----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:33:34]------------------------- 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: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.945639350123528 -4.377702449999999 0.000000000000000 b 4.945639350123528 4.377702449999999 0.000000000000000 c -3.592178702683342 0.000000000000000 8.333885991254848 Atomic positions (fractional): *1 Ca 0.26411878322473 0.39695274205024 0.99854322865442 40.078 *2 Ca 0.72220868199427 0.27779131800573 0.25000000000000 40.078 3 Ca 0.60304725794976 0.73588121677527 0.50145677134558 40.078 4 Ca 0.39695274205024 0.26411878322473 0.49854322865442 40.078 5 Ca 0.27779131800573 0.72220868199427 0.75000000000000 40.078 6 Ca 0.73588121677527 0.60304725794976 0.00145677134558 40.078 *7 Ta 0.06664090533311 0.78104394778393 0.37891572692645 180.948 8 Ta 0.78104394778393 0.06664090533311 0.87891572692645 180.948 9 Ta 0.21895605221607 0.93335909466689 0.12108427307355 180.948 10 Ta 0.93335909466689 0.21895605221607 0.62108427307355 180.948 *11 O 0.31377678258963 0.93327648469094 0.35725725812343 15.999 12 O 0.93327648469094 0.31377678258963 0.85725725812343 15.999 *13 O 0.37311359236916 0.18533343366824 0.18552975485790 15.999 *14 O 0.28210201391713 0.59717551925502 0.47226184524625 15.999 *15 O 0.90070007206259 0.05975987114112 0.38782411311590 15.999 16 O 0.18533343366824 0.37311359236916 0.68552975485790 15.999 17 O 0.59717551925502 0.28210201391713 0.97226184524625 15.999 18 O 0.94024012885888 0.09929992793741 0.11217588688410 15.999 19 O 0.05975987114112 0.90070007206259 0.88782411311590 15.999 20 O 0.40282448074498 0.71789798608287 0.02773815475375 15.999 21 O 0.81466656633176 0.62688640763084 0.31447024514210 15.999 22 O 0.09929992793741 0.94024012885888 0.61217588688410 15.999 23 O 0.71789798608287 0.40282448074498 0.52773815475375 15.999 24 O 0.62688640763084 0.81466656633176 0.81447024514210 15.999 25 O 0.06672351530906 0.68622321741037 0.14274274187657 15.999 26 O 0.68622321741037 0.06672351530906 0.64274274187657 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.891278700247057 0.000000000000000 0.000000000000000 b 0.000000000000000 8.755404899999998 0.000000000000000 c -3.592178702683342 0.000000000000000 8.333885991254848 Atomic positions (fractional): *1 Ca 0.83053576263748 0.56641697941275 0.99854322865442 40.078 > 1 *2 Ca 0.00000000000000 0.27779131800573 0.25000000000000 40.078 > 2 3 Ca 0.16946423736252 0.56641697941275 0.50145677134558 40.078 > 3 4 Ca 0.83053576263748 0.43358302058725 0.49854322865442 40.078 > 4 5 Ca 0.00000000000000 0.72220868199427 0.75000000000000 40.078 > 5 6 Ca 0.16946423736252 0.43358302058725 0.00145677134558 40.078 > 6 7 Ca 0.33053576263748 0.06641697941275 0.99854322865442 40.078 > 1 8 Ca 0.50000000000000 0.77779131800573 0.25000000000000 40.078 > 2 9 Ca 0.66946423736252 0.06641697941275 0.50145677134558 40.078 > 3 10 Ca 0.33053576263748 0.93358302058725 0.49854322865442 40.078 > 4 11 Ca 0.50000000000000 0.22220868199427 0.75000000000000 40.078 > 5 12 Ca 0.66946423736252 0.93358302058725 0.00145677134558 40.078 > 6 *13 Ta 0.92384242655852 0.85720152122541 0.37891572692645 180.948 > 7 14 Ta 0.92384242655852 0.14279847877459 0.87891572692645 180.948 > 8 15 Ta 0.07615757344148 0.85720152122541 0.12108427307355 180.948 > 9 16 Ta 0.07615757344148 0.14279847877459 0.62108427307355 180.948 > 10 17 Ta 0.42384242655852 0.35720152122541 0.37891572692645 180.948 > 7 18 Ta 0.42384242655852 0.64279847877459 0.87891572692645 180.948 > 8 19 Ta 0.57615757344148 0.35720152122541 0.12108427307355 180.948 > 9 20 Ta 0.57615757344148 0.64279847877459 0.62108427307355 180.948 > 10 *21 O 0.12352663364029 0.80974985105065 0.35725725812343 15.999 > 11 22 O 0.12352663364029 0.19025014894935 0.85725725812343 15.999 > 12 *23 O 0.77922351301870 0.40610992064954 0.18552975485790 15.999 > 13 *24 O 0.93963876658607 0.65753675266894 0.47226184524625 15.999 > 14 *25 O 0.98022997160185 0.07952989953926 0.38782411311590 15.999 > 15 26 O 0.77922351301870 0.59389007935046 0.68552975485790 15.999 > 16 27 O 0.93963876658607 0.34246324733105 0.97226184524625 15.999 > 17 28 O 0.01977002839815 0.07952989953926 0.11217588688410 15.999 > 18 29 O 0.98022997160185 0.92047010046074 0.88782411311590 15.999 > 19 30 O 0.06036123341393 0.65753675266894 0.02773815475375 15.999 > 20 31 O 0.22077648698130 0.40610992064954 0.31447024514210 15.999 > 21 32 O 0.01977002839815 0.92047010046074 0.61217588688410 15.999 > 22 33 O 0.06036123341393 0.34246324733105 0.52773815475375 15.999 > 23 34 O 0.22077648698130 0.59389007935046 0.81447024514210 15.999 > 24 35 O 0.87647336635971 0.80974985105065 0.14274274187657 15.999 > 25 36 O 0.87647336635971 0.19025014894935 0.64274274187657 15.999 > 26 37 O 0.62352663364029 0.30974985105065 0.35725725812343 15.999 > 11 38 O 0.62352663364029 0.69025014894935 0.85725725812343 15.999 > 12 39 O 0.27922351301870 0.90610992064954 0.18552975485790 15.999 > 13 40 O 0.43963876658607 0.15753675266895 0.47226184524625 15.999 > 14 41 O 0.48022997160185 0.57952989953926 0.38782411311590 15.999 > 15 42 O 0.27922351301870 0.09389007935046 0.68552975485790 15.999 > 16 43 O 0.43963876658607 0.84246324733106 0.97226184524625 15.999 > 17 44 O 0.51977002839815 0.57952989953926 0.11217588688410 15.999 > 18 45 O 0.48022997160185 0.42047010046074 0.88782411311590 15.999 > 19 46 O 0.56036123341393 0.15753675266895 0.02773815475375 15.999 > 20 47 O 0.72077648698130 0.90610992064954 0.31447024514210 15.999 > 21 48 O 0.51977002839815 0.42047010046074 0.61217588688410 15.999 > 22 49 O 0.56036123341393 0.84246324733106 0.52773815475375 15.999 > 23 50 O 0.72077648698130 0.09389007935046 0.81447024514210 15.999 > 24 51 O 0.37647336635971 0.30974985105065 0.14274274187657 15.999 > 25 52 O 0.37647336635971 0.69025014894935 0.64274274187657 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.891278700247057 0.000000000000000 0.000000000000000 b 0.000000000000000 17.510809799999997 0.000000000000000 c -3.592178702683342 0.000000000000000 8.333885991254848 Atomic positions (fractional): *1 Ca 0.83053576263748 0.28320848970638 0.99854322865442 40.078 > 1 2 Ca 0.83053576263748 0.78320848970638 0.99854322865442 40.078 > 1 *3 Ca 0.00000000000000 0.13889565900286 0.25000000000000 40.078 > 2 4 Ca 0.00000000000000 0.63889565900286 0.25000000000000 40.078 > 2 5 Ca 0.16946423736252 0.28320848970638 0.50145677134558 40.078 > 3 6 Ca 0.16946423736252 0.78320848970638 0.50145677134558 40.078 > 3 7 Ca 0.83053576263748 0.21679151029362 0.49854322865442 40.078 > 4 8 Ca 0.83053576263748 0.71679151029362 0.49854322865442 40.078 > 4 9 Ca 0.00000000000000 0.36110434099714 0.75000000000000 40.078 > 5 10 Ca 0.00000000000000 0.86110434099714 0.75000000000000 40.078 > 5 11 Ca 0.16946423736252 0.21679151029362 0.00145677134558 40.078 > 6 12 Ca 0.16946423736252 0.71679151029362 0.00145677134558 40.078 > 6 13 Ca 0.33053576263748 0.03320848970638 0.99854322865442 40.078 > 1 14 Ca 0.33053576263748 0.53320848970638 0.99854322865442 40.078 > 1 15 Ca 0.50000000000000 0.38889565900286 0.25000000000000 40.078 > 2 16 Ca 0.50000000000000 0.88889565900286 0.25000000000000 40.078 > 2 17 Ca 0.66946423736252 0.03320848970638 0.50145677134558 40.078 > 3 18 Ca 0.66946423736252 0.53320848970638 0.50145677134558 40.078 > 3 19 Ca 0.33053576263748 0.46679151029362 0.49854322865442 40.078 > 4 20 Ca 0.33053576263748 0.96679151029362 0.49854322865442 40.078 > 4 21 Ca 0.50000000000000 0.11110434099714 0.75000000000000 40.078 > 5 22 Ca 0.50000000000000 0.61110434099714 0.75000000000000 40.078 > 5 23 Ca 0.66946423736252 0.46679151029362 0.00145677134558 40.078 > 6 24 Ca 0.66946423736252 0.96679151029362 0.00145677134558 40.078 > 6 *25 Ta 0.92384242655852 0.42860076061270 0.37891572692645 180.948 > 7 26 Ta 0.92384242655852 0.92860076061270 0.37891572692645 180.948 > 7 27 Ta 0.92384242655852 0.07139923938730 0.87891572692645 180.948 > 8 28 Ta 0.92384242655852 0.57139923938730 0.87891572692645 180.948 > 8 29 Ta 0.07615757344148 0.42860076061270 0.12108427307355 180.948 > 9 30 Ta 0.07615757344148 0.92860076061270 0.12108427307355 180.948 > 9 31 Ta 0.07615757344148 0.07139923938730 0.62108427307355 180.948 > 10 32 Ta 0.07615757344148 0.57139923938730 0.62108427307355 180.948 > 10 33 Ta 0.42384242655852 0.17860076061270 0.37891572692645 180.948 > 7 34 Ta 0.42384242655852 0.67860076061270 0.37891572692645 180.948 > 7 35 Ta 0.42384242655852 0.32139923938730 0.87891572692645 180.948 > 8 36 Ta 0.42384242655852 0.82139923938730 0.87891572692645 180.948 > 8 37 Ta 0.57615757344148 0.17860076061270 0.12108427307355 180.948 > 9 38 Ta 0.57615757344148 0.67860076061270 0.12108427307355 180.948 > 9 39 Ta 0.57615757344148 0.32139923938730 0.62108427307355 180.948 > 10 40 Ta 0.57615757344148 0.82139923938730 0.62108427307355 180.948 > 10 *41 O 0.12352663364029 0.40487492552533 0.35725725812343 15.999 > 11 42 O 0.12352663364029 0.90487492552533 0.35725725812343 15.999 > 11 43 O 0.12352663364029 0.09512507447467 0.85725725812343 15.999 > 12 44 O 0.12352663364029 0.59512507447467 0.85725725812343 15.999 > 12 *45 O 0.77922351301870 0.20305496032477 0.18552975485790 15.999 > 13 46 O 0.77922351301870 0.70305496032477 0.18552975485790 15.999 > 13 *47 O 0.93963876658607 0.32876837633447 0.47226184524625 15.999 > 14 48 O 0.93963876658607 0.82876837633447 0.47226184524625 15.999 > 14 *49 O 0.98022997160185 0.03976494976963 0.38782411311590 15.999 > 15 50 O 0.98022997160185 0.53976494976963 0.38782411311590 15.999 > 15 51 O 0.77922351301870 0.29694503967523 0.68552975485790 15.999 > 16 52 O 0.77922351301870 0.79694503967523 0.68552975485790 15.999 > 16 53 O 0.93963876658607 0.17123162366553 0.97226184524625 15.999 > 17 54 O 0.93963876658607 0.67123162366553 0.97226184524625 15.999 > 17 55 O 0.01977002839815 0.03976494976963 