8.308 -4.344 -0.012) 9.375 10.409 ( 1.963 -2.356 -1.939) 3.628 10.551 ( -2.132 -5.708 6.729) 9.078 10.675 ( 4.786 -9.271 1.855) 10.597 10.882 ( -2.525 -2.347 0.805) 3.540 10.935 ( -3.591 1.250 0.541) 3.840 11.044 ( 1.128 3.995 -3.989) 5.757 11.083 ( -1.524 -1.121 0.409) 1.935 11.105 ( -3.032 -0.527 3.962) 5.017 11.175 ( -1.854 -0.538 -4.196) 4.619 11.236 ( -2.378 1.331 0.677) 2.808 11.282 ( 1.807 -0.254 -4.439) 4.800 11.364 ( -1.570 1.368 7.503) 7.787 11.435 ( 3.489 1.420 -6.782) 7.758 11.782 ( 2.761 4.091 5.119) 7.111 11.892 ( 0.459 0.036 0.644) 0.792 11.921 ( 2.280 -5.612 -0.087) 6.058 12.025 ( 1.390 -7.486 0.951) 7.673 12.138 ( 6.413 -2.693 1.949) 7.224 12.553 ( -7.676 -8.044 -3.770) 11.740 14.651 ( 1.620 5.119 0.680) 5.412 14.741 ( 0.272 0.853 1.552) 1.792 14.824 ( 1.710 2.305 -0.696) 2.953 14.878 ( 3.245 1.923 -0.143) 3.775 14.960 ( 2.454 1.936 1.862) 3.639 15.019 ( -0.451 3.217 -2.021) 3.826 15.044 ( -7.815 6.574 -3.597) 10.828 15.240 ( -2.107 0.303 -2.436) 3.235 15.258 ( -6.381 4.058 -3.086) 8.168 15.340 ( -2.278 2.934 2.569) 4.516 15.401 ( -3.469 0.563 1.116) 3.687 15.458 ( 0.833 3.060 -0.167) 3.176 15.554 ( -3.290 -1.438 -0.430) 3.616 15.606 ( 3.024 2.925 0.735) 4.271 15.660 ( 3.547 5.066 -1.039) 6.271 15.685 ( 1.252 0.366 -1.140) 1.732 15.776 ( -2.226 -0.824 -0.612) 2.451 15.845 ( -1.091 -0.465 -2.713) 2.961 16.052 ( -1.411 -1.327 3.739) 4.211 16.078 ( 1.407 -3.598 -1.212) 4.049 16.137 ( -2.082 -1.412 2.414) 3.486 16.187 ( -0.208 0.580 -2.637) 2.708 16.351 ( 6.095 -1.163 -1.114) 6.304 16.388 ( 1.540 -1.317 4.794) 5.205 18.292 ( -0.124 42.036 2.260) 42.097 18.379 ( 1.553 42.009 -0.392) 42.040 18.425 ( 9.573 38.957 4.670) 40.387 19.290 ( -19.626 19.139 -11.628) 29.777 20.249 ( 0.474 -21.223 3.114) 21.455 20.373 ( 2.348 -19.115 -1.318) 19.304 20.495 ( -1.583 -32.899 0.112) 32.937 20.609 ( -0.388 -33.390 -1.042) 33.408 25.407 ( -1.483 2.738 0.944) 3.254 25.462 ( -2.658 2.692 -2.444) 4.504 25.605 ( 0.401 4.253 -3.418) 5.471 25.652 ( -1.651 2.315 -3.463) 4.480 25.816 ( 0.622 5.834 4.551) 7.425 25.882 ( 3.980 4.357 6.698) 8.926 25.981 ( -1.382 7.605 -1.929) 7.967 26.201 ( -2.374 2.083 -0.804) 3.259 26.327 ( 0.025 -0.479 -0.576) 0.750 26.366 ( -0.008 -1.061 0.107) 1.066 26.541 ( 4.762 -1.457 1.145) 5.110 26.574 ( 0.747 -0.048 0.438) 0.867 26.600 ( 2.126 -1.361 -1.900) 3.159 26.642 ( 3.397 -0.146 1.967) 3.928 26.781 ( 2.172 -3.884 4.335) 6.213 26.871 ( -0.298 -0.812 2.153) 2.321 26.908 ( 5.434 -3.256 2.319) 6.746 26.934 ( -0.160 -0.232 -1.894) 1.915 27.025 ( -2.770 -0.637 -2.010) 3.482 27.173 ( -0.631 -4.274 0.429) 4.341 27.304 ( 0.095 -2.899 -1.659) 3.341 27.366 ( -0.292 -3.827 2.245) 4.447 27.379 ( -0.061 -5.282 -2.778) 5.968 27.515 ( 1.340 -7.115 0.754) 7.279 29.242 ( -1.156 9.220 0.782) 9.325 29.372 ( -3.042 5.798 2.755) 7.104 29.448 ( 3.681 4.559 -0.739) 5.906 29.683 ( -1.713 4.146 2.899) 5.341 29.787 ( -0.009 -7.287 -0.807) 7.332 29.811 ( 4.637 2.703 -3.711) 6.526 30.099 ( -3.192 -11.149 -0.698) 11.618 30.219 ( -3.843 -11.829 -1.883) 12.579 ======================= Grid point 17 (12/50) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 0.000 10.689 0.000) 10.689 1.946 ( 0.000 4.159 0.000) 4.159 1.960 ( -0.000 -2.364 -0.000) 2.364 2.254 ( 0.000 -9.692 0.000) 9.692 2.372 ( 0.000 -2.397 -0.000) 2.397 2.402 ( -0.000 3.870 0.000) 3.870 2.504 ( 0.000 10.793 0.000) 10.793 2.515 ( -0.000 10.828 -0.000) 10.828 2.739 ( 0.000 8.181 -0.000) 8.181 2.753 ( -0.000 1.349 0.000) 1.349 2.899 ( 0.000 9.751 0.000) 9.751 2.902 ( -0.000 -3.161 -0.000) 3.161 3.005 ( 0.000 -0.741 0.000) 0.741 3.099 ( 0.000 -2.290 0.000) 2.290 3.187 ( 0.000 0.975 -0.000) 0.975 3.207 ( -0.000 -2.721 0.000) 2.721 3.305 ( 0.000 -3.136 0.000) 3.136 3.376 ( -0.000 0.030 0.000) 0.030 3.473 ( 0.000 0.773 0.000) 0.773 3.498 ( 0.000 4.449 -0.000) 4.449 3.500 ( -0.000 1.131 0.000) 1.131 3.580 ( -0.000 -11.874 0.000) 11.874 3.609 ( 0.000 -0.828 0.000) 0.828 3.682 ( -0.000 -0.441 -0.000) 0.441 3.724 ( 0.000 -8.226 0.000) 8.226 3.777 ( 0.000 -4.460 -0.000) 4.460 3.798 ( 0.000 0.316 0.000) 0.316 3.926 ( -0.000 -3.044 0.000) 3.044 4.000 ( 0.000 -3.740 -0.000) 3.740 4.063 ( 0.000 -5.221 0.000) 5.221 4.119 ( -0.000 -2.167 0.000) 2.167 4.155 ( 0.000 -7.022 0.000) 7.022 4.171 ( 0.000 -2.777 -0.000) 2.777 4.250 ( 0.000 1.418 0.000) 1.418 4.293 ( 0.000 2.392 0.000) 2.392 4.337 ( 0.000 1.847 -0.000) 1.847 4.400 ( 0.000 5.857 0.000) 5.857 4.462 ( -0.000 -0.154 0.000) 0.154 4.468 ( 0.000 1.969 -0.000) 1.969 4.533 ( 0.000 -2.974 0.000) 2.974 4.588 ( 0.000 4.657 -0.000) 4.657 4.610 ( 0.000 3.504 -0.000) 3.504 4.626 ( 0.000 5.359 0.000) 5.359 4.652 ( -0.000 2.248 -0.000) 2.248 4.680 ( 0.000 1.154 0.000) 1.154 4.712 ( 0.000 1.434 0.000) 1.434 4.753 ( -0.000 2.806 -0.000) 2.806 4.791 ( 0.000 0.909 0.000) 0.909 4.818 ( 0.000 4.117 0.000) 4.117 4.876 ( 0.000 4.639 0.000) 4.639 5.024 ( 0.000 5.275 -0.000) 5.275 5.049 ( 0.000 5.015 0.000) 5.015 5.157 ( 0.000 5.503 -0.000) 5.503 5.223 ( 0.000 3.319 0.000) 3.319 5.285 ( 0.000 6.809 0.000) 6.809 5.314 ( -0.000 5.871 -0.000) 5.871 5.351 ( 0.000 3.229 -0.000) 3.229 5.367 ( 0.000 5.714 0.000) 5.714 5.421 ( 0.000 4.053 0.000) 4.053 5.512 ( 0.000 -5.879 0.000) 5.879 5.582 ( 0.000 5.876 0.000) 5.876 5.589 ( 0.000 1.426 0.000) 1.426 5.653 ( -0.000 8.681 -0.000) 8.681 5.692 ( -0.000 8.770 0.000) 8.770 5.729 ( 0.000 0.673 -0.000) 0.673 5.744 ( 0.000 2.040 0.000) 2.040 5.828 ( 0.000 4.030 -0.000) 4.030 5.833 ( -0.000 1.427 0.000) 1.427 5.904 ( 0.000 4.505 -0.000) 4.505 5.943 ( -0.000 -0.352 0.000) 0.352 6.056 ( 0.000 -3.012 -0.000) 3.012 6.078 ( -0.000 3.298 -0.000) 3.298 6.122 ( 0.000 3.828 0.000) 3.828 6.163 ( 0.000 -1.828 0.000) 1.828 6.211 ( 0.000 4.305 0.000) 4.305 6.278 ( 0.000 1.768 0.000) 1.768 6.327 ( 0.000 1.093 -0.000) 1.093 6.338 ( 0.000 2.371 0.000) 2.371 6.424 ( 0.000 3.093 -0.000) 3.093 6.468 ( -0.000 1.378 0.000) 1.378 6.528 ( 0.000 10.013 0.000) 10.013 6.531 ( -0.000 1.262 0.000) 1.262 6.564 ( 0.000 -0.612 0.000) 0.612 6.659 ( -0.000 -3.064 0.000) 3.064 6.719 ( -0.000 -5.132 -0.000) 5.132 6.747 ( 0.000 2.068 0.000) 2.068 6.796 ( -0.000 2.630 -0.000) 2.630 6.816 ( -0.000 7.043 0.000) 7.043 6.855 ( 0.000 0.180 -0.000) 0.180 6.895 ( 0.000 0.741 0.000) 0.741 6.970 ( 0.000 -0.935 0.000) 0.935 6.994 ( -0.000 8.523 -0.000) 8.523 7.056 ( 0.000 6.624 0.000) 6.624 7.149 ( 0.000 -11.840 -0.000) 11.840 7.255 ( 0.000 1.697 0.000) 1.697 7.276 ( 0.000 2.770 0.000) 2.770 7.290 ( -0.000 3.276 -0.000) 3.276 7.353 ( -0.000 -3.573 -0.000) 3.573 7.524 ( 0.000 -1.191 0.000) 1.191 7.577 ( 0.000 -7.213 0.000) 7.213 7.608 ( -0.000 0.909 -0.000) 0.909 7.666 ( 0.000 -2.213 0.000) 2.213 7.693 ( 0.000 3.005 -0.000) 3.005 7.731 ( -0.000 5.188 0.000) 5.188 7.889 ( 0.000 -0.265 0.000) 0.265 7.957 ( 0.000 -1.055 -0.000) 1.055 8.045 ( 0.000 9.215 0.000) 9.215 8.088 ( 0.000 6.777 -0.000) 6.777 8.171 ( 0.000 4.943 0.000) 4.943 8.195 ( -0.000 5.527 -0.000) 5.527 8.378 ( 0.000 -1.906 0.000) 1.906 8.452 ( 0.000 4.931 0.000) 4.931 8.643 ( 0.000 -11.091 -0.000) 11.091 8.685 ( -0.000 -7.397 0.000) 7.397 8.693 ( 0.000 -15.453 0.000) 15.453 8.826 ( 0.000 -4.904 -0.000) 4.904 8.941 ( -0.000 -4.253 0.000) 4.253 8.956 ( 0.000 3.054 0.000) 3.054 9.036 ( 0.000 1.924 -0.000) 1.924 9.128 ( 0.000 -2.916 0.000) 2.916 9.361 ( 0.000 -4.047 0.000) 4.047 9.405 ( -0.000 3.045 -0.000) 3.045 9.429 ( 0.000 0.434 0.000) 0.434 9.457 ( 0.000 -4.216 0.000) 4.216 9.572 ( 0.000 -2.454 0.000) 2.454 9.619 ( 0.000 -6.903 -0.000) 6.903 9.713 ( -0.000 -0.148 0.000) 0.148 9.762 ( 0.000 0.965 -0.000) 0.965 9.852 ( 0.000 -8.662 0.000) 8.662 9.920 ( 0.000 -11.039 0.000) 11.039 9.972 ( 0.000 -1.402 0.000) 1.402 10.007 ( -0.000 0.796 0.000) 0.796 10.388 ( 0.000 -3.606 0.000) 3.606 10.397 ( -0.000 -1.270 -0.000) 1.270 10.610 ( 0.000 -10.636 0.000) 10.636 10.716 ( 0.000 -7.054 -0.000) 7.054 10.904 ( 0.000 -1.191 0.000) 1.191 10.916 ( -0.000 0.473 -0.000) 0.473 10.983 ( 0.000 3.426 0.000) 3.426 11.014 ( 0.000 0.312 0.000) 0.312 11.104 ( 0.000 -0.832 0.000) 0.832 11.128 ( 0.000 -0.581 -0.000) 0.581 11.249 ( 0.000 0.574 0.000) 0.574 11.277 ( 0.000 -0.329 0.000) 0.329 11.407 ( -0.000 2.372 0.000) 2.372 11.421 ( 0.000 -1.131 -0.000) 1.131 11.861 ( -0.000 7.078 -0.000) 7.078 11.876 ( 0.000 2.941 0.000) 2.941 11.978 ( 0.000 -9.460 0.000) 9.460 12.010 ( 0.000 -8.730 -0.000) 8.730 12.310 ( 0.000 -3.683 0.000) 3.683 12.362 ( -0.000 -6.516 -0.000) 6.516 14.716 ( -0.000 6.686 -0.000) 6.686 14.732 ( 0.000 4.047 0.000) 4.047 14.856 ( 0.000 6.422 0.000) 6.422 14.888 ( 0.000 2.643 -0.000) 2.643 14.921 ( 0.000 3.063 0.000) 3.063 14.989 ( 0.000 2.286 0.000) 2.286 15.018 ( 0.000 2.923 0.000) 2.923 15.148 ( 0.000 1.552 -0.000) 1.552 15.244 ( 0.000 0.656 -0.000) 0.656 15.314 ( 0.000 -0.594 0.000) 0.594 15.369 ( 0.000 -1.332 0.000) 1.332 15.462 ( 0.000 3.103 0.000) 3.103 15.516 ( 0.000 -2.464 0.000) 2.464 15.643 ( 0.000 2.839 0.000) 2.839 15.656 ( 0.000 3.569 -0.000) 3.569 15.704 ( 0.000 1.115 0.000) 1.115 15.780 ( -0.000 2.405 -0.000) 2.405 15.791 ( 0.000 -0.390 0.000) 0.390 16.064 ( -0.000 -0.576 0.000) 0.576 16.084 ( 0.000 -3.502 -0.000) 3.502 16.136 ( -0.000 -1.208 0.000) 1.208 16.175 ( 0.000 1.549 0.000) 1.549 16.406 ( 0.000 -1.366 0.000) 1.366 16.429 ( 0.000 -1.479 0.000) 1.479 18.303 ( 0.000 41.252 0.000) 41.252 18.383 ( 0.000 41.712 -0.000) 41.712 18.716 ( -0.000 32.547 -0.000) 32.547 18.863 ( 0.000 32.503 0.000) 32.503 20.271 ( 0.000 -21.826 0.000) 21.826 20.385 ( 0.000 -20.790 -0.000) 20.790 20.477 ( 0.000 -32.307 0.000) 32.307 20.598 ( 0.000 -33.125 0.000) 33.125 25.401 ( 0.000 2.702 0.000) 2.702 25.413 ( 0.000 2.782 -0.000) 2.782 25.599 ( -0.000 3.741 0.000) 3.741 25.617 ( 0.000 1.640 -0.000) 1.640 25.837 ( 0.000 6.998 0.000) 6.998 25.957 ( 0.000 7.187 0.000) 7.187 25.983 ( 0.000 6.084 0.000) 6.084 26.146 ( 0.000 3.713 0.000) 3.713 26.325 ( 0.000 -0.659 0.000) 0.659 26.369 ( 0.000 -1.843 0.000) 1.843 26.561 ( 0.000 0.307 0.000) 0.307 26.614 ( 0.000 -0.709 0.000) 0.709 26.620 ( 0.000 -3.303 -0.000) 3.303 26.719 ( -0.000 -2.515 0.000) 2.515 26.839 ( 0.000 -5.247 0.000) 5.247 26.885 ( 0.000 1.355 -0.000) 1.355 26.915 ( 0.000 -0.047 -0.000) 0.047 26.928 ( 0.000 -1.311 0.000) 1.311 27.041 ( -0.000 -6.103 0.000) 6.103 27.144 ( 0.000 -2.127 0.000) 2.127 27.302 ( 0.000 -3.076 -0.000) 3.076 27.347 ( 0.000 -3.797 0.000) 3.797 27.384 ( 0.000 -5.140 -0.000) 5.140 27.533 ( 0.000 -6.633 0.000) 6.633 29.232 ( 0.000 8.746 0.000) 8.746 29.352 ( 0.000 5.228 0.000) 5.228 29.484 ( 0.000 8.175 0.000) 8.175 29.661 ( 0.000 6.397 -0.000) 6.397 29.780 ( 0.000 -5.031 -0.000) 5.031 29.916 ( 0.000 -8.290 0.000) 8.290 30.010 ( -0.000 -9.553 0.000) 9.553 30.161 ( 0.000 -10.849 0.000) 10.849 ======================= Grid point 20 (13/50) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 0.000 11.751 0.000) 11.751 2.193 ( 0.000 7.523 0.000) 7.523 2.286 ( 0.000 -1.086 0.000) 1.086 2.309 ( 0.000 1.019 0.000) 1.019 2.315 ( 0.000 1.254 0.000) 1.254 2.376 ( 0.000 -7.769 0.000) 7.769 2.514 ( 0.000 12.641 0.000) 12.641 2.716 ( 0.000 7.817 0.000) 7.817 2.748 ( 0.000 -1.267 0.000) 1.267 2.773 ( 0.000 1.265 0.000) 1.265 2.814 ( 0.000 -8.572 0.000) 8.572 2.951 ( 0.000 2.779 0.000) 2.779 2.965 ( 0.000 -9.100 0.000) 9.100 3.145 ( 0.000 9.193 0.000) 9.193 3.153 ( 0.000 -11.737 0.000) 11.737 3.267 ( 0.000 -2.803 0.000) 2.803 3.283 ( 0.000 -6.384 0.000) 6.384 3.408 ( 0.000 -11.709 0.000) 11.709 3.486 ( 0.000 5.759 0.000) 5.759 3.538 ( 0.000 5.477 0.000) 5.477 3.570 ( 0.000 0.214 0.000) 0.214 3.587 ( 0.000 0.197 0.000) 0.197 3.587 ( 0.000 -3.245 0.000) 3.245 3.616 ( 0.000 -2.236 0.000) 2.236 3.662 ( 0.000 -4.150 0.000) 4.150 3.691 ( 0.000 -6.304 0.000) 6.304 3.872 ( 0.000 3.746 0.000) 3.746 3.924 ( 0.000 6.180 0.000) 6.180 3.951 ( 0.000 -2.004 0.000) 2.004 4.030 ( 0.000 -3.196 0.000) 3.196 4.148 ( 0.000 -1.794 0.000) 1.794 4.171 ( 0.000 -3.223 0.000) 3.223 4.213 ( 0.000 3.863 0.000) 3.863 4.264 ( 0.000 0.502 0.000) 0.502 4.287 ( 0.000 2.625 0.000) 2.625 4.326 ( 0.000 1.053 0.000) 1.053 4.401 ( 0.000 -0.213 0.000) 0.213 4.434 ( 0.000 -1.790 0.000) 1.790 4.444 ( 0.000 -1.406 0.000) 1.406 4.474 ( 0.000 -0.701 0.000) 0.701 4.486 ( 0.000 0.091 0.000) 0.091 4.514 ( 0.000 -3.614 0.000) 3.614 4.539 ( 0.000 5.064 0.000) 5.064 4.623 ( 0.000 -1.968 0.000) 1.968 4.722 ( 0.000 2.472 0.000) 2.472 4.731 ( 0.000 0.958 0.000) 0.958 4.847 ( 0.000 1.623 0.000) 1.623 4.852 ( 0.000 1.445 0.000) 1.445 4.963 ( 0.000 6.951 0.000) 6.951 5.026 ( 0.000 4.389 0.000) 4.389 5.044 ( 0.000 5.613 0.000) 5.613 5.105 ( 0.000 1.643 0.000) 1.643 5.130 ( 0.000 -1.832 0.000) 1.832 5.138 ( 0.000 -2.508 0.000) 2.508 5.177 ( 0.000 1.513 0.000) 1.513 5.243 ( 0.000 -4.225 0.000) 4.225 5.315 ( 0.000 3.445 0.000) 3.445 5.416 ( 0.000 -1.893 0.000) 1.893 5.512 ( 0.000 -2.189 0.000) 2.189 5.558 ( 0.000 6.329 0.000) 6.329 5.597 ( 0.000 5.527 0.000) 5.527 5.688 ( 0.000 -2.683 0.000) 2.683 5.693 ( 0.000 0.647 0.000) 0.647 5.776 ( 0.000 -3.758 0.000) 3.758 5.795 ( 0.000 5.330 0.000) 5.330 5.825 ( 0.000 0.806 0.000) 0.806 5.886 ( 0.000 2.059 0.000) 2.059 5.916 ( 0.000 9.329 0.000) 9.329 5.947 ( 0.000 -0.212 0.000) 0.212 6.012 ( 0.000 2.319 0.000) 2.319 6.034 ( 0.000 -0.682 0.000) 0.682 6.119 ( 0.000 0.237 0.000) 0.237 6.141 ( 0.000 4.336 0.000) 4.336 6.147 ( 0.000 1.277 0.000) 1.277 6.238 ( 0.000 -0.346 0.000) 0.346 6.283 ( 0.000 0.191 0.000) 0.191 6.295 ( 0.000 1.202 0.000) 1.202 6.301 ( 0.000 -7.390 0.000) 7.390 6.385 ( 0.000 2.152 0.000) 2.152 6.407 ( 0.000 -2.015 0.000) 2.015 6.492 ( 0.000 1.750 0.000) 1.750 6.496 ( 0.000 -2.885 0.000) 2.885 6.541 ( 0.000 2.275 0.000) 2.275 6.583 ( 0.000 -1.602 0.000) 1.602 6.602 ( 0.000 -3.336 0.000) 3.336 6.660 ( 0.000 1.143 0.000) 1.143 6.729 ( 0.000 1.559 0.000) 1.559 6.821 ( 0.000 -0.647 0.000) 0.647 6.983 ( 0.000 4.865 0.000) 4.865 7.039 ( 0.000 10.506 0.000) 10.506 7.117 ( 0.000 -6.637 0.000) 6.637 7.145 ( 0.000 0.834 0.000) 0.834 7.196 ( 0.000 2.006 0.000) 2.006 7.209 ( 0.000 -4.493 0.000) 4.493 7.229 ( 0.000 4.262 0.000) 4.262 7.351 ( 0.000 -4.935 0.000) 4.935 7.419 ( 0.000 11.684 0.000) 11.684 7.524 ( 0.000 4.507 0.000) 4.507 7.530 ( 0.000 1.584 0.000) 1.584 7.622 ( 0.000 2.963 0.000) 2.963 7.644 ( 0.000 -4.256 0.000) 4.256 7.686 ( 0.000 9.843 0.000) 9.843 7.704 ( 0.000 -1.219 0.000) 1.219 7.820 ( 0.000 1.692 0.000) 1.692 7.905 ( 0.000 -3.923 0.000) 3.923 7.932 ( 0.000 -6.948 0.000) 6.948 8.034 ( 0.000 -1.643 0.000) 1.643 8.050 ( 0.000 -9.853 0.000) 9.853 8.174 ( 0.000 -0.200 0.000) 0.200 8.181 ( 0.000 0.129 0.000) 0.129 8.281 ( 0.000 4.692 0.000) 4.692 8.357 ( 0.000 1.687 0.000) 1.687 8.555 ( 0.000 7.829 0.000) 7.829 8.711 ( 0.000 5.744 0.000) 5.744 8.746 ( 0.000 -8.318 0.000) 8.318 8.758 ( 0.000 11.401 0.000) 11.401 8.930 ( 0.000 -6.517 0.000) 6.517 8.940 ( 0.000 1.091 0.000) 1.091 9.039 ( 0.000 -19.498 0.000) 19.498 9.188 ( 0.000 7.194 0.000) 7.194 9.222 ( 0.000 -15.776 0.000) 15.776 9.275 ( 0.000 4.563 0.000) 4.563 9.334 ( 0.000 -7.867 0.000) 7.867 9.347 ( 0.000 5.627 0.000) 5.627 9.391 ( 0.000 -8.450 0.000) 8.450 9.504 ( 0.000 -10.288 0.000) 10.288 9.649 ( 0.000 9.055 0.000) 9.055 9.769 ( 0.000 -4.456 0.000) 4.456 9.830 ( 0.000 2.767 0.000) 2.767 9.911 ( 0.000 -4.583 0.000) 4.583 10.086 ( 0.000 8.241 0.000) 8.241 10.222 ( 0.000 7.400 0.000) 7.400 10.248 ( 0.000 -7.820 0.000) 7.820 10.311 ( 0.000 6.033 0.000) 6.033 10.392 ( 0.000 -9.643 0.000) 9.643 10.429 ( 0.000 -6.224 0.000) 6.224 10.928 ( 0.000 2.896 0.000) 2.896 10.971 ( 0.000 -1.259 0.000) 1.259 11.100 ( 0.000 2.478 0.000) 2.478 11.130 ( 0.000 0.852 0.000) 0.852 11.156 ( 0.000 1.709 0.000) 1.709 11.175 ( 0.000 0.333 0.000) 0.333 11.270 ( 0.000 -0.067 0.000) 0.067 11.295 ( 0.000 -2.793 0.000) 2.793 11.437 ( 0.000 10.300 0.000) 10.300 11.506 ( 0.000 5.679 0.000) 5.679 11.668 ( 0.000 -11.025 0.000) 11.025 11.681 ( 0.000 -11.123 0.000) 11.123 11.898 ( 0.000 7.556 0.000) 7.556 12.008 ( 0.000 -3.657 0.000) 3.657 12.159 ( 0.000 12.109 0.000) 12.109 12.422 ( 0.000 -12.824 0.000) 12.824 14.717 ( 0.000 2.863 0.000) 2.863 14.736 ( 0.000 0.416 0.000) 0.416 14.841 ( 0.000 1.610 0.000) 1.610 14.863 ( 0.000 0.044 0.000) 0.044 14.956 ( 0.000 2.723 0.000) 2.723 15.019 ( 0.000 -2.555 0.000) 2.555 15.288 ( 0.000 4.527 0.000) 4.527 15.337 ( 0.000 -0.140 0.000) 0.140 15.444 ( 0.000 4.661 0.000) 4.661 15.446 ( 0.000 2.681 0.000) 2.681 15.480 ( 0.000 4.601 0.000) 4.601 15.519 ( 0.000 -1.638 0.000) 1.638 15.549 ( 0.000 -0.721 0.000) 0.721 15.556 ( 0.000 -1.885 0.000) 1.885 15.706 ( 0.000 2.491 0.000) 2.491 15.721 ( 0.000 4.594 0.000) 4.594 15.792 ( 0.000 -0.519 0.000) 0.519 15.808 ( 0.000 -3.767 0.000) 3.767 15.994 ( 0.000 -2.337 0.000) 2.337 15.996 ( 0.000 -2.686 0.000) 2.686 16.152 ( 0.000 1.178 0.000) 1.178 16.204 ( 0.000 -3.237 0.000) 3.237 16.247 ( 0.000 1.496 0.000) 1.496 16.290 ( 0.000 -2.339 0.000) 2.339 19.075 ( 0.000 34.964 0.000) 34.964 19.099 ( 0.000 38.057 0.000) 38.057 19.198 ( 0.000 37.777 0.000) 37.777 19.719 ( 0.000 -28.574 0.000) 28.574 19.787 ( 0.000 12.176 0.000) 12.176 19.828 ( 0.000 -34.216 0.000) 34.216 19.925 ( 0.000 -33.922 0.000) 33.922 20.054 ( 0.000 -14.068 0.000) 14.068 25.478 ( 0.000 2.846 0.000) 2.846 25.522 ( 0.000 -1.088 0.000) 1.088 25.742 ( 0.000 3.747 0.000) 3.747 25.783 ( 0.000 0.063 0.000) 0.063 25.788 ( 0.000 1.790 0.000) 1.790 25.808 ( 0.000 0.228 0.000) 0.228 26.134 ( 0.000 4.742 0.000) 4.742 26.200 ( 0.000 -1.828 0.000) 1.828 26.340 ( 0.000 0.007 0.000) 0.007 26.341 ( 0.000 -0.353 0.000) 0.353 26.479 ( 0.000 1.223 0.000) 1.223 26.526 ( 0.000 -3.219 0.000) 3.219 26.611 ( 0.000 0.888 0.000) 0.888 26.617 ( 0.000 0.694 0.000) 0.694 26.694 ( 0.000 0.118 0.000) 0.118 26.741 ( 0.000 -3.688 0.000) 3.688 26.895 ( 0.000 2.073 0.000) 2.073 26.938 ( 0.000 -1.811 0.000) 1.811 27.059 ( 0.000 1.143 0.000) 1.143 27.103 ( 0.000 -3.013 0.000) 3.013 27.270 ( 0.000 -1.289 0.000) 1.289 27.278 ( 0.000 -2.049 0.000) 2.049 27.340 ( 0.000 -1.417 0.000) 1.417 27.362 ( 0.000 -3.908 0.000) 3.908 29.370 ( 0.000 2.929 0.000) 2.929 29.395 ( 0.000 -0.076 0.000) 0.076 29.516 ( 0.000 4.954 0.000) 4.954 29.616 ( 0.000 -5.770 0.000) 5.770 29.826 ( 0.000 5.616 0.000) 5.616 29.942 ( 0.000 -6.696 0.000) 6.696 29.955 ( 0.000 6.065 0.000) 6.065 30.081 ( 0.000 -7.061 0.000) 7.061 ======================= Grid point 21 (14/50) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -1.728 8.494 -6.200) 10.657 2.062 ( -6.853 2.381 -6.969) 10.060 2.157 ( -2.628 3.578 -5.555) 7.111 2.249 ( -3.683 -1.247 1.461) 4.154 2.384 ( -5.084 6.094 -6.910) 10.523 2.448 ( -5.718 0.830 -2.751) 6.399 2.533 ( 3.933 -3.030 -0.810) 5.030 2.564 ( 0.270 -8.108 1.316) 8.218 2.740 ( 0.598 2.821 2.586) 3.874 2.834 ( 4.126 6.053 1.101) 7.408 2.846 ( -0.098 -3.065 5.829) 6.586 2.987 ( 2.661 -0.624 2.686) 3.833 3.019 ( -1.487 5.628 1.844) 6.106 3.108 ( -1.114 -1.717 -0.663) 2.152 3.200 ( 1.137 -2.408 -1.008) 2.847 3.255 ( -0.465 -0.065 -6.029) 6.048 3.281 ( 0.888 -0.274 0.185) 0.948 3.422 ( -2.581 -7.158 -1.264) 7.714 3.449 ( -4.166 1.478 -0.112) 4.422 3.463 ( -0.474 -2.525 -0.366) 2.595 3.512 ( -1.320 -4.356 2.878) 5.385 3.551 ( 1.865 -1.867 0.775) 2.751 3.584 ( -2.509 1.797 0.062) 3.087 3.635 ( 0.133 -1.825 -1.449) 2.334 3.706 ( 0.384 -2.937 -1.563) 3.349 3.727 ( 1.677 -2.420 2.455) 3.833 3.791 ( -8.205 5.430 -1.311) 9.926 3.846 ( -2.683 0.895 -4.835) 5.602 3.940 ( -4.353 -1.298 6.322) 7.785 4.009 ( -2.533 -6.106 -3.710) 7.581 4.079 ( -0.622 -2.094 3.543) 4.163 4.108 ( -2.748 -4.278 -2.263) 5.565 4.184 ( 0.560 4.406 -5.398) 6.990 4.265 ( 1.224 -2.084 -4.120) 4.777 4.328 ( 2.698 1.569 -1.386) 3.415 4.337 ( 0.282 0.972 0.799) 1.289 4.367 ( -1.515 0.897 7.049) 7.265 4.428 ( -1.689 -2.604 2.373) 3.907 4.459 ( 2.287 0.894 -2.479) 3.489 4.519 ( 3.294 -2.818 -0.161) 4.338 4.530 ( 3.475 2.010 3.374) 5.244 4.561 ( 3.947 -0.449 3.942) 5.596 4.653 ( 3.267 0.366 1.186) 3.495 4.657 ( 2.822 0.467 -2.046) 3.517 4.717 ( -0.392 7.437 3.600) 8.272 4.764 ( 1.012 1.582 -4.139) 4.545 4.790 ( -2.714 0.332 -4.419) 5.196 4.826 ( -1.191 -0.851 0.488) 1.543 4.934 ( -1.562 4.597 -1.012) 4.960 4.996 ( -4.453 2.903 -0.360) 5.328 5.067 ( -3.191 -2.488 1.996) 4.512 5.102 ( -0.225 -1.304 -3.406) 3.654 5.159 ( 4.724 3.195 5.973) 8.258 5.195 ( 4.782 -1.205 1.480) 5.149 5.253 ( 5.549 2.555 0.876) 6.172 5.313 ( 5.470 -1.438 2.730) 6.280 5.419 ( 2.487 1.540 -2.072) 3.585 5.431 ( 6.047 1.906 5.245) 8.229 5.490 ( -1.006 4.260 1.597) 4.660 5.519 ( 0.395 0.130 -5.302) 5.318 5.608 ( -1.517 3.368 -1.507) 3.989 5.693 ( -1.853 -1.500 -0.037) 2.384 5.732 ( 4.993 11.095 4.941) 13.131 5.810 ( -4.349 -0.478 3.622) 5.680 5.835 ( -1.788 -2.585 8.368) 8.939 5.852 ( -1.596 -0.470 2.968) 3.402 5.869 ( 0.791 5.034 0.451) 5.116 5.893 ( 3.498 2.700 -2.169) 4.922 5.939 ( -0.044 0.368 2.580) 2.607 6.019 ( -1.525 0.932 -0.897) 2.000 6.040 ( -0.204 3.948 -5.018) 6.388 6.068 ( 0.035 3.031 0.906) 3.164 6.100 ( -0.676 -4.063 -0.392) 4.137 6.168 ( -1.805 -3.624 -5.221) 6.607 6.194 ( 1.785 0.014 -4.440) 4.786 6.251 ( -2.772 1.306 2.091) 3.710 6.321 ( 6.283 0.817 2.403) 6.776 6.365 ( 1.277 6.530 2.511) 7.111 6.383 ( 2.443 -3.196 3.477) 5.317 6.468 ( 2.905 0.796 -0.690) 3.090 6.529 ( -2.169 1.461 1.510) 3.020 6.533 ( -1.062 -2.581 0.558) 2.846 6.581 ( -1.228 -6.605 2.731) 7.252 6.628 ( 5.340 -1.832 -1.225) 5.777 6.639 ( 8.359 0.288 -1.569) 8.509 6.680 ( 5.059 -0.973 -0.742) 5.205 6.772 ( 3.429 6.248 4.894) 8.646 6.861 ( -0.347 1.540 4.140) 4.431 6.939 ( -5.035 9.057 -2.604) 10.685 7.013 ( -0.237 4.388 -0.379) 4.411 7.047 ( -6.983 -0.774 -6.231) 9.391 7.105 ( -6.728 -2.125 -2.975) 7.657 7.135 ( -3.982 -1.352 -0.484) 4.233 7.209 ( 3.140 -6.487 2.487) 7.623 7.274 ( 3.336 2.582 3.121) 5.247 7.316 ( 0.180 1.651 -3.549) 3.918 7.357 ( -2.679 8.033 -2.187) 8.746 7.481 ( 2.657 1.542 -4.669) 5.589 7.523 ( 1.371 5.650 -2.214) 6.222 7.550 ( -3.207 4.267 2.293) 5.810 7.603 ( 1.534 4.469 -7.606) 8.954 7.704 ( -2.618 -4.512 -0.697) 5.262 7.741 ( -4.685 1.496 1.296) 5.086 7.796 ( -1.486 0.113 0.933) 1.759 7.905 ( -3.664 -4.600 1.645) 6.106 7.974 ( 1.031 -8.935 6.578) 11.143 8.076 ( -1.421 2.513 -1.716) 3.359 8.117 ( -2.308 -3.494 -2.740) 5.004 8.139 ( 8.957 2.268 0.514) 9.254 8.233 ( 7.881 -5.712 0.685) 9.758 8.315 ( -0.394 4.337 4.449) 6.226 8.376 ( 0.621 -0.979 3.253) 3.454 8.556 ( 1.192 10.690 -0.907) 10.794 8.646 ( -3.904 2.364 -0.910) 4.654 8.721 ( -1.603 10.379 1.454) 10.602 8.797 ( 1.038 -4.412 -2.852) 5.355 8.854 ( -4.764 0.120 -2.424) 5.347 8.922 ( -1.096 -4.489 -0.971) 4.721 9.025 ( -1.370 -18.862 0.887) 18.932 9.121 ( -3.708 -10.728 -3.065) 11.757 9.243 ( -0.328 4.520 0.808) 4.604 9.290 ( -0.006 -4.957 -0.668) 5.002 9.330 ( 1.837 1.099 1.187) 2.448 9.412 ( 0.929 -5.823 0.236) 5.902 9.438 ( 4.800 -0.639 6.354) 7.988 9.545 ( 4.101 -6.385 0.201) 7.592 9.608 ( -1.797 4.903 1.469) 5.424 9.712 ( -3.880 -4.552 -2.828) 6.616 9.867 ( -0.095 0.738 -0.666) 0.999 9.897 ( 3.219 -1.239 1.142) 3.634 10.017 ( -4.838 4.036 -7.165) 9.541 10.080 ( -6.465 -1.273 -6.934) 9.565 10.285 ( 2.594 2.147 0.244) 3.377 10.357 ( 3.785 -3.677 0.352) 5.289 10.454 ( 1.374 -1.130 4.017) 4.394 10.514 ( 4.454 -5.483 5.271) 8.813 10.910 ( -2.038 3.279 1.711) 4.223 10.949 ( -1.158 -0.128 0.765) 1.394 11.087 ( -0.638 1.814 -2.106) 2.851 11.110 ( -2.561 0.733 1.232) 2.935 11.117 ( -1.538 0.722 -3.020) 3.465 11.147 ( -3.562 -1.713 -2.287) 4.566 11.258 ( -1.111 0.517 0.607) 1.367 11.272 ( -0.062 -0.872 -2.748) 2.884 11.460 ( -3.121 7.887 8.378) 11.922 11.510 ( 3.226 4.960 -7.231) 9.343 11.714 ( 1.914 -7.680 6.859) 10.474 11.740 ( 8.053 -8.832 -3.866) 12.562 11.964 ( 2.309 4.126 3.930) 6.148 12.010 ( -1.323 0.413 2.908) 3.221 12.168 ( 2.887 6.986 -2.463) 7.950 12.363 ( -4.414 -10.295 -2.770) 11.539 14.747 ( 2.096 3.175 2.514) 4.560 14.765 ( 1.538 0.882 3.245) 3.698 14.874 ( 4.622 2.615 -1.236) 5.453 14.906 ( 4.558 -0.058 -0.464) 4.582 15.001 ( 2.078 2.367 2.715) 4.158 15.047 ( 1.037 -1.067 0.946) 1.764 15.161 ( -6.569 4.445 -6.076) 9.991 15.221 ( -5.273 -1.666 -7.131) 9.024 15.333 ( -8.614 3.585 -2.120) 9.568 15.391 ( -8.714 -1.285 -0.524) 8.824 15.408 ( -3.023 3.319 0.925) 4.583 15.489 ( -2.584 -3.944 -1.271) 4.883 15.549 ( 0.414 4.629 2.558) 5.305 15.629 ( 2.163 -2.611 1.667) 3.778 15.701 ( -0.630 2.898 1.104) 3.165 15.736 ( 0.064 1.101 -2.225) 2.483 15.792 ( 2.782 1.869 -3.108) 4.571 15.821 ( 2.118 -1.262 -2.270) 3.351 16.002 ( -0.802 -2.502 2.699) 3.767 16.007 ( 0.169 -2.682 1.680) 3.170 16.146 ( 0.202 2.115 0.702) 2.238 16.187 ( 0.427 -1.052 -0.639) 1.303 16.326 ( 4.671 -0.442 0.602) 4.730 16.348 ( 2.450 -2.127 2.955) 4.388 19.093 ( -0.596 36.417 0.818) 36.431 19.159 ( 6.311 33.716 3.634) 34.493 19.191 ( 0.090 36.972 -1.074) 36.988 19.660 ( -8.944 17.517 -5.698) 20.477 19.753 ( 1.806 -27.337 1.997) 27.469 19.828 ( 0.004 -32.659 0.637) 32.665 19.915 ( -0.394 -32.996 -0.916) 33.011 20.022 ( -2.469 -18.358 -1.769) 18.607 25.460 ( -1.746 2.248 0.261) 2.858 25.488 ( -2.354 -0.229 -1.217) 2.659 25.666 ( -0.552 1.852 -4.752) 5.130 25.681 ( -1.665 0.429 -4.096) 4.443 25.907 ( 2.238 2.941 5.942) 6.997 25.932 ( 4.001 0.552 6.534) 7.682 26.120 ( -0.686 5.718 -0.900) 5.828 26.200 ( -0.650 -2.022 -0.084) 2.126 26.325 ( -0.277 0.480 -0.385) 0.675 26.345 ( -1.046 -1.139 0.262) 1.568 26.518 ( 3.360 -0.175 0.533) 3.407 26.546 ( 2.431 -2.586 -0.409) 3.573 26.598 ( -0.461 1.492 -0.246) 1.581 26.631 ( 1.280 -1.359 0.629) 1.970 26.741 ( 2.582 0.886 2.882) 3.969 26.801 ( 3.057 -4.370 2.816) 6.030 26.907 ( 1.495 1.303 -0.287) 2.004 26.928 ( -0.338 -0.651 -1.175) 1.385 27.036 ( -1.999 1.676 -0.752) 2.715 27.092 ( -1.121 -3.641 -0.015) 3.810 27.263 ( 0.688 -0.747 -0.863) 1.333 27.284 ( 0.825 -2.959 -1.079) 3.256 27.334 ( -0.294 0.425 0.314) 0.605 27.389 ( 1.141 -4.818 0.796) 5.015 29.368 ( -1.671 3.640 1.426) 4.251 29.409 ( -2.416 -0.629 2.729) 3.699 29.537 ( 4.375 3.962 -0.587) 5.932 29.615 ( 2.672 -4.451 -0.073) 5.192 29.821 ( -1.399 4.210 -1.056) 4.560 29.883 ( -2.593 0.553 -3.840) 4.666 29.956 ( -1.426 -1.075 0.741) 1.933 30.037 ( -2.975 -6.447 -1.454) 7.247 ======================= Grid point 22 (15/50) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.000 4.434 0.000) 4.434 2.012 ( 0.000 0.142 0.000) 0.142 2.083 ( -0.000 14.479 -0.000) 14.479 2.163 ( -0.000 2.263 0.000) 2.263 2.319 ( -0.000 -3.259 -0.000) 3.259 2.332 ( 0.000 -8.498 0.000) 8.498 2.554 ( 0.000 -4.643 -0.000) 4.643 2.562 ( -0.000 -3.529 0.000) 3.529 2.800 ( -0.000 -1.305 -0.000) 1.305 2.826 ( 0.000 -2.079 0.000) 2.079 2.981 ( 0.000 12.227 0.000) 12.227 2.996 ( 0.000 6.892 -0.000) 6.892 3.049 ( -0.000 1.874 -0.000) 1.874 3.060 ( 0.000 -0.806 0.000) 0.806 3.184 ( 0.000 1.603 0.000) 1.603 3.203 ( -0.000 1.109 0.000) 1.109 3.272 ( -0.000 -1.129 0.000) 1.129 3.332 ( 0.000 -10.722 -0.000) 10.722 3.462 ( -0.000 9.579 0.000) 9.579 3.495 ( 0.000 1.787 -0.000) 1.787 3.522 ( 0.000 -4.781 0.000) 4.781 3.528 ( -0.000 -1.913 -0.000) 1.913 3.606 ( 0.000 -1.642 0.000) 1.642 3.635 ( 0.000 3.550 0.000) 3.550 3.663 ( 0.000 -1.418 0.000) 1.418 3.688 ( 0.000 -5.003 -0.000) 5.003 3.773 ( 0.000 -7.940 0.000) 7.940 3.788 ( 0.000 -4.153 -0.000) 4.153 3.913 ( -0.000 -1.670 0.000) 1.670 3.948 ( -0.000 -3.342 -0.000) 3.342 4.095 ( 0.000 1.293 -0.000) 1.293 4.113 ( 0.000 -0.724 -0.000) 0.724 4.158 ( -0.000 3.642 0.000) 3.642 4.239 ( 0.000 -2.802 0.000) 2.802 4.328 ( 0.000 1.433 -0.000) 1.433 4.347 ( 0.000 -0.594 0.000) 0.594 4.435 ( -0.000 -2.377 0.000) 2.377 4.437 ( 0.000 -2.195 -0.000) 2.195 4.469 ( -0.000 1.414 0.000) 1.414 4.530 ( 0.000 -4.068 -0.000) 4.068 4.585 ( 0.000 7.458 0.000) 7.458 4.658 ( 0.000 1.318 -0.000) 1.318 4.683 ( 0.000 0.385 0.000) 0.385 4.686 ( -0.000 -1.325 -0.000) 1.325 4.700 ( 0.000 1.336 0.000) 1.336 4.731 ( -0.000 -1.682 -0.000) 1.682 4.811 ( -0.000 3.138 -0.000) 3.138 4.840 ( 0.000 3.374 0.000) 3.374 4.876 ( -0.000 3.376 -0.000) 3.376 4.898 ( 0.000 -0.666 0.000) 0.666 5.009 ( 0.000 -3.663 0.000) 3.663 5.061 ( 0.000 -6.442 -0.000) 6.442 5.256 ( 0.000 2.944 0.000) 2.944 5.284 ( 0.000 0.796 -0.000) 0.796 5.377 ( 0.000 1.485 0.000) 1.485 5.386 ( -0.000 1.411 -0.000) 1.411 5.427 ( 0.000 2.504 -0.000) 2.504 5.443 ( -0.000 1.489 -0.000) 1.489 5.494 ( 0.000 4.909 0.000) 4.909 5.554 ( 0.000 6.953 0.000) 6.953 5.598 ( -0.000 -2.930 0.000) 2.930 5.634 ( 0.000 2.145 0.000) 2.145 5.785 ( 0.000 2.656 0.000) 2.656 5.827 ( 0.000 3.693 0.000) 3.693 5.846 ( 0.000 2.030 -0.000) 2.030 5.857 ( -0.000 0.592 0.000) 0.592 5.879 ( 0.000 5.742 0.000) 5.742 5.899 ( -0.000 4.617 0.000) 4.617 5.973 ( 0.000 6.833 -0.000) 6.833 6.003 ( 0.000 1.051 0.000) 1.051 6.041 ( -0.000 7.097 0.000) 7.097 6.058 ( 0.000 -3.155 0.000) 3.155 6.080 ( 0.000 -3.321 0.000) 3.321 6.161 ( -0.000 -1.828 -0.000) 1.828 6.214 ( 0.000 -6.622 0.000) 6.622 6.237 ( 0.000 -1.343 -0.000) 1.343 6.326 ( 0.000 2.866 -0.000) 2.866 6.402 ( 0.000 -1.172 0.000) 1.172 6.448 ( 0.000 1.927 0.000) 1.927 6.479 ( 0.000 -2.675 -0.000) 2.675 6.513 ( 0.000 4.495 -0.000) 4.495 6.583 ( -0.000 0.990 0.000) 0.990 6.584 ( 0.000 -2.200 0.000) 2.200 6.671 ( 0.000 -6.063 -0.000) 6.063 6.732 ( 0.000 3.670 0.000) 3.670 6.758 ( -0.000 -0.329 -0.000) 0.329 6.803 ( -0.000 0.195 -0.000) 0.195 6.836 ( -0.000 -2.173 -0.000) 2.173 6.863 ( 0.000 2.968 0.000) 2.968 6.920 ( 0.000 0.450 0.000) 0.450 6.988 ( 0.000 -1.777 0.000) 1.777 6.994 ( 0.000 1.449 0.000) 1.449 7.186 ( 0.000 6.476 0.000) 6.476 7.218 ( -0.000 6.033 -0.000) 6.033 7.292 ( 0.000 2.941 0.000) 2.941 7.365 ( 0.000 1.296 -0.000) 1.296 7.370 ( 0.000 0.171 0.000) 0.171 7.449 ( -0.000 7.995 -0.000) 7.995 7.536 ( 0.000 9.479 -0.000) 9.479 7.583 ( -0.000 2.624 -0.000) 2.624 7.604 ( 0.000 -4.954 0.000) 4.954 7.630 ( 0.000 -0.911 -0.000) 0.911 7.660 ( 0.000 3.724 0.000) 3.724 7.666 ( 0.000 -4.963 0.000) 4.963 7.933 ( -0.000 -1.168 -0.000) 1.168 7.973 ( 0.000 1.455 0.000) 1.455 8.067 ( -0.000 -9.745 -0.000) 9.745 8.080 ( 0.000 -12.996 0.000) 12.996 8.262 ( 0.000 4.657 -0.000) 4.657 8.299 ( -0.000 -0.816 0.000) 0.816 8.349 ( 0.000 2.014 -0.000) 2.014 8.415 ( 0.000 -2.685 0.000) 2.685 8.571 ( 0.000 12.918 0.000) 12.918 8.628 ( 0.000 5.673 0.000) 5.673 8.703 ( 0.000 10.246 0.000) 10.246 8.729 ( -0.000 2.367 0.000) 2.367 8.817 ( 0.000 -5.257 0.000) 5.257 8.899 ( 0.000 -5.312 -0.000) 5.312 9.020 ( 0.000 -17.028 -0.000) 17.028 9.058 ( -0.000 -10.036 0.000) 10.036 9.236 ( -0.000 -0.574 0.000) 0.574 9.266 ( 0.000 -7.427 -0.000) 7.427 9.394 ( 0.000 -1.892 0.000) 1.892 9.404 ( 0.000 -2.285 0.000) 2.285 9.528 ( -0.000 1.622 -0.000) 1.622 9.552 ( 0.000 -0.073 -0.000) 0.073 9.719 ( -0.000 0.814 -0.000) 0.814 9.745 ( 0.000 -0.976 -0.000) 0.976 9.772 ( 0.000 -2.596 0.000) 2.596 9.780 ( 0.000 -3.381 0.000) 3.381 9.994 ( 0.000 1.105 0.000) 1.105 10.005 ( 0.000 -0.738 0.000) 0.738 10.324 ( 0.000 -0.921 -0.000) 0.921 10.372 ( -0.000 -4.098 0.000) 4.098 10.497 ( 0.000 2.172 0.000) 2.172 10.591 ( 0.000 -5.571 -0.000) 5.571 10.944 ( 0.000 3.762 0.000) 3.762 10.959 ( -0.000 3.010 -0.000) 3.010 11.023 ( -0.000 0.035 -0.000) 0.035 11.027 ( 0.000 0.259 0.000) 0.259 11.100 ( 0.000 -0.143 0.000) 0.143 11.109 ( 0.000 -1.392 0.000) 1.392 11.247 ( 0.000 -0.167 0.000) 0.167 11.258 ( 0.000 -1.194 -0.000) 1.194 11.477 ( -0.000 5.186 0.000) 5.186 11.496 ( 0.000 4.409 -0.000) 4.409 11.799 ( -0.000 -6.824 0.000) 6.824 11.803 ( 0.000 -6.508 -0.000) 6.508 12.005 ( 0.000 5.558 0.000) 5.558 12.010 ( 0.000 4.474 0.000) 4.474 12.237 ( -0.000 -3.194 -0.000) 3.194 12.245 ( 0.000 -4.434 0.000) 4.434 14.814 ( -0.000 3.197 -0.000) 3.197 14.821 ( 0.000 2.859 -0.000) 2.859 14.952 ( -0.000 2.382 0.000) 2.382 14.957 ( -0.000 2.249 0.000) 2.249 14.988 ( 0.000 3.188 0.000) 3.188 15.020 ( 0.000 0.469 0.000) 0.469 15.082 ( 0.000 3.249 -0.000) 3.249 15.138 ( 0.000 -2.111 -0.000) 2.111 15.244 ( -0.000 -0.198 -0.000) 0.198 15.264 ( 0.000 -2.679 0.000) 2.679 15.377 ( 0.000 1.710 0.000) 1.710 15.431 ( 0.000 -3.422 0.000) 3.422 15.577 ( 0.000 5.479 0.000) 5.479 15.664 ( 0.000 -1.765 0.000) 1.765 15.700 ( 0.000 -0.060 0.000) 0.060 15.701 ( -0.000 -0.466 -0.000) 0.466 15.803 ( 0.000 2.843 0.000) 2.843 15.835 ( 0.000 1.395 0.000) 1.395 16.011 ( -0.000 -2.563 0.000) 2.563 16.021 ( 0.000 -2.681 -0.000) 2.681 16.158 ( 0.000 2.461 -0.000) 2.461 16.192 ( 0.000 -0.298 0.000) 0.298 16.376 ( 0.000 -0.821 -0.000) 0.821 16.389 ( 0.000 -1.871 0.000) 1.871 19.090 ( 0.000 35.958 0.000) 35.958 19.183 ( 0.000 36.483 -0.000) 36.483 19.320 ( -0.000 27.224 -0.000) 27.224 19.460 ( 0.000 26.714 0.000) 26.714 19.783 ( 0.000 -29.069 0.000) 29.069 19.851 ( 0.000 -26.799 0.000) 26.799 19.902 ( 0.000 -31.296 -0.000) 31.296 19.968 ( 0.000 -24.905 -0.000) 24.905 25.444 ( 0.000 1.381 0.000) 1.381 25.451 ( 0.000 0.788 -0.000) 0.788 25.642 ( -0.000 0.775 0.000) 0.775 25.644 ( 0.000 0.832 -0.000) 0.832 25.960 ( 0.000 4.875 0.000) 4.875 26.019 ( 0.000 -0.456 0.000) 0.456 26.109 ( -0.000 5.435 0.000) 5.435 26.176 ( 0.000 -0.900 0.000) 0.900 26.319 ( 0.000 0.153 0.000) 0.153 26.334 ( 0.000 -1.344 0.000) 1.344 26.557 ( -0.000 -0.727 -0.000) 0.727 26.572 ( 0.000 -2.321 0.000) 2.321 26.598 ( 0.000 1.634 0.000) 1.634 26.658 ( -0.000 -3.637 0.000) 3.637 26.788 ( 0.000 1.099 0.000) 1.099 26.854 ( 0.000 -4.687 0.000) 4.687 26.912 ( 0.000 1.091 0.000) 1.091 26.923 ( 0.000 0.086 0.000) 0.086 27.008 ( 0.000 1.937 0.000) 1.937 27.077 ( 0.000 -4.206 0.000) 4.206 27.269 ( 0.000 -0.320 0.000) 0.320 27.284 ( 0.000 -1.993 -0.000) 1.993 27.333 ( 0.000 0.735 0.000) 0.735 27.403 ( 0.000 -5.498 0.000) 5.498 29.349 ( 0.000 3.254 0.000) 3.254 29.385 ( 0.000 -0.595 0.000) 0.595 29.613 ( -0.000 4.893 -0.000) 4.893 29.698 ( 0.000 -3.424 -0.000) 3.424 29.758 ( 0.000 2.643 0.000) 2.643 29.811 ( 0.000 -3.006 0.000) 3.006 29.934 ( -0.000 1.080 0.000) 1.080 30.001 ( 0.000 -5.264 -0.000) 5.264 ======================= Grid point 45 (16/50) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 4.855 0.000 40.805) 41.093 0.909 ( -5.764 0.000 41.121) 41.523 1.414 ( -2.165 0.000 55.575) 55.618 1.637 ( 9.674 0.000 15.059) 17.898 1.799 ( -3.304 0.000 5.573) 6.479 2.068 ( 6.119 0.000 -9.052) 10.926 2.338 ( 7.362 0.000 1.915) 7.607 2.361 ( -3.402 0.000 -25.758) 25.982 2.408 ( 4.914 0.000 -22.805) 23.329 2.563 ( -11.710 0.000 -6.164) 13.233 2.668 ( 5.635 0.000 6.893) 8.903 2.773 ( -13.977 0.000 15.873) 21.150 2.929 ( -1.611 0.000 2.888) 3.307 2.977 ( -1.429 0.000 -4.199) 4.436 3.069 ( 3.934 0.000 -3.344) 5.163 3.082 ( -3.061 0.000 2.880) 4.203 3.128 ( -5.162 0.000 -8.328) 9.798 3.386 ( 3.633 0.000 -5.625) 6.696 3.421 ( -4.751 0.000 -2.238) 5.252 3.494 ( -2.206 0.000 -0.061) 2.207 3.548 ( 1.289 0.000 -6.131) 6.265 3.560 ( -1.527 0.000 -0.473) 1.599 3.695 ( -9.405 0.000 -0.068) 9.405 3.714 ( 0.250 0.000 1.579) 1.598 3.740 ( 1.964 0.000 1.516) 2.481 3.827 ( 4.331 0.000 -6.618) 7.909 3.843 ( 3.634 0.000 6.354) 7.320 3.923 ( 3.062 0.000 -3.660) 4.772 3.931 ( -1.197 0.000 5.767) 5.890 4.009 ( -1.661 0.000 6.286) 6.502 4.053 ( 2.000 0.000 -0.545) 2.073 4.081 ( 0.945 0.000 -7.033) 7.096 4.096 ( -0.185 0.000 -6.074) 6.077 4.193 ( -0.318 0.000 -2.205) 2.228 4.218 ( 4.937 0.000 -3.061) 5.809 4.280 ( -0.710 0.000 2.507) 2.605 4.332 ( 1.353 0.000 1.127) 1.761 4.337 ( -0.396 0.000 -2.887) 2.913 4.365 ( 2.852 0.000 -9.732) 10.142 4.388 ( -2.653 0.000 1.144) 2.889 4.465 ( -0.408 0.000 5.023) 5.039 4.508 ( 2.881 0.000 -0.153) 2.885 4.572 ( 5.733 0.000 -9.740) 11.302 4.607 ( -2.733 0.000 -9.955) 10.324 4.692 ( 5.277 0.000 -1.024) 5.375 4.708 ( -3.830 0.000 1.379) 4.071 4.755 ( -0.835 0.000 -1.697) 1.891 4.816 ( 0.844 0.000 -3.197) 3.307 4.827 ( -2.366 0.000 0.711) 2.471 4.890 ( 2.476 0.000 0.903) 2.636 4.894 ( -1.219 0.000 1.162) 1.684 4.977 ( 5.782 0.000 2.959) 6.495 5.061 ( -0.087 0.000 0.575) 0.582 5.088 ( -6.450 0.000 -1.303) 6.581 5.135 ( -2.089 0.000 -6.567) 6.892 5.148 ( -7.303 0.000 -0.352) 7.311 5.157 ( -3.286 0.000 -6.828) 7.577 5.188 ( 0.958 0.000 -1.433) 1.724 5.220 ( -4.023 0.000 -0.519) 4.057 5.276 ( 7.460 0.000 2.507) 7.870 5.328 ( 5.378 0.000 4.688) 7.135 5.393 ( 0.271 0.000 -3.718) 3.727 5.468 ( -0.074 0.000 2.772) 2.773 5.599 ( 0.046 0.000 3.508) 3.508 5.652 ( 1.542 0.000 -5.176) 5.401 5.665 ( -2.486 0.000 -2.053) 3.224 5.692 ( -1.543 0.000 -2.027) 2.547 5.804 ( 4.523 0.000 2.306) 5.077 5.818 ( -0.034 0.000 -1.987) 1.987 5.844 ( 8.125 0.000 10.540) 13.308 5.932 ( 8.914 0.000 -2.896) 9.373 5.938 ( -7.658 0.000 4.403) 8.833 6.020 ( 4.802 0.000 1.251) 4.962 6.059 ( 0.397 0.000 -0.358) 0.535 6.090 ( 1.590 0.000 0.387) 1.637 6.136 ( -3.531 0.000 3.983) 5.323 6.221 ( 2.878 0.000 7.896) 8.405 6.241 ( -5.300 0.000 -1.620) 5.542 6.280 ( 4.343 0.000 2.986) 5.270 6.332 ( -2.288 0.000 -3.568) 4.239 6.378 ( -1.142 0.000 -6.469) 6.569 6.419 ( -4.986 0.000 0.117) 4.987 6.478 ( -7.727 0.000 2.755) 8.203 6.506 ( -4.247 0.000 -0.667) 4.299 6.630 ( -7.249 0.000 1.769) 7.462 6.654 ( 3.752 0.000 -5.488) 6.648 6.766 ( -4.527 0.000 7.597) 8.843 6.793 ( 8.405 0.000 2.780) 8.853 6.865 ( -8.914 0.000 1.182) 8.992 6.911 ( -5.401 0.000 5.490) 7.702 6.930 ( 0.000 0.000 -1.004) 1.004 6.956 ( 8.447 0.000 0.852) 8.490 7.085 ( 2.411 0.000 2.549) 3.509 7.189 ( 1.506 0.000 2.938) 3.302 7.226 ( -2.074 0.000 -1.910) 2.819 7.267 ( -3.239 0.000 1.579) 3.603 7.322 ( 5.975 0.000 -5.832) 8.349 7.371 ( -2.277 0.000 6.765) 7.138 7.464 ( 1.889 0.000 8.621) 8.826 7.515 ( -2.861 0.000 -6.126) 6.761 7.578 ( 3.836 0.000 0.202) 3.841 7.647 ( 1.910 0.000 -2.971) 3.532 7.648 ( -2.227 0.000 -2.603) 3.426 7.724 ( -6.734 0.000 -0.064) 6.735 7.873 ( 5.036 0.000 -7.122) 8.723 7.957 ( -3.734 0.000 0.556) 3.775 8.004 ( 4.210 0.000 -6.058) 7.377 8.025 ( 7.793 0.000 -2.860) 8.301 8.107 ( -3.967 0.000 7.738) 8.696 8.204 ( -1.742 0.000 5.029) 5.322 8.412 ( 1.622 0.000 -6.304) 6.509 8.478 ( -5.309 0.000 8.622) 10.126 8.643 ( 2.312 0.000 0.164) 2.318 8.681 ( 0.514 0.000 7.497) 7.515 8.717 ( -3.125 0.000 -10.762) 11.207 8.742 ( -9.415 0.000 5.271) 10.790 8.860 ( -4.818 0.000 1.512) 5.050 9.014 ( 2.522 0.000 8.944) 9.293 9.021 ( 6.578 0.000 -2.999) 7.229 9.049 ( 1.956 0.000 4.456) 4.867 9.106 ( -3.155 0.000 2.342) 3.930 9.245 ( -3.828 0.000 6.405) 7.462 9.283 ( -1.390 0.000 -0.121) 1.395 9.460 ( 6.272 0.000 -2.869) 6.897 9.859 ( 12.186 0.000 4.070) 12.848 9.880 ( 6.505 0.000 -12.011) 13.659 9.922 ( 4.252 0.000 -15.322) 15.901 9.959 ( 6.499 0.000 -5.874) 8.760 10.096 ( -5.696 0.000 -7.633) 9.524 10.191 ( 2.468 0.000 -0.879) 2.620 10.201 ( 1.729 0.000 3.352) 3.772 10.333 ( -6.402 0.000 -3.799) 7.445 10.536 ( -3.686 0.000 1.919) 4.155 10.566 ( -5.996 0.000 6.675) 8.973 10.712 ( 9.489 0.000 5.307) 10.872 10.773 ( -15.484 0.000 2.228) 15.643 10.901 ( 2.206 0.000 5.129) 5.583 11.035 ( -2.125 0.000 -3.044) 3.713 11.044 ( -2.771 0.000 -3.055) 4.124 11.177 ( -10.952 0.000 -6.870) 12.928 11.377 ( 1.326 0.000 0.986) 1.652 11.384 ( -0.427 0.000 0.675) 0.799 11.468 ( 13.680 0.000 5.208) 14.638 11.551 ( -6.291 0.000 2.101) 6.633 11.629 ( -8.276 0.000 5.790) 10.100 11.670 ( 2.306 0.000 3.549) 4.232 11.784 ( 14.987 0.000 -2.374) 15.174 