0.11217588688410 15.999 > 18 56 O 0.01977002839815 0.53976494976963 0.11217588688410 15.999 > 18 57 O 0.98022997160185 0.46023505023037 0.88782411311590 15.999 > 19 58 O 0.98022997160185 0.96023505023037 0.88782411311590 15.999 > 19 59 O 0.06036123341393 0.32876837633447 0.02773815475375 15.999 > 20 60 O 0.06036123341393 0.82876837633447 0.02773815475375 15.999 > 20 61 O 0.22077648698130 0.20305496032477 0.31447024514210 15.999 > 21 62 O 0.22077648698130 0.70305496032477 0.31447024514210 15.999 > 21 63 O 0.01977002839815 0.46023505023037 0.61217588688410 15.999 > 22 64 O 0.01977002839815 0.96023505023037 0.61217588688410 15.999 > 22 65 O 0.06036123341393 0.17123162366553 0.52773815475375 15.999 > 23 66 O 0.06036123341393 0.67123162366553 0.52773815475375 15.999 > 23 67 O 0.22077648698130 0.29694503967523 0.81447024514210 15.999 > 24 68 O 0.22077648698130 0.79694503967523 0.81447024514210 15.999 > 24 69 O 0.87647336635971 0.40487492552533 0.14274274187657 15.999 > 25 70 O 0.87647336635971 0.90487492552533 0.14274274187657 15.999 > 25 71 O 0.87647336635971 0.09512507447467 0.64274274187657 15.999 > 26 72 O 0.87647336635971 0.59512507447467 0.64274274187657 15.999 > 26 73 O 0.62352663364029 0.15487492552533 0.35725725812343 15.999 > 11 74 O 0.62352663364029 0.65487492552533 0.35725725812343 15.999 > 11 75 O 0.62352663364029 0.34512507447467 0.85725725812343 15.999 > 12 76 O 0.62352663364029 0.84512507447467 0.85725725812343 15.999 > 12 77 O 0.27922351301870 0.45305496032477 0.18552975485790 15.999 > 13 78 O 0.27922351301870 0.95305496032477 0.18552975485790 15.999 > 13 79 O 0.43963876658607 0.07876837633447 0.47226184524625 15.999 > 14 80 O 0.43963876658607 0.57876837633447 0.47226184524625 15.999 > 14 81 O 0.48022997160185 0.28976494976963 0.38782411311590 15.999 > 15 82 O 0.48022997160185 0.78976494976963 0.38782411311590 15.999 > 15 83 O 0.27922351301870 0.04694503967523 0.68552975485790 15.999 > 16 84 O 0.27922351301870 0.54694503967523 0.68552975485790 15.999 > 16 85 O 0.43963876658607 0.42123162366553 0.97226184524625 15.999 > 17 86 O 0.43963876658607 0.92123162366553 0.97226184524625 15.999 > 17 87 O 0.51977002839815 0.28976494976963 0.11217588688410 15.999 > 18 88 O 0.51977002839815 0.78976494976963 0.11217588688410 15.999 > 18 89 O 0.48022997160185 0.21023505023037 0.88782411311590 15.999 > 19 90 O 0.48022997160185 0.71023505023037 0.88782411311590 15.999 > 19 91 O 0.56036123341393 0.07876837633447 0.02773815475375 15.999 > 20 92 O 0.56036123341393 0.57876837633447 0.02773815475375 15.999 > 20 93 O 0.72077648698130 0.45305496032477 0.31447024514210 15.999 > 21 94 O 0.72077648698130 0.95305496032477 0.31447024514210 15.999 > 21 95 O 0.51977002839815 0.21023505023037 0.61217588688410 15.999 > 22 96 O 0.51977002839815 0.71023505023037 0.61217588688410 15.999 > 22 97 O 0.56036123341393 0.42123162366553 0.52773815475375 15.999 > 23 98 O 0.56036123341393 0.92123162366553 0.52773815475375 15.999 > 23 99 O 0.72077648698130 0.04694503967523 0.81447024514210 15.999 > 24 100 O 0.72077648698130 0.54694503967523 0.81447024514210 15.999 > 24 101 O 0.37647336635971 0.15487492552533 0.14274274187657 15.999 > 25 102 O 0.37647336635971 0.65487492552533 0.14274274187657 15.999 > 25 103 O 0.37647336635971 0.34512507447467 0.64274274187657 15.999 > 26 104 O 0.37647336635971 0.84512507447467 0.64274274187657 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8700192 0.0000000 -0.0146256 0.0000000 3.9125717 0.0000000 -0.0146219 0.0000000 3.8857006 -------------------------- Born effective charges -------------------------- 1 Ca 2.6169810 -0.0078928 0.1369064 0.0748768 2.8088680 -0.0101015 0.2006250 0.1333881 2.2459681 2 Ca 2.6371240 0.0000000 -0.2286737 0.0000000 2.2798586 0.0000000 -0.1512354 0.0000000 2.7842640 3 Ca 2.6169810 0.0078928 0.1369064 -0.0748768 2.8088680 0.0101015 0.2006250 -0.1333881 2.2459681 4 Ca 2.6169810 0.0078928 0.1369064 -0.0748768 2.8088680 0.0101015 0.2006250 -0.1333881 2.2459681 5 Ca 2.6371240 0.0000000 -0.2286737 0.0000000 2.2798586 0.0000000 -0.1512354 0.0000000 2.7842640 6 Ca 2.6169810 -0.0078928 0.1369064 0.0748768 2.8088680 -0.0101015 0.2006250 0.1333881 2.2459681 7 Ta 4.9379564 -0.2499492 -0.1208959 0.1397777 5.2285112 0.3917901 -0.2794171 0.6184581 5.2333555 8 Ta 4.9379564 0.2499492 -0.1208959 -0.1397777 5.2285112 -0.3917901 -0.2794171 -0.6184581 5.2333555 9 Ta 4.9379564 0.2499492 -0.1208959 -0.1397777 5.2285112 -0.3917901 -0.2794171 -0.6184581 5.2333555 10 Ta 4.9379564 -0.2499492 -0.1208959 0.1397777 5.2285112 0.3917901 -0.2794171 0.6184581 5.2333555 11 O -2.6465825 0.0784965 0.2625621 0.0863850 -1.4225528 0.3364323 0.4646424 0.3255874 -2.8941082 12 O -2.6465825 -0.0784965 0.2625621 -0.0863850 -1.4225528 -0.3364323 0.4646424 -0.3255874 -2.8941082 13 O -3.4519941 -0.4003636 -0.5747028 0.0620276 -1.3655539 0.1369898 -0.4787153 0.1365163 -1.6323661 14 O -1.6901493 -0.3592453 0.2205086 -0.1127257 -3.4701880 0.8139805 0.0994692 0.6524179 -1.7028837 15 O -1.0847734 -0.4431097 0.1899586 -0.5536164 -2.9190138 -0.5822556 0.0690136 -0.5088172 -2.6420976 16 O -3.4519941 0.4003636 -0.5747028 -0.0620276 -1.3655539 -0.1369898 -0.4787153 -0.1365163 -1.6323661 17 O -1.6901493 0.3592453 0.2205086 0.1127257 -3.4701880 -0.8139805 0.0994692 -0.6524179 -1.7028837 18 O -1.0847734 0.4431097 0.1899586 0.5536164 -2.9190138 0.5822556 0.0690136 0.5088172 -2.6420976 19 O -1.0847734 0.4431097 0.1899586 0.5536164 -2.9190138 0.5822556 0.0690136 0.5088172 -2.6420976 20 O -1.6901493 0.3592453 0.2205086 0.1127257 -3.4701880 -0.8139805 0.0994692 -0.6524179 -1.7028837 21 O -3.4519941 0.4003636 -0.5747028 -0.0620276 -1.3655539 -0.1369898 -0.4787153 -0.1365163 -1.6323661 22 O -1.0847734 -0.4431097 0.1899586 -0.5536164 -2.9190138 -0.5822556 0.0690136 -0.5088172 -2.6420976 23 O -1.6901493 -0.3592453 0.2205086 -0.1127257 -3.4701880 0.8139805 0.0994692 0.6524179 -1.7028837 24 O -3.4519941 -0.4003636 -0.5747028 0.0620276 -1.3655539 0.1369898 -0.4787153 0.1365163 -1.6323661 25 O -2.6465825 -0.0784965 0.2625621 -0.0863850 -1.4225528 -0.3364323 0.4646424 -0.3255874 -2.8941082 26 O -2.6465825 0.0784965 0.2625621 0.0863850 -1.4225528 0.3364323 0.4646424 0.3255874 -2.8941082 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 15018/15018 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3161 Number of blocks in projector: 3161 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: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 680 / 680 (1) 172 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 161 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 161 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 379 Use standard eigh solver. Tree of FC basis block matrices: - (3161, 3103), data: False |-- (379, 372), data: True |-- (379, 372), data: True |-- (379, 372), data: True |-- (672, 660), data: False |-- (672, 11), data: (672, 23) @ (23, 11) |-- (172, 161), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (672, 660), data: False |-- (672, 11), data: (672, 23) @ (23, 11) |-- (172, 161), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (680, 667), data: False |-- (680, 8), data: (680, 21) @ (21, 8) |-- (180, 172), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 800 - Time: 0.861 Solver_block: 200 / 800 - Time: 0.803 Solver_block: 300 / 800 - Time: 0.791 Solver_block: 400 / 800 - Time: 0.801 Solver_block: 500 / 800 - Time: 0.807 Solver_block: 600 / 800 - Time: 0.802 Solver_block: 700 / 800 - Time: 0.788 Solver_block: 800 / 800 - Time: 0.801 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.592 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 15018/15018 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3161 Number of blocks in projector: 3161 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: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 680 / 680 (1) 172 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 161 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 161 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 379 Use standard eigh solver. Tree of FC basis block matrices: - (3161, 3103), data: False |-- (379, 372), data: True |-- (379, 372), data: True |-- (379, 372), data: True |-- (672, 660), data: False |-- (672, 11), data: (672, 23) @ (23, 11) |-- (172, 161), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (672, 660), data: False |-- (672, 11), data: (672, 23) @ (23, 11) |-- (172, 161), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (680, 667), data: False |-- (680, 8), data: (680, 21) @ (21, 8) |-- (180, 172), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:34:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:34:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.945639350123528 -4.377702449999999 0.000000000000000 b 4.945639350123528 4.377702449999999 0.000000000000000 c -3.592178702683342 0.000000000000000 8.333885991254848 Atomic positions (fractional): 1 Ca 0.26411878322473 0.39695274205024 0.99854322865442 40.078 2 Ca 0.72220868199427 0.27779131800573 0.25000000000000 40.078 3 Ca 0.60304725794976 0.73588121677527 0.50145677134558 40.078 4 Ca 0.39695274205024 0.26411878322473 0.49854322865442 40.078 5 Ca 0.27779131800573 0.72220868199427 0.75000000000000 40.078 6 Ca 0.73588121677527 0.60304725794976 0.00145677134558 40.078 7 Ta 0.06664090533311 0.78104394778393 0.37891572692645 180.948 8 Ta 0.78104394778393 0.06664090533311 0.87891572692645 180.948 9 Ta 0.21895605221607 0.93335909466689 0.12108427307355 180.948 10 Ta 0.93335909466689 0.21895605221607 0.62108427307355 180.948 11 O 0.31377678258963 0.93327648469094 0.35725725812343 15.999 12 O 0.93327648469094 0.31377678258963 0.85725725812343 15.999 13 O 0.37311359236916 0.18533343366824 0.18552975485790 15.999 14 O 0.28210201391713 0.59717551925502 0.47226184524625 15.999 15 O 0.90070007206259 0.05975987114112 0.38782411311590 15.999 16 O 0.18533343366824 0.37311359236916 0.68552975485790 15.999 17 O 0.59717551925502 0.28210201391713 0.97226184524625 15.999 18 O 0.94024012885888 0.09929992793741 0.11217588688410 15.999 19 O 0.05975987114112 0.90070007206259 0.88782411311590 15.999 20 O 0.40282448074498 0.71789798608287 0.02773815475375 15.999 21 O 0.81466656633176 0.62688640763084 0.31447024514210 15.999 22 O 0.09929992793741 0.94024012885888 0.61217588688410 15.999 23 O 0.71789798608287 0.40282448074498 0.52773815475375 15.999 24 O 0.62688640763084 0.81466656633176 0.81447024514210 15.999 25 O 0.06672351530906 0.68622321741037 0.14274274187657 15.999 26 O 0.68622321741037 0.06672351530906 0.64274274187657 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.891278700247057 0.000000000000000 0.000000000000000 b 0.000000000000000 17.510809799999997 0.000000000000000 c -3.592178702683342 0.000000000000000 8.333885991254848 Atomic positions (fractional): 1 Ca 0.83053576263748 0.28320848970638 0.99854322865442 40.078 > 1 2 Ca 0.83053576263748 0.78320848970638 0.99854322865442 40.078 > 1 3 Ca 0.00000000000000 0.13889565900286 0.25000000000000 40.078 > 3 4 Ca 0.00000000000000 0.63889565900286 0.25000000000000 40.078 > 3 5 Ca 0.16946423736252 0.28320848970638 0.50145677134558 40.078 > 5 6 Ca 0.16946423736252 0.78320848970638 0.50145677134558 40.078 > 5 7 Ca 0.83053576263748 0.21679151029362 0.49854322865442 40.078 > 7 8 Ca 0.83053576263748 0.71679151029362 0.49854322865442 40.078 > 7 9 Ca 0.00000000000000 0.36110434099714 0.75000000000000 40.078 > 9 10 Ca 0.00000000000000 0.86110434099714 0.75000000000000 40.078 > 9 11 Ca 0.16946423736252 0.21679151029362 0.00145677134558 40.078 > 11 12 Ca 0.16946423736252 0.71679151029362 0.00145677134558 40.078 > 11 13 Ca 0.33053576263748 0.03320848970638 0.99854322865442 40.078 > 1 14 Ca 0.33053576263748 0.53320848970638 0.99854322865442 40.078 > 1 15 Ca 0.50000000000000 0.38889565900286 0.25000000000000 40.078 > 3 16 Ca 0.50000000000000 0.88889565900286 0.25000000000000 40.078 > 3 17 Ca 0.66946423736252 0.03320848970638 0.50145677134558 40.078 > 5 18 Ca 0.66946423736252 0.53320848970638 0.50145677134558 40.078 > 5 19 Ca 0.33053576263748 0.46679151029362 0.49854322865442 40.078 > 7 20 Ca 0.33053576263748 0.96679151029362 0.49854322865442 40.078 > 7 21 Ca 0.50000000000000 0.11110434099714 0.75000000000000 40.078 > 9 22 Ca 0.50000000000000 0.61110434099714 0.75000000000000 40.078 > 9 23 Ca 0.66946423736252 0.46679151029362 0.00145677134558 40.078 > 11 24 Ca 0.66946423736252 0.96679151029362 0.00145677134558 40.078 > 11 25 Ta 0.92384242655852 0.42860076061270 0.37891572692645 180.948 > 25 26 Ta 0.92384242655852 0.92860076061270 0.37891572692645 180.948 > 25 27 Ta 0.92384242655852 0.07139923938730 0.87891572692645 180.948 > 27 28 Ta 0.92384242655852 0.57139923938730 0.87891572692645 180.948 > 27 29 Ta 0.07615757344148 0.42860076061270 0.12108427307355 180.948 > 29 30 Ta 0.07615757344148 0.92860076061270 0.12108427307355 180.948 > 29 31 Ta 0.07615757344148 0.07139923938730 0.62108427307355 180.948 > 31 32 Ta 0.07615757344148 0.57139923938730 0.62108427307355 180.948 > 31 33 Ta 0.42384242655852 0.17860076061270 0.37891572692645 180.948 > 25 34 Ta 0.42384242655852 0.67860076061270 0.37891572692645 180.948 > 25 35 Ta 0.42384242655852 0.32139923938730 0.87891572692645 180.948 > 27 36 Ta 0.42384242655852 0.82139923938730 0.87891572692645 180.948 > 27 37 Ta 0.57615757344148 0.17860076061270 0.12108427307355 180.948 > 29 38 Ta 0.57615757344148 0.67860076061270 0.12108427307355 180.948 > 29 39 Ta 0.57615757344148 0.32139923938730 0.62108427307355 180.948 > 31 40 Ta 0.57615757344148 0.82139923938730 0.62108427307355 180.948 > 31 41 O 0.12352663364029 0.40487492552533 0.35725725812343 15.999 > 41 42 O 0.12352663364029 0.90487492552533 0.35725725812343 15.999 > 41 43 O 0.12352663364029 0.09512507447467 0.85725725812343 15.999 > 43 44 O 0.12352663364029 0.59512507447467 0.85725725812343 15.999 > 43 45 O 0.77922351301870 0.20305496032477 0.18552975485790 15.999 > 45 46 O 0.77922351301870 0.70305496032477 0.18552975485790 15.999 > 45 47 O 0.93963876658607 0.32876837633447 0.47226184524625 15.999 > 47 48 O 0.93963876658607 0.82876837633447 0.47226184524625 15.999 > 47 49 O 0.98022997160185 0.03976494976963 0.38782411311590 15.999 > 49 50 O 0.98022997160185 0.53976494976963 0.38782411311590 15.999 > 49 51 O 0.77922351301870 0.29694503967523 0.68552975485790 15.999 > 51 52 O 0.77922351301870 0.79694503967523 0.68552975485790 15.999 > 51 53 O 0.93963876658607 0.17123162366553 0.97226184524625 15.999 > 53 54 O 0.93963876658607 0.67123162366553 0.97226184524625 15.999 > 53 55 O 0.01977002839815 0.03976494976963 0.11217588688410 15.999 > 55 56 O 0.01977002839815 0.53976494976963 0.11217588688410 15.999 > 55 57 O 0.98022997160185 0.46023505023037 0.88782411311590 15.999 > 57 58 O 0.98022997160185 0.96023505023037 0.88782411311590 15.999 > 57 59 O 0.06036123341393 0.32876837633447 0.02773815475375 15.999 > 59 60 O 0.06036123341393 0.82876837633447 0.02773815475375 15.999 > 59 61 O 0.22077648698130 0.20305496032477 0.31447024514210 15.999 > 61 62 O 0.22077648698130 0.70305496032477 0.31447024514210 15.999 > 61 63 O 0.01977002839815 0.46023505023037 0.61217588688410 15.999 > 63 64 O 0.01977002839815 0.96023505023037 0.61217588688410 15.999 > 63 65 O 0.06036123341393 0.17123162366553 0.52773815475375 15.999 > 65 66 O 0.06036123341393 0.67123162366553 0.52773815475375 15.999 > 65 67 O 0.22077648698130 0.29694503967523 0.81447024514210 15.999 > 67 68 O 0.22077648698130 0.79694503967523 0.81447024514210 15.999 > 67 69 O 0.87647336635971 0.40487492552533 0.14274274187657 15.999 > 69 70 O 0.87647336635971 0.90487492552533 0.14274274187657 15.999 > 69 71 O 0.87647336635971 0.09512507447467 0.64274274187657 15.999 > 71 72 O 0.87647336635971 0.59512507447467 0.64274274187657 15.999 > 71 73 O 0.62352663364029 0.15487492552533 0.35725725812343 15.999 > 41 74 O 0.62352663364029 0.65487492552533 0.35725725812343 15.999 > 41 75 O 0.62352663364029 0.34512507447467 0.85725725812343 15.999 > 43 76 O 0.62352663364029 0.84512507447467 0.85725725812343 15.999 > 43 77 O 0.27922351301870 0.45305496032477 0.18552975485790 15.999 > 45 78 O 0.27922351301870 0.95305496032477 0.18552975485790 15.999 > 45 79 O 0.43963876658607 0.07876837633447 0.47226184524625 15.999 > 47 80 O 0.43963876658607 0.57876837633447 0.47226184524625 15.999 > 47 81 O 0.48022997160185 0.28976494976963 0.38782411311590 15.999 > 49 82 O 0.48022997160185 0.78976494976963 0.38782411311590 15.999 > 49 83 O 0.27922351301870 0.04694503967523 0.68552975485790 15.999 > 51 84 O 0.27922351301870 0.54694503967523 0.68552975485790 15.999 > 51 85 O 0.43963876658607 0.42123162366553 0.97226184524625 15.999 > 53 86 O 0.43963876658607 0.92123162366553 0.97226184524625 15.999 > 53 87 O 0.51977002839815 0.28976494976963 0.11217588688410 15.999 > 55 88 O 0.51977002839815 0.78976494976963 0.11217588688410 15.999 > 55 89 O 0.48022997160185 0.21023505023037 0.88782411311590 15.999 > 57 90 O 0.48022997160185 0.71023505023037 0.88782411311590 15.999 > 57 91 O 0.56036123341393 0.07876837633447 0.02773815475375 15.999 > 59 92 O 0.56036123341393 0.57876837633447 0.02773815475375 15.999 > 59 93 O 0.72077648698130 0.45305496032477 0.31447024514210 15.999 > 61 94 O 0.72077648698130 0.95305496032477 0.31447024514210 15.999 > 61 95 O 0.51977002839815 0.21023505023037 0.61217588688410 15.999 > 63 96 O 0.51977002839815 0.71023505023037 0.61217588688410 15.999 > 63 97 O 0.56036123341393 0.42123162366553 0.52773815475375 15.999 > 65 98 O 0.56036123341393 0.92123162366553 0.52773815475375 15.999 > 65 99 O 0.72077648698130 0.04694503967523 0.81447024514210 15.999 > 67 100 O 0.72077648698130 0.54694503967523 0.81447024514210 15.999 > 67 101 O 0.37647336635971 0.15487492552533 0.14274274187657 15.999 > 69 102 O 0.37647336635971 0.65487492552533 0.14274274187657 15.999 > 69 103 O 0.37647336635971 0.34512507447467 0.64274274187657 15.999 > 71 104 O 0.37647336635971 0.84512507447467 0.64274274187657 15.999 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8700192 0.0000000 -0.0146256 0.0000000 3.9125717 0.0000000 -0.0146219 0.0000000 3.8857006 -------------------------- Born effective charges -------------------------- 1 Ca 2.6169810 -0.0078928 0.1369064 0.0748768 2.8088680 -0.0101015 0.2006250 0.1333881 2.2459681 2 Ca 2.6371240 0.0000000 -0.2286737 0.0000000 2.2798586 0.0000000 -0.1512354 0.0000000 2.7842640 3 Ca 2.6169810 0.0078928 0.1369064 -0.0748768 2.8088680 0.0101015 0.2006250 -0.1333881 2.2459681 4 Ca 2.6169810 0.0078928 0.1369064 -0.0748768 2.8088680 0.0101015 0.2006250 -0.1333881 2.2459681 5 Ca 2.6371240 0.0000000 -0.2286737 0.0000000 2.2798586 0.0000000 -0.1512354 0.0000000 2.7842640 6 Ca 2.6169810 -0.0078928 0.1369064 0.0748768 2.8088680 -0.0101015 0.2006250 0.1333881 2.2459681 7 Ta 4.9379564 -0.2499492 -0.1208959 0.1397777 5.2285112 0.3917901 -0.2794171 0.6184581 5.2333555 8 Ta 4.9379564 0.2499492 -0.1208959 -0.1397777 5.2285112 -0.3917901 -0.2794171 -0.6184581 5.2333555 9 Ta 4.9379564 0.2499492 -0.1208959 -0.1397777 5.2285112 -0.3917901 -0.2794171 -0.6184581 5.2333555 10 Ta 4.9379564 -0.2499492 -0.1208959 0.1397777 5.2285112 0.3917901 -0.2794171 0.6184581 5.2333555 11 O -2.6465825 0.0784965 0.2625621 0.0863850 -1.4225528 0.3364323 0.4646424 0.3255874 -2.8941082 12 O -2.6465825 -0.0784965 0.2625621 -0.0863850 -1.4225528 -0.3364323 0.4646424 -0.3255874 -2.8941082 13 O -3.4519941 -0.4003636 -0.5747028 0.0620276 -1.3655539 0.1369898 -0.4787153 0.1365163 -1.6323661 14 O -1.6901493 -0.3592453 0.2205086 -0.1127257 -3.4701880 0.8139805 0.0994692 0.6524179 -1.7028837 15 O -1.0847734 -0.4431097 0.1899586 -0.5536164 -2.9190138 -0.5822556 0.0690136 -0.5088172 -2.6420976 16 O -3.4519941 0.4003636 -0.5747028 -0.0620276 -1.3655539 -0.1369898 -0.4787153 -0.1365163 -1.6323661 17 O -1.6901493 0.3592453 0.2205086 0.1127257 -3.4701880 -0.8139805 0.0994692 -0.6524179 -1.7028837 18 O -1.0847734 0.4431097 0.1899586 0.5536164 -2.9190138 0.5822556 0.0690136 0.5088172 -2.6420976 19 O -1.0847734 0.4431097 0.1899586 0.5536164 -2.9190138 0.5822556 0.0690136 0.5088172 -2.6420976 20 O -1.6901493 0.3592453 0.2205086 0.1127257 -3.4701880 -0.8139805 0.0994692 -0.6524179 -1.7028837 21 O -3.4519941 0.4003636 -0.5747028 -0.0620276 -1.3655539 -0.1369898 -0.4787153 -0.1365163 -1.6323661 22 O -1.0847734 -0.4431097 0.1899586 -0.5536164 -2.9190138 -0.5822556 0.0690136 -0.5088172 -2.6420976 23 O -1.6901493 -0.3592453 0.2205086 -0.1127257 -3.4701880 0.8139805 0.0994692 0.6524179 -1.7028837 24 O -3.4519941 -0.4003636 -0.5747028 0.0620276 -1.3655539 0.1369898 -0.4787153 0.1365163 -1.6323661 25 O -2.6465825 -0.0784965 0.2625621 -0.0863850 -1.4225528 -0.3364323 0.4646424 -0.3255874 -2.8941082 26 O -2.6465825 0.0784965 0.2625621 0.0863850 -1.4225528 0.3364323 0.4646424 0.3255874 -2.8941082 ---------------------------------------------------------------------------- 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 45, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 47, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) 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 2026-01-09 01:34:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:34:41]------------------------- 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: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.945639350123528 -4.377702449999999 0.000000000000000 b 4.945639350123528 4.377702449999999 0.000000000000000 c -3.592178702683342 0.000000000000000 8.333885991254848 Atomic positions (fractional): 1 Ca 0.26411878322473 0.39695274205024 0.99854322865442 40.078 2 Ca 0.72220868199427 0.27779131800573 0.25000000000000 40.078 3 Ca 0.60304725794976 0.73588121677527 0.50145677134558 40.078 4 Ca 0.39695274205024 0.26411878322473 0.49854322865442 40.078 5 Ca 0.27779131800573 0.72220868199427 0.75000000000000 40.078 6 Ca 0.73588121677527 0.60304725794976 0.00145677134558 40.078 7 Ta 0.06664090533311 0.78104394778393 0.37891572692645 180.948 8 Ta 0.78104394778393 0.06664090533311 0.87891572692645 180.948 9 Ta 0.21895605221607 0.93335909466689 0.12108427307355 180.948 10 Ta 0.93335909466689 0.21895605221607 0.62108427307355 180.948 11 O 0.31377678258963 0.93327648469094 0.35725725812343 15.999 12 O 0.93327648469094 0.31377678258963 0.85725725812343 15.999 13 O 0.37311359236916 0.18533343366824 0.18552975485790 15.999 14 O 0.28210201391713 0.59717551925502 0.47226184524625 15.999 15 O 0.90070007206259 0.05975987114112 0.38782411311590 15.999 16 O 0.18533343366824 0.37311359236916 0.68552975485790 15.999 17 O 0.59717551925502 0.28210201391713 0.97226184524625 15.999 18 O 0.94024012885888 0.09929992793741 0.11217588688410 15.999 19 O 0.05975987114112 0.90070007206259 0.88782411311590 15.999 20 O 0.40282448074498 0.71789798608287 0.02773815475375 15.999 21 O 0.81466656633176 0.62688640763084 0.31447024514210 15.999 22 O 0.09929992793741 0.94024012885888 0.61217588688410 15.999 23 O 0.71789798608287 0.40282448074498 0.52773815475375 15.999 24 O 0.62688640763084 0.81466656633176 0.81447024514210 15.999 25 O 0.06672351530906 0.68622321741037 0.14274274187657 15.999 26 O 0.68622321741037 0.06672351530906 0.64274274187657 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.891278700247057 0.000000000000000 0.000000000000000 b 0.000000000000000 17.510809799999997 0.000000000000000 c -3.592178702683342 0.000000000000000 8.333885991254848 Atomic positions (fractional): 1 Ca 0.83053576263748 0.28320848970638 0.99854322865442 40.078 > 1 2 Ca 0.83053576263748 0.78320848970638 0.99854322865442 40.078 > 1 3 Ca 0.00000000000000 0.13889565900286 0.25000000000000 40.078 > 3 4 Ca 0.00000000000000 0.63889565900286 0.25000000000000 40.078 > 3 5 Ca 0.16946423736252 0.28320848970638 0.50145677134558 40.078 > 5 6 Ca 0.16946423736252 0.78320848970638 0.50145677134558 40.078 > 5 7 Ca 0.83053576263748 0.21679151029362 0.49854322865442 40.078 > 7 8 Ca 0.83053576263748 0.71679151029362 0.49854322865442 40.078 > 7 9 Ca 0.00000000000000 0.36110434099714 0.75000000000000 40.078 > 9 10 Ca 0.00000000000000 0.86110434099714 0.75000000000000 40.078 > 9 11 Ca 0.16946423736252 0.21679151029362 0.00145677134558 40.078 > 11 12 Ca 0.16946423736252 0.71679151029362 0.00145677134558 40.078 > 11 13 Ca 0.33053576263748 0.03320848970638 0.99854322865442 40.078 > 1 14 Ca 0.33053576263748 0.53320848970638 0.99854322865442 40.078 > 1 15 Ca 0.50000000000000 0.38889565900286 0.25000000000000 40.078 > 3 16 Ca 0.50000000000000 0.88889565900286 0.25000000000000 40.078 > 3 17 Ca 0.66946423736252 0.03320848970638 0.50145677134558 40.078 > 5 18 Ca 0.66946423736252 0.53320848970638 0.50145677134558 40.078 > 5 19 Ca 0.33053576263748 0.46679151029362 0.49854322865442 40.078 > 7 20 Ca 0.33053576263748 0.96679151029362 0.49854322865442 40.078 > 7 21 Ca 0.50000000000000 0.11110434099714 0.75000000000000 40.078 > 9 22 Ca 0.50000000000000 0.61110434099714 0.75000000000000 40.078 > 9 23 Ca 0.66946423736252 0.46679151029362 0.00145677134558 40.078 > 11 24 Ca 0.66946423736252 0.96679151029362 0.00145677134558 40.078 > 11 25 Ta 0.92384242655852 0.42860076061270 0.37891572692645 180.948 > 25 26 Ta 0.92384242655852 0.92860076061270 0.37891572692645 180.948 > 25 27 Ta 0.92384242655852 0.07139923938730 0.87891572692645 180.948 > 27 28 Ta 0.92384242655852 0.57139923938730 0.87891572692645 180.948 > 27 29 Ta 0.07615757344148 0.42860076061270 0.12108427307355 180.948 > 29 30 Ta 0.07615757344148 0.92860076061270 0.12108427307355 180.948 > 29 31 Ta 0.07615757344148 0.07139923938730 0.62108427307355 180.948 > 31 32 Ta 0.07615757344148 0.57139923938730 0.62108427307355 180.948 > 31 33 Ta 0.42384242655852 0.17860076061270 0.37891572692645 180.948 > 25 34 Ta 0.42384242655852 0.67860076061270 0.37891572692645 180.948 > 25 35 Ta 0.42384242655852 0.32139923938730 0.87891572692645 180.948 > 27 36 Ta 0.42384242655852 0.82139923938730 0.87891572692645 180.948 > 27 37 Ta 0.57615757344148 0.17860076061270 0.12108427307355 180.948 > 29 38 Ta 0.57615757344148 0.67860076061270 0.12108427307355 180.948 > 29 39 Ta 0.57615757344148 0.32139923938730 0.62108427307355 180.948 > 31 40 Ta 0.57615757344148 0.82139923938730 0.62108427307355 180.948 > 31 41 O 0.12352663364029 0.40487492552533 0.35725725812343 15.999 > 41 42 O 0.12352663364029 0.90487492552533 0.35725725812343 15.999 > 41 43 O 0.12352663364029 0.09512507447467 0.85725725812343 15.999 > 43 44 O 0.12352663364029 0.59512507447467 0.85725725812343 15.999 > 43 45 O 0.77922351301870 0.20305496032477 0.18552975485790 15.999 > 45 46 O 0.77922351301870 0.70305496032477 0.18552975485790 15.999 > 45 47 O 0.93963876658607 0.32876837633447 0.47226184524625 15.999 > 47 48 O 0.93963876658607 0.82876837633447 0.47226184524625 15.999 > 47 49 O 0.98022997160185 0.03976494976963 0.38782411311590 15.999 > 49 50 O 0.98022997160185 0.53976494976963 0.38782411311590 15.999 > 49 51 O 0.77922351301870 0.29694503967523 0.68552975485790 15.999 > 51 52 O 0.77922351301870 0.79694503967523 0.68552975485790 15.999 > 51 53 O 0.93963876658607 0.17123162366553 0.97226184524625 15.999 > 53 54 O 0.93963876658607 0.67123162366553 0.97226184524625 15.999 > 53 55 O 0.01977002839815 0.03976494976963 0.11217588688410 15.999 > 55 56 O 0.01977002839815 0.53976494976963 0.11217588688410 15.999 > 55 57 O 0.98022997160185 0.46023505023037 0.88782411311590 15.999 > 57 58 O 0.98022997160185 0.96023505023037 0.88782411311590 15.999 > 57 59 O 0.06036123341393 0.32876837633447 0.02773815475375 15.999 > 59 60 O 0.06036123341393 0.82876837633447 0.02773815475375 15.999 > 59 61 O 0.22077648698130 0.20305496032477 0.31447024514210 15.999 > 61 62 O 0.22077648698130 0.70305496032477 0.31447024514210 15.999 > 61 63 O 0.01977002839815 0.46023505023037 0.61217588688410 15.999 > 63 64 O 0.01977002839815 0.96023505023037 0.61217588688410 15.999 > 63 65 O 0.06036123341393 0.17123162366553 0.52773815475375 15.999 > 65 66 O 0.06036123341393 0.67123162366553 0.52773815475375 15.999 > 65 67 O 0.22077648698130 0.29694503967523 0.81447024514210 15.999 > 67 68 O 0.22077648698130 0.79694503967523 0.81447024514210 15.999 > 67 69 O 0.87647336635971 0.40487492552533 0.14274274187657 15.999 > 69 70 O 0.87647336635971 0.90487492552533 0.14274274187657 15.999 > 69 71 O 0.87647336635971 0.09512507447467 0.64274274187657 15.999 > 71 72 O 0.87647336635971 0.59512507447467 0.64274274187657 15.999 > 71 73 O 0.62352663364029 0.15487492552533 0.35725725812343 15.999 > 41 74 O 0.62352663364029 0.65487492552533 0.35725725812343 15.999 > 41 75 O 0.62352663364029 0.34512507447467 0.85725725812343 15.999 > 43 76 O 0.62352663364029 0.84512507447467 0.85725725812343 15.999 > 43 77 O 0.27922351301870 0.45305496032477 0.18552975485790 15.999 > 45 78 O 0.27922351301870 0.95305496032477 0.18552975485790 15.999 > 45 79 O 0.43963876658607 0.07876837633447 0.47226184524625 15.999 > 47 80 O 0.43963876658607 0.57876837633447 0.47226184524625 15.999 > 47 81 O 0.48022997160185 0.28976494976963 0.38782411311590 15.999 > 49 82 O 0.48022997160185 0.78976494976963 0.38782411311590 15.999 > 49 83 O 0.27922351301870 0.04694503967523 0.68552975485790 15.999 > 51 84 O 0.27922351301870 0.54694503967523 0.68552975485790 15.999 > 51 85 O 0.43963876658607 0.42123162366553 0.97226184524625 15.999 > 53 86 O 0.43963876658607 0.92123162366553 0.97226184524625 15.999 > 53 87 O 0.51977002839815 0.28976494976963 0.11217588688410 15.999 > 55 88 O 0.51977002839815 0.78976494976963 0.11217588688410 15.999 > 55 89 O 0.48022997160185 0.21023505023037 0.88782411311590 15.999 > 57 90 O 0.48022997160185 0.71023505023037 0.88782411311590 15.999 > 57 91 