11.865 ( 6.054 0.000 -1.559) 6.252 12.322 ( -4.846 0.000 -0.016) 4.846 12.370 ( 20.171 0.000 -1.080) 20.200 12.409 ( 0.423 0.000 6.318) 6.333 12.733 ( 6.459 0.000 -6.122) 8.899 14.749 ( -2.428 0.000 -2.082) 3.199 14.803 ( -2.765 0.000 -4.112) 4.955 14.835 ( 1.268 0.000 0.011) 1.268 14.907 ( -2.761 0.000 -1.284) 3.045 14.944 ( -1.577 0.000 -3.634) 3.962 14.951 ( -1.785 0.000 -2.225) 2.852 15.037 ( -0.053 0.000 4.415) 4.415 15.097 ( -1.156 0.000 -1.188) 1.658 15.145 ( 5.513 0.000 0.838) 5.576 15.232 ( 3.973 0.000 -5.833) 7.057 15.297 ( -0.952 0.000 -0.542) 1.095 15.374 ( 0.342 0.000 -2.144) 2.171 15.445 ( -2.950 0.000 1.700) 3.405 15.466 ( 2.222 0.000 1.624) 2.753 15.619 ( 2.709 0.000 -2.664) 3.799 15.658 ( -9.597 0.000 -3.828) 10.333 15.791 ( -5.338 0.000 1.027) 5.436 15.901 ( -0.865 0.000 -2.925) 3.050 15.968 ( -8.970 0.000 1.947) 9.179 15.974 ( 1.822 0.000 -1.104) 2.130 16.104 ( 4.430 0.000 3.748) 5.803 16.241 ( -0.013 0.000 -1.425) 1.425 16.263 ( 1.160 0.000 4.477) 4.625 16.314 ( 2.117 0.000 1.919) 2.857 16.421 ( -1.834 0.000 1.593) 2.430 16.454 ( 0.922 0.000 0.050) 0.923 16.552 ( 0.983 0.000 2.692) 2.866 16.554 ( -0.334 0.000 3.331) 3.348 20.914 ( 12.839 0.000 16.220) 20.687 21.867 ( -7.023 0.000 -18.463) 19.753 22.183 ( 10.626 0.000 9.267) 14.099 22.786 ( -59.890 0.000 -12.900) 61.263 25.252 ( 1.506 0.000 -0.782) 1.697 25.332 ( -3.792 0.000 -4.784) 6.104 25.443 ( 2.689 0.000 0.152) 2.693 25.450 ( -5.138 0.000 -0.511) 5.163 25.471 ( 5.939 0.000 0.849) 5.999 25.475 ( -6.856 0.000 0.600) 6.882 25.555 ( 3.828 0.000 2.574) 4.613 25.571 ( -2.386 0.000 0.891) 2.547 26.364 ( -0.666 0.000 0.013) 0.666 26.385 ( -0.040 0.000 -1.094) 1.094 26.463 ( 2.609 0.000 1.166) 2.858 26.533 ( 1.617 0.000 -1.163) 1.991 26.585 ( -0.988 0.000 0.077) 0.991 26.598 ( 1.056 0.000 0.169) 1.069 26.725 ( 2.766 0.000 2.010) 3.419 26.851 ( 2.200 0.000 -3.929) 4.503 27.167 ( -0.172 0.000 2.576) 2.582 27.221 ( 0.809 0.000 0.790) 1.130 27.366 ( 0.673 0.000 -1.395) 1.549 27.381 ( -1.770 0.000 -1.257) 2.171 27.480 ( -0.130 0.000 3.969) 3.971 27.500 ( -0.193 0.000 3.303) 3.309 27.627 ( -0.674 0.000 2.101) 2.206 27.759 ( -0.265 0.000 -2.931) 2.943 28.297 ( 33.667 0.000 9.698) 35.036 28.621 ( -4.502 0.000 1.577) 4.771 28.831 ( -2.638 0.000 5.742) 6.319 29.360 ( -1.268 0.000 -9.036) 9.124 30.535 ( -4.466 0.000 0.555) 4.500 30.573 ( 14.859 0.000 0.148) 14.860 30.798 ( -2.892 0.000 -0.312) 2.908 30.907 ( 4.356 0.000 -5.516) 7.029 ======================= Grid point 46 (17/50) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 6.366 0.000 27.872) 28.590 1.364 ( 5.859 0.000 31.011) 31.560 1.688 ( -13.275 0.000 4.135) 13.904 1.750 ( -1.143 0.000 2.072) 2.366 2.068 ( 2.969 0.000 -24.574) 24.753 2.101 ( 11.780 0.000 -15.686) 19.617 2.262 ( 6.763 0.000 -26.367) 27.221 2.293 ( -6.645 0.000 2.338) 7.044 2.384 ( 14.297 0.000 19.970) 24.560 2.455 ( -2.295 0.000 23.007) 23.121 2.730 ( -1.427 0.000 7.843) 7.972 2.766 ( -1.633 0.000 -1.167) 2.007 2.818 ( -8.001 0.000 1.230) 8.095 2.883 ( 0.149 0.000 4.086) 4.089 2.992 ( 3.301 0.000 0.863) 3.412 3.068 ( 1.898 0.000 10.327) 10.500 3.116 ( -5.329 0.000 12.212) 13.324 3.330 ( 5.520 0.000 -9.452) 10.946 3.414 ( 0.208 0.000 -1.484) 1.498 3.467 ( -3.568 0.000 3.721) 5.155 3.527 ( -2.751 0.000 2.622) 3.801 3.528 ( -2.675 0.000 -2.270) 3.508 3.628 ( 5.025 0.000 0.037) 5.025 3.714 ( -3.091 0.000 1.804) 3.579 3.734 ( 3.762 0.000 -8.223) 9.043 3.764 ( 0.806 0.000 -24.271) 24.284 3.803 ( -22.064 0.000 -11.130) 24.712 3.915 ( 0.721 0.000 -6.197) 6.239 3.982 ( 2.860 0.000 6.892) 7.462 4.020 ( 3.782 0.000 -6.400) 7.434 4.057 ( -0.597 0.000 1.849) 1.943 4.062 ( 1.454 0.000 4.526) 4.754 4.115 ( 0.304 0.000 -2.870) 2.886 4.169 ( 0.339 0.000 -0.982) 1.039 4.172 ( -6.182 0.000 -8.401) 10.430 4.218 ( 7.692 0.000 2.933) 8.233 4.287 ( -4.544 0.000 -0.600) 4.584 4.329 ( -1.558 0.000 0.928) 1.814 4.338 ( -3.616 0.000 -2.405) 4.343 4.367 ( -2.823 0.000 -2.171) 3.561 4.382 ( 0.196 0.000 1.771) 1.781 4.455 ( -2.150 0.000 1.586) 2.671 4.559 ( -1.231 0.000 -6.044) 6.168 4.613 ( 6.008 0.000 1.928) 6.310 4.681 ( 1.620 0.000 -2.766) 3.206 4.705 ( -4.556 0.000 3.270) 5.609 4.748 ( 1.361 0.000 -6.581) 6.720 4.758 ( -5.966 0.000 6.130) 8.554 4.847 ( 4.391 0.000 2.164) 4.895 4.922 ( 9.171 0.000 -3.200) 9.713 4.956 ( 0.382 0.000 5.563) 5.576 4.994 ( 0.284 0.000 -4.081) 4.091 5.024 ( -6.550 0.000 0.022) 6.550 5.048 ( -2.889 0.000 1.491) 3.251 5.062 ( 2.558 0.000 -1.263) 2.853 5.070 ( -1.612 0.000 1.473) 2.184 5.113 ( -0.079 0.000 2.726) 2.727 5.198 ( 0.718 0.000 -1.304) 1.489 5.305 ( -3.175 0.000 -3.993) 5.102 5.353 ( 10.739 0.000 5.079) 11.880 5.372 ( -5.187 0.000 -1.546) 5.412 5.453 ( 4.965 0.000 6.658) 8.306 5.523 ( 5.289 0.000 1.789) 5.583 5.566 ( -0.129 0.000 -11.185) 11.186 5.571 ( -4.671 0.000 -3.331) 5.737 5.672 ( 4.035 0.000 -1.554) 4.324 5.673 ( 0.803 0.000 -1.531) 1.729 5.802 ( -0.536 0.000 2.999) 3.047 5.845 ( -1.496 0.000 -5.119) 5.333 5.901 ( -5.799 0.000 11.612) 12.980 5.956 ( 2.780 0.000 4.696) 5.457 5.995 ( -1.706 0.000 -2.213) 2.794 6.030 ( -11.115 0.000 -4.408) 11.957 6.047 ( 0.522 0.000 -1.370) 1.466 6.141 ( 3.395 0.000 2.256) 4.077 6.161 ( -2.960 0.000 1.284) 3.226 6.191 ( 7.216 0.000 -0.816) 7.262 6.233 ( -0.337 0.000 4.197) 4.210 6.272 ( 1.026 0.000 -5.125) 5.226 6.343 ( -5.450 0.000 2.711) 6.087 6.350 ( 5.469 0.000 1.682) 5.722 6.389 ( 1.280 0.000 2.542) 2.846 6.484 ( 1.915 0.000 -0.366) 1.949 6.547 ( -5.498 0.000 3.736) 6.647 6.562 ( -0.310 0.000 4.025) 4.037 6.633 ( 3.031 0.000 0.548) 3.080 6.657 ( -3.861 0.000 -3.958) 5.530 6.772 ( -2.381 0.000 2.226) 3.260 6.839 ( -1.902 0.000 -1.157) 2.226 6.895 ( -1.683 0.000 1.230) 2.085 7.039 ( 7.423 0.000 3.382) 8.157 7.080 ( 3.097 0.000 -0.438) 3.128 7.136 ( 0.547 0.000 -4.234) 4.269 7.198 ( -0.733 0.000 -0.893) 1.156 7.221 ( 4.788 0.000 0.610) 4.827 7.281 ( -0.415 0.000 8.545) 8.555 7.368 ( 2.474 0.000 2.477) 3.501 7.386 ( -1.886 0.000 -7.314) 7.553 7.526 ( 6.322 0.000 -2.780) 6.906 7.541 ( -2.305 0.000 -2.142) 3.147 7.588 ( -3.765 0.000 8.990) 9.746 7.643 ( 1.775 0.000 1.466) 2.302 7.692 ( -3.420 0.000 -2.646) 4.324 7.717 ( 6.966 0.000 3.135) 7.639 7.798 ( -1.590 0.000 -5.875) 6.087 7.896 ( -0.601 0.000 -0.269) 0.659 7.975 ( 6.250 0.000 -10.914) 12.577 8.042 ( 0.955 0.000 -3.244) 3.382 8.125 ( -2.711 0.000 7.382) 7.864 8.285 ( -2.223 0.000 10.852) 11.077 8.409 ( -9.405 0.000 6.585) 11.481 8.445 ( 2.739 0.000 -4.164) 4.984 8.488 ( -4.560 0.000 -6.758) 8.153 8.636 ( -5.871 0.000 6.572) 8.812 8.700 ( -3.671 0.000 1.877) 4.123 8.732 ( -0.144 0.000 1.898) 1.903 8.776 ( 0.395 0.000 -2.029) 2.067 9.030 ( -7.682 0.000 8.565) 11.505 9.065 ( -0.839 0.000 -0.301) 0.891 9.127 ( 5.200 0.000 -3.538) 6.289 9.162 ( 3.437 0.000 2.330) 4.153 9.299 ( -2.364 0.000 9.458) 9.749 9.300 ( -1.160 0.000 2.794) 3.025 9.564 ( 5.602 0.000 -1.235) 5.736 9.814 ( 4.477 0.000 -14.394) 15.074 9.860 ( 9.558 0.000 -18.370) 20.707 9.879 ( 0.995 0.000 -10.220) 10.269 9.986 ( -1.621 0.000 -2.461) 2.947 10.103 ( 3.221 0.000 4.029) 5.158 10.192 ( -1.205 0.000 -4.845) 4.992 10.206 ( 6.250 0.000 -8.149) 10.270 10.290 ( 0.289 0.000 5.121) 5.130 10.508 ( -2.824 0.000 1.290) 3.104 10.619 ( -7.357 0.000 1.281) 7.468 10.659 ( 4.782 0.000 14.396) 15.169 10.894 ( -1.812 0.000 9.186) 9.363 10.966 ( -0.229 0.000 -2.349) 2.360 10.971 ( -1.925 0.000 -1.278) 2.311 11.005 ( -1.338 0.000 -0.832) 1.575 11.017 ( 0.652 0.000 9.947) 9.968 11.376 ( -2.087 0.000 -0.852) 2.254 11.421 ( -7.064 0.000 -2.019) 7.347 11.447 ( 5.824 0.000 0.748) 5.872 11.521 ( -1.584 0.000 -1.968) 2.526 11.593 ( -1.190 0.000 -0.770) 1.418 11.710 ( -1.720 0.000 3.154) 3.593 11.902 ( 3.855 0.000 -3.548) 5.240 12.002 ( 8.533 0.000 -3.160) 9.099 12.258 ( -0.366 0.000 -2.854) 2.877 12.449 ( -2.615 0.000 5.972) 6.519 12.617 ( 12.024 0.000 -5.535) 13.237 12.731 ( 1.338 0.000 -14.082) 14.145 14.721 ( -1.326 0.000 -1.037) 1.683 14.729 ( 1.938 0.000 1.407) 2.395 14.808 ( -5.354 0.000 -1.499) 5.560 14.849 ( -1.781 0.000 2.157) 2.798 14.905 ( 2.603 0.000 0.185) 2.610 14.970 ( 2.549 0.000 -1.685) 3.056 15.058 ( -2.023 0.000 2.682) 3.359 15.059 ( -1.869 0.000 -0.339) 1.899 15.194 ( -1.590 0.000 -6.244) 6.443 15.208 ( 2.356 0.000 -2.492) 3.429 15.288 ( 0.013 0.000 -0.026) 0.029 15.391 ( 3.298 0.000 -2.219) 3.975 15.398 ( -1.146 0.000 2.335) 2.601 15.475 ( -6.792 0.000 0.669) 6.825 15.509 ( 0.333 0.000 0.855) 0.917 15.609 ( -2.148 0.000 0.216) 2.159 15.790 ( 0.393 0.000 4.524) 4.541 15.870 ( 0.889 0.000 -2.082) 2.264 15.875 ( -4.519 0.000 1.464) 4.750 15.992 ( -0.382 0.000 1.982) 2.019 16.232 ( 4.589 0.000 2.006) 5.008 16.279 ( 4.171 0.000 -2.352) 4.789 16.290 ( -0.440 0.000 1.064) 1.151 16.353 ( 0.580 0.000 1.109) 1.252 16.421 ( 1.317 0.000 -0.489) 1.405 16.465 ( 0.120 0.000 0.823) 0.831 16.561 ( -1.845 0.000 1.479) 2.364 16.569 ( -2.030 0.000 2.306) 3.072 21.358 ( 14.932 0.000 18.159) 23.510 21.606 ( 4.016 0.000 -23.545) 23.885 21.827 ( -40.819 0.000 7.130) 41.437 22.398 ( -4.593 0.000 20.289) 20.803 25.251 ( -0.987 0.000 -2.180) 2.393 25.291 ( 2.523 0.000 0.968) 2.702 25.357 ( -4.132 0.000 0.885) 4.225 25.364 ( -4.705 0.000 -0.099) 4.706 25.496 ( 1.769 0.000 0.601) 1.868 25.545 ( -1.367 0.000 -0.039) 1.367 25.550 ( 2.272 0.000 0.036) 2.272 25.620 ( 1.110 0.000 0.437) 1.193 26.358 ( -0.203 0.000 0.342) 0.398 26.394 ( 1.090 0.000 -0.361) 1.148 26.550 ( -0.423 0.000 -0.709) 0.825 26.553 ( 1.949 0.000 1.541) 2.485 26.651 ( 9.137 0.000 -4.252) 10.078 26.695 ( 9.412 0.000 0.844) 9.450 26.788 ( 1.739 0.000 -0.584) 1.835 26.826 ( 0.234 0.000 -4.788) 4.793 27.201 ( -0.224 0.000 2.078) 2.090 27.239 ( 1.167 0.000 -1.503) 1.903 27.359 ( 0.062 0.000 -0.606) 0.609 27.395 ( 3.513 0.000 1.739) 3.920 27.524 ( -1.152 0.000 0.700) 1.348 27.530 ( 2.324 0.000 2.195) 3.196 27.629 ( -2.046 0.000 2.665) 3.360 27.697 ( -2.766 0.000 -2.285) 3.588 28.452 ( -4.354 0.000 -11.964) 12.732 28.748 ( 13.831 0.000 1.701) 13.935 28.879 ( -5.066 0.000 14.322) 15.192 29.149 ( -8.332 0.000 -9.497) 12.634 30.448 ( -3.681 0.000 0.537) 3.720 30.719 ( -3.718 0.000 -0.247) 3.726 30.788 ( 10.519 0.000 -6.637) 12.438 30.919 ( 1.893 0.000 -4.215) 4.620 ======================= Grid point 47 (18/50) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -28.786 0.000 9.840) 30.422 1.408 ( -31.487 0.000 8.101) 32.512 1.593 ( -4.046 0.000 1.875) 4.460 1.652 ( 1.516 0.000 11.965) 12.061 2.055 ( 23.754 0.000 -21.136) 31.795 2.126 ( 10.202 0.000 -18.674) 21.279 2.198 ( 14.569 0.000 -18.664) 23.677 2.265 ( -2.740 0.000 -12.144) 12.449 2.401 ( -19.310 0.000 17.025) 25.744 2.503 ( -24.908 0.000 18.427) 30.983 2.723 ( -1.429 0.000 7.591) 7.724 2.854 ( 3.040 0.000 4.481) 5.415 2.857 ( -5.248 0.000 -1.664) 5.506 2.883 ( 1.839 0.000 7.573) 7.793 2.978 ( -3.215 0.000 3.773) 4.957 3.126 ( 0.956 0.000 8.360) 8.415 3.140 ( -4.672 0.000 10.885) 11.846 3.403 ( -4.987 0.000 6.639) 8.303 3.404 ( -0.212 0.000 -3.422) 3.428 3.501 ( 2.894 0.000 -2.936) 4.123 3.501 ( 14.845 0.000 -30.673) 34.077 3.548 ( 7.282 0.000 -2.188) 7.604 3.610 ( 1.241 0.000 -3.935) 4.126 3.611 ( 0.135 0.000 7.228) 7.229 3.657 ( 1.336 0.000 4.891) 5.070 3.727 ( 9.152 0.000 4.019) 9.996 3.832 ( 6.832 0.000 -4.390) 8.120 3.852 ( 0.139 0.000 -1.673) 1.679 3.970 ( -5.358 0.000 -3.403) 6.347 4.026 ( 2.945 0.000 -5.525) 6.261 4.066 ( 4.988 0.000 3.079) 5.862 4.100 ( -2.063 0.000 2.957) 3.606 4.147 ( 1.999 0.000 0.298) 2.021 4.164 ( -5.499 0.000 3.165) 6.345 4.202 ( 5.984 0.000 1.794) 6.247 4.245 ( 1.765 0.000 -6.047) 6.299 4.260 ( 4.957 0.000 4.477) 6.679 4.329 ( 3.235 0.000 -3.035) 4.436 4.341 ( 1.415 0.000 -2.549) 2.915 4.359 ( 2.050 0.000 0.932) 2.251 4.384 ( -3.891 0.000 3.803) 5.441 4.505 ( 2.225 0.000 -4.594) 5.104 4.530 ( 8.225 0.000 12.021) 14.566 4.627 ( -2.521 0.000 -0.124) 2.524 4.688 ( 3.027 0.000 -6.199) 6.899 4.720 ( 3.957 0.000 -1.612) 4.273 4.727 ( -1.931 0.000 5.183) 5.531 4.789 ( 0.883 0.000 2.829) 2.964 4.837 ( -8.121 0.000 3.155) 8.713 4.912 ( -2.045 0.000 -0.019) 2.045 4.952 ( -0.919 0.000 -1.452) 1.718 5.008 ( -0.784 0.000 -2.640) 2.754 5.014 ( 3.932 0.000 -2.205) 4.508 5.025 ( 3.764 0.000 -1.657) 4.112 5.121 ( -2.481 0.000 -0.928) 2.649 5.140 ( 3.868 0.000 -1.697) 4.224 5.152 ( 3.389 0.000 6.930) 7.714 5.201 ( 3.431 0.000 1.234) 3.647 5.234 ( -7.282 0.000 0.596) 7.306 5.340 ( -7.262 0.000 -4.016) 8.299 5.354 ( 2.460 0.000 1.298) 2.781 5.436 ( -1.564 0.000 -3.594) 3.919 5.472 ( 0.122 0.000 -4.359) 4.361 5.486 ( -7.761 0.000 -1.868) 7.983 5.599 ( -1.253 0.000 1.997) 2.358 5.645 ( -0.587 0.000 -4.700) 4.736 5.722 ( 2.670 0.000 -4.174) 4.955 5.754 ( -0.205 0.000 -4.266) 4.271 5.800 ( 4.151 0.000 -3.724) 5.577 5.903 ( -5.319 0.000 9.534) 10.917 5.928 ( -0.190 0.000 -4.654) 4.658 5.976 ( -1.964 0.000 -6.247) 6.549 6.000 ( 5.712 0.000 7.345) 9.305 6.072 ( 0.904 0.000 3.633) 3.743 6.098 ( -2.503 0.000 -0.330) 2.525 6.144 ( -4.522 0.000 4.014) 6.046 6.187 ( -4.288 0.000 1.671) 4.602 6.252 ( -2.223 0.000 -0.338) 2.248 6.365 ( 5.413 0.000 2.156) 5.826 6.400 ( 7.644 0.000 2.667) 8.096 6.442 ( 0.355 0.000 1.525) 1.566 6.448 ( -0.795 0.000 -7.055) 7.100 6.462 ( -0.521 0.000 2.684) 2.734 6.503 ( -1.210 0.000 3.590) 3.789 6.532 ( -0.893 0.000 1.491) 1.738 6.659 ( -0.021 0.000 5.610) 5.610 6.716 ( 0.611 0.000 7.904) 7.928 6.793 ( 1.962 0.000 2.703) 3.340 6.822 ( 1.777 0.000 -0.923) 2.002 6.838 ( -5.298 0.000 -2.066) 5.687 7.013 ( -3.790 0.000 -10.231) 10.911 7.091 ( 0.888 0.000 -4.960) 5.039 7.109 ( 2.217 0.000 -0.192) 2.225 7.176 ( -0.688 0.000 1.147) 1.338 7.215 ( -6.669 0.000 -3.141) 7.372 7.285 ( -7.085 0.000 -8.356) 10.955 7.351 ( -4.058 0.000 6.922) 8.023 7.394 ( 1.850 0.000 -0.613) 1.949 7.470 ( 4.019 0.000 1.699) 4.364 7.534 ( -6.032 0.000 3.210) 6.833 7.622 ( 0.092 0.000 -2.840) 2.841 7.624 ( 6.363 0.000 -4.465) 7.773 7.724 ( -1.256 0.000 0.196) 1.271 7.739 ( 4.890 0.000 3.473) 5.998 7.831 ( -3.042 0.000 4.088) 5.095 7.993 ( 0.098 0.000 -3.344) 3.346 8.011 ( 4.523 0.000 -8.695) 9.801 8.012 ( 9.370 0.000 -1.947) 9.571 8.138 ( -4.114 0.000 8.023) 9.016 8.257 ( -6.736 0.000 8.967) 11.215 8.344 ( -8.380 0.000 7.986) 11.576 8.440 ( 6.311 0.000 -5.459) 8.345 8.479 ( 0.959 0.000 5.839) 5.917 8.636 ( 1.327 0.000 -1.370) 1.907 8.696 ( 0.706 0.000 7.974) 8.006 8.697 ( -4.737 0.000 -0.197) 4.741 8.807 ( 2.926 0.000 0.721) 3.013 8.992 ( -5.488 0.000 7.364) 9.184 9.020 ( -1.374 0.000 -3.313) 3.586 9.092 ( -1.666 0.000 -7.771) 7.948 9.110 ( -5.722 0.000 -5.480) 7.923 9.305 ( 1.783 0.000 -1.212) 2.156 9.323 ( -5.343 0.000 6.361) 8.307 9.596 ( -1.451 0.000 -1.310) 1.955 9.814 ( 6.777 0.000 -7.528) 10.129 9.862 ( 6.978 0.000 -9.162) 11.517 9.865 ( 11.264 0.000 -21.108) 23.925 9.944 ( 1.962 0.000 0.409) 2.004 10.155 ( -0.622 0.000 2.197) 2.283 10.169 ( 0.602 0.000 -0.512) 0.790 10.281 ( -4.020 0.000 2.976) 5.002 10.309 ( 10.414 0.000 -3.708) 11.054 10.520 ( -1.620 0.000 1.972) 2.552 10.594 ( 3.515 0.000 6.900) 7.743 10.671 ( -12.269 0.000 -1.563) 12.368 10.889 ( -6.729 0.000 1.858) 6.981 10.932 ( -8.185 0.000 10.822) 13.569 10.953 ( 3.401 0.000 1.724) 3.813 11.057 ( 1.956 0.000 2.665) 3.306 11.069 ( -1.601 0.000 4.256) 4.548 11.338 ( 2.454 0.000 1.808) 3.048 11.431 ( 4.625 0.000 4.204) 6.250 11.502 ( -5.806 0.000 -2.109) 6.177 11.556 ( 5.370 0.000 -2.217) 5.810 11.566 ( 5.147 0.000 0.167) 5.149 11.679 ( -4.773 0.000 3.577) 5.964 11.836 ( -3.385 0.000 -10.364) 10.903 12.056 ( 2.073 0.000 -5.198) 5.596 12.254 ( 2.661 0.000 -1.891) 3.264 12.454 ( -3.579 0.000 5.792) 6.809 12.536 ( -3.542 0.000 -15.333) 15.736 12.759 ( 9.203 0.000 -8.158) 12.298 14.746 ( 2.247 0.000 1.479) 2.690 14.753 ( -1.465 0.000 0.207) 1.480 14.780 ( 2.821 0.000 3.065) 4.165 14.902 ( 3.712 0.000 4.395) 5.753 14.935 ( -0.098 0.000 0.320) 0.335 14.996 ( 1.559 0.000 -1.358) 2.068 15.008 ( -3.520 0.000 -1.286) 3.748 15.045 ( 0.626 0.000 0.476) 0.786 15.122 ( 1.091 0.000 -3.068) 3.257 15.194 ( 0.424 0.000 -4.551) 4.571 15.294 ( 0.610 0.000 0.446) 0.756 15.406 ( -1.954 0.000 1.734) 2.612 15.415 ( 1.393 0.000 -2.890) 3.208 15.488 ( 5.157 0.000 5.534) 7.564 15.508 ( 0.851 0.000 -1.396) 1.635 15.566 ( -3.076 0.000 1.158) 3.287 15.812 ( -3.153 0.000 2.084) 3.779 15.872 ( 0.944 0.000 -1.158) 1.494 15.874 ( 1.466 0.000 6.024) 6.200 16.014 ( 0.171 0.000 2.249) 2.255 16.226 ( -3.869 0.000 -2.378) 4.541 16.261 ( -1.211 0.000 -3.545) 3.746 16.312 ( 0.119 0.000 0.975) 0.982 16.362 ( -0.660 0.000 -1.970) 2.078 16.452 ( 1.286 0.000 0.919) 1.581 16.477 ( -0.690 0.000 2.092) 2.203 16.539 ( -1.498 0.000 1.111) 1.865 16.547 ( -1.740 0.000 0.981) 1.998 21.288 ( -24.084 0.000 -2.862) 24.253 21.586 ( 16.649 0.000 -16.784) 23.641 21.880 ( 14.720 0.000 37.164) 39.973 22.411 ( -13.836 0.000 14.921) 20.348 25.255 ( 2.704 0.000 -0.138) 2.708 25.293 ( -2.281 0.000 -1.570) 2.769 25.348 ( 0.823 0.000 3.531) 3.625 25.357 ( 2.321 0.000 3.599) 4.282 25.507 ( -1.855 0.000 -1.487) 2.378 25.524 ( 0.615 0.000 0.302) 0.685 25.561 ( -0.487 0.000 -0.955) 1.072 25.595 ( -2.252 0.000 -2.976) 3.732 26.364 ( 0.095 0.000 0.898) 0.903 26.401 ( 0.101 0.000 -0.459) 0.470 26.554 ( 0.757 0.000 0.983) 1.240 26.578 ( -0.182 0.000 1.597) 1.608 26.721 ( -5.559 0.000 -4.235) 6.988 26.760 ( 7.153 0.000 -4.296) 8.344 26.781 ( 0.650 0.000 -4.094) 4.145 26.791 ( -0.566 0.000 -3.047) 3.099 27.185 ( -2.370 0.000 0.513) 2.425 27.235 ( 0.201 0.000 -1.914) 1.925 27.364 ( 0.404 0.000 -0.202) 0.452 27.425 ( -4.420 0.000 -2.718) 5.189 27.508 ( 1.343 0.000 2.455) 2.799 27.552 ( -2.293 0.000 0.056) 2.294 27.618 ( -1.317 0.000 2.514) 2.838 27.682 ( 3.143 0.000 0.591) 3.198 28.389 ( 8.896 0.000 -5.566) 10.494 28.839 ( -8.302 0.000 -20.587) 22.198 28.893 ( -7.298 0.000 10.638) 12.900 28.973 ( 5.890 0.000 5.858) 8.307 30.465 ( 1.792 0.000 5.256) 5.553 30.712 ( 2.019 0.000 2.320) 3.075 30.843 ( 3.081 0.000 -9.241) 9.741 30.890 ( 1.568 0.000 -5.106) 5.342 ======================= Grid point 48 (19/50) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -37.306 0.000 15.766) 40.501 0.905 ( -32.349 0.000 26.329) 41.709 1.394 ( -39.240 0.000 31.157) 50.105 1.590 ( -18.910 0.000 1.835) 18.999 1.744 ( 2.390 0.000 3.192) 3.987 2.090 ( -0.440 0.000 -8.129) 8.140 2.235 ( 8.961 0.000 -10.121) 13.518 2.359 ( 18.332 0.000 -6.985) 19.618 2.400 ( 22.024 0.000 -14.311) 26.265 2.680 ( -6.136 0.000 -3.572) 7.100 2.715 ( -5.161 0.000 29.674) 30.120 2.776 ( -7.101 0.000 -0.789) 7.145 2.979 ( 3.979 0.000 -1.984) 4.447 2.991 ( -0.900 0.000 3.595) 3.706 3.005 ( -6.185 0.000 -0.771) 6.233 3.076 ( 1.108 0.000 3.316) 3.497 3.196 ( 4.919 0.000 -3.979) 6.327 3.399 ( 3.148 0.000 0.664) 3.217 3.403 ( 0.732 0.000 -1.990) 2.120 3.525 ( 2.235 0.000 -2.035) 3.023 3.590 ( 10.912 0.000 -3.064) 11.335 3.592 ( -1.880 0.000 -2.683) 3.276 3.645 ( 3.665 0.000 4.972) 6.177 3.693 ( -1.151 0.000 -3.350) 3.543 3.702 ( -0.975 0.000 -0.229) 1.002 3.727 ( 2.463 0.000 3.517) 4.293 3.885 ( 13.454 0.000 -10.432) 17.024 3.897 ( -3.552 0.000 5.563) 6.600 3.906 ( -4.269 0.000 5.821) 7.219 3.993 ( -3.521 0.000 1.162) 3.708 4.087 ( 0.531 0.000 -3.608) 3.647 4.113 ( -0.259 0.000 -7.123) 7.128 4.151 ( 0.350 0.000 -1.182) 1.232 4.185 ( 2.926 0.000 0.921) 3.068 4.225 ( 3.311 0.000 -1.418) 3.602 4.289 ( -0.118 0.000 -0.800) 0.809 4.299 ( 1.427 0.000 3.518) 3.797 4.320 ( -8.668 0.000 -3.070) 9.195 4.350 ( 6.308 0.000 -7.319) 9.663 4.371 ( 1.647 0.000 3.724) 4.072 4.426 ( 0.341 0.000 0.576) 0.669 4.467 ( 0.864 0.000 0.168) 0.880 4.632 ( 0.701 0.000 -0.273) 0.752 4.671 ( 2.153 0.000 4.236) 4.752 4.681 ( 1.044 0.000 -8.317) 8.382 4.743 ( -2.473 0.000 -2.052) 3.214 4.789 ( 1.041 0.000 -4.263) 4.388 4.808 ( 1.931 0.000 -1.192) 2.269 4.884 ( -2.052 0.000 -2.790) 3.463 4.888 ( 2.601 0.000 -5.085) 5.711 4.930 ( -3.620 0.000 -4.552) 5.816 4.946 ( -7.840 0.000 -1.747) 8.032 5.006 ( 6.044 0.000 -2.789) 6.656 5.101 ( 0.284 0.000 0.009) 0.284 5.121 ( 7.340 0.000 2.571) 7.777 5.140 ( 7.535 0.000 7.315) 10.502 5.171 ( 2.935 0.000 3.129) 4.290 5.192 ( 0.467 0.000 -1.965) 2.020 5.251 ( 4.594 0.000 4.571) 6.481 5.292 ( -2.297 0.000 2.447) 3.356 5.325 ( 0.523 0.000 -8.511) 8.527 5.414 ( -6.294 0.000 3.937) 7.424 5.468 ( -5.726 0.000 -3.227) 6.573 5.545 ( 1.806 0.000 2.865) 3.387 5.564 ( 10.091 0.000 4.474) 11.038 5.624 ( 2.448 0.000 5.113) 5.669 5.664 ( -0.742 0.000 -6.966) 7.005 5.719 ( -0.142 0.000 -1.347) 1.355 5.806 ( -3.273 0.000 -2.105) 3.892 5.861 ( 2.346 0.000 -6.085) 6.522 5.944 ( 1.598 0.000 -2.070) 2.615 5.947 ( 2.368 0.000 1.696) 2.912 6.042 ( -11.539 0.000 -3.000) 11.922 6.084 ( 0.496 0.000 1.936) 1.999 6.101 ( -5.031 0.000 -0.401) 5.047 6.139 ( -2.873 0.000 9.880) 10.289 6.142 ( -2.412 0.000 2.493) 3.469 6.179 ( 3.380 0.000 -0.484) 3.414 6.324 ( 2.223 0.000 4.617) 5.124 6.368 ( -7.337 0.000 1.672) 7.525 6.422 ( -4.295 0.000 -3.650) 5.637 6.423 ( 1.795 0.000 -5.065) 5.373 6.516 ( 0.605 0.000 2.379) 2.455 6.603 ( 2.915 0.000 2.346) 3.742 6.626 ( 4.011 0.000 8.446) 9.350 6.710 ( -2.860 0.000 -4.491) 5.325 6.739 ( -1.129 0.000 10.018) 10.082 6.790 ( -1.272 0.000 -1.584) 2.032 6.846 ( 1.533 0.000 3.654) 3.962 6.888 ( -2.364 0.000 -5.518) 6.003 6.895 ( -1.945 0.000 9.117) 9.323 6.940 ( -2.558 0.000 -5.611) 6.167 7.085 ( 0.075 0.000 1.525) 1.527 7.181 ( -1.722 0.000 1.093) 2.040 7.215 ( 7.033 0.000 -1.214) 7.137 7.234 ( 4.232 0.000 -4.393) 6.100 7.265 ( -5.226 0.000 3.416) 6.244 7.421 ( 1.470 0.000 2.235) 2.675 7.473 ( -4.889 0.000 2.194) 5.359 7.561 ( 2.950 0.000 -1.047) 3.130 7.630 ( -2.075 0.000 -0.761) 2.210 7.664 ( -0.673 0.000 -1.228) 1.400 7.699 ( -3.517 0.000 -3.525) 4.980 7.784 ( 5.431 0.000 -0.162) 5.433 7.791 ( 4.010 0.000 5.183) 6.553 7.883 ( -7.537 0.000 -3.438) 8.284 8.020 ( 2.515 0.000 -7.382) 7.799 8.034 ( -3.694 0.000 -1.107) 3.856 8.106 ( -4.722 0.000 3.563) 5.916 8.262 ( -4.861 0.000 1.461) 5.075 8.384 ( 3.251 0.000 13.589) 13.972 8.501 ( 4.628 0.000 -6.874) 8.287 8.616 ( -4.703 0.000 6.420) 7.958 8.629 ( 5.714 0.000 9.432) 11.028 8.634 ( 2.194 0.000 -8.032) 8.326 8.828 ( 2.560 0.000 11.371) 11.656 8.890 ( 0.345 0.000 2.586) 2.609 8.924 ( -5.485 0.000 -2.427) 5.998 8.975 ( 1.427 0.000 -3.735) 3.998 9.017 ( 1.192 0.000 -4.594) 4.747 9.056 ( 3.832 0.000 5.201) 6.461 9.243 ( -4.632 0.000 3.141) 5.597 9.313 ( 0.391 0.000 -1.107) 1.174 9.492 ( -4.734 0.000 -4.767) 6.719 9.768 ( -3.872 0.000 -8.994) 9.792 9.876 ( 9.473 0.000 -12.098) 15.365 9.891 ( 4.678 0.000 -6.842) 8.288 10.012 ( 3.936 0.000 -5.755) 6.972 10.150 ( 0.188 0.000 -1.551) 1.562 10.170 ( 0.160 0.000 0.009) 0.161 10.249 ( -1.558 0.000 -2.084) 2.602 10.457 ( -6.675 0.000 -0.585) 6.700 10.484 ( 9.442 0.000 1.430) 9.550 10.546 ( -0.836 0.000 9.516) 9.553 10.717 ( -10.334 0.000 -3.117) 10.794 10.824 ( 11.259 0.000 14.141) 18.076 10.866 ( -2.894 0.000 2.256) 3.670 11.058 ( 0.624 0.000 1.516) 1.640 11.086 ( 0.031 0.000 0.058) 0.066 11.153 ( 5.040 0.000 3.188) 5.963 11.370 ( -6.547 0.000 -1.337) 6.682 11.401 ( -2.397 0.000 3.739) 4.441 11.460 ( -9.585 0.000 -8.181) 12.602 11.551 ( 2.479 0.000 7.143) 7.561 11.611 ( 1.208 0.000 -1.335) 1.800 11.657 ( -3.900 0.000 8.361) 9.226 11.746 ( 4.502 0.000 -7.373) 8.639 11.944 ( -7.588 0.000 -14.472) 16.340 12.276 ( -7.068 0.000 -11.167) 13.216 12.315 ( 3.140 0.000 3.041) 4.371 12.416 ( -6.077 0.000 3.704) 7.117 12.745 ( 1.341 0.000 -9.403) 9.498 14.745 ( 1.237 0.000 0.187) 1.251 14.819 ( 3.498 0.000 -0.071) 3.498 14.889 ( -3.219 0.000 -2.117) 3.852 14.901 ( 4.891 0.000 1.943) 5.263 14.958 ( -0.390 0.000 -0.983) 1.058 14.993 ( 0.371 0.000 3.208) 3.230 15.014 ( 1.446 0.000 -0.282) 1.473 15.062 ( 1.636 0.000 -1.950) 2.545 15.140 ( -1.255 0.000 -3.595) 3.808 15.176 ( 6.962 0.000 -3.306) 7.707 15.311 ( 0.566 0.000 -0.370) 0.676 15.399 ( 0.231 0.000 -1.635) 1.651 15.426 ( 0.969 0.000 3.156) 3.301 15.464 ( -3.343 0.000 -1.062) 3.508 15.577 ( 4.529 0.000 -2.953) 5.407 15.673 ( 7.353 0.000 3.533) 8.158 15.812 ( 1.006 0.000 4.684) 4.791 15.892 ( 2.268 0.000 -0.427) 2.307 15.993 ( 3.864 0.000 9.049) 9.839 16.006 ( -1.221 0.000 -3.033) 3.269 16.105 ( -6.336 0.000 -0.708) 6.375 16.245 ( 2.153 0.000 0.169) 2.160 16.269 ( -5.635 0.000 -0.416) 5.650 16.302 ( -3.338 0.000 -0.879) 3.452 16.452 ( -2.899 0.000 1.959) 3.499 16.466 ( -1.837 0.000 -0.353) 1.871 16.531 ( -0.772 0.000 0.548) 0.947 16.532 ( -0.704 0.000 1.949) 2.072 20.863 ( -18.522 0.000 0.753) 18.537 21.830 ( 19.881 0.000 -3.999) 20.279 22.213 ( -13.233 0.000 -3.938) 13.807 22.798 ( 40.140 0.000 42.945) 58.784 25.253 ( -0.200 0.000 -1.593) 1.606 25.341 ( 6.149 0.000 0.714) 6.191 25.435 ( 2.609 0.000 3.383) 4.273 25.438 ( -0.775 0.000 -1.715) 1.882 25.473 ( 3.180 0.000 7.376) 8.032 25.476 ( -3.549 0.000 -4.292) 5.569 25.531 ( -0.360 0.000 0.438) 0.567 25.534 ( -2.348 0.000 -1.467) 2.769 26.372 ( -0.313 0.000 0.735) 0.799 26.395 ( 0.089 0.000 -0.661) 0.667 26.536 ( -8.752 0.000 -1.451) 8.871 26.584 ( 0.757 0.000 1.060) 1.302 26.591 ( 0.200 0.000 -0.167) 0.261 26.710 ( -2.116 0.000 -1.952) 2.879 26.756 ( -1.608 0.000 -5.085) 5.333 26.826 ( 4.462 0.000 -4.191) 6.122 27.165 ( -0.714 0.000 2.929) 3.014 27.212 ( -0.427 0.000 -0.406) 0.590 27.370 ( 0.276 0.000 -1.488) 1.513 27.375 ( 1.884 0.000 1.572) 2.454 27.494 ( -4.907 0.000 0.735) 4.962 27.500 ( -2.891 0.000 2.368) 3.737 27.624 ( -0.954 0.000 1.492) 1.770 27.751 ( 3.416 0.000 -1.320) 3.662 28.234 ( -28.999 0.000 -29.889) 41.645 28.555 ( 5.627 0.000 5.804) 8.084 28.858 ( -4.272 0.000 3.763) 5.694 29.202 ( 11.601 0.000 7.857) 14.011 30.550 ( 0.242 0.000 4.547) 4.554 30.655 ( -9.790 0.000 -14.656) 17.625 30.792 ( 2.413 0.000 2.116) 3.209 30.892 ( 4.144 0.000 -6.633) 7.821 ======================= Grid point 49 (20/50) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 9.788 20.985 29.428) 37.445 1.223 ( -6.685 24.800 30.325) 39.741 1.589 ( 0.973 6.776 14.775) 16.284 1.938 ( -1.809 33.468 35.111) 48.541 2.059 ( 3.809 11.344 -0.452) 11.975 2.215 ( -0.918 10.403 -4.248) 11.274 2.289 ( -2.836 -2.235 -10.484) 11.089 2.416 ( 0.288 0.076 -5.570) 5.578 2.571 ( -0.095 16.704 -8.185) 18.602 2.629 ( 0.685 5.973 5.424) 8.097 2.785 ( -3.974 4.809 -14.542) 15.824 2.807 ( 0.314 6.510 2.518) 6.987 2.934 ( -6.670 3.765 1.600) 7.825 3.024 ( -1.090 4.712 -0.809) 4.904 3.108 ( 1.541 5.082 2.214) 5.754 3.158 ( -8.166 -0.618 -10.380) 13.222 3.198 ( 1.893 11.541 -2.371) 11.934 3.407 ( 0.105 0.935 -1.530) 1.796 3.471 ( 0.652 5.921 -5.819) 8.327 3.495 ( 2.296 0.694 -3.152) 3.961 3.546 ( 1.099 1.006 0.866) 1.723 3.605 ( -0.935 2.525 -5.105) 5.772 3.684 ( -2.798 -2.684 -0.431) 3.900 3.727 ( -8.375 0.277 0.641) 8.404 3.761 ( 3.126 2.181 -0.826) 3.900 3.793 ( -1.364 -3.091 -4.951) 5.994 3.908 ( 4.135 -0.372 -0.039) 4.152 3.926 ( 2.588 1.362 0.997) 3.090 3.931 ( 0.449 0.490 2.990) 3.063 3.964 ( -1.294 -3.219 -0.352) 3.487 4.053 ( 2.409 -1.264 -2.443) 3.656 4.116 ( 1.348 3.130 -0.319) 3.422 4.127 ( 2.220 0.303 -1.586) 2.745 4.174 ( 0.767 -3.363 2.632) 4.339 4.195 ( 3.009 -0.154 0.032) 3.013 4.229 ( 4.749 2.800 -2.229) 5.947 4.324 ( -4.019 1.493 -3.722) 5.678 4.329 ( 2.211 1.727 0.261) 2.817 4.444 ( -1.419 4.782 -0.873) 5.064 4.464 ( -5.787 0.098 -0.314) 5.796 4.509 ( 1.146 2.317 2.722) 3.754 4.538 ( 3.105 2.408 0.569) 3.971 4.579 ( 0.458 0.685 -3.243) 3.346 4.627 ( 1.567 1.625 -5.527) 5.970 4.689 ( -2.684 -4.877 -0.334) 5.577 4.718 ( 3.443 -1.860 6.563) 7.642 4.761 ( -3.520 3.150 -0.734) 4.781 4.791 ( 0.067 0.941 -3.232) 3.367 4.825 ( -0.748 2.008 -3.587) 4.179 4.860 ( -0.863 -0.173 1.596) 1.823 4.882 ( 2.726 -0.977 1.113) 3.103 4.965 ( -2.028 -2.109 -2.421) 3.798 4.999 ( -1.428 -3.435 -1.344) 3.956 5.071 ( 7.423 1.844 -1.352) 7.768 5.098 ( 1.421 -0.046 -1.698) 2.215 5.147 ( -5.947 0.029 -3.062) 6.689 5.198 ( -3.827 1.170 -5.636) 6.912 5.232 ( -4.842 1.312 -1.830) 5.340 5.263 ( 4.618 1.039 2.461) 5.335 5.273 ( 1.926 1.736 5.182) 5.794 5.326 ( -0.365 2.929 -7.246) 7.824 5.483 ( 0.075 4.590 -2.319) 5.143 5.547 ( -1.738 4.026 -0.316) 4.396 5.621 ( -0.442 3.313 3.431) 4.790 5.657 ( 2.091 4.638 -5.242) 7.305 5.679 ( 1.661 1.942 -0.474) 2.599 5.741 ( -1.696 -0.240 -1.712) 2.422 5.776 ( 2.386 -3.920 4.298) 6.287 5.826 ( 1.463 2.233 0.800) 2.787 5.850 ( 3.944 2.329 6.000) 7.549 5.906 ( 1.933 3.251 -0.032) 3.783 5.947 ( 0.534 2.078 3.584) 4.177 6.044 ( -4.819 0.194 5.391) 7.234 6.071 ( -0.431 -2.238 0.297) 2.299 6.132 ( 1.122 2.116 -3.019) 3.854 6.164 ( 2.256 -1.650 4.204) 5.048 6.208 ( 4.092 4.570 0.942) 6.205 6.253 ( -2.294 -2.646 -3.997) 5.315 6.257 ( -5.960 3.178 2.546) 7.218 6.345 ( -1.660 3.190 6.701) 7.605 6.407 ( 4.725 5.002 2.487) 7.317 6.424 ( -2.915 0.428 -1.847) 3.478 6.538 ( -0.949 3.911 1.530) 4.305 6.549 ( -5.393 0.498 -1.945) 5.755 6.617 ( -4.390 1.495 -5.952) 7.545 6.626 ( -3.527 -1.064 2.781) 4.616 6.769 ( 6.240 0.641 3.977) 7.428 6.807 ( -4.531 -3.187 1.765) 5.814 6.842 ( 0.351 1.044 -1.779) 2.093 6.888 ( -0.050 -1.226 1.853) 2.222 6.958 ( 1.120 -0.341 1.080) 1.593 7.023 ( 2.404 -0.293 -2.058) 3.178 7.067 ( 6.674 2.397 0.605) 7.117 7.182 ( -0.509 -0.053 -0.034) 0.513 7.215 ( 5.021 -9.212 2.827) 10.865 7.306 ( 5.480 4.923 2.353) 7.733 7.365 ( -3.159 4.834 -0.999) 5.861 7.442 ( -3.947 3.608 4.467) 6.968 7.521 ( 5.374 -1.509 -1.003) 5.672 7.593 ( -1.425 -2.206 -4.758) 5.434 7.622 ( -2.778 5.988 -3.413) 7.431 7.649 ( 0.965 1.692 -3.607) 4.099 7.705 ( -5.565 4.574 0.584) 7.227 7.762 ( -1.702 4.050 0.966) 4.498 7.877 ( -3.761 1.223 -5.992) 7.180 7.983 ( 0.429 1.222 -3.492) 3.724 8.044 ( -0.967 -1.540 3.238) 3.714 8.096 ( 0.726 -2.922 0.632) 3.077 8.219 ( 4.104 11.917 -1.321) 12.673 8.242 ( 0.505 -3.377 2.549) 4.260 8.343 ( -1.762 1.125 -6.324) 6.661 8.378 ( 5.790 -6.326 -1.819) 8.767 8.489 ( -1.294 -1.376 -0.262) 1.907 8.543 ( 0.137 -5.544 -6.061) 8.215 8.713 ( 0.040 0.223 -8.064) 8.067 8.742 ( -3.716 2.697 4.733) 6.594 8.826 ( -1.062 -0.889 -1.018) 1.719 9.024 ( 5.273 0.964 -1.753) 5.640 9.104 ( -3.806 2.769 4.159) 6.281 9.143 ( -2.780 2.639 8.939) 9.727 9.177 ( 2.016 9.143 5.612) 10.915 9.249 ( -4.162 4.774 6.014) 8.734 9.448 ( 3.346 3.442 -1.811) 5.131 9.506 ( -3.467 9.631 0.671) 10.258 9.796 ( 8.413 -6.377 -4.358) 11.421 9.850 ( 2.596 -3.134 -7.702) 8.711 9.875 ( 0.456 -8.024 -3.469) 8.754 9.895 ( 0.575 -2.955 -4.645) 5.535 10.002 ( 2.406 -5.357 -3.841) 7.017 10.147 ( 2.052 -1.342 0.890) 2.608 10.222 ( 0.083 -6.378 -4.757) 7.958 10.282 ( -4.542 -5.400 -0.693) 7.090 10.423 ( -2.898 0.972 9.225) 9.718 10.489 ( 1.425 -9.781 6.524) 11.843 10.741 ( -1.296 -3.833 2.805) 4.923 10.807 ( 0.746 3.557 5.174) 6.323 10.873 ( 0.805 -1.455 2.896) 3.340 11.046 ( 3.741 -0.580 3.601) 5.225 11.090 ( 4.759 -6.438 3.438) 8.713 11.176 ( -5.586 2.067 -3.226) 6.774 11.196 ( -8.453 1.231 -8.959) 12.379 11.285 ( -4.007 -9.707 -3.354) 11.024 11.411 ( 4.482 -5.742 0.901) 7.340 11.453 ( 5.126 -11.071 3.311) 12.641 11.531 ( 2.066 -8.432 4.670) 9.858 11.583 ( -8.740 -7.772 4.939) 12.696 11.636 ( 4.007 0.017 9.360) 10.182 11.922 ( 1.222 1.063 -2.020) 2.589 12.246 ( 9.703 -9.630 7.979) 15.828 12.292 ( -3.513 -3.676 -0.074) 5.085 12.379 ( 1.123 -3.754 4.033) 5.624 12.594 ( 3.364 -1.785 -6.814) 7.806 14.720 ( -3.343 -3.548 -3.296) 5.884 14.744 ( 0.374 -4.141 -3.618) 5.512 14.821 ( -1.241 0.018 -2.156) 2.488 14.847 ( 2.820 -4.021 -3.844) 6.237 14.872 ( -2.075 -1.387 -0.399) 2.528 14.955 ( -4.340 -1.105 -1.358) 4.680 15.021 ( -0.291 -0.776 4.141) 4.223 15.121 ( -4.418 2.154 -1.123) 5.041 15.168 ( 3.997 1.964 0.058) 4.453 15.250 ( 6.203 0.618 -3.676) 7.237 15.301 ( 1.886 1.325 -0.150) 2.310 15.386 ( -0.149 1.193 -2.381) 2.667 15.467 ( -1.229 -0.662 2.734) 3.070 15.498 ( -4.343 1.104 2.932) 5.355 15.545 ( 0.649 3.756 0.050) 3.812 15.670 ( 1.088 0.631 1.028) 1.625 15.759 ( -0.158 2.166 -1.965) 2.928 15.897 ( -3.759 0.177 -3.653) 5.244 16.047 ( 2.480 4.893 -1.689) 5.740 16.063 ( -2.437 5.198 -2.659) 6.327 16.131 ( 0.527 3.305 6.184) 7.032 16.245 ( -2.156 1.167 4.058) 4.741 16.256 ( 1.667 -1.777 1.123) 2.683 16.329 ( 2.688 0.784 2.739) 3.917 16.703 ( 2.511 26.445 2.373) 26.670 16.799 ( -3.679 28.316 -0.052) 28.554 16.866 ( 0.489 27.492 7.799) 28.581 17.862 ( 0.773 67.117 -61.552) 91.071 20.826 ( 9.156 -8.130 14.783) 19.196 21.643 ( -5.018 -20.757 -14.853) 26.013 21.887 ( 4.973 -28.115 6.360) 29.251 21.942 ( -27.974 -49.375 17.976) 59.528 25.284 ( 0.752 3.140 -1.058) 3.398 25.374 ( -3.795 2.922 -3.765) 6.093 25.396 ( -1.017 0.797 1.308) 1.838 25.463 ( 0.865 3.751 -1.835) 4.264 25.546 ( 3.233 5.355 2.506) 6.739 25.614 ( -0.171 7.692 1.499) 7.838 25.695 ( 0.479 10.346 1.269) 10.434 25.921 ( -7.817 16.626 -12.316) 22.118 26.360 ( -0.575 -0.448 0.190) 0.754 26.383 ( -0.064 -0.343 -1.033) 1.090 26.466 ( 2.513 0.224 1.147) 2.772 26.537 ( -0.041 0.414 -1.390) 1.451 26.588 ( -0.755 0.257 0.649) 1.028 26.612 ( 1.359 0.793 0.405) 1.625 26.745 ( 1.859 1.933 0.878) 2.822 26.857 ( 2.124 0.538 -3.937) 4.505 27.065 ( 2.580 -7.716 6.590) 10.470 27.149 ( 1.676 -4.803 3.143) 5.979 27.248 ( -1.207 -7.067 1.137) 7.259 27.368 ( -1.570 -1.560 -2.190) 3.113 27.377 ( 1.457 -5.038 6.133) 8.070 27.543 ( -1.305 -0.572 -0.076) 1.427 27.589 ( -0.695 -3.229 3.366) 4.716 27.738 ( 0.574 -3.090 -2.217) 3.846 28.688 ( 15.656 24.002 -6.353) 29.352 28.761 ( -3.217 12.458 2.235) 13.060 28.999 ( -2.362 15.261 3.259) 15.783 29.422 ( 0.840 5.679 -8.011) 9.855 30.116 ( 5.352 -25.345 21.438) 33.625 30.394 ( -3.719 -13.097 -0.460) 13.622 30.710 ( -0.968 -11.345 -2.568) 11.673 30.780 ( 3.112 -11.490 -5.688) 13.193 ======================= Grid point 50 (21/50) ======================= q-point: ( 0.25 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 2.259 12.521 22.427) 25.785 1.620 ( 3.557 20.713 23.170) 31.282 1.868 ( 6.794 10.977 11.250) 17.124 1.996 ( -3.673 15.764 -4.023) 16.679 2.101 ( -0.269 3.594 -11.496) 12.048 2.156 ( 2.219 0.456 -7.558) 7.890 2.340 ( 9.242 10.317 -5.766) 15.004 2.420 ( -3.384 3.623 1.521) 5.186 2.461 ( 0.593 9.685 1.482) 9.815 2.578 ( 3.156 11.471 -9.573) 15.270 2.727 ( -3.169 7.946 7.019) 11.066 2.799 ( -1.759 -5.957 5.473) 8.279 2.843 ( -7.750 -1.829 1.267) 8.063 2.870 ( -1.854 7.724 4.724) 9.241 3.049 ( -0.541 7.780 6.037) 9.862 3.166 ( 2.036 5.758 6.413) 8.856 3.234 ( -4.563 11.781 10.700) 16.556 3.312 ( -8.929 -0.970 -1.947) 9.190 3.444 ( 5.881 5.335 -13.237) 15.436 3.490 ( 1.633 2.450 0.077) 2.946 3.542 ( -6.812 0.729 3.715) 7.793 3.588 ( 2.741 2.774 -3.913) 5.524 3.615 ( 1.427 0.654 -2.602) 3.038 3.637 ( 4.441 -4.364 -5.886) 8.568 3.739 ( -0.249 3.476 -0.969) 3.617 3.828 ( 3.803 1.982 -7.038) 8.242 3.862 ( -12.923 2.421 -1.302) 13.213 3.938 ( 1.537 -1.311 -1.453) 2.489 3.968 ( 1.512 -0.860 2.085) 2.716 4.027 ( 2.662 -3.189 0.633) 4.202 4.054 ( 4.907 2.706 -6.786) 8.801 4.126 ( -3.190 1.402 -0.710) 3.556 4.134 ( 0.475 1.139 -0.476) 1.323 4.144 ( 1.858 2.070 -5.962) 6.579 4.210 ( -1.881 1.184 -2.006) 2.994 4.237 ( 1.892 0.341 -3.041) 3.598 4.277 ( 1.751 2.115 1.865) 3.319 4.331 ( -1.928 2.335 -0.924) 3.166 4.354 ( 0.848 2.491 -3.078) 4.049 4.405 ( -4.341 2.629 1.541) 5.304 4.449 ( -4.710 5.584 -1.546) 7.467 4.543 ( -6.999 9.012 2.871) 11.767 4.596 ( 0.043 -0.771 -0.957) 1.230 4.636 ( -1.445 -3.835 6.969) 8.084 4.662 ( -1.072 2.621 -1.599) 3.252 4.683 ( -2.784 -2.336 3.148) 4.808 4.713 ( -4.464 0.474 0.615) 4.531 4.746 ( -0.862 0.832 -4.350) 4.512 4.838 ( 3.192 -2.813 5.067) 6.616 4.898 ( -1.632 -3.363 0.883) 3.841 4.899 ( 4.267 2.025 0.696) 4.774 4.954 ( 4.921 -0.365 -1.316) 5.107 5.009 ( -1.516 0.471 -4.465) 4.738 5.062 ( -1.166 0.653 -2.618) 2.939 5.093 ( 0.807 -0.735 -1.591) 1.930 5.118 ( -2.671 -1.027 -1.120) 3.072 5.154 ( 5.169 3.069 -0.561) 6.037 5.191 ( 0.164 5.842 3.749) 6.943 5.283 ( 6.575 -0.124 -1.016) 6.654 5.367 ( 4.341 1.891 -0.103) 4.736 5.423 ( 1.258 -0.444 -2.909) 3.200 5.458 ( -1.435 2.757 1.516) 3.458 5.549 ( -0.035 3.434 -0.692) 3.504 5.605 ( 0.753 4.142 -0.790) 4.284 5.628 ( 0.640 3.504 -0.480) 3.595 5.693 ( 0.676 1.591 0.089) 1.731 5.701 ( 1.582 -1.592 -2.493) 3.355 5.760 ( -2.422 1.045 1.099) 2.858 5.869 ( -0.639 1.566 -2.054) 2.661 5.885 ( -2.285 -2.850 3.671) 5.179 5.931 ( -0.777 0.781 -0.917) 1.433 5.978 ( 0.000 -1.260 4.798) 4.961 6.017 ( -3.210 -2.292 0.667) 4.000 6.106 ( 0.608 0.644 -1.516) 1.756 6.131 ( -3.629 3.323 2.311) 5.436 6.181 ( -1.771 6.659 0.739) 6.930 6.224 ( 4.253 1.293 -2.447) 5.074 6.237 ( -1.908 0.103 -0.081) 1.912 6.287 ( 3.640 1.506 3.591) 5.330 6.352 ( 2.298 0.849 -1.218) 2.736 6.376 ( -2.248 3.071 -2.038) 4.317 6.412 ( -0.646 3.319 2.377) 4.133 6.515 ( -4.506 0.228 1.417) 4.729 6.540 ( -2.008 0.182 2.202) 2.986 6.592 ( -0.421 2.717 0.591) 2.812 6.672 ( 1.400 5.457 8.246) 9.987 6.700 ( 3.560 4.012 -0.443) 5.382 6.781 ( 0.217 -0.925 -2.276) 2.466 6.879 ( -1.383 -1.170 -2.021) 2.714 6.889 ( -0.838 0.660 -4.101) 4.237 7.024 ( 4.565 -5.648 0.022) 7.262 7.067 ( 2.380 2.588 -4.239) 5.507 7.137 ( 1.489 1.476 0.587) 2.177 7.190 ( 3.881 -2.390 0.543) 4.590 7.255 ( -0.509 4.394 1.873) 4.804 7.379 ( -1.073 3.449 -0.961) 3.737 7.407 ( 5.709 -5.466 1.187) 7.992 7.458 ( -2.461 0.686 2.074) 3.290 7.512 ( 0.419 7.249 -0.138) 7.263 7.550 ( 0.909 4.103 -0.184) 4.206 7.605 ( -0.266 -2.548 3.415) 4.269 7.680 ( 1.925 -0.313 0.948) 2.169 7.739 ( 3.170 0.429 -1.412) 3.497 7.755 ( -5.466 3.058 -0.504) 6.283 7.792 ( 2.809 0.862 0.569) 2.993 7.926 ( -0.779 1.727 2.154) 2.869 7.986 ( -0.183 -2.623 -5.286) 5.904 8.120 ( -1.038 1.870 2.296) 3.138 8.131 ( -5.992 -1.822 -1.879) 6.539 8.227 ( -3.445 -0.784 -1.293) 3.762 8.285 ( -0.754 4.487 2.558) 5.220 8.417 ( -3.720 -2.811 -2.187) 5.150 8.484 ( 2.437 0.847 -6.410) 6.909 8.530 ( 2.118 -7.443 1.760) 7.936 8.613 ( -1.769 0.632 -3.628) 4.085 8.724 ( -2.227 3.748 3.578) 5.640 8.787 ( -0.786 -0.798 -2.203) 2.472 9.082 ( -5.114 3.030 6.617) 8.895 9.105 ( 2.756 -0.071 -2.205) 3.531 9.144 ( -3.634 5.205 3.452) 7.226 9.210 ( 0.289 -0.735 3.779) 3.860 9.313 ( 0.973 6.413 9.861) 11.803 9.452 ( -1.580 9.656 -0.817) 9.819 9.571 ( 3.325 0.450 1.098) 3.531 9.761 ( 0.412 -6.534 -7.515) 9.966 9.796 ( 6.952 -5.996 -14.717) 17.346 9.808 ( -1.461 -7.075 -3.552) 8.050 9.925 ( 2.604 -3.721 -1.638) 4.828 10.026 ( 0.465 -4.749 0.276) 4.780 10.129 ( -2.489 -5.852 -4.031) 7.530 10.227 ( 5.751 -1.130 -5.124) 7.785 10.325 ( 6.653 -0.599 2.178) 7.026 10.425 ( -3.765 -3.826 5.002) 7.337 10.617 ( 2.119 3.292 2.283) 4.532 10.741 ( -3.896 -7.136 12.342) 14.779 10.844 ( -3.685 4.916 0.939) 6.215 10.936 ( 2.189 -1.919 4.871) 5.674 11.001 ( -3.354 2.615 -4.921) 6.504 11.036 ( -1.531 2.445 -3.866) 4.823 11.109 ( 0.829 -1.329 1.722) 2.328 11.238 ( 2.529 -7.973 5.518) 10.020 11.242 ( 1.461 -10.261 -1.846) 10.528 11.367 ( -4.873 -4.288 -3.247) 7.258 11.503 ( -0.166 -12.145 -2.590) 12.420 11.540 ( 3.491 -2.136 0.222) 4.098 11.575 ( -3.849 -5.830 4.530) 8.326 11.871 ( 8.007 -8.034 3.697) 11.930 11.913 ( 0.148 -2.249 -1.602) 2.765 12.246 ( 0.188 -2.758 -1.774) 3.285 12.395 ( -1.955 -5.492 1.309) 5.975 12.518 ( 8.999 -13.504 -1.016) 16.260 12.589 ( 4.901 -3.798 -7.823) 9.982 14.622 ( -2.939 -4.940 0.437) 5.765 14.695 ( -0.802 -2.962 -0.102) 3.071 14.782 ( -1.408 -4.980 -2.263) 5.648 