O 0.56036123341393 0.07876837633447 0.02773815475375 15.999 > 59 92 O 0.56036123341393 0.57876837633447 0.02773815475375 15.999 > 59 93 O 0.72077648698130 0.45305496032477 0.31447024514210 15.999 > 61 94 O 0.72077648698130 0.95305496032477 0.31447024514210 15.999 > 61 95 O 0.51977002839815 0.21023505023037 0.61217588688410 15.999 > 63 96 O 0.51977002839815 0.71023505023037 0.61217588688410 15.999 > 63 97 O 0.56036123341393 0.42123162366553 0.52773815475375 15.999 > 65 98 O 0.56036123341393 0.92123162366553 0.52773815475375 15.999 > 65 99 O 0.72077648698130 0.04694503967523 0.81447024514210 15.999 > 67 100 O 0.72077648698130 0.54694503967523 0.81447024514210 15.999 > 67 101 O 0.37647336635971 0.15487492552533 0.14274274187657 15.999 > 69 102 O 0.37647336635971 0.65487492552533 0.14274274187657 15.999 > 69 103 O 0.37647336635971 0.34512507447467 0.64274274187657 15.999 > 71 104 O 0.37647336635971 0.84512507447467 0.64274274187657 15.999 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8700192 0.0000000 -0.0146256 0.0000000 3.9125717 0.0000000 -0.0146219 0.0000000 3.8857006 -------------------------- Born effective charges -------------------------- 1 Ca 2.6169810 -0.0078928 0.1369064 0.0748768 2.8088680 -0.0101015 0.2006250 0.1333881 2.2459681 2 Ca 2.6371240 0.0000000 -0.2286737 0.0000000 2.2798586 0.0000000 -0.1512354 0.0000000 2.7842640 3 Ca 2.6169810 0.0078928 0.1369064 -0.0748768 2.8088680 0.0101015 0.2006250 -0.1333881 2.2459681 4 Ca 2.6169810 0.0078928 0.1369064 -0.0748768 2.8088680 0.0101015 0.2006250 -0.1333881 2.2459681 5 Ca 2.6371240 0.0000000 -0.2286737 0.0000000 2.2798586 0.0000000 -0.1512354 0.0000000 2.7842640 6 Ca 2.6169810 -0.0078928 0.1369064 0.0748768 2.8088680 -0.0101015 0.2006250 0.1333881 2.2459681 7 Ta 4.9379564 -0.2499492 -0.1208959 0.1397777 5.2285112 0.3917901 -0.2794171 0.6184581 5.2333555 8 Ta 4.9379564 0.2499492 -0.1208959 -0.1397777 5.2285112 -0.3917901 -0.2794171 -0.6184581 5.2333555 9 Ta 4.9379564 0.2499492 -0.1208959 -0.1397777 5.2285112 -0.3917901 -0.2794171 -0.6184581 5.2333555 10 Ta 4.9379564 -0.2499492 -0.1208959 0.1397777 5.2285112 0.3917901 -0.2794171 0.6184581 5.2333555 11 O -2.6465825 0.0784965 0.2625621 0.0863850 -1.4225528 0.3364323 0.4646424 0.3255874 -2.8941082 12 O -2.6465825 -0.0784965 0.2625621 -0.0863850 -1.4225528 -0.3364323 0.4646424 -0.3255874 -2.8941082 13 O -3.4519941 -0.4003636 -0.5747028 0.0620276 -1.3655539 0.1369898 -0.4787153 0.1365163 -1.6323661 14 O -1.6901493 -0.3592453 0.2205086 -0.1127257 -3.4701880 0.8139805 0.0994692 0.6524179 -1.7028837 15 O -1.0847734 -0.4431097 0.1899586 -0.5536164 -2.9190138 -0.5822556 0.0690136 -0.5088172 -2.6420976 16 O -3.4519941 0.4003636 -0.5747028 -0.0620276 -1.3655539 -0.1369898 -0.4787153 -0.1365163 -1.6323661 17 O -1.6901493 0.3592453 0.2205086 0.1127257 -3.4701880 -0.8139805 0.0994692 -0.6524179 -1.7028837 18 O -1.0847734 0.4431097 0.1899586 0.5536164 -2.9190138 0.5822556 0.0690136 0.5088172 -2.6420976 19 O -1.0847734 0.4431097 0.1899586 0.5536164 -2.9190138 0.5822556 0.0690136 0.5088172 -2.6420976 20 O -1.6901493 0.3592453 0.2205086 0.1127257 -3.4701880 -0.8139805 0.0994692 -0.6524179 -1.7028837 21 O -3.4519941 0.4003636 -0.5747028 -0.0620276 -1.3655539 -0.1369898 -0.4787153 -0.1365163 -1.6323661 22 O -1.0847734 -0.4431097 0.1899586 -0.5536164 -2.9190138 -0.5822556 0.0690136 -0.5088172 -2.6420976 23 O -1.6901493 -0.3592453 0.2205086 -0.1127257 -3.4701880 0.8139805 0.0994692 0.6524179 -1.7028837 24 O -3.4519941 -0.4003636 -0.5747028 0.0620276 -1.3655539 0.1369898 -0.4787153 0.1365163 -1.6323661 25 O -2.6465825 -0.0784965 0.2625621 -0.0863850 -1.4225528 -0.3364323 0.4646424 -0.3255874 -2.8941082 26 O -2.6465825 0.0784965 0.2625621 0.0863850 -1.4225528 0.3364323 0.4646424 0.3255874 -2.8941082 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 301, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 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 1.958 ( 0.000 0.000 0.000) 0.000 2.482 ( 0.000 0.000 0.000) 0.000 2.543 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.886 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.841 ( 0.000 0.000 0.000) 0.000 7.065 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.552 ( 0.000 0.000 0.000) 0.000 7.567 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.268 ( 0.000 0.000 0.000) 0.000 8.325 ( 0.000 0.000 0.000) 0.000 8.376 ( 0.000 0.000 0.000) 0.000 8.827 ( 0.000 0.000 0.000) 0.000 8.913 ( 0.000 0.000 0.000) 0.000 9.188 ( 0.000 0.000 0.000) 0.000 9.253 ( 0.000 0.000 0.000) 0.000 9.392 ( 0.000 0.000 0.000) 0.000 9.439 ( 0.000 0.000 0.000) 0.000 9.769 ( 0.000 0.000 0.000) 0.000 9.833 ( 0.000 0.000 0.000) 0.000 9.866 ( 0.000 0.000 0.000) 0.000 10.150 ( 0.000 0.000 0.000) 0.000 10.296 ( 0.000 0.000 0.000) 0.000 10.651 ( 0.000 0.000 0.000) 0.000 11.257 ( 0.000 0.000 0.000) 0.000 11.641 ( 0.000 0.000 0.000) 0.000 11.785 ( 0.000 0.000 0.000) 0.000 11.835 ( 0.000 0.000 0.000) 0.000 12.187 ( 0.000 0.000 0.000) 0.000 12.828 ( 0.000 0.000 0.000) 0.000 13.465 ( 0.000 0.000 0.000) 0.000 14.271 ( 0.000 0.000 0.000) 0.000 14.502 ( 0.000 0.000 0.000) 0.000 14.911 ( 0.000 0.000 0.000) 0.000 14.993 ( 0.000 0.000 0.000) 0.000 15.264 ( 0.000 0.000 0.000) 0.000 16.034 ( 0.000 0.000 0.000) 0.000 16.592 ( 0.000 0.000 0.000) 0.000 16.731 ( 0.000 0.000 0.000) 0.000 16.862 ( 0.000 0.000 0.000) 0.000 17.036 ( 0.000 0.000 0.000) 0.000 18.104 ( 0.000 0.000 0.000) 0.000 18.502 ( 0.000 0.000 0.000) 0.000 18.768 ( 0.000 0.000 0.000) 0.000 19.395 ( 0.000 0.000 0.000) 0.000 19.709 ( 0.000 0.000 0.000) 0.000 20.243 ( 0.000 0.000 0.000) 0.000 20.463 ( 0.000 0.000 0.000) 0.000 21.077 ( 0.000 0.000 0.000) 0.000 22.666 ( 0.000 0.000 0.000) 0.000 22.788 ( 0.000 0.000 0.000) 0.000 23.134 ( 0.000 0.000 0.000) 0.000 23.237 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 4.965 -20.523 8.338) 22.702 0.500 ( 18.772 -22.073 -10.812) 30.928 1.056 ( 22.244 -45.349 12.770) 52.100 1.955 ( -0.145 -0.473 -3.946) 3.977 2.421 ( -8.442 8.677 -1.933) 12.260 2.494 ( -6.887 0.393 4.553) 8.266 2.560 ( -1.593 0.164 -3.594) 3.935 2.642 ( 2.720 -0.787 -1.646) 3.275 2.853 ( -3.600 3.405 -5.370) 7.307 3.306 ( 5.997 3.461 9.144) 11.470 3.395 ( 4.670 2.009 -0.979) 5.177 3.521 ( 21.204 -12.203 -3.424) 24.704 3.911 ( 0.634 1.391 2.920) 3.296 4.351 ( -1.843 2.142 -3.465) 4.471 4.413 ( -7.010 3.969 5.764) 9.906 4.489 ( -1.807 -2.267 7.238) 7.797 4.851 ( 3.463 1.997 -2.183) 4.555 4.947 ( 0.799 -1.110 -0.094) 1.371 5.101 ( 7.312 -3.802 7.377) 11.061 5.173 ( 0.687 -1.867 -3.505) 4.031 5.249 ( 4.376 13.679 4.392) 15.019 5.908 ( 3.705 -12.693 0.521) 13.233 6.073 ( -10.408 2.537 1.408) 10.805 6.372 ( -1.451 -4.269 -4.333) 6.254 6.570 ( 7.948 5.786 1.966) 10.025 6.814 ( 0.391 4.692 0.909) 4.795 7.076 ( 1.861 -0.278 -0.921) 2.095 7.223 ( -1.617 6.091 0.840) 6.357 7.338 ( -11.437 8.716 0.573) 14.391 7.609 ( 7.068 2.970 -10.311) 12.849 7.690 ( -6.725 -11.493 -3.036) 13.658 7.876 ( -14.320 1.838 2.185) 14.601 8.145 ( 4.609 6.233 -5.547) 9.532 8.208 ( 3.964 0.639 -0.208) 4.020 8.403 ( 2.310 -2.813 -7.832) 8.636 8.425 ( -9.189 -10.264 7.705) 15.785 8.505 ( 1.197 -8.638 5.418) 10.267 8.835 ( -3.535 0.008 -3.184) 4.758 8.900 ( 0.493 0.555 1.913) 2.052 9.163 ( -10.137 0.399 -0.353) 10.151 9.232 ( -3.285 -4.467 -1.036) 5.641 9.383 ( 2.160 4.923 -7.321) 9.083 9.588 ( 9.863 -2.419 -1.582) 10.278 9.712 ( -5.569 4.754 3.299) 8.031 9.837 ( -3.572 -1.786 -8.915) 9.769 9.871 ( -6.569 -6.907 -1.868) 9.713 10.224 ( 8.532 3.474 -10.010) 13.604 10.500 ( 16.815 -1.317 4.788) 17.533 10.641 ( -4.946 -3.872 -1.837) 6.544 11.287 ( -6.421 -1.793 -6.763) 9.497 11.656 ( 0.678 10.826 4.898) 11.901 11.833 ( -0.593 -2.326 2.226) 3.274 12.137 ( -8.911 -5.392 -5.671) 11.859 12.467 ( 3.422 -14.013 -12.540) 19.113 13.424 ( -3.588 19.689 69.179) 72.015 13.462 ( 16.598 13.155 -10.049) 23.442 14.314 ( 2.257 -4.147 -4.656) 6.631 14.680 ( -6.751 1.987 -16.558) 17.992 15.004 ( -9.952 -6.921 16.960) 20.846 15.024 ( -1.845 -5.148 3.943) 6.741 15.341 ( 2.474 3.769 2.347) 5.083 16.303 ( 21.721 5.187 -7.265) 23.484 16.728 ( -0.065 0.676 0.184) 0.704 16.783 ( -10.068 -2.723 -2.630) 10.756 17.002 ( 4.807 0.467 2.682) 5.524 17.989 ( -12.935 -15.372 -17.977) 26.959 18.263 ( -13.814 -25.349 -22.801) 36.787 18.520 ( 1.424 -1.206 -2.002) 2.736 18.754 ( -3.928 -2.044 -1.063) 4.554 19.670 ( -17.345 -8.207 5.462) 19.951 19.894 ( 25.575 32.778 0.312) 41.576 20.433 ( 1.299 4.940 -0.184) 5.111 21.147 ( 2.837 -5.318 0.875) 6.090 22.351 ( -22.404 -14.748 15.448) 30.952 22.670 ( 0.163 -0.097 1.058) 1.075 23.069 ( 14.890 11.259 -11.065) 21.700 23.158 ( 1.687 0.330 -0.807) 1.899 23.263 ( 2.461 -2.151 -4.072) 5.221 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 8.051 -20.412 9.384) 23.865 0.974 ( 17.993 -18.811 -9.393) 27.673 1.883 ( -4.579 -6.157 6.457) 10.029 1.920 ( 10.910 -20.348 -1.999) 23.175 2.155 ( -8.464 0.698 -5.518) 10.128 2.394 ( -6.626 6.052 -2.058) 9.207 2.500 ( -3.190 -0.989 5.181) 6.165 2.740 ( 5.457 -3.520 -3.083) 7.189 2.895 ( 15.062 1.572 1.688) 15.237 3.305 ( -1.199 4.789 7.537) 9.010 3.412 ( 4.650 4.131 -1.544) 6.409 3.791 ( -8.251 0.833 -1.716) 8.469 3.999 ( 13.006 -15.305 -1.517) 20.142 4.295 ( -2.551 0.989 0.503) 2.782 4.325 ( 1.181 6.356 2.691) 7.003 4.607 ( 8.773 -3.802 7.398) 12.090 4.761 ( 0.160 7.593 -4.749) 8.957 4.961 ( -1.553 -1.090 -2.140) 2.860 5.090 ( -0.279 4.809 2.421) 5.391 5.346 ( 9.411 -5.779 3.037) 11.454 5.367 ( 11.547 -7.860 5.236) 14.917 5.880 ( -2.851 3.143 -4.395) 6.109 6.153 ( -1.508 -8.567 8.034) 11.842 6.372 ( -6.675 -5.519 -3.327) 9.278 6.623 ( -0.902 -1.598 0.622) 1.938 6.742 ( 3.455 4.602 -1.307) 5.901 7.031 ( -9.010 12.695 -3.329) 15.919 7.084 ( 1.232 3.147 -3.895) 5.157 7.136 ( 1.047 4.164 2.800) 5.126 7.486 ( -18.141 10.499 0.286) 20.962 7.555 ( -2.645 2.069 -6.722) 7.515 7.851 ( -1.348 -6.977 -0.832) 7.154 8.057 ( -4.408 1.892 -8.063) 9.382 8.258 ( 5.720 1.145 -3.406) 6.755 8.353 ( -2.617 1.454 3.015) 4.249 8.576 ( 2.045 -3.832 3.629) 5.660 8.650 ( 3.910 0.060 7.427) 8.393 8.808 ( -6.651 -7.432 1.342) 10.064 8.887 ( -1.495 0.568 -5.215) 5.454 8.982 ( -10.001 1.110 0.687) 10.086 9.238 ( -3.954 -2.048 -3.943) 5.947 9.311 ( -1.088 0.606 -1.298) 1.799 9.605 ( 0.576 2.118 4.794) 5.273 9.748 ( -0.675 -7.729 2.053) 8.026 9.810 ( 3.550 -3.183 -8.196) 9.482 9.954 ( 2.620 -3.483 1.433) 4.588 10.223 ( 6.740 4.607 -5.111) 9.632 10.611 ( -5.231 -1.934 0.060) 5.577 10.722 ( 11.424 -0.053 4.255) 12.191 11.176 ( -3.686 2.445 -5.778) 7.277 11.531 ( -3.592 8.098 6.216) 10.822 11.853 ( -1.867 -1.649 0.263) 2.505 12.085 ( -4.928 -4.554 -5.226) 8.505 12.639 ( 5.255 -7.806 -4.812) 10.569 13.409 ( 2.015 2.786 -5.879) 6.811 13.511 ( 8.882 15.613 38.864) 42.814 14.271 ( -8.755 -1.944 -20.152) 22.058 14.592 ( 10.535 2.460 -5.970) 12.356 15.053 ( -2.590 -1.773 8.752) 9.297 15.113 ( -0.293 -5.870 3.838) 7.020 15.318 ( -1.647 2.567 4.151) 5.151 16.496 ( 11.603 -3.352 -3.806) 12.663 16.684 ( -7.270 -4.788 -2.007) 8.933 16.726 ( -1.122 0.936 1.108) 1.834 17.047 ( -4.124 -4.194 3.270) 6.730 17.947 ( -3.855 -2.960 -4.458) 6.595 18.314 ( 1.069 1.224 0.178) 1.635 18.550 ( 3.170 -3.535 -7.619) 8.977 18.728 ( -5.798 -4.900 -1.547) 7.747 19.580 ( -20.972 -8.914 5.938) 23.549 19.741 ( 15.197 19.584 -9.628) 26.593 20.371 ( 2.942 6.560 -0.643) 7.218 21.263 ( 2.354 -5.096 -0.339) 5.624 22.363 ( -8.522 -5.765 6.298) 12.064 22.686 ( 0.917 0.069 1.987) 2.189 23.032 ( 4.882 5.319 -3.890) 8.201 23.180 ( 1.102 -0.525 1.278) 1.768 23.300 ( 1.180 -2.568 -3.665) 4.628 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 7.064 -16.301 8.400) 19.651 1.355 ( 14.396 -10.584 -7.822) 19.505 1.766 ( -7.894 0.792 2.142) 8.218 1.920 ( -3.308 0.823 -7.770) 8.485 2.189 ( -4.974 10.175 -0.836) 11.357 2.405 ( 0.174 -7.459 4.977) 8.969 2.619 ( 3.388 -12.648 7.521) 15.100 2.811 ( 9.837 0.983 -10.261) 14.249 3.067 ( 4.652 0.336 3.621) 5.905 3.259 ( 0.268 4.388 8.183) 9.289 3.376 ( 3.077 6.572 -2.344) 7.625 3.614 ( -14.342 -2.171 -3.741) 14.980 4.251 ( 0.506 1.369 2.786) 3.145 4.265 ( 1.528 -3.278 -4.199) 5.542 4.313 ( 2.591 -1.768 3.777) 4.909 4.645 ( 1.301 6.175 -2.323) 6.725 4.898 ( 11.321 -4.545 -1.824) 12.335 4.980 ( 6.792 -5.536 3.966) 9.618 5.064 ( -0.434 -1.250 3.273) 3.530 5.616 ( 9.080 -7.686 8.286) 14.497 5.642 ( 10.635 -9.748 -2.003) 14.565 5.863 ( 3.865 -1.409 -1.017) 4.237 6.154 ( -13.190 1.882 3.928) 13.891 6.330 ( -3.147 0.110 -2.691) 4.142 6.518 ( -7.643 1.504 -3.143) 8.399 6.722 ( -6.301 11.526 0.160) 13.137 6.845 ( 6.017 -5.194 -5.560) 9.701 7.008 ( -12.694 12.136 4.369) 18.098 7.065 ( 2.457 2.156 -1.018) 3.424 7.201 ( 1.075 4.260 -0.074) 4.394 7.455 ( -2.842 1.440 -3.489) 4.725 7.872 ( -8.947 3.598 -8.950) 13.157 7.930 ( -0.098 -4.827 -0.046) 4.828 8.256 ( 0.106 3.631 3.096) 4.773 8.370 ( -0.359 -4.099 0.370) 4.132 8.547 ( -6.338 1.394 -2.876) 7.098 8.594 ( 3.688 11.601 -3.471) 12.658 8.838 ( -2.132 -2.112 4.565) 5.463 8.916 ( 2.303 -4.625 6.279) 8.131 8.987 ( -1.670 -4.248 -0.526) 4.595 9.150 ( -6.493 -0.276 -1.558) 6.683 9.361 ( 1.166 -6.413 1.357) 6.658 9.702 ( 6.761 -3.928 0.070) 7.820 9.822 ( -5.332 -6.375 2.354) 8.637 9.868 ( 4.935 -1.081 -5.771) 7.670 10.005 ( 2.042 1.944 0.260) 2.831 10.212 ( 3.020 2.676 -1.748) 4.397 10.560 ( -3.890 0.793 0.876) 4.066 10.837 ( 4.616 0.853 3.203) 5.683 11.091 ( -0.001 1.277 -5.419) 5.567 11.413 ( -4.308 5.084 5.274) 8.498 11.840 ( -2.163 -0.690 -0.371) 2.300 12.089 ( -0.393 -3.043 -2.780) 4.141 12.754 ( 2.916 -3.536 -2.103) 5.042 13.372 ( 1.043 1.523 -3.048) 3.564 13.629 ( 9.795 10.547 29.466) 32.794 14.032 ( -10.526 -1.489 -24.278) 26.503 14.693 ( 7.844 -0.454 -2.514) 8.250 15.084 ( -0.905 -0.699 4.218) 4.370 15.217 ( 2.625 -3.431 2.330) 4.908 15.281 ( -3.019 0.440 2.130) 3.721 16.551 ( -3.130 -1.125 5.125) 6.110 16.683 ( 1.251 3.789 -4.393) 5.935 16.753 ( 6.759 -0.848 -4.845) 8.359 17.094 ( -10.583 -14.180 3.549) 18.046 17.953 ( 5.210 3.210 6.366) 8.831 18.233 ( -5.505 4.206 -1.668) 7.126 18.564 ( 1.486 1.654 -6.781) 7.136 18.779 ( 1.586 -5.931 0.410) 6.153 19.466 ( -9.956 -1.304 0.137) 10.042 19.644 ( 3.458 5.145 -4.541) 7.684 20.324 ( 2.451 4.128 -0.497) 4.827 21.336 ( 0.991 -2.607 -0.932) 2.941 22.368 ( -3.436 -2.142 2.599) 4.811 22.708 ( 1.077 0.363 1.768) 2.102 23.005 ( 1.443 1.959 -1.574) 2.898 23.208 ( 0.975 -0.326 1.246) 1.616 23.322 ( 0.086 -1.659 -2.308) 2.844 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.000 -0.000 -0.000) 0.000 1.496 ( 0.000 -0.000 0.000) 0.000 1.716 ( 0.000 -0.000 0.000) 0.000 1.951 ( 0.000 -0.000 0.000) 0.000 2.001 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 -0.000 0.000) 0.000 2.779 ( 0.000 -0.000 -0.000) 0.000 2.923 ( -0.000 0.000 0.000) 0.000 2.987 ( 0.000 -0.000 -0.000) 0.000 3.284 ( 0.000 -0.000 -0.000) 0.000 3.323 ( -0.000 -0.000 0.000) 0.000 3.521 ( 0.000 -0.000 0.000) 0.000 4.246 ( 0.000 0.000 -0.000) 0.000 4.268 ( -0.000 -0.000 0.000) 0.000 4.373 ( 0.000 -0.000 0.000) 0.000 4.599 ( 0.000 -0.000 0.000) 0.000 4.947 ( 0.000 -0.000 -0.000) 0.000 5.054 ( 0.000 -0.000 0.000) 0.000 5.240 ( 0.000 -0.000 0.000) 0.000 5.788 ( -0.000 -0.000 0.000) 0.000 5.846 ( -0.000 0.000 0.000) 0.000 5.923 ( 0.000 -0.000 -0.000) 0.000 5.952 ( -0.000 0.000 0.000) 0.000 6.264 ( 0.000 -0.000 0.000) 0.000 6.452 ( 0.000 -0.000 0.000) 0.000 6.587 ( 0.000 -0.000 0.000) 0.000 6.760 ( 0.000 -0.000 0.000) 0.000 6.926 ( 0.000 -0.000 0.000) 0.000 7.105 ( -0.000 -0.000 -0.000) 0.000 7.192 ( 0.000 -0.000 0.000) 0.000 7.419 ( 0.000 -0.000 0.000) 0.000 7.733 ( 0.000 -0.000 0.000) 0.000 7.968 ( 0.000 -0.000 -0.000) 0.000 8.251 ( 0.000 -0.000 0.000) 0.000 8.368 ( 0.000 -0.000 0.000) 0.000 8.493 ( 0.000 -0.000 -0.000) 0.000 8.518 ( 0.000 -0.000 0.000) 0.000 8.859 ( 0.000 -0.000 -0.000) 0.000 8.991 ( 0.000 -0.000 0.000) 0.000 8.999 ( 0.000 -0.000 0.000) 0.000 9.106 ( 0.000 -0.000 0.000) 0.000 9.445 ( 0.000 -0.000 0.000) 0.000 9.806 ( -0.000 -0.000 0.000) 0.000 9.820 ( 0.000 0.000 0.000) 0.000 9.892 ( 0.000 -0.000 -0.000) 0.000 9.986 ( 0.000 -0.000 0.000) 0.000 10.207 ( 0.000 -0.000 0.000) 0.000 10.527 ( 0.000 -0.000 0.000) 0.000 10.865 ( 0.000 -0.000 0.000) 0.000 11.073 ( 0.000 -0.000 0.000) 0.000 11.359 ( 0.000 -0.000 0.000) 0.000 11.828 ( 0.000 -0.000 0.000) 0.000 12.105 ( 0.000 -0.000 0.000) 0.000 12.791 ( 0.000 -0.000 0.000) 0.000 13.360 ( 0.000 -0.000 0.000) 0.000 13.751 ( 0.000 0.000 0.000) 0.000 13.850 ( -0.000 -0.000 -0.000) 0.000 14.741 ( 0.000 -0.000 0.000) 0.000 15.095 ( 0.000 -0.000 0.000) 0.000 15.258 ( -0.000 -0.000 -0.000) 0.000 15.276 ( 0.000 0.000 0.000) 0.000 16.579 ( 0.000 -0.000 0.000) 0.000 16.616 ( 0.000 -0.000 0.000) 0.000 16.778 ( 0.000 -0.000 0.000) 0.000 17.162 ( 0.000 -0.000 0.000) 0.000 18.047 ( 0.000 -0.000 0.000) 0.000 18.092 ( -0.000 -0.000 -0.000) 0.000 18.530 ( 0.000 -0.000 -0.000) 0.000 18.849 ( 0.000 -0.000 0.000) 0.000 19.406 ( 0.000 -0.000 -0.000) 0.000 19.619 ( 0.000 -0.000 0.000) 0.000 20.309 ( 0.000 -0.000 0.000) 0.000 21.357 ( 0.000 -0.000 0.000) 0.000 22.368 ( 0.000 -0.000 0.000) 0.000 22.717 ( 0.000 -0.000 0.000) 0.000 22.996 ( 0.000 -0.000 0.000) 0.000 23.221 ( 0.000 -0.000 0.000) 0.000 23.327 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 33.893 -0.000 -16.193) 37.562 0.750 ( 23.659 -0.000 12.227) 26.632 1.102 ( 32.567 -0.000 23.806) 40.340 1.909 ( -2.252 0.000 -9.048) 9.324 2.241 ( -19.007 0.000 -6.425) 20.063 2.500 ( -6.719 0.000 5.047) 8.403 2.528 ( 3.308 -0.000 0.488) 3.343 2.615 ( 6.526 -0.000 -3.380) 7.350 2.931 ( 5.501 -0.000 1.803) 5.789 3.429 ( -0.049 0.000 4.587) 4.588 3.570 ( 9.023 -0.000 3.211) 9.578 3.631 ( 22.791 -0.000 -6.496) 23.699 3.837 ( -13.086 0.000 -3.470) 13.538 4.315 ( -5.999 0.000 0.124) 6.000 4.508 ( 17.345 -0.000 -0.356) 17.349 4.514 ( -5.572 0.000 19.582) 20.360 4.872 ( -4.895 0.000 -7.166) 8.678 4.912 ( 4.484 -0.000 -5.105) 6.795 5.176 ( 6.511 -0.000 -2.759) 7.071 5.245 ( 10.963 -0.000 10.350) 15.076 5.531 ( 4.550 -0.000 7.292) 8.595 5.738 ( -2.535 0.000 7.417) 7.838 6.058 ( -4.265 0.000 -5.696) 7.115 6.174 ( -13.889 0.000 -1.075) 13.930 6.629 ( -7.506 0.000 4.539) 8.772 6.900 ( 4.448 -0.000 -13.282) 14.007 7.064 ( -2.339 0.000 -1.735) 2.912 7.201 ( -5.858 0.000 3.989) 7.087 7.393 ( -1.546 0.000 0.126) 1.551 7.438 ( 0.790 -0.000 -6.770) 6.816 7.574 ( -9.956 0.000 -4.496) 10.924 7.747 ( -7.944 0.000 -2.015) 8.196 8.138 ( -4.788 0.000 -10.757) 11.775 8.266 ( 0.134 -0.000 1.634) 1.640 8.287 ( -0.838 0.000 -0.916) 1.241 8.417 ( 5.705 -0.000 15.341) 16.367 8.528 ( 7.621 -0.000 1.821) 7.836 8.690 ( -13.828 0.000 -3.920) 14.372 9.004 ( 10.464 -0.000 -0.254) 10.467 9.050 ( -6.690 0.000 -0.849) 6.744 9.203 ( -1.231 0.000 3.082) 3.318 9.407 ( -9.552 0.000 -1.148) 9.621 9.427 ( -2.714 0.000 -12.150) 12.449 9.757 ( 8.762 -0.000 -3.653) 9.493 9.840 ( 0.813 -0.000 -0.246) 0.850 9.852 ( 3.209 -0.000 3.777) 4.956 10.316 ( 10.608 -0.000 -11.852) 15.906 10.604 ( -2.145 0.000 -0.350) 2.174 10.696 ( 9.943 -0.000 8.073) 12.807 11.192 ( -0.159 0.000 -5.136) 5.139 11.770 ( -2.234 0.000 2.817) 3.595 11.794 ( -0.432 0.000 -4.323) 4.344 11.845 ( -11.622 0.000 -1.613) 11.733 12.464 ( 8.235 -0.000 -0.702) 8.265 13.448 ( 0.322 -0.000 -3.778) 3.791 14.076 ( -13.779 0.000 57.032) 58.673 14.198 ( -3.159 0.000 -11.337) 11.769 14.608 ( 11.165 -0.000 -6.757) 13.051 14.816 ( -7.688 0.000 3.713) 8.538 15.052 ( 1.879 -0.000 4.867) 5.217 15.351 ( -1.734 0.000 0.028) 1.734 16.565 ( -4.737 0.000 4.205) 6.334 16.663 ( -4.356 0.000 -3.456) 5.560 16.735 ( 0.025 -0.000 0.458) 0.459 17.172 ( 14.199 -0.000 -41.177) 43.556 17.413 ( 13.913 -0.000 13.719) 19.540 18.245 ( 9.734 -0.000 4.267) 10.628 18.563 ( 4.857 -0.000 -1.635) 5.125 18.684 ( -5.318 0.000 -1.639) 5.565 19.378 ( -24.327 0.000 8.749) 25.853 20.319 ( 9.525 -0.000 -18.712) 20.996 20.491 ( 3.015 -0.000 -2.375) 3.838 21.067 ( -0.608 0.000 -0.476) 