14.837 ( -1.894 1.749 -1.137) 2.817 14.866 ( 0.722 1.016 1.900) 2.272 14.922 ( 1.531 -2.520 0.063) 2.949 15.015 ( -3.913 0.167 0.402) 3.937 15.049 ( -1.980 -0.903 2.794) 3.541 15.191 ( 0.643 -0.232 -3.169) 3.241 15.278 ( -0.389 3.733 -3.262) 4.973 15.329 ( 0.073 -0.143 -2.787) 2.792 15.356 ( 3.169 2.565 -0.436) 4.100 15.468 ( -0.628 5.537 0.521) 5.597 15.499 ( 0.030 1.222 2.631) 2.901 15.573 ( 0.563 2.045 3.127) 3.779 15.644 ( -1.930 1.465 -1.718) 2.970 15.760 ( -0.316 0.417 2.164) 2.226 15.846 ( -0.565 -1.213 0.739) 1.529 15.969 ( -2.792 2.932 -3.979) 5.677 16.060 ( 0.561 5.753 0.456) 5.798 16.197 ( 0.846 0.150 2.392) 2.541 16.231 ( -2.492 0.126 1.585) 2.956 16.319 ( 2.975 -1.091 0.338) 3.186 16.389 ( 0.958 2.868 0.578) 3.079 16.725 ( -1.137 24.917 -1.776) 25.006 16.855 ( 5.361 35.412 6.122) 36.335 16.963 ( 3.327 33.326 7.027) 34.221 17.252 ( -12.716 51.561 -23.055) 57.894 21.181 ( 10.637 -15.706 15.833) 24.708 21.434 ( 2.780 -16.390 -18.513) 24.881 21.505 ( -27.548 -26.124 8.664) 38.941 22.045 ( -2.234 -30.822 12.479) 33.328 25.275 ( -1.119 2.630 -0.974) 3.019 25.313 ( -0.306 2.370 0.922) 2.561 25.370 ( -0.987 3.789 -0.140) 3.918 25.490 ( 0.842 3.047 -0.016) 3.162 25.553 ( -3.685 8.976 -2.079) 9.924 25.611 ( 1.323 5.959 1.608) 6.312 25.649 ( -2.987 9.957 0.497) 10.408 25.805 ( -0.209 12.638 -0.334) 12.644 26.354 ( -0.181 -0.374 0.371) 0.557 26.391 ( 1.249 -0.355 -0.469) 1.380 26.547 ( 0.969 0.046 -0.829) 1.276 26.569 ( 0.925 1.151 1.284) 1.956 26.634 ( 8.687 -1.287 -1.855) 8.975 26.712 ( 8.893 0.768 -0.306) 8.932 26.789 ( 1.337 0.611 -0.480) 1.546 26.832 ( -0.126 0.599 -4.351) 4.394 27.117 ( -2.623 -6.162 0.936) 6.762 27.183 ( 2.050 -5.510 0.623) 5.912 27.288 ( 0.527 -5.801 1.365) 5.983 27.337 ( 2.387 -5.154 -0.409) 5.694 27.472 ( 1.948 -3.349 5.844) 7.012 27.497 ( -2.645 -3.156 -2.407) 4.769 27.609 ( -1.395 -2.442 2.564) 3.805 27.703 ( -1.061 -0.988 -2.190) 2.626 28.649 ( -3.587 16.421 -7.384) 18.359 28.902 ( 9.702 12.928 0.944) 16.192 28.999 ( -5.317 10.875 8.663) 14.886 29.266 ( -5.632 10.213 -7.690) 13.970 30.298 ( -2.665 -13.698 -0.251) 13.957 30.465 ( 9.114 -20.134 4.857) 22.628 30.651 ( -0.276 -12.439 -3.233) 12.855 30.759 ( -0.026 -13.813 -4.235) 14.447 ======================= Grid point 51 (22/50) ======================= q-point: (-0.50 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -15.587 11.971 9.566) 21.858 1.572 ( -20.370 13.591 3.380) 24.720 1.814 ( -22.115 20.548 1.157) 30.210 1.992 ( 5.823 16.777 9.476) 20.129 2.093 ( 12.980 8.881 -14.655) 21.497 2.215 ( 8.872 0.981 -7.221) 11.481 2.296 ( -1.017 -0.772 -2.526) 2.830 2.406 ( 6.249 19.356 -10.834) 23.045 2.446 ( -0.194 9.896 -1.552) 10.019 2.554 ( -14.211 6.143 6.671) 16.858 2.804 ( 9.210 7.663 6.397) 13.582 2.830 ( -12.864 1.441 2.072) 13.109 2.905 ( -1.350 -2.693 7.794) 8.356 2.953 ( 1.139 -0.160 10.359) 10.423 3.012 ( 0.173 6.230 10.186) 11.942 3.088 ( 1.204 5.235 3.918) 6.649 3.222 ( -5.153 8.197 5.443) 11.107 3.346 ( 2.668 -3.001 3.207) 5.139 3.437 ( -1.355 -6.363 -2.806) 7.085 3.470 ( 5.863 3.172 -7.113) 9.749 3.553 ( 2.436 5.036 -11.373) 12.674 3.574 ( -0.772 -1.135 2.739) 3.063 3.595 ( 8.080 6.200 -4.689) 11.212 3.687 ( 0.427 1.959 -0.247) 2.020 3.724 ( 5.699 -0.675 -1.992) 6.075 3.756 ( -0.979 4.276 0.023) 4.386 3.850 ( 4.717 7.422 -1.250) 8.882 3.919 ( -0.619 3.112 -5.930) 6.725 4.010 ( -2.361 -4.619 1.127) 5.309 4.053 ( -0.799 0.148 -3.254) 3.354 4.082 ( 1.126 -1.177 -2.448) 2.941 4.083 ( -1.787 3.952 -0.897) 4.429 4.148 ( 4.895 -0.506 -1.257) 5.079 4.171 ( 0.905 0.798 -1.270) 1.751 4.214 ( 3.256 5.214 0.383) 6.160 4.250 ( 0.471 -0.471 -1.304) 1.465 4.283 ( 3.884 0.473 -2.019) 4.403 4.305 ( -1.140 2.105 1.493) 2.821 4.370 ( 1.198 2.810 4.126) 5.133 4.405 ( 5.703 1.390 4.765) 7.560 4.434 ( -0.168 4.303 1.104) 4.446 4.505 ( -0.621 1.061 -1.586) 2.007 4.572 ( 2.482 1.753 8.205) 8.750 4.604 ( -4.121 -2.699 2.237) 5.411 4.657 ( -5.294 -1.232 7.255) 9.066 4.674 ( 2.216 -0.908 -0.614) 2.472 4.741 ( 2.923 -0.585 0.318) 2.998 4.779 ( 3.853 2.104 0.087) 4.391 4.824 ( -4.410 -1.109 -1.492) 4.786 4.891 ( -1.091 -3.186 -2.377) 4.122 4.903 ( -0.243 3.481 2.900) 4.537 4.958 ( 2.200 -1.783 -3.219) 4.288 5.013 ( 0.669 -0.474 -2.419) 2.554 5.080 ( 0.349 0.119 -0.418) 0.557 5.100 ( 5.279 0.734 0.011) 5.330 5.147 ( 0.833 2.980 3.062) 4.353 5.222 ( -3.062 1.465 0.414) 3.420 5.228 ( -0.720 2.668 -1.474) 3.132 5.334 ( -1.694 5.117 -5.196) 7.486 5.342 ( 3.841 2.874 -2.137) 5.251 5.379 ( -1.371 1.353 -0.848) 2.105 5.428 ( -0.374 0.435 -3.196) 3.247 5.500 ( 0.427 4.915 -3.204) 5.883 5.526 ( -4.670 1.598 -1.385) 5.126 5.632 ( -0.281 2.969 0.910) 3.118 5.729 ( 4.240 0.331 -1.693) 4.577 5.748 ( -3.194 8.213 -3.227) 9.385 5.770 ( 3.568 4.481 0.057) 5.729 5.815 ( -4.174 -5.022 7.460) 9.915 5.898 ( -2.639 1.104 1.472) 3.217 5.945 ( -1.548 -0.232 -3.832) 4.139 5.959 ( -0.272 0.011 1.077) 1.111 6.002 ( -1.386 -2.621 2.225) 3.707 6.043 ( -1.293 4.765 -0.662) 4.981 6.105 ( 1.214 2.521 1.807) 3.331 6.196 ( -1.776 -0.415 -1.401) 2.300 6.204 ( 1.736 2.009 1.559) 3.079 6.239 ( -1.092 3.284 -0.910) 3.578 6.332 ( -0.266 -2.511 4.133) 4.843 6.392 ( 4.824 -0.250 1.635) 5.100 6.424 ( -4.207 -1.459 3.867) 5.898 6.451 ( 0.274 1.080 -1.504) 1.872 6.472 ( 3.236 2.758 2.211) 4.793 6.545 ( 2.101 1.289 -1.116) 2.706 6.562 ( -1.368 2.656 0.769) 3.085 6.663 ( -0.880 3.156 -3.141) 4.539 6.765 ( -6.986 -1.223 2.068) 7.387 6.798 ( 0.566 -0.016 0.120) 0.579 6.830 ( 1.245 -0.165 -2.488) 2.787 6.856 ( 3.352 3.650 0.473) 4.978 6.940 ( -1.061 -2.639 -7.448) 7.972 7.140 ( -0.168 -1.933 1.071) 2.217 7.172 ( -0.006 2.146 -0.073) 2.147 7.205 ( -5.730 -0.063 -3.453) 6.690 7.255 ( 0.374 0.475 0.375) 0.711 7.298 ( -0.573 -0.651 -4.290) 4.377 7.380 ( -4.967 1.514 -6.131) 8.035 7.441 ( 1.336 6.598 4.790) 8.262 7.538 ( 0.404 3.578 -0.394) 3.622 7.584 ( -3.495 -0.386 0.985) 3.652 7.610 ( 4.895 5.116 -0.168) 7.082 7.679 ( 2.055 1.073 -0.776) 2.445 7.726 ( -2.283 -2.457 2.166) 3.993 7.792 ( -1.041 1.081 4.652) 4.888 7.855 ( 1.441 2.971 5.002) 5.994 7.955 ( 1.552 -0.695 -0.076) 1.702 8.048 ( 4.750 3.183 -3.950) 6.950 8.084 ( 3.275 1.096 0.185) 3.458 8.126 ( -2.821 -5.862 5.674) 8.632 8.140 ( -1.710 -4.810 -2.115) 5.525 8.265 ( -3.665 0.008 1.135) 3.836 8.371 ( 1.620 4.107 0.417) 4.434 8.473 ( 3.744 -4.328 -2.235) 6.144 8.606 ( 2.806 -4.111 2.656) 5.641 8.607 ( 3.749 3.496 0.054) 5.126 8.724 ( 0.492 -1.754 -4.236) 4.612 8.776 ( 0.821 4.773 2.941) 5.666 9.038 ( -4.724 3.647 6.116) 8.545 9.073 ( -1.381 0.474 -4.069) 4.323 9.131 ( -4.380 2.709 1.773) 5.447 9.211 ( -2.624 9.687 -0.770) 10.066 9.326 ( -6.287 2.804 3.544) 7.743 9.402 ( -0.746 4.574 -3.655) 5.903 9.593 ( -0.253 -1.573 0.438) 1.652 9.725 ( 3.855 -7.840 -5.803) 10.488 9.816 ( 4.587 -2.223 -3.876) 6.404 9.845 ( 7.817 -5.156 -4.998) 10.615 9.933 ( 2.052 -2.206 -2.783) 4.101 10.066 ( 1.543 -7.005 1.539) 7.336 10.090 ( 0.905 -4.887 -0.176) 4.973 10.231 ( 1.372 -6.830 -5.060) 8.611 10.337 ( -1.759 3.809 -1.956) 4.629 10.532 ( 3.669 -1.614 6.285) 7.454 10.656 ( 1.160 6.619 0.410) 6.732 10.685 ( -9.342 -2.073 0.088) 9.570 10.769 ( -6.414 -7.339 6.803) 11.887 10.900 ( -1.839 -1.519 -3.877) 4.552 10.951 ( -4.458 -3.829 1.229) 6.004 11.059 ( 3.145 -0.818 1.964) 3.797 11.143 ( -1.082 3.747 1.987) 4.377 11.266 ( 1.542 -4.102 3.978) 5.918 11.284 ( 4.473 -14.223 -1.022) 14.945 11.401 ( 2.323 -1.787 4.920) 5.726 11.418 ( -3.684 -13.124 -6.641) 15.163 11.554 ( -1.680 -1.068 5.097) 5.472 11.628 ( 4.286 -1.536 -0.737) 4.612 11.818 ( -6.607 -5.570 -3.488) 9.319 11.986 ( 0.863 -5.190 1.075) 5.370 12.241 ( 1.832 -1.559 -3.187) 3.993 12.373 ( -2.538 -8.095 1.970) 8.709 12.456 ( -4.119 -9.030 -11.432) 15.139 12.620 ( 3.487 -7.767 -7.015) 11.032 14.643 ( 2.084 -4.270 3.730) 6.041 14.735 ( -1.308 -4.883 -0.590) 5.090 14.747 ( 2.799 -2.502 3.385) 5.055 14.841 ( 3.917 0.295 1.763) 4.306 14.891 ( 0.290 -2.298 -0.063) 2.317 14.956 ( 0.237 -0.950 2.819) 2.985 14.973 ( -1.154 -0.135 -0.670) 1.341 15.052 ( 0.323 1.366 2.196) 2.607 15.154 ( 0.192 -0.101 -4.261) 4.267 15.217 ( -0.838 2.342 -3.473) 4.272 15.364 ( 3.595 1.014 -0.767) 3.813 15.375 ( 0.092 2.443 -2.226) 3.307 15.468 ( -0.297 3.129 1.717) 3.581 15.522 ( 0.730 4.537 0.527) 4.625 15.584 ( -2.564 3.080 2.186) 4.565 15.605 ( -1.573 1.354 1.295) 2.447 15.785 ( -0.900 -1.063 1.080) 1.762 15.859 ( 1.301 1.205 2.517) 3.079 15.937 ( 3.157 0.557 -0.796) 3.303 16.079 ( 1.122 6.200 -0.096) 6.301 16.187 ( -2.260 0.831 -0.266) 2.422 16.225 ( -1.002 -1.419 1.975) 2.630 16.326 ( -1.450 -0.813 -1.993) 2.595 16.356 ( -2.503 4.531 -2.809) 5.889 16.715 ( 0.756 23.374 0.283) 23.388 16.876 ( -6.537 31.663 -3.010) 32.471 16.951 ( -6.732 35.476 3.752) 36.303 17.285 ( 26.387 52.296 0.179) 58.576 21.114 ( -19.866 -15.521 -0.402) 25.214 21.414 ( 13.430 -16.119 -13.421) 24.906 21.560 ( 6.549 -26.234 27.112) 38.291 22.058 ( -8.536 -30.854 8.923) 33.233 25.279 ( 2.039 1.793 0.475) 2.756 25.315 ( -0.863 2.785 0.354) 2.937 25.383 ( 1.363 3.975 2.510) 4.895 25.470 ( -0.125 8.235 0.408) 8.246 25.543 ( 1.115 3.507 -0.870) 3.781 25.591 ( -1.759 7.638 -2.376) 8.190 25.642 ( -0.958 7.485 2.713) 8.019 25.804 ( 1.290 13.532 -0.812) 13.617 26.361 ( 0.054 -0.347 0.896) 0.963 26.401 ( 0.250 -0.144 -0.594) 0.661 26.554 ( 0.603 0.076 0.747) 0.963 26.587 ( -0.011 0.747 0.965) 1.220 26.722 ( -5.050 0.253 -3.515) 6.158 26.746 ( 3.970 -1.609 -2.979) 5.217 26.778 ( 0.233 -0.056 -4.314) 4.320 26.807 ( 0.966 1.415 -3.241) 3.667 27.077 ( -1.041 -7.209 0.592) 7.308 27.188 ( -2.131 -4.908 -3.566) 6.430 27.266 ( -0.575 -7.373 2.187) 7.712 27.384 ( -4.025 -4.606 -2.959) 6.795 27.449 ( 2.022 -3.804 4.004) 5.882 27.555 ( -1.094 -1.156 0.017) 1.592 27.573 ( -0.757 -3.770 3.225) 5.019 27.697 ( 1.715 -0.294 -0.522) 1.817 28.597 ( 5.203 17.352 -3.252) 18.405 28.926 ( -6.526 9.176 -4.819) 12.248 29.063 ( 5.301 11.751 0.739) 12.912 29.111 ( -3.525 13.089 -0.246) 13.558 30.316 ( 1.953 -13.446 4.313) 14.256 30.537 ( -6.002 -16.606 0.665) 17.670 30.631 ( 2.738 -15.844 -4.772) 16.772 30.737 ( 3.616 -13.237 -3.381) 14.132 ======================= Grid point 52 (23/50) ======================= q-point: (-0.25 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -27.632 20.675 6.451) 35.108 1.270 ( -24.494 25.443 18.193) 39.728 1.555 ( -9.086 7.354 7.326) 13.796 1.917 ( -33.847 39.770 27.276) 58.917 2.066 ( 2.629 12.579 -11.205) 17.050 2.174 ( 4.674 6.490 0.079) 7.998 2.337 ( 10.842 0.776 -9.340) 14.331 2.367 ( 5.295 -2.904 3.162) 6.817 2.548 ( 6.879 21.409 -6.820) 23.499 2.661 ( 3.233 6.022 3.691) 7.768 2.711 ( 0.631 -1.018 4.166) 4.334 2.923 ( -2.418 8.916 -0.713) 9.265 2.985 ( -0.125 4.474 4.606) 6.422 3.038 ( -0.617 1.596 0.654) 1.832 3.051 ( 2.170 5.403 -0.810) 5.878 3.175 ( -1.644 11.304 -1.525) 11.524 3.266 ( 6.843 2.114 0.990) 7.230 3.403 ( 3.394 0.203 -1.868) 3.879 3.460 ( 4.081 0.084 -0.048) 4.082 3.484 ( 4.488 -1.128 -2.362) 5.195 3.532 ( 0.865 -0.142 -8.285) 8.331 3.640 ( 3.542 -1.776 2.239) 4.551 3.710 ( 0.275 -0.942 -0.309) 1.028 3.716 ( 4.260 3.972 1.185) 5.944 3.755 ( 2.402 6.222 -1.698) 6.883 3.796 ( 1.550 -1.685 2.590) 3.457 3.811 ( -0.089 2.951 -2.470) 3.850 3.934 ( 6.648 2.239 -5.716) 9.049 3.939 ( -0.556 0.206 2.484) 2.554 3.966 ( -4.017 -3.875 1.373) 5.748 4.061 ( 0.229 -4.263 -2.580) 4.988 4.098 ( -0.577 1.310 -0.931) 1.707 4.105 ( -3.862 -4.589 -4.317) 7.390 4.158 ( 1.610 0.959 -3.011) 3.546 4.224 ( -2.330 1.636 -1.531) 3.232 4.276 ( -1.458 -1.664 -0.965) 2.414 4.309 ( -0.631 1.976 -1.847) 2.777 4.321 ( 5.569 2.348 -2.137) 6.410 4.418 ( 2.199 2.876 -0.149) 3.623 4.439 ( -1.924 4.027 4.278) 6.182 4.487 ( 0.191 4.874 2.939) 5.695 4.547 ( 1.720 7.147 2.421) 7.740 4.579 ( -0.122 -4.539 3.111) 5.504 4.632 ( 2.126 -3.112 -3.152) 4.913 4.656 ( -0.061 -0.648 2.849) 2.923 4.728 ( -0.818 -5.278 -0.452) 5.360 4.778 ( -3.837 -1.751 -1.145) 4.370 4.795 ( 0.620 1.044 0.739) 1.421 4.849 ( 2.342 0.544 -5.294) 5.814 4.890 ( 4.148 -1.121 -3.074) 5.283 4.899 ( -0.221 -2.236 0.739) 2.365 4.998 ( -1.748 1.637 -7.435) 7.812 5.018 ( 1.943 0.229 0.157) 1.963 5.045 ( 2.364 -1.230 2.420) 3.600 5.080 ( 2.386 2.686 -3.172) 4.792 5.105 ( -2.302 1.134 -0.519) 2.618 5.197 ( 0.239 1.875 0.958) 2.119 5.245 ( -1.689 2.216 -0.048) 2.787 5.321 ( -0.217 1.650 1.336) 2.134 5.359 ( -0.062 3.741 -4.510) 5.861 5.390 ( 6.677 1.721 3.333) 7.659 5.427 ( 0.641 5.289 -2.743) 5.993 5.501 ( 5.114 0.345 4.642) 6.915 5.587 ( 3.554 2.897 1.826) 4.935 5.616 ( -5.918 8.574 -3.612) 11.027 5.677 ( 1.853 3.986 3.207) 5.441 5.718 ( -3.134 4.269 -4.934) 7.238 5.733 ( 0.417 0.265 -1.240) 1.334 5.807 ( -4.841 -2.139 2.332) 5.783 5.885 ( 4.124 3.176 -3.093) 6.055 5.907 ( 0.318 3.094 2.952) 4.288 5.963 ( -6.532 -1.828 -1.617) 6.973 5.999 ( 2.869 0.541 2.152) 3.627 6.056 ( -2.548 -1.366 2.661) 3.930 6.103 ( -1.204 1.885 2.849) 3.622 6.147 ( -0.883 1.047 0.050) 1.371 6.203 ( -1.188 3.666 -0.072) 3.855 6.262 ( -0.519 3.590 3.020) 4.720 6.322 ( 0.280 3.911 4.168) 5.722 6.375 ( -3.562 -3.077 -1.131) 4.841 6.403 ( -3.733 2.164 -2.137) 4.815 6.456 ( -2.660 -2.439 3.072) 4.739 6.554 ( -1.210 -1.100 1.160) 2.005 6.608 ( 5.628 2.975 -1.175) 6.474 6.615 ( 2.822 -3.299 2.669) 5.096 6.655 ( -2.529 -0.578 2.400) 3.534 6.663 ( 5.817 -1.299 -0.848) 6.021 6.771 ( 0.985 -1.066 -4.801) 5.015 6.858 ( -1.190 -0.627 0.845) 1.589 6.873 ( -2.844 2.992 7.854) 8.873 6.958 ( -2.152 2.667 -0.215) 3.434 6.990 ( 1.649 1.347 -5.475) 5.874 7.123 ( -2.228 -0.926 0.006) 2.413 7.150 ( -2.316 -2.046 -1.761) 3.557 7.180 ( -0.946 -5.439 -2.675) 6.135 7.268 ( 0.065 2.152 -5.285) 5.706 7.356 ( -0.656 6.314 3.416) 7.209 7.500 ( -6.690 4.678 2.939) 8.676 7.556 ( 2.573 2.619 -2.350) 4.360 7.592 ( 1.724 -6.041 0.755) 6.327 7.649 ( 1.631 -0.190 0.479) 1.710 7.694 ( -2.344 3.931 1.748) 4.899 7.744 ( 4.792 5.551 -4.521) 8.615 7.801 ( 3.573 3.187 -0.453) 4.810 7.875 ( 2.026 3.662 3.296) 5.327 7.968 ( 3.958 8.470 -0.944) 9.397 8.023 ( -5.652 -0.683 -2.308) 6.143 8.093 ( 1.449 -2.036 -2.086) 3.255 8.149 ( -2.670 -4.988 2.527) 6.196 8.176 ( 2.072 -12.593 5.329) 13.831 8.226 ( 3.722 9.654 -3.067) 10.792 8.452 ( 1.050 5.212 4.146) 6.742 8.553 ( 3.328 -12.814 -4.136) 13.870 8.620 ( 0.636 5.151 -11.444) 12.566 8.693 ( 6.468 1.578 -2.382) 7.071 8.730 ( 2.497 -6.034 1.705) 6.749 8.837 ( 0.301 3.685 2.513) 4.470 9.003 ( -0.067 2.117 -3.594) 4.172 9.076 ( -0.264 10.949 9.789) 14.689 9.094 ( 0.083 3.018 3.524) 4.640 9.151 ( -2.733 9.991 2.903) 10.757 9.219 ( -5.520 -0.033 1.510) 5.723 9.401 ( 3.722 4.138 -1.049) 5.663 9.535 ( -3.598 1.764 -0.221) 4.014 9.796 ( 5.472 -3.752 -0.919) 6.698 9.801 ( -1.148 0.436 -7.241) 7.344 9.906 ( 3.234 -3.287 -4.626) 6.532 9.932 ( 2.765 -5.996 -5.634) 8.679 10.067 ( -2.169 -7.422 -4.361) 8.878 10.115 ( 0.574 -4.523 2.050) 4.999 10.269 ( -0.047 0.035 -4.917) 4.917 10.298 ( 6.587 -7.600 4.336) 10.952 10.462 ( -11.007 -1.867 -1.365) 11.248 10.563 ( -13.072 -9.354 7.125) 17.582 10.705 ( 0.881 -7.770 -0.207) 7.822 10.733 ( 2.770 8.128 5.225) 10.052 10.846 ( -2.123 -3.207 0.934) 3.958 10.958 ( -0.833 -7.734 4.454) 8.964 11.075 ( -2.611 -3.912 -2.951) 5.553 11.173 ( 5.312 1.941 3.074) 6.437 11.285 ( 0.011 -7.715 -3.670) 8.543 11.346 ( 1.199 -1.147 4.468) 4.766 11.381 ( 2.697 -9.907 -0.097) 10.268 11.449 ( -0.874 -6.170 0.332) 6.240 11.526 ( -8.356 3.375 -1.793) 9.189 11.589 ( -5.094 -4.662 4.438) 8.209 11.721 ( -8.140 -7.942 5.084) 12.457 11.925 ( -2.319 -0.354 -4.340) 4.934 12.166 ( -5.577 -7.187 -2.551) 9.448 12.303 ( 2.777 -3.141 1.208) 4.363 12.368 ( -4.540 -5.801 2.227) 7.696 12.603 ( 3.062 -2.826 -6.588) 7.795 14.711 ( 2.089 -0.957 -0.065) 2.299 14.748 ( 4.189 -5.762 -1.311) 7.243 14.837 ( 0.625 -4.303 1.936) 4.760 14.873 ( -0.414 -2.942 -2.707) 4.020 14.908 ( -0.091 0.297 -0.429) 0.529 14.962 ( 1.754 -1.180 1.721) 2.726 15.024 ( 0.925 -1.218 2.132) 2.624 15.081 ( 2.791 1.982 -0.556) 3.468 15.149 ( 2.673 2.274 -1.380) 3.771 15.183 ( 2.196 1.007 -3.584) 4.322 15.320 ( -2.098 0.030 -2.441) 3.219 15.395 ( -0.035 2.526 -0.041) 2.526 15.496 ( -0.438 0.797 -0.059) 0.911 15.534 ( 0.391 2.854 -0.172) 2.886 15.542 ( -3.797 0.735 3.186) 5.011 15.609 ( 0.552 2.082 2.983) 3.679 15.776 ( 1.143 1.402 -1.935) 2.649 15.939 ( 5.172 2.561 -0.881) 5.838 16.016 ( -0.305 3.236 5.068) 6.021 16.081 ( 1.431 3.129 -5.954) 6.876 16.126 ( -3.288 4.284 1.783) 5.687 16.220 ( -1.025 -0.927 2.891) 3.204 16.280 ( -2.603 -0.122 -0.842) 2.738 16.287 ( -1.309 2.556 0.938) 3.021 16.708 ( -3.326 23.857 0.106) 24.088 16.786 ( 0.725 25.035 2.053) 25.130 16.884 ( -6.720 31.488 4.285) 32.481 17.889 ( 50.412 66.741 -33.260) 90.010 20.779 ( -15.237 -7.769 2.664) 17.309 21.609 ( 15.992 -20.298 -3.984) 26.146 21.918 ( -8.650 -27.852 -2.465) 29.268 21.962 ( -1.625 -49.643 33.345) 59.824 25.289 ( 0.149 2.957 -1.638) 3.383 25.355 ( 3.336 0.603 1.030) 3.543 25.444 ( 0.926 3.167 2.145) 3.936 25.483 ( 0.522 4.948 -1.110) 5.098 25.514 ( -2.591 5.614 -2.355) 6.617 25.567 ( 1.349 6.880 1.297) 7.130 25.662 ( 0.637 10.025 2.092) 10.261 25.903 ( 12.452 16.546 -1.615) 20.771 26.367 ( -0.400 -0.506 0.711) 0.960 26.393 ( -0.037 -0.249 -0.771) 0.811 26.538 ( -7.617 0.127 -1.413) 7.748 26.584 ( -0.160 -0.032 -0.074) 0.179 26.594 ( -0.345 0.350 0.880) 1.007 26.683 ( -4.713 -1.751 -1.197) 5.168 26.769 ( 0.475 0.517 -2.411) 2.511 26.835 ( 4.281 0.683 -4.028) 5.918 27.030 ( -7.550 -8.660 2.179) 11.694 27.113 ( -0.689 -5.445 -0.233) 5.493 27.281 ( -2.855 -6.438 2.062) 7.339 27.310 ( -0.481 -3.501 1.913) 4.018 27.440 ( -3.980 -1.995 -0.370) 4.467 27.540 ( 0.125 -2.456 1.641) 2.956 27.592 ( -1.916 -1.757 2.160) 3.380 27.731 ( 2.255 -2.894 -1.572) 3.991 28.677 ( -1.537 25.606 -21.408) 33.412 28.710 ( 3.522 13.558 5.212) 14.946 29.023 ( -2.408 15.011 0.527) 15.212 29.268 ( 9.746 5.949 6.022) 12.909 30.218 ( -22.697 -23.656 3.035) 32.924 30.414 ( -0.126 -13.110 3.075) 13.467 30.697 ( 4.083 -11.704 -0.577) 12.409 30.769 ( 4.467 -11.337 -5.826) 13.507 ======================= Grid point 53 (24/50) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 6.044 22.911 14.105) 27.575 1.713 ( -6.854 10.385 9.946) 15.929 1.825 ( 0.025 26.098 12.245) 28.828 2.089 ( 2.106 4.631 0.068) 5.088 2.186 ( -5.966 -4.810 5.557) 9.466 2.334 ( 7.128 0.863 -0.799) 7.224 2.454 ( -5.400 4.321 -11.846) 13.717 2.524 ( -7.739 0.586 0.122) 7.762 2.705 ( -1.332 1.912 7.821) 8.160 2.767 ( -1.814 7.404 10.297) 12.812 2.846 ( -3.342 4.677 -1.737) 6.005 3.053 ( -3.213 10.251 -8.083) 13.444 3.110 ( 0.225 8.159 -3.577) 8.911 3.127 ( 1.772 1.592 -16.787) 16.956 3.169 ( -1.285 6.806 -3.009) 7.551 3.230 ( -0.138 1.480 0.690) 1.639 3.395 ( 0.084 -1.266 -1.760) 2.170 3.443 ( 5.670 2.290 -2.304) 6.535 3.477 ( 6.076 1.407 -0.574) 6.264 3.554 ( 0.476 1.621 -3.554) 3.935 3.602 ( -2.041 1.387 -2.756) 3.700 3.629 ( -0.896 -3.601 -2.062) 4.246 3.635 ( -4.449 -0.919 -1.589) 4.813 3.714 ( 4.249 -3.330 -3.526) 6.448 3.761 ( 0.065 4.504 1.706) 4.817 3.777 ( -2.727 1.389 1.294) 3.323 3.871 ( -2.109 -4.001 -5.021) 6.757 3.910 ( -1.952 -1.718 1.335) 2.923 3.939 ( 3.770 2.768 1.804) 5.013 3.982 ( -0.287 4.789 -0.135) 4.800 4.056 ( 6.961 -3.066 0.150) 7.608 4.065 ( 2.756 4.243 0.478) 5.082 4.158 ( 1.436 0.458 -0.210) 1.522 4.226 ( -1.019 4.290 -2.585) 5.111 4.257 ( 0.369 3.974 -1.623) 4.309 4.302 ( 4.751 7.043 0.674) 8.522 4.352 ( -0.509 0.623 1.599) 1.790 4.380 ( -2.960 0.615 3.182) 4.389 4.440 ( -2.244 -1.979 -3.541) 4.636 4.476 ( 0.401 -2.423 1.259) 2.760 4.510 ( -5.209 -0.539 2.638) 5.863 4.560 ( -1.467 0.172 7.286) 7.434 4.597 ( -2.171 3.304 4.462) 5.961 4.619 ( -3.609 1.254 6.192) 7.276 4.655 ( 0.564 2.056 4.183) 4.695 4.701 ( 4.702 -0.870 0.265) 4.789 4.801 ( -1.089 2.934 0.007) 3.130 4.835 ( -0.963 0.065 3.002) 3.154 4.837 ( -0.263 -0.691 -0.262) 0.785 4.913 ( -0.642 6.131 1.954) 6.467 4.921 ( -4.342 1.157 0.165) 4.497 4.991 ( 2.070 2.664 -1.420) 3.660 5.011 ( 0.651 4.515 0.348) 4.575 5.075 ( -2.319 -1.537 -0.497) 2.826 5.129 ( 0.937 2.261 -3.823) 4.540 5.143 ( 1.737 -0.086 1.325) 2.187 5.178 ( 2.623 2.567 -5.574) 6.674 5.271 ( -2.458 2.765 -4.548) 5.863 5.288 ( 4.961 4.446 -4.471) 8.023 5.384 ( -5.322 3.892 4.882) 8.204 5.423 ( -0.009 6.675 -8.913) 11.136 5.527 ( 0.973 2.999 -3.273) 4.544 5.635 ( 8.340 5.412 -2.489) 10.249 5.702 ( 3.231 1.143 -0.685) 3.495 5.725 ( -2.990 5.125 3.647) 6.965 5.787 ( -3.154 4.942 0.633) 5.897 5.792 ( 1.325 2.449 0.493) 2.828 5.833 ( -1.890 6.369 3.836) 7.671 5.882 ( 3.614 2.397 -2.170) 4.849 5.917 ( -1.743 4.752 -1.637) 5.319 5.935 ( 0.122 1.437 1.165) 1.854 6.022 ( 4.788 4.388 0.727) 6.535 6.049 ( -4.422 0.634 2.003) 4.896 6.059 ( -6.931 3.297 3.140) 8.293 6.111 ( 6.499 -2.319 0.159) 6.902 6.168 ( -4.087 -1.795 -1.274) 4.643 6.221 ( -1.521 -0.059 1.933) 2.460 6.259 ( 2.856 2.181 -0.787) 3.679 6.344 ( -2.619 1.739 7.233) 7.887 6.393 ( 0.005 2.612 4.041) 4.811 6.457 ( 1.379 3.076 1.352) 3.633 6.516 ( -1.473 1.889 -1.165) 2.663 6.547 ( -2.404 2.178 0.757) 3.331 6.593 ( 5.558 -1.075 -1.765) 5.929 6.623 ( 4.203 2.885 2.200) 5.552 6.662 ( 0.742 2.681 -0.936) 2.935 6.728 ( -0.134 -1.369 1.033) 1.720 6.786 ( -2.855 2.287 -1.394) 3.915 6.842 ( 1.100 -4.897 -1.327) 5.192 6.873 ( 0.763 -0.343 0.789) 1.150 6.904 ( 4.143 1.342 -1.633) 4.651 7.025 ( -2.164 -1.105 -2.049) 3.178 7.050 ( 0.677 1.201 0.745) 1.567 7.200 ( 4.635 5.230 -2.056) 7.284 7.274 ( 1.470 4.995 1.033) 5.309 7.335 ( 6.100 -0.616 -2.992) 6.822 7.416 ( 0.237 -5.400 -4.743) 7.191 7.455 ( -4.355 -2.498 2.324) 5.533 7.507 ( -4.155 1.509 2.535) 5.096 7.522 ( -0.726 -6.174 -2.886) 6.854 7.547 ( 0.841 2.188 1.767) 2.936 7.710 ( -5.010 -5.638 -1.519) 7.693 7.774 ( -4.617 -0.325 -5.779) 7.404 7.815 ( -0.757 4.482 -0.907) 4.635 7.833 ( -3.800 -1.033 4.444) 5.937 7.912 ( -1.042 -3.045 1.246) 3.451 7.994 ( -1.261 3.622 3.421) 5.139 8.082 ( 6.025 0.313 4.759) 7.684 8.164 ( 1.302 -6.344 -4.002) 7.613 8.219 ( -4.090 -2.133 -0.838) 4.688 8.272 ( 7.308 -7.801 -4.539) 11.613 8.326 ( 5.033 0.394 0.679) 5.094 8.676 ( -0.482 14.720 -3.365) 15.108 8.729 ( -0.376 4.322 -7.146) 8.360 8.789 ( 1.640 8.634 -4.741) 9.985 8.842 ( 0.317 7.740 -4.904) 9.168 8.915 ( 0.611 5.368 -0.447) 5.421 9.035 ( -0.426 -0.269 0.659) 0.830 9.119 ( -4.231 -0.201 3.476) 5.480 9.189 ( -4.128 3.517 3.643) 6.534 9.318 ( 0.359 4.318 3.774) 5.746 9.374 ( 3.327 0.311 3.305) 4.700 9.412 ( -4.122 -4.220 7.956) 9.905 9.603 ( 2.094 -12.772 0.549) 12.954 9.641 ( 3.870 -1.193 -2.172) 4.596 9.722 ( -0.476 -4.413 -5.596) 7.143 9.743 ( -3.411 -3.461 -2.863) 5.640 9.848 ( -2.615 0.126 -4.546) 5.246 9.923 ( 4.709 -4.690 3.074) 7.322 10.022 ( 1.195 -7.740 -0.181) 7.834 10.082 ( -2.373 -6.776 2.856) 7.727 10.157 ( -2.617 -7.964 -1.443) 8.506 10.301 ( 1.835 -5.121 3.700) 6.578 10.408 ( -3.321 -5.386 1.819) 6.584 10.623 ( 9.387 -3.617 5.805) 11.615 10.769 ( 2.164 -6.487 0.510) 6.858 10.888 ( 2.922 1.493 1.003) 3.432 10.956 ( 1.387 -7.056 -3.257) 7.895 11.071 ( -1.153 -4.287 -5.656) 7.190 11.105 ( 3.600 1.916 4.485) 6.062 11.178 ( -4.854 -0.368 -1.252) 5.026 11.266 ( -5.418 -0.805 0.197) 5.481 11.295 ( 3.770 -1.810 -0.632) 4.230 11.356 ( -6.202 -2.535 -1.026) 6.778 11.374 ( -3.713 -3.910 3.361) 6.354 11.452 ( -3.613 -3.702 2.752) 5.859 11.681 ( 3.004 3.990 8.547) 9.899 11.897 ( -0.204 -1.927 -2.430) 3.108 12.047 ( 2.252 -9.134 6.867) 11.647 12.187 ( 1.001 -6.323 2.763) 6.973 12.250 ( -0.771 -8.448 1.495) 8.614 12.584 ( 5.185 -1.431 -13.069) 14.133 14.619 ( -2.048 -3.147 -1.870) 4.194 14.713 ( 1.053 -0.056 -3.641) 3.790 14.772 ( 2.939 -1.145 -1.446) 3.470 14.817 ( -1.408 -0.992 -2.793) 3.281 14.902 ( -0.310 2.180 0.498) 2.258 14.965 ( -3.705 2.324 -0.377) 4.390 15.050 ( -2.407 4.494 3.810) 6.365 15.202 ( 0.494 3.677 -1.337) 3.943 15.222 ( -3.301 4.707 -1.506) 5.943 15.282 ( 6.876 2.623 -1.431) 7.497 15.349 ( 2.016 3.407 0.610) 4.005 15.431 ( 1.426 3.976 -2.137) 4.734 15.493 ( -4.388 2.058 0.314) 4.857 15.518 ( 0.719 0.314 0.856) 1.161 15.579 ( -0.341 0.357 0.717) 0.871 15.670 ( 0.180 -0.357 0.057) 0.404 15.787 ( 1.496 -0.204 -1.451) 2.094 15.902 ( -4.886 0.072 -4.274) 6.491 16.112 ( 2.565 1.889 0.498) 3.224 16.142 ( -0.181 2.298 -1.384) 2.689 16.177 ( -5.563 0.203 3.361) 6.503 16.200 ( 3.747 -2.901 1.815) 5.075 16.274 ( -3.047 0.767 2.155) 3.810 16.376 ( 4.546 1.825 2.534) 5.515 17.422 ( 3.478 41.514 3.352) 41.794 17.517 ( -2.674 39.825 -0.300) 39.916 17.600 ( -0.062 41.814 12.226) 43.565 18.788 ( 0.240 30.362 -43.535) 53.078 20.610 ( 3.737 -12.679 10.348) 16.787 21.037 ( -11.519 -35.182 11.284) 38.701 21.135 ( -2.621 -30.597 -4.720) 31.070 21.262 ( 4.051 -33.584 -1.343) 33.854 25.360 ( 0.492 3.981 -0.672) 4.067 25.429 ( -1.129 2.931 1.131) 3.338 25.468 ( -1.654 4.722 -3.900) 6.344 25.558 ( -0.695 4.906 -3.222) 5.910 25.685 ( 2.562 7.675 3.599) 8.856 25.786 ( 0.004 8.336 3.154) 8.912 25.876 ( -0.052 6.971 1.663) 7.167 26.126 ( -2.226 5.587 -6.722) 9.020 26.345 ( -0.441 -0.911 0.386) 1.084 26.371 ( 0.216 -0.719 -0.764) 1.071 26.471 ( 2.520 0.343 1.189) 2.807 26.549 ( -1.466 0.623 -2.128) 2.658 26.592 ( -0.297 0.122 1.489) 1.523 26.622 ( 0.302 0.273 0.848) 0.940 26.786 ( 1.706 1.435 1.256) 2.559 26.867 ( 2.145 -0.036 -2.651) 3.411 26.939 ( 3.007 -4.511 5.659) 7.837 27.038 ( 0.638 -5.318 3.933) 6.645 27.126 ( -3.951 -4.732 0.656) 6.199 27.276 ( 0.955 -5.089 2.282) 5.658 27.321 ( 0.594 -2.905 -2.109) 3.639 27.483 ( -2.221 -4.701 -1.419) 5.389 27.510 ( -0.846 -4.451 4.175) 6.161 27.636 ( 1.242 -6.671 -1.368) 6.922 29.040 ( -1.538 13.956 2.537) 14.267 29.085 ( 5.422 15.107 -4.312) 16.619 29.337 ( -2.336 14.854 0.034) 15.037 29.559 ( 6.245 6.472 -5.020) 10.300 29.772 ( -2.312 -8.288 14.072) 16.494 30.077 ( -3.108 -16.211 -0.939) 16.533 30.411 ( -0.803 -15.954 -1.588) 16.053 30.495 ( 1.487 -15.034 -5.132) 15.955 ======================= Grid point 54 (25/50) ======================= q-point: ( 0.25 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -3.989 6.518 9.207) 11.965 1.951 ( 1.235 10.015 16.590) 19.418 2.041 ( 10.811 -3.849 9.756) 15.062 2.110 ( -4.448 13.006 -1.729) 13.854 2.174 ( 5.706 6.632 -6.065) 10.646 2.323 ( 4.681 8.045 12.825) 15.847 2.397 ( -1.462 4.985 -6.966) 8.690 2.499 ( 7.242 2.920 2.798) 8.295 2.606 ( -8.559 -3.870 4.304) 10.333 2.699 ( -3.468 1.829 -10.255) 10.979 2.795 ( -5.514 6.621 -12.298) 15.016 2.850 ( -1.936 3.084 -5.428) 6.536 3.005 ( -3.606 7.052 9.197) 12.137 3.077 ( -3.021 13.278 -7.383) 15.490 3.194 ( -6.833 5.122 7.344) 11.264 3.232 ( -2.181 2.511 2.578) 4.208 3.358 ( -0.036 -2.396 -3.680) 4.391 3.398 ( -7.167 0.359 0.940) 7.237 3.462 ( -0.645 -0.555 -5.130) 5.200 3.532 ( -3.987 0.171 3.274) 5.162 3.558 ( -1.856 -4.540 -3.673) 6.128 3.581 ( 2.344 -0.035 -3.015) 3.819 3.609 ( 6.909 3.512 -0.500) 7.766 3.701 ( 0.515 3.397 0.231) 3.444 3.775 ( 2.143 -5.097 0.099) 5.530 3.814 ( 0.531 -4.633 -5.006) 6.841 3.869 ( 1.384 0.275 -0.309) 1.444 3.929 ( 5.639 0.102 -0.328) 5.650 4.000 ( -0.785 8.338 3.263) 8.988 4.014 ( 1.197 0.932 1.312) 2.005 4.109 ( 1.419 5.527 -2.947) 6.422 4.122 ( 2.227 -0.828 -1.535) 2.828 4.186 ( 0.964 3.805 -2.662) 4.743 4.196 ( 3.151 6.031 -1.108) 6.894 4.248 ( 1.210 3.456 0.711) 3.730 4.298 ( 0.159 3.420 -3.265) 4.731 4.344 ( -4.013 -0.856 4.998) 6.467 4.375 ( 0.190 6.673 0.412) 6.689 4.413 ( 2.133 1.354 0.518) 2.579 4.432 ( -2.647 0.577 0.531) 2.760 4.526 ( -3.364 3.616 3.051) 5.805 4.555 ( -1.748 -1.236 4.896) 5.344 4.606 ( -1.614 -0.916 1.831) 2.607 4.645 ( -1.725 4.638 2.840) 5.706 4.723 ( -4.078 2.457 0.785) 4.825 4.747 ( -2.537 -1.538 2.403) 3.818 4.772 ( 0.771 1.085 6.049) 6.194 4.796 ( -4.580 0.498 1.467) 4.835 4.808 ( -9.837 9.877 -0.478) 13.948 4.877 ( -1.990 0.757 4.085) 4.607 4.931 ( 6.000 -0.538 -1.255) 6.153 4.947 ( 4.620 5.439 0.516) 7.155 5.068 ( 2.029 1.716 -1.349) 2.980 5.087 ( 1.501 2.966 -3.285) 4.673 5.111 ( -0.117 3.264 -6.645) 7.404 5.131 ( 3.024 6.315 -3.998) 8.063 5.273 ( 7.671 5.126 -1.661) 9.375 5.285 ( 6.341 -1.403 1.073) 6.583 5.312 ( 3.842 1.808 -2.962) 5.178 5.358 ( 1.543 4.059 -0.749) 4.407 5.415 ( 0.562 2.786 -1.919) 3.429 5.525 ( 0.483 3.321 -1.195) 3.562 5.625 ( -5.263 3.209 3.579) 7.128 5.666 ( -1.167 1.081 -3.029) 3.421 5.688 ( -3.368 4.414 -1.151) 5.670 5.761 ( -3.486 5.842 -2.104) 7.121 5.767 ( -3.022 5.797 0.716) 6.576 5.834 ( 1.340 0.403 2.679) 3.022 5.860 ( 2.129 4.248 -6.222) 7.829 5.889 ( -4.153 -1.134 0.156) 4.308 5.941 ( 1.008 4.571 -0.810) 4.751 5.998 ( 3.629 1.613 -0.413) 3.993 6.066 ( -1.918 3.655 4.862) 6.377 6.106 ( 2.375 1.161 2.105) 3.379 6.144 ( 0.471 1.213 0.339) 1.345 6.235 ( 2.857 2.501 3.741) 5.330 6.243 ( -0.993 -1.298 0.284) 1.659 6.300 ( 3.302 1.787 5.258) 6.460 6.372 ( -0.357 4.714 -1.524) 4.967 6.404 ( -1.287 1.426 -5.105) 5.455 6.440 ( -0.988 2.275 -2.161) 3.289 6.489 ( 0.665 5.421 1.167) 5.585 6.526 ( -5.202 3.218 1.913) 6.409 6.589 ( 1.849 2.756 -1.197) 3.528 6.683 ( 1.299 4.839 5.167) 7.197 6.739 ( 2.598 -0.797 -2.799) 3.901 6.767 ( 2.770 2.744 4.178) 5.714 6.780 ( 2.746 3.097 -2.206) 4.690 6.833 ( -3.843 -0.884 -3.753) 5.443 6.894 ( -0.210 0.122 0.186) 0.306 6.943 ( -1.908 -2.062 -2.993) 4.105 7.012 ( 1.424 -7.827 7.374) 10.847 7.096 ( 4.000 -4.153 3.266) 6.627 7.185 ( 1.710 1.557 -12.491) 12.703 7.252 ( 2.459 -8.164 -1.426) 8.645 7.332 ( 2.088 0.941 -1.978) 3.027 7.369 ( -4.147 -2.113 -1.169) 4.799 7.437 ( 1.503 -11.086 -3.296) 11.663 7.463 ( -3.922 1.352 0.379) 4.165 7.568 ( 4.344 -1.149 3.085) 5.450 7.612 ( 1.594 -0.322 0.659) 1.755 7.667 ( -4.485 1.744 4.665) 6.702 7.728 ( 0.482 -4.738 -3.314) 5.802 7.749 ( 3.427 1.815 -2.907) 4.846 7.797 ( -1.307 2.193 5.286) 5.870 7.946 ( -4.613 5.160 2.436) 7.337 8.009 ( 3.174 5.842 6.296) 9.157 8.104 ( -3.297 -6.704 -1.039) 7.543 8.111 ( -6.337 -0.435 0.755) 6.397 8.190 ( -0.814 0.565 2.687) 2.864 8.335 ( 3.964 0.896 -9.599) 10.424 8.372 ( 4.838 -5.386 -5.083) 8.846 8.603 ( -1.619 7.899 -0.771) 8.100 8.704 ( 1.267 10.151 -2.114) 10.446 8.727 ( -3.841 11.656 -7.209) 14.233 8.786 ( 1.543 4.551 -1.595) 5.064 8.895 ( -2.729 7.186 1.565) 7.844 9.072 ( -2.420 -4.071 2.559) 5.383 9.095 ( 1.207 -2.839 4.136) 5.160 9.244 ( 5.394 5.231 5.449) 9.281 9.262 ( -7.137 3.271 1.823) 8.059 9.420 ( 0.981 0.357 6.996) 7.074 9.491 ( -2.186 -5.302 -1.463) 5.918 9.589 ( 1.017 -5.563 0.315) 5.664 9.618 ( -2.180 -1.901 -4.686) 5.507 9.656 ( 0.743 -5.115 -4.849) 7.087 9.692 ( -4.359 1.156 0.284) 4.519 9.832 ( 4.878 -5.757 -3.076) 8.149 9.955 ( -0.706 -8.325 2.742) 8.794 9.985 ( -3.125 -1.732 -0.462) 3.602 10.070 ( 1.456 -8.901 -4.037) 9.881 10.308 ( 10.986 -5.147 3.625) 12.662 10.384 ( 0.723 -9.148 7.972) 12.156 10.405 ( 1.602 -6.933 -1.002) 7.186 10.776 ( -0.170 -4.616 -2.504) 5.255 10.804 ( 1.927 -4.268 -4.780) 6.691 10.902 ( -3.009 -1.347 0.121) 3.299 10.955 ( -0.088 -4.077 -1.306) 4.282 11.005 ( 2.255 -3.429 -3.363) 5.306 11.039 ( -0.671 -2.488 0.741) 2.681 11.087 ( -4.278 -0.988 -1.136) 4.535 11.267 ( -1.456 -5.336 0.190) 5.535 11.295 ( 0.524 0.113 2.304) 2.366 11.309 ( -5.582 -1.155 6.736) 8.824 11.428 ( 4.834 -4.880 3.700) 7.802 11.502 ( 2.864 0.137 2.362) 3.715 11.799 ( 1.148 0.694 6.011) 6.159 11.848 ( -1.479 -2.186 -2.146) 3.402 12.119 ( 1.693 -9.172 1.962) 9.531 12.220 ( -2.016 -11.099 -2.819) 11.627 12.314 ( 7.591 -6.453 2.651) 10.310 12.495 ( -1.108 -5.091 -11.599) 12.716 14.589 ( -0.072 2.015 1.469) 2.495 14.667 ( -0.922 0.906 -2.610) 2.913 14.740 ( -0.732 0.007 -3.036) 3.123 14.847 ( 3.839 -0.555 -1.295) 4.089 14.886 ( -3.341 2.763 0.150) 4.338 14.944 ( 1.090 2.860 2.978) 4.270 15.042 ( -3.320 1.107 4.396) 5.618 15.104 ( -4.445 6.652 -1.267) 8.100 15.204 ( 0.170 1.280 -2.031) 2.407 15.336 ( -2.593 1.570 -1.425) 3.350 15.353 ( 1.399 3.485 -0.950) 3.873 15.425 ( 1.857 3.592 -3.276) 5.204 15.496 ( 2.553 -1.179 4.867) 5.620 15.547 ( 2.269 2.218 -2.669) 4.147 15.596 ( 0.078 1.154 1.367) 1.791 15.652 ( -1.772 -0.555 0.712) 1.988 15.794 ( -1.066 2.130 -1.383) 2.755 15.831 ( 0.457 -0.312 2.489) 2.550 16.012 ( -4.499 1.519 -4.582) 6.599 16.152 ( -0.214 2.031 1.614) 2.603 16.187 ( -0.381 -0.383 3.750) 3.789 16.237 ( -3.344 -0.737 2.150) 4.043 16.303 ( 4.890 -0.188 -1.594) 5.147 16.452 ( 1.826 1.438 -0.142) 2.329 17.403 ( -1.715 39.907 -2.479) 40.021 17.688 ( 5.709 43.199 11.256) 45.005 17.745 ( 7.681 40.766 9.955) 42.661 18.210 ( -15.801 40.568 -29.533) 52.608 20.797 ( 3.114 -20.865 10.108) 23.393 20.923 ( -11.101 -27.733 8.156) 30.966 21.014 ( 0.831 -24.895 -10.918) 27.197 21.319 ( 0.449 -37.698 2.849) 37.808 25.346 ( -1.971 3.825 -1.067) 4.433 25.376 ( -1.157 3.460 1.728) 4.037 25.469 ( 0.994 5.171 -0.995) 5.359 25.554 ( 2.193 3.262 -0.267) 3.940 25.726 ( -3.161 7.891 -0.791) 8.538 25.775 ( 1.195 9.217 1.218) 9.373 25.861 ( -3.991 9.053 1.652) 10.030 26.025 ( -1.242 8.277 -2.356) 8.695 26.343 ( -0.144 -0.666 0.458) 0.821 26.379 ( 1.322 -0.783 -0.532) 1.626 26.550 ( 1.498 0.146 -1.649) 2.233 26.591 ( 0.953 0.706 0.827) 1.446 26.605 ( 6.810 -1.417 0.215) 6.959 26.707 ( 7.112 -1.036 0.909) 7.245 26.825 ( 1.184 2.292 -0.391) 2.609 26.847 ( -0.826 0.720 -3.363) 3.537 27.008 ( -3.276 -4.031 -0.700) 5.241 27.046 ( 0.539 -7.052 1.777) 7.293 27.158 ( 4.159 -6.742 7.169) 10.684 27.222 ( -2.486 -5.174 -4.752) 7.452 27.394 ( -0.714 -4.266 0.970) 4.432 27.419 ( 0.768 -4.390 0.965) 4.560 27.525 ( -1.601 -5.559 1.641) 6.013 27.640 ( 0.823 -4.963 -1.117) 5.153 28.994 ( -2.573 15.561 -2.093) 15.911 29.185 ( 6.207 13.458 1.359) 14.882 29.251 ( -6.484 12.024 0.791) 13.684 29.499 ( -2.891 11.435 -4.958) 12.794 29.984 ( 0.657 -14.193 1.511) 14.288 30.072 ( 9.608 -16.936 6.127) 20.413 30.349 ( -4.210 -15.487 -1.963) 16.169 30.442 ( -1.592 -15.752 -3.456) 16.205 ======================= Grid point 55 (26/50) ======================= q-point: (-0.50 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -4.833 7.634 7.788) 11.929 1.893 ( -7.498 8.411 -4.530) 12.144 2.010 ( -10.360 8.535 9.912) 16.686 2.180 ( -8.593 3.282 -3.753) 9.935 2.235 ( -7.608 10.581 9.050) 15.867 2.341 ( 7.442 2.550 -6.107) 9.959 2.404 ( -4.559 10.716 -6.086) 13.140 2.600 ( 11.175 4.534 -2.226) 12.263 2.623 ( 2.364 -0.256 10.731) 10.991 2.738 ( 4.806 -2.014 10.729) 11.928 2.774 ( 8.559 3.755 -7.517) 11.994 2.871 ( 3.016 2.068 6.719) 7.650 2.944 ( -2.287 6.540 2.077) 7.233 3.077 ( 3.289 12.522 6.939) 14.689 3.199 ( -0.508 6.322 5.316) 8.276 3.245 ( -0.609 -3.374 -1.303) 3.668 3.298 ( 1.486 -9.202 -3.978) 10.134 3.315 ( 1.979 5.368 -2.897) 6.413 3.381 ( -0.786 6.323 3.130) 7.099 3.502 ( -3.235 -3.293 1.955) 5.013 3.557 ( 2.109 3.534 -4.071) 5.789 3.580 ( 3.511 -6.663 -4.917) 8.994 3.669 ( -3.680 6.691 -4.114) 8.674 3.747 ( 2.165 -0.808 3.145) 3.903 3.770 ( 0.865 1.986 -1.431) 2.597 3.816 ( 3.796 -0.288 -0.798) 3.890 3.868 ( 2.361 -1.684 -0.328) 2.919 3.937 ( -2.874 -0.343 -8.192) 8.688 3.987 ( 0.303 0.417 -1.545) 1.629 4.044 ( -0.704 2.085 -3.203) 3.886 4.074 ( 1.779 -1.271 -0.690) 2.293 4.132 ( -4.427 -0.589 2.438) 5.088 4.155 ( 2.284 3.225 -5.528) 6.795 4.196 ( 1.462 2.851 -1.218) 3.428 4.262 ( -1.069 4.103 2.489) 4.917 4.287 ( -4.499 4.739 -4.592) 7.987 4.343 ( -4.135 2.527 0.524) 4.874 4.379 ( 0.962 1.991 -1.244) 2.537 4.405 ( 5.913 1.183 -0.075) 6.031 4.469 ( -2.977 6.180 0.011) 6.860 4.511 ( -1.708 2.181 6.468) 7.036 4.549 ( -0.810 1.859 -0.317) 2.052 4.594 ( -5.606 3.067 0.715) 6.430 4.615 ( 2.313 7.141 7.809) 10.832 4.676 ( 0.369 1.551 1.910) 2.488 4.724 ( -2.600 1.177 2.644) 3.891 4.759 ( -0.392 0.656 7.997) 8.033 4.776 ( -1.122 1.499 6.049) 6.332 4.840 ( -3.652 0.836 3.406) 5.063 4.906 ( 1.928 4.778 4.043) 6.549 4.969 ( 1.166 -2.006 -9.805) 10.075 5.000 ( 0.084 6.145 -6.303) 8.803 5.054 ( 1.643 1.063 2.791) 3.409 5.086 ( 0.893 1.004 2.551) 2.883 5.122 ( 0.745 6.404 -1.812) 6.697 5.159 ( 5.025 5.566 -2.997) 8.075 5.235 ( -4.193 -0.768 0.249) 4.270 5.332 ( 3.638 4.032 -4.448) 7.020 5.381 ( 4.354 1.195 -1.924) 4.908 5.397 ( -0.674 2.724 -2.785) 3.954 5.444 ( -3.491 3.037 -1.807) 4.967 5.518 ( -0.408 4.776 3.343) 5.844 5.561 ( 3.795 6.126 -3.883) 8.186 5.642 ( -1.793 7.416 -1.664) 7.809 5.673 ( 3.594 -0.477 2.757) 4.555 5.695 ( 0.254 1.245 3.268) 3.506 5.785 ( -1.317 1.758 1.138) 2.473 5.833 ( 4.329 3.325 -1.946) 5.795 5.872 ( 0.364 -0.133 -1.749) 1.791 5.891 ( 1.208 -1.991 -0.420) 2.366 5.943 ( 0.192 3.609 -0.844) 3.711 6.048 ( -0.932 6.874 0.708) 6.973 6.083 ( 1.838 4.516 1.827) 5.207 6.130 ( -1.302 0.824 2.733) 3.138 6.153 ( -3.559 5.048 0.839) 6.233 6.195 ( 0.646 2.722 -1.589) 3.217 6.241 ( -3.878 5.419 -2.956) 7.290 6.307 ( -4.784 1.101 -2.162) 5.364 6.331 ( -0.697 0.753 0.344) 1.082 6.392 ( -0.236 -0.274 5.615) 5.627 6.432 ( 0.818 0.738 -1.072) 1.537 6.473 ( -0.567 1.439 0.148) 1.553 6.539 ( 2.813 1.177 -1.607) 3.447 6.584 ( -1.548 5.654 -2.549) 6.392 6.631 ( -4.504 3.849 -0.306) 5.933 6.718 ( -0.118 1.948 -6.460) 6.749 6.746 ( -3.888 -1.254 -0.103) 4.086 6.796 ( -4.209 1.044 -2.255) 4.888 6.845 ( 3.393 0.638 2.422) 4.218 6.865 ( 1.817 -1.805 -6.127) 6.640 6.887 ( 6.257 -0.528 -2.218) 6.659 7.049 ( -4.481 -6.178 2.969) 8.189 7.125 ( -0.713 -7.529 2.268) 7.895 7.169 ( -0.870 -0.462 -3.134) 3.286 7.227 ( -5.867 1.713 -0.518) 6.134 7.322 ( 4.223 -0.028 -1.372) 4.441 7.374 ( 1.996 -0.986 -6.661) 7.023 7.430 ( 4.124 -13.726 -5.755) 15.444 7.522 ( 6.232 2.300 6.163) 9.062 7.592 ( -0.558 3.399 0.646) 3.504 7.610 ( -0.473 2.400 5.125) 5.679 7.711 ( 2.637 -0.753 5.858) 6.468 7.779 ( -3.035 3.948 4.408) 6.651 7.794 ( -0.146 -9.677 0.272) 9.682 7.841 ( 3.051 4.303 0.053) 5.275 7.936 ( 0.145 1.616 2.198) 2.732 8.017 ( -1.419 -0.211 2.378) 2.777 8.025 ( -2.827 -1.063 2.565) 3.963 8.109 ( -5.442 -1.116 -0.859) 5.621 8.125 ( -1.530 1.747 1.547) 2.790 8.307 ( 3.276 -1.369 -10.328) 10.922 8.357 ( 3.105 -4.457 -8.237) 9.867 8.636 ( 3.665 7.334 2.086) 8.459 8.690 ( 4.376 15.910 1.218) 16.546 8.719 ( 1.963 8.392 -1.269) 8.711 8.812 ( 2.414 4.310 -1.372) 5.127 8.902 ( 1.191 5.694 3.580) 6.831 9.085 ( 0.379 -3.596 2.063) 4.163 9.102 ( -3.216 0.570 2.252) 3.967 9.179 ( -4.201 3.347 0.291) 5.379 9.330 ( -5.110 2.890 3.261) 6.715 9.392 ( -1.722 -2.868 -1.563) 3.692 9.454 ( -4.368 3.663 -1.087) 5.804 9.533 ( 2.702 -2.145 -2.178) 4.080 9.567 ( -0.754 -6.218 -2.618) 6.789 9.643 ( 2.972 -8.246 2.570) 9.134 9.789 ( 5.101 -3.496 4.318) 7.542 9.860 ( 3.095 -5.178 -4.050) 7.266 9.928 ( -2.795 -4.025 2.450) 5.478 10.028 ( 3.270 -3.904 3.007) 5.914 10.038 ( -0.226 -8.589 -4.049) 9.498 10.356 ( -3.933 -7.465 -4.012) 9.343 10.433 ( -1.236 -6.511 5.698) 8.740 10.514 ( 0.477 -6.760 3.740) 7.740 10.636 ( -3.585 -9.081 -8.252) 12.784 10.771 ( 1.125 1.987 -4.936) 5.439 10.858 ( 0.546 -1.644 -2.806) 3.298 10.892 ( -4.975 -1.785 -2.291) 5.761 11.013 ( 6.958 -3.184 0.546) 7.672 11.064 ( -1.212 -3.138 -1.175) 3.563 11.168 ( -0.674 -3.936 0.310) 4.006 11.176 ( -1.395 -6.596 2.331) 7.133 11.240 ( 0.384 -0.551 1.769) 1.893 11.394 ( -0.961 -0.171 5.067) 5.160 11.515 ( -0.687 -7.352 7.845) 10.773 11.548 ( -1.687 1.282 3.573) 4.154 11.750 ( -4.426 1.048 -2.630) 5.254 11.879 ( 0.203 -5.002 1.844) 5.335 12.151 ( -1.395 -12.095 -1.230) 12.237 12.183 ( 2.147 -4.565 -0.808) 5.109 12.279 ( -6.863 -5.739 -6.958) 11.334 12.489 ( 9.668 -6.257 -5.697) 12.848 14.608 ( -0.153 0.908 2.290) 2.468 14.710 ( 3.224 2.967 -0.898) 4.472 14.712 ( 2.220 -0.661 0.118) 2.319 14.825 ( -0.160 -1.136 -2.575) 2.819 14.918 ( 0.869 4.274 3.643) 5.683 14.971 ( 0.571 1.767 3.115) 3.627 15.018 ( -3.525 2.839 1.555) 4.786 15.089 ( 2.402 3.335 0.333) 4.124 15.188 ( 0.879 3.076 -0.651) 3.265 15.271 ( -2.205 3.129 -1.551) 4.130 15.372 ( 0.845 0.383 -1.885) 2.101 15.431 ( 2.675 2.546 -2.885) 4.686 15.506 ( -2.074 0.468 -0.290) 2.146 15.592 ( -1.534 0.056 0.485) 1.610 15.608 ( 2.328 1.952 2.724) 4.081 15.646 ( -0.540 2.455 0.806) 2.640 15.773 ( -1.101 0.032 1.368) 1.756 15.896 ( 1.775 1.843 3.136) 4.048 15.945 ( 3.131 0.717 -1.750) 3.658 16.157 ( -1.107 -1.005 -0.972) 1.784 16.198 ( -2.542 0.056 2.504) 3.568 16.211 ( -0.165 1.023 2.602) 2.801 16.326 ( 0.386 0.464 -3.234) 3.289 16.433 ( -2.314 1.650 -2.334) 3.678 17.382 ( 1.348 40.002 -0.753) 40.032 17.666 ( -11.865 42.403 -7.011) 44.587 17.766 ( -10.622 41.682 6.598) 43.517 18.238 ( 32.773 39.901 -0.453) 51.637 20.734 ( -11.399 -20.625 2.455) 23.693 20.970 ( 1.983 -26.209 5.978) 26.955 21.006 ( 5.265 -26.417 -0.111) 26.937 21.332 ( -1.748 -37.566 1.835) 37.652 25.326 ( 0.566 2.777 0.187) 2.841 25.388 ( 0.141 3.813 1.005) 3.946 25.491 ( 2.048 5.803 1.176) 6.265 25.611 ( 1.715 4.403 3.318) 5.774 25.649 ( -1.441 7.201 -2.957) 7.917 25.771 ( -4.226 8.868 -3.695) 10.495 25.822 ( 0.175 9.052 3.842) 9.835 26.027 ( 3.101 7.938 -1.244) 8.612 26.350 ( -0.042 -0.704 0.851) 1.106 26.391 ( 0.380 -0.895 -0.708) 1.203 26.557 ( 0.294 0.162 0.410) 0.530 26.601 ( 0.180 0.394 -0.639) 0.772 26.696 ( 1.448 -3.062 -0.641) 3.447 26.728 ( -5.122 -0.140 -1.998) 5.500 26.775 ( 0.097 -0.436 -4.377) 4.399 26.838 ( -0.323 1.118 -3.964) 4.132 26.961 ( 1.355 -3.507 1.212) 3.950 27.079 ( -2.685 -5.242 -3.150) 6.679 27.119 ( -2.306 -6.198 3.922) 7.688 27.271 ( -0.437 -6.112 0.368) 6.138 27.361 ( 2.607 -4.268 1.460) 5.210 27.467 ( -2.791 -5.612 -1.226) 6.386 27.512 ( 0.855 -3.862 4.005) 5.629 27.644 ( 0.341 -4.711 -0.883) 4.805 28.961 ( 1.484 16.269 -0.829) 16.358 29.147 ( -3.256 10.773 -3.371) 11.749 29.308 ( 4.605 11.859 2.529) 12.971 29.402 ( -2.107 13.369 -3.895) 14.083 30.012 ( 1.185 -13.917 3.380) 14.370 30.179 ( -11.468 -15.501 -0.746) 19.297 30.296 ( 7.348 -16.287 1.163) 17.906 30.430 ( 3.336 -15.385 -1.570) 15.821 ======================= Grid point 56 (27/50) ======================= q-point: (-0.25 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -12.958 23.422 2.879) 26.922 1.748 ( -7.641 14.002 9.413) 18.522 1.844 ( -10.833 26.335 4.777) 28.874 2.116 ( -4.315 3.102 -0.492) 5.337 2.168 ( -1.346 -5.952 6.830) 9.159 2.348 ( 1.870 0.988 -7.613) 7.901 2.404 ( 5.706 4.436 4.778) 8.664 2.617 ( -6.906 7.458 3.319) 10.692 2.726 ( -4.869 9.349 3.439) 11.088 2.775 ( -6.682 7.425 7.007) 12.201 2.890 ( 0.954 0.617 2.747) 2.972 2.966 ( 5.675 -1.642 2.524) 6.425 3.067 ( 12.263 4.588 -5.162) 14.074 3.198 ( 2.645 11.662 -1.868) 12.104 3.236 ( 5.604 -3.681 1.030) 6.783 3.297 ( 8.188 1.291 -10.696) 13.532 3.304 ( 3.439 6.106 -3.160) 7.687 3.369 ( 2.547 1.644 -1.255) 3.281 3.439 ( -1.925 -1.614 -2.726) 3.707 3.522 ( 2.570 -2.048 3.903) 5.102 3.573 ( 4.490 -3.282 -1.872) 5.868 3.600 ( 5.897 5.533 -3.270) 8.723 3.649 ( 5.042 3.953 0.418) 6.421 3.732 ( -1.070 -2.565 -3.583) 4.535 3.778 ( -0.340 -0.682 1.963) 2.106 3.790 ( -3.912 -1.282 -3.750) 5.569 3.874 ( 2.824 -4.158 1.296) 5.191 3.926 ( -2.238 0.397 -0.393) 2.307 3.970 ( -1.794 0.215 -2.916) 3.430 3.989 ( 0.929 -0.033 -6.056) 6.126 4.054 ( -0.051 12.495 -1.816) 12.627 4.085 ( -1.027 -0.807 2.179) 2.541 4.100 ( -1.639 0.031 -3.398) 3.772 4.209 ( 2.935 1.898 -2.137) 4.097 4.245 ( 0.545 1.534 -0.689) 1.768 4.258 ( -1.854 6.655 3.084) 7.565 4.355 ( -0.075 -3.900 4.434) 5.906 4.381 ( 1.641 2.734 3.120) 4.461 4.409 ( -0.398 3.860 -1.935) 4.336 4.489 ( -1.488 -0.637 1.869) 2.473 4.540 ( -0.491 -2.903 3.917) 4.901 4.564 ( 1.122 0.465 0.908) 1.516 4.598 ( -0.337 2.151 2.578) 3.374 4.612 ( -4.148 1.268 2.677) 5.097 4.666 ( -2.576 2.149 -0.878) 3.468 4.688 ( -1.884 0.095 -0.584) 1.975 4.780 ( 0.220 4.150 1.297) 4.354 4.830 ( -1.319 -2.741 1.581) 3.428 4.862 ( -1.507 3.918 4.354) 6.049 4.869 ( -0.149 1.258 9.027) 9.116 4.902 ( -2.293 2.648 -2.845) 4.513 5.013 ( -0.169 1.930 0.516) 2.005 5.049 ( 3.572 5.354 -2.043) 6.752 5.095 ( -5.521 2.709 1.205) 6.267 5.151 ( -4.451 -4.015 1.694) 6.229 5.173 ( -2.093 -0.170 0.502) 2.159 5.223 ( 4.909 7.048 -3.283) 9.196 5.270 ( -0.809 2.027 -7.137) 7.463 5.313 ( 1.355 5.446 -3.755) 6.752 5.411 ( 1.514 3.329 -2.523) 4.444 5.493 ( 4.156 0.013 1.880) 4.562 5.530 ( 2.546 8.152 -3.857) 9.371 5.553 ( -2.431 3.705 -5.123) 6.774 5.648 ( 4.703 1.357 -0.638) 4.936 5.726 ( -0.103 4.563 2.297) 5.110 5.757 ( -0.915 7.056 3.396) 7.884 5.794 ( 0.205 3.982 -2.116) 4.514 5.854 ( 1.104 5.853 -2.823) 6.591 5.877 ( -4.002 4.901 2.970) 6.990 5.894 ( 0.905 -0.029 0.856) 1.247 5.952 ( 1.200 -1.896 -1.358) 2.623 5.981 ( 0.706 4.092 2.137) 4.670 6.036 ( -4.915 1.223 -2.455) 5.628 6.097 ( -3.322 6.364 2.836) 7.719 6.129 ( -0.110 3.580 2.065) 4.135 6.209 ( 1.569 2.208 1.273) 2.993 6.261 ( -3.049 -0.913 -0.216) 3.190 6.277 ( -1.181 -4.085 -2.816) 5.101 6.325 ( 1.599 -1.673 3.853) 4.494 6.379 ( 1.683 3.785 4.216) 5.910 6.385 ( 0.363 -0.001 -0.766) 0.847 6.473 ( -3.436 4.896 2.176) 6.365 6.527 ( -2.540 2.655 -0.285) 3.685 6.577 ( 1.620 -0.548 0.386) 1.753 6.641 ( -3.722 2.292 -0.375) 4.387 6.685 ( 3.189 1.809 1.575) 3.990 6.708 ( 0.958 -0.710 -5.294) 5.427 6.725 ( 5.634 -1.813 -1.048) 6.011 6.839 ( -1.532 -2.153 0.879) 2.785 6.872 ( 2.362 -0.445 -5.177) 5.707 6.941 ( -2.953 -1.951 -1.039) 3.689 7.007 ( 2.873 1.958 -0.201) 3.482 7.090 ( -1.458 2.665 0.648) 3.107 7.164 ( 3.785 2.491 -2.054) 4.975 7.212 ( -3.936 6.490 -1.037) 7.661 7.304 ( 3.149 -4.656 -4.257) 7.051 7.384 ( 5.494 -1.238 -0.559) 5.660 7.493 ( -0.369 -3.848 -2.242) 4.469 7.582 ( -5.847 -0.797 0.158) 5.903 7.600 ( -6.218 4.630 3.216) 8.393 7.625 ( -5.854 4.462 3.921) 8.340 7.697 ( 8.633 -5.115 2.749) 10.404 7.795 ( 3.030 -2.413 -3.485) 5.211 7.827 ( -0.699 -7.563 5.130) 9.166 7.888 ( -1.368 1.078 -0.614) 1.847 7.907 ( -4.662 2.131 -1.546) 5.354 7.997 ( -0.176 2.119 5.656) 6.042 8.012 ( -2.650 0.176 1.297) 2.956 8.089 ( 4.298 -1.413 2.574) 5.205 8.177 ( 5.872 -4.468 -2.649) 7.839 8.267 ( 1.496 -3.256 -4.683) 5.896 8.316 ( 0.718 -6.212 -7.703) 9.921 8.703 ( 0.492 10.854 -3.572) 11.437 8.752 ( 3.730 4.921 -0.688) 6.213 8.787 ( 2.875 13.847 0.212) 14.144 8.837 ( 5.315 6.036 -6.011) 10.041 8.948 ( -1.079 5.546 -2.424) 6.148 9.079 ( -2.631 3.660 3.071) 5.454 9.113 ( 1.810 1.093 0.575) 2.192 9.186 ( 2.959 -3.862 7.053) 8.569 9.227 ( -5.515 1.064 3.995) 6.892 9.323 ( -2.871 5.707 -1.457) 6.553 9.457 ( 1.771 0.877 5.460) 5.807 9.484 ( -2.201 -6.163 -0.547) 6.567 9.636 ( 1.218 -11.262 0.677) 11.347 9.726 ( 7.221 -3.431 -1.089) 8.068 9.801 ( -0.719 -6.693 -5.901) 8.952 9.900 ( -1.103 0.214 -0.455) 1.212 9.946 ( -0.789 -5.699 -0.620) 5.787 9.957 ( 0.001 -5.826 0.216) 5.830 10.155 ( -1.060 -9.566 5.669) 11.170 10.218 ( -1.907 -3.814 -0.637) 4.312 10.329 ( -11.110 -8.577 -4.038) 14.605 10.467 ( -5.604 -1.577 6.359) 8.621 10.529 ( -0.984 -6.704 -5.136) 8.502 10.773 ( -1.551 -6.395 -3.102) 7.275 10.806 ( 4.292 -0.158 -0.424) 4.316 10.934 ( 4.741 1.326 2.934) 5.731 10.977 ( 0.623 -0.466 -3.529) 3.614 11.143 ( -0.936 -3.456 -0.758) 3.659 11.166 ( 5.861 -3.959 1.792) 7.296 11.214 ( 2.898 -2.838 -0.718) 4.119 11.353 ( 0.439 -4.411 4.652) 6.426 11.370 ( -1.148 -1.593 -0.022) 1.963 11.508 ( -5.997 -3.605 5.360) 8.814 11.529 ( -7.817 -1.986 6.629) 10.440 11.640 ( -7.299 2.429 1.542) 7.846 11.872 ( 3.036 -3.383 -3.384) 5.667 12.049 ( -6.797 -3.587 -0.874) 7.735 12.154 ( -0.137 -10.320 3.515) 10.903 12.248 ( 0.078 -5.684 0.733) 5.731 12.577 ( 9.111 -1.952 -11.180) 14.554 14.637 ( 1.275 -3.464 0.126) 3.693 14.708 ( 1.704 0.181 -1.518) 2.289 14.765 ( -0.059 -1.664 -2.045) 2.637 14.822 ( 2.567 -0.359 -1.538) 3.014 14.952 ( -3.982 0.125 -0.357) 4.000 14.991 ( 1.343 4.000 3.721) 5.626 15.033 ( 0.554 4.662 3.345) 5.764 15.146 ( 5.286 4.723 -1.055) 7.167 15.213 ( 0.810 2.881 -2.360) 3.811 15.246 ( 1.997 5.215 0.397) 5.598 15.335 ( -0.605 1.343 -2.053) 2.526 15.449 ( -0.062 2.778 -3.117) 4.176 15.496 ( 0.542 -0.439 1.897) 2.021 15.558 ( -2.194 1.193 -0.080) 2.499 15.599 ( -2.930 2.552 0.845) 3.977 15.658 ( 0.083 2.171 1.073) 2.423 15.779 ( 1.448 -1.016 -1.475) 2.304 15.981 ( 5.991 1.434 -1.306) 6.297 16.039 ( -1.658 -0.510 7.158) 7.366 16.086 ( 1.637 -1.489 -5.033) 5.498 16.191 ( -2.113 -0.665 2.779) 3.554 16.255 ( 1.367 3.880 -0.105) 4.115 16.276 ( -2.017 -0.603 1.625) 2.659 16.345 ( -4.241 1.825 -1.311) 4.800 17.406 ( -2.633 41.611 0.241) 41.695 17.471 ( 0.782 39.960 0.875) 39.978 17.654 ( -10.623 41.490 6.168) 43.270 18.806 ( 35.659 29.901 -22.984) 51.903 20.569 ( -8.397 -12.567 4.317) 15.719 21.065 ( -1.844 -33.237 9.933) 34.738 21.105 ( 3.083 -31.892 3.176) 32.197 21.289 ( -1.853 -33.794 -3.572) 34.032 25.350 ( 1.161 2.940 0.087) 3.162 25.403 ( 1.905 3.546 -1.021) 4.153 25.542 ( -0.299 5.698 0.401) 5.720 25.607 ( 1.004 6.642 -1.213) 6.826 25.650 ( -3.969 6.848 -3.135) 8.514 25.702 ( 2.163 5.760 6.058) 8.634 25.858 ( 0.611 8.674 1.393) 8.807 26.106 ( 7.454 5.309 -3.133) 9.673 26.353 ( -0.485 -0.760 0.651) 1.112 26.381 ( -0.317 -0.968 -0.863) 1.335 26.538 ( -6.171 -0.200 -1.102) 6.272 26.583 ( -1.212 -0.077 -0.548) 1.332 26.594 ( -1.471 -0.471 0.604) 1.658 26.666 ( -4.103 0.007 1.390) 4.332 26.765 ( 1.490 -1.061 -0.439) 1.881 26.841 ( 3.331 -0.484 -3.233) 4.667 26.921 ( -6.259 -2.881 -0.451) 6.904 27.007 ( -0.250 -3.851 1.803) 4.260 27.158 ( -1.859 -4.999 4.976) 7.295 27.238 ( -0.219 -4.013 -0.874) 4.113 27.382 ( -2.374 -3.835 -3.402) 5.650 27.449 ( 1.982 -4.988 3.548) 6.434 27.536 ( -2.425 -4.010 2.271) 5.208 27.634 ( 0.384 -6.445 -1.605) 6.653 29.015 ( 1.417 14.518 3.692) 15.047 29.070 ( 2.382 14.193 -8.783) 16.860 29.341 ( 0.777 11.710 -1.547) 11.837 29.430 ( 4.831 10.942 2.099) 12.144 29.897 ( -15.059 -8.249 3.300) 17.485 30.100 ( -0.253 -15.929 2.784) 16.172 30.397 ( 3.385 -15.873 -0.104) 16.231 30.485 ( 4.772 -15.046 -4.266) 16.351 ======================= Grid point 57 (28/50) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -5.971 6.452 -0.709) 8.819 2.003 ( -1.289 11.919 -3.037) 12.367 2.141 ( -10.469 1.959 5.433) 11.956 2.280 ( 2.677 11.400 7.183) 13.738 2.307 ( 1.479 12.796 4.584) 13.673 2.415 ( 0.132 5.685 0.561) 5.714 2.475 ( -5.787 4.425 -5.059) 8.869 2.500 ( 0.480 2.977 -1.607) 3.417 2.695 ( 7.963 -0.807 11.913) 14.352 2.750 ( -5.003 -0.080 -1.438) 5.206 2.971 ( -0.646 -6.197 -10.799) 12.467 3.025 ( -0.507 -8.871 -1.415) 8.998 3.062 ( -4.081 -2.245 -10.760) 11.725 3.149 ( 1.092 -0.366 -4.116) 4.274 3.187 ( 2.446 -0.627 1.419) 2.897 3.274 ( 1.904 -2.499 1.824) 3.633 3.352 ( 1.260 1.679 -4.683) 5.132 3.408 ( 2.513 -8.723 -4.123) 9.970 3.488 ( 2.819 -1.892 1.545) 3.730 3.503 ( -1.659 -1.106 -5.235) 5.602 3.566 ( 4.074 1.043 -3.833) 5.690 3.592 ( -3.000 -3.125 -3.820) 5.776 3.606 ( -1.805 -4.794 -1.366) 5.301 3.691 ( 0.623 -0.297 2.243) 2.347 3.725 ( -2.830 -4.904 0.669) 5.702 3.788 ( -2.007 0.876 -0.675) 2.291 3.844 ( 0.387 -2.478 1.042) 2.716 3.889 ( 0.151 -1.421 -1.435) 2.025 3.988 ( 1.477 -1.408 0.527) 2.107 4.058 ( 4.345 2.443 3.727) 6.224 4.072 ( -3.130 1.682 -3.226) 4.799 4.170 ( 3.389 4.446 -0.286) 5.598 4.214 ( 1.288 -0.055 3.109) 3.366 4.260 ( -0.234 -0.539 -0.808) 0.999 4.302 ( 1.508 -1.721 -2.275) 3.226 4.325 ( 1.102 0.093 -0.026) 1.107 4.344 ( -5.272 1.320 2.473) 5.971 4.400 ( 3.233 -2.305 -1.048) 4.106 4.430 ( -1.273 0.952 -4.750) 5.009 4.460 ( 2.496 2.030 2.826) 4.283 4.523 ( -2.441 5.519 5.165) 7.944 4.597 ( -0.111 0.032 7.160) 7.161 4.632 ( -0.272 0.141 6.584) 6.591 4.672 ( -1.942 0.938 3.594) 4.192 4.683 ( -1.445 3.525 3.320) 5.054 4.731 ( -1.553 2.778 0.735) 3.266 4.819 ( -2.610 2.972 1.929) 4.401 4.838 ( -1.900 0.706 2.016) 2.859 4.892 ( -3.340 -1.464 3.472) 5.035 4.967 ( -2.627 3.448 0.095) 4.336 5.004 ( 0.095 3.081 -0.892) 3.209 5.036 ( 3.285 0.731 1.134) 3.551 5.093 ( -1.838 11.521 3.110) 12.074 5.136 ( 0.162 3.926 2.082) 4.447 5.195 ( 1.117 -0.712 -0.889) 1.595 5.255 ( 2.843 7.378 0.350) 7.914 5.295 ( 3.266 7.051 0.355) 7.778 5.316 ( 2.512 8.682 -3.901) 9.845 5.414 ( -2.373 0.505 0.964) 2.610 5.428 ( -1.118 5.714 4.046) 7.090 5.496 ( 2.643 1.015 -9.099) 9.530 5.657 ( 0.410 -2.527 1.196) 2.825 5.691 ( -4.340 6.453 -3.572) 8.558 5.711 ( 5.414 0.713 -1.053) 5.562 5.756 ( 1.364 -0.050 1.537) 2.056 5.791 ( -1.253 1.117 -3.017) 3.453 5.886 ( -2.142 2.913 -1.397) 3.876 5.907 ( 1.287 4.513 3.680) 5.964 5.925 ( -0.000 2.324 3.174) 3.934 5.954 ( 1.118 0.734 -0.273) 1.364 6.003 ( 2.097 1.461 -1.118) 2.790 6.076 ( 1.140 -0.403 -0.275) 1.240 6.105 ( -1.987 0.716 -1.655) 2.683 6.127 ( 1.848 5.268 0.558) 5.611 6.168 ( 2.431 6.012 -1.567) 6.671 6.206 ( 0.676 3.368 0.903) 3.552 6.233 ( -5.692 3.687 -1.836) 7.026 6.279 ( 1.166 -5.767 5.678) 8.177 6.349 ( 2.662 6.515 0.060) 7.038 6.455 ( 4.420 -0.558 0.390) 4.472 6.501 ( -2.526 0.610 0.741) 2.702 6.530 ( -1.550 1.151 3.255) 3.784 6.582 ( -0.671 4.917 -0.324) 4.973 6.597 ( 1.300 -0.066 2.911) 3.189 6.654 ( 5.446 -2.543 0.365) 6.022 6.689 ( -1.093 2.378 1.412) 2.974 6.798 ( 3.879 3.678 -2.131) 5.754 6.824 ( -1.293 1.052 1.450) 2.210 6.853 ( 2.657 5.556 0.856) 6.218 6.867 ( 0.769 0.774 3.252) 3.430 6.963 ( 1.151 5.707 -6.489) 8.718 7.049 ( -1.543 1.692 -8.107) 8.425 7.099 ( -4.665 1.552 -4.113) 6.410 7.192 ( 1.579 2.367 4.181) 5.057 7.260 ( 1.412 -2.650 -5.975) 6.687 7.334 ( 0.823 -2.497 -1.962) 3.281 7.404 ( -3.226 1.092 -4.056) 5.297 7.432 ( -4.399 -0.390 -1.255) 4.591 7.475 ( -3.968 2.349 -0.725) 4.668 7.493 ( -4.162 -4.037 -1.075) 5.897 7.660 ( -0.919 5.561 3.368) 6.566 7.694 ( -3.525 -1.847 2.002) 4.455 7.711 ( 5.465 5.016 4.831) 8.852 7.784 ( -0.688 2.551 -3.168) 4.125 7.899 ( 0.497 -0.503 6.269) 6.309 7.964 ( -0.675 7.182 1.294) 7.328 8.034 ( 3.684 2.022 -6.081) 7.391 8.084 ( 2.981 -2.228 -3.153) 4.878 8.156 ( 1.546 1.064 2.588) 3.197 8.187 ( 3.580 0.678 -1.323) 3.876 8.259 ( -1.165 0.873 2.291) 2.715 8.313 ( 1.681 3.603 4.169) 5.761 8.634 ( 0.525 -9.884 -1.403) 9.997 8.693 ( -5.819 -6.582 -1.372) 8.891 8.834 ( 1.895 -8.125 -0.610) 8.365 8.905 ( -0.940 -1.558 -0.274) 1.841 9.011 ( -3.029 -3.711 -2.754) 5.526 9.026 ( -1.317 -3.123 -2.702) 4.334 9.141 ( -1.617 3.752 1.144) 4.243 9.216 ( 2.622 -5.739 6.900) 9.350 9.251 ( -1.413 -3.668 -1.307) 4.143 9.322 ( 0.675 -4.091 1.955) 4.584 9.337 ( 0.968 4.753 -2.196) 5.325 9.436 ( 1.060 -4.160 2.412) 4.924 9.556 ( 1.397 -8.055 0.777) 8.212 9.638 ( 1.844 -8.274 -3.227) 9.070 9.720 ( 0.936 -1.455 0.810) 1.910 9.816 ( -0.514 -2.026 2.559) 3.304 9.851 ( -3.104 -3.366 -2.102) 5.039 9.911 ( 0.354 0.084 -3.390) 3.409 9.969 ( -1.358 -3.671 2.051) 4.419 10.106 ( -4.212 3.614 0.938) 5.629 10.224 ( -1.754 -2.040 1.299) 2.987 10.309 ( 2.253 -3.814 -5.529) 7.084 10.562 ( 7.263 -4.049 2.576) 8.705 10.581 ( 3.767 -8.806 -1.888) 9.762 10.852 ( 2.936 -0.579 -2.082) 3.645 10.956 ( 0.555 1.815 -1.694) 2.544 11.004 ( -2.584 -1.287 -4.185) 5.084 11.106 ( 1.502 -0.846 -0.714) 1.866 11.188 ( -2.574 0.667 2.796) 3.858 11.210 ( -2.666 -3.145 -0.144) 4.126 11.256 ( -3.184 -2.680 0.582) 4.202 11.345 ( 4.917 1.824 0.588) 5.277 11.402 ( -6.975 4.154 6.236) 10.237 11.460 ( -2.940 3.391 4.662) 6.472 11.771 ( 4.003 3.888 3.921) 6.820 11.879 ( 0.182 -5.433 1.798) 5.726 11.910 ( -1.335 0.696 -1.676) 2.253 12.036 ( 2.136 -6.936 4.669) 8.630 12.104 ( -2.683 -4.527 2.562) 5.853 12.504 ( 3.389 -6.395 -12.511) 14.454 14.631 ( 0.814 3.876 0.321) 3.973 14.735 ( 0.662 2.149 -0.431) 2.290 14.786 ( 3.696 1.724 -1.926) 4.510 14.823 ( -2.647 1.667 -1.750) 3.584 14.941 ( 1.076 1.596 2.314) 3.010 15.015 ( -1.269 1.628 -0.666) 2.169 15.150 ( -3.315 3.752 -1.367) 5.190 15.244 ( -2.177 1.930 -3.263) 4.372 15.347 ( -3.088 5.567 0.488) 6.384 15.366 ( 2.996 5.580 0.478) 6.352 15.438 ( 0.945 4.678 -0.489) 4.797 15.499 ( -0.049 -0.290 -1.389) 1.420 15.533 ( 0.844 4.049 -0.684) 4.192 15.551 ( -1.012 3.382 -0.429) 3.556 15.583 ( 1.270 0.488 1.261) 1.855 15.666 ( -0.982 0.116 -2.302) 2.506 15.755 ( 2.069 -2.243 -0.201) 3.058 15.885 ( -2.989 -2.107 -3.596) 5.129 16.115 ( -1.272 -3.041 6.945) 7.687 16.143 ( 0.008 -2.549 3.616) 4.424 16.160 ( 2.402 -0.026 -1.031) 2.614 16.166 ( -2.219 0.763 -2.682) 3.564 16.268 ( -1.922 -1.341 1.441) 2.751 16.372 ( 4.147 -2.029 1.587) 4.882 18.289 ( 4.225 42.094 1.459) 42.330 18.341 ( -2.868 39.969 0.267) 40.072 18.456 ( -0.375 40.965 10.113) 42.196 19.276 ( -0.367 20.096 -22.792) 30.389 20.307 ( 0.571 -19.282 5.585) 20.083 20.404 ( -4.160 -25.769 4.435) 26.477 20.495 ( 0.660 -32.197 -1.558) 32.242 20.588 ( 0.467 -32.402 -2.914) 32.536 25.435 ( 0.012 3.320 0.604) 3.374 25.484 ( -0.181 2.175 -0.015) 2.182 25.559 ( -2.011 3.974 -5.014) 6.706 25.639 ( -1.560 2.686 -3.875) 4.967 25.831 ( 2.637 6.214 4.666) 8.206 25.924 ( 1.865 4.399 7.728) 9.086 25.994 ( -1.606 5.610 -1.563) 6.041 26.191 ( 0.820 1.187 -3.262) 3.567 26.330 ( -0.583 -0.415 0.368) 0.804 26.359 ( 0.909 -0.332 -0.122) 0.976 26.478 ( 1.784 0.255 1.131) 2.127 26.552 ( -1.221 -0.660 -1.993) 2.428 26.599 ( -0.615 0.727 1.052) 1.419 26.623 ( -0.133 -0.135 0.859) 0.880 26.772 ( 2.187 -2.885 3.181) 4.819 26.835 ( 3.061 -2.657 1.221) 4.233 26.894 ( 0.605 -0.550 2.538) 2.666 26.966 ( -1.251 -1.668 0.715) 2.205 27.057 ( -2.736 -1.968 -0.681) 3.438 27.174 ( 0.698 -4.818 -0.603) 4.906 27.264 ( 1.294 -2.313 -1.339) 2.969 27.375 ( -1.877 -5.497 -1.556) 6.014 27.415 ( -1.543 -4.461 2.652) 5.414 27.488 ( 1.725 -7.113 -0.371) 7.329 29.275 ( 0.237 8.627 1.770) 8.810 29.329 ( 3.089 9.006 -1.032) 9.577 29.492 ( 0.561 0.515 4.227) 4.295 29.665 ( -0.379 5.115 -2.489) 5.701 29.767 ( -0.563 -0.397 -0.073) 0.693 29.820 ( -3.172 -2.767 -0.131) 4.211 30.125 ( -0.387 -11.345 -0.228) 11.354 30.220 ( 0.294 -11.199 -4.030) 11.905 ======================= Grid point 58 (29/50) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -0.495 5.819 6.994) 9.112 1.952 ( 1.042 -1.153 -0.480) 1.627 2.069 ( -8.193 4.112 6.094) 11.007 2.278 ( -2.936 1.289 0.303) 3.221 2.354 ( -1.298 4.594 -0.396) 4.790 2.416 ( 1.432 -1.862 6.759) 7.155 2.516 ( 4.928 6.242 13.553) 15.714 2.574 ( 4.200 4.764 -5.114) 8.154 2.646 ( -1.009 13.592 0.839) 13.655 2.805 ( -1.691 7.595 -7.607) 10.881 2.854 ( -2.643 0.603 -3.029) 4.065 2.908 ( 0.257 0.922 -6.145) 6.219 3.026 ( 0.141 -4.363 5.811) 7.268 3.142 ( -2.298 -3.802 -6.690) 8.030 3.212 ( -5.392 -3.964 -1.847) 6.942 3.222 ( -1.983 0.084 3.798) 4.285 3.314 ( 0.759 0.703 -0.638) 1.216 3.370 ( 2.870 -6.156 -9.386) 11.586 3.429 ( -4.022 -2.505 3.818) 6.085 3.474 ( -2.101 -0.862 -5.994) 6.410 3.501 ( -3.447 -1.153 -5.977) 6.996 3.555 ( 0.380 -0.124 0.338) 0.524 3.632 ( 1.281 -1.924 3.828) 4.471 3.664 ( 1.345 -6.332 -2.723) 7.023 3.718 ( -3.310 2.029 1.149) 4.048 3.764 ( 3.172 -2.225 1.840) 4.289 3.817 ( -3.352 -3.311 0.883) 4.793 3.908 ( 5.263 -2.555 -2.283) 6.280 4.006 ( -1.905 -1.016 0.945) 2.357 4.022 ( -1.218 -1.690 -0.356) 2.114 4.138 ( -0.458 1.734 3.788) 4.191 4.184 ( -2.277 -4.620 -3.616) 6.293 4.200 ( -0.511 -3.296 -2.149) 3.967 4.251 ( -1.190 0.054 -1.769) 2.132 4.283 ( 0.471 -1.905 -2.829) 3.443 4.340 ( 1.314 -2.431 -5.199) 5.888 4.369 ( 3.517 0.941 2.622) 4.486 4.444 ( 1.992 2.832 -0.621) 3.518 4.463 ( 0.380 1.837 -2.220) 2.906 4.540 ( 10.758 4.953 7.448) 13.991 4.553 ( -4.044 1.179 -1.956) 4.645 4.604 ( -0.199 3.490 9.070) 9.720 4.646 ( -3.805 3.922 10.405) 11.752 4.682 ( 0.355 -0.454 -1.514) 1.620 4.714 ( -1.312 0.676 3.600) 3.891 4.753 ( -1.777 0.529 6.314) 6.580 4.793 ( -2.009 1.286 5.271) 5.786 4.852 ( -3.326 2.979 -0.829) 4.541 4.867 ( -2.537 -1.780 2.627) 4.062 4.938 ( -4.693 5.379 2.186) 7.466 5.004 ( 3.921 8.075 4.278) 9.944 5.063 ( 3.339 3.353 -1.591) 4.992 5.126 ( 0.787 4.783 -2.000) 5.244 5.158 ( 1.143 2.036 -5.924) 6.368 5.224 ( 7.633 8.362 -3.662) 11.899 5.299 ( 4.343 6.452 -3.346) 8.467 5.331 ( 1.030 1.817 -6.224) 6.565 5.376 ( -6.210 7.228 -1.032) 9.585 5.394 ( 4.476 4.453 0.751) 6.358 5.445 ( 1.323 8.259 3.794) 9.185 5.522 ( 3.064 1.907 4.085) 5.451 5.615 ( 1.924 5.921 -1.368) 6.374 5.637 ( -1.332 2.936 -0.163) 3.228 5.719 ( -4.506 4.510 0.280) 6.381 5.782 ( -2.399 2.023 -2.220) 3.844 5.798 ( 0.581 4.314 -1.148) 4.502 5.832 ( 2.680 1.645 -2.510) 4.023 5.861 ( -5.209 1.603 2.537) 6.012 5.898 ( -3.403 -1.966 0.304) 3.942 5.952 ( -2.681 3.327 0.002) 4.273 6.020 ( 0.195 -2.079 -3.333) 3.933 6.075 ( 1.820 3.645 -3.303) 5.245 6.107 ( 0.353 3.207 -1.301) 3.479 6.139 ( 0.251 3.428 4.322) 5.522 6.199 ( 6.395 -2.630 -2.631) 7.398 6.242 ( 3.069 3.223 3.565) 5.702 6.270 ( 4.127 0.530 0.909) 4.259 6.332 ( 1.749 2.281 2.204) 3.622 6.380 ( -1.677 3.079 4.054) 5.360 6.472 ( -0.558 3.726 -6.521) 7.531 6.482 ( -0.454 0.265 -2.632) 2.684 6.539 ( 1.054 1.964 -1.540) 2.709 6.613 ( 4.416 0.564 -2.593) 5.152 6.656 ( 2.006 3.437 0.314) 3.991 6.690 ( -2.117 -3.136 1.886) 4.228 6.745 ( -0.829 1.554 -0.666) 1.883 6.777 ( 0.300 -0.210 -1.512) 1.556 6.842 ( 1.465 4.091 -5.943) 7.362 6.870 ( -2.375 -0.928 4.192) 4.907 6.896 ( -3.496 2.090 -1.807) 4.456 6.955 ( -0.160 5.189 2.432) 5.732 7.011 ( 3.268 0.680 6.531) 7.334 7.031 ( -0.395 4.222 0.254) 4.248 7.104 ( -2.189 -0.540 -1.548) 2.735 7.218 ( 5.797 1.901 -11.128) 12.691 7.303 ( 1.108 -1.716 -2.150) 2.966 7.341 ( -1.005 0.268 4.880) 4.989 7.372 ( -3.277 2.578 2.053) 4.648 7.476 ( -3.065 -3.880 -3.814) 6.244 7.537 ( -2.039 0.759 2.677) 3.450 7.600 ( 7.202 -3.239 5.631) 9.699 7.680 ( -1.475 3.724 -1.797) 4.390 7.746 ( -5.661 4.525 0.785) 7.290 7.820 ( 0.250 0.311 3.120) 3.146 7.875 ( 0.005 4.978 -0.916) 5.062 7.963 ( -2.651 2.431 -3.312) 4.890 8.037 ( -0.354 -1.400 -1.112) 1.823 8.087 ( 0.620 2.627 2.211) 3.489 8.174 ( 0.847 3.020 -0.118) 3.138 8.262 ( -2.032 5.641 3.102) 6.751 8.291 ( 5.632 0.422 -2.922) 6.359 8.383 ( 4.191 2.764 -3.560) 6.155 8.594 ( -0.891 -5.955 1.187) 6.137 8.662 ( 0.912 -9.943 -0.207) 9.987 8.812 ( -4.540 -10.481 1.493) 11.520 8.861 ( -2.318 -2.906 -0.831) 3.809 8.965 ( -2.007 -4.577 0.563) 5.029 8.980 ( -0.693 -0.869 1.261) 1.681 9.046 ( -4.125 3.485 -1.242) 5.541 9.181 ( -4.429 -2.259 0.117) 4.973 9.333 ( 3.421 -6.473 2.911) 7.879 9.361 ( 4.857 4.007 2.137) 6.649 9.451 ( 1.591 -7.760 -2.778) 8.395 9.452 ( 1.221 -3.730 3.018) 4.951 9.585 ( -1.220 -2.948 -0.601) 3.247 9.594 ( 1.368 -5.015 -1.964) 5.557 9.723 ( 0.278 -2.645 -1.510) 3.058 9.738 ( -6.115 0.983 -6.596) 9.048 9.789 ( -0.560 -4.590 0.641) 4.669 9.940 ( 3.517 -1.804 0.889) 4.051 10.025 ( -1.715 -1.474 1.885) 2.944 10.053 ( -0.706 -8.035 7.846) 11.253 10.285 ( 7.420 -4.323 -0.398) 8.597 10.338 ( 4.103 -0.433 -2.948) 5.071 10.581 ( -0.141 -8.786 -5.942) 10.608 10.698 ( 4.676 -6.811 -1.201) 8.348 10.860 ( -1.960 -0.113 -0.133) 1.967 10.929 ( 0.317 1.156 -3.976) 4.153 10.996 ( 1.225 -1.100 2.022) 2.607 11.029 ( 1.719 1.938 -3.020) 3.979 11.065 ( -7.446 -0.223 -0.803) 7.493 11.178 ( -5.484 -2.218 0.233) 5.920 11.283 ( 3.535 -3.647 0.310) 5.088 11.310 ( -4.456 1.489 2.971) 5.559 11.425 ( -2.121 3.450 8.610) 9.515 11.583 ( 2.058 6.390 9.230) 11.413 11.848 ( 0.349 2.528 0.148) 2.556 11.866 ( -0.128 -1.152 -3.689) 3.867 11.915 ( 0.681 -5.070 1.706) 5.393 12.019 ( -0.432 -6.859 0.151) 6.875 12.207 ( 6.889 -4.764 2.187) 8.657 12.385 ( -2.925 -5.953 -10.281) 12.235 14.688 ( 3.694 6.717 2.631) 8.105 14.720 ( -0.113 4.056 -3.424) 5.309 14.765 ( 0.295 2.234 -3.589) 4.238 14.878 ( 5.688 2.924 0.467) 6.413 14.959 ( -3.235 4.150 -1.105) 5.377 14.990 ( 1.810 1.495 2.106) 3.154 15.072 ( -6.001 1.383 1.247) 6.284 15.198 ( -1.984 0.390 0.999) 2.255 15.256 ( -2.711 4.321 -0.017) 5.101 15.373 ( -4.653 1.542 -0.331) 4.913 15.414 ( -3.063 1.722 2.128) 4.108 15.483 ( 4.160 0.607 -1.756) 4.557 15.492 ( -1.659 2.714 1.140) 3.379 15.575 ( -1.233 0.339 -5.447) 5.595 15.608 ( 2.515 0.993 -0.514) 2.752 15.665 ( 2.333 2.097 0.705) 3.216 15.819 ( 1.283 0.083 1.160) 1.732 15.833 ( 0.316 0.530 1.367) 1.500 16.028 ( -3.554 0.144 -3.129) 4.737 16.137 ( -2.227 -2.201 2.355) 3.918 16.186 ( -1.392 -0.815 4.401) 4.687 16.206 ( -0.930 -1.792 2.027) 2.861 16.301 ( 5.150 -0.053 -2.932) 5.926 16.438 ( 1.968 -2.373 -0.632) 3.147 18.252 ( -1.340 41.887 -2.851) 42.005 18.520 ( 13.836 37.800 3.649) 40.417 18.558 ( -3.008 38.457 14.073) 41.061 18.920 ( -11.036 30.488 -19.947) 38.068 20.336 ( -3.246 -24.884 4.116) 25.430 20.410 ( -0.196 -22.851 4.204) 23.236 20.465 ( -0.745 -29.016 -2.869) 29.167 20.581 ( 1.278 -33.980 -1.361) 34.031 25.417 ( -2.694 3.061 -1.451) 4.329 25.440 ( -1.211 2.592 2.174) 3.593 25.559 ( 2.104 3.472 -0.784) 4.134 25.611 ( 1.487 2.068 -0.627) 2.623 25.877 ( -2.909 6.878 0.165) 7.470 25.948 ( 1.221 7.236 0.166) 7.340 25.999 ( -1.101 4.738 3.020) 5.726 26.140 ( -1.235 3.190 -3.664) 5.012 26.330 ( -0.286 -0.459 0.642) 0.839 26.363 ( 0.309 -0.664 -0.362) 0.817 26.544 ( 3.115 -0.879 -1.472) 3.556 26.585 ( 2.995 -0.493 0.804) 3.140 26.587 ( 0.997 -1.104 0.540) 1.583 26.686 ( 4.448 -0.824 1.337) 4.717 26.814 ( -0.887 -3.381 -1.499) 3.804 26.876 ( 1.880 0.926 -1.171) 2.400 26.935 ( -0.913 -3.225 0.111) 3.354 26.947 ( -1.213 -2.398 0.767) 2.795 27.041 ( 1.729 -3.471 5.270) 6.543 27.138 ( -1.110 -3.456 -3.598) 5.112 27.307 ( -1.488 -3.883 -2.081) 4.650 27.331 ( 2.584 -4.016 2.105) 5.219 27.407 ( -1.791 -5.187 1.214) 5.620 27.517 ( 1.582 -6.621 -0.453) 6.822 29.247 ( -2.575 9.239 -0.853) 9.629 29.414 ( 5.004 8.693 2.152) 10.259 29.424 ( -6.329 4.088 -2.178) 7.843 29.697 ( -2.662 7.555 -3.267) 8.651 29.794 ( 2.411 -8.219 2.069) 8.811 29.808 ( 6.474 -4.574 4.148) 8.947 30.083 ( -4.605 -9.801 -0.623) 10.847 30.164 ( -1.285 -10.899 -2.187) 11.190 ======================= Grid point 59 (30/50) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -2.143 9.045 9.759) 13.478 1.958 ( 0.383 4.919 4.778) 6.868 2.157 ( 3.046 1.038 12.681) 13.083 2.244 ( -6.427 0.978 0.051) 6.501 2.346 ( 7.158 1.264 -1.393) 7.401 2.467 ( -5.160 1.364 4.280) 6.841 2.532 ( -4.189 4.466 1.097) 6.220 2.595 ( -5.432 9.179 1.443) 10.763 2.704 ( -1.226 0.356 1.097) 1.683 2.779 ( 3.863 1.092 3.735) 5.484 2.849 ( 4.082 10.209 -2.763) 11.336 2.905 ( 4.462 0.136 0.442) 4.486 2.997 ( -5.184 -1.884 -4.827) 7.329 3.124 ( 2.214 -3.342 -3.432) 5.278 3.136 ( 8.149 0.073 -5.255) 9.697 3.233 ( 0.637 -3.121 3.131) 4.467 3.309 ( -0.362 0.106 0.925) 0.999 3.348 ( 4.331 -5.184 -2.831) 7.325 3.377 ( 1.933 0.353 -4.079) 4.527 3.434 ( 2.344 -0.036 -0.761) 2.465 3.507 ( 4.844 0.765 0.394) 4.919 3.586 ( -0.332 0.522 0.894) 1.087 3.648 ( 2.441 -7.403 -1.883) 8.019 3.664 ( -2.135 -4.084 4.499) 6.440 3.758 ( -0.639 -3.130 4.642) 5.635 3.785 ( -0.173 -1.694 1.091) 2.022 3.849 ( -2.116 -2.687 -0.266) 3.430 3.877 ( -1.189 -8.034 -3.275) 8.757 3.967 ( 2.784 2.652 -5.600) 6.793 4.038 ( 2.489 -1.751 0.711) 3.126 4.068 ( -5.523 -2.807 3.974) 7.360 4.136 ( -0.593 -0.335 -2.190) 2.294 4.217 ( 1.419 1.906 -4.752) 5.313 4.253 ( 0.109 0.062 1.160) 1.167 4.276 ( 2.929 0.554 -1.019) 3.150 4.349 ( 0.769 -1.447 -0.716) 1.788 4.388 ( -2.014 0.851 1.082) 2.440 4.425 ( 2.226 1.166 0.070) 2.514 4.468 ( 1.891 0.214 -3.450) 3.940 4.515 ( 1.095 -1.512 -0.643) 1.975 4.556 ( -7.544 1.871 -5.849) 9.727 4.618 ( -5.111 5.969 5.417) 9.544 4.658 ( -1.679 -0.033 -2.121) 2.705 4.685 ( -5.094 1.536 -0.116) 5.321 4.738 ( -2.029 0.716 -0.419) 2.192 4.777 ( -2.465 3.962 3.197) 5.656 4.816 ( -1.346 4.482 8.686) 9.866 4.844 ( -0.898 2.884 10.123) 10.564 4.864 ( -3.323 6.559 7.130) 10.242 4.927 ( -0.575 -1.562 2.887) 3.332 4.995 ( 0.577 3.231 -4.026) 5.194 5.066 ( -0.560 5.332 -0.341) 5.372 5.131 ( -0.759 0.478 3.714) 3.821 5.185 ( 0.194 8.577 -2.589) 8.962 5.241 ( -4.865 8.069 -1.215) 9.501 5.287 ( 3.462 4.962 -5.023) 7.864 5.327 ( 4.956 2.933 -0.053) 5.759 5.353 ( 3.207 0.723 -1.366) 3.560 5.405 ( -1.751 3.715 -1.889) 4.521 5.498 ( -0.242 3.654 -8.476) 9.233 5.529 ( -3.514 9.152 -0.547) 9.819 5.602 ( 4.386 0.229 -2.330) 4.971 5.663 ( 2.479 1.915 5.097) 5.983 5.721 ( -2.269 6.458 1.304) 6.968 5.759 ( 1.119 1.615 -3.469) 3.987 5.786 ( 2.232 4.692 3.660) 6.355 5.805 ( 1.138 0.365 -1.357) 1.808 5.837 ( -0.009 4.415 0.697) 4.470 5.890 ( 2.115 1.442 -1.331) 2.885 5.933 ( -1.228 3.595 -0.217) 3.805 5.995 ( 0.190 1.274 -0.020) 1.288 6.020 ( -2.715 -0.239 0.857) 2.857 6.148 ( 2.441 -4.447 -6.596) 8.321 6.208 ( 0.065 -1.717 2.387) 2.941 6.223 ( -0.225 2.903 -6.489) 7.112 6.271 ( -0.443 1.149 3.269) 3.494 6.286 ( 3.940 0.715 -5.213) 6.573 6.324 ( -5.666 4.723 0.524) 7.395 6.367 ( -0.565 1.116 2.499) 2.795 6.417 ( -6.484 3.849 -3.236) 8.206 6.484 ( -0.407 6.659 -0.407) 6.684 6.524 ( 1.591 1.648 -1.780) 2.901 6.576 ( 2.241 -0.271 -0.940) 2.445 6.624 ( -4.119 1.173 -3.195) 5.344 6.704 ( -0.404 2.039 -2.110) 2.962 6.725 ( 2.207 1.280 -0.882) 2.700 6.758 ( 1.078 -0.571 2.374) 2.669 6.811 ( -2.697 3.015 -0.011) 4.045 6.851 ( -4.631 1.798 2.026) 5.365 6.903 ( 7.416 2.903 1.252) 8.062 6.957 ( -4.149 4.109 -0.590) 5.869 6.998 ( 4.514 8.708 -5.458) 11.225 7.099 ( -0.089 1.212 2.759) 3.015 7.140 ( 4.917 -1.667 -3.706) 6.379 7.234 ( -4.623 -1.599 -2.566) 5.524 7.301 ( 2.192 2.682 4.793) 5.914 7.326 ( 0.046 3.507 -2.980) 4.603 7.425 ( 0.648 1.484 4.861) 5.124 7.453 ( 6.036 -5.172 4.341) 9.057 7.620 ( -2.660 -1.482 -0.056) 3.046 7.645 ( 0.180 -2.766 3.792) 4.696 7.654 ( 3.063 2.753 3.003) 5.097 7.770 ( -0.621 1.819 1.219) 2.275 7.819 ( -0.333 -2.861 3.013) 4.168 7.874 ( -3.778 0.154 1.928) 4.244 7.928 ( 4.583 2.999 -1.962) 5.818 8.034 ( 3.163 2.811 1.060) 4.362 8.094 ( -2.822 0.128 -1.508) 3.202 8.143 ( -0.565 6.482 -4.452) 7.884 8.213 ( -6.679 7.421 1.871) 10.158 8.261 ( 0.481 2.271 -6.646) 7.040 8.367 ( -1.999 3.456 -6.031) 7.233 8.651 ( 0.529 -12.076 0.119) 12.089 8.677 ( 5.965 -8.347 -0.322) 10.264 8.774 ( -2.102 -6.865 3.536) 8.003 8.865 ( 1.981 -4.334 1.343) 4.951 8.945 ( -0.510 -3.479 3.901) 5.251 9.019 ( -0.341 -3.291 5.953) 6.811 9.063 ( 4.031 3.372 3.413) 6.267 9.147 ( 0.495 -1.031 -1.158) 1.628 9.311 ( -5.283 -4.409 -1.675) 7.083 9.395 ( -5.424 1.539 -2.828) 6.308 9.438 ( 0.976 -7.122 -3.309) 7.913 9.472 ( 1.971 -3.959 1.032) 4.542 9.527 ( -1.994 -0.356 -4.509) 4.943 9.560 ( 0.182 -2.855 -4.150) 5.040 9.677 ( 3.867 -8.567 1.714) 9.554 9.750 ( 1.285 -2.367 0.605) 2.761 9.858 ( 2.069 -0.924 7.193) 7.541 9.955 ( -2.583 -1.167 -0.898) 2.973 10.005 ( 0.931 0.550 0.306) 1.124 10.139 ( -1.477 -7.285 8.355) 11.182 10.374 ( 3.077 -2.383 -1.075) 4.038 10.389 ( 1.075 -4.199 -3.906) 5.834 10.463 ( -2.749 -6.700 -6.621) 9.812 10.675 ( -0.939 -8.862 -7.227) 11.474 10.837 ( -1.372 -0.042 -2.335) 2.709 10.885 ( 1.982 1.051 -0.128) 2.247 10.994 ( 3.476 0.984 -2.147) 4.202 11.042 ( -2.060 -0.264 -3.253) 3.860 11.101 ( 1.961 0.510 2.143) 2.949 11.145 ( 3.125 -0.451 7.541) 8.175 11.248 ( -1.589 0.443 -0.496) 1.723 11.323 ( -1.349 -3.250 1.594) 3.863 11.465 ( -5.264 0.089 10.733) 11.955 11.634 ( -5.105 6.499 7.552) 11.195 11.774 ( -2.975 -1.617 -5.846) 6.756 11.840 ( 1.730 2.141 -3.554) 4.495 11.926 ( -0.814 -7.653 1.367) 7.817 12.078 ( 1.428 -5.262 2.198) 5.879 12.218 ( -5.840 -1.481 -4.493) 7.516 12.361 ( 10.868 -6.174 -3.807) 13.066 14.675 ( -1.656 4.709 -1.158) 5.124 14.719 ( -0.393 1.723 -2.844) 3.348 14.806 ( 6.200 5.346 -2.189) 8.474 14.863 ( -3.664 4.698 -2.732) 6.554 15.013 ( 2.053 2.096 2.708) 3.992 15.018 ( 1.529 3.793 6.380) 7.578 15.041 ( -1.918 1.524 2.077) 3.212 15.184 ( 2.222 4.049 0.893) 4.704 15.241 ( 0.830 1.606 1.419) 2.297 15.332 ( -2.387 2.077 0.840) 3.274 15.373 ( -1.935 -0.312 -0.025) 1.960 15.462 ( 2.517 -0.036 -2.612) 3.627 15.517 ( -2.485 0.654 2.179) 3.369 15.581 ( 3.521 1.023 -2.730) 4.572 15.637 ( 2.850 -0.158 -1.495) 3.223 15.689 ( 0.655 1.738 -0.108) 1.861 15.797 ( -3.011 2.559 2.161) 4.504 15.918 ( 1.837 0.428 6.647) 6.910 15.971 ( 1.545 1.616 -4.535) 5.056 16.103 ( -2.694 -3.337 -0.959) 4.394 16.171 ( -2.830 -2.023 3.402) 4.866 16.224 ( -0.400 -0.596 2.524) 2.624 16.329 ( 1.537 -0.181 -3.966) 4.258 16.423 ( -1.716 -2.089 -2.491) 3.676 18.237 ( 1.910 42.244 -0.962) 42.298 18.501 ( -10.004 38.620 -10.024) 41.135 18.579 ( -9.031 37.804 9.889) 40.106 18.935 ( 22.381 29.944 -0.039) 37.384 20.295 ( -4.281 -22.759 2.437) 23.286 20.441 ( 1.809 -28.775 -2.834) 28.971 20.452 ( -1.079 -25.047 5.113) 25.587 20.598 ( 1.268 -33.893 -0.514) 33.921 25.386 ( 0.047 2.967 0.213) 2.975 25.452 ( 0.432 2.232 0.938) 2.460 25.598 ( 2.800 4.475 1.446) 5.473 25.674 ( 2.454 2.055 4.782) 5.754 25.793 ( -2.985 6.544 -3.675) 8.078 25.915 ( -5.485 4.797 -4.794) 8.722 25.988 ( 0.394 7.128 2.339) 7.512 26.135 ( 3.048 3.013 -2.099) 4.772 26.336 ( 0.017 -0.563 0.807) 0.984 26.365 ( -0.018 -1.516 -0.408) 1.570 26.563 ( 0.123 0.563 0.600) 0.832 26.596 ( 0.277 -1.031 -0.664) 1.257 26.636 ( 0.658 -2.737 0.251) 2.826 26.699 ( -3.726 -2.170 -1.974) 4.742 26.752 ( -1.414 -1.773 -3.236) 3.952 26.840 ( -1.091 -0.813 -4.241) 4.454 26.940 ( 1.360 0.566 1.104) 1.841 26.985 ( 0.268 -3.309 1.125) 3.506 27.027 ( -3.033 -3.169 1.474) 4.627 27.153 ( 1.167 -5.167 0.196) 5.301 27.290 ( 2.251 -2.399 0.374) 3.311 27.365 ( -2.041 -3.830 -0.931) 4.439 27.411 ( 1.155 -5.604 3.408) 6.660 27.523 ( -0.463 -6.673 -1.076) 6.775 29.218 ( 0.564 8.877 -0.595) 8.915 29.313 ( -1.672 5.043 -3.477) 6.349 29.511 ( 0.963 7.498 2.119) 7.851 29.616 ( -0.606 7.140 -2.846) 7.710 29.813 ( -0.269 -5.195 3.257) 6.137 29.959 ( -7.087 -5.712 -0.127) 9.104 30.016 ( 7.354 -10.512 3.185) 13.219 30.159 ( 2.108 -10.618 -0.760) 10.851 ======================= Grid point 60 (31/50) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -3.440 11.550 5.263) 13.150 2.082 ( 3.705 15.072 4.003) 16.028 2.115 ( -7.509 2.903 2.085) 8.316 2.215 ( -0.687 8.966 7.666) 11.816 2.369 ( -3.377 10.904 -0.136) 11.416 2.404 ( -7.115 6.526 -0.006) 9.655 2.458 ( 1.065 4.764 -0.117) 4.883 2.600 ( -0.663 1.494 -3.263) 3.650 2.703 ( -11.256 -4.065 -2.190) 12.166 2.758 ( 1.613 -2.702 10.466) 10.928 2.904 ( 10.792 -3.868 -0.335) 11.470 2.961 ( 3.060 -5.447 3.107) 6.978 3.086 ( 8.157 -5.124 -0.196) 9.635 3.116 ( 6.268 -5.750 -11.474) 14.283 3.182 ( 2.771 0.297 -6.206) 6.802 3.312 ( 2.919 -2.143 -3.033) 4.724 3.355 ( 4.244 -0.886 -0.954) 4.439 3.388 ( -0.168 -1.772 -2.266) 2.881 3.427 ( 2.993 -1.971 0.497) 3.618 3.518 ( 5.656 -1.149 -2.515) 6.295 3.545 ( 0.955 6.397 -5.343) 8.389 3.634 ( 1.204 -1.622 2.727) 3.393 3.649 ( -0.889 -6.676 -3.066) 7.400 3.664 ( 0.642 -6.379 0.058) 6.411 3.716 ( 2.272 0.289 0.481) 2.340 3.781 ( 0.084 -2.719 -0.147) 2.725 3.833 ( -2.786 -5.296 2.386) 6.442 3.880 ( -0.630 -5.720 3.669) 6.825 3.968 ( 3.134 4.907 -4.751) 7.515 4.017 ( -2.377 2.300 2.766) 4.311 4.096 ( 0.839 -1.087 2.014) 2.437 4.139 ( 1.682 4.380 -0.028) 4.692 4.210 ( 0.892 1.304 -1.778) 2.379 4.248 ( -2.423 0.014 -1.662) 2.938 4.277 ( 2.181 1.695 0.913) 2.909 4.352 ( -0.024 -0.318 -1.593) 1.624 4.383 ( 0.832 3.314 0.369) 3.437 4.414 ( -1.893 -4.416 -2.249) 5.306 4.464 ( -1.220 1.352 0.661) 1.938 4.470 ( -3.209 4.565 -3.992) 6.860 4.503 ( 1.097 2.362 -0.075) 2.605 4.533 ( -1.557 -1.334 1.680) 2.651 4.606 ( -3.329 -2.830 5.932) 7.368 4.661 ( 1.065 -0.508 -1.405) 1.834 4.704 ( -3.506 6.145 2.460) 7.490 4.727 ( -2.609 2.898 5.071) 6.397 4.838 ( -0.847 2.387 0.967) 2.711 4.868 ( -1.294 5.668 3.712) 6.897 4.920 ( -4.381 2.743 10.133) 11.375 4.950 ( -3.919 2.718 6.084) 7.730 5.005 ( -3.223 4.589 3.719) 6.729 5.022 ( -0.429 0.548 1.182) 1.372 5.132 ( -3.525 7.739 1.524) 8.640 5.149 ( -0.250 0.359 1.368) 1.436 5.190 ( -4.946 4.036 -4.193) 7.638 5.220 ( 0.959 5.012 -1.425) 5.298 5.290 ( -2.936 4.789 -1.977) 5.955 5.386 ( 1.729 -2.937 0.150) 3.412 5.434 ( -0.180 6.758 -8.611) 10.948 5.449 ( -1.823 8.193 2.296) 8.701 5.508 ( 10.118 -0.787 -0.232) 10.151 5.603 ( -5.174 0.386 -5.776) 7.765 5.636 ( 1.856 2.511 -7.332) 7.969 5.739 ( 1.123 3.628 0.141) 3.800 5.779 ( 5.308 0.536 1.050) 5.437 5.804 ( 0.311 1.426 -0.515) 1.547 5.856 ( 4.059 2.413 -4.038) 6.213 5.866 ( 1.978 -1.400 0.962) 2.608 5.892 ( -2.625 2.249 2.499) 4.265 5.978 ( -2.042 4.508 3.496) 6.059 6.009 ( 2.185 2.281 0.169) 3.163 6.076 ( 3.252 -0.627 0.437) 3.341 6.088 ( -0.728 6.800 -0.942) 6.903 6.136 ( -3.627 -2.281 -0.096) 4.285 6.151 ( -3.249 0.471 0.107) 3.284 6.220 ( -1.564 2.314 0.035) 2.793 6.249 ( -3.627 2.710 -1.397) 4.738 6.290 ( -1.257 4.791 -1.656) 5.222 6.376 ( 0.893 -1.544 -0.646) 1.897 6.400 ( -2.047 1.894 2.316) 3.625 6.446 ( 4.042 3.928 2.689) 6.245 6.553 ( 3.172 -3.043 -1.789) 4.746 6.571 ( 0.733 2.055 1.070) 2.430 6.622 ( -6.093 3.778 -0.291) 7.175 6.659 ( -5.000 3.891 -2.475) 6.802 6.708 ( -0.225 5.933 -1.447) 6.111 6.750 ( 1.651 1.933 6.550) 7.026 6.789 ( 0.030 0.603 -1.340) 1.469 6.800 ( 2.013 4.653 -1.394) 5.258 6.889 ( -2.865 -0.086 -0.571) 2.923 6.984 ( 3.227 7.396 -6.335) 10.259 7.059 ( 5.519 2.917 -5.120) 8.073 7.133 ( 2.791 2.994 -0.590) 4.135 7.181 ( 4.809 -1.105 1.479) 5.151 7.238 ( 2.384 0.166 -1.465) 2.803 7.336 ( -4.301 5.226 3.420) 7.584 7.430 ( -2.877 -3.470 3.008) 5.419 7.465 ( 9.247 -0.670 -1.471) 9.387 7.509 ( 2.417 3.150 0.214) 3.976 7.578 ( -1.885 -5.512 -0.236) 5.830 7.661 ( -6.168 4.946 0.940) 7.962 7.679 ( -1.200 -1.814 4.012) 4.563 7.716 ( -4.679 -2.007 -0.255) 5.098 7.811 ( 0.488 5.463 4.062) 6.825 7.859 ( -4.685 -4.379 -0.837) 6.467 7.988 ( 4.195 0.600 -2.026) 4.698 8.010 ( -0.168 2.412 -0.617) 2.495 8.090 ( -0.571 5.437 -2.386) 5.965 8.101 ( 1.249 -1.214 -5.260) 5.540 8.163 ( 1.061 6.464 3.016) 7.211 8.255 ( -0.111 3.654 -2.015) 4.174 8.270 ( -0.412 1.395 1.581) 2.148 8.636 ( 0.289 -11.825 -1.451) 11.917 8.772 ( -2.111 -5.840 3.120) 6.950 8.801 ( 5.576 -9.790 -3.804) 11.891 8.923 ( 1.619 -0.895 -1.553) 2.416 9.011 ( 0.657 -5.074 8.808) 10.186 9.035 ( -2.566 -5.521 3.951) 7.258 9.111 ( 0.717 -1.508 -4.742) 5.028 9.158 ( 1.745 2.972 -0.931) 3.570 9.270 ( -0.180 -7.065 1.691) 7.267 9.319 ( 1.107 5.779 -0.622) 5.917 9.391 ( -1.076 -3.102 -0.323) 3.299 9.412 ( -5.460 0.312 -0.987) 5.557 9.524 ( 2.107 -6.025 1.658) 6.594 9.596 ( 5.191 -9.331 -4.470) 11.576 9.702 ( -0.604 -5.284 -1.016) 5.415 9.827 ( 3.499 -2.015 1.083) 4.180 9.878 ( -2.679 -0.159 3.647) 4.527 9.918 ( -1.916 -4.721 -2.000) 5.473 10.025 ( -3.569 1.654 5.172) 6.498 10.178 ( -2.134 -0.950 0.755) 2.455 10.230 ( -3.896 0.799 -0.658) 4.031 10.396 ( -3.599 -5.714 -3.928) 7.813 10.438 ( 5.188 -2.733 -1.257) 5.997 10.578 ( 0.078 -10.525 -6.951) 12.614 10.825 ( 2.433 1.544 -2.687) 3.940 10.942 ( 2.453 1.004 0.912) 2.803 11.010 ( 4.243 0.511 -1.641) 4.578 11.083 ( 1.182 -1.658 0.191) 2.046 11.150 ( 3.096 1.154 -0.559) 3.351 11.187 ( 1.092 -0.118 1.960) 2.246 11.279 ( -3.234 -0.908 3.110) 4.577 11.328 ( 1.899 -2.783 1.016) 3.519 11.439 ( -6.983 -1.343 8.210) 10.862 11.571 ( -8.868 3.443 4.504) 10.525 11.703 ( 0.693 5.084 -1.608) 5.377 11.852 ( 3.224 0.369 -3.191) 4.551 11.926 ( -0.568 -10.468 2.617) 10.805 12.015 ( -6.723 -2.269 2.308) 7.462 12.150 ( -2.915 -2.276 