0.772 22.171 ( -4.905 0.000 15.865) 16.606 22.681 ( -0.322 0.000 3.796) 3.810 23.162 ( 1.258 -0.000 1.776) 2.176 23.174 ( 0.453 -0.000 -9.824) 9.834 23.251 ( 2.771 -0.000 -7.446) 7.945 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 26.725 2.604 3.432) 27.070 1.048 ( 27.156 -5.280 0.166) 27.665 1.772 ( -5.418 -3.370 -2.610) 6.893 1.844 ( 19.981 -18.978 9.988) 29.311 2.002 ( -8.631 2.549 -5.163) 10.375 2.490 ( -0.526 1.880 4.959) 5.329 2.522 ( 4.039 6.711 2.349) 8.177 2.719 ( 7.309 -4.856 -5.209) 10.204 3.036 ( 6.156 -1.846 3.243) 7.199 3.416 ( -1.394 3.864 3.680) 5.515 3.542 ( -6.961 1.327 -5.536) 8.992 3.639 ( -2.701 7.654 1.853) 8.326 3.982 ( 13.236 -10.678 -2.447) 17.181 4.244 ( -5.312 -0.781 0.552) 5.397 4.539 ( 6.709 8.907 10.353) 15.217 4.707 ( 7.623 -1.320 -0.821) 7.780 4.854 ( 9.092 -2.675 -2.912) 9.915 4.923 ( 4.841 2.186 -5.591) 7.712 5.203 ( 1.120 8.775 -2.260) 9.131 5.435 ( 4.033 -1.850 8.775) 9.834 5.465 ( 8.910 1.324 5.535) 10.572 5.907 ( 0.476 4.847 -2.117) 5.311 5.954 ( -6.611 -16.622 9.046) 20.045 6.162 ( -4.904 -9.573 -1.018) 10.804 6.524 ( -14.814 0.046 5.491) 15.799 6.821 ( 5.651 4.078 -15.636) 17.119 6.981 ( -11.242 -0.190 -1.580) 11.354 7.167 ( -3.875 -0.681 2.215) 4.515 7.200 ( 0.382 12.363 -8.034) 14.749 7.378 ( -12.752 4.269 -3.052) 13.789 7.531 ( 0.774 -1.146 1.808) 2.276 7.677 ( -5.712 -6.518 -2.702) 9.078 7.956 ( -10.504 2.600 -10.435) 15.032 8.200 ( -3.790 -1.985 -3.698) 5.656 8.364 ( -3.620 -5.035 0.603) 6.231 8.521 ( -9.670 -1.373 2.475) 10.076 8.592 ( 4.233 -3.962 9.490) 11.121 8.707 ( 7.356 -5.965 6.258) 11.351 8.965 ( 2.022 4.614 2.732) 5.730 9.067 ( 2.119 9.526 -3.262) 10.290 9.160 ( -2.535 0.416 -2.351) 3.482 9.286 ( -3.187 0.880 -2.224) 3.985 9.405 ( -8.305 -10.037 -1.350) 13.097 9.773 ( 1.571 1.752 0.376) 2.383 9.868 ( 7.984 1.191 0.433) 8.084 9.977 ( 5.433 -4.014 -0.318) 6.762 10.365 ( 9.787 4.154 -7.217) 12.850 10.575 ( 0.209 1.333 1.413) 1.953 10.810 ( -1.961 -3.536 3.829) 5.568 11.181 ( 4.593 2.687 -5.621) 7.740 11.612 ( -6.940 7.717 4.288) 11.230 11.801 ( 0.348 -2.208 -1.313) 2.593 11.865 ( -4.901 -10.288 -3.003) 11.785 12.581 ( 4.180 -4.918 -1.270) 6.578 13.416 ( 0.259 1.105 -5.662) 5.774 14.033 ( -3.548 4.612 -4.674) 7.463 14.075 ( -3.020 14.054 21.748) 26.070 14.747 ( 13.825 0.743 -8.069) 16.024 14.862 ( -10.230 -13.693 10.440) 20.029 15.112 ( 1.350 -1.224 5.441) 5.738 15.325 ( -1.888 0.620 1.045) 2.245 16.527 ( -8.644 -1.720 4.321) 9.816 16.609 ( 6.605 -0.554 -1.644) 6.828 16.738 ( -0.280 0.258 0.831) 0.914 17.040 ( 3.450 7.603 -15.903) 17.961 17.794 ( 5.910 -12.929 9.738) 17.232 18.418 ( 9.777 2.693 3.789) 10.826 18.575 ( -3.091 -0.816 -6.455) 7.203 18.638 ( 5.400 -0.041 2.401) 5.909 19.176 ( -23.242 -8.389 6.533) 25.558 20.147 ( 9.112 19.431 -16.351) 26.981 20.477 ( 2.648 4.274 -3.063) 5.887 21.152 ( -0.069 -9.920 -3.625) 10.562 22.239 ( -2.982 -4.829 8.197) 9.970 22.705 ( -0.075 -0.409 4.432) 4.452 23.096 ( -0.646 3.060 -5.878) 6.658 23.195 ( 1.372 -0.326 1.382) 1.975 23.258 ( 0.854 -2.082 -3.896) 4.499 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 14.765 -3.508 9.809) 18.070 1.445 ( 21.210 -3.552 -2.615) 21.664 1.638 ( -3.873 -2.384 -6.212) 7.698 1.895 ( 1.740 2.293 -3.397) 4.452 2.318 ( 2.546 8.616 -4.478) 10.038 2.413 ( 7.771 -5.716 10.834) 14.507 2.603 ( 6.324 -1.436 8.366) 10.585 2.859 ( 9.364 -4.145 -8.077) 13.043 3.049 ( -10.334 2.025 3.609) 11.132 3.328 ( -4.079 -0.859 -8.805) 9.742 3.417 ( -7.911 2.011 5.581) 9.888 3.580 ( 8.051 7.776 4.058) 11.906 4.152 ( -1.974 -5.702 -2.772) 6.641 4.220 ( -2.012 -2.388 -0.814) 3.227 4.526 ( 10.678 11.716 3.810) 16.303 4.784 ( 4.070 3.128 1.155) 5.261 4.928 ( 7.260 0.481 -5.192) 8.938 5.018 ( -1.706 7.097 2.175) 7.617 5.133 ( 14.893 -7.533 1.068) 16.724 5.629 ( 9.391 -8.931 0.201) 12.962 5.684 ( 8.664 -5.634 8.922) 13.653 5.908 ( 3.262 0.518 -0.496) 3.340 6.010 ( -11.412 -2.190 4.444) 12.441 6.239 ( -3.797 -5.087 1.960) 6.643 6.341 ( -12.801 -3.843 -2.462) 13.591 6.718 ( -11.536 5.908 -6.528) 14.512 6.838 ( 4.803 -0.765 -7.682) 9.093 7.051 ( -8.395 8.671 1.586) 12.173 7.111 ( -2.633 4.569 -2.263) 5.738 7.172 ( -3.030 -4.546 -3.969) 6.753 7.462 ( -5.546 7.112 1.599) 9.160 7.747 ( -5.773 -6.664 -2.887) 9.278 7.751 ( -6.800 -5.669 -7.476) 11.587 8.195 ( -2.938 -6.322 -1.626) 7.158 8.345 ( -2.907 2.065 -0.163) 3.569 8.468 ( -4.911 -1.609 3.738) 6.378 8.753 ( 0.061 -6.603 5.139) 8.367 8.773 ( -2.919 9.100 -2.257) 9.819 8.967 ( 1.807 1.389 5.518) 5.970 8.994 ( 5.062 -1.668 5.140) 7.404 9.083 ( -1.505 2.258 -2.568) 3.736 9.277 ( -0.574 -4.947 -1.871) 5.320 9.502 ( -4.807 -12.118 0.326) 13.041 9.809 ( 2.502 -1.545 -1.882) 3.491 9.933 ( 4.509 1.751 3.275) 5.841 10.098 ( 8.753 -1.261 -2.589) 9.215 10.348 ( 5.550 8.046 -3.684) 10.446 10.576 ( 1.491 2.389 2.867) 4.018 10.819 ( -3.994 -3.326 -0.283) 5.206 11.159 ( 4.994 4.586 -5.237) 8.567 11.452 ( -5.814 5.748 3.257) 8.800 11.834 ( 1.928 0.097 2.587) 3.227 11.951 ( -2.842 -10.109 -3.022) 10.927 12.674 ( -0.303 -5.426 -1.734) 5.704 13.374 ( -0.320 0.828 -3.688) 3.794 13.756 ( -12.821 1.698 -23.327) 26.673 14.094 ( 7.766 13.049 29.509) 33.187 14.828 ( 9.911 4.856 -3.891) 11.703 14.980 ( -6.521 -10.686 4.489) 13.299 15.166 ( -0.686 -2.239 2.407) 3.358 15.312 ( 0.963 1.049 2.290) 2.697 16.486 ( -6.474 -2.857 7.301) 10.167 16.723 ( -0.100 1.697 -0.728) 1.849 16.810 ( 1.467 -13.831 1.278) 13.968 16.867 ( 4.508 7.838 -11.839) 14.897 18.031 ( 2.531 -5.054 10.786) 12.178 18.352 ( 1.727 12.574 2.471) 12.930 18.503 ( -3.721 -0.419 -5.218) 6.423 18.825 ( 9.730 -2.110 1.701) 10.100 19.103 ( -16.056 -12.264 6.552) 21.239 19.929 ( 10.099 15.337 -12.604) 22.273 20.416 ( 1.821 5.445 -3.188) 6.568 21.256 ( 0.419 -7.514 -5.502) 9.323 22.301 ( -2.407 -3.517 5.236) 6.751 22.728 ( -0.359 0.003 2.933) 2.954 23.022 ( -1.257 1.732 -3.397) 4.015 23.211 ( 0.243 -0.347 -0.957) 1.046 23.291 ( 0.877 -2.248 0.217) 2.422 ======================= Grid point 13 (9/114) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -5.929 -4.304 -0.223) 7.330 1.642 ( 13.185 8.029 9.449) 18.099 1.789 ( 12.710 -1.524 -2.358) 13.017 1.932 ( 6.246 -1.912 -4.581) 7.979 2.066 ( -3.153 10.606 -6.482) 12.823 2.553 ( 9.285 5.382 0.261) 10.736 2.740 ( -9.811 -1.779 15.040) 18.045 2.869 ( -5.917 -1.207 -0.364) 6.050 3.020 ( 10.541 -1.889 -8.218) 13.499 3.214 ( -5.796 -0.037 -6.123) 8.431 3.320 ( -3.419 4.955 2.627) 6.568 3.660 ( 10.178 1.431 4.503) 11.221 4.151 ( -3.630 -3.253 -2.344) 5.409 4.236 ( -0.815 -2.380 0.199) 2.524 4.529 ( 7.422 8.330 3.142) 11.591 4.739 ( 6.008 11.719 2.613) 13.426 4.911 ( -2.118 0.303 3.428) 4.041 5.037 ( -1.035 -2.764 -7.655) 8.204 5.258 ( -1.118 6.249 -2.511) 6.827 5.794 ( -3.116 3.890 -0.181) 4.987 5.857 ( -9.650 1.012 3.313) 10.253 5.870 ( 4.642 -2.800 2.555) 5.993 5.998 ( 10.313 -6.554 0.061) 12.219 6.241 ( -1.819 -2.018 0.061) 2.717 6.385 ( 6.455 -9.448 -5.953) 12.899 6.527 ( -6.491 -1.542 -3.007) 7.319 6.816 ( -1.589 4.392 0.197) 4.675 6.892 ( 0.720 -1.902 -0.258) 2.050 7.052 ( -8.352 -0.647 1.777) 8.564 7.154 ( -4.468 0.576 -4.283) 6.216 7.354 ( -2.711 -4.972 1.318) 5.814 7.747 ( 1.128 -5.186 5.138) 7.387 7.834 ( -2.240 -9.635 -6.185) 11.666 8.224 ( -5.178 1.246 -5.104) 7.377 8.304 ( 0.738 -6.226 3.439) 7.151 8.456 ( -4.663 -0.485 4.078) 6.214 8.592 ( -2.925 5.069 -1.245) 5.983 8.816 ( -2.573 -3.012 -0.607) 4.008 9.011 ( 4.316 0.491 1.243) 4.518 9.047 ( 3.176 3.202 0.065) 4.510 9.139 ( 4.433 -2.973 5.044) 7.343 9.363 ( -1.599 -7.573 0.117) 7.741 9.577 ( -6.583 -8.289 -0.151) 10.586 9.823 ( -1.103 -1.211 -4.326) 4.626 9.957 ( 1.323 4.192 3.184) 5.428 10.187 ( 8.122 5.563 0.746) 9.873 10.273 ( 5.360 5.619 -2.298) 8.098 10.567 ( 1.307 3.270 2.803) 4.501 10.821 ( 0.312 -1.018 -2.409) 2.634 11.128 ( 2.224 3.150 -1.300) 4.069 11.358 ( -1.194 1.362 -1.240) 2.195 11.872 ( 2.942 1.793 3.879) 5.189 12.025 ( -3.296 -7.375 -2.096) 8.346 12.707 ( -4.146 -4.455 -1.022) 6.171 13.348 ( -1.604 -0.155 -0.939) 1.865 13.465 ( -12.044 -1.940 -22.802) 25.860 14.193 ( 8.951 9.250 26.133) 29.131 14.814 ( 2.923 6.941 0.236) 7.535 15.037 ( -3.293 -4.815 -1.012) 5.921 15.182 ( -2.180 -2.203 -0.319) 3.115 15.331 ( 1.865 1.258 -0.001) 2.249 16.524 ( -4.758 -4.924 10.237) 12.316 16.634 ( -1.137 3.341 -10.280) 10.869 16.745 ( -3.014 -0.486 -0.269) 3.065 17.149 ( 13.208 -11.627 0.194) 17.598 18.026 ( -4.911 7.458 -4.146) 9.845 18.271 ( 4.244 5.931 3.690) 8.174 18.486 ( 0.551 -2.013 5.591) 5.968 18.859 ( -4.877 -1.312 -0.548) 5.080 19.196 ( -3.090 -7.689 10.171) 13.119 19.845 ( 12.498 8.602 -8.656) 17.468 20.341 ( 0.552 4.590 -3.058) 5.543 21.316 ( 0.372 -4.287 -5.276) 6.808 22.342 ( -1.543 -2.650 3.849) 4.921 22.719 ( -1.217 1.020 0.063) 1.589 22.981 ( -1.545 -0.205 -1.434) 2.118 23.205 ( -0.829 -0.461 -1.843) 2.073 23.334 ( 0.969 -0.812 2.085) 2.439 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -0.848 7.660 2.762) 8.187 1.519 ( 0.698 23.049 0.270) 23.061 1.785 ( 3.406 -2.619 -4.077) 5.923 1.999 ( 5.664 -0.233 2.550) 6.216 2.183 ( 10.258 -8.493 1.617) 13.415 2.530 ( -0.740 3.694 1.736) 4.148 2.674 ( -3.931 8.118 -1.328) 9.116 2.764 ( -4.599 2.279 3.480) 6.202 2.968 ( -4.827 9.322 -5.155) 11.695 3.229 ( 2.419 -0.848 -4.485) 5.165 3.289 ( 0.263 -5.552 2.014) 5.912 3.794 ( 6.579 -0.089 0.356) 6.590 4.155 ( -2.377 -3.411 0.796) 4.233 4.266 ( -0.163 -1.082 4.120) 4.263 4.442 ( 2.336 12.392 -1.437) 12.692 4.689 ( 6.133 7.037 3.427) 9.943 4.776 ( -16.692 6.774 -7.015) 19.332 4.983 ( 5.394 0.347 -0.263) 5.412 5.125 ( -0.041 5.676 -2.806) 6.332 5.583 ( -11.358 8.702 -3.421) 14.711 5.642 ( -11.420 10.243 -1.276) 15.394 5.875 ( -0.999 2.323 3.893) 4.642 6.200 ( 1.437 -2.512 -5.245) 5.991 6.321 ( 3.421 -7.740 -1.155) 8.541 6.509 ( 1.045 -8.378 1.287) 8.541 6.646 ( 11.358 -7.744 -5.143) 14.678 6.812 ( -6.410 -4.386 3.881) 8.683 6.955 ( -5.969 -2.070 2.483) 6.788 7.091 ( 6.201 -2.330 -1.174) 6.728 7.132 ( 12.102 -8.294 2.152) 14.829 