1.809) 4.117 12.494 ( 10.030 -6.103 -9.456) 15.075 14.636 ( -0.958 2.923 -0.872) 3.197 14.714 ( 1.353 0.882 -0.242) 1.633 14.786 ( -0.814 3.101 -3.149) 4.494 14.863 ( 1.294 3.578 -0.425) 3.829 14.948 ( -4.906 -0.445 0.576) 4.959 15.036 ( -1.010 0.771 0.740) 1.471 15.181 ( 2.957 7.146 5.138) 9.285 15.254 ( 4.951 5.392 -3.335) 8.044 15.281 ( 0.889 4.081 -1.737) 4.523 15.347 ( 5.416 3.344 2.662) 6.899 15.383 ( 1.006 4.121 1.895) 4.646 15.469 ( -1.716 -1.594 0.561) 2.409 15.503 ( 3.509 1.527 -3.705) 5.326 15.592 ( -0.592 2.345 0.051) 2.419 15.630 ( -2.382 -0.079 -1.546) 2.841 15.701 ( 0.534 1.409 -2.161) 2.635 15.756 ( -2.172 0.178 0.553) 2.248 15.976 ( -1.285 -2.214 -1.623) 3.031 16.027 ( 1.453 -0.892 7.852) 8.035 16.049 ( 3.451 -0.918 -3.481) 4.987 16.161 ( -2.536 -2.078 3.800) 5.019 16.250 ( -0.562 -1.749 2.402) 3.025 16.291 ( -0.507 -0.044 -2.786) 2.832 16.343 ( -3.618 -1.749 -1.387) 4.251 18.281 ( -1.986 42.599 -1.438) 42.669 18.309 ( 1.097 40.816 1.346) 40.853 18.491 ( -9.105 39.850 5.324) 41.222 19.286 ( 18.854 19.793 -11.535) 29.669 20.261 ( -2.144 -19.003 4.028) 19.543 20.446 ( -3.998 -26.077 3.978) 26.679 20.473 ( 2.526 -31.299 -1.172) 31.423 20.606 ( 0.627 -32.957 -1.721) 33.008 25.411 ( 1.282 3.039 1.359) 3.567 25.468 ( 2.029 2.464 -2.112) 3.827 25.657 ( -1.263 5.353 -0.896) 5.572 25.726 ( 0.194 4.460 -2.149) 4.954 25.763 ( -3.538 3.914 -2.650) 5.904 25.790 ( 2.648 2.888 8.316) 9.193 26.010 ( 0.214 6.441 0.557) 6.468 26.170 ( 3.663 1.495 -2.914) 4.914 26.341 ( -0.219 -0.338 0.471) 0.619 26.358 ( -0.194 -1.138 -0.668) 1.334 26.525 ( -5.926 -0.969 -0.530) 6.028 26.577 ( -1.290 -0.419 0.254) 1.380 26.599 ( -0.279 0.991 -0.605) 1.194 26.651 ( -1.983 -1.796 1.463) 3.049 26.727 ( 0.534 -2.141 0.840) 2.361 26.812 ( 0.325 -2.401 -2.240) 3.300 26.894 ( -3.553 0.068 0.303) 3.567 26.968 ( -0.106 -0.772 0.961) 1.237 27.078 ( 0.060 -2.877 2.961) 4.129 27.153 ( 1.052 -4.136 -1.461) 4.511 27.303 ( -1.654 -3.176 -3.095) 4.733 27.358 ( 2.004 -3.797 2.675) 5.059 27.440 ( -1.841 -5.064 2.190) 5.816 27.485 ( -0.925 -7.554 -1.698) 7.797 29.250 ( 1.601 8.139 1.807) 8.489 29.279 ( 2.362 6.611 -4.155) 8.158 29.482 ( -2.974 4.631 1.403) 5.680 29.653 ( 3.907 7.578 -0.416) 8.536 29.812 ( -3.990 -5.562 1.536) 7.016 29.870 ( -3.087 -0.855 1.283) 3.450 30.111 ( 2.016 -11.458 0.375) 11.640 30.212 ( 4.244 -11.067 -2.619) 12.138 ======================= Grid point 61 (32/50) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -5.988 10.120 -5.918) 13.164 2.138 ( -3.143 2.310 -1.301) 4.112 2.162 ( -7.759 1.473 -9.453) 12.318 2.297 ( -4.052 -8.073 -3.693) 9.758 2.456 ( 3.594 2.189 6.699) 7.911 2.492 ( 7.410 2.344 7.459) 10.772 2.544 ( -8.333 3.624 5.756) 10.757 2.618 ( -8.297 -1.746 -2.641) 8.880 2.725 ( 5.487 3.260 1.583) 6.576 2.781 ( -2.060 -1.483 0.150) 2.543 2.891 ( 2.445 2.243 0.750) 3.402 2.985 ( 0.844 11.273 -2.628) 11.606 3.015 ( 1.932 -1.329 -4.146) 4.763 3.112 ( -0.788 -3.706 -3.908) 5.443 3.158 ( 0.197 -3.440 8.157) 8.855 3.241 ( 0.091 -0.164 -2.989) 2.995 3.276 ( 1.949 -3.475 0.996) 4.107 3.298 ( 3.660 -6.570 -5.098) 9.085 3.451 ( 0.091 -2.542 -6.158) 6.662 3.465 ( 1.893 -2.301 -3.949) 4.947 3.524 ( 2.856 2.614 -0.219) 3.878 3.556 ( -0.185 -0.196 -2.829) 2.842 3.587 ( -0.318 -1.494 -0.380) 1.574 3.653 ( 3.418 -5.323 4.390) 7.700 3.659 ( -4.850 0.824 0.309) 4.929 3.723 ( 2.746 -5.055 3.018) 6.496 3.857 ( -3.297 1.681 -3.515) 5.104 3.881 ( -2.821 2.441 -2.982) 4.776 3.975 ( -1.498 -0.430 -3.655) 3.974 4.051 ( 1.370 -3.081 -0.675) 3.439 4.101 ( 1.248 3.838 0.121) 4.038 4.127 ( -1.007 -3.657 -2.675) 4.641 4.160 ( -0.269 -3.642 2.392) 4.366 4.195 ( 0.123 -2.937 -3.158) 4.314 4.303 ( 2.437 -0.147 -1.294) 2.764 4.305 ( -0.107 -0.790 -2.554) 2.675 4.381 ( 0.251 1.771 -1.622) 2.415 4.407 ( 0.517 -0.780 -1.827) 2.052 4.454 ( -2.540 2.988 -1.195) 4.100 4.493 ( -0.022 -0.826 -0.344) 0.895 4.576 ( -0.622 1.611 6.954) 7.165 4.601 ( 0.430 -0.549 6.475) 6.512 4.630 ( 3.275 1.246 7.747) 8.502 4.662 ( 0.003 -1.312 6.034) 6.175 4.775 ( -4.084 2.754 0.755) 4.984 4.799 ( -2.990 0.793 2.362) 3.892 4.824 ( -2.239 0.194 -0.876) 2.413 4.844 ( -1.114 -0.884 0.056) 1.423 4.950 ( -1.039 6.083 1.064) 6.262 5.039 ( 0.768 0.085 0.012) 0.773 5.054 ( 0.198 2.279 -1.941) 3.000 5.127 ( 0.478 7.617 0.951) 7.691 5.144 ( -1.416 -3.420 2.053) 4.233 5.189 ( 1.149 1.706 3.272) 3.864 5.222 ( -1.481 2.435 4.122) 5.011 5.278 ( 0.971 -4.317 3.557) 5.677 5.334 ( 4.951 -1.331 -3.815) 6.390 5.361 ( 3.928 -2.238 2.133) 4.999 5.468 ( 0.593 3.341 1.431) 3.683 5.494 ( 0.760 2.979 -1.934) 3.632 5.607 ( 1.410 1.507 -0.586) 2.145 5.690 ( 3.490 -4.054 0.112) 5.350 5.745 ( -1.530 11.846 4.066) 12.618 5.771 ( 0.194 4.067 -3.479) 5.356 5.818 ( 3.191 2.253 0.233) 3.913 5.862 ( -1.991 8.020 -2.834) 8.736 5.903 ( 2.509 -4.154 0.562) 4.886 5.967 ( -2.084 1.956 4.678) 5.482 5.977 ( -0.445 3.501 -2.917) 4.579 6.005 ( -2.691 0.459 -3.384) 4.348 6.016 ( -0.710 2.590 4.429) 5.180 6.067 ( 3.120 -1.271 -1.419) 3.656 6.087 ( 0.164 -3.277 -3.358) 4.694 6.092 ( -0.836 -1.837 -6.277) 6.593 6.184 ( 0.911 -1.538 -1.152) 2.127 6.224 ( 3.318 2.167 0.643) 4.014 6.309 ( 3.098 0.396 2.341) 3.903 6.353 ( 0.766 0.526 3.347) 3.474 6.375 ( -2.618 -4.638 -1.609) 5.564 6.412 ( 0.019 -3.184 0.803) 3.284 6.493 ( 3.377 4.845 0.454) 5.923 6.544 ( 3.332 1.503 -0.341) 3.671 6.597 ( -3.106 0.756 1.818) 3.678 6.632 ( -2.539 -2.290 2.285) 4.113 6.655 ( -0.466 1.676 5.712) 5.971 6.673 ( -1.432 -3.344 9.233) 9.924 6.828 ( 0.179 6.600 6.681) 9.393 6.886 ( 1.292 2.929 1.722) 3.635 6.987 ( 1.386 5.690 -1.926) 6.165 7.016 ( -1.631 5.010 -1.365) 5.442 7.054 ( -2.299 2.680 -5.309) 6.376 7.090 ( -2.931 1.291 -5.669) 6.511 7.133 ( -0.722 0.990 -4.812) 4.965 7.177 ( 5.014 -6.986 -2.145) 8.863 7.245 ( 2.417 1.176 0.623) 2.760 7.298 ( 0.089 1.408 0.021) 1.411 7.354 ( -0.686 0.122 -6.873) 6.908 7.448 ( -4.825 -1.506 -3.234) 6.000 7.480 ( -7.695 6.031 -3.288) 10.315 7.596 ( -3.345 5.723 -3.434) 7.465 7.660 ( -2.448 -1.826 2.403) 3.886 7.738 ( -1.733 -5.498 4.426) 7.268 7.803 ( 4.389 5.636 0.892) 7.199 7.820 ( 2.627 3.221 5.243) 6.691 7.941 ( 3.900 -0.483 1.265) 4.129 7.971 ( 3.219 -6.614 2.391) 7.734 8.056 ( 4.373 0.664 3.218) 5.470 8.108 ( -1.360 -0.345 -2.834) 3.162 8.134 ( -4.687 -1.374 -0.463) 4.906 8.151 ( -1.975 -0.694 2.176) 3.019 8.295 ( 3.030 6.472 1.152) 7.238 8.408 ( 1.142 -0.836 2.535) 2.903 8.559 ( -1.282 6.053 1.133) 6.290 8.670 ( 0.283 5.468 -4.582) 7.139 8.751 ( -2.685 0.462 0.893) 2.867 8.791 ( -0.277 -3.625 2.645) 4.496 8.878 ( -1.072 2.128 -4.504) 5.095 8.918 ( 0.044 -8.303 -1.554) 8.448 9.005 ( 1.436 -16.300 -2.034) 16.489 9.127 ( 0.374 -12.420 -4.741) 13.299 9.232 ( 4.139 2.297 3.355) 5.802 9.279 ( -3.001 0.457 -1.344) 3.320 9.337 ( -0.106 -0.945 -1.169) 1.507 9.377 ( 0.999 -3.696 -2.342) 4.488 9.441 ( 2.335 -1.711 5.591) 6.296 9.478 ( 2.233 -4.081 3.074) 5.576 9.690 ( -3.432 1.916 1.732) 4.295 9.763 ( -4.129 -4.202 -1.229) 6.018 9.825 ( 3.073 1.923 -0.457) 3.654 9.891 ( 0.585 -3.662 -1.334) 3.941 9.999 ( -2.734 5.226 -5.870) 8.321 10.113 ( -4.280 -4.940 -6.689) 9.353 10.258 ( 1.789 3.947 -0.537) 4.366 10.283 ( -1.441 1.321 -2.162) 2.914 10.446 ( 2.912 -3.412 3.416) 5.638 10.471 ( 5.504 -4.538 3.339) 7.876 10.913 ( 2.163 5.101 -0.728) 5.588 10.973 ( -0.875 -0.368 0.079) 0.952 11.023 ( 0.088 2.749 -4.298) 5.103 11.108 ( -3.307 -3.142 -4.925) 6.713 11.131 ( 4.790 0.207 0.168) 4.797 11.180 ( -1.122 -1.999 -0.630) 2.377 11.252 ( -0.749 1.572 0.245) 1.759 11.306 ( 1.361 -3.406 0.589) 3.715 11.550 ( -7.545 6.786 5.225) 11.414 11.574 ( 0.847 8.704 7.761) 11.693 11.712 ( -6.075 -7.591 4.392) 10.668 11.767 ( 0.798 -7.390 5.949) 9.521 11.923 ( 4.362 2.981 0.829) 5.348 11.988 ( 5.150 -2.565 0.154) 5.755 12.141 ( -3.415 8.682 -1.868) 9.514 12.338 ( 0.634 -9.536 -7.889) 12.392 14.731 ( 2.242 4.693 1.816) 5.509 14.776 ( 1.309 0.707 2.907) 3.265 14.828 ( -0.012 2.139 -1.178) 2.442 14.851 ( -0.894 0.266 -1.162) 1.490 14.966 ( 1.959 1.306 1.713) 2.912 15.006 ( 2.381 -2.108 0.160) 3.184 15.213 ( -4.237 3.036 -6.319) 8.192 15.262 ( -5.758 -1.070 -6.125) 8.474 15.430 ( -2.799 3.020 0.160) 4.120 15.470 ( 1.751 0.425 -1.968) 2.668 15.484 ( -1.247 3.638 0.778) 3.924 15.533 ( -3.340 2.564 1.353) 4.422 15.565 ( 3.500 -0.923 0.006) 3.620 15.583 ( -1.038 -0.330 1.816) 2.118 15.636 ( 5.010 3.069 -2.626) 6.435 15.668 ( 1.047 -0.439 -3.848) 4.012 15.751 ( -0.443 2.682 1.236) 2.986 15.821 ( -1.439 -3.704 -1.567) 4.272 16.053 ( -1.231 -1.694 3.612) 4.175 16.074 ( -1.404 -3.221 2.939) 4.580 16.166 ( 0.018 0.830 1.774) 1.959 16.189 ( -3.031 -0.348 0.304) 3.066 16.250 ( 2.706 1.225 0.479) 3.009 16.310 ( 3.671 -3.586 0.640) 5.171 19.083 ( 3.958 35.493 0.699) 35.720 19.119 ( -2.856 36.592 0.436) 36.706 19.237 ( -0.772 35.782 5.235) 36.171 19.635 ( 0.890 8.574 -8.450) 12.071 19.783 ( -0.876 -20.905 0.764) 20.937 19.831 ( -0.139 -33.272 -0.166) 33.273 19.928 ( -0.723 -31.989 0.740) 32.005 20.028 ( -0.500 -17.421 -2.335) 17.584 25.490 ( -0.310 1.937 0.552) 2.037 25.509 ( -0.156 0.173 -0.293) 0.374 25.627 ( -2.101 2.642 -5.225) 6.220 25.661 ( -1.932 -0.505 -4.484) 4.908 25.928 ( 2.767 3.290 6.354) 7.671 25.963 ( 2.297 -0.079 8.018) 8.341 26.107 ( -0.173 4.935 -2.388) 5.486 26.180 ( 0.976 -2.142 -2.276) 3.274 26.335 ( -0.380 0.922 0.614) 1.171 26.354 ( 0.869 -0.537 0.542) 1.156 26.485 ( 0.391 0.747 0.560) 1.012 26.518 ( -0.504 -2.248 -0.605) 2.382 26.621 ( -1.503 1.110 0.699) 1.994 26.626 ( -0.162 0.419 0.696) 0.828 26.724 ( 1.652 -0.840 2.283) 2.941 26.760 ( 2.880 -3.824 1.183) 4.932 26.907 ( -0.341 1.404 1.179) 1.865 26.939 ( -0.881 -1.506 0.234) 1.760 27.046 ( -0.649 0.820 -1.229) 1.613 27.089 ( 0.477 -3.311 -1.595) 3.706 27.241 ( 0.234 0.246 -0.611) 0.699 27.279 ( -1.181 -3.511 -0.870) 3.805 27.351 ( -0.687 -1.276 1.084) 1.810 27.375 ( 1.079 -3.576 0.453) 3.763 29.394 ( 2.355 3.555 2.278) 4.834 29.431 ( 4.226 0.384 3.093) 5.251 29.515 ( -3.119 3.580 -0.309) 4.758 29.606 ( -3.594 -5.285 -1.425) 6.548 29.819 ( 0.593 4.869 -0.321) 4.916 29.887 ( -1.295 0.594 -3.246) 3.545 29.976 ( -0.044 -1.534 0.652) 1.668 30.048 ( -0.426 -6.100 -2.658) 6.668 ======================= Grid point 62 (33/50) ======================= q-point: ( 0.25 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 0.523 7.013 2.446) 7.445 2.008 ( 0.685 5.129 2.000) 5.548 2.103 ( -2.105 -0.135 2.306) 3.125 2.237 ( 1.845 -9.144 -3.371) 9.918 2.338 ( -13.525 4.938 2.134) 14.556 2.444 ( -7.276 -3.211 4.802) 9.290 2.552 ( -0.213 5.463 6.066) 8.166 2.678 ( -0.605 -2.577 3.259) 4.198 2.809 ( 5.800 0.382 1.712) 6.059 2.859 ( -5.407 1.268 -6.100) 8.249 2.884 ( 6.579 -0.845 0.929) 6.698 2.940 ( -0.111 0.697 3.490) 3.561 2.997 ( 4.924 4.131 -3.958) 7.549 3.094 ( 3.258 2.819 -6.274) 7.611 3.191 ( -1.996 -4.175 -1.689) 4.926 3.215 ( -3.511 2.719 4.566) 6.369 3.235 ( -4.528 0.477 1.099) 4.683 3.360 ( 3.504 -2.350 -7.250) 8.389 3.382 ( 0.354 0.399 -5.744) 5.769 3.446 ( 1.403 -7.544 3.359) 8.376 3.490 ( -0.995 1.220 -4.554) 4.818 3.534 ( -1.541 -2.361 -6.623) 7.198 3.587 ( -1.132 1.160 0.988) 1.899 3.630 ( 2.276 4.960 4.678) 7.188 3.705 ( -5.459 -3.441 -1.912) 6.730 3.767 ( -5.031 2.768 1.361) 5.901 3.790 ( 4.171 1.076 -0.160) 4.310 3.838 ( 2.696 -3.535 -2.143) 4.935 3.920 ( 0.206 -5.928 9.039) 10.812 3.979 ( -8.341 -8.990 -2.588) 12.533 4.068 ( -1.100 2.532 -2.080) 3.457 4.127 ( -2.430 -2.564 -3.096) 4.698 4.206 ( 2.397 2.289 2.070) 3.908 4.222 ( -0.910 0.406 1.919) 2.162 4.254 ( 4.201 -1.152 -4.116) 5.994 4.279 ( 0.318 -3.076 -4.632) 5.569 4.388 ( 2.441 0.840 -0.089) 2.583 4.426 ( 2.903 -1.981 -1.188) 3.710 4.506 ( 3.063 1.592 -1.938) 3.959 4.549 ( 7.044 -1.004 2.424) 7.517 4.580 ( -4.711 1.177 -2.450) 5.439 4.633 ( -5.300 -2.796 5.226) 7.951 4.658 ( 0.565 2.564 3.240) 4.171 4.710 ( -2.073 -0.839 3.299) 3.985 4.744 ( -2.051 0.819 3.926) 4.505 4.749 ( -1.827 1.681 5.526) 6.058 4.822 ( -0.079 0.705 -0.257) 0.755 4.848 ( 1.134 -1.401 0.268) 1.822 4.923 ( -2.258 6.124 2.688) 7.059 5.012 ( -4.296 3.216 1.683) 5.624 5.041 ( -1.620 -3.725 -3.208) 5.176 5.114 ( -1.492 -4.402 1.765) 4.972 5.235 ( 1.169 4.202 1.683) 4.675 5.239 ( 6.558 4.965 2.124) 8.495 5.301 ( 4.873 0.126 -1.032) 4.982 5.321 ( 1.078 -0.669 -1.524) 1.983 5.357 ( 1.123 1.554 -4.937) 5.296 5.381 ( 4.666 -0.612 1.604) 4.972 5.563 ( -0.580 4.987 3.866) 6.337 5.585 ( 0.787 9.164 -1.826) 9.378 5.603 ( 3.375 2.530 4.850) 6.427 5.694 ( -5.186 -0.315 1.183) 5.328 5.779 ( 3.418 3.212 -4.073) 6.212 5.796 ( 2.161 0.829 -2.504) 3.410 5.826 ( 0.063 -0.494 -5.936) 5.957 5.859 ( -0.678 1.571 -0.499) 1.782 5.874 ( -1.428 2.980 -2.988) 4.455 5.889 ( 3.944 3.026 0.051) 4.971 5.906 ( -2.607 2.297 -4.046) 5.333 5.959 ( -2.953 3.364 3.749) 5.839 6.018 ( 1.544 -5.444 -6.568) 8.670 6.053 ( 1.407 3.971 1.744) 4.560 6.095 ( -0.307 -2.130 0.019) 2.152 6.116 ( 2.583 -2.175 2.038) 3.944 6.188 ( 4.206 -0.392 1.742) 4.569 6.254 ( -3.624 -6.049 -2.276) 7.410 6.309 ( -0.177 3.574 -1.471) 3.869 6.390 ( 0.869 1.650 -2.191) 2.877 6.433 ( -0.385 1.505 1.946) 2.490 6.480 ( 0.386 -1.389 0.113) 1.446 6.503 ( 2.642 -1.521 -0.911) 3.181 6.540 ( -1.968 -3.880 -4.475) 6.241 6.623 ( 4.953 8.776 3.960) 10.828 6.686 ( -1.384 3.029 9.439) 10.010 6.699 ( 2.196 -0.012 3.281) 3.948 6.761 ( 2.588 -1.454 5.189) 5.978 6.829 ( -2.874 5.304 -3.765) 7.111 6.880 ( -2.305 0.846 -2.112) 3.238 6.905 ( -5.352 2.290 -3.462) 6.773 6.973 ( -3.374 0.505 3.354) 4.784 7.016 ( 0.389 -3.635 1.474) 3.942 7.025 ( -1.056 1.495 2.523) 3.117 7.116 ( 4.971 7.422 -2.936) 9.403 7.228 ( 2.334 8.717 -4.014) 9.876 7.259 ( 6.213 -2.875 -3.709) 7.786 7.300 ( -4.370 4.283 -0.844) 6.176 7.363 ( 2.465 -0.030 0.508) 2.517 7.392 ( 3.419 -0.482 -0.189) 3.458 7.477 ( 6.398 -2.310 5.110) 8.508 7.551 ( 1.513 5.421 -0.493) 5.650 7.583 ( -5.274 1.200 0.649) 5.448 7.666 ( -7.378 -4.571 -0.687) 8.706 7.763 ( -7.729 2.030 -1.238) 8.087 7.843 ( -7.200 4.353 5.619) 10.118 7.966 ( 2.447 -3.947 -2.387) 5.222 8.024 ( -3.051 1.022 2.002) 3.790 8.037 ( -0.739 -5.087 -1.269) 5.295 8.117 ( 2.696 2.563 -0.344) 3.736 8.179 ( 0.928 -2.520 5.717) 6.317 8.233 ( 8.824 -2.919 -2.181) 9.547 8.360 ( 2.211 4.203 -1.469) 4.971 8.412 ( -2.019 -1.429 0.239) 2.485 8.557 ( -0.121 8.355 0.684) 8.384 8.618 ( -1.224 5.634 -2.469) 6.271 8.722 ( -0.633 3.316 1.733) 3.795 8.780 ( -4.077 5.273 -0.923) 6.729 8.822 ( -0.496 -7.464 1.563) 7.642 8.892 ( -0.079 -8.448 -2.336) 8.765 8.992 ( -0.266 -13.350 -1.123) 13.399 9.087 ( -0.167 -16.222 -1.852) 16.328 9.207 ( -1.782 1.370 -2.236) 3.171 9.245 ( -1.161 -4.309 -3.085) 5.426 9.408 ( 4.232 1.101 4.316) 6.144 9.423 ( 2.279 -0.251 0.069) 2.294 9.508 ( -0.159 -0.457 0.202) 0.524 9.533 ( 1.480 -2.494 1.172) 3.128 9.701 ( 1.054 0.199 1.263) 1.657 9.730 ( 3.276 -1.715 3.906) 5.379 9.765 ( -6.996 2.241 -8.675) 11.367 9.855 ( -2.429 -6.615 1.334) 7.172 9.971 ( 1.975 1.034 1.776) 2.851 10.006 ( 0.054 -2.732 -0.657) 2.810 10.275 ( 3.115 2.400 -0.228) 3.938 10.331 ( 4.020 -1.767 -1.620) 4.680 10.483 ( -0.302 0.661 -1.589) 1.747 10.568 ( 2.226 -5.854 -1.477) 6.435 10.931 ( -0.415 5.100 -0.162) 5.119 10.982 ( 0.222 2.857 -4.325) 5.188 10.988 ( 1.687 -0.185 2.180) 2.763 11.031 ( -0.307 -2.161 -1.915) 2.904 11.077 ( -4.473 1.678 -2.828) 5.552 11.126 ( -4.103 -3.014 -1.551) 5.322 11.269 ( 2.582 2.493 0.039) 3.589 11.322 ( -2.201 -1.057 3.591) 4.342 11.491 ( -5.473 4.093 6.857) 9.681 11.641 ( -1.187 -10.567 -0.717) 10.657 11.732 ( 0.932 7.377 9.959) 12.429 11.866 ( 2.801 -5.526 4.590) 7.710 11.964 ( 0.925 6.228 -2.138) 6.649 12.050 ( -3.845 3.845 -1.178) 5.564 12.118 ( 7.496 -1.285 -0.778) 7.645 12.246 ( -0.864 -7.674 -7.081) 10.478 14.800 ( 0.670 3.371 -1.063) 3.598 14.811 ( 0.401 2.302 -0.394) 2.370 14.832 ( 4.802 5.217 -0.514) 7.109 14.904 ( 5.520 -1.314 1.256) 5.812 15.016 ( 0.228 1.578 -0.620) 1.711 15.032 ( 0.866 1.372 -2.146) 2.690 15.095 ( -4.833 2.027 -0.390) 5.255 15.160 ( 1.606 -3.343 2.998) 4.769 15.330 ( -7.016 3.401 1.550) 7.950 15.389 ( -8.085 -0.686 0.854) 8.159 15.426 ( -4.007 0.084 -0.142) 4.011 15.447 ( -5.415 -2.676 -0.549) 6.066 15.560 ( 2.241 3.397 -1.489) 4.333 15.611 ( 1.586 -0.822 -4.667) 4.997 15.634 ( 0.917 3.834 -1.462) 4.204 15.694 ( 0.829 -0.531 -0.907) 1.339 15.823 ( 2.892 0.744 3.006) 4.237 15.838 ( 2.474 -0.236 2.330) 3.407 16.035 ( -1.427 1.174 0.159) 1.855 16.082 ( -2.871 -2.985 2.910) 5.062 16.161 ( -2.201 -0.602 1.871) 2.951 16.174 ( 1.617 -1.408 -0.613) 2.230 16.317 ( 3.737 1.952 -1.420) 4.448 16.375 ( 2.523 -3.397 -0.858) 4.317 19.063 ( -1.015 37.446 -2.273) 37.529 19.223 ( 8.696 31.632 1.921) 32.862 19.282 ( -2.833 32.376 8.435) 33.576 19.482 ( -5.486 25.161 -9.827) 27.564 19.788 ( -0.486 -30.509 0.523) 30.517 19.836 ( 1.480 -29.561 0.275) 29.599 19.929 ( -1.077 -28.648 2.251) 28.756 19.977 ( -1.639 -24.022 -1.988) 24.160 25.465 ( -2.514 1.517 -0.662) 3.010 25.474 ( -1.694 0.660 1.104) 2.127 25.611 ( 2.115 1.769 -0.359) 2.781 25.631 ( 1.540 -0.110 -0.726) 1.707 25.994 ( -1.981 4.188 1.513) 4.874 26.033 ( -0.422 0.608 2.358) 2.472 26.088 ( 1.249 4.592 -1.147) 4.895 26.156 ( 0.048 -1.562 -3.446) 3.784 26.331 ( -0.947 0.674 0.614) 1.314 26.350 ( -1.181 -0.822 -0.026) 1.439 26.526 ( 2.626 -0.402 -0.219) 2.666 26.542 ( 3.010 -1.986 0.388) 3.627 26.605 ( -0.619 1.935 0.600) 2.118 26.658 ( 1.321 -2.586 1.435) 3.239 26.763 ( 1.012 0.255 -1.145) 1.550 26.819 ( 2.402 -4.435 -1.826) 5.364 26.921 ( 0.372 0.593 1.610) 1.755 26.929 ( -0.324 -0.122 1.575) 1.613 27.024 ( -0.905 0.917 0.046) 1.289 27.068 ( -0.185 -3.248 -2.093) 3.868 27.259 ( 0.339 -0.701 -0.685) 1.038 27.270 ( 1.723 -1.760 0.819) 2.596 27.345 ( -0.844 -0.405 0.601) 1.112 27.395 ( 0.876 -4.834 -0.119) 4.914 29.378 ( -3.675 4.076 -0.918) 5.564 29.432 ( -5.335 -1.591 -1.042) 5.664 29.552 ( 6.158 5.158 1.901) 8.255 29.650 ( 6.776 -5.191 2.998) 9.047 29.800 ( -3.753 2.881 -1.286) 4.902 29.819 ( -1.578 1.361 -0.852) 2.251 29.964 ( -2.147 -1.771 0.268) 2.796 30.004 ( -0.746 -5.050 -0.947) 5.192 ======================= Grid point 63 (34/50) ======================= q-point: (-0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 2.851 6.567 7.980) 10.721 2.098 ( -2.133 5.103 6.836) 8.793 2.188 ( 4.811 1.985 9.199) 10.569 2.213 ( -0.984 -1.838 3.213) 3.830 2.336 ( 7.696 0.045 4.034) 8.689 2.429 ( 2.461 -5.877 6.691) 9.239 2.570 ( -5.154 4.425 3.115) 7.473 2.690 ( -4.056 -3.088 1.467) 5.304 2.701 ( -0.760 1.206 -1.030) 1.758 2.802 ( -3.632 -7.125 -3.362) 8.675 2.958 ( -3.080 5.206 -1.844) 6.324 2.967 ( -2.596 10.278 -3.756) 11.246 3.039 ( 0.015 -1.036 0.546) 1.171 3.086 ( -1.226 1.620 -4.618) 5.045 3.155 ( 1.323 0.369 3.840) 4.079 3.234 ( 11.303 -1.872 -1.934) 11.619 3.256 ( 1.946 3.559 -5.130) 6.540 3.278 ( 1.262 -2.581 0.788) 2.979 3.369 ( 0.623 -3.428 -5.085) 6.164 3.421 ( 3.994 -2.619 -4.649) 6.665 3.474 ( 0.470 1.125 -2.879) 3.126 3.569 ( 1.930 0.264 -2.116) 2.876 3.602 ( 1.475 -2.850 1.886) 3.722 3.637 ( -4.265 1.474 6.405) 7.835 3.681 ( 3.184 -4.441 0.493) 5.486 3.728 ( -0.838 0.467 3.784) 3.904 3.771 ( -4.187 -4.429 -3.164) 6.867 3.838 ( -2.007 -8.921 -1.114) 9.212 3.842 ( 0.076 5.619 0.762) 5.671 4.011 ( -0.524 -5.111 -1.933) 5.489 4.078 ( 2.907 0.090 5.778) 6.468 4.106 ( 1.030 -1.813 3.201) 3.820 4.200 ( 1.281 2.514 -2.094) 3.514 4.252 ( 2.757 0.040 -5.772) 6.397 4.266 ( 1.181 -0.912 -2.948) 3.304 4.291 ( 2.176 -3.622 1.120) 4.372 4.412 ( -3.968 0.519 -0.562) 4.041 4.420 ( -0.012 -0.786 1.235) 1.464 4.481 ( 1.358 1.931 -3.935) 4.589 4.500 ( 0.166 0.225 -3.631) 3.642 4.575 ( -4.944 -0.172 -3.133) 5.855 4.595 ( -4.245 -2.590 -0.963) 5.065 4.706 ( -0.608 2.215 0.592) 2.372 4.718 ( 0.047 0.948 -1.411) 1.701 4.758 ( -1.007 1.201 5.586) 5.802 4.790 ( -0.246 -1.460 7.103) 7.255 4.854 ( 2.122 1.124 5.513) 6.013 4.878 ( 0.760 -1.399 4.895) 5.148 4.924 ( -2.015 3.810 3.802) 5.747 4.984 ( -1.452 -1.064 3.147) 3.625 5.049 ( 1.460 5.242 6.937) 8.817 5.146 ( -0.967 -1.104 4.698) 4.922 5.202 ( -1.861 3.906 -2.466) 4.980 5.251 ( -4.336 -1.066 -3.122) 5.449 5.293 ( 0.660 1.158 -3.293) 3.552 5.344 ( 1.446 -0.195 -3.874) 4.139 5.424 ( -0.070 6.510 -2.090) 6.838 5.452 ( -5.075 6.820 -3.361) 9.141 5.476 ( 1.779 1.845 0.058) 2.564 5.563 ( -4.579 -0.350 -0.787) 4.659 5.580 ( 0.600 3.265 -5.562) 6.478 5.627 ( 3.779 -0.714 1.210) 4.031 5.703 ( 0.556 -6.084 -9.971) 11.694 5.731 ( -1.642 -1.840 -7.460) 7.857 5.779 ( -3.051 2.415 -0.698) 3.953 5.826 ( -2.393 -0.642 -2.759) 3.708 5.848 ( -0.147 4.874 -4.353) 6.537 5.890 ( 0.419 0.538 -3.114) 3.188 5.938 ( 2.361 3.602 4.707) 6.381 5.996 ( 2.851 -1.485 -0.484) 3.251 6.034 ( 1.547 2.991 0.715) 3.443 6.084 ( -2.743 2.064 -0.290) 3.445 6.121 ( 1.709 4.910 5.437) 7.523 6.176 ( 1.923 -1.132 -2.094) 3.060 6.206 ( 0.492 -1.789 0.863) 2.047 6.258 ( 0.629 -2.867 2.229) 3.685 6.294 ( 0.165 3.231 -3.965) 5.117 6.376 ( 3.604 -3.274 -3.424) 5.953 6.384 ( -2.663 -0.315 -2.135) 3.428 6.398 ( -1.297 -1.251 -1.188) 2.158 6.532 ( -0.866 -0.336 -0.747) 1.191 6.559 ( 3.383 -1.142 0.441) 3.598 6.623 ( -5.573 5.926 1.547) 8.280 6.692 ( -3.423 4.939 -3.442) 6.925 6.740 ( -1.697 1.483 3.414) 4.091 6.800 ( 1.423 1.947 3.762) 4.469 6.831 ( -2.542 6.888 2.540) 7.769 6.866 ( -1.547 3.494 0.583) 3.866 6.922 ( -4.630 3.519 0.103) 5.816 6.951 ( 8.462 1.817 3.362) 9.285 7.012 ( 3.276 -5.418 2.516) 6.814 7.064 ( -0.440 -6.714 4.929) 8.341 7.102 ( -4.994 7.273 -1.929) 9.031 7.230 ( 3.616 9.334 -4.194) 10.853 7.267 ( -0.333 -1.517 -0.265) 1.575 7.310 ( 1.314 -4.280 -3.641) 5.771 7.367 ( -2.771 3.575 -0.147) 4.526 7.388 ( 2.208 1.639 -0.923) 2.900 7.552 ( 0.751 1.338 -1.647) 2.251 7.601 ( 3.810 -1.251 0.594) 4.054 7.624 ( -4.675 5.892 5.774) 9.482 7.670 ( 4.209 -1.943 2.609) 5.320 7.725 ( 10.143 -0.616 5.392) 11.503 7.800 ( -4.482 4.203 5.809) 8.456 7.911 ( -4.223 0.709 1.763) 4.631 7.963 ( -2.248 -3.010 -3.758) 5.314 8.071 ( -0.320 0.048 0.180) 0.370 8.115 ( -0.441 -1.014 1.467) 1.837 8.224 ( -1.260 0.358 -3.158) 3.419 8.282 ( 1.425 -6.754 -2.935) 7.501 8.330 ( -4.359 0.094 -0.312) 4.371 8.342 ( -1.570 -3.900 -4.173) 5.923 8.560 ( 1.520 11.534 -0.696) 11.654 8.580 ( 0.308 8.541 -1.892) 8.753 8.733 ( -1.176 6.938 2.415) 7.440 8.781 ( 3.387 1.231 2.852) 4.596 8.828 ( 0.087 -9.239 1.425) 9.349 8.910 ( 2.278 -9.040 0.305) 9.327 8.985 ( -0.508 -12.935 -0.208) 12.947 9.098 ( 2.313 -15.134 -1.292) 15.364 9.179 ( 1.638 3.110 -0.932) 3.636 9.243 ( 3.638 -4.479 -2.006) 6.109 9.391 ( -4.736 -1.223 -1.305) 5.062 9.428 ( -1.680 -5.173 -2.709) 6.076 9.492 ( -3.942 3.432 -0.976) 5.318 9.551 ( -3.536 -0.757 -6.268) 7.236 9.605 ( 3.322 1.862 4.687) 6.039 9.695 ( 0.138 -4.174 1.313) 4.378 9.855 ( 3.763 2.043 3.387) 5.460 9.931 ( 0.216 -3.492 -0.328) 3.514 10.019 ( 1.347 1.493 3.963) 4.444 10.058 ( 4.566 -2.315 8.572) 9.984 10.315 ( -0.376 -0.118 -2.180) 2.216 10.361 ( 0.290 -3.636 -1.518) 3.951 10.417 ( -0.887 3.400 -5.641) 6.646 10.514 ( -2.414 -6.276 -6.566) 9.398 10.866 ( -1.491 2.947 -3.429) 4.761 10.911 ( -0.391 -0.157 -2.853) 2.884 11.027 ( 2.113 2.045 -2.193) 3.668 11.050 ( 0.365 0.297 -2.505) 2.549 11.106 ( 4.382 -0.419 3.813) 5.824 11.127 ( 3.787 -1.848 6.324) 7.599 11.276 ( -0.876 3.791 -3.883) 5.497 11.316 ( -1.820 0.310 3.234) 3.724 11.479 ( -5.029 2.611 9.087) 10.709 11.619 ( -0.109 -9.845 1.133) 9.911 11.785 ( -5.673 7.190 7.146) 11.616 11.890 ( -1.754 -0.293 -2.272) 2.885 11.920 ( -1.844 3.218 -5.017) 6.239 11.982 ( -2.230 -3.228 -0.284) 3.933 12.199 ( 0.884 -0.001 -1.598) 1.826 12.247 ( 7.566 -4.646 -1.705) 9.041 14.753 ( -1.125 2.563 -2.896) 4.027 14.767 ( -2.468 1.612 -3.138) 4.305 14.921 ( 4.877 5.411 -2.255) 7.626 14.962 ( -4.014 3.894 -3.244) 6.465 15.004 ( -0.820 -2.007 1.380) 2.570 15.030 ( 0.189 -1.257 0.105) 1.275 15.145 ( 5.246 5.374 7.050) 10.301 15.214 ( 2.771 -1.042 5.277) 6.051 15.273 ( -2.433 2.021 2.567) 4.073 15.325 ( -0.580 -2.738 3.952) 4.843 15.374 ( 0.196 1.366 -0.200) 1.394 15.425 ( 2.889 -3.033 -0.440) 4.211 15.546 ( -1.740 2.214 -1.628) 3.252 15.590 ( 2.097 -1.732 -4.277) 5.069 15.658 ( 1.798 3.047 -1.424) 3.814 15.702 ( 1.662 -0.740 -1.129) 2.141 15.868 ( -1.162 3.839 3.120) 5.081 15.921 ( 1.024 -0.617 5.961) 6.080 15.991 ( -2.397 0.566 -1.594) 2.934 16.036 ( -2.914 -3.198 -0.184) 4.331 16.149 ( -0.762 0.909 0.801) 1.431 16.192 ( 0.331 -2.331 0.163) 2.360 16.332 ( 0.317 0.855 -2.935) 3.073 16.369 ( -1.189 -2.687 -2.628) 3.943 19.053 ( 1.711 37.666 -0.664) 37.710 19.217 ( -5.953 31.914 -6.895) 33.188 19.293 ( -4.931 32.084 7.291) 33.269 19.490 ( 11.226 25.219 0.167) 27.605 19.777 ( -0.921 -30.344 -0.055) 30.358 19.823 ( -1.294 -28.884 -1.766) 28.967 19.940 ( -0.783 -29.099 2.617) 29.227 19.987 ( 2.739 -24.593 0.975) 24.764 25.442 ( 0.106 2.338 0.479) 2.389 25.471 ( 0.356 -0.385 0.752) 0.917 25.668 ( 3.144 2.373 2.935) 4.912 25.694 ( 2.869 -0.146 4.446) 5.293 25.906 ( -4.326 4.380 -4.778) 7.793 25.959 ( -5.524 -0.458 -5.298) 7.668 26.106 ( 1.021 4.326 0.130) 4.447 26.158 ( 2.178 -0.729 -1.760) 2.893 26.330 ( 0.132 0.062 0.847) 0.859 26.339 ( -0.307 -0.845 0.375) 0.974 26.558 ( -0.082 -0.788 0.283) 0.841 26.575 ( 0.419 -2.535 0.083) 2.571 26.602 ( -0.432 2.161 0.593) 2.282 26.659 ( -1.861 -2.768 0.207) 3.342 26.737 ( -1.010 1.458 -3.444) 3.874 26.795 ( -0.752 -3.384 -4.022) 5.310 26.948 ( -0.908 0.110 1.483) 1.743 26.954 ( 0.071 -0.389 0.946) 1.025 27.004 ( 0.456 1.217 0.690) 1.471 27.061 ( 1.196 -3.926 -0.816) 4.185 27.271 ( 0.869 0.452 0.624) 1.161 27.311 ( 0.333 -3.493 1.546) 3.834 27.332 ( -0.405 0.735 -0.026) 0.840 27.397 ( -0.514 -5.185 -0.814) 5.273 29.334 ( 0.197 3.088 -0.975) 3.245 29.361 ( -0.526 0.263 -1.879) 1.969 29.615 ( -2.010 3.314 0.444) 3.901 29.665 ( -3.340 -1.472 -1.831) 4.083 29.800 ( 2.097 2.701 3.336) 4.777 29.870 ( 5.128 -4.489 3.229) 7.542 29.932 ( -1.213 1.794 0.210) 2.175 30.002 ( 0.902 -5.191 -0.247) 5.275 ======================= Grid point 64 (35/50) ======================= q-point: (-0.25 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 1.108 8.890 5.885) 10.719 2.191 ( -1.359 5.915 -1.075) 6.163 2.253 ( 4.778 0.575 4.181) 6.375 2.281 ( 4.221 -1.495 6.770) 8.117 2.355 ( -8.339 1.281 -6.711) 10.780 2.500 ( -10.971 -8.673 -3.023) 14.308 2.589 ( 0.443 5.728 5.854) 8.202 2.643 ( 7.353 2.841 3.432) 8.598 2.748 ( 1.577 -1.420 -3.175) 3.819 2.778 ( -1.838 -0.924 3.320) 3.906 2.836 ( -0.537 8.819 7.159) 11.372 2.927 ( 0.767 4.588 -0.127) 4.654 2.981 ( -0.300 -1.343 -1.461) 2.007 3.075 ( 3.066 -1.566 -6.787) 7.610 3.150 ( -1.807 -4.494 0.247) 4.850 3.252 ( 1.434 0.188 -2.007) 2.474 3.278 ( 4.820 -6.337 -8.304) 11.504 3.359 ( -2.603 -0.404 -1.849) 3.218 3.426 ( 6.884 0.111 -2.494) 7.323 3.455 ( 2.247 -1.516 0.444) 2.747 3.496 ( 1.620 -5.476 -2.764) 6.344 3.542 ( 2.959 -5.792 -0.145) 6.506 3.612 ( -0.297 -0.191 -3.024) 3.044 3.641 ( -0.304 1.460 1.202) 1.915 3.670 ( -3.972 -4.916 -2.369) 6.750 3.708 ( -2.834 -4.558 1.409) 5.549 3.815 ( 9.789 6.702 2.740) 12.176 3.876 ( 1.687 5.261 3.506) 6.544 3.964 ( 7.886 -4.371 1.078) 9.080 4.006 ( -0.228 -4.891 0.788) 4.960 4.104 ( -0.145 2.715 -1.354) 3.037 4.157 ( 0.806 -2.939 -0.857) 3.166 4.204 ( 0.569 -0.145 -2.283) 2.357 4.238 ( -0.203 -1.338 -3.632) 3.876 4.266 ( 0.470 1.608 -2.934) 3.379 4.312 ( 1.788 -3.865 -2.142) 4.767 4.368 ( 0.427 0.653 1.348) 1.558 4.379 ( -0.088 -0.471 -1.261) 1.349 4.481 ( -0.039 0.757 2.661) 2.767 4.507 ( 1.078 -1.346 2.359) 2.922 4.533 ( -0.475 1.039 1.590) 1.957 4.564 ( 0.829 -0.452 2.335) 2.519 4.615 ( -6.972 3.501 -3.625) 8.602 4.646 ( -3.705 -0.469 1.446) 4.005 4.773 ( -2.573 1.712 2.910) 4.245 4.791 ( -3.442 0.554 6.269) 7.173 4.885 ( -3.695 2.729 1.570) 4.854 4.928 ( -5.289 -0.778 4.055) 6.710 4.988 ( 2.473 5.435 0.379) 5.983 5.046 ( -1.670 1.150 0.016) 2.027 5.061 ( -2.195 3.213 5.289) 6.566 5.100 ( -0.597 1.265 3.855) 4.101 5.141 ( -2.973 4.734 3.531) 6.612 5.195 ( -4.462 0.306 0.238) 4.479 5.228 ( -2.202 -1.485 -4.457) 5.188 5.286 ( -6.429 -0.531 3.496) 7.337 5.312 ( 1.369 1.182 -6.226) 6.484 5.430 ( 2.641 -5.628 -7.241) 9.543 5.434 ( -3.441 3.642 1.935) 5.371 5.519 ( 1.129 1.365 -4.652) 4.978 5.534 ( 2.445 1.286 -4.665) 5.422 5.686 ( 4.877 4.159 1.787) 6.654 5.701 ( 0.601 0.239 -3.588) 3.646 5.743 ( 4.234 0.258 1.613) 4.538 5.785 ( 1.589 -0.874 -0.589) 1.906 5.808 ( 1.921 -1.269 -0.165) 2.308 5.861 ( 5.938 3.021 2.939) 7.282 5.883 ( 4.214 1.425 1.769) 4.787 5.975 ( -4.015 3.818 -2.248) 5.979 5.990 ( -1.686 3.700 3.490) 5.359 6.057 ( 1.112 -2.305 0.557) 2.619 6.082 ( 3.040 -1.189 0.392) 3.287 6.120 ( -3.955 3.606 -2.166) 5.774 6.161 ( -2.313 3.031 -3.590) 5.237 6.224 ( -2.608 -0.075 -5.144) 5.768 6.246 ( 0.459 -0.614 -1.577) 1.753 6.291 ( -0.917 -4.313 -0.200) 4.414 6.298 ( 1.956 0.158 0.737) 2.096 6.374 ( 1.219 3.420 1.130) 3.803 6.431 ( -0.955 0.089 -2.291) 2.483 6.497 ( -1.083 5.862 -1.713) 6.203 6.565 ( -1.087 2.355 3.358) 4.243 6.580 ( -2.308 -2.200 2.935) 4.333 6.639 ( 0.416 -3.405 -2.284) 4.122 6.685 ( -10.097 -0.508 3.358) 10.653 6.721 ( -9.292 -1.351 3.768) 10.117 6.781 ( -1.608 4.668 4.909) 6.962 6.847 ( 0.999 1.631 1.341) 2.336 6.954 ( 3.364 8.328 -2.107) 9.226 7.008 ( -2.225 7.910 2.817) 8.687 7.094 ( 2.986 -4.086 -2.545) 5.665 7.113 ( 6.836 2.895 -0.514) 7.441 7.154 ( 4.498 -1.830 -0.709) 4.908 7.185 ( -0.778 2.363 -4.353) 5.013 7.225 ( -6.329 -6.529 3.095) 9.605 7.350 ( 3.728 12.051 -5.041) 13.585 7.359 ( 0.875 -5.265 -0.826) 5.401 7.509 ( 7.918 -1.555 0.957) 8.125 7.558 ( 1.765 1.791 0.293) 2.532 7.615 ( -0.350 6.912 3.682) 7.840 7.678 ( -0.529 2.859 1.268) 3.172 7.728 ( 2.027 -1.013 3.581) 4.238 7.753 ( -5.724 3.976 0.042) 6.969 7.786 ( -6.089 1.433 -2.994) 6.935 7.836 ( -1.570 -8.430 -0.793) 8.612 7.923 ( 3.010 -4.835 2.394) 6.179 8.076 ( -4.563 5.898 -1.004) 7.524 8.154 ( 6.977 5.343 -1.004) 8.844 8.167 ( -3.444 -3.233 2.051) 5.150 8.208 ( -4.380 0.343 -3.856) 5.846 8.252 ( -3.502 -2.059 2.615) 4.831 8.336 ( 3.345 -5.011 0.923) 6.095 8.568 ( -0.300 10.214 0.447) 10.228 8.641 ( 5.809 3.400 -1.527) 6.902 8.757 ( -0.706 5.794 3.309) 6.710 8.824 ( -2.908 -7.766 0.341) 8.300 8.875 ( 4.788 0.328 -1.392) 4.997 8.934 ( -1.220 -5.776 0.765) 5.953 8.978 ( 3.216 -17.069 -2.621) 17.566 9.114 ( 3.725 -5.142 -4.315) 7.677 9.232 ( -0.512 0.387 -2.537) 2.617 9.280 ( 3.107 -7.391 0.439) 8.029 9.317 ( -0.989 -1.840 1.420) 2.526 9.370 ( 0.395 -1.594 0.377) 1.685 9.430 ( -2.299 -2.494 -0.520) 3.432 9.465 ( -2.967 -2.938 -0.421) 4.197 9.692 ( 1.311 5.181 3.655) 6.474 9.788 ( 3.655 -3.336 2.179) 5.407 9.839 ( -2.367 -1.025 -2.239) 3.416 9.860 ( -1.760 -1.844 -0.900) 2.703 10.140 ( -3.749 6.065 -0.575) 7.153 10.188 ( 2.083 2.321 1.082) 3.302 10.257 ( -0.358 -2.497 -1.382) 2.876 10.294 ( 1.606 -2.585 -0.217) 3.050 10.393 ( 0.871 -2.238 -0.253) 2.415 10.403 ( -2.116 -4.312 -4.782) 6.778 10.870 ( 3.327 3.241 -1.479) 4.875 10.936 ( 3.942 -2.269 -0.192) 4.552 11.051 ( 3.756 2.946 -2.369) 5.329 11.076 ( 2.036 0.424 -1.140) 2.372 11.154 ( -0.236 0.735 -3.769) 3.847 11.207 ( -2.150 -0.936 3.956) 4.599 11.248 ( 1.367 -1.081 -0.984) 2.002 11.278 ( -0.614 -1.965 -0.903) 2.248 11.505 ( -2.560 7.619 9.436) 12.395 11.652 ( -3.964 1.504 2.903) 5.138 11.719 ( -5.661 -5.275 9.856) 12.530 11.803 ( -5.654 -4.372 -0.316) 7.154 11.854 ( 1.699 5.454 -3.780) 6.850 11.951 ( 0.525 -3.534 -1.650) 3.936 12.196 ( -1.426 5.811 0.124) 5.984 12.345 ( 5.756 -8.026 -4.552) 10.875 14.712 ( -0.723 3.277 -0.769) 3.443 14.738 ( 0.522 0.687 0.734) 1.133 14.862 ( -2.616 3.739 -2.012) 4.987 14.918 ( -5.390 -1.142 0.347) 5.520 14.945 ( 0.506 2.769 -1.156) 3.043 15.013 ( -1.896 -2.895 -0.967) 3.593 15.289 ( 1.688 4.247 0.574) 4.606 15.347 ( 2.465 1.065 0.879) 2.826 15.375 ( 7.429 4.270 1.051) 8.632 15.393 ( 7.253 0.813 1.089) 7.380 15.403 ( 3.111 0.605 2.551) 4.068 15.482 ( 4.568 -2.050 -0.227) 5.012 15.510 ( -1.290 3.181 0.050) 3.433 15.587 ( 0.080 -3.506 -1.842) 3.961 15.653 ( 0.165 2.967 -2.609) 3.954 15.694 ( 0.997 -1.116 -4.653) 4.888 15.817 ( -5.967 4.256 0.796) 7.372 15.905 ( -4.838 -4.265 -0.858) 6.507 16.011 ( 0.808 0.277 4.976) 5.049 16.039 ( 1.807 -1.547 3.241) 4.021 16.143 ( -0.839 1.643 1.434) 2.337 16.204 ( 0.850 -3.048 1.254) 3.403 16.280 ( -3.044 -0.232 -2.993) 4.275 16.299 ( -2.372 -1.976 -1.390) 3.385 19.079 ( -2.089 35.464 -2.676) 35.626 19.104 ( 1.539 37.321 2.362) 37.427 19.254 ( -4.839 35.220 3.290) 35.703 19.643 ( 6.228 8.488 -5.466) 11.862 19.769 ( 0.715 -20.613 1.669) 20.692 19.819 ( 1.132 -32.660 -0.050) 32.680 19.940 ( -1.167 -32.236 0.949) 32.271 20.034 ( 1.639 -18.040 -0.789) 18.131 25.468 ( 1.442 2.290 0.965) 2.873 25.494 ( 1.819 -0.062 -0.836) 2.003 25.749 ( -2.463 3.352 -3.361) 5.348 25.778 ( -2.702 0.634 -4.812) 5.555 25.811 ( 0.189 1.139 2.361) 2.628 25.821 ( 2.768 0.254 7.315) 7.826 26.119 ( 0.637 4.112 -0.809) 4.239 26.173 ( 1.750 -1.211 -1.958) 2.891 26.338 ( 0.034 0.034 0.443) 0.445 26.343 ( 0.034 -0.357 -0.028) 0.360 26.514 ( -3.497 0.363 0.056) 3.517 26.547 ( -2.346 -2.436 -0.185) 3.387 26.625 ( 0.039 1.188 1.802) 2.159 26.635 ( -0.774 0.662 0.597) 1.181 26.696 ( -0.350 -0.283 0.130) 0.469 26.743 ( -0.870 -3.865 -2.182) 4.523 26.915 ( -1.877 1.634 0.505) 2.539 26.948 ( -0.789 -1.431 0.599) 1.740 27.048 ( 1.355 0.133 0.399) 1.418 27.080 ( 1.624 -2.790 -1.146) 3.426 27.272 ( -1.706 0.265 -1.117) 2.057 27.301 ( -0.462 -1.925 1.173) 2.301 27.352 ( 0.119 -2.846 1.884) 3.415 27.361 ( -1.116 -3.716 -1.563) 4.182 29.350 ( 1.780 2.217 0.008) 2.843 29.356 ( 1.878 1.512 -1.433) 2.805 29.565 ( -3.184 3.606 1.583) 5.064 29.639 ( -0.555 -4.132 1.893) 4.579 29.832 ( -1.014 4.661 -0.360) 4.784 29.921 ( 0.754 -1.021 -2.695) 2.979 29.951 ( 1.214 -0.560 2.263) 2.628 30.041 ( 3.162 -6.090 -1.141) 6.956 ======================= Grid point 81 (36/50) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 6.986 0.000 -22.513) 23.572 1.649 ( -6.986 0.000 22.513) 23.572 1.684 ( -7.958 0.000 -30.234) 31.264 1.684 ( 7.958 0.000 30.234) 31.264 1.868 ( 6.015 0.000 -17.114) 18.141 1.868 ( -6.015 0.000 17.114) 18.141 2.086 ( 6.061 0.000 -12.078) 13.514 2.086 ( -6.061 0.000 12.078) 13.514 2.675 ( 0.258 0.000 -24.249) 24.250 2.675 ( -0.258 0.000 24.249) 24.250 2.770 ( -4.931 0.000 -32.015) 32.392 2.770 ( 4.931 0.000 32.015) 32.392 2.890 ( -5.323 0.000 -0.384) 5.337 2.890 ( 5.323 0.000 0.384) 5.337 3.017 ( -12.644 0.000 1.502) 12.733 3.017 ( 12.644 0.000 -1.502) 12.733 3.179 ( 2.509 0.000 -7.277) 7.698 3.179 ( -2.509 0.000 7.277) 7.698 3.416 ( 2.851 0.000 -8.154) 8.638 3.416 ( -2.851 0.000 8.154) 8.638 3.546 ( -1.069 0.000 -8.310) 8.378 3.546 ( 1.069 0.000 8.310) 8.378 3.625 ( 1.562 0.000 -4.991) 5.230 3.625 ( -1.562 0.000 4.991) 5.230 3.748 ( -2.065 0.000 -1.024) 2.305 3.748 ( 2.065 0.000 1.024) 2.305 3.909 ( -7.439 0.000 -1.077) 7.516 3.909 ( 7.439 0.000 1.077) 7.516 3.970 ( -1.273 0.000 -1.119) 1.695 3.970 ( 1.273 0.000 1.119) 1.695 4.026 ( -6.020 0.000 -3.243) 6.838 4.026 ( 6.020 0.000 3.243) 6.838 4.163 ( 0.005 0.000 -0.780) 0.780 4.163 ( -0.005 0.000 0.780) 0.780 4.218 ( -0.389 0.000 -5.864) 5.877 4.218 ( 0.389 0.000 5.864) 5.877 4.295 ( -3.529 0.000 -1.442) 3.813 4.295 ( 3.529 0.000 1.442) 3.813 4.385 ( -3.215 0.000 -3.574) 4.807 4.385 ( 3.215 0.000 3.574) 4.807 4.455 ( -10.042 0.000 1.194) 10.113 4.455 ( 10.042 0.000 -1.194) 10.113 4.582 ( -4.147 0.000 -1.039) 4.275 4.582 ( 4.147 0.000 1.039) 4.275 4.637 ( -2.506 0.000 -0.439) 2.544 4.637 ( 2.506 0.000 0.439) 2.544 4.765 ( 0.072 0.000 -2.468) 2.469 4.765 ( -0.072 0.000 2.468) 2.469 4.859 ( 6.364 0.000 -3.728) 7.375 4.859 ( -6.364 0.000 3.728) 7.375 4.992 ( -6.808 0.000 1.949) 7.082 4.992 ( 6.808 0.000 -1.949) 7.082 5.040 ( -4.174 0.000 -3.270) 5.302 5.040 ( 4.174 0.000 3.270) 5.302 5.077 ( -0.720 0.000 -3.755) 3.824 5.077 ( 0.720 0.000 3.755) 3.824 5.184 ( 1.968 0.000 -0.678) 2.082 5.184 ( -1.968 0.000 0.678) 2.082 5.234 ( -7.044 0.000 1.353) 7.173 5.234 ( 7.044 0.000 -1.353) 7.173 5.424 ( -4.656 0.000 -4.198) 6.269 5.424 ( 4.656 0.000 4.198) 6.269 5.488 ( -4.069 0.000 -8.300) 9.243 5.488 ( 4.069 0.000 8.300) 9.243 5.641 ( -1.082 0.000 0.018) 1.082 5.641 ( 1.082 0.000 -0.018) 1.082 5.716 ( 6.807 0.000 -5.749) 8.910 5.716 ( -6.807 0.000 5.749) 8.910 5.865 ( 5.948 0.000 -3.256) 6.781 5.865 ( -5.948 0.000 3.256) 6.781 6.021 ( 2.021 0.000 -2.337) 3.089 6.021 ( -2.021 0.000 2.337) 3.089 6.074 ( -2.241 0.000 0.117) 2.244 6.074 ( 2.241 0.000 -0.117) 2.244 6.124 ( -4.779 0.000 -6.322) 7.925 6.124 ( 4.779 0.000 6.322) 7.925 6.216 ( 0.634 0.000 -4.485) 4.530 6.216 ( -0.634 0.000 4.485) 4.530 6.265 ( -5.938 0.000 -0.719) 5.981 6.265 ( 5.938 0.000 0.719) 5.981 6.443 ( -0.400 0.000 -7.145) 7.156 6.443 ( 0.400 0.000 7.145) 7.156 6.542 ( -8.500 0.000 1.883) 8.706 6.542 ( 8.500 0.000 -1.883) 8.706 6.594 ( -3.029 0.000 -10.315) 10.750 6.594 ( 3.029 0.000 10.315) 10.750 6.821 ( 9.251 0.000 -3.880) 10.032 6.821 ( -9.251 0.000 3.880) 10.032 6.907 ( 8.983 0.000 -4.386) 9.996 6.907 ( -8.983 0.000 4.386) 9.996 6.928 ( -9.120 0.000 -3.473) 9.759 6.928 ( 9.120 0.000 3.473) 9.759 7.147 ( 1.878 0.000 -3.009) 3.547 7.147 ( -1.878 0.000 3.009) 3.547 7.276 ( -7.528 0.000 0.513) 7.545 7.276 ( 7.528 0.000 -0.513) 7.545 7.338 ( -4.272 0.000 -9.284) 10.220 7.338 ( 4.272 0.000 9.284) 10.220 7.541 ( 6.957 0.000 -3.703) 7.881 7.541 ( -6.957 0.000 3.703) 7.881 7.612 ( -2.794 0.000 0.445) 2.829 7.612 ( 2.794 0.000 -0.445) 2.829 7.669 ( 0.845 0.000 -3.374) 3.478 7.669 ( -0.845 0.000 3.374) 3.478 7.826 ( -1.135 0.000 -7.560) 7.645 7.826 ( 1.135 0.000 7.560) 7.645 7.980 ( 3.778 0.000 -1.879) 4.220 7.980 ( -3.778 0.000 1.879) 4.220 8.279 ( 5.781 0.000 -7.078) 9.139 8.279 ( -5.781 0.000 7.078) 9.139 8.425 ( -2.575 0.000 -14.264) 14.494 8.425 ( 2.575 0.000 14.264) 14.494 8.631 ( 6.941 0.000 -3.280) 7.677 8.631 ( -6.941 0.000 3.280) 7.677 8.753 ( -1.321 0.000 -3.931) 4.147 8.753 ( 1.321 0.000 3.931) 4.147 8.915 ( 9.827 0.000 -6.641) 11.860 8.915 ( -9.827 0.000 6.641) 11.860 9.109 ( -3.820 0.000 -1.073) 3.967 9.109 ( 3.820 0.000 1.073) 3.967 9.274 ( 7.355 0.000 -7.404) 10.436 9.274 ( -7.355 0.000 7.404) 10.436 9.499 ( 6.977 0.000 -5.471) 8.867 9.499 ( -6.977 0.000 5.471) 8.867 9.572 ( 4.948 0.000 -2.815) 5.693 9.572 ( -4.948 0.000 2.815) 5.693 9.922 ( -10.699 0.000 0.000) 10.699 9.922 ( 10.699 0.000 -0.000) 10.699 10.063 ( -6.627 0.000 -6.653) 9.390 10.063 ( 6.627 0.000 6.653) 9.390 10.265 ( -5.505 0.000 -2.486) 6.040 10.265 ( 5.505 0.000 2.486) 6.040 10.614 ( -7.672 0.000 -2.007) 7.930 10.614 ( 7.672 0.000 2.007) 7.930 10.821 ( -13.098 0.000 -1.891) 13.234 10.821 ( 13.098 0.000 1.891) 13.234 10.971 ( -1.165 0.000 0.317) 1.207 10.971 ( 1.165 0.000 -0.317) 1.207 11.031 ( -5.281 0.000 -5.737) 7.798 11.031 ( 5.281 0.000 5.737) 7.798 11.389 ( -1.122 0.000 -0.323) 1.168 11.389 ( 1.122 0.000 0.323) 1.168 11.552 ( -7.227 0.000 -1.643) 7.412 11.552 ( 7.227 0.000 1.643) 7.412 11.732 ( -13.075 0.000 3.128) 13.444 11.732 ( 13.075 0.000 -3.128) 13.444 11.785 ( 4.451 0.000 -5.788) 7.301 11.785 ( -4.451 0.000 5.788) 7.301 12.333 ( -9.951 0.000 1.564) 10.073 12.333 ( 9.951 0.000 -1.564) 10.073 12.574 ( 2.655 0.000 -8.440) 8.848 12.574 ( -2.655 0.000 8.440) 8.848 14.728 ( -0.907 0.000 -1.595) 1.835 14.728 ( 0.907 0.000 1.595) 1.835 14.875 ( -3.730 0.000 -2.922) 4.739 14.875 ( 3.730 0.000 2.922) 4.739 14.906 ( 2.323 0.000 -1.484) 2.757 14.906 ( -2.323 0.000 1.484) 2.757 15.099 ( 1.287 0.000 -0.519) 1.388 15.099 ( -1.287 0.000 0.519) 1.388 15.144 ( -1.484 0.000 -0.232) 1.502 15.144 ( 1.484 0.000 0.232) 1.502 15.319 ( 1.612 0.000 -2.404) 2.895 15.319 ( -1.612 0.000 2.404) 2.895 15.481 ( -3.299 0.000 0.927) 3.427 15.481 ( 3.299 0.000 -0.927) 3.427 15.594 ( -5.168 0.000 -1.305) 5.330 15.594 ( 5.168 0.000 1.305) 5.330 15.833 ( 0.377 0.000 -2.774) 2.800 15.833 ( -0.377 0.000 2.774) 2.800 15.974 ( -4.760 0.000 -0.311) 4.770 15.974 ( 4.760 0.000 0.311) 4.770 16.194 ( -1.152 0.000 -3.417) 3.605 16.194 ( 1.152 0.000 3.417) 3.605 16.321 ( 1.733 0.000 -1.152) 2.081 16.321 ( -1.733 0.000 1.152) 2.081 16.448 ( 1.867 0.000 -0.778) 2.023 16.448 ( -1.867 0.000 0.778) 2.023 16.595 ( -0.887 0.000 -0.284) 0.931 16.595 ( 0.887 0.000 0.284) 0.931 21.372 ( -8.393 0.000 -25.557) 26.900 21.372 ( 8.393 0.000 25.557) 26.900 22.464 ( -24.907 0.000 -16.051) 29.631 22.464 ( 24.907 0.000 16.051) 29.631 25.259 ( -2.360 0.000 -1.876) 3.015 25.259 ( 2.360 0.000 1.876) 3.015 25.445 ( -4.334 0.000 -0.062) 4.335 25.445 ( 4.334 0.000 0.062) 4.335 25.481 ( -6.197 0.000 -0.098) 6.198 25.481 ( 6.197 0.000 0.098) 6.198 25.582 ( -2.933 0.000 -0.146) 2.936 25.582 ( 2.933 0.000 0.146) 2.936 26.368 ( 0.686 0.000 -0.478) 0.836 26.368 ( -0.686 0.000 0.478) 0.836 26.497 ( -2.419 0.000 -1.993) 3.134 26.497 ( 2.419 0.000 1.993) 3.134 26.594 ( 1.415 0.000 -0.601) 1.537 26.594 ( -1.415 0.000 0.601) 1.537 26.776 ( -0.431 0.000 -2.983) 3.014 26.776 ( 0.431 0.000 2.983) 3.014 27.216 ( -0.331 0.000 -1.560) 1.595 27.216 ( 0.331 0.000 1.560) 1.595 27.357 ( -1.295 0.000 -0.685) 1.465 27.357 ( 1.295 0.000 0.685) 1.465 27.535 ( 0.262 0.000 -0.552) 0.611 27.535 ( -0.262 0.000 0.552) 0.611 27.688 ( 0.220 0.000 -3.529) 3.536 27.688 ( -0.220 0.000 3.529) 3.536 28.517 ( -15.562 0.000 -9.530) 18.248 28.517 ( 15.562 0.000 9.530) 18.248 29.091 ( -0.557 0.000 -15.361) 15.371 29.091 ( 0.557 0.000 15.361) 15.371 30.559 ( -8.137 0.000 1.433) 8.262 30.559 ( 8.137 0.000 -1.433) 8.262 30.813 ( 4.977 0.000 -2.438) 5.542 30.813 ( -4.977 0.000 2.438) 5.542 ======================= Grid point 83 (37/50) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 15.851 0.000 -27.790) 31.993 1.555 ( 16.938 0.000 -31.127) 35.437 1.732 ( 6.643 0.000 -14.992) 16.398 1.775 ( -10.472 0.000 4.247) 11.300 1.816 ( -4.214 0.000 15.212) 15.785 2.017 ( -18.553 0.000 8.932) 20.591 2.045 ( -13.399 0.000 19.996) 24.071 2.171 ( 3.300 0.000 5.307) 6.249 2.427 ( 28.377 0.000 -45.701) 53.794 2.682 ( -0.999 0.000 -1.337) 1.669 2.729 ( 11.477 0.000 -0.686) 11.498 2.862 ( -1.425 0.000 12.305) 12.387 2.885 ( -3.770 0.000 10.643) 11.291 2.917 ( -2.818 0.000 3.361) 4.386 3.069 ( -2.943 0.000 7.199) 7.777 3.151 ( 2.468 0.000 -8.673) 9.017 3.260 ( 6.451 0.000 6.220) 8.961 3.335 ( 0.300 0.000 -18.364) 18.366 3.407 ( -8.838 0.000 1.753) 9.010 3.503 ( -5.288 0.000 11.195) 12.381 3.532 ( 5.125 0.000 -2.585) 5.740 3.552 ( 2.555 0.000 8.168) 8.558 3.577 ( -2.091 0.000 -2.214) 3.045 3.654 ( -7.707 0.000 7.371) 10.665 3.680 ( -5.292 0.000 6.230) 8.174 3.715 ( -7.932 0.000 4.134) 8.945 3.773 ( 0.312 0.000 -5.522) 5.531 3.800 ( -5.393 0.000 12.152) 13.295 4.001 ( 1.622 0.000 2.261) 2.782 4.011 ( 5.871 0.000 -2.347) 6.323 4.030 ( -3.001 0.000 -0.805) 3.107 4.094 ( -0.113 0.000 -0.268) 0.290 4.110 ( 2.679 0.000 -5.345) 5.978 4.162 ( 0.726 0.000 4.535) 4.593 4.174 ( 5.952 0.000 6.425) 8.758 4.229 ( -0.897 0.000 -4.501) 4.590 4.249 ( -1.508 0.000 1.276) 1.976 4.274 ( -5.686 0.000 -0.221) 5.690 4.358 ( 0.984 0.000 -0.361) 1.048 4.401 ( -0.361 0.000 5.357) 5.369 4.441 ( -0.522 0.000 -0.731) 0.898 4.488 ( -4.061 0.000 0.721) 4.125 4.565 ( 0.686 0.000 2.297) 2.397 4.566 ( 2.900 0.000 -4.982) 5.765 4.602 ( 0.636 0.000 3.244) 3.305 4.684 ( 0.447 0.000 2.348) 2.390 4.794 ( 3.690 0.000 -3.573) 5.136 4.826 ( -1.787 0.000 4.150) 4.519 4.851 ( 3.143 0.000 -1.589) 3.522 4.891 ( 5.544 0.000 -2.957) 6.283 4.901 ( -2.815 0.000 3.851) 4.770 4.965 ( -1.283 0.000 -7.439) 7.549 5.013 ( -4.803 0.000 -1.809) 5.133 5.075 ( -3.387 0.000 4.897) 5.954 5.075 ( -0.179 0.000 1.153) 1.166 5.158 ( -0.161 0.000 2.246) 2.252 5.160 ( 0.552 0.000 -1.160) 1.285 5.190 ( -1.891 0.000 3.476) 3.957 5.270 ( 6.054 0.000 -0.278) 6.061 5.337 ( -0.912 0.000 -2.456) 2.620 5.379 ( 0.665 0.000 -1.146) 1.325 5.415 ( 3.490 0.000 0.146) 3.493 5.469 ( 5.768 0.000 -5.165) 7.742 5.559 ( -5.750 0.000 1.581) 5.964 5.629 ( -4.285 0.000 5.667) 7.105 5.644 ( 0.876 0.000 -3.053) 3.176 5.682 ( -6.532 0.000 3.874) 7.594 5.727 ( -1.017 0.000 -4.240) 4.360 5.820 ( -10.926 0.000 -8.465) 13.822 5.829 ( 1.823 0.000 -6.486) 6.738 5.894 ( 11.750 0.000 4.434) 12.559 6.011 ( -4.082 0.000 -2.360) 4.715 6.047 ( -2.313 0.000 -5.804) 6.248 6.066 ( 2.772 0.000 1.154) 3.003 6.122 ( 0.645 0.000 -1.343) 1.490 6.176 ( 3.652 0.000 -1.021) 3.792 6.191 ( 1.971 0.000 1.411) 2.424 6.257 ( 0.777 0.000 0.875) 1.170 6.314 ( 3.188 0.000 9.085) 9.628 6.352 ( 2.216 0.000 -4.251) 4.793 6.381 ( -6.457 0.000 1.048) 6.542 6.412 ( 4.344 0.000 -1.590) 4.626 6.537 ( -3.802 0.000 8.308) 9.136 6.596 ( -0.898 0.000 -2.523) 2.678 6.614 ( -0.154 0.000 1.628) 1.635 6.648 ( 4.254 0.000 3.221) 5.336 6.706 ( 2.950 0.000 2.216) 3.689 6.795 ( -4.644 0.000 4.159) 6.234 6.852 ( -3.198 0.000 2.569) 4.102 6.888 ( 0.221 0.000 -2.003) 2.015 6.970 ( -4.093 0.000 -7.256) 8.331 7.042 ( 5.062 0.000 -5.498) 7.473 7.121 ( -5.070 0.000 3.602) 6.220 7.197 ( -1.661 0.000 0.527) 1.742 7.198 ( 0.294 0.000 -2.505) 2.522 7.243 ( 8.196 0.000 -7.095) 10.840 7.353 ( 1.899 0.000 -3.443) 3.932 7.471 ( -0.789 0.000 6.770) 6.816 7.487 ( -2.736 0.000 0.448) 2.773 7.519 ( 1.772 0.000 -6.856) 7.081 7.565 ( 5.470 0.000 1.871) 5.782 7.645 ( -7.053 0.000 0.783) 7.096 7.649 ( -0.363 0.000 -0.026) 0.364 7.815 ( 10.006 0.000 -3.406) 10.570 7.822 ( 4.342 0.000 4.137) 5.997 7.867 ( -0.391 0.000 5.328) 5.343 7.894 ( -3.425 0.000 -0.196) 3.431 7.994 ( -1.373 0.000 -0.050) 1.374 8.273 ( 3.472 0.000 -10.795) 11.340 8.299 ( -2.452 0.000 9.719) 10.024 8.348 ( 7.670 0.000 -5.575) 9.482 8.491 ( -9.410 0.000 5.851) 11.081 8.598 ( -2.882 0.000 11.605) 11.957 8.609 ( -1.145 0.000 -7.991) 8.072 8.757 ( 2.479 0.000 -0.941) 2.651 8.794 ( -3.031 0.000 4.903) 5.764 8.842 ( -5.302 0.000 8.315) 9.862 9.003 ( 4.639 0.000 -7.045) 8.435 9.022 ( -3.175 0.000 -3.880) 5.014 9.087 ( -4.376 0.000 -9.992) 10.908 9.223 ( -4.847 0.000 6.858) 8.397 9.236 ( -1.618 0.000 -9.582) 9.717 9.410 ( 2.456 0.000 1.461) 2.857 9.432 ( 8.728 0.000 -17.299) 19.377 9.642 ( -0.771 0.000 6.810) 6.854 9.723 ( -1.227 0.000 6.758) 6.869 9.780 ( -2.229 0.000 5.379) 5.822 9.903 ( -0.010 0.000 -6.117) 6.117 10.127 ( 5.177 0.000 2.721) 5.849 10.170 ( -0.307 0.000 0.200) 0.367 10.193 ( 0.429 0.000 1.410) 1.474 10.382 ( -0.041 0.000 4.056) 4.056 10.579 ( -4.747 0.000 0.019) 4.747 10.585 ( 2.583 0.000 2.207) 3.397 10.728 ( 1.636 0.000 -5.647) 5.879 10.911 ( -0.225 0.000 -2.459) 2.469 10.960 ( 0.349 0.000 0.271) 0.441 11.033 ( 1.344 0.000 3.479) 3.730 11.059 ( 1.901 0.000 2.688) 3.292 11.274 ( -0.530 0.000 -0.006) 0.530 11.316 ( 3.200 0.000 2.666) 4.166 11.388 ( -3.632 0.000 -0.125) 3.634 11.448 ( 5.690 0.000 -0.814) 5.748 11.523 ( -4.767 0.000 6.658) 8.189 11.577 ( -3.519 0.000 0.089) 3.521 11.756 ( 1.383 0.000 -9.455) 9.556 11.778 ( -2.012 0.000 3.441) 3.986 11.874 ( 7.743 0.000 -9.639) 12.364 12.221 ( -1.449 0.000 -0.542) 1.547 12.464 ( -3.495 0.000 -10.810) 11.361 12.499 ( 10.887 0.000 -4.599) 11.819 12.582 ( -3.399 0.000 6.930) 7.719 14.745 ( 0.033 0.000 1.320) 1.321 14.789 ( -0.073 0.000 2.907) 2.908 14.803 ( -0.921 0.000 2.664) 2.819 14.888 ( -0.308 0.000 1.945) 1.969 14.947 ( 2.339 0.000 -0.284) 2.357 14.966 ( 1.187 0.000 4.617) 4.767 15.060 ( -5.187 0.000 -2.630) 5.816 15.064 ( -1.888 0.000 -0.785) 2.044 15.104 ( 0.072 0.000 -0.635) 0.639 15.139 ( -0.414 0.000 -1.966) 2.009 15.337 ( 2.443 0.000 -2.446) 3.457 15.337 ( -1.167 0.000 4.004) 4.171 15.436 ( -0.092 0.000 1.285) 1.289 15.484 ( -0.419 0.000 -2.455) 2.490 15.512 ( -3.623 0.000 2.911) 4.647 15.652 ( -2.162 0.000 2.806) 3.542 15.848 ( 1.081 0.000 -0.312) 1.125 15.874 ( -1.261 0.000 2.159) 2.500 15.914 ( -0.506 0.000 3.581) 3.617 16.027 ( 0.251 0.000 1.131) 1.159 16.211 ( 3.872 0.000 -4.601) 6.014 16.256 ( -0.147 0.000 0.067) 0.162 16.297 ( 0.661 0.000 -0.045) 0.663 16.314 ( 1.367 0.000 -3.826) 4.063 16.438 ( 0.883 0.000 1.501) 1.742 16.479 ( 2.059 0.000 -0.099) 2.062 16.557 ( -0.799 0.000 -1.378) 1.593 16.577 ( -1.226 0.000 -1.587) 2.005 21.129 ( 9.557 0.000 -20.153) 22.304 21.807 ( -18.456 0.000 4.200) 18.928 21.905 ( 4.796 0.000 18.625) 19.232 22.838 ( -10.024 0.000 18.803) 21.308 25.231 ( 0.091 0.000 0.244) 0.261 25.348 ( 2.867 0.000 4.193) 5.079 25.356 ( -5.371 0.000 -0.085) 5.372 25.386 ( -1.695 0.000 1.903) 2.548 25.508 ( 1.650 0.000 0.151) 1.657 25.524 ( -2.067 0.000 -1.733) 2.697 25.542 ( 1.394 0.000 -0.628) 1.529 25.600 ( -1.437 0.000 -2.818) 3.163 26.374 ( -0.008 0.000 1.106) 1.106 26.385 ( 0.985 0.000 -0.498) 1.104 26.527 ( 5.029 0.000 -0.928) 5.114 26.590 ( 0.720 0.000 1.075) 1.294 26.602 ( 2.947 0.000 -0.945) 3.095 26.695 ( 9.175 0.000 0.420) 9.185 26.729 ( -0.241 0.000 -3.520) 3.528 26.776 ( -2.792 0.000 0.215) 2.800 27.199 ( 1.084 0.000 -1.574) 1.911 27.216 ( -0.857 0.000 -0.364) 0.931 27.355 ( 0.360 0.000 0.215) 0.420 27.449 ( 6.078 0.000 1.569) 6.278 27.486 ( -4.317 0.000 -3.271) 5.417 27.542 ( 1.600 0.000 -1.136) 1.962 27.657 ( 0.117 0.000 -1.593) 1.597 27.698 ( -2.755 0.000 3.371) 4.353 28.177 ( 1.094 0.000 -11.773) 11.824 28.750 ( 2.881 0.000 -7.452) 7.989 28.918 ( -0.048 0.000 -5.761) 5.761 29.161 ( -8.424 0.000 9.943) 13.032 30.495 ( 1.278 0.000 3.813) 4.021 30.659 ( 5.803 0.000 -5.791) 8.198 30.759 ( -3.805 0.000 4.564) 5.942 30.841 ( 0.405 0.000 -2.867) 2.896 ======================= Grid point 84 (38/50) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 15.737 0.000 -11.743) 19.636 1.598 ( -15.737 0.000 11.743) 19.636 1.678 ( 14.479 0.000 -17.274) 22.539 1.678 ( -14.479 0.000 17.274) 22.539 1.814 ( 13.232 0.000 -8.502) 15.728 1.814 ( -13.232 0.000 8.502) 15.728 2.030 ( -9.494 0.000 -8.011) 12.422 2.030 ( 9.494 0.000 8.011) 12.422 2.731 ( 31.063 0.000 -15.697) 34.804 2.731 ( -31.063 0.000 15.697) 34.804 2.856 ( -0.218 0.000 -8.231) 8.233 2.856 ( 0.218 0.000 8.231) 8.233 2.976 ( -12.593 0.000 1.852) 12.728 2.976 ( 12.593 0.000 -1.852) 12.728 3.043 ( -0.787 0.000 -17.146) 17.164 3.043 ( 0.787 0.000 17.146) 17.164 3.123 ( -0.857 0.000 -10.732) 10.766 3.123 ( 0.857 0.000 10.732) 10.766 3.404 ( -2.029 0.000 -5.134) 5.520 3.404 ( 2.029 0.000 5.134) 5.520 3.514 ( 6.456 0.000 -3.085) 7.155 3.514 ( -6.456 0.000 3.085) 7.155 3.650 ( -3.686 0.000 -4.188) 5.578 3.650 ( 3.686 0.000 4.188) 5.578 3.726 ( -0.880 0.000 -3.969) 4.065 3.726 ( 0.880 0.000 3.969) 4.065 3.776 ( 8.626 0.000 -3.015) 9.138 3.776 ( -8.626 0.000 3.015) 9.138 4.020 ( 1.999 0.000 -6.723) 7.014 4.020 ( -1.999 0.000 6.723) 7.014 4.105 ( 1.350 0.000 -4.978) 5.158 4.105 ( -1.350 0.000 4.978) 5.158 4.155 ( -4.020 0.000 -3.180) 5.125 4.155 ( 4.020 0.000 3.180) 5.125 4.229 ( -1.774 0.000 0.078) 1.776 4.229 ( 1.774 0.000 -0.078) 1.776 4.259 ( -7.168 0.000 -2.077) 7.463 4.259 ( 7.168 0.000 2.077) 7.463 4.386 ( -2.543 0.000 -6.533) 7.010 4.386 ( 2.543 0.000 6.533) 7.010 4.421 ( -0.012 0.000 -0.887) 0.887 4.421 ( 0.012 0.000 0.887) 0.887 4.632 ( -2.966 0.000 -0.760) 3.062 4.632 ( 2.966 0.000 0.760) 3.062 4.692 ( -4.032 0.000 0.819) 4.115 4.692 ( 4.032 0.000 -0.819) 4.115 4.831 ( 2.184 0.000 -5.297) 5.729 4.831 ( -2.184 0.000 5.297) 5.729 4.875 ( 0.386 0.000 -0.712) 0.810 4.875 ( -0.386 0.000 0.712) 0.810 4.947 ( -12.140 0.000 -5.811) 13.459 4.947 ( 12.140 0.000 5.811) 13.459 5.003 ( -3.140 0.000 0.176) 3.145 5.003 ( 3.140 0.000 -0.176) 3.145 5.110 ( -6.062 0.000 -8.205) 10.201 5.110 ( 6.062 0.000 8.205) 10.201 5.145 ( 2.192 0.000 -2.824) 3.575 5.145 ( -2.192 0.000 2.824) 3.575 5.291 ( -4.164 0.000 -5.608) 6.985 5.291 ( 4.164 0.000 5.608) 6.985 5.345 ( -6.447 0.000 -0.167) 6.449 5.345 ( 6.447 0.000 0.167) 6.449 5.533 ( -3.777 0.000 -3.650) 5.252 5.533 ( 3.777 0.000 3.650) 5.252 5.605 ( -0.438 0.000 -6.166) 6.182 5.605 ( 0.438 0.000 6.166) 6.182 5.645 ( 1.239 0.000 -4.983) 5.135 5.645 ( -1.239 0.000 4.983) 5.135 5.832 ( -4.652 0.000 -5.638) 7.310 5.832 ( 4.652 0.000 5.638) 7.310 5.902 ( -1.427 0.000 -3.242) 3.542 5.902 ( 1.427 0.000 3.242) 3.542 6.122 ( 1.189 0.000 -1.216) 1.701 6.122 ( -1.189 0.000 1.216) 1.701 6.163 ( -3.439 0.000 -5.486) 6.475 6.163 ( 3.439 0.000 5.486) 6.475 6.245 ( -2.517 0.000 -0.197) 2.524 6.245 ( 2.517 0.000 0.197) 2.524 6.327 ( 1.671 0.000 -0.841) 1.870 6.327 ( -1.671 0.000 0.841) 1.870 6.445 ( -0.752 0.000 -2.159) 2.286 6.445 ( 0.752 0.000 2.159) 2.286 6.522 ( -0.531 0.000 -4.945) 4.974 6.522 ( 0.531 0.000 4.945) 4.974 6.703 ( -3.421 0.000 -9.475) 10.074 6.703 ( 3.421 0.000 9.475) 10.074 6.804 ( 0.551 0.000 -5.672) 5.699 6.804 ( -0.551 0.000 5.672) 5.699 6.816 ( -1.780 0.000 -3.279) 3.731 6.816 ( 1.780 0.000 3.279) 3.731 7.004 ( -10.093 0.000 -14.142) 17.374 7.004 ( 10.093 0.000 14.142) 17.374 7.078 ( 2.558 0.000 -2.890) 3.859 7.078 ( -2.558 0.000 2.890) 3.859 7.189 ( -2.453 0.000 0.182) 2.460 7.189 ( 2.453 0.000 -0.182) 2.460 7.446 ( -6.698 0.000 -0.344) 6.707 7.446 ( 6.698 0.000 0.344) 6.707 7.503 ( 2.547 0.000 -3.120) 4.028 7.503 ( -2.547 0.000 3.120) 4.028 7.556 ( -5.822 0.000 -0.108) 5.823 7.556 ( 5.822 0.000 0.108) 5.823 7.823 ( 8.019 0.000 -6.966) 10.622 7.823 ( -8.019 0.000 6.966) 10.622 7.859 ( -0.621 0.000 -3.813) 3.863 7.859 ( 0.621 0.000 3.813) 3.863 7.962 ( -2.932 0.000 0.056) 2.933 7.962 ( 2.932 0.000 -0.056) 2.933 8.298 ( 7.329 0.000 -7.351) 10.381 8.298 ( -7.329 0.000 7.351) 10.381 8.476 ( 3.599 0.000 -9.768) 10.410 8.476 ( -3.599 0.000 9.768) 10.410 8.525 ( 10.273 0.000 -5.546) 11.674 8.525 ( -10.273 0.000 5.546) 11.674 8.774 ( 4.007 0.000 -6.111) 7.308 8.774 ( -4.007 0.000 6.111) 7.308 8.899 ( -1.433 0.000 -9.034) 9.147 8.899 ( 1.433 0.000 9.034) 9.147 8.957 ( 1.116 0.000 -0.632) 1.282 8.957 ( -1.116 0.000 0.632) 1.282 9.202 ( 5.569 0.000 -7.666) 9.475 9.202 ( -5.569 0.000 7.666) 9.475 9.466 ( 7.600 0.000 -10.816) 13.219 9.466 ( -7.600 0.000 10.816) 13.219 9.674 ( 1.533 0.000 -4.444) 4.701 9.674 ( -1.533 0.000 4.444) 4.701 9.881 ( 1.911 0.000 -6.944) 7.202 9.881 ( -1.911 0.000 6.944) 7.202 10.145 ( 0.537 0.000 -0.949) 1.091 10.145 ( -0.537 0.000 0.949) 1.091 10.301 ( -6.304 0.000 -0.713) 6.344 10.301 ( 6.304 0.000 0.713) 6.344 10.606 ( -5.189 0.000 -4.549) 6.901 10.606 ( 5.189 0.000 4.549) 6.901 10.776 ( -6.580 0.000 -8.895) 11.064 10.776 ( 6.580 0.000 8.895) 11.064 11.017 ( -11.898 0.000 -3.139) 12.305 11.017 ( 11.898 0.000 3.139) 12.305 11.076 ( -0.941 0.000 -0.154) 0.953 11.076 ( 0.941 0.000 0.154) 0.953 11.480 ( -6.040 0.000 -1.087) 6.137 11.480 ( 6.040 0.000 1.087) 6.137 11.535 ( 1.263 0.000 -3.925) 4.123 11.535 ( -1.263 0.000 3.925) 4.123 11.598 ( -4.431 0.000 -10.380) 11.286 11.598 ( 4.431 0.000 10.380) 11.286 11.841 ( 1.750 0.000 -12.987) 13.104 11.841 ( -1.750 0.000 12.987) 13.104 12.288 ( -4.836 0.000 -6.116) 7.797 12.288 ( 4.836 0.000 6.116) 7.797 12.590 ( 5.328 0.000 -7.286) 9.026 12.590 ( -5.328 0.000 7.286) 9.026 14.753 ( -2.437 0.000 -0.051) 2.438 14.753 ( 2.437 0.000 0.051) 2.438 14.882 ( -1.599 0.000 -4.732) 4.995 14.882 ( 1.599 0.000 4.732) 4.995 14.969 ( -1.810 0.000 0.555) 1.893 14.969 ( 1.810 0.000 -0.555) 1.893 15.025 ( -0.503 0.000 -3.633) 3.668 15.025 ( 0.503 0.000 3.633) 3.668 15.110 ( -0.141 0.000 -1.763) 1.769 15.110 ( 0.141 0.000 1.763) 1.769 15.344 ( 1.776 0.000 -3.599) 4.014 15.344 ( -1.776 0.000 3.599) 4.014 15.456 ( 0.919 0.000 -2.764) 2.913 15.456 ( -0.919 0.000 2.764) 2.913 15.574 ( -6.104 0.000 -1.585) 6.306 15.574 ( 6.104 0.000 1.585) 6.306 15.850 ( 1.361 0.000 -1.319) 1.895 15.850 ( -1.361 0.000 1.319) 1.895 15.997 ( -2.361 0.000 -4.507) 5.088 15.997 ( 2.361 0.000 4.507) 5.088 16.201 ( -2.907 0.000 0.818) 3.020 16.201 ( 2.907 0.000 -0.818) 3.020 16.325 ( 0.129 0.000 -0.888) 0.897 16.325 ( -0.129 0.000 0.888) 0.897 16.491 ( -0.935 0.000 -1.457) 1.732 16.491 ( 0.935 0.000 1.457) 1.732 16.551 ( -0.442 0.000 -0.141) 0.464 16.551 ( 0.442 0.000 0.141) 0.464 21.325 ( -25.654 0.000 7.311) 26.675 21.325 ( 25.654 0.000 -7.311) 26.675 22.487 ( -25.450 0.000 -12.329) 28.279 22.487 ( 25.450 0.000 12.329) 28.279 25.264 ( -2.942 0.000 -0.962) 3.095 25.264 ( 2.942 0.000 0.962) 3.095 25.433 ( -1.950 0.000 -3.561) 4.060 25.433 ( 1.950 0.000 3.561) 4.060 25.486 ( -3.635 0.000 -6.154) 7.148 25.486 ( 3.635 0.000 6.154) 7.148 25.542 ( -0.345 0.000 -1.115) 1.167 25.542 ( 0.345 0.000 1.115) 1.167 26.386 ( 0.027 0.000 -0.995) 0.995 26.386 ( -0.027 0.000 0.995) 0.995 26.584 ( -0.783 0.000 -1.542) 1.730 26.584 ( 0.783 0.000 1.542) 1.730 26.688 ( -6.886 0.000 1.791) 7.115 26.688 ( 6.886 0.000 -1.791) 7.115 26.730 ( -1.904 0.000 -0.743) 2.044 26.730 ( 1.904 0.000 0.743) 2.044 27.203 ( 0.652 0.000 -1.260) 1.419 27.203 ( -0.652 0.000 1.260) 1.419 27.363 ( -1.010 0.000 -1.218) 1.582 27.363 ( 1.010 0.000 1.218) 1.582 27.553 ( -0.510 0.000 -0.726) 0.887 27.553 ( 0.510 0.000 0.726) 0.887 27.669 ( 2.706 0.000 -1.864) 3.286 27.669 ( -2.706 0.000 1.864) 3.286 28.443 ( -17.361 0.000 -12.040) 21.127 28.443 ( 17.361 0.000 12.040) 21.127 29.031 ( -10.052 0.000 1.762) 10.206 29.031 ( 10.052 0.000 -1.762) 10.206 30.627 ( -0.975 0.000 -9.852) 9.900 30.627 ( 0.975 0.000 9.852) 9.900 30.783 ( -1.153 0.000 -4.463) 4.609 30.783 ( 1.153 0.000 4.463) 4.609 ======================= Grid point 87 (39/50) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -3.992 8.772 -25.345) 27.116 1.775 ( 3.992 8.772 25.345) 27.116 1.870 ( 5.617 9.010 -15.136) 18.489 1.870 ( -5.617 9.010 15.136) 18.489 1.957 ( 1.199 12.992 -19.692) 23.622 1.957 ( -1.199 12.992 19.692) 23.622 2.321 ( 3.518 15.842 -11.966) 20.162 2.321 ( -3.518 15.842 11.966) 20.162 2.598 ( -7.368 -1.787 -4.870) 9.011 2.598 ( 7.368 -1.787 4.870) 9.011 2.905 ( 1.052 0.841 -2.034) 2.439 2.905 ( -1.052 0.841 2.034) 2.439 2.929 ( -5.612 7.820 -14.365) 17.292 2.929 ( 5.612 7.820 14.365) 17.292 3.103 ( -3.648 11.074 -9.735) 15.189 3.103 ( 3.648 11.074 9.735) 15.189 3.205 ( 1.797 4.372 -9.759) 10.843 3.205 ( -1.797 4.372 9.759) 10.843 3.418 ( 3.067 -0.032 -4.128) 5.142 3.418 ( -3.067 -0.032 4.128) 5.142 3.565 ( 0.090 0.624 -4.663) 4.705 3.565 ( -0.090 0.624 4.663) 4.705 3.649 ( 1.295 3.015 -2.673) 4.233 3.649 ( -1.295 3.015 2.673) 4.233 3.760 ( -2.345 1.576 -1.650) 3.272 3.760 ( 2.345 1.576 1.650) 3.272 3.899 ( -3.318 -2.784 -0.570) 4.369 3.899 ( 3.318 -2.784 0.570) 4.369 3.972 ( -0.717 -0.668 -3.293) 3.435 3.972 ( 0.717 -0.668 3.293) 3.435 4.045 ( 2.372 2.421 -4.764) 5.847 4.045 ( -2.372 2.421 4.764) 5.847 4.156 ( 1.620 -1.706 -2.539) 3.462 4.156 ( -1.620 -1.706 2.539) 3.462 4.228 ( -1.968 3.118 -0.868) 3.788 4.228 ( 1.968 3.118 0.868) 3.788 4.299 ( 1.882 -0.077 -3.112) 3.638 4.299 ( -1.882 -0.077 3.112) 3.638 4.421 ( -3.296 3.332 0.748) 4.746 4.421 ( 3.296 3.332 -0.748) 4.746 4.545 ( 3.581 8.618 -1.997) 9.543 4.545 ( -3.581 8.618 1.997) 9.543 4.608 ( 4.825 -2.126 -4.574) 6.980 4.608 ( -4.825 -2.126 4.574) 6.980 4.682 ( -1.935 5.332 -5.297) 7.761 4.682 ( 1.935 5.332 5.297) 7.761 4.783 ( -0.652 0.859 -4.991) 5.106 4.783 ( 0.652 0.859 4.991) 5.106 4.841 ( 3.506 1.901 -4.182) 5.779 4.841 ( -3.506 1.901 4.182) 5.779 4.933 ( 0.162 -3.538 -0.803) 3.631 4.933 ( -0.162 -3.538 0.803) 3.631 5.001 ( -6.916 -2.210 0.492) 7.277 5.001 ( 6.916 -2.210 -0.492) 7.277 5.063 ( -0.045 -1.498 -1.568) 2.169 5.063 ( 0.045 -1.498 1.568) 2.169 5.197 ( -2.538 -2.317 -2.359) 4.169 5.197 ( 2.538 -2.317 2.359) 4.169 5.263 ( -4.707 4.263 1.482) 6.521 5.263 ( 4.707 4.263 -1.482) 6.521 5.442 ( -2.952 1.649 -4.997) 6.033 5.442 ( 2.952 1.649 4.997) 6.033 5.532 ( -2.067 4.948 -1.059) 5.466 5.532 ( 2.067 4.948 1.059) 5.466 5.668 ( -0.565 1.143 -2.372) 2.693 5.668 ( 0.565 1.143 2.372) 2.693 5.743 ( 5.910 2.635 -5.309) 8.370 5.743 ( -5.910 2.635 5.309) 8.370 5.841 ( 2.892 -1.227 -1.762) 3.602 5.841 ( -2.892 -1.227 1.762) 3.602 6.007 ( 3.761 0.798 -3.753) 5.372 6.007 ( -3.761 0.798 3.753) 5.372 6.084 ( -0.445 -0.345 -1.688) 1.780 6.084 ( 0.445 -0.345 1.688) 1.780 6.177 ( 0.893 3.407 -4.631) 5.819 6.177 ( -0.893 3.407 4.631) 5.819 6.225 ( -0.328 -0.029 -3.085) 3.102 6.225 ( 0.328 -0.029 3.085) 3.102 6.282 ( -1.965 2.720 -6.743) 7.532 6.282 ( 1.965 2.720 6.743) 7.532 6.459 ( 2.175 2.507 -5.152) 6.129 6.459 ( -2.175 2.507 5.152) 6.129 6.551 ( -3.142 0.927 -1.390) 3.558 6.551 ( 3.142 0.927 1.390) 3.558 6.625 ( -4.350 2.435 -6.956) 8.558 6.625 ( 4.350 2.435 6.956) 8.558 6.801 ( 1.537 -3.198 -0.986) 3.683 6.801 ( -1.537 -3.198 0.986) 3.683 6.876 ( -6.095 -2.295 -1.853) 6.771 6.876 ( 6.095 -2.295 1.853) 6.771 6.980 ( 4.065 3.562 -4.730) 7.182 6.980 ( -4.065 3.562 4.730) 7.182 7.103 ( -3.531 0.429 -5.229) 6.324 7.103 ( 3.531 0.429 5.229) 6.324 7.280 ( -6.942 -1.845 -2.869) 7.735 7.280 ( 6.942 -1.845 2.869) 7.735 7.469 ( -1.992 6.812 -7.279) 10.166 7.469 ( 1.992 6.812 7.279) 10.166 7.529 ( -5.165 -4.192 -1.634) 6.850 7.529 ( 5.165 -4.192 1.634) 6.850 7.595 ( -5.718 0.244 -2.814) 6.378 7.595 ( 5.718 0.244 2.814) 6.378 7.744 ( -3.441 4.404 -4.318) 7.063 7.744 ( 3.441 4.404 4.318) 7.063 7.876 ( 1.162 4.005 -6.759) 7.942 7.876 ( -1.162 4.005 6.759) 7.942 8.071 ( -0.583 6.136 -1.527) 6.350 8.071 ( 0.583 6.136 1.527) 6.350 8.250 ( -3.916 -5.992 -0.257) 7.163 8.250 ( 3.916 -5.992 0.257) 7.163 8.338 ( -0.716 -3.042 -8.207) 8.782 8.338 ( 0.716 -3.042 8.207) 8.782 8.478 ( -3.515 -5.868 -7.821) 10.390 8.478 ( 3.515 -5.868 7.821) 10.390 8.667 ( 2.030 -2.290 -6.119) 6.842 8.667 ( -2.030 -2.290 6.119) 6.842 8.933 ( 6.182 2.424 -6.440) 9.250 8.933 ( -6.182 2.424 6.440) 9.250 9.193 ( 0.912 2.746 -1.477) 3.248 9.193 ( -0.912 2.746 1.477) 3.248 9.347 ( -1.238 6.046 -2.765) 6.763 9.347 ( 1.238 6.046 2.765) 6.763 9.506 ( 3.280 0.894 -14.101) 14.505 9.506 ( -3.280 0.894 14.101) 14.505 9.625 ( -0.394 3.432 -7.610) 8.358 9.625 ( 0.394 3.432 7.610) 8.358 9.857 ( -5.750 -6.399 -1.465) 8.727 9.857 ( 5.750 -6.399 1.465) 8.727 10.066 ( -5.834 0.011 -7.404) 9.426 10.066 ( 5.834 0.011 7.404) 9.426 10.209 ( -5.157 -5.527 -3.561) 8.357 10.209 ( 5.157 -5.527 3.561) 8.357 10.561 ( 4.284 -4.076 -1.704) 6.154 10.561 ( -4.284 -4.076 1.704) 6.154 10.851 ( -2.994 -0.373 -6.208) 6.903 10.851 ( 2.994 -0.373 6.208) 6.903 10.976 ( -3.738 0.675 -9.931) 10.632 10.976 ( 3.738 0.675 9.931) 10.632 11.071 ( -5.751 0.318 -2.595) 6.318 11.071 ( 5.751 0.318 2.595) 6.318 11.213 ( -4.057 -8.621 -3.642) 10.200 11.213 ( 4.057 -8.621 3.642) 10.200 11.446 ( 0.809 -8.538 -2.510) 8.936 11.446 ( -0.809 -8.538 2.510) 8.936 11.617 ( -8.810 -9.339 -1.446) 12.920 11.617 ( 8.810 -9.339 1.446) 12.920 11.835 ( 1.026 1.719 -7.306) 7.575 11.835 ( -1.026 1.719 7.306) 7.575 12.309 ( -6.358 -2.378 -0.619) 6.817 12.309 ( 6.358 -2.378 0.619) 6.817 12.466 ( 2.090 -8.631 -4.436) 9.926 12.466 ( -2.090 -8.631 4.436) 9.926 14.679 ( 1.762 -3.598 -0.822) 4.090 14.679 ( -1.762 -3.598 0.822) 4.090 14.805 ( -2.433 -3.592 0.246) 4.345 14.805 ( 2.433 -3.592 -0.246) 4.345 14.902 ( -2.433 0.399 -2.962) 3.854 14.902 ( 2.433 0.399 2.962) 3.854 15.101 ( -1.998 0.417 -2.385) 3.139 15.101 ( 1.998 0.417 2.385) 3.139 15.171 ( 2.231 1.607 -1.824) 3.299 15.171 ( -2.231 1.607 1.824) 3.299 15.321 ( -1.584 1.385 -2.286) 3.107 15.321 ( 1.584 1.385 2.286) 3.107 15.517 ( 0.723 1.797 -1.490) 2.444 15.517 ( -0.723 1.797 1.490) 2.444 15.610 ( 0.372 1.296 -5.000) 5.179 15.610 ( -0.372 1.296 5.000) 5.179 15.804 ( -2.490 -0.326 -4.119) 4.824 15.804 ( 2.490 -0.326 4.119) 4.824 16.030 ( -3.147 3.829 -0.348) 4.968 16.030 ( 3.147 3.829 0.348) 4.968 16.232 ( 0.057 2.089 -2.432) 3.207 16.232 ( -0.057 2.089 2.432) 3.207 16.338 ( 2.324 -0.341 -2.160) 3.191 16.338 ( -2.324 -0.341 2.160) 3.191 16.768 ( -5.928 29.318 -3.058) 30.067 16.768 ( 5.928 29.318 3.058) 30.067 17.114 ( 0.088 42.890 -18.371) 46.659 17.114 ( -0.088 42.890 18.371) 46.659 21.227 ( -6.034 -13.479 -21.922) 26.433 21.227 ( 6.034 -13.479 21.922) 26.433 22.020 ( -18.671 -36.462 -4.992) 41.268 22.020 ( 18.671 -36.462 4.992) 41.268 25.298 ( -1.993 3.356 -2.451) 4.609 25.298 ( 1.993 3.356 2.451) 4.609 25.430 ( -2.170 1.824 -0.970) 2.996 25.430 ( 2.170 1.824 0.970) 2.996 25.596 ( -2.719 7.073 -2.184) 7.886 25.596 ( 2.719 7.073 2.184) 7.886 25.759 ( -5.546 13.096 -4.353) 14.873 25.759 ( 5.546 13.096 4.353) 14.873 26.367 ( 0.085 -0.250 -0.425) 0.500 26.367 ( -0.085 -0.250 0.425) 0.500 26.499 ( -2.675 0.149 -1.917) 3.294 26.499 ( 2.675 0.149 1.917) 3.294 26.606 ( -0.611 0.987 -0.483) 1.257 26.606 ( 0.611 0.987 0.483) 1.257 26.787 ( -0.227 1.162 -2.719) 2.965 26.787 ( 0.227 1.162 2.719) 2.965 27.156 ( -2.110 -5.118 -2.611) 6.121 27.156 ( 2.110 -5.118 2.611) 6.121 27.299 ( -2.082 -4.764 -3.651) 6.353 27.299 ( 2.082 -4.764 3.651) 6.353 27.499 ( -1.970 -3.277 -4.207) 5.685 27.499 ( 1.970 -3.277 4.207) 5.685 27.671 ( 0.479 -2.259 -3.833) 4.475 27.671 ( -0.479 -2.259 3.833) 4.475 28.718 ( -11.331 16.572 -4.907) 20.666 28.718 ( 11.331 16.572 4.907) 20.666 29.192 ( 0.110 9.200 -12.561) 15.570 29.192 ( -0.110 9.200 12.561) 15.570 30.358 ( -6.424 -16.957 -4.478) 18.678 30.358 ( 6.424 -16.957 4.478) 18.678 30.687 ( 3.177 -11.424 -1.560) 11.960 30.687 ( -3.177 -11.424 1.560) 11.960 ======================= Grid point 89 (40/50) ======================= q-point: ( 0.25 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 11.912 11.050 -24.669) 29.538 1.779 ( 7.987 13.349 -20.273) 25.554 1.849 ( 10.127 9.207 -18.738) 23.205 1.858 ( -1.421 6.556 2.382) 7.118 2.031 ( -5.717 12.616 15.263) 20.611 2.141 ( -4.393 12.589 7.357) 15.229 2.317 ( -14.845 21.237 9.516) 27.603 2.359 ( -2.131 14.125 4.174) 14.882 2.615 ( 9.239 3.122 12.711) 16.021 2.661 ( 14.241 14.944 -21.451) 29.770 2.693 ( -4.446 0.969 -2.135) 5.027 2.859 ( -1.355 1.269 8.633) 8.830 2.909 ( 1.370 -0.407 3.075) 3.391 3.062 ( 1.966 8.126 -4.426) 9.460 3.105 ( 0.499 -0.455 4.024) 4.080 3.140 ( -0.585 -0.516 -2.436) 2.558 3.266 ( 6.061 -0.366 -11.002) 12.566 3.279 ( -2.939 1.510 9.106) 9.687 3.383 ( -5.053 0.009 2.714) 5.736 3.484 ( -4.980 -0.134 5.447) 7.381 3.515 ( -2.100 2.124 -3.178) 4.361 3.605 ( -0.487 2.275 6.683) 7.076 3.618 ( -2.967 3.507 1.367) 4.793 3.659 ( 0.396 1.739 4.396) 4.744 3.729 ( -3.492 2.992 2.848) 5.409 3.787 ( -1.763 2.130 0.988) 2.936 3.855 ( -2.113 3.978 -2.020) 4.936 3.901 ( -10.108 6.938 3.172) 12.664 3.964 ( 3.153 -2.947 -4.912) 6.538 3.980 ( 1.401 -4.277 -0.716) 4.557 4.024 ( 4.641 -3.530 3.131) 6.618 4.059 ( 0.090 -1.267 -4.095) 4.288 4.093 ( 1.570 3.671 -0.129) 3.995 4.171 ( 3.049 -0.178 1.555) 3.428 4.187 ( 1.911 1.478 1.926) 3.090 4.213 ( 1.074 2.175 -2.006) 3.148 4.273 ( -3.801 3.792 1.561) 5.591 4.286 ( -0.574 1.219 0.076) 1.349 4.428 ( -0.399 5.323 4.623) 7.062 4.460 ( -2.731 1.789 2.611) 4.181 4.497 ( -1.200 1.130 3.982) 4.309 4.555 ( -1.583 7.058 -0.366) 7.243 4.599 ( 1.740 4.014 -6.050) 7.466 4.624 ( 2.056 3.441 1.349) 4.230 4.668 ( -0.348 0.458 5.043) 5.076 4.673 ( -2.296 2.154 -1.941) 3.698 4.776 ( -3.243 -0.999 1.130) 3.576 4.805 ( -0.147 2.099 -1.633) 2.663 4.822 ( 0.661 -1.016 0.812) 1.459 4.855 ( -0.019 -1.761 0.291) 1.785 4.919 ( 6.036 3.518 -3.738) 7.923 4.927 ( -0.723 -3.863 -3.070) 4.987 4.998 ( -0.417 -1.824 2.313) 2.975 5.010 ( -3.466 -0.071 0.439) 3.495 5.053 ( 2.189 -3.031 2.072) 4.275 5.151 ( -0.814 2.274 -0.293) 2.433 5.204 ( 0.578 2.984 1.619) 3.444 5.238 ( 4.689 -2.817 1.618) 5.704 5.257 ( 0.186 -0.574 -0.811) 1.011 5.322 ( -0.528 4.057 0.832) 4.175 5.355 ( 5.267 0.488 -0.572) 5.321 5.487 ( -7.271 2.714 0.146) 7.763 5.565 ( 5.521 4.112 -0.457) 6.899 5.594 ( -0.429 2.536 0.902) 2.726 5.623 ( -1.798 -0.551 -1.871) 2.653 5.666 ( -3.251 3.371 1.887) 5.048 5.673 ( -5.336 1.863 -3.069) 6.432 5.773 ( -1.580 6.289 -2.477) 6.941 5.805 ( 3.993 -0.740 -1.169) 4.225 5.892 ( 8.085 0.317 2.845) 8.577 5.957 ( -1.445 6.354 -7.188) 9.702 6.000 ( -2.631 -2.176 0.459) 3.445 6.043 ( -2.830 0.857 0.026) 2.957 6.119 ( 2.482 -0.719 -4.071) 4.822 6.127 ( -1.155 -1.345 3.244) 3.696 6.149 ( -1.231 3.850 -0.354) 4.057 6.191 ( -1.425 2.574 -1.901) 3.503 6.241 ( 1.700 0.062 0.198) 1.713 6.329 ( 3.022 -0.638 6.048) 6.791 6.373 ( -0.824 2.224 0.446) 2.413 6.413 ( 3.001 0.558 1.028) 3.221 6.465 ( -0.660 4.875 -1.604) 5.175 6.510 ( 0.339 -0.368 3.002) 3.044 6.554 ( -3.010 0.598 3.594) 4.726 6.605 ( -2.238 0.160 -0.406) 2.280 6.663 ( -3.126 1.689 -1.454) 3.840 6.731 ( 4.616 0.924 -0.545) 4.739 6.805 ( -1.271 -5.702 -6.257) 8.560 6.850 ( -4.098 0.516 2.880) 5.035 6.902 ( -0.587 3.012 5.136) 5.983 6.934 ( -6.130 -1.482 -4.986) 8.040 6.998 ( 8.117 -4.659 -1.596) 9.495 7.127 ( 7.043 0.522 -0.220) 7.066 7.163 ( -0.129 -0.944 -2.394) 2.577 7.240 ( 0.400 -0.953 -4.301) 4.424 7.288 ( -3.684 4.030 -6.233) 8.286 7.397 ( 1.547 0.593 -3.818) 4.162 7.504 ( 0.879 3.042 4.248) 5.298 7.526 ( 0.454 -0.485 -0.577) 0.880 7.573 ( 4.884 3.624 1.818) 6.348 7.637 ( -3.119 5.225 2.435) 6.554 7.705 ( 6.870 -3.518 -3.075) 8.308 7.715 ( -3.877 2.696 0.649) 4.767 7.774 ( 1.848 6.202 4.180) 7.703 7.878 ( 0.655 1.374 3.680) 3.982 7.899 ( 1.356 0.806 0.975) 1.855 8.018 ( 0.204 8.179 0.412) 8.192 8.050 ( -5.113 6.941 0.531) 8.638 8.181 ( -3.609 -6.707 -2.085) 7.896 8.235 ( -1.635 -4.125 2.040) 4.883 8.316 ( -0.153 -5.286 -5.839) 7.878 8.374 ( 2.345 2.024 0.987) 3.251 8.408 ( -1.248 -16.397 6.570) 17.708 8.577 ( 1.741 -2.613 1.320) 3.406 8.635 ( -2.350 1.742 2.012) 3.550 8.687 ( -2.242 -5.101 0.986) 5.659 8.879 ( -3.702 2.750 5.885) 7.476 8.980 ( 4.187 2.685 -7.159) 8.717 9.154 ( -3.709 6.215 -1.894) 7.481 9.216 ( 1.741 5.354 -0.189) 5.633 9.238 ( -4.305 2.885 -0.985) 5.275 9.345 ( -1.433 3.268 -8.774) 9.472 9.430 ( 0.005 6.258 -3.684) 7.261 9.504 ( 1.084 2.484 -4.956) 5.649 9.651 ( 1.422 -0.116 9.558) 9.664 9.748 ( 2.977 0.427 5.430) 6.207 9.792 ( -2.395 0.004 2.071) 3.166 9.909 ( -2.643 -0.837 -3.482) 4.451 10.004 ( 5.704 -7.635 1.592) 9.662 10.109 ( -2.800 -4.647 0.565) 5.455 10.194 ( 1.567 -4.320 2.168) 5.081 10.364 ( 0.306 -2.572 0.581) 2.655 10.463 ( 3.007 -5.616 -1.819) 6.625 10.612 ( 5.412 2.258 -0.410) 5.878 10.776 ( -3.525 -8.708 -4.998) 10.641 10.837 ( -1.334 -1.684 -2.838) 3.559 10.886 ( -2.217 1.829 -3.734) 4.712 11.013 ( 1.950 -3.051 2.341) 4.312 11.079 ( -1.837 -11.121 -3.102) 11.691 11.202 ( 1.974 2.310 5.781) 6.531 11.251 ( 4.094 -5.475 4.018) 7.929 11.294 ( -6.564 -7.695 0.108) 10.115 11.390 ( 4.109 -4.469 0.054) 6.071 11.414 ( 0.303 -7.409 2.822) 7.934 11.515 ( 1.150 -0.964 -2.047) 2.538 11.650 ( -2.288 -3.257 0.407) 4.001 11.833 ( 3.783 -4.244 -4.179) 7.056 11.901 ( 3.848 1.428 -2.179) 4.647 12.187 ( -1.474 -3.427 -3.364) 5.023 12.402 ( -2.815 -5.248 -7.594) 9.651 12.432 ( 4.643 -5.768 -0.440) 7.417 12.466 ( 0.114 -9.252 1.530) 9.378 14.681 ( -1.623 -4.724 3.143) 5.902 14.732 ( 0.968 -3.512 1.134) 3.816 14.776 ( -0.389 -6.585 3.288) 7.370 14.836 ( 0.858 3.707 2.267) 4.429 14.879 ( 0.616 -3.250 0.236) 3.316 14.989 ( 1.305 -0.019 3.551) 3.783 15.008 ( -4.486 -1.053 -1.205) 4.763 15.083 ( -3.464 1.244 0.224) 3.687 15.138 ( -0.932 0.990 -0.460) 1.436 15.187 ( 0.145 4.625 -3.917) 6.062 15.295 ( 1.637 -0.875 -0.417) 1.902 15.368 ( 0.487 0.796 1.913) 2.128 15.499 ( -1.775 3.950 2.039) 4.786 15.509 ( 0.798 3.990 -1.147) 4.228 15.606 ( 0.997 1.378 -2.061) 2.673 15.657 ( -0.222 0.333 2.012) 2.052 15.750 ( 1.448 -1.189 -1.391) 2.333 15.908 ( 2.537 1.256 3.665) 4.631 15.938 ( -5.722 1.840 2.166) 6.389 16.060 ( 0.244 3.579 -0.124) 3.589 16.211 ( 0.022 4.365 -1.689) 4.681 16.248 ( -0.390 -0.998 0.410) 1.148 16.316 ( 0.353 -0.475 -2.419) 2.490 16.331 ( 0.303 2.330 -4.209) 4.820 16.698 ( 0.776 24.278 -0.064) 24.290 16.900 ( 0.077 31.540 -5.659) 32.044 16.969 ( 6.931 34.994 -4.720) 35.985 17.238 ( -11.243 51.159 22.422) 56.977 21.027 ( 8.241 -9.744 -17.678) 21.803 21.551 ( -14.837 -22.641 5.737) 27.670 21.652 ( 1.803 -22.410 16.192) 27.706 22.246 ( -1.119 -45.807 3.313) 45.941 25.266 ( -0.112 2.984 0.306) 3.001 25.359 ( -3.316 1.584 0.571) 3.718 25.385 ( 2.458 3.252 3.991) 5.705 25.490 ( 1.484 4.417 0.278) 4.668 25.513 ( -1.821 5.870 -1.968) 6.454 25.612 ( -3.187 9.390 -2.059) 10.128 25.663 ( 0.758 8.583 1.650) 8.773 25.834 ( -3.844 13.713 2.808) 14.516 26.370 ( 0.089 -0.378 1.133) 1.197 26.380 ( 1.006 -0.494 -0.566) 1.255 26.526 ( 4.770 -0.065 -0.613) 4.810 26.589 ( -0.044 -0.014 -0.001) 0.046 26.613 ( 3.898 0.596 -0.392) 3.963 26.693 ( 6.963 -0.014 -1.187) 7.064 26.752 ( 0.992 2.018 -1.789) 2.874 26.785 ( -2.746 0.930 0.364) 2.922 27.086 ( -0.926 -7.906 -2.388) 8.310 27.168 ( -0.569 -4.727 -3.648) 5.998 27.273 ( 1.198 -5.012 0.665) 5.196 27.392 ( 2.092 -4.848 0.634) 5.318 27.421 ( 0.532 -4.687 -2.528) 5.352 27.566 ( 1.184 -0.260 1.219) 1.719 27.624 ( -1.156 -3.483 -1.190) 3.858 27.687 ( -1.074 -1.605 1.619) 2.520 28.506 ( -1.785 24.596 -3.146) 24.861 28.879 ( 2.884 11.361 -7.038) 13.672 29.048 ( -1.466 11.433 -3.160) 11.952 29.242 ( -6.651 7.592 6.738) 12.136 30.283 ( 4.867 -17.012 -1.733) 17.779 30.492 ( 5.757 -14.646 -3.219) 16.062 30.640 ( -4.429 -10.941 4.398) 12.596 30.699 ( -0.975 -12.722 -1.196) 12.815 ======================= Grid point 90 (41/50) ======================= q-point: (-0.50 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 6.761 6.704 -4.437) 10.505 1.681 ( -6.761 6.704 4.437) 10.505 1.863 ( 15.364 12.068 -10.625) 22.239 1.863 ( -15.364 12.068 10.625) 22.239 2.032 ( 1.272 15.624 -2.293) 15.843 2.032 ( -1.272 15.624 2.293) 15.843 2.234 ( -4.974 17.601 -5.563) 19.117 2.234 ( 4.974 17.601 5.563) 19.117 2.801 ( 13.104 4.532 -17.212) 22.102 2.801 ( -13.104 4.532 17.212) 22.102 2.862 ( -0.911 -3.159 -13.614) 14.006 2.862 ( 0.911 -3.159 13.614) 14.006 2.936 ( 4.911 8.680 -10.194) 14.261 2.936 ( -4.911 8.680 10.194) 14.261 3.103 ( -1.460 3.168 -6.408) 7.296 3.103 ( 1.460 3.168 6.408) 7.296 3.251 ( 1.693 7.769 -5.767) 9.822 3.251 ( -1.693 7.769 5.767) 9.822 3.385 ( 0.264 -4.694 -6.320) 7.877 3.385 ( -0.264 -4.694 6.320) 7.877 3.506 ( 3.811 5.346 -2.602) 7.062 3.506 ( -3.811 5.346 2.602) 7.062 3.686 ( -0.391 -2.406 -3.262) 4.073 3.686 ( 0.391 -2.406 3.262) 4.073 3.753 ( -2.674 3.558 -0.795) 4.521 3.753 ( 2.674 3.558 0.795) 4.521 3.799 ( -1.244 2.982 -1.039) 3.394 3.799 ( 1.244 2.982 1.039) 3.394 3.983 ( 1.777 -3.836 -1.849) 4.614 3.983 ( -1.777 -3.836 1.849) 4.614 4.078 ( -2.207 -4.510 -1.270) 5.180 4.078 ( 2.207 -4.510 1.270) 5.180 4.185 ( -4.369 4.316 -1.477) 6.316 4.185 ( 4.369 4.316 1.477) 6.316 4.203 ( -2.137 1.519 -1.407) 2.975 4.203 ( 2.137 1.519 1.407) 2.975 4.285 ( -3.777 1.339 -1.261) 4.201 4.285 ( 3.777 1.339 1.261) 4.201 4.453 ( -3.513 4.492 -3.125) 6.502 4.453 ( 3.513 4.492 3.125) 6.502 4.502 ( 0.245 5.793 -4.597) 7.400 4.502 ( -0.245 5.793 4.597) 7.400 4.644 ( -2.992 -3.148 -7.673) 8.817 4.644 ( 2.992 -3.148 7.673) 8.817 4.684 ( -1.862 1.911 -1.879) 3.263 4.684 ( 1.862 1.911 1.879) 3.263 4.754 ( -2.991 -1.878 -1.176) 3.722 4.754 ( 2.991 -1.878 1.176) 3.722 4.861 ( -2.572 -1.255 -4.954) 5.721 4.861 ( 2.572 -1.255 4.954) 5.721 4.951 ( -3.452 0.408 -6.683) 7.532 4.951 ( 3.452 0.408 6.683) 7.532 5.003 ( -1.578 0.580 -6.430) 6.646 5.003 ( 1.578 0.580 6.430) 6.646 5.114 ( -6.500 3.445 -3.949) 8.349 5.114 ( 6.500 3.445 3.949) 8.349 5.183 ( -1.145 1.652 -1.783) 2.687 5.183 ( 1.145 1.652 1.783) 2.687 5.301 ( 1.481 -1.614 -3.051) 3.756 5.301 ( -1.481 -1.614 3.051) 3.756 5.392 ( -2.382 5.798 -3.558) 7.208 5.392 ( 2.382 5.798 3.558) 7.208 5.531 ( -0.844 1.419 -4.182) 4.497 5.531 ( 0.844 1.419 4.182) 4.497 5.654 ( -1.587 4.667 -2.333) 5.453 5.654 ( 1.587 4.667 2.333) 5.453 5.730 ( -4.256 5.634 -3.497) 7.879 5.730 ( 4.256 5.634 3.497) 7.879 5.879 ( -5.465 -1.289 -1.217) 5.745 5.879 ( 5.465 -1.289 1.217) 5.745 5.916 ( -6.744 4.784 -1.704) 8.442 5.916 ( 6.744 4.784 1.704) 8.442 6.097 ( -1.693 -2.670 -4.192) 5.250 6.097 ( 1.693 -2.670 4.192) 5.250 6.152 ( 2.276 1.804 -3.841) 4.815 6.152 ( -2.276 1.804 3.841) 4.815 6.213 ( -1.803 -1.137 -0.423) 2.173 6.213 ( 1.803 -1.137 0.423) 2.173 6.396 ( -2.497 3.627 -2.176) 4.912 6.396 ( 2.497 3.627 2.176) 4.912 6.472 ( -3.282 1.307 -0.273) 3.543 6.472 ( 3.282 1.307 0.273) 3.543 6.515 ( -2.137 -0.474 -2.958) 3.680 6.515 ( 2.137 -0.474 2.958) 3.680 6.588 ( -1.438 -5.215 -9.069) 10.559 6.588 ( 1.438 -5.215 9.069) 10.559 6.789 ( 0.417 -2.166 -6.060) 6.449 6.789 ( -0.417 -2.166 6.060) 6.449 6.831 ( 3.313 0.289 -2.311) 4.050 6.831 ( -3.313 0.289 2.311) 4.050 7.007 ( -4.167 1.788 -10.724) 11.644 7.007 ( 4.167 1.788 10.724) 11.644 7.152 ( -4.056 -0.085 -3.688) 5.482 7.152 ( 4.056 -0.085 3.688) 5.482 7.212 ( -1.406 2.687 -1.568) 3.415 7.212 ( 1.406 2.687 1.568) 3.415 7.470 ( 0.834 -2.203 -7.504) 7.865 7.470 ( -0.834 -2.203 7.504) 7.865 7.522 ( -0.625 3.669 -1.557) 4.035 7.522 ( 0.625 3.669 1.557) 4.035 7.627 ( 3.987 4.989 -2.196) 6.753 7.627 ( -3.987 4.989 2.196) 6.753 7.872 ( 3.247 4.572 -8.833) 10.463 7.872 ( -3.247 4.572 8.833) 10.463 7.917 ( -3.099 -2.060 -1.724) 4.102 7.917 ( 3.099 -2.060 1.724) 4.102 7.991 ( -4.411 7.404 -4.580) 9.760 7.991 ( 4.411 7.404 4.580) 9.760 8.165 ( -1.423 -9.565 -2.684) 10.036 8.165 ( 1.423 -9.565 2.684) 10.036 8.378 ( 8.027 -9.591 -6.419) 14.058 8.378 ( -8.027 -9.591 6.419) 14.058 8.518 ( -3.817 5.460 -10.620) 12.536 8.518 ( 3.817 5.460 10.620) 12.536 8.631 ( -2.771 -4.661 0.038) 5.422 8.631 ( 2.771 -4.661 -0.038) 5.422 8.928 ( 0.273 3.673 -8.530) 9.292 8.928 ( -0.273 3.673 8.530) 9.292 9.126 ( -1.442 8.628 -4.098) 9.660 9.126 ( 1.442 8.628 4.098) 9.660 9.258 ( 1.555 2.846 -7.062) 7.771 9.258 ( -1.555 2.846 7.062) 7.771 9.461 ( 3.930 1.296 -9.527) 10.387 9.461 ( -3.930 1.296 9.527) 10.387 9.759 ( -0.309 2.545 -4.125) 4.856 9.759 ( 0.309 2.545 4.125) 4.856 9.841 ( -0.753 -3.059 -5.742) 6.549 9.841 ( 0.753 -3.059 5.742) 6.549 10.085 ( -2.869 -5.601 -0.337) 6.302 10.085 ( 2.869 -5.601 0.337) 6.302 10.243 ( -3.209 -3.402 -5.172) 6.973 10.243 ( 3.209 -3.402 5.172) 6.973 10.617 ( -7.172 -2.183 -2.168) 7.805 10.617 ( 7.172 -2.183 2.168) 7.805 10.747 ( -3.324 -0.741 -4.714) 5.816 10.747 ( 3.324 -0.741 4.714) 5.816 10.943 ( -6.996 -7.207 -3.327) 10.581 10.943 ( 6.996 -7.207 3.327) 10.581 11.105 ( -5.082 0.344 -3.284) 6.061 11.105 ( 5.082 0.344 3.284) 6.061 11.297 ( -4.420 -12.979 -3.316) 14.106 11.297 ( 4.420 -12.979 3.316) 14.106 11.422 ( -0.970 -4.180 -5.729) 7.158 11.422 ( 0.970 -4.180 5.729) 7.158 11.620 ( -4.309 1.027 -3.376) 5.569 11.620 ( 4.309 1.027 3.376) 5.569 11.881 ( 1.067 -1.342 -10.120) 10.264 11.881 ( -1.067 -1.342 10.120) 10.264 12.245 ( -5.472 -3.539 -5.048) 8.243 12.245 ( 5.472 -3.539 5.048) 8.243 12.476 ( 2.421 -9.357 -6.224) 11.495 12.476 ( -2.421 -9.357 6.224) 11.495 14.698 ( -1.624 -3.171 -1.672) 3.936 14.698 ( 1.624 -3.171 1.672) 3.936 14.846 ( -1.403 -5.140 -2.781) 6.010 14.846 ( 1.403 -5.140 2.781) 6.010 14.915 ( -2.195 0.549 -2.795) 3.596 14.915 ( 2.195 0.549 2.795) 3.596 15.037 ( -0.605 0.160 -3.873) 3.923 15.037 ( 0.605 0.160 3.873) 3.923 15.139 ( -0.173 3.307 -3.097) 4.534 15.139 ( 0.173 3.307 3.097) 4.534 15.350 ( -3.011 -0.156 -0.083) 3.016 15.350 ( 3.011 -0.156 0.083) 3.016 15.509 ( -0.121 4.375 -1.613) 4.664 15.509 ( 0.121 4.375 1.613) 4.664 15.625 ( -3.118 2.233 -0.218) 3.841 15.625 ( 3.118 2.233 0.218) 3.841 15.817 ( -2.595 -1.163 -1.372) 3.157 15.817 ( 2.595 -1.163 1.372) 3.157 16.027 ( -1.949 3.191 -4.636) 5.956 16.027 ( 1.949 3.191 4.636) 5.956 16.214 ( -0.584 1.489 -2.856) 3.273 16.214 ( 0.584 1.489 2.856) 3.273 16.307 ( -1.117 1.747 -1.449) 2.529 16.307 ( 1.117 1.747 1.449) 2.529 16.771 ( -3.742 24.046 -4.372) 24.725 16.771 ( 3.742 24.046 4.372) 24.725 17.146 ( 15.213 45.494 -10.683) 49.146 17.146 ( -15.213 45.494 10.683) 49.146 21.181 ( 19.833 -13.342 -6.957) 24.895 21.181 ( -19.833 -13.342 6.957) 24.895 22.046 ( -13.066 -36.262 -12.618) 40.557 22.046 ( 13.066 -36.262 12.618) 40.557 25.297 ( -2.300 2.366 -1.117) 3.484 25.297 ( 2.300 2.366 1.117) 3.484 25.461 ( -0.968 3.845 -2.900) 4.912 25.461 ( 0.968 3.845 2.900) 4.912 25.542 ( -1.645 6.482 -1.960) 6.969 25.542 ( 1.645 6.482 1.960) 6.969 25.734 ( -1.491 12.188 -5.032) 13.269 25.734 ( 1.491 12.188 5.032) 13.269 26.383 ( 0.137 -0.326 -1.053) 1.111 26.383 ( -0.137 -0.326 1.053) 1.111 26.580 ( -0.594 -0.274 -1.489) 1.627 26.580 ( 0.594 -0.274 1.489) 1.627 26.694 ( -5.042 0.288 0.751) 5.106 26.694 ( 5.042 0.288 -0.751) 5.106 26.741 ( -0.384 1.004 -1.618) 1.942 26.741 ( 0.384 1.004 1.618) 1.942 27.111 ( -1.471 -6.477 -2.837) 7.222 27.111 ( 1.471 -6.477 2.837) 7.222 27.324 ( -2.292 -3.885 -2.718) 5.267 27.324 ( 2.292 -3.885 2.718) 5.267 27.516 ( -3.332 -3.903 -2.259) 5.607 27.516 ( 3.332 -3.903 2.259) 5.607 27.659 ( 0.115 -1.222 -3.040) 3.279 27.659 ( -0.115 -1.222 3.040) 3.279 28.662 ( -10.279 17.704 -10.233) 22.887 28.662 ( 10.279 17.704 10.233) 22.887 29.131 ( -5.978 9.141 -0.598) 10.939 29.131 ( 5.978 9.141 0.598) 10.939 30.443 ( -5.085 -15.854 -7.063) 18.086 30.443 ( 5.085 -15.854 7.063) 18.086 30.648 ( -0.355 -11.814 -4.211) 12.547 30.648 ( 0.355 -11.814 4.211) 12.547 ======================= Grid point 93 (42/50) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -2.543 0.587 -0.105) 2.612 1.887 ( 2.543 0.587 0.105) 2.612 2.069 ( -9.839 13.380 -10.030) 19.402 2.069 ( 9.839 13.380 10.030) 19.402 2.218 ( -0.872 11.244 -18.147) 21.366 2.218 ( 0.872 11.244 18.147) 21.366 2.486 ( -5.064 4.311 -8.339) 10.666 2.486 ( 5.064 4.311 8.339) 10.666 2.636 ( 1.486 -1.984 -10.436) 10.726 2.636 ( -1.486 -1.984 10.436) 10.726 2.898 ( 6.225 0.319 -7.065) 9.422 2.898 ( -6.225 0.319 7.065) 9.422 3.005 ( -8.375 3.109 -3.348) 9.540 3.005 ( 8.375 3.109 3.348) 9.540 3.308 ( -1.466 2.953 -6.732) 7.496 3.308 ( 1.466 2.953 6.732) 7.496 3.389 ( 1.505 4.303 -7.203) 8.524 3.389 ( -1.505 4.303 7.203) 8.524 3.458 ( -0.836 -0.946 -8.482) 8.575 3.458 ( 0.836 -0.946 8.482) 8.575 3.553 ( -3.733 4.126 -0.733) 5.612 3.553 ( 3.733 4.126 0.733) 5.612 3.702 ( -0.681 0.881 -2.393) 2.639 3.702 ( 0.681 0.881 2.393) 2.639 3.778 ( -2.106 0.546 -3.048) 3.745 3.778 ( 2.106 0.546 3.048) 3.745 3.861 ( 4.154 -3.128 -4.783) 7.065 3.861 ( -4.154 -3.128 4.783) 7.065 3.995 ( 0.562 4.780 -2.518) 5.432 3.995 ( -0.562 4.780 2.518) 5.432 4.087 ( 0.619 3.821 -6.896) 7.908 4.087 ( -0.619 3.821 6.896) 7.908 4.130 ( -3.810 2.822 -5.991) 7.640 4.130 ( 3.810 2.822 5.991) 7.640 4.290 ( 0.631 2.274 -4.447) 5.035 4.290 ( -0.631 2.274 4.447) 5.035 4.347 ( -1.784 2.867 -6.016) 6.899 4.347 ( 1.784 2.867 6.016) 6.899 4.490 ( -0.870 -4.849 -1.154) 5.060 4.490 ( 0.870 -4.849 1.154) 5.060 4.537 ( -3.741 4.896 -5.842) 8.491 4.537 ( 3.741 4.896 5.842) 8.491 4.672 ( -5.710 3.386 0.192) 6.641 4.672 ( 5.710 3.386 -0.192) 6.641 4.772 ( -3.074 -1.284 -6.275) 7.105 4.772 ( 3.074 -1.284 6.275) 7.105 4.855 ( 0.875 4.973 -8.713) 10.070 4.855 ( -0.875 4.973 8.713) 10.070 4.897 ( -2.472 5.102 -1.201) 5.795 4.897 ( 2.472 5.102 1.201) 5.795 4.951 ( -2.382 4.832 -0.803) 5.447 4.951 ( 2.382 4.832 0.803) 5.447 5.003 ( 0.488 4.107 -1.895) 4.549 5.003 ( -0.488 4.107 1.895) 4.549 5.070 ( 0.320 0.975 -3.327) 3.482 5.070 ( -0.320 0.975 3.327) 3.482 5.139 ( -3.855 -0.679 -2.630) 4.716 5.139 ( 3.855 -0.679 2.630) 4.716 5.307 ( 3.426 3.459 -4.196) 6.427 5.307 ( -3.426 3.459 4.196) 6.427 5.527 ( -0.087 2.982 -2.788) 4.083 5.527 ( 0.087 2.982 2.788) 4.083 5.615 ( 1.037 6.271 -4.923) 8.039 5.615 ( -1.037 6.271 4.923) 8.039 5.751 ( -3.933 4.477 -1.889) 6.251 5.751 ( 3.933 4.477 1.889) 6.251 5.808 ( -2.250 -1.598 -0.525) 2.809 5.808 ( 2.250 -1.598 0.525) 2.809 5.862 ( 0.884 8.976 -3.193) 9.568 5.862 ( -0.884 8.976 3.193) 9.568 6.010 ( -3.391 0.339 -2.390) 4.162 6.010 ( 3.391 0.339 2.390) 4.162 6.092 ( 3.715 -0.816 -4.704) 6.049 6.092 ( -3.715 -0.816 4.704) 6.049 6.177 ( -0.222 -1.902 -1.510) 2.439 6.177 ( 0.222 -1.902 1.510) 2.439 6.256 ( -3.724 3.450 -5.465) 7.459 6.256 ( 3.724 3.450 5.465) 7.459 6.375 ( 1.085 5.101 -6.457) 8.300 6.375 ( -1.085 5.101 6.457) 8.300 6.501 ( -0.379 0.484 -2.394) 2.471 6.501 ( 0.379 0.484 2.394) 2.471 6.579 ( -6.615 -0.934 -0.592) 6.707 6.579 ( 6.615 -0.934 0.592) 6.707 6.658 ( -4.294 1.294 -1.291) 4.667 6.658 ( 4.294 1.294 1.291) 4.667 6.753 ( 0.976 2.272 -3.039) 3.918 6.753 ( -0.976 2.272 3.039) 3.918 6.871 ( -2.699 2.172 -0.824) 3.561 6.871 ( 2.699 2.172 0.824) 3.561 6.988 ( -5.113 -4.052 -6.277) 9.054 6.988 ( 5.113 -4.052 6.277) 9.054 7.147 ( -0.028 -0.877 -10.510) 10.547 7.147 ( 0.028 -0.877 10.510) 10.547 7.201 ( -6.377 -1.393 -1.253) 6.647 7.201 ( 6.377 -1.393 1.253) 6.647 7.400 ( -1.402 -3.528 -3.340) 5.056 7.400 ( 1.402 -3.528 3.340) 5.056 7.512 ( -1.570 -5.456 -6.141) 8.363 7.512 ( 1.570 -5.456 6.141) 8.363 7.604 ( -1.035 4.669 -1.169) 4.923 7.604 ( 1.035 4.669 1.169) 4.923 7.814 ( -3.389 2.977 -1.997) 4.933 7.814 ( 3.389 2.977 1.997) 4.933 7.948 ( 4.445 -5.559 -3.719) 8.030 7.948 ( -4.445 -5.559 3.719) 8.030 8.027 ( -6.004 1.699 0.319) 6.248 8.027 ( 6.004 1.699 -0.319) 6.248 8.194 ( -2.016 0.467 -1.315) 2.452 8.194 ( 2.016 0.467 1.315) 2.452 8.255 ( -4.720 -2.379 -4.198) 6.750 8.255 ( 4.720 -2.379 4.198) 6.750 8.655 ( -1.342 10.652 -0.925) 10.776 8.655 ( 1.342 10.652 0.925) 10.776 8.734 ( -1.881 7.730 -1.058) 8.026 8.734 ( 1.881 7.730 1.058) 8.026 8.993 ( -0.725 2.652 -3.697) 4.607 8.993 ( 0.725 2.652 3.697) 4.607 9.213 ( 3.349 -1.202 -3.222) 4.800 9.213 ( -3.349 -1.202 3.222) 4.800 9.388 ( -1.449 -1.142 -1.803) 2.580 9.388 ( 1.449 -1.142 1.803) 2.580 9.519 ( 3.493 -1.868 -3.042) 4.995 9.519 ( -3.493 -1.868 3.042) 4.995 9.652 ( -3.562 -4.067 -3.367) 6.369 9.652 ( 3.562 -4.067 3.367) 6.369 9.755 ( -2.890 1.253 -2.781) 4.202 9.755 ( 2.890 1.253 2.781) 4.202 9.966 ( -2.144 -9.376 -2.146) 9.854 9.966 ( 2.144 -9.376 2.146) 9.854 10.128 ( -7.957 -1.568 -1.578) 8.262 10.128 ( 7.957 -1.568 1.578) 8.262 10.416 ( -4.409 -10.285 -3.629) 11.764 10.416 ( 4.409 -10.285 3.629) 11.764 10.739 ( -2.900 -10.670 -4.107) 11.795 10.739 ( 2.900 -10.670 4.107) 11.795 10.937 ( -3.480 -0.405 -3.868) 5.219 10.937 ( 3.480 -0.405 3.868) 5.219 11.004 ( -7.049 -3.228 -7.976) 11.123 11.004 ( 7.049 -3.228 7.976) 11.123 11.234 ( -10.395 2.240 -4.657) 11.609 11.234 ( 10.395 2.240 4.657) 11.609 11.326 ( -3.914 -1.727 -0.317) 4.290 11.326 ( 3.914 -1.727 0.317) 4.290 11.458 ( -0.171 -3.412 -2.061) 3.989 11.458 ( 0.171 -3.412 2.061) 3.989 11.835 ( -1.526 -0.672 -4.803) 5.084 11.835 ( 1.526 -0.672 4.803) 5.084 12.202 ( -2.376 -9.297 -5.067) 10.852 12.202 ( 2.376 -9.297 5.067) 10.852 12.313 ( 4.945 -4.620 -8.865) 11.153 12.313 ( -4.945 -4.620 8.865) 11.153 14.629 ( 0.010 -0.304 -2.939) 2.955 14.629 ( -0.010 -0.304 2.939) 2.955 14.764 ( -4.312 -0.518 -1.392) 4.561 14.764 ( 4.312 -0.518 1.392) 4.561 14.937 ( -2.855 2.627 -2.159) 4.440 14.937 ( 2.855 2.627 2.159) 4.440 15.142 ( 0.420 3.029 -4.189) 5.187 15.142 ( -0.420 3.029 4.189) 5.187 15.227 ( 0.886 4.385 -0.490) 4.500 15.227 ( -0.886 4.385 0.490) 4.500 15.371 ( -1.360 3.443 -1.782) 4.108 15.371 ( 1.360 3.443 1.782) 4.108 15.534 ( 1.377 0.293 -1.048) 1.755 15.534 ( -1.377 0.293 1.048) 1.755 15.627 ( 1.603 0.129 -3.611) 3.953 15.627 ( -1.603 0.129 3.611) 3.953 15.807 ( -3.948 0.081 -3.402) 5.212 15.807 ( 3.948 0.081 3.402) 5.212 16.101 ( -3.451 2.664 0.140) 4.362 16.101 ( 3.451 2.664 -0.140) 4.362 16.236 ( -1.995 -1.372 -0.888) 2.579 16.236 ( 1.995 -1.372 0.888) 2.579 16.358 ( 4.895 0.890 -4.101) 6.448 16.358 ( -4.895 0.890 4.101) 6.448 17.487 ( -8.905 40.022 -2.118) 41.055 17.487 ( 8.905 40.022 2.118) 41.055 18.020 ( -0.608 42.419 -28.245) 50.966 18.020 ( 0.608 42.419 28.245) 50.966 20.871 ( -2.270 -20.519 -13.580) 24.710 20.871 ( 2.270 -20.519 13.580) 24.710 21.231 ( -1.544 -38.217 -0.380) 38.250 21.231 ( 1.544 -38.217 0.380) 38.250 25.379 ( -2.116 4.226 -2.649) 5.418 25.379 ( 2.116 4.226 2.649) 5.418 25.493 ( -1.999 3.615 -2.928) 5.063 25.493 ( 1.999 3.615 2.928) 5.063 25.758 ( -2.487 8.395 -3.236) 9.335 25.758 ( 2.487 8.395 3.236) 9.335 25.981 ( -3.709 8.003 -6.276) 10.826 25.981 ( 3.709 8.003 6.276) 10.826 26.357 ( -0.062 -0.583 -0.530) 0.790 26.357 ( 0.062 -0.583 0.530) 0.790 26.504 ( -3.145 0.390 -1.917) 3.704 26.504 ( 3.145 0.390 1.917) 3.704 26.622 ( -1.762 0.378 -0.572) 1.891 26.622 ( 1.762 0.378 0.572) 1.891 26.823 ( -0.240 2.022 -1.887) 2.776 26.823 ( 0.240 2.022 1.887) 2.776 27.040 ( -2.436 -5.795 -3.593) 7.241 27.040 ( 2.436 -5.795 3.593) 7.241 27.192 ( -0.988 -5.316 -5.631) 7.807 27.192 ( 0.988 -5.316 5.631) 7.807 27.412 ( -3.267 -5.016 -5.128) 7.882 27.412 ( 3.267 -5.016 5.128) 7.882 27.589 ( 0.249 -5.521 -2.948) 6.264 27.589 ( -0.249 -5.521 2.948) 6.264 29.061 ( -6.656 15.315 -1.011) 16.730 29.061 ( 6.656 15.315 1.011) 16.730 29.416 ( 0.491 11.311 -6.647) 13.129 29.416 ( -0.491 11.311 6.647) 13.129 30.003 ( -3.828 -15.500 -7.096) 17.472 30.003 ( 3.828 -15.500 7.096) 17.472 30.406 ( 1.060 -14.678 -2.014) 14.854 30.406 ( -1.060 -14.678 2.014) 14.854 ======================= Grid point 95 (43/50) ======================= q-point: ( 0.25 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 4.872 13.012 -13.418) 19.315 1.905 ( -3.959 5.654 4.082) 8.020 2.006 ( 7.943 5.899 -4.763) 10.981 2.111 ( 8.714 13.344 -13.865) 21.124 2.251 ( 1.537 10.060 2.122) 10.396 2.363 ( 1.798 7.812 -11.829) 14.290 2.474 ( 4.385 3.063 14.343) 15.308 2.557 ( -11.846 -0.152 0.188) 11.849 2.711 ( 4.296 -2.957 13.501) 14.473 2.771 ( -10.382 5.369 4.714) 12.603 2.818 ( 3.660 1.621 16.496) 16.975 2.877 ( 6.126 2.380 4.527) 7.981 2.963 ( -2.513 0.823 5.542) 6.141 3.063 ( -5.060 -0.902 -5.999) 7.899 3.184 ( -1.587 4.595 2.541) 5.485 3.233 ( -2.713 3.924 -11.133) 12.112 3.343 ( -1.927 2.314 3.669) 4.747 3.369 ( -3.399 3.247 2.429) 5.291 3.398 ( 0.038 -3.211 -4.995) 5.938 3.523 ( -2.173 7.879 1.416) 8.295 3.533 ( -2.179 -5.221 0.706) 5.701 3.650 ( 2.418 0.334 0.461) 2.484 3.672 ( 4.311 2.639 2.500) 5.639 3.713 ( -2.854 5.100 -6.369) 8.644 3.746 ( 2.707 0.237 3.812) 4.681 3.818 ( -2.775 3.499 6.054) 7.523 3.845 ( -5.437 -3.594 0.507) 6.537 3.885 ( 1.298 -4.466 -4.587) 6.532 3.942 ( -5.752 0.007 -3.873) 6.934 3.994 ( 4.383 5.993 -5.813) 9.430 4.032 ( 2.214 4.721 -1.444) 5.411 4.069 ( 1.847 -0.503 -0.724) 2.046 4.147 ( 1.623 2.705 -1.072) 3.332 4.194 ( 1.304 1.211 3.623) 4.036 4.237 ( 0.325 3.515 -5.250) 6.327 4.323 ( -0.701 5.295 -2.673) 5.973 4.348 ( 0.863 6.693 3.129) 7.439 4.369 ( -1.183 2.812 0.334) 3.069 4.439 ( -0.355 -1.681 3.066) 3.514 4.464 ( -5.522 -1.910 0.244) 5.848 4.542 ( 0.862 2.994 -0.249) 3.126 4.579 ( 3.891 1.773 2.058) 4.745 4.637 ( -1.154 -2.059 -0.940) 2.541 4.660 ( 1.012 -0.699 -1.864) 2.233 4.718 ( -3.767 0.588 -0.848) 3.906 4.802 ( -3.988 5.598 1.769) 7.098 4.823 ( 2.385 6.968 -8.789) 11.467 4.832 ( -0.017 4.566 0.496) 4.593 4.878 ( -1.520 4.518 -0.654) 4.812 4.924 ( -2.673 6.146 5.264) 8.522 4.956 ( 0.842 8.566 -1.826) 8.799 4.993 ( 1.318 1.566 1.684) 2.651 5.013 ( 4.738 5.127 2.094) 7.289 5.039 ( -0.143 2.859 5.242) 5.972 5.109 ( 2.869 9.163 2.418) 9.901 5.115 ( 6.382 -3.796 -0.808) 7.469 5.170 ( -0.385 -2.063 4.482) 4.949 5.216 ( 1.732 -4.194 -5.166) 6.876 5.325 ( 0.746 7.686 -0.284) 7.727 5.378 ( 3.599 2.127 1.207) 4.352 5.438 ( 1.750 3.063 1.503) 3.835 5.491 ( -6.763 2.945 -1.256) 7.483 5.594 ( 5.354 3.067 -4.865) 7.857 5.620 ( 1.860 2.973 0.315) 3.521 5.718 ( -7.983 3.043 1.293) 8.640 5.763 ( -5.616 6.931 2.299) 9.212 5.787 ( 0.812 -0.620 1.102) 1.503 5.823 ( 0.312 6.863 3.163) 7.563 5.872 ( -1.117 2.182 -1.519) 2.884 5.897 ( -3.924 -2.615 1.527) 4.956 5.944 ( 5.798 4.804 1.968) 7.783 6.000 ( -4.928 0.578 1.842) 5.293 6.058 ( 3.352 -2.659 -7.201) 8.376 6.141 ( -0.488 4.540 0.230) 4.572 6.177 ( 3.718 0.698 -1.531) 4.081 6.187 ( 0.952 1.807 0.923) 2.241 6.252 ( 6.949 0.600 -2.294) 7.343 6.295 ( -3.604 6.958 -2.600) 8.255 6.347 ( -2.892 1.634 -0.373) 3.342 6.420 ( -0.632 0.578 1.372) 1.617 6.438 ( -2.106 3.825 4.939) 6.593 6.496 ( 0.986 -3.027 -5.348) 6.224 6.545 ( 0.901 2.108 -0.158) 2.298 6.592 ( -1.128 2.403 1.877) 3.251 6.634 ( -0.709 1.577 -3.385) 3.801 6.671 ( -3.080 3.896 -4.130) 6.459 6.735 ( 3.417 -2.496 -2.973) 5.171 6.775 ( -3.199 2.085 -2.159) 4.387 6.825 ( -2.553 -3.652 -1.638) 4.748 6.850 ( 1.731 -4.277 -1.020) 4.725 6.883 ( 3.891 0.328 0.852) 3.996 7.027 ( -1.881 -3.014 -2.029) 4.092 7.055 ( -2.205 3.508 2.472) 4.825 7.198 ( 6.868 2.879 -2.493) 7.853 7.229 ( 0.936 -7.150 2.094) 7.509 7.283 ( -4.546 0.361 -6.044) 7.572 7.345 ( -4.014 2.321 0.396) 4.653 7.437 ( 1.898 -7.002 4.806) 8.703 7.550 ( 4.138 -0.429 3.293) 5.306 7.625 ( 3.468 -1.630 1.508) 4.118 7.680 ( -1.112 -0.840 0.402) 1.450 7.687 ( 4.284 -1.534 9.862) 10.861 7.716 ( 3.994 0.703 0.157) 4.058 7.770 ( -8.141 1.449 0.942) 8.323 7.872 ( -1.555 0.433 1.973) 2.549 7.960 ( 2.181 2.785 -1.092) 3.702 8.046 ( 4.188 -1.537 -5.358) 6.973 8.086 ( -3.048 -6.732 0.450) 7.404 8.112 ( -0.192 1.130 -4.472) 4.617 8.138 ( -2.287 -5.352 -0.454) 5.838 8.229 ( -1.516 3.204 1.243) 3.757 8.305 ( -2.098 -0.055 -3.336) 3.941 8.618 ( 0.425 10.779 2.804) 11.146 8.670 ( -1.805 11.067 2.692) 11.532 8.723 ( -0.761 7.993 3.522) 8.767 8.782 ( 1.295 8.130 1.704) 8.407 8.932 ( -0.283 2.283 0.397) 2.334 9.064 ( 2.053 3.163 0.212) 3.777 9.198 ( -2.994 -3.174 -1.158) 4.514 9.217 ( -1.029 -1.155 -1.163) 1.935 9.355 ( 2.868 4.382 -0.399) 5.253 9.384 ( -0.917 2.723 -4.806) 5.600 9.481 ( -3.939 -4.342 -4.137) 7.175 9.551 ( 1.020 -3.506 0.074) 3.652 9.573 ( -2.940 -0.979 3.330) 4.549 9.668 ( -3.566 -10.415 2.175) 11.221 9.753 ( 3.394 -3.073 1.882) 4.950 9.826 ( 0.355 -1.251 3.298) 3.545 9.941 ( 2.201 -0.735 -0.920) 2.497 10.013 ( 0.496 -10.491 -0.300) 10.507 10.033 ( -1.137 -2.981 4.165) 5.246 10.298 ( 4.963 -3.382 -2.044) 6.344 10.357 ( 5.010 -6.844 -3.590) 9.210 10.543 ( 2.696 -10.603 -1.511) 11.044 10.599 ( 1.111 -8.446 -5.954) 10.393 10.733 ( -2.308 -6.329 -1.496) 6.901 10.838 ( -2.963 -5.843 -3.922) 7.635 10.908 ( -0.083 -3.752 1.328) 3.981 11.018 ( -7.394 2.118 -2.616) 8.124 11.067 ( 2.614 -2.701 4.188) 5.627 11.219 ( -0.239 -3.238 2.508) 4.102 11.232 ( -0.186 -3.699 4.165) 5.573 11.259 ( -4.537 -0.177 -3.546) 5.761 11.423 ( 1.609 -2.164 1.692) 3.183 11.526 ( 6.771 2.426 0.770) 7.234 11.565 ( 7.338 -2.135 6.119) 9.791 11.748 ( -0.812 -1.676 -6.669) 6.924 11.871 ( -0.536 -3.700 -2.023) 4.251 12.087 ( 0.588 -5.555 -5.046) 7.528 12.260 ( -1.154 -9.224 2.925) 9.745 12.296 ( 0.939 -5.920 -5.583) 8.192 12.314 ( -3.131 -4.670 4.491) 7.196 14.622 ( 0.483 -0.768 1.269) 1.560 14.683 ( 1.688 -0.381 1.965) 2.618 14.699 ( -2.100 -0.938 0.967) 2.495 14.835 ( -0.477 -0.112 -0.604) 0.778 14.911 ( 2.298 2.538 2.441) 4.205 15.008 ( 0.917 1.798 1.985) 2.830 15.074 ( -3.019 7.087 -1.381) 7.826 15.110 ( -4.078 1.459 1.958) 4.753 15.184 ( -0.599 3.030 0.483) 3.126 15.287 ( -0.384 5.451 -3.392) 6.432 15.318 ( 0.721 3.259 -0.104) 3.339 15.389 ( -0.042 1.710 0.446) 1.768 15.531 ( -0.284 -0.913 0.523) 1.090 15.580 ( 2.894 2.541 0.086) 3.852 15.608 ( 0.340 0.562 -1.459) 1.600 15.663 ( 1.005 -0.329 1.246) 1.634 15.749 ( 0.445 -0.104 -0.035) 0.458 15.931 ( 4.008 0.664 5.323) 6.696 15.975 ( -8.601 1.540 1.109) 8.808 16.129 ( 0.497 2.058 -2.455) 3.242 16.224 ( 0.592 -0.715 0.138) 0.938 16.274 ( -2.269 0.609 0.674) 2.444 16.315 ( 0.084 -0.161 1.402) 1.413 16.374 ( 2.957 1.103 -6.506) 7.231 17.377 ( -1.266 39.952 0.359) 39.974 17.666 ( -0.682 41.026 -12.709) 42.955 17.778 ( 12.075 41.703 -7.246) 44.017 18.203 ( -14.596 41.493 28.413) 52.364 20.755 ( 4.971 -16.534 -11.707) 20.860 21.005 ( -8.942 -29.021 5.722) 30.901 21.109 ( -0.751 -28.957 10.723) 30.887 21.319 ( 3.438 -42.538 -4.284) 42.891 25.337 ( -0.959 3.780 0.577) 3.943 25.411 ( -2.853 3.079 -1.080) 4.334 25.472 ( 2.979 4.866 3.849) 6.882 25.578 ( 3.792 4.569 2.080) 6.291 25.671 ( -3.145 8.048 -3.209) 9.217 25.816 ( -3.371 9.210 -3.571) 10.438 25.842 ( 0.660 8.329 2.343) 8.677 26.035 ( -4.026 6.334 2.408) 7.882 26.358 ( 0.246 -0.760 1.011) 1.288 26.367 ( 1.012 -0.796 -0.634) 1.435 26.525 ( 4.682 -0.044 -0.352) 4.695 26.587 ( -0.643 -0.163 -0.585) 0.885 26.614 ( 4.050 -0.536 -0.442) 4.110 26.695 ( 4.947 -0.100 -1.374) 5.135 26.794 ( 0.544 1.489 -2.001) 2.553 26.810 ( -3.007 1.121 -0.359) 3.229 26.950 ( -1.196 -4.789 -2.763) 5.657 27.067 ( -0.191 -4.818 -2.959) 5.657 27.167 ( 0.715 -5.095 1.723) 5.426 27.277 ( 0.706 -6.326 1.317) 6.500 27.324 ( 0.847 -4.463 -1.639) 4.829 27.512 ( 0.679 -4.768 0.014) 4.816 27.527 ( -1.213 -5.574 1.771) 5.973 27.620 ( 1.033 -4.989 -0.632) 5.134 28.958 ( -2.567 17.984 0.665) 18.178 29.137 ( 1.160 12.410 -6.089) 13.872 29.300 ( -3.382 11.397 2.268) 12.103 29.443 ( -2.977 11.316 0.508) 11.712 29.963 ( 5.802 -12.104 -2.379) 13.632 30.152 ( 5.977 -16.725 -0.939) 17.785 30.359 ( -5.240 -14.996 4.095) 16.404 30.407 ( -1.451 -14.450 0.263) 14.525 ======================= Grid point 96 (44/50) ======================= q-point: (-0.50 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -5.685 9.767 -1.750) 11.436 1.854 ( 5.685 9.767 1.750) 11.436 2.074 ( -6.590 8.826 0.404) 11.022 2.074 ( 6.590 8.826 -0.404) 11.022 2.303 ( -3.529 12.516 -3.597) 13.493 2.303 ( 3.529 12.516 3.597) 13.493 2.505 ( 12.141 7.072 -10.327) 17.437 2.505 ( -12.141 7.072 10.327) 17.437 2.722 ( -3.668 -5.695 -14.110) 15.651 2.722 ( 3.668 -5.695 14.110) 15.651 2.956 ( -5.016 4.331 -5.881) 8.860 2.956 ( 5.016 4.331 5.881) 8.860 3.031 ( -2.139 -6.944 -2.123) 7.569 3.031 ( 2.139 -6.944 2.123) 7.569 3.173 ( 1.642 4.472 -5.091) 6.973 3.173 ( -1.642 4.472 5.091) 6.973 3.344 ( 1.127 -0.396 -4.188) 4.355 3.344 ( -1.127 -0.396 4.188) 4.355 3.438 ( -4.945 5.189 -4.855) 8.657 3.438 ( 4.945 5.189 4.855) 8.657 3.541 ( -3.728 3.156 -4.287) 6.499 3.541 ( 3.728 3.156 4.287) 6.499 3.703 ( 2.273 -2.229 -9.036) 9.581 3.703 ( -2.273 -2.229 9.036) 9.581 3.780 ( -3.171 2.407 -1.746) 4.347 3.780 ( 3.171 2.407 1.746) 4.347 3.864 ( 1.846 -0.357 -5.109) 5.444 3.864 ( -1.846 -0.357 5.109) 5.444 3.969 ( -7.111 10.508 -7.115) 14.547 3.969 ( 7.111 10.508 7.115) 14.547 4.046 ( 3.525 1.322 -2.460) 4.497 4.046 ( -3.525 1.322 2.460) 4.497 4.173 ( -3.130 -2.599 -1.613) 4.377 4.173 ( 3.130 -2.599 1.613) 4.377 4.260 ( -1.745 -0.167 -1.672) 2.422 4.260 ( 1.745 -0.167 1.672) 2.422 4.344 ( -0.962 3.238 -2.615) 4.272 4.344 ( 0.962 3.238 2.615) 4.272 4.496 ( 0.525 -0.125 -4.688) 4.719 4.496 ( -0.525 -0.125 4.688) 4.719 4.566 ( -3.652 -0.137 -7.021) 7.915 4.566 ( 3.652 -0.137 7.021) 7.915 4.631 ( -1.087 5.573 -4.192) 7.058 4.631 ( 1.087 5.573 4.192) 7.058 4.679 ( -0.832 -3.324 -3.256) 4.727 4.679 ( 0.832 -3.324 3.256) 4.727 4.835 ( 4.517 8.965 -6.305) 11.854 4.835 ( -4.517 8.965 6.305) 11.854 4.934 ( -1.057 5.445 -1.266) 5.690 4.934 ( 1.057 5.445 1.266) 5.690 4.981 ( 2.007 5.830 -4.907) 7.880 4.981 ( -2.007 5.830 4.907) 7.880 5.084 ( 3.709 4.289 -9.475) 11.043 5.084 ( -3.709 4.289 9.475) 11.043 5.127 ( -1.125 -1.276 -2.112) 2.712 5.127 ( 1.125 -1.276 2.112) 2.712 5.212 ( -0.533 1.847 -3.126) 3.670 5.212 ( 0.533 1.847 3.126) 3.670 5.328 ( 4.214 4.662 -3.814) 7.351 5.328 ( -4.214 4.662 3.814) 7.351 5.482 ( -2.834 2.322 -2.861) 4.649 5.482 ( 2.834 2.322 2.861) 4.649 5.636 ( -3.548 7.624 -2.270) 8.710 5.636 ( 3.548 7.624 2.270) 8.710 5.703 ( 5.342 -2.186 -4.235) 7.159 5.703 ( -5.342 -2.186 4.235) 7.159 5.797 ( 0.300 0.515 -2.542) 2.611 5.797 ( -0.300 0.515 2.542) 2.611 5.852 ( 1.762 2.942 -1.928) 3.935 5.852 ( -1.762 2.942 1.928) 3.935 6.019 ( -2.514 -0.016 -4.645) 5.282 6.019 ( 2.514 -0.016 4.645) 5.282 6.094 ( -2.680 7.114 -5.030) 9.115 6.094 ( 2.680 7.114 5.030) 9.115 6.205 ( -3.471 0.847 0.299) 3.585 6.205 ( 3.471 0.847 -0.299) 3.585 6.257 ( 0.890 4.998 -7.485) 9.044 6.257 ( -0.890 4.998 7.485) 9.044 6.333 ( -2.976 -4.956 -1.358) 5.938 6.333 ( 2.976 -4.956 1.358) 5.938 6.502 ( -2.896 -0.045 0.247) 2.907 6.502 ( 2.896 -0.045 -0.247) 2.907 6.557 ( 1.952 5.317 -2.327) 6.123 6.557 ( -1.952 5.317 2.327) 6.123 6.592 ( -3.362 3.390 -0.574) 4.809 6.592 ( 3.362 3.390 0.574) 4.809 6.741 ( -0.349 -1.705 -1.718) 2.445 6.741 ( 0.349 -1.705 1.718) 2.445 6.834 ( 1.851 0.132 -4.209) 4.600 6.834 ( -1.851 0.132 4.209) 4.600 7.019 ( 1.190 -3.159 -9.307) 9.901 7.019 ( -1.190 -3.159 9.307) 9.901 7.098 ( -6.509 -0.033 -2.843) 7.102 7.098 ( 6.509 -0.033 2.843) 7.102 7.262 ( 6.653 -3.171 -4.292) 8.529 7.262 ( -6.653 -3.171 4.292) 8.529 7.327 ( -6.084 -2.290 -1.050) 6.585 7.327 ( 6.084 -2.290 1.050) 6.585 7.609 ( -3.226 4.410 -1.265) 5.609 7.609 ( 3.226 4.410 1.265) 5.609 7.709 ( 1.344 -0.359 -3.252) 3.537 7.709 ( -1.344 -0.359 3.252) 3.537 7.831 ( -4.153 -1.527 -2.976) 5.333 7.831 ( 4.153 -1.527 2.976) 5.333 7.966 ( -6.340 0.499 -4.645) 7.875 7.966 ( 6.340 0.499 4.645) 7.875 8.012 ( -0.792 -1.246 -9.663) 9.775 8.012 ( 0.792 -1.246 9.663) 9.775 8.094 ( -0.979 -2.419 -3.491) 4.358 8.094 ( 0.979 -2.419 3.491) 4.358 8.220 ( 0.630 -1.147 -5.233) 5.394 8.220 ( -0.630 -1.147 5.233) 5.394 8.669 ( -1.172 5.656 -1.477) 5.962 8.669 ( 1.172 5.656 1.477) 5.962 8.772 ( -2.301 13.359 -3.490) 13.997 8.772 ( 2.301 13.359 3.490) 13.997 9.006 ( -2.562 3.468 -5.888) 7.298 9.006 ( 2.562 3.468 5.888) 7.298 9.184 ( 0.096 -2.935 -2.644) 3.952 9.184 ( -0.096 -2.935 2.644) 3.952 9.324 ( -0.383 3.336 -3.770) 5.049 9.324 ( 0.383 3.336 3.770) 5.049 9.504 ( -1.937 1.845 -4.301) 5.065 9.504 ( 1.937 1.845 4.301) 5.065 9.611 ( -0.267 -11.974 -5.698) 13.263 9.611 ( 0.267 -11.974 5.698) 13.263 9.833 ( 3.504 -1.965 -1.480) 4.282 9.833 ( -3.504 -1.965 1.480) 4.282 9.967 ( -0.962 -4.183 -2.424) 4.929 9.967 ( 0.962 -4.183 2.424) 4.929 10.183 ( -4.939 -3.033 -10.116) 11.659 10.183 ( 4.939 -3.033 10.116) 11.659 10.483 ( -3.942 -9.668 -0.630) 10.460 10.483 ( 3.942 -9.668 0.630) 10.460 10.663 ( 2.139 -8.384 -6.126) 10.601 10.663 ( -2.139 -8.384 6.126) 10.601 10.865 ( -5.499 0.400 -1.375) 5.683 10.865 ( 5.499 0.400 1.375) 5.683 11.007 ( -8.269 -5.649 -1.135) 10.078 11.007 ( 8.269 -5.649 1.135) 10.078 11.173 ( -2.129 -1.233 -2.067) 3.213 11.173 ( 2.129 -1.233 2.067) 3.213 11.377 ( -2.649 -1.538 -5.968) 6.708 11.377 ( 2.649 -1.538 5.968) 6.708 11.639 ( -0.611 0.952 -6.828) 6.921 11.639 ( 0.611 0.952 6.828) 6.921 11.775 ( -0.479 -6.515 -11.179) 12.948 11.775 ( 0.479 -6.515 11.179) 12.948 12.174 ( -5.903 -3.491 -2.873) 7.435 12.174 ( 5.903 -3.491 2.873) 7.435 12.292 ( 5.577 -7.336 -10.440) 13.926 12.292 ( -5.577 -7.336 10.440) 13.926 14.658 ( -0.476 -0.778 -1.821) 2.036 14.658 ( 0.476 -0.778 1.821) 2.036 14.762 ( -3.300 -1.252 -3.186) 4.755 14.762 ( 3.300 -1.252 3.186) 4.755 14.996 ( -2.267 5.917 -2.813) 6.933 14.996 ( 2.267 5.917 2.813) 6.933 15.056 ( -2.128 1.809 -3.600) 4.556 15.056 ( 2.128 1.809 3.600) 4.556 15.222 ( -2.256 4.309 -2.771) 5.598 15.222 ( 2.256 4.309 2.771) 5.598 15.357 ( -0.615 1.240 -1.334) 1.922 15.357 ( 0.615 1.240 1.334) 1.922 15.560 ( -0.645 0.828 -3.411) 3.569 15.560 ( 0.645 0.828 3.411) 3.569 15.655 ( -1.860 0.424 -0.561) 1.988 15.655 ( 1.860 0.424 0.561) 1.988 15.823 ( -3.174 1.562 -2.781) 4.499 15.823 ( 3.174 1.562 2.781) 4.499 16.065 ( -2.546 0.178 -6.480) 6.964 16.065 ( 2.546 0.178 6.480) 6.964 16.236 ( -0.368 0.565 -0.338) 0.754 16.236 ( 0.368 0.565 0.338) 0.754 16.348 ( 0.472 1.051 -4.224) 4.379 16.348 ( -0.472 1.051 4.224) 4.379 17.452 ( -4.792 40.171 -7.440) 41.134 17.452 ( 4.792 40.171 7.440) 41.134 18.060 ( 22.971 41.776 -14.180) 49.739 18.060 ( -22.971 41.776 14.180) 49.739 20.827 ( 12.344 -20.556 -6.454) 24.831 20.827 ( -12.344 -20.556 6.454) 24.831 21.263 ( -1.753 -37.834 -9.161) 38.967 21.263 ( 1.753 -37.834 9.161) 38.967 25.355 ( -0.710 3.241 -2.374) 4.079 25.355 ( 0.710 3.241 2.374) 4.079 25.569 ( -2.394 6.060 -4.500) 7.919 25.569 ( 2.394 6.060 4.500) 7.919 25.693 ( -4.128 7.135 -3.918) 9.127 25.693 ( 4.128 7.135 3.918) 9.127 25.938 ( -0.630 7.646 -6.147) 9.831 25.938 ( 0.630 7.646 6.147) 9.831 26.371 ( 0.216 -0.835 -1.085) 1.386 26.371 ( -0.216 -0.835 1.085) 1.386 26.577 ( -0.165 0.127 -1.329) 1.345 26.577 ( 0.165 0.127 1.329) 1.345 26.686 ( -3.980 -1.306 -0.466) 4.214 26.686 ( 3.980 -1.306 0.466) 4.214 26.763 ( 1.002 0.826 -2.360) 2.693 26.763 ( -1.002 0.826 2.360) 2.693 27.002 ( -3.164 -3.748 -2.768) 5.632 27.002 ( 3.164 -3.748 2.768) 5.632 27.222 ( -1.241 -5.612 -4.202) 7.120 27.222 ( 1.241 -5.612 4.202) 7.120 27.416 ( -4.548 -5.252 -2.810) 7.495 27.416 ( 4.548 -5.252 2.810) 7.495 27.600 ( -0.708 -4.683 -3.339) 5.795 27.600 ( 0.708 -4.683 3.339) 5.795 29.013 ( -3.883 14.804 -6.040) 16.454 29.013 ( 3.883 14.804 6.040) 16.454 29.359 ( -4.438 11.902 -1.786) 12.827 29.359 ( 4.438 11.902 1.786) 12.827 30.108 ( -5.652 -14.684 -4.932) 16.489 30.108 ( 5.652 -14.684 4.932) 16.489 30.365 ( -0.304 -14.509 -4.090) 15.077 30.365 ( 0.304 -14.509 4.090) 15.077 ======================= Grid point 99 (45/50) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -0.776 2.358 -5.437) 5.977 1.899 ( 0.776 2.358 5.437) 5.977 2.285 ( 4.272 2.785 -4.931) 7.094 2.285 ( -4.272 2.785 4.931) 7.094 2.436 ( 1.405 8.205 -2.994) 8.847 2.436 ( -1.405 8.205 2.994) 8.847 2.512 ( -1.150 2.698 -11.873) 12.230 2.512 ( 1.150 2.698 11.873) 12.230 2.643 ( 1.238 5.381 -12.976) 14.102 2.643 ( -1.238 5.381 12.976) 14.102 2.911 ( 2.077 1.150 -8.060) 8.402 2.911 ( -2.077 1.150 8.060) 8.402 3.058 ( -0.546 -0.268 -10.454) 10.471 3.058 ( 0.546 -0.268 10.454) 10.471 3.228 ( -2.572 -5.823 -7.301) 9.687 3.228 ( 2.572 -5.823 7.301) 9.687 3.363 ( 1.862 -2.131 -4.435) 5.261 3.363 ( -1.862 -2.131 4.435) 5.261 3.435 ( -1.815 -0.916 -4.327) 4.781 3.435 ( 1.815 -0.916 4.327) 4.781 3.574 ( -0.148 -4.355 -2.067) 4.823 3.574 ( 0.148 -4.355 2.067) 4.823 3.642 ( -4.641 -5.258 -7.000) 9.909 3.642 ( 4.641 -5.258 7.000) 9.909 3.756 ( 0.076 -0.431 -1.663) 1.719 3.756 ( -0.076 -0.431 1.663) 1.719 3.843 ( -1.914 0.552 -2.834) 3.464 3.843 ( 1.914 0.552 2.834) 3.464 4.034 ( -0.500 -0.918 -0.982) 1.434 4.034 ( 0.500 -0.918 0.982) 1.434 4.136 ( -1.770 2.510 -3.578) 4.715 4.136 ( 1.770 2.510 3.578) 4.715 4.217 ( -2.751 -4.581 -3.277) 6.269 4.217 ( 2.751 -4.581 3.277) 6.269 4.299 ( -4.658 0.057 -0.901) 4.744 4.299 ( 4.658 0.057 0.901) 4.744 4.407 ( -0.903 0.470 -0.284) 1.057 4.407 ( 0.903 0.470 0.284) 1.057 4.429 ( 2.703 0.101 -4.391) 5.157 4.429 ( -2.703 0.101 4.391) 5.157 4.646 ( 0.081 4.073 -5.545) 6.881 4.646 ( -0.081 4.073 5.545) 6.881 4.692 ( -5.620 0.044 -1.422) 5.797 4.692 ( 5.620 0.044 1.422) 5.797 4.793 ( -3.469 3.149 -4.680) 6.623 4.793 ( 3.469 3.149 4.680) 6.623 4.874 ( 1.693 0.777 -1.159) 2.194 4.874 ( -1.693 0.777 1.159) 2.194 4.970 ( 2.680 0.875 -2.711) 3.911 4.970 ( -2.680 0.875 2.711) 3.911 5.041 ( 1.497 4.511 -13.871) 14.663 5.041 ( -1.497 4.511 13.871) 14.663 5.098 ( 1.445 3.875 -6.236) 7.483 5.098 ( -1.445 3.875 6.236) 7.483 5.164 ( 2.856 9.010 -3.088) 9.944 5.164 ( -2.856 9.010 3.088) 9.944 5.209 ( 0.287 4.181 -2.812) 5.047 5.209 ( -0.287 4.181 2.812) 5.047 5.500 ( -2.562 10.265 -1.076) 10.634 5.500 ( 2.562 10.265 1.076) 10.634 5.583 ( -0.699 5.991 -4.699) 7.646 5.583 ( 0.699 5.991 4.699) 7.646 5.689 ( -5.023 -2.004 -1.978) 5.758 5.689 ( 5.023 -2.004 1.978) 5.758 5.749 ( -0.911 -0.474 -5.235) 5.334 5.749 ( 0.911 -0.474 5.235) 5.334 5.858 ( -1.058 2.772 -6.031) 6.721 5.858 ( 1.058 2.772 6.031) 6.721 5.977 ( -0.244 2.164 -0.016) 2.177 5.977 ( 0.244 2.164 0.016) 2.177 6.036 ( -0.143 -1.105 -2.131) 2.405 6.036 ( 0.143 -1.105 2.131) 2.405 6.120 ( -0.412 3.704 -1.641) 4.072 6.120 ( 0.412 3.704 1.641) 4.072 6.163 ( -4.403 4.146 -1.720) 6.287 6.163 ( 4.403 4.146 1.720) 6.287 6.312 ( -0.512 -2.194 -3.849) 4.460 6.312 ( 0.512 -2.194 3.849) 4.460 6.401 ( -2.063 1.794 -3.167) 4.184 6.401 ( 2.063 1.794 3.167) 4.184 6.492 ( -1.770 0.214 -1.571) 2.377 6.492 ( 1.770 0.214 1.571) 2.377 6.629 ( -0.230 5.756 -2.294) 6.201 6.629 ( 0.230 5.756 2.294) 6.201 6.723 ( 0.826 5.253 -2.565) 5.904 6.723 ( -0.826 5.253 2.565) 5.904 6.793 ( 0.752 -1.021 -3.565) 3.784 6.793 ( -0.752 -1.021 3.565) 3.784 6.872 ( -5.348 -0.502 -4.623) 7.087 6.872 ( 5.348 -0.502 4.623) 7.087 6.977 ( -5.679 3.571 -6.463) 9.315 6.977 ( 5.679 3.571 6.463) 9.315 7.074 ( -0.831 -1.764 -6.164) 6.465 7.074 ( 0.831 -1.764 6.164) 6.465 7.237 ( 1.428 2.678 -2.556) 3.968 7.237 ( -1.428 2.678 2.556) 3.968 7.425 ( -8.563 -0.007 -0.453) 8.574 7.425 ( 8.563 -0.007 0.453) 8.574 7.453 ( -1.609 1.179 -0.912) 2.194 7.453 ( 1.609 1.179 0.912) 2.194 7.692 ( -3.265 3.994 -1.739) 5.444 7.692 ( 3.265 3.994 1.739) 5.444 7.794 ( -6.178 -1.084 -0.805) 6.323 7.794 ( 6.178 -1.084 0.805) 6.323 7.924 ( -1.512 4.109 -2.251) 4.923 7.924 ( 1.512 4.109 2.251) 4.923 8.050 ( -0.231 0.312 -1.142) 1.206 8.050 ( 0.231 0.312 1.142) 1.206 8.191 ( 1.648 -2.339 -1.751) 3.354 8.191 ( -1.648 -2.339 1.751) 3.354 8.308 ( 0.049 5.973 -2.922) 6.650 8.308 ( -0.049 5.973 2.922) 6.650 8.649 ( -1.799 -5.857 -2.028) 6.454 8.649 ( 1.799 -5.857 2.028) 6.454 8.858 ( -1.148 -3.243 -2.555) 4.285 8.858 ( 1.148 -3.243 2.555) 4.285 8.985 ( -2.059 -3.200 -2.458) 4.530 8.985 ( 2.059 -3.200 2.458) 4.530 9.181 ( 4.511 -0.122 -3.459) 5.685 9.181 ( -4.511 -0.122 3.459) 5.685 9.323 ( 0.144 -4.533 -2.106) 5.000 9.323 ( -0.144 -4.533 2.106) 5.000 9.411 ( -4.226 -7.979 -4.494) 10.086 9.411 ( 4.226 -7.979 4.494) 10.086 9.583 ( -0.636 -2.143 -1.768) 2.851 9.583 ( 0.636 -2.143 1.768) 2.851 9.757 ( -1.869 -3.633 -3.724) 5.529 9.757 ( 1.869 -3.633 3.724) 5.529 9.844 ( -6.865 -0.873 -0.839) 6.971 9.844 ( 6.865 -0.873 0.839) 6.971 10.094 ( -5.527 -3.678 -4.898) 8.250 10.094 ( 5.527 -3.678 4.898) 8.250 10.228 ( 0.245 -4.181 -0.705) 4.247 10.228 ( -0.245 -4.181 0.705) 4.247 10.576 ( -2.251 -4.755 -0.549) 5.290 10.576 ( 2.251 -4.755 0.549) 5.290 10.906 ( -2.545 -1.567 -5.212) 6.008 10.906 ( 2.545 -1.567 5.212) 6.008 10.984 ( -3.652 1.091 -6.047) 7.148 10.984 ( 3.652 1.091 6.047) 7.148 11.204 ( -7.196 -3.143 -2.607) 8.274 11.204 ( 7.196 -3.143 2.607) 8.274 11.324 ( 4.229 -0.443 -2.550) 4.958 11.324 ( -4.229 -0.443 2.550) 4.958 11.519 ( 2.242 6.716 -2.359) 7.463 11.519 ( -2.242 6.716 2.359) 7.463 11.837 ( -0.307 0.572 -2.648) 2.726 11.837 ( 0.307 0.572 2.648) 2.726 12.013 ( -1.060 -6.909 -6.640) 9.641 12.013 ( 1.060 -6.909 6.640) 9.641 12.235 ( 3.937 -3.948 -9.804) 11.278 12.235 ( -3.937 -3.948 9.804) 11.278 14.678 ( -0.880 4.757 -3.718) 6.101 14.678 ( 0.880 4.757 3.718) 6.101 14.784 ( -4.306 2.276 -1.314) 5.045 14.784 ( 4.306 2.276 1.314) 5.045 14.987 ( -1.412 1.918 -1.791) 2.980 14.987 ( 1.412 1.918 1.791) 2.980 15.175 ( -3.604 -0.218 -3.209) 4.830 15.175 ( 3.604 -0.218 3.209) 4.830 15.342 ( -5.337 5.749 0.471) 7.859 15.342 ( 5.337 5.749 -0.471) 7.859 15.455 ( -2.559 4.223 -0.884) 5.016 15.455 ( 2.559 4.223 0.884) 5.016 15.558 ( -4.309 2.744 -0.088) 5.109 15.558 ( 4.309 2.744 0.088) 5.109 15.610 ( 1.247 -1.578 -1.987) 2.827 15.610 ( -1.247 -1.578 1.987) 2.827 15.801 ( -4.285 -0.590 -3.861) 5.799 15.801 ( 4.285 -0.590 3.861) 5.799 16.128 ( -6.702 -0.475 0.334) 6.727 16.128 ( 6.702 -0.475 -0.334) 6.727 16.197 ( -0.621 -1.453 -0.519) 1.663 16.197 ( 0.621 -1.453 0.519) 1.663 16.344 ( 4.549 -2.191 -4.083) 6.494 16.344 ( -4.549 -2.191 4.083) 6.494 18.321 ( -8.335 40.666 -1.315) 41.532 18.321 ( 8.335 40.666 1.315) 41.532 18.795 ( -0.889 34.056 -21.004) 40.023 18.795 ( 0.889 34.056 21.004) 40.023 20.413 ( 0.009 -25.250 -4.168) 25.592 20.413 ( -0.009 -25.250 4.168) 25.592 20.515 ( 1.935 -31.489 -3.630) 31.757 20.515 ( -1.935 -31.489 3.630) 31.757 25.456 ( -2.241 3.161 -2.365) 4.540 25.456 ( 2.241 3.161 2.365) 4.540 25.558 ( -1.764 2.518 -3.670) 4.788 25.558 ( 1.764 2.518 3.670) 4.788 25.918 ( -2.236 7.047 -3.586) 8.217 25.918 ( 2.236 7.047 3.586) 8.217 26.087 ( -1.105 2.782 -5.963) 6.672 26.087 ( 1.105 2.782 5.963) 6.672 26.350 ( 0.380 -0.036 -0.850) 0.932 26.350 ( -0.380 -0.036 0.850) 0.932 26.510 ( -2.963 -0.003 -1.830) 3.482 26.510 ( 2.963 -0.003 1.830) 3.482 26.624 ( -2.340 0.073 -0.551) 2.405 26.624 ( 2.340 0.073 0.551) 2.405 26.832 ( -0.364 -2.194 -1.676) 2.784 26.832 ( 0.364 -2.194 1.676) 2.784 26.950 ( -1.416 -2.071 -2.376) 3.456 26.950 ( 1.416 -2.071 2.376) 3.456 27.096 ( 0.538 -3.912 -4.736) 6.166 27.096 ( -0.538 -3.912 4.736) 6.166 27.312 ( -2.855 -4.298 -3.791) 6.402 27.312 ( 2.855 -4.298 3.791) 6.402 27.466 ( 0.017 -5.976 -1.551) 6.174 27.466 ( -0.017 -5.976 1.551) 6.174 29.312 ( -4.884 9.403 -1.243) 10.669 29.312 ( 4.884 9.403 1.243) 10.669 29.581 ( -7.017 2.650 -4.039) 8.519 29.581 ( 7.017 2.650 4.039) 8.519 29.797 ( -1.351 -3.044 -1.897) 3.832 29.797 ( 1.351 -3.044 1.897) 3.832 30.144 ( 0.051 -10.360 -2.430) 10.641 30.144 ( -0.051 -10.360 2.430) 10.641 ======================= Grid point 101 (46/50) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 5.247 6.284 3.704) 8.986 2.060 ( 7.352 1.337 7.040) 10.267 2.132 ( -7.241 11.930 -0.561) 13.967 2.329 ( 1.483 3.337 0.547) 3.692 2.379 ( -4.530 -0.604 0.401) 4.587 2.497 ( 4.693 7.241 -2.910) 9.107 2.553 ( 4.672 3.975 -3.888) 7.263 2.606 ( 6.710 7.390 -1.445) 10.086 2.646 ( 1.476 0.698 -4.735) 5.008 2.703 ( 2.078 -2.060 11.365) 11.736 2.864 ( -5.826 3.217 -0.181) 6.658 2.933 ( -5.255 -3.029 -2.161) 6.439 3.035 ( 1.147 5.741 19.300) 20.169 3.054 ( -7.586 -0.434 -3.983) 8.579 3.141 ( -0.774 -7.397 -5.589) 9.303 3.211 ( -0.776 -3.115 -3.532) 4.773 3.291 ( -2.101 -3.507 1.157) 4.249 3.347 ( -3.976 0.925 2.005) 4.547 3.409 ( -0.849 1.405 0.671) 1.774 3.460 ( -3.260 -3.282 1.292) 4.803 3.514 ( -1.847 -8.677 3.083) 9.392 3.599 ( 0.777 -3.695 -0.922) 3.887 3.610 ( 1.330 -3.182 3.409) 4.849 3.731 ( -1.268 -1.750 -1.165) 2.455 3.758 ( 0.605 -1.179 -1.536) 2.029 3.796 ( 2.934 -1.070 5.615) 6.425 3.836 ( -0.210 -0.895 -3.767) 3.878 3.880 ( 1.001 -0.402 1.979) 2.254 3.933 ( -4.110 -3.003 -1.928) 5.443 4.043 ( 0.198 1.905 2.896) 3.472 4.133 ( 0.056 3.211 -2.405) 4.012 4.153 ( -2.379 0.224 -2.122) 3.196 4.183 ( 5.799 -0.960 -0.533) 5.902 4.231 ( -5.244 -3.189 2.571) 6.654 4.264 ( -0.458 -0.393 -0.445) 0.749 4.308 ( 0.435 -0.604 0.833) 1.117 4.377 ( -0.474 -1.076 -2.509) 2.770 4.412 ( -0.113 1.559 -1.225) 1.986 4.430 ( 0.777 0.701 1.290) 1.661 4.521 ( 2.160 1.268 -2.253) 3.369 4.556 ( -0.299 -0.088 -4.079) 4.091 4.599 ( -2.319 5.253 -2.696) 6.344 4.664 ( 0.495 -0.317 -3.559) 3.607 4.713 ( -2.220 2.845 -1.318) 3.842 4.753 ( 1.164 6.021 -8.254) 10.283 4.798 ( 2.371 -1.322 0.719) 2.809 4.907 ( 4.203 2.125 2.700) 5.429 4.923 ( 1.055 1.416 4.676) 4.998 4.969 ( 0.083 1.177 -0.573) 1.312 4.993 ( 0.858 0.877 7.084) 7.189 5.010 ( 0.427 -0.552 -4.731) 4.782 5.088 ( 0.804 6.277 3.505) 7.234 5.106 ( 2.774 -0.900 2.853) 4.080 5.128 ( -1.166 7.675 4.100) 8.779 5.169 ( 1.209 4.265 -3.684) 5.763 5.202 ( 2.854 7.392 1.293) 8.029 5.271 ( 3.789 7.463 1.212) 8.457 5.305 ( 5.882 5.147 -4.422) 8.980 5.439 ( -6.367 3.020 -4.147) 8.177 5.447 ( -1.217 9.687 0.466) 9.775 5.536 ( -2.161 7.278 -1.642) 7.767 5.570 ( -0.499 0.062 -1.614) 1.691 5.627 ( -0.937 1.544 -6.371) 6.622 5.755 ( -1.366 4.216 -0.858) 4.514 5.773 ( -3.563 4.910 1.158) 6.177 5.782 ( 0.706 -0.813 2.238) 2.483 5.798 ( 3.698 6.056 5.585) 9.031 5.885 ( -1.698 0.574 -0.089) 1.795 5.927 ( -4.881 -0.952 -0.042) 4.973 5.954 ( -2.864 1.755 -0.404) 3.383 6.011 ( 0.191 1.841 0.035) 1.851 6.052 ( 2.318 4.330 1.359) 5.096 6.089 ( -1.034 5.666 -1.797) 6.033 6.105 ( 1.430 -4.065 1.650) 4.614 6.158 ( 2.910 0.396 -2.566) 3.900 6.252 ( 2.268 -0.069 -0.098) 2.271 6.291 ( 3.082 4.096 -3.519) 6.218 6.325 ( -1.724 -7.509 -1.900) 7.936 6.362 ( 3.172 2.003 -1.651) 4.098 6.398 ( -0.992 -0.069 -0.139) 1.004 6.507 ( -2.864 9.208 -0.696) 9.668 6.535 ( -3.982 -2.626 -0.738) 4.827 6.565 ( 2.097 1.410 1.408) 2.893 6.607 ( 0.752 -2.459 -1.832) 3.158 6.691 ( -1.501 5.886 1.024) 6.160 6.722 ( 3.343 6.722 -1.897) 7.743 6.764 ( -1.519 2.208 1.186) 2.931 6.777 ( -0.412 2.727 -1.345) 3.068 6.851 ( 1.560 3.076 -1.750) 3.867 6.890 ( 1.632 7.931 0.462) 8.110 6.929 ( 0.535 1.430 -8.040) 8.184 6.976 ( -0.716 1.631 2.935) 3.434 7.116 ( -6.097 1.624 0.369) 6.321 7.153 ( -2.774 0.491 6.144) 6.759 7.247 ( 1.924 -1.420 -3.365) 4.128 7.295 ( 6.220 -1.617 8.065) 10.312 7.400 ( 0.540 5.171 3.021) 6.013 7.431 ( -3.681 3.267 2.732) 5.629 7.509 ( -2.748 -1.091 2.052) 3.599 7.586 ( 3.638 1.280 2.197) 4.439 7.619 ( -1.078 -0.573 0.150) 1.230 7.689 ( 5.954 -1.412 1.912) 6.411 7.781 ( 5.345 4.909 -3.595) 8.099 7.805 ( -5.905 -1.679 4.592) 7.666 7.880 ( -2.695 0.171 -0.144) 2.704 7.923 ( 1.121 -3.990 -3.150) 5.206 8.016 ( -1.892 3.377 -1.474) 4.142 8.053 ( 2.824 4.469 -1.200) 5.421 8.136 ( -1.254 0.700 -3.756) 4.022 8.187 ( 1.391 2.747 -1.984) 3.663 8.291 ( -1.478 3.444 -1.685) 4.109 8.345 ( -0.749 4.883 -2.951) 5.755 8.616 ( 0.223 -5.841 0.479) 5.865 8.692 ( -1.505 -8.626 4.038) 9.642 8.816 ( -0.420 -4.290 -0.601) 4.352 8.881 ( -1.545 -2.693 2.226) 3.820 8.993 ( 1.354 -1.857 3.740) 4.390 9.052 ( 1.129 -3.322 2.020) 4.049 9.130 ( -3.892 2.405 4.357) 6.318 9.175 ( -2.457 -1.621 3.415) 4.509 9.280 ( 0.058 -8.613 -10.557) 13.625 9.325 ( 3.233 -10.994 -2.941) 11.831 9.401 ( 4.004 -2.531 0.440) 4.757 9.468 ( -2.920 -0.189 -3.991) 4.949 9.543 ( -2.690 -5.186 0.189) 5.846 9.563 ( -0.639 -1.339 -1.193) 1.904 9.675 ( -1.883 -3.567 1.168) 4.199 9.779 ( -2.328 -4.489 3.751) 6.296 9.865 ( 3.698 -2.681 5.006) 6.777 9.947 ( 3.316 0.309 -0.730) 3.409 10.007 ( -0.115 -0.211 0.213) 0.321 10.216 ( 0.113 -5.320 0.049) 5.321 10.246 ( 6.414 -2.191 0.155) 6.779 10.333 ( 5.396 -6.538 2.373) 8.803 10.451 ( -4.993 -4.016 -4.134) 7.625 10.579 ( 0.967 -6.484 -7.111) 9.672 10.808 ( -1.107 0.978 -2.324) 2.754 10.896 ( -1.768 1.412 2.748) 3.560 11.031 ( -4.268 -0.487 -0.376) 4.312 11.050 ( 2.699 -0.365 2.105) 3.442 11.147 ( -9.371 -2.965 -0.903) 9.870 11.184 ( 3.158 -2.024 8.313) 9.120 11.267 ( -1.329 -0.773 -2.370) 2.825 11.347 ( 1.373 -1.236 0.348) 1.880 11.577 ( 4.288 3.358 -0.263) 5.452 11.626 ( 7.380 4.714 -1.180) 8.836 11.754 ( -2.472 -0.961 -5.130) 5.775 11.788 ( -4.006 -0.769 -1.423) 4.320 11.994 ( 3.272 -4.685 -1.970) 6.045 12.123 ( 4.582 -3.077 1.973) 5.861 12.170 ( -4.092 -5.987 -0.431) 7.265 12.252 ( -2.816 -2.229 3.707) 5.162 14.646 ( 1.097 3.088 -2.339) 4.027 14.722 ( -1.891 2.835 -0.705) 3.480 14.733 ( 1.781 4.481 1.589) 5.077 14.878 ( 1.667 3.685 -0.892) 4.142 14.955 ( 1.789 1.585 -0.012) 2.390 15.033 ( 2.364 -0.250 1.271) 2.696 15.113 ( -2.555 1.395 4.685) 5.516 15.250 ( -0.526 3.081 2.122) 3.778 15.254 ( -4.803 7.740 0.153) 9.111 15.389 ( -3.134 3.659 -0.074) 4.818 15.419 ( 1.001 5.418 -0.504) 5.533 15.433 ( -2.744 2.184 -0.724) 3.581 15.487 ( -0.291 -2.473 -0.973) 2.673 15.598 ( 0.874 0.319 3.391) 3.516 15.616 ( -1.693 -1.048 1.254) 2.353 15.657 ( 2.179 0.025 -1.683) 2.754 15.762 ( 4.257 2.178 -1.322) 4.961 15.927 ( 4.613 -1.066 3.686) 6.000 15.998 ( -7.094 0.939 0.475) 7.172 16.130 ( -2.264 -1.174 -2.457) 3.541 16.222 ( 1.615 -0.082 -1.435) 2.162 16.249 ( 1.085 -2.596 2.002) 3.453 16.291 ( -1.385 -2.144 1.156) 2.803 16.364 ( 2.568 -1.808 -5.158) 6.039 18.228 ( -1.190 42.029 0.836) 42.054 18.481 ( 1.157 38.148 -9.561) 39.345 18.597 ( 8.158 38.209 -6.922) 39.679 18.930 ( -10.098 30.896 19.482) 37.896 20.366 ( 0.801 -22.519 -4.921) 23.064 20.416 ( -4.109 -28.707 2.912) 29.145 20.511 ( 1.159 -29.823 2.006) 29.913 20.555 ( 1.560 -32.066 0.188) 32.105 25.410 ( -1.627 3.268 1.019) 3.790 25.468 ( -2.265 2.202 -1.478) 3.487 25.566 ( 3.652 4.163 3.862) 6.751 25.653 ( 4.117 2.450 3.705) 6.057 25.822 ( -3.822 6.575 -4.169) 8.673 25.957 ( -4.707 4.307 -6.335) 8.990 25.990 ( 2.267 6.291 2.376) 7.097 26.119 ( -2.764 2.353 1.420) 3.898 26.343 ( -0.122 -0.568 0.596) 0.832 26.351 ( 0.780 -0.590 -0.631) 1.164 26.522 ( 4.617 -0.324 -0.405) 4.646 26.583 ( 0.043 -0.538 -0.512) 0.744 26.597 ( 1.884 -0.607 0.064) 1.981 26.682 ( 2.652 -0.916 -1.341) 3.110 26.788 ( -1.036 -2.266 -0.944) 2.664 26.802 ( -1.908 -1.885 -4.057) 4.864 26.911 ( 0.453 0.407 -1.093) 1.251 26.987 ( 0.743 -2.592 -0.082) 2.698 27.080 ( -0.381 -3.322 0.841) 3.448 27.147 ( 0.087 -5.911 1.612) 6.127 27.256 ( 0.964 -1.924 -0.362) 2.182 27.401 ( 1.893 -5.663 1.081) 6.068 27.412 ( -2.099 -5.025 1.175) 5.571 27.499 ( 1.634 -6.420 -1.372) 6.766 29.228 ( -2.415 9.051 0.048) 9.368 29.333 ( -3.424 6.001 -4.970) 8.511 29.475 ( 1.816 6.188 2.085) 6.777 29.656 ( -3.101 8.463 -0.669) 9.038 29.821 ( 3.950 -3.854 0.976) 5.605 29.878 ( 5.295 -8.005 0.675) 9.622 30.098 ( -3.441 -9.910 1.985) 10.676 30.152 ( -1.689 -9.987 1.225) 10.203 ======================= Grid point 102 (47/50) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 2.048 9.173 -1.328) 9.492 2.051 ( -2.048 9.173 1.328) 9.492 2.236 ( -4.609 5.925 -4.607) 8.808 2.236 ( 4.609 5.925 4.607) 8.808 2.460 ( -9.720 0.356 -9.960) 13.922 2.460 ( 9.720 0.356 9.960) 13.922 2.610 ( 11.244 3.859 -7.431) 14.020 2.610 ( -11.244 3.859 7.431) 14.020 2.716 ( 6.930 5.016 -3.797) 9.360 2.716 ( -6.930 5.016 3.797) 9.360 2.847 ( -3.641 -1.195 -4.603) 5.990 2.847 ( 3.641 -1.195 4.603) 5.990 2.976 ( -7.540 -3.622 -3.094) 8.919 2.976 ( 7.540 -3.622 3.094) 8.919 3.197 ( 1.540 -2.758 -7.449) 8.091 3.197 ( -1.540 -2.758 7.449) 8.091 3.313 ( -0.574 -2.478 -1.867) 3.155 3.313 ( 0.574 -2.478 1.867) 3.155 3.417 ( -0.667 -1.717 -2.560) 3.154 3.417 ( 0.667 -1.717 2.560) 3.154 3.597 ( -4.816 -2.594 -3.741) 6.627 3.597 ( 4.816 -2.594 3.741) 6.627 3.640 ( -1.101 -2.369 -2.251) 3.448 3.640 ( 1.101 -2.369 2.251) 3.448 3.739 ( 1.891 -1.032 -2.002) 2.941 3.739 ( -1.891 -1.032 2.002) 2.941 3.901 ( -0.371 0.867 -2.139) 2.337 3.901 ( 0.371 0.867 2.139) 2.337 3.989 ( -7.698 -5.440 -2.895) 9.861 3.989 ( 7.698 -5.440 2.895) 9.861 4.145 ( 2.746 1.505 -2.697) 4.133 4.145 ( -2.746 1.505 2.697) 4.133 4.182 ( 0.294 -1.996 -8.720) 8.951 4.182 ( -0.294 -1.996 8.720) 8.951 4.307 ( 0.574 5.585 -4.975) 7.501 4.307 ( -0.574 5.585 4.975) 7.501 4.361 ( -0.137 -0.283 -1.857) 1.883 4.361 ( 0.137 -0.283 1.857) 1.883 4.479 ( -1.499 -0.703 -2.424) 2.936 4.479 ( 1.499 -0.703 2.424) 2.936 4.555 ( 0.160 -1.018 -3.417) 3.569 4.555 ( -0.160 -1.018 3.417) 3.569 4.647 ( -0.277 2.086 -1.729) 2.723 4.647 ( 0.277 2.086 1.729) 2.723 4.790 ( -4.906 7.063 -1.897) 8.807 4.790 ( 4.906 7.063 1.897) 8.807 4.913 ( 5.620 -0.693 -5.005) 7.557 4.913 ( -5.620 -0.693 5.005) 7.557 5.043 ( 3.926 3.781 -5.510) 7.750 5.043 ( -3.926 3.781 5.510) 7.750 5.087 ( 0.985 1.778 -6.102) 6.432 5.087 ( -0.985 1.778 6.102) 6.432 5.152 ( 0.853 7.556 -3.918) 8.554 5.152 ( -0.853 7.556 3.918) 8.554 5.227 ( -4.444 4.280 -6.334) 8.843 5.227 ( 4.444 4.281 6.334) 8.843 5.284 ( -5.538 4.798 -2.379) 7.704 5.284 ( 5.538 4.798 2.379) 7.704 5.411 ( -1.108 -0.330 -7.216) 7.308 5.411 ( 1.108 -0.330 7.216) 7.308 5.463 ( -0.446 4.475 -4.871) 6.629 5.463 ( 0.446 4.475 4.871) 6.629 5.693 ( -2.893 -1.082 -2.995) 4.303 5.693 ( 2.893 -1.082 2.995) 4.303 5.755 ( -2.745 4.728 -0.626) 5.503 5.755 ( 2.745 4.728 0.626) 5.503 5.847 ( -1.318 -2.022 -4.060) 4.723 5.847 ( 1.318 -2.022 4.060) 4.723 5.928 ( -0.121 8.988 -1.634) 9.136 5.928 ( 0.121 8.988 1.634) 9.136 6.019 ( -0.068 2.482 -3.858) 4.588 6.019 ( 0.068 2.482 3.858) 4.588 6.147 ( -0.263 -2.504 -3.720) 4.492 6.147 ( 0.263 -2.504 3.720) 4.492 6.200 ( -2.999 -1.677 -4.718) 5.837 6.200 ( 2.999 -1.677 4.718) 5.837 6.342 ( -0.177 1.061 -4.067) 4.207 6.342 ( 0.177 1.061 4.067) 4.207 6.368 ( -1.038 6.178 -1.363) 6.411 6.368 ( 1.038 6.178 1.363) 6.411 6.472 ( -4.095 0.309 -1.102) 4.252 6.472 ( 4.095 0.309 1.102) 4.252 6.590 ( 1.088 -1.609 -1.964) 2.762 6.590 ( -1.088 -1.609 1.964) 2.762 6.722 ( 2.186 9.254 -3.910) 10.282 6.722 ( -2.186 9.254 3.910) 10.282 6.770 ( 2.041 3.917 -4.329) 6.185 6.770 ( -2.041 3.917 4.329) 6.185 6.895 ( -0.251 4.751 -0.547) 4.789 6.895 ( 0.251 4.751 0.547) 4.789 6.970 ( -3.202 0.140 -1.947) 3.750 6.970 ( 3.202 0.140 1.947) 3.750 7.078 ( -9.738 1.059 -3.054) 10.261 7.078 ( 9.738 1.059 3.054) 10.261 7.235 ( -1.561 1.376 -3.472) 4.048 7.235 ( 1.561 1.376 3.472) 4.048 7.423 ( -1.690 5.283 -4.578) 7.192 7.423 ( 1.690 5.283 4.578) 7.192 7.585 ( -2.004 -3.029 -4.130) 5.500 7.585 ( 2.004 -3.029 4.130) 5.500 7.709 ( -5.293 0.638 0.019) 5.331 7.709 ( 5.293 0.638 -0.019) 5.331 7.816 ( -1.561 -1.173 -3.724) 4.205 7.816 ( 1.561 -1.173 3.724) 4.205 7.889 ( 0.550 -4.976 -6.967) 8.579 7.889 ( -0.550 -4.976 6.967) 8.579 8.031 ( -3.694 3.370 -5.490) 7.426 8.031 ( 3.694 3.370 5.490) 7.426 8.165 ( -3.462 7.780 -3.729) 9.296 8.165 ( 3.462 7.780 3.729) 9.296 8.255 ( -0.434 3.023 -3.752) 4.838 8.255 ( 0.434 3.023 3.752) 4.838 8.661 ( -3.369 -8.083 0.764) 8.790 8.661 ( 3.369 -8.083 -0.764) 8.790 8.842 ( 0.376 -4.767 -2.803) 5.543 8.842 ( -0.376 -4.767 2.803) 5.543 9.069 ( -1.184 -1.374 -2.448) 3.047 9.069 ( 1.184 -1.374 2.448) 3.047 9.125 ( 1.230 -2.803 -6.126) 6.848 9.125 ( -1.230 -2.803 6.126) 6.848 9.300 ( -4.929 -3.850 -4.654) 7.796 9.300 ( 4.929 -3.850 4.654) 7.796 9.415 ( -0.246 -4.863 -3.678) 6.102 9.415 ( 0.246 -4.863 3.678) 6.102 9.517 ( -1.375 -2.137 0.088) 2.543 9.517 ( 1.375 -2.137 -0.088) 2.543 9.742 ( -1.972 -4.426 -2.293) 5.361 9.742 ( 1.972 -4.426 2.293) 5.361 9.934 ( -1.641 -0.981 -0.834) 2.085 9.934 ( 1.641 -0.981 0.834) 2.085 10.139 ( -3.802 -0.639 -9.988) 10.706 10.139 ( 3.802 -0.639 9.988) 10.706 10.314 ( 2.639 -4.899 -2.433) 6.073 10.314 ( -2.639 -4.899 2.433) 6.073 10.495 ( -1.085 -7.257 -7.528) 10.512 10.495 ( 1.085 -7.257 7.528) 10.512 10.863 ( -4.303 -0.453 -2.846) 5.179 10.863 ( 4.303 -0.453 2.846) 5.179 10.974 ( -2.645 1.041 -2.327) 3.673 10.974 ( 2.645 1.041 2.327) 3.673 11.171 ( -4.186 0.499 -2.776) 5.047 11.171 ( 4.186 0.499 2.776) 5.047 11.329 ( -2.122 -2.765 -3.688) 5.074 11.329 ( 2.122 -2.765 3.688) 5.074 11.639 ( 2.028 -0.268 -3.337) 3.914 11.639 ( -2.028 -0.268 3.337) 3.914 11.728 ( 1.719 1.838 -4.338) 5.015 11.728 ( -1.719 1.838 4.338) 5.015 12.074 ( 2.301 -5.856 -3.927) 7.417 12.074 ( -2.301 -5.856 3.927) 7.417 12.211 ( 3.218 -1.441 -6.361) 7.273 12.211 ( -3.218 -1.441 6.361) 7.273 14.673 ( -1.858 2.331 -0.683) 3.059 14.673 ( 1.858 2.331 0.683) 3.059 14.801 ( -4.153 4.303 -2.032) 6.316 14.801 ( 4.153 4.303 2.032) 6.316 15.060 ( -3.493 -0.038 -0.670) 3.556 15.060 ( 3.493 -0.038 0.670) 3.556 15.146 ( -1.909 6.188 -4.450) 7.857 15.146 ( 1.909 6.188 4.450) 7.857 15.292 ( -3.976 2.307 -3.329) 5.675 15.292 ( 3.976 2.307 3.329) 5.675 15.406 ( 1.096 3.079 -2.422) 4.068 15.406 ( -1.096 3.079 2.422) 4.068 15.561 ( -3.984 -0.828 -1.072) 4.208 15.561 ( 3.984 -0.828 1.072) 4.208 15.642 ( -0.227 -0.841 -2.479) 2.627 15.642 ( 0.227 -0.841 2.479) 2.627 15.875 ( -2.776 3.305 -3.590) 5.614 15.875 ( 2.776 3.305 3.590) 5.614 16.042 ( -3.218 -2.059 -4.506) 5.908 16.042 ( 3.218 -2.059 4.506) 5.908 16.231 ( 1.706 -1.127 -1.900) 2.792 16.231 ( -1.706 -1.127 1.900) 2.792 16.338 ( 0.220 -1.736 -4.392) 4.728 16.338 ( -0.220 -1.736 4.392) 4.728 18.298 ( -4.461 41.372 -6.829) 42.169 18.298 ( 4.461 41.372 6.829) 42.169 18.819 ( 17.415 33.337 -9.997) 38.918 18.819 ( -17.415 33.337 9.997) 38.918 20.365 ( 4.045 -25.135 -3.872) 25.751 20.365 ( -4.045 -25.135 3.872) 25.751 20.556 ( 1.274 -31.363 -3.703) 31.606 20.556 ( -1.274 -31.363 3.703) 31.606 25.419 ( -0.254 2.887 -2.655) 3.930 25.419 ( 0.254 2.887 2.655) 3.930 25.686 ( -3.341 5.049 -5.299) 8.046 25.686 ( 3.341 5.049 5.299) 8.046 25.802 ( -4.695 3.342 -5.828) 8.197 25.802 ( 4.695 3.342 5.828) 8.197 26.058 ( 0.126 4.493 -4.041) 6.044 26.058 ( -0.126 4.493 4.041) 6.044 26.352 ( -0.061 -0.865 -0.736) 1.137 26.352 ( 0.061 -0.865 0.736) 1.137 26.588 ( 0.774 0.748 -0.904) 1.406 26.588 ( -0.774 0.748 0.904) 1.406 26.640 ( -3.895 -2.724 -1.393) 4.953 26.640 ( 3.895 -2.724 1.393) 4.953 26.762 ( 1.146 -1.115 -2.777) 3.205 26.762 ( -1.146 -1.115 2.777) 3.205 26.959 ( -2.649 -0.848 -1.183) 3.023 26.959 ( 2.649 -0.848 1.183) 3.023 27.112 ( -0.705 -4.826 -3.936) 6.267 27.112 ( 0.705 -4.826 3.936) 6.267 27.326 ( -3.600 -3.136 -2.377) 5.333 27.326 ( 3.600 -3.136 2.377) 5.333 27.481 ( -1.263 -6.463 -2.884) 7.189 27.481 ( 1.263 -6.463 2.884) 7.189 29.237 ( -1.697 7.415 -2.737) 8.084 29.237 ( 1.697 7.415 2.737) 8.084 29.561 ( -3.487 7.022 -2.142) 8.127 29.561 ( 3.487 7.022 2.142) 8.127 29.899 ( -0.821 -5.474 -4.207) 6.952 29.899 ( 0.821 -5.474 4.207) 6.952 30.110 ( -0.273 -9.841 -3.897) 10.588 30.110 ( 0.273 -9.841 3.897) 10.588 ======================= Grid point 105 (48/50) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -0.642 5.859 -4.388) 7.348 1.993 ( 0.642 5.859 4.388) 7.348 2.185 ( 0.201 -6.915 -5.224) 8.669 2.185 ( -0.201 -6.915 5.224) 8.669 2.578 ( -6.017 4.813 -2.914) 8.238 2.578 ( 6.017 4.813 2.914) 8.238 2.635 ( 6.409 3.882 -7.058) 10.294 2.635 ( -6.409 3.882 7.058) 10.294 2.730 ( -2.904 4.154 -0.129) 5.070 2.730 ( 2.904 4.154 0.129) 5.070 2.891 ( 4.835 -7.187 -9.986) 13.219 2.891 ( -4.835 -7.187 9.986) 13.219 3.017 ( 2.277 4.693 -1.413) 5.405 3.017 ( -2.277 4.693 1.413) 5.405 3.206 ( 3.433 -6.175 -6.661) 9.710 3.206 ( -3.433 -6.175 6.661) 9.710 3.314 ( -0.589 2.465 -6.084) 6.590 3.314 ( 0.589 2.465 6.084) 6.591 3.393 ( 2.043 -1.878 -6.751) 7.299 3.393 ( -2.043 -1.878 6.751) 7.299 3.515 ( -0.228 -0.674 -2.517) 2.616 3.515 ( 0.228 -0.674 2.517) 2.616 3.606 ( -3.242 2.253 -3.275) 5.130 3.606 ( 3.242 2.253 3.275) 5.130 3.747 ( -2.648 -0.517 -2.467) 3.656 3.747 ( 2.648 -0.517 2.467) 3.656 3.807 ( 0.593 -4.815 -1.349) 5.036 3.807 ( -0.593 -4.815 1.349) 5.036 3.994 ( -0.020 -1.231 -2.758) 3.020 3.994 ( 0.020 -1.231 2.758) 3.020 4.103 ( -1.070 -3.129 -0.672) 3.375 4.103 ( 1.070 -3.129 0.672) 3.375 4.204 ( -3.936 2.510 -2.440) 5.267 4.204 ( 3.936 2.510 2.440) 5.267 4.276 ( -4.842 -1.620 0.404) 5.122 4.276 ( 4.842 -1.620 -0.404) 5.122 4.349 ( -2.662 -2.647 -2.545) 4.535 4.349 ( 2.662 -2.647 2.545) 4.535 4.461 ( 0.058 1.153 -2.256) 2.534 4.461 ( -0.058 1.153 2.256) 2.534 4.676 ( -4.092 2.103 -1.197) 4.754 4.676 ( 4.092 2.103 1.197) 4.754 4.723 ( -3.998 -0.284 -4.143) 5.764 4.723 ( 3.998 -0.284 4.143) 5.764 4.790 ( -2.395 -0.497 -5.308) 5.845 4.790 ( 2.395 -0.497 5.308) 5.845 4.843 ( -0.590 -2.950 -1.288) 3.272 4.843 ( 0.590 -2.950 1.288) 3.272 5.020 ( 0.372 1.932 -1.905) 2.739 5.020 ( -0.372 1.932 1.905) 2.739 5.077 ( 0.176 -0.349 -7.245) 7.255 5.077 ( -0.176 -0.349 7.245) 7.255 5.218 ( 0.271 3.853 -3.432) 5.167 5.218 ( -0.271 3.853 3.432) 5.167 5.247 ( 0.548 1.359 -2.003) 2.482 5.247 ( -0.548 1.359 2.003) 2.482 5.352 ( -4.596 6.998 -1.591) 8.522 5.352 ( 4.596 6.998 1.591) 8.522 5.545 ( -3.725 -1.548 -1.037) 4.165 5.545 ( 3.725 -1.548 1.037) 4.165 5.654 ( -1.960 1.472 -3.838) 4.554 5.654 ( 1.960 1.472 3.838) 4.554 5.724 ( -0.087 -0.456 -5.076) 5.097 5.724 ( 0.087 -0.456 5.076) 5.097 5.811 ( -0.966 5.426 -0.359) 5.523 5.811 ( 0.966 5.426 0.359) 5.523 5.876 ( -1.035 1.933 -4.173) 4.714 5.876 ( 1.035 1.933 4.173) 4.714 6.008 ( 1.600 -0.435 -1.759) 2.417 6.008 ( -1.600 -0.435 1.759) 2.417 6.018 ( -4.577 0.119 -1.662) 4.871 6.018 ( 4.577 0.119 1.662) 4.871 6.074 ( 2.584 -1.011 -1.771) 3.291 6.074 ( -2.584 -1.011 1.771) 3.291 6.224 ( 2.200 -4.341 -3.521) 6.006 6.224 ( -2.200 -4.341 3.521) 6.006 6.364 ( -4.772 5.351 0.817) 7.216 6.364 ( 4.772 5.351 -0.817) 7.216 6.421 ( -3.185 -0.132 -2.337) 3.953 6.421 ( 3.185 -0.132 2.337) 3.953 6.506 ( 0.770 2.279 -2.865) 3.741 6.506 ( -0.770 2.279 2.865) 3.741 6.648 ( -1.768 -2.313 -2.375) 3.758 6.648 ( 1.768 -2.313 2.375) 3.758 6.811 ( -4.042 4.140 -2.069) 6.145 6.811 ( 4.042 4.140 2.069) 6.145 6.873 ( -1.452 4.010 -2.836) 5.122 6.873 ( 1.452 4.010 2.836) 5.122 6.924 ( -2.806 1.750 -1.979) 3.854 6.924 ( 2.806 1.750 1.979) 3.854 7.026 ( 0.923 0.094 -4.020) 4.126 7.026 ( -0.923 0.094 4.020) 4.126 7.113 ( -0.859 7.353 -3.818) 8.329 7.113 ( 0.859 7.353 3.818) 8.329 7.223 ( 5.853 -3.652 -3.512) 7.742 7.223 ( -5.853 -3.652 3.512) 7.742 7.386 ( -5.937 1.553 -5.246) 8.074 7.386 ( 5.937 1.553 5.246) 8.074 7.497 ( 1.376 -3.113 -5.281) 6.283 7.497 ( -1.376 -3.113 5.281) 6.283 7.741 ( 1.924 4.041 -3.745) 5.836 7.741 ( -1.924 4.041 3.745) 5.836 7.847 ( 3.637 -0.485 -2.704) 4.558 7.847 ( -3.637 -0.485 2.704) 4.558 7.993 ( -1.477 -0.569 -2.255) 2.755 7.993 ( 1.477 -0.569 2.255) 2.755 8.064 ( -3.111 0.380 0.650) 3.201 8.064 ( 3.111 0.380 -0.650) 3.201 8.158 ( 2.311 5.505 -1.109) 6.073 8.158 ( -2.311 5.505 1.109) 6.073 8.381 ( 1.520 -2.786 -4.980) 5.905 8.381 ( -1.520 -2.786 4.980) 5.905 8.596 ( 0.312 5.039 -2.294) 5.546 8.596 ( -0.312 5.039 2.294) 5.546 8.786 ( 1.462 2.225 -3.371) 4.296 8.786 ( -1.462 2.225 3.371) 4.296 8.852 ( -0.711 -9.997 -4.159) 10.851 8.852 ( 0.711 -9.997 4.159) 10.851 9.030 ( 1.249 -13.062 -4.120) 13.753 9.030 ( -1.249 -13.062 4.120) 13.753 9.264 ( -0.866 -1.368 -0.261) 1.640 9.264 ( 0.866 -1.368 0.261) 1.640 9.337 ( -2.488 0.434 -2.243) 3.378 9.337 ( 2.488 0.434 2.243) 3.378 9.534 ( -1.305 -1.387 -1.098) 2.199 9.534 ( 1.305 -1.387 1.098) 2.199 9.708 ( -2.059 -1.390 -1.873) 3.110 9.708 ( 2.059 -1.390 1.873) 3.110 9.840 ( -4.423 0.337 -2.090) 4.904 9.840 ( 4.423 0.337 2.090) 4.904 9.987 ( -1.413 -4.111 -4.412) 6.193 9.987 ( 1.413 -4.111 4.412) 6.193 10.253 ( -0.908 2.888 -0.273) 3.040 10.253 ( 0.908 2.888 0.273) 3.040 10.501 ( 2.110 -2.870 -1.049) 3.713 10.501 ( -2.110 -2.870 1.049) 3.713 10.945 ( -1.656 3.959 -3.513) 5.546 10.945 ( 1.656 3.959 3.513) 5.546 10.997 ( -0.982 -0.282 -3.276) 3.432 10.997 ( 0.982 -0.282 3.276) 3.432 11.152 ( -3.422 -1.391 -1.498) 3.986 11.152 ( 3.422 -1.391 1.498) 3.986 11.291 ( 2.022 -2.180 -1.241) 3.222 11.291 ( -2.022 -2.180 1.241) 3.222 11.638 ( 1.210 3.879 -1.319) 4.272 11.638 ( -1.210 3.879 1.319) 4.272 11.811 ( -2.814 -2.300 -2.757) 4.562 11.811 ( 2.814 -2.300 2.757) 4.562 11.991 ( -3.216 3.102 -5.664) 7.214 11.991 ( 3.216 3.102 5.664) 7.214 12.146 ( 0.608 -4.289 -6.891) 8.140 12.146 ( -0.608 -4.289 6.891) 8.140 14.787 ( -2.038 4.667 -2.715) 5.771 14.787 ( 2.038 4.667 2.715) 5.771 14.828 ( -3.207 1.015 -1.339) 3.620 14.828 ( 3.207 1.015 1.339) 3.620 15.008 ( 0.249 0.211 -1.297) 1.337 15.008 ( -0.249 0.211 1.297) 1.337 15.148 ( -2.805 -1.513 -2.511) 4.057 15.148 ( 2.805 -1.513 2.511) 4.057 15.431 ( -1.450 2.825 -0.805) 3.276 15.431 ( 1.450 2.825 0.805) 3.276 15.508 ( -0.433 0.526 -2.777) 2.860 15.508 ( 0.433 0.526 2.777) 2.860 15.567 ( -2.771 -0.868 0.457) 2.939 15.567 ( 2.771 -0.868 -0.457) 2.939 15.646 ( -1.392 3.193 -0.581) 3.532 15.646 ( 1.392 3.193 0.581) 3.532 15.791 ( -1.740 -0.200 -1.841) 2.541 15.791 ( 1.740 -0.200 1.841) 2.541 16.078 ( -3.396 -2.710 -0.414) 4.365 16.078 ( 3.396 -2.710 0.414) 4.365 16.211 ( -1.076 2.100 -0.478) 2.407 16.211 ( 1.076 2.100 0.478) 2.407 16.285 ( 2.946 -3.080 -2.752) 5.074 16.285 ( -2.946 -3.080 2.752) 5.074 19.104 ( -5.581 36.046 -1.185) 36.495 19.104 ( 5.581 36.046 1.185) 36.495 19.418 ( -0.235 27.119 -10.831) 29.203 19.418 ( 0.235 27.119 10.831) 29.203 19.811 ( -1.087 -31.327 -1.472) 31.380 19.811 ( 1.087 -31.327 1.472) 31.380 19.969 ( -0.315 -25.105 -2.861) 25.270 19.969 ( 0.315 -25.105 2.861) 25.270 25.502 ( -1.145 1.195 -1.122) 2.000 25.502 ( 1.145 1.195 1.122) 2.000 25.591 ( -0.800 0.761 -1.896) 2.194 25.591 ( 0.800 0.761 1.896) 2.194 26.038 ( -1.483 4.623 -4.156) 6.391 26.038 ( 1.483 4.623 4.156) 6.391 26.101 ( -0.584 -1.279 -5.076) 5.267 26.101 ( 0.584 -1.279 5.076) 5.267 26.355 ( 0.441 0.386 -0.644) 0.871 26.355 ( -0.441 0.386 0.644) 0.871 26.501 ( -1.119 -0.619 -0.893) 1.560 26.501 ( 1.119 -0.619 0.893) 1.560 26.633 ( -1.851 0.733 -0.089) 1.993 26.633 ( 1.851 0.733 0.089) 1.993 26.763 ( 0.087 -2.885 -0.919) 3.029 26.763 ( -0.087 -2.885 0.919) 3.029 26.937 ( -0.344 -0.198 -1.008) 1.083 26.937 ( 0.344 -0.198 1.008) 1.083 27.042 ( 0.410 -1.276 -1.710) 2.173 27.042 ( -0.410 -1.276 1.710) 2.173 27.254 ( -1.069 -1.320 -1.323) 2.153 27.254 ( 1.069 -1.320 1.323) 2.153 27.371 ( 0.181 -2.754 -0.563) 2.817 27.371 ( -0.181 -2.754 0.563) 2.817 29.452 ( -4.741 4.685 -2.209) 7.022 29.452 ( 4.741 4.685 2.209) 7.022 29.544 ( -6.198 -3.286 -3.660) 7.912 29.544 ( 6.198 -3.286 3.660) 7.912 29.832 ( -1.246 2.706 -1.718) 3.439 29.832 ( 1.246 2.706 1.718) 3.439 29.997 ( -0.354 -4.031 -1.704) 4.391 29.997 ( 0.354 -4.031 1.704) 4.391 ======================= Grid point 107 (49/50) ======================= q-point: ( 0.25 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 8.498 9.312 8.213) 15.046 2.107 ( 2.875 3.766 6.245) 7.839 2.206 ( 1.836 -6.010 2.455) 6.747 2.272 ( 0.811 -3.702 10.512) 11.174 2.385 ( -6.734 1.804 -0.347) 6.980 2.491 ( -4.881 -4.979 -6.592) 9.595 2.648 ( -2.966 4.888 3.916) 6.930 2.683 ( 1.791 2.777 -0.819) 3.405 2.756 ( 3.087 3.772 -3.340) 5.909 2.819 ( 2.447 2.418 -1.763) 3.865 2.895 ( -2.127 6.364 2.635) 7.209 2.944 ( 9.547 -4.202 -4.179) 11.237 2.972 ( -1.949 -1.595 1.952) 3.186 3.061 ( 1.151 9.507 -0.477) 9.588 3.154 ( -7.002 -6.345 1.416) 9.555 3.188 ( -1.851 1.615 -3.794) 4.519 3.256 ( -5.617 -2.316 -4.408) 7.506 3.302 ( 6.763 -2.553 1.790) 7.447 3.348 ( -4.168 -4.048 0.481) 5.830 3.375 ( -2.282 -1.597 5.607) 6.261 3.478 ( -3.903 3.959 -0.870) 5.627 3.518 ( 0.719 2.060 1.823) 2.843 3.613 ( 1.607 -3.309 0.389) 3.699 3.639 ( -1.537 -9.220 -2.630) 9.710 3.725 ( -0.749 -0.616 -2.416) 2.603 3.762 ( 3.870 -2.028 -0.694) 4.423 3.826 ( -3.233 0.443 6.494) 7.268 3.850 ( 2.162 -0.624 4.623) 5.141 3.895 ( -6.393 2.153 -4.163) 7.927 4.023 ( -2.829 -6.335 -0.777) 6.981 4.100 ( -0.140 -1.862 2.807) 3.371 4.127 ( 1.281 -2.423 1.614) 3.181 4.162 ( 3.888 -0.811 0.068) 3.972 4.192 ( 0.182 -2.039 -1.377) 2.467 4.210 ( -3.212 4.076 1.153) 5.316 4.293 ( -0.339 -3.592 0.389) 3.629 4.405 ( 0.100 3.084 -3.852) 4.936 4.423 ( -1.125 0.179 -1.730) 2.071 4.444 ( 1.817 1.374 4.113) 4.702 4.512 ( -0.569 -3.564 0.504) 3.645 4.588 ( 1.054 3.650 -0.622) 3.850 4.638 ( -4.162 -0.106 -5.197) 6.658 4.655 ( 1.539 -0.502 -3.905) 4.228 4.699 ( -2.291 -4.192 -2.556) 5.418 4.825 ( 4.120 3.622 4.194) 6.905 4.832 ( -0.155 1.167 -0.713) 1.376 4.896 ( 1.336 -0.198 3.079) 3.363 4.938 ( 4.359 -2.030 4.753) 6.761 4.963 ( 0.514 0.440 -0.534) 0.862 4.980 ( -0.258 -0.380 1.298) 1.376 5.125 ( 4.756 2.999 2.341) 6.091 5.148 ( -0.759 3.478 6.116) 7.076 5.175 ( -0.913 4.242 -4.167) 6.016 5.207 ( 2.078 -0.329 -1.959) 2.874 5.234 ( 0.485 2.813 -1.326) 3.147 5.285 ( -0.335 0.277 -2.713) 2.748 5.316 ( 6.449 3.306 -3.886) 8.224 5.412 ( 3.176 -3.688 -4.333) 6.516 5.462 ( -1.231 6.847 -4.622) 8.353 5.553 ( 1.929 1.159 -6.123) 6.523 5.578 ( -2.326 1.493 -1.084) 2.969 5.668 ( -2.618 -3.595 -6.718) 8.057 5.709 ( -5.006 2.971 1.002) 5.907 5.739 ( -5.529 0.733 -0.555) 5.605 5.808 ( -2.725 3.437 -2.410) 5.005 5.828 ( -7.839 0.176 -0.042) 7.841 5.868 ( 0.360 -0.081 0.980) 1.048 5.875 ( -1.211 0.847 4.999) 5.213 5.954 ( 0.422 0.940 0.760) 1.281 5.985 ( 1.072 -0.023 6.473) 6.561 6.051 ( 0.329 3.976 4.317) 5.878 6.060 ( 2.806 1.160 -0.028) 3.037 6.078 ( 6.912 1.321 -0.748) 7.076 6.134 ( 2.285 -3.239 0.181) 3.968 6.154 ( -1.031 0.465 -4.978) 5.105 6.243 ( 1.062 -4.612 -0.389) 4.748 6.290 ( -1.403 3.550 -1.692) 4.175 6.362 ( -1.563 0.297 -1.357) 2.091 6.399 ( -2.303 2.539 -1.892) 3.915 6.422 ( -1.038 -1.684 -2.753) 3.390 6.485 ( 3.574 0.967 -0.210) 3.708 6.513 ( 1.241 1.269 2.743) 3.267 6.641 ( -0.669 5.488 -2.555) 6.091 6.706 ( 0.446 5.260 -3.535) 6.353 6.758 ( 4.576 0.934 -1.217) 4.826 6.811 ( 2.896 -7.828 -4.406) 9.438 6.826 ( -0.778 5.484 2.160) 5.945 6.869 ( -1.645 3.940 1.050) 4.396 6.920 ( -1.447 4.783 1.320) 5.169 6.983 ( -0.507 1.458 1.761) 2.342 7.034 ( 0.845 7.678 4.496) 8.937 7.096 ( -0.510 1.874 1.509) 2.459 7.148 ( 5.552 5.058 -2.805) 8.017 7.157 ( -0.026 3.511 -0.908) 3.626 7.210 ( -1.852 -0.911 6.398) 6.723 7.266 ( 1.077 2.324 -0.704) 2.656 7.348 ( 3.619 -8.453 -1.533) 9.322 7.472 ( -2.764 -5.880 3.406) 7.336 7.563 ( 0.165 3.606 0.375) 3.629 7.591 ( 3.519 -0.561 4.037) 5.385 7.629 ( 4.023 2.043 5.637) 7.221 7.679 ( -11.548 -3.027 1.845) 12.080 7.786 ( -3.335 2.628 3.661) 5.606 7.824 ( 2.244 -0.231 -7.590) 7.918 7.921 ( 1.057 7.280 -4.756) 8.760 8.004 ( -1.390 5.160 -1.336) 5.509 8.053 ( -1.298 -1.366 2.151) 2.860 8.115 ( 2.634 2.578 -4.615) 5.906 8.164 ( 1.990 -4.188 2.457) 5.248 8.212 ( 4.039 4.684 -2.904) 6.833 8.332 ( -1.434 -3.861 -2.025) 4.590 8.383 ( -2.390 -4.346 -2.311) 5.472 8.571 ( -1.608 5.430 1.243) 5.798 8.588 ( -2.323 8.823 0.428) 9.134 8.778 ( -1.066 3.554 0.861) 3.809 8.802 ( -1.837 2.874 4.269) 5.464 8.845 ( 3.048 -13.521 -0.430) 13.867 8.897 ( -0.573 -11.620 3.291) 12.091 9.005 ( 0.751 -12.345 -3.421) 12.832 9.040 ( -2.243 -11.992 2.457) 12.445 9.189 ( -1.490 -1.093 0.561) 1.931 9.209 ( -2.225 -0.767 1.659) 2.879 9.391 ( 2.681 1.364 -2.948) 4.212 9.439 ( -1.757 -3.291 -2.644) 4.573 9.462 ( 1.664 0.552 -3.902) 4.278 9.506 ( 2.129 -3.354 -3.292) 5.159 9.690 ( -6.039 4.276 2.706) 7.879 9.735 ( -0.969 -0.017 2.993) 3.146 9.816 ( 3.360 -1.574 2.757) 4.623 9.886 ( 2.563 -5.799 -1.083) 6.432 10.018 ( 3.718 1.749 4.110) 5.812 10.089 ( 2.824 -5.478 7.939) 10.051 10.269 ( 1.790 3.970 -1.339) 4.556 10.326 ( 4.126 0.310 1.672) 4.463 10.406 ( -5.217 -0.015 -5.183) 7.355 10.468 ( -1.088 -4.689 -6.382) 7.994 10.869 ( -2.529 4.622 -2.127) 5.682 10.940 ( -3.032 0.187 -0.181) 3.043 11.029 ( -4.685 0.991 -0.703) 4.840 11.049 ( 3.876 0.685 1.990) 4.411 11.093 ( -5.173 -1.817 0.051) 5.483 11.122 ( 4.880 -3.364 7.348) 9.441 11.270 ( -1.020 1.691 -0.255) 1.991 11.325 ( 1.233 -2.496 -3.339) 4.347 11.646 ( -1.106 2.817 2.874) 4.174 11.692 ( -2.018 -1.869 7.090) 7.604 11.740 ( 2.808 5.925 -7.090) 9.657 11.856 ( -1.341 -0.495 -6.381) 6.539 11.895 ( 4.833 0.529 -3.134) 5.784 12.020 ( 1.208 -7.000 -6.612) 9.705 12.151 ( 0.129 2.531 6.612) 7.081 12.206 ( -1.515 -2.503 4.587) 5.441 14.728 ( -0.356 4.124 -2.682) 4.932 14.770 ( -1.453 0.681 -1.909) 2.494 14.837 ( 2.285 5.129 -0.276) 5.621 14.922 ( 5.507 -2.320 -0.045) 5.976 14.972 ( -0.792 2.345 -2.821) 3.752 15.014 ( 2.490 -1.225 -0.368) 2.799 15.177 ( 0.433 4.566 6.804) 8.205 15.265 ( 1.782 -2.608 5.853) 6.651 15.381 ( -4.054 4.964 2.241) 6.790 15.410 ( -5.683 0.742 0.684) 5.772 15.440 ( -7.779 -1.469 -1.170) 8.003 15.457 ( -3.162 -1.591 3.716) 5.132 15.519 ( 0.247 3.159 -1.468) 3.493 15.564 ( -0.952 -2.450 0.029) 2.628 15.633 ( 0.204 2.495 0.828) 2.637 15.666 ( 0.971 -0.089 -2.370) 2.563 15.823 ( 5.775 3.241 -0.782) 6.668 15.887 ( 5.571 -2.813 0.732) 6.284 16.034 ( -2.423 3.154 0.453) 4.003 16.109 ( -4.060 -2.179 -0.868) 4.689 16.171 ( 1.876 -1.405 0.777) 2.469 16.208 ( -2.989 -2.984 0.931) 4.324 16.273 ( 2.699 1.247 -2.057) 3.616 16.316 ( 2.455 -2.591 -3.680) 5.126 19.040 ( -0.629 37.445 0.442) 37.453 19.201 ( 1.212 32.880 -4.795) 33.250 19.319 ( 3.942 32.969 -4.184) 33.467 19.481 ( -4.796 21.833 9.477) 24.279 19.786 ( -0.535 -30.097 -0.264) 30.102 19.831 ( -0.748 -29.197 -0.907) 29.221 19.950 ( 1.171 -29.507 -0.233) 29.531 19.993 ( -0.943 -22.775 2.807) 22.967 25.466 ( -1.717 2.125 0.852) 2.862 25.490 ( -1.790 -0.100 -0.276) 1.814 25.637 ( 3.937 2.759 3.756) 6.101 25.672 ( 4.026 -0.535 4.033) 5.724 25.934 ( -4.224 4.391 -5.757) 8.382 25.991 ( -4.437 -0.840 -6.965) 8.301 26.092 ( 1.232 3.595 1.529) 4.096 26.136 ( -0.799 -0.707 1.391) 1.753 26.340 ( -0.568 0.198 0.179) 0.628 26.344 ( -0.017 -0.178 -0.255) 0.312 26.518 ( 3.018 0.363 -0.365) 3.061 26.546 ( 2.289 -2.202 -0.065) 3.177 26.619 ( -0.316 2.433 0.771) 2.571 26.671 ( 1.311 -1.065 -0.747) 1.847 26.726 ( -1.224 -1.856 -1.150) 2.503 26.752 ( 0.056 -2.740 -3.767) 4.659 26.929 ( 1.045 1.273 -0.687) 1.785 26.956 ( 0.853 -1.121 0.144) 1.416 27.037 ( -0.844 -0.771 0.906) 1.459 27.055 ( -0.715 -2.798 1.203) 3.128 27.249 ( 1.566 1.167 0.343) 1.983 27.300 ( 2.219 -3.825 1.473) 4.661 27.349 ( -1.365 -0.857 -0.271) 1.634 27.385 ( 0.715 -4.159 -0.962) 4.328 29.349 ( -2.973 3.477 -1.039) 4.691 29.384 ( -4.169 -0.054 -2.603) 4.915 29.582 ( 4.235 4.706 0.278) 6.337 29.678 ( 2.098 -5.094 -1.091) 5.616 29.802 ( 1.088 3.979 1.950) 4.563 29.853 ( -0.598 -0.283 3.199) 3.267 29.972 ( -1.226 -1.953 0.171) 2.313 30.008 ( -1.357 -4.465 1.243) 4.829 ======================= Grid point 108 (50/50) ======================= q-point: (-0.50 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -1.777 4.460 -3.615) 6.010 2.194 ( 1.777 4.460 3.615) 6.010 2.265 ( -4.875 -2.163 -4.379) 6.901 2.265 ( 4.875 -2.163 4.379) 6.901 2.495 ( -15.174 4.700 -10.096) 18.823 2.495 ( 15.174 4.700 10.096) 18.823 2.595 ( -5.051 -3.509 -8.452) 10.453 2.595 ( 5.051 -3.509 8.452) 10.453 2.760 ( -1.783 0.823 -4.157) 4.597 2.760 ( 1.783 0.823 4.156) 4.597 2.931 ( -5.021 3.311 -0.836) 6.072 2.931 ( 5.021 3.311 0.836) 6.072 3.010 ( 1.477 1.786 -4.087) 4.698 3.010 ( -1.477 1.786 4.087) 4.698 3.160 ( -0.444 1.908 -2.076) 2.854 3.160 ( 0.444 1.908 2.076) 2.854 3.244 ( -4.310 -2.815 -3.492) 6.221 3.244 ( 4.310 -2.815 3.492) 6.221 3.390 ( -1.330 2.533 -1.468) 3.216 3.390 ( 1.330 2.533 1.468) 3.216 3.489 ( -4.057 -4.837 -5.044) 8.081 3.489 ( 4.057 -4.837 5.044) 8.081 3.629 ( -1.702 -1.655 -2.245) 3.267 3.629 ( 1.702 -1.655 2.245) 3.267 3.750 ( -4.157 -3.134 -3.170) 6.095 3.750 ( 4.157 -3.134 3.170) 6.095 3.779 ( -1.836 -4.042 -1.466) 4.676 3.779 ( 1.837 -4.042 1.466) 4.676 3.954 ( 0.236 -0.280 -5.978) 5.990 3.954 ( -0.236 -0.280 5.978) 5.990 4.135 ( 0.451 -0.111 -3.166) 3.200 4.135 ( -0.451 -0.111 3.166) 3.200 4.176 ( -0.316 -0.752 -0.802) 1.144 4.176 ( 0.316 -0.752 0.802) 1.144 4.275 ( -1.861 -1.612 -2.708) 3.660 4.275 ( 1.861 -1.612 2.708) 3.660 4.376 ( -0.800 0.263 -1.630) 1.835 4.376 ( 0.800 0.263 1.630) 1.835 4.480 ( -0.969 -0.238 -0.466) 1.101 4.480 ( 0.969 -0.238 0.466) 1.101 4.560 ( 0.173 0.155 -1.800) 1.815 4.560 ( -0.173 0.155 1.800) 1.815 4.678 ( -0.686 0.740 -0.024) 1.009 4.678 ( 0.686 0.740 0.024) 1.009 4.888 ( -1.574 1.173 -2.777) 3.401 4.888 ( 1.574 1.173 2.777) 3.401 4.932 ( -0.252 4.035 -0.471) 4.070 4.932 ( 0.252 4.035 0.471) 4.070 5.030 ( -3.395 -2.618 -6.309) 7.628 5.030 ( 3.395 -2.618 6.309) 7.628 5.129 ( -4.312 -1.191 -1.911) 4.864 5.129 ( 4.312 -1.191 1.911) 4.864 5.216 ( -1.563 3.728 -1.450) 4.294 5.216 ( 1.563 3.728 1.450) 4.294 5.283 ( 0.871 0.673 -6.659) 6.749 5.283 ( -0.871 0.673 6.659) 6.749 5.404 ( 1.779 5.348 -4.334) 7.110 5.404 ( -1.779 5.348 4.334) 7.110 5.476 ( 3.246 5.591 -2.572) 6.957 5.476 ( -3.246 5.591 2.572) 6.957 5.531 ( 0.646 -0.441 -6.658) 6.704 5.531 ( -0.646 -0.441 6.658) 6.704 5.617 ( 1.916 -5.382 -3.897) 6.916 5.617 ( -1.916 -5.382 3.897) 6.916 5.779 ( -1.277 -1.470 -0.724) 2.077 5.779 ( 1.277 -1.470 0.724) 2.077 5.834 ( 0.798 0.440 -1.482) 1.739 5.834 ( -0.798 0.440 1.482) 1.739 6.015 ( -0.797 2.257 -2.737) 3.636 6.015 ( 0.797 2.257 2.737) 3.636 6.081 ( -1.229 0.822 -0.966) 1.766 6.081 ( 1.229 0.822 0.966) 1.766 6.164 ( 0.219 1.630 -3.294) 3.681 6.164 ( -0.219 1.630 3.294) 3.681 6.236 ( -2.280 5.407 -2.772) 6.490 6.236 ( 2.280 5.407 2.772) 6.490 6.274 ( 0.310 -5.283 -3.297) 6.235 6.274 ( -0.310 -5.283 3.297) 6.235 6.384 ( -2.101 0.073 -0.154) 2.107 6.384 ( 2.101 0.073 0.154) 2.108 6.561 ( -1.264 2.068 -3.462) 4.227 6.561 ( 1.264 2.068 3.462) 4.227 6.616 ( -4.696 3.026 -3.651) 6.674 6.616 ( 4.696 3.026 3.651) 6.674 6.834 ( -0.678 3.146 -2.855) 4.302 6.834 ( 0.678 3.146 2.855) 4.302 6.888 ( -1.119 2.434 -2.477) 3.649 6.888 ( 1.119 2.434 2.477) 3.649 6.939 ( -6.831 2.447 -0.559) 7.277 6.939 ( 6.831 2.447 0.559) 7.277 7.050 ( -4.857 0.431 -2.151) 5.329 7.050 ( 4.857 0.431 2.151) 5.329 7.146 ( 5.764 8.103 -3.486) 10.537 7.146 ( -5.764 8.103 3.486) 10.537 7.252 ( 1.963 2.795 -2.399) 4.174 7.252 ( -1.963 2.795 2.399) 4.174 7.408 ( 1.440 -5.657 -2.535) 6.364 7.408 ( -1.440 -5.657 2.535) 6.364 7.540 ( 0.471 -7.576 -3.506) 8.361 7.540 ( -0.471 -7.576 3.506) 8.361 7.746 ( -0.672 6.468 -3.456) 7.364 7.746 ( 0.672 6.468 3.456) 7.364 7.834 ( -1.096 3.023 -4.180) 5.274 7.834 ( 1.096 3.023 4.180) 5.274 7.890 ( -4.671 2.181 -3.190) 6.062 7.890 ( 4.671 2.181 3.190) 6.062 8.080 ( -0.926 4.111 -4.419) 6.106 8.080 ( 0.926 4.111 4.419) 6.106 8.253 ( -2.724 -6.036 -4.538) 8.028 8.253 ( 2.724 -6.036 4.538) 8.028 8.286 ( -3.351 -2.820 -2.192) 4.897 8.286 ( 3.351 -2.820 2.192) 4.897 8.561 ( 0.013 8.833 -0.631) 8.856 8.561 ( -0.013 8.833 0.631) 8.856 8.789 ( 0.663 3.373 -2.013) 3.983 8.789 ( -0.663 3.373 2.013) 3.983 8.896 ( 2.153 -15.099 -3.399) 15.626 8.896 ( -2.153 -15.099 3.399) 15.626 9.003 ( 2.505 -8.047 -3.684) 9.198 9.003 ( -2.505 -8.047 3.684) 9.198 9.223 ( -0.001 -2.203 -1.361) 2.590 9.223 ( 0.001 -2.203 1.361) 2.590 9.347 ( -0.264 -2.650 -0.842) 2.793 9.347 ( 0.264 -2.650 0.842) 2.793 9.497 ( -1.742 0.595 -0.262) 1.859 9.497 ( 1.742 0.595 0.262) 1.859 9.702 ( -1.081 0.037 -2.556) 2.776 9.702 ( 1.081 0.037 2.556) 2.776 9.888 ( -1.012 -2.541 -1.848) 3.301 9.888 ( 1.012 -2.541 1.848) 3.301 10.175 ( -4.962 3.774 -9.068) 11.004 10.175 ( 4.962 3.774 9.068) 11.004 10.255 ( -3.874 -3.165 -7.865) 9.321 10.255 ( 3.874 -3.165 7.865) 9.321 10.394 ( -1.162 -2.310 -2.889) 3.878 10.394 ( 1.162 -2.310 2.889) 3.878 10.854 ( -1.208 -0.355 -1.794) 2.192 10.854 ( 1.208 -0.355 1.794) 2.192 11.014 ( -1.152 1.862 -0.844) 2.346 11.014 ( 1.152 1.862 0.844) 2.346 11.189 ( -4.283 1.715 -3.633) 5.872 11.189 ( 4.283 1.715 3.633) 5.872 11.272 ( -1.951 -3.009 -6.034) 7.019 11.272 ( 1.951 -3.009 6.034) 7.019 11.662 ( 1.774 1.659 -5.052) 5.605 11.662 ( -1.774 1.659 5.052) 5.605 11.778 ( -1.148 1.958 -4.335) 4.893 11.778 ( 1.148 1.958 4.335) 4.893 11.973 ( 2.944 -3.377 -3.732) 5.831 11.973 ( -2.944 -3.377 3.732) 5.831 12.195 ( 0.304 -0.391 -1.722) 1.791 12.195 ( -0.304 -0.391 1.722) 1.791 14.729 ( -1.334 2.161 -0.524) 2.593 14.729 ( 1.334 2.161 0.524) 2.593 14.900 ( -3.805 4.436 -1.430) 6.017 14.900 ( 3.805 4.436 1.430) 6.017 15.023 ( -3.152 -2.862 -0.229) 4.264 15.023 ( 3.152 -2.862 0.229) 4.264 15.263 ( -3.855 4.898 -2.192) 6.607 15.263 ( 3.855 4.898 2.192) 6.607 15.319 ( -1.047 0.477 -2.011) 2.317 15.319 ( 1.047 0.477 2.011) 2.317 15.420 ( -1.819 -2.315 -1.041) 3.123 15.420 ( 1.819 -2.315 1.041) 3.123 15.544 ( 1.404 0.130 -0.742) 1.593 15.544 ( -1.404 0.130 0.742) 1.593 15.647 ( -0.032 0.798 -1.673) 1.854 15.647 ( 0.032 0.798 1.673) 1.854 15.941 ( -3.609 2.385 -2.655) 5.076 15.941 ( 3.609 2.385 2.655) 5.076 16.003 ( -4.311 -1.206 -2.196) 4.986 16.003 ( 4.311 -1.206 2.196) 4.986 16.196 ( 0.897 -1.758 -1.808) 2.676 16.196 ( -0.897 -1.758 1.808) 2.676 16.302 ( -0.321 -1.137 -1.940) 2.272 16.302 ( 0.321 -1.137 1.940) 2.272 19.092 ( -3.367 36.374 -4.316) 36.783 19.092 ( 3.367 36.374 4.316) 36.783 19.433 ( 8.870 26.989 -5.321) 28.903 19.433 ( -8.870 26.989 5.321) 28.903 19.791 ( -0.597 -30.486 -1.128) 30.512 19.791 ( 0.597 -30.486 1.128) 30.512 19.985 ( 1.334 -26.056 -1.128) 26.115 19.985 ( -1.334 -26.056 1.128) 26.115 25.463 ( -0.107 1.234 -1.238) 1.752 25.463 ( 0.107 1.234 1.238) 1.752 25.763 ( -2.729 2.314 -3.992) 5.361 25.763 ( 2.729 2.314 3.992) 5.361 25.834 ( -3.147 0.257 -4.389) 5.407 25.834 ( 3.147 0.257 4.389) 5.407 26.121 ( 0.118 1.553 -1.287) 2.021 26.121 ( -0.118 1.553 1.287) 2.021 26.343 ( -0.227 -0.088 -0.182) 0.304 26.343 ( 0.227 -0.088 0.182) 0.304 26.569 ( -0.349 -1.717 -0.484) 1.818 26.569 ( 0.349 -1.717 0.484) 1.818 26.636 ( -1.366 1.897 -2.520) 3.438 26.636 ( 1.366 1.897 2.520) 3.438 26.719 ( 0.281 -2.549 -2.489) 3.574 26.719 ( -0.281 -2.549 2.489) 3.574 26.955 ( -1.220 0.232 0.035) 1.242 26.955 ( 1.220 0.232 -0.035) 1.242 27.040 ( 0.052 -1.997 -1.654) 2.593 27.040 ( -0.052 -1.997 1.654) 2.593 27.298 ( -1.843 0.285 -1.620) 2.471 27.298 ( 1.843 0.285 1.620) 2.471 27.365 ( -1.200 -4.216 -2.074) 4.850 27.365 ( 1.200 -4.216 2.074) 4.850 29.329 ( -0.500 2.005 -0.751) 2.199 29.329 ( 0.500 2.005 0.751) 2.199 29.634 ( -1.740 0.966 -1.028) 2.240 29.634 ( 1.740 0.966 1.028) 2.240 29.868 ( 0.510 0.847 -2.475) 2.665 29.868 ( -0.510 0.847 2.475) 2.665 29.975 ( -0.083 -3.602 -2.396) 4.327 29.975 ( 0.083 -3.602 2.396) 4.327 =================== 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 3/31104 10.0 589.574 557.510 504.241 0.000 53.439 0.000 3/31104 20.0 61.139 67.416 78.156 0.000 -7.770 0.000 3/31104 30.0 17.159 20.576 23.564 0.000 -3.042 0.000 3/31104 40.0 8.062 9.995 11.331 0.000 -1.538 0.000 3/31104 50.0 4.862 6.117 6.886 0.000 -0.930 0.000 3/31104 60.0 3.378 4.282 4.792 0.000 -0.633 0.000 3/31104 70.0 2.563 3.266 3.632 0.000 -0.468 0.000 3/31104 80.0 2.062 2.639 2.916 0.000 -0.366 0.000 3/31104 90.0 1.728 2.222 2.436 0.000 -0.298 0.000 3/31104 100.0 1.491 1.929 2.096 0.000 -0.251 0.000 3/31104 110.0 1.315 1.715 1.844 0.000 -0.216 0.000 3/31104 120.0 1.179 1.553 1.649 0.000 -0.190 0.000 3/31104 130.0 1.072 1.427 1.495 0.000 -0.169 0.000 3/31104 140.0 0.984 1.329 1.369 0.000 -0.153 0.000 3/31104 150.0 0.912 1.249 1.265 0.000 -0.139 0.000 3/31104 160.0 0.850 1.184 1.178 0.000 -0.127 0.000 3/31104 170.0 0.798 1.131 1.103 0.000 -0.118 0.000 3/31104 180.0 0.753 1.086 1.038 0.000 -0.109 0.000 3/31104 190.0 0.713 1.047 0.981 0.000 -0.102 0.000 3/31104 200.0 0.678 1.014 0.931 0.000 -0.096 0.000 3/31104 210.0 0.647 0.984 0.887 0.000 -0.090 0.000 3/31104 220.0 0.619 0.958 0.847 0.000 -0.085 0.000 3/31104 230.0 0.594 0.934 0.810 0.000 -0.080 0.000 3/31104 240.0 0.571 0.912 0.778 0.000 -0.076 0.000 3/31104 250.0 0.550 0.892 0.748 0.000 -0.073 0.000 3/31104 260.0 0.530 0.874 0.720 0.000 -0.069 0.000 3/31104 270.0 0.512 0.856 0.695 0.000 -0.066 0.000 3/31104 280.0 0.496 0.840 0.671 0.000 -0.063 0.000 3/31104 290.0 0.481 0.824 0.649 0.000 -0.060 0.000 3/31104 300.0 0.466 0.809 0.629 0.000 -0.058 0.000 3/31104 310.0 0.453 0.794 0.610 0.000 -0.056 0.000 3/31104 320.0 0.440 0.780 0.592 0.000 -0.054 0.000 3/31104 330.0 0.428 0.767 0.576 0.000 -0.052 0.000 3/31104 340.0 0.417 0.754 0.560 0.000 -0.050 0.000 3/31104 350.0 0.406 0.741 0.545 0.000 -0.048 0.000 3/31104 360.0 0.396 0.729 0.531 0.000 -0.046 0.000 3/31104 370.0 0.387 0.717 0.518 0.000 -0.045 0.000 3/31104 380.0 0.378 0.706 0.505 0.000 -0.043 0.000 3/31104 390.0 0.369 0.695 0.493 0.000 -0.042 0.000 3/31104 400.0 0.361 0.684 0.482 0.000 -0.041 0.000 3/31104 410.0 0.353 0.673 0.471 0.000 -0.040 0.000 3/31104 420.0 0.346 0.663 0.460 0.000 -0.038 0.000 3/31104 430.0 0.339 0.653 0.450 0.000 -0.037 0.000 3/31104 440.0 0.332 0.643 0.441 0.000 -0.036 0.000 3/31104 450.0 0.325 0.633 0.432 0.000 -0.035 0.000 3/31104 460.0 0.319 0.624 0.423 0.000 -0.034 0.000 3/31104 470.0 0.313 0.614 0.415 0.000 -0.034 0.000 3/31104 480.0 0.307 0.606 0.406 0.000 -0.033 0.000 3/31104 490.0 0.301 0.597 0.399 0.000 -0.032 0.000 3/31104 500.0 0.296 0.588 0.391 0.000 -0.031 0.000 3/31104 510.0 0.290 0.580 0.384 0.000 -0.030 0.000 3/31104 520.0 0.285 0.572 0.377 0.000 -0.030 0.000 3/31104 530.0 0.280 0.564 0.370 0.000 -0.029 0.000 3/31104 540.0 0.276 0.556 0.364 0.000 -0.028 0.000 3/31104 550.0 0.271 0.549 0.358 0.000 -0.028 0.000 3/31104 560.0 0.267 0.541 0.352 0.000 -0.027 0.000 3/31104 570.0 0.262 0.534 0.346 0.000 -0.027 0.000 3/31104 580.0 0.258 0.527 0.340 0.000 -0.026 0.000 3/31104 590.0 0.254 0.520 0.335 0.000 -0.026 0.000 3/31104 600.0 0.250 0.513 0.330 0.000 -0.025 0.000 3/31104 610.0 0.247 0.507 0.324 0.000 -0.025 0.000 3/31104 620.0 0.243 0.500 0.320 0.000 -0.024 0.000 3/31104 630.0 0.239 0.494 0.315 0.000 -0.024 0.000 3/31104 640.0 0.236 0.488 0.310 0.000 -0.023 0.000 3/31104 650.0 0.233 0.482 0.306 0.000 -0.023 0.000 3/31104 660.0 0.229 0.476 0.301 0.000 -0.023 0.000 3/31104 670.0 0.226 0.470 0.297 0.000 -0.022 0.000 3/31104 680.0 0.223 0.464 0.293 0.000 -0.022 0.000 3/31104 690.0 0.220 0.459 0.289 0.000 -0.021 0.000 3/31104 700.0 0.217 0.454 0.285 0.000 -0.021 0.000 3/31104 710.0 0.214 0.448 0.281 0.000 -0.021 0.000 3/31104 720.0 0.211 0.443 0.277 0.000 -0.020 0.000 3/31104 730.0 0.209 0.438 0.273 0.000 -0.020 0.000 3/31104 740.0 0.206 0.433 0.270 0.000 -0.020 0.000 3/31104 750.0 0.203 0.428 0.267 0.000 -0.020 0.000 3/31104 760.0 0.201 0.423 0.263 0.000 -0.019 0.000 3/31104 770.0 0.198 0.419 0.260 0.000 -0.019 0.000 3/31104 780.0 0.196 0.414 0.257 0.000 -0.019 0.000 3/31104 790.0 0.194 0.410 0.254 0.000 -0.018 0.000 3/31104 800.0 0.191 0.405 0.250 0.000 -0.018 0.000 3/31104 810.0 0.189 0.401 0.247 0.000 -0.018 0.000 3/31104 820.0 0.187 0.397 0.245 0.000 -0.018 0.000 3/31104 830.0 0.185 0.392 0.242 0.000 -0.017 0.000 3/31104 840.0 0.183 0.388 0.239 0.000 -0.017 0.000 3/31104 850.0 0.181 0.384 0.236 0.000 -0.017 0.000 3/31104 860.0 0.179 0.381 0.234 0.000 -0.017 0.000 3/31104 870.0 0.177 0.377 0.231 0.000 -0.017 0.000 3/31104 880.0 0.175 0.373 0.228 0.000 -0.016 0.000 3/31104 890.0 0.173 0.369 0.226 0.000 -0.016 0.000 3/31104 900.0 0.171 0.366 0.224 0.000 -0.016 0.000 3/31104 910.0 0.169 0.362 0.221 0.000 -0.016 0.000 3/31104 920.0 0.168 0.358 0.219 0.000 -0.016 0.000 3/31104 930.0 0.166 0.355 0.217 0.000 -0.015 0.000 3/31104 940.0 0.164 0.352 0.214 0.000 -0.015 0.000 3/31104 950.0 0.163 0.348 0.212 0.000 -0.015 0.000 3/31104 960.0 0.161 0.345 0.210 0.000 -0.015 0.000 3/31104 970.0 0.159 0.342 0.208 0.000 -0.015 0.000 3/31104 980.0 0.158 0.339 0.206 0.000 -0.015 0.000 3/31104 990.0 0.156 0.336 0.204 0.000 -0.014 0.000 3/31104 1000.0 0.155 0.333 0.202 0.000 -0.014 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m494.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:55:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|