7.442 ( -2.317 -6.463 6.808) 9.669 7.843 ( -5.744 -7.934 -5.518) 11.242 7.973 ( 7.885 -5.366 9.028) 13.133 8.148 ( -4.944 -4.379 -4.970) 8.265 8.340 ( -6.874 0.623 -2.957) 7.509 8.445 ( -1.672 -6.545 5.336) 8.608 8.583 ( 0.805 -1.979 -0.077) 2.138 8.799 ( -1.655 -1.610 -6.301) 6.711 9.055 ( 2.970 2.037 4.013) 5.392 9.083 ( 12.554 4.277 0.621) 13.277 9.247 ( 5.563 -1.086 2.625) 6.247 9.389 ( -2.854 0.731 -0.090) 2.947 9.584 ( -7.398 -3.418 1.432) 8.275 9.759 ( -4.653 -1.144 -9.550) 10.685 9.887 ( -4.397 4.110 6.054) 8.537 10.167 ( 3.465 5.638 2.848) 7.204 10.269 ( 6.740 9.433 -2.328) 11.825 10.560 ( -3.462 -1.695 0.945) 3.969 10.835 ( 8.667 4.592 -0.380) 9.815 11.131 ( 1.356 -0.045 3.644) 3.888 11.366 ( 2.139 -3.070 -4.688) 5.999 11.880 ( -0.774 1.109 0.321) 1.390 12.071 ( -0.706 -4.609 -0.440) 4.684 12.694 ( -5.914 -2.755 1.510) 6.696 13.232 ( -11.501 -4.942 -17.668) 21.653 13.363 ( -0.646 -1.723 -2.449) 3.063 14.338 ( 8.455 4.657 22.837) 24.793 14.709 ( -2.315 9.573 3.737) 10.535 15.035 ( -2.160 -2.282 -4.418) 5.421 15.176 ( -2.183 -0.942 -0.420) 2.414 15.300 ( -0.000 1.732 -6.183) 6.421 16.537 ( -1.732 -0.130 -1.549) 2.327 16.635 ( -0.545 -6.000 2.291) 6.445 16.731 ( -1.345 -0.377 2.808) 3.136 17.403 ( 14.428 5.529 -2.743) 15.692 17.823 ( -3.659 1.681 -5.852) 7.104 18.252 ( -0.885 -0.276 -1.765) 1.994 18.609 ( 4.319 -2.088 9.909) 11.009 18.817 ( -4.167 -2.073 1.075) 4.777 19.299 ( -3.945 -4.257 11.696) 13.057 19.880 ( 13.492 5.173 -5.234) 15.368 20.273 ( -1.084 2.061 -2.436) 3.370 21.326 ( -0.784 -0.873 -4.305) 4.462 22.388 ( 0.720 -2.629 1.682) 3.203 22.681 ( -1.756 0.644 -1.291) 2.272 22.961 ( -2.478 -0.757 -0.291) 2.607 23.187 ( -1.016 -0.155 -1.543) 1.854 23.354 ( 0.285 0.889 2.219) 2.407 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 1.206 24.427 -2.364) 24.571 1.201 ( -2.916 24.506 5.183) 25.218 1.955 ( 9.244 -3.189 -3.894) 10.525 2.116 ( 3.526 -7.869 8.934) 12.417 2.258 ( -1.605 24.214 -4.082) 24.608 2.459 ( -2.499 -3.762 -0.706) 4.572 2.558 ( 1.349 0.036 -1.212) 1.814 2.647 ( -5.182 9.532 1.995) 11.032 2.768 ( -1.064 -0.449 0.202) 1.172 3.265 ( 1.004 -3.242 -1.334) 3.647 3.349 ( -0.134 -0.240 -0.945) 0.985 3.745 ( -9.642 1.908 -4.049) 10.630 4.102 ( -4.613 9.081 1.461) 10.290 4.299 ( 0.590 0.047 5.082) 5.116 4.356 ( 6.770 4.144 -4.143) 8.954 4.561 ( 1.541 2.180 -2.392) 3.584 4.737 ( 5.117 -1.418 4.090) 6.702 4.958 ( -4.673 2.605 -4.363) 6.903 5.077 ( 0.253 3.197 -0.449) 3.238 5.301 ( -12.020 10.431 -5.857) 16.958 5.355 ( -4.671 4.949 1.934) 7.074 5.914 ( 2.528 -1.734 6.309) 7.014 6.116 ( -6.269 -1.856 -7.183) 9.713 6.474 ( 5.949 -2.585 -2.128) 6.826 6.619 ( -3.715 0.802 2.085) 4.335 6.699 ( 3.153 -0.011 -2.937) 4.309 6.941 ( -0.941 -11.204 4.204) 12.004 7.027 ( -2.652 -5.971 0.754) 6.577 7.114 ( 11.931 -3.480 0.012) 12.428 7.483 ( -11.103 -5.537 5.079) 13.407 7.586 ( 21.780 -11.017 1.448) 24.451 7.880 ( 1.768 -5.236 -3.038) 6.306 8.067 ( -11.950 -2.409 2.211) 12.389 8.148 ( -1.447 -1.905 5.036) 5.575 8.338 ( 4.959 -6.437 -1.848) 8.333 8.524 ( -3.194 -4.082 0.810) 5.246 8.561 ( -2.631 0.773 -5.391) 6.049 8.777 ( -0.488 -1.884 -3.924) 4.380 9.106 ( 7.107 5.764 5.422) 10.637 9.226 ( 13.795 3.534 2.885) 14.530 9.303 ( 1.131 1.647 -1.195) 2.328 9.359 ( 2.700 1.214 6.092) 6.773 9.475 ( -5.545 0.485 -7.291) 9.173 9.707 ( -6.014 -5.893 -4.158) 9.391 9.815 ( -3.867 2.930 6.365) 8.004 10.136 ( -2.421 3.857 -2.340) 5.120 10.174 ( 6.762 8.883 1.811) 11.310 10.482 ( -10.869 -0.806 -1.995) 11.080 10.902 ( 13.625 10.449 4.648) 17.789 11.215 ( 3.842 -3.826 6.441) 8.419 11.418 ( -0.669 -5.552 -5.480) 7.830 11.837 ( -3.852 -2.149 -4.577) 6.356 12.135 ( 1.422 -2.922 0.113) 3.252 12.670 ( -3.265 -0.017 6.365) 7.153 13.075 ( -9.317 -4.436 -18.323) 21.029 13.382 ( -0.310 -2.377 0.205) 2.405 14.504 ( -0.747 -2.329 8.224) 8.580 14.553 ( 3.425 11.632 12.404) 17.347 15.012 ( -1.221 -1.670 -5.693) 6.058 15.145 ( -0.783 1.668 -1.558) 2.413 15.247 ( -1.620 -1.407 -6.889) 7.216 16.483 ( -3.645 4.524 1.319) 5.958 16.698 ( -0.222 -1.990 -0.280) 2.022 16.788 ( 2.372 -3.996 4.273) 6.312 17.271 ( 6.383 20.016 -6.908) 22.116 17.886 ( -1.375 -9.579 -0.962) 9.725 18.302 ( 4.591 -5.854 0.687) 7.471 18.689 ( 2.898 3.855 6.403) 8.016 18.870 ( 4.079 -4.844 3.093) 7.047 19.331 ( -10.427 -4.685 6.590) 13.194 19.952 ( 12.457 6.845 -1.529) 14.296 20.248 ( -2.208 -4.081 -1.161) 4.783 21.269 ( -2.549 2.827 -3.385) 5.094 22.463 ( 5.413 -3.093 -1.951) 6.532 22.653 ( -2.106 -0.626 0.479) 2.249 22.925 ( -4.836 -0.115 0.333) 4.848 23.169 ( -0.630 0.298 -0.847) 1.097 23.339 ( -0.473 2.366 1.583) 2.886 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -0.000 25.891 -0.000) 25.891 0.810 ( -0.000 27.979 -0.000) 27.979 1.609 ( -0.000 51.286 -0.000) 51.286 1.986 ( -0.000 1.759 -0.000) 1.759 2.368 ( 0.000 -9.041 0.000) 9.041 2.460 ( 0.000 -5.997 0.000) 5.997 2.532 ( 0.000 -5.146 0.000) 5.146 2.616 ( -0.000 5.731 -0.000) 5.731 2.899 ( 0.000 -11.998 0.000) 11.998 3.246 ( -0.000 10.012 -0.000) 10.012 3.328 ( 0.000 -4.127 0.000) 4.127 3.572 ( -0.000 9.184 -0.000) 9.184 3.923 ( -0.000 8.478 -0.000) 8.478 4.348 ( 0.000 -2.544 0.000) 2.544 4.364 ( 0.000 -2.281 0.000) 2.281 4.580 ( -0.000 2.727 -0.000) 2.727 4.827 ( -0.000 2.405 -0.000) 2.405 4.934 ( 0.000 -14.492 0.000) 14.492 4.978 ( -0.000 5.641 -0.000) 5.641 5.092 ( -0.000 4.569 -0.000) 4.569 5.289 ( -0.000 5.141 -0.000) 5.141 5.963 ( -0.000 2.114 -0.000) 2.114 6.120 ( 0.000 -6.032 0.000) 6.032 6.475 ( -0.000 11.985 -0.000) 11.985 6.500 ( -0.000 1.049 -0.000) 1.049 6.758 ( 0.000 -4.037 0.000) 4.037 7.049 ( 0.000 -2.086 0.000) 2.086 7.105 ( 0.000 -10.473 0.000) 10.473 7.382 ( 0.000 -6.554 0.000) 6.554 7.424 ( 0.000 -6.938 0.000) 6.938 7.866 ( -0.000 4.897 -0.000) 4.897 7.969 ( 0.000 -9.426 0.000) 9.426 7.984 ( 0.000 -3.064 0.000) 3.064 8.159 ( 0.000 -1.089 0.000) 1.089 8.436 ( -0.000 4.758 -0.000) 4.758 8.502 ( 0.000 -5.762 0.000) 5.762 8.548 ( -0.000 0.203 -0.000) 0.203 8.806 ( 0.000 -5.196 0.000) 5.196 9.000 ( -0.000 13.984 -0.000) 13.984 9.292 ( -0.000 1.883 -0.000) 1.883 9.316 ( -0.000 3.319 -0.000) 3.319 9.379 ( -0.000 0.951 -0.000) 0.951 9.451 ( 0.000 -6.041 0.000) 6.041 9.749 ( 0.000 -6.126 0.000) 6.126 9.762 ( -0.000 3.680 -0.000) 3.680 10.100 ( 0.000 -1.333 0.000) 1.333 10.158 ( -0.000 1.901 -0.000) 1.901 10.355 ( -0.000 2.576 -0.000) 2.576 10.852 ( -0.000 11.742 -0.000) 11.742 11.380 ( 0.000 -3.869 0.000) 3.869 11.443 ( 0.000 -8.705 0.000) 8.705 11.827 ( 0.000 -1.490 0.000) 1.490 12.173 ( 0.000 -1.456 0.000) 1.456 12.709 ( 0.000 -1.793 0.000) 1.793 12.921 ( -0.000 3.877 -0.000) 3.877 13.419 ( 0.000 -2.739 0.000) 2.739 14.384 ( -0.000 7.660 -0.000) 7.660 14.695 ( 0.000 -8.211 0.000) 8.211 15.001 ( 0.000 -0.418 0.000) 0.418 15.112 ( -0.000 1.367 -0.000) 1.367 15.232 ( 0.000 -1.732 0.000) 1.732 16.328 ( -0.000 12.648 -0.000) 12.648 16.715 ( 0.000 -1.027 0.000) 1.027 16.885 ( 0.000 -3.662 0.000) 3.662 17.037 ( -0.000 13.772 -0.000) 13.772 17.981 ( 0.000 -6.454 0.000) 6.454 18.459 ( 0.000 -6.160 0.000) 6.160 18.701 ( 0.000 -0.616 0.000) 0.616 19.142 ( 0.000 -14.092 0.000) 14.092 19.169 ( -0.000 5.781 -0.000) 5.781 19.920 ( -0.000 9.803 -0.000) 9.803 20.329 ( 0.000 -7.972 0.000) 7.972 21.173 ( -0.000 5.092 -0.000) 5.092 22.596 ( 0.000 -6.576 0.000) 6.576 22.645 ( 0.000 -0.772 0.000) 0.772 22.848 ( -0.000 3.072 -0.000) 3.072 23.156 ( -0.000 0.584 -0.000) 0.584 23.299 ( -0.000 3.121 -0.000) 3.121 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 32.362 -0.000 -10.222) 33.938 1.351 ( 3.864 -0.000 8.428) 9.272 1.652 ( 1.065 -0.000 -6.970) 7.051 1.963 ( 1.667 -0.000 -2.030) 2.626 2.082 ( 22.961 -0.000 21.155) 31.221 2.574 ( 5.634 -0.000 5.378) 7.789 2.631 ( 3.754 -0.000 -1.082) 3.907 2.765 ( 10.599 -0.000 -7.977) 13.265 3.085 ( -3.033 0.000 7.718) 8.293 3.277 ( -13.903 0.000 -12.802) 18.900 3.442 ( -2.686 0.000 4.275) 5.049 3.791 ( 2.440 -0.000 4.987) 5.552 3.986 ( 1.100 -0.000 2.231) 2.487 4.176 ( -2.646 0.000 -1.942) 3.282 4.716 ( 3.888 -0.000 -6.976) 7.986 4.851 ( 19.085 -0.000 10.070) 21.579 4.903 ( 10.034 -0.000 -9.133) 13.568 5.115 ( 16.226 -0.000 2.039) 16.354 5.309 ( 5.738 -0.000 -3.646) 6.798 5.456 ( -7.858 0.000 4.544) 9.077 5.607 ( 6.220 -0.000 3.714) 7.245 5.733 ( -5.166 0.000 12.916) 13.910 5.947 ( 0.196 -0.000 -7.048) 7.051 6.078 ( 0.839 -0.000 11.611) 11.641 6.337 ( -19.571 0.000 5.974) 20.463 6.775 ( -16.050 0.000 -4.662) 16.714 6.840 ( 6.675 -0.000 -15.223) 16.622 7.058 ( -9.828 0.000 -3.272) 10.358 7.241 ( -4.338 0.000 -3.608) 5.642 7.346 ( -0.334 0.000 -8.468) 8.474 7.403 ( -3.436 0.000 -11.057) 11.578 7.625 ( -4.232 0.000 10.878) 11.673 7.721 ( -17.580 0.000 -12.175) 21.384 8.151 ( -5.490 0.000 0.721) 5.537 8.220 ( -2.085 0.000 -0.298) 2.106 8.454 ( -4.465 0.000 5.857) 7.365 8.724 ( 3.966 -0.000 0.140) 3.969 8.765 ( 5.370 -0.000 14.053) 15.044 9.038 ( -11.070 0.000 -8.028) 13.675 9.080 ( 7.342 -0.000 3.100) 7.970 9.125 ( -5.871 0.000 2.606) 6.423 9.237 ( -1.905 0.000 -2.210) 2.917 9.320 ( 2.183 -0.000 3.395) 4.036 9.753 ( -2.348 0.000 -3.549) 4.255 9.963 ( 3.728 -0.000 2.999) 4.785 10.039 ( 11.261 -0.000 -3.861) 11.904 10.488 ( 9.236 -0.000 -4.684) 10.356 10.637 ( 5.283 -0.000 0.236) 5.288 10.706 ( -6.742 0.000 -0.064) 6.743 11.232 ( 3.538 -0.000 -6.202) 7.140 11.590 ( -8.165 0.000 0.337) 8.172 11.718 ( -4.022 0.000 3.232) 5.159 11.832 ( 4.999 -0.000 3.300) 5.990 12.590 ( 2.726 -0.000 -0.725) 2.821 13.390 ( -0.598 0.000 -5.477) 5.510 13.792 ( -13.285 0.000 -23.926) 27.367 14.445 ( 2.942 -0.000 32.667) 32.799 14.628 ( -5.232 0.000 3.756) 6.441 14.929 ( 13.635 -0.000 -4.222) 14.274 15.138 ( -1.169 0.000 6.444) 6.549 15.314 ( -1.093 0.000 1.595) 1.933 16.442 ( -7.793 0.000 5.201) 9.369 16.618 ( 1.609 -0.000 -1.678) 2.324 16.738 ( -0.082 0.000 0.114) 0.140 17.071 ( 3.585 -0.000 -17.320) 17.688 17.875 ( 2.775 -0.000 21.933) 22.108 18.452 ( -7.245 0.000 -6.286) 9.592 18.662 ( 14.113 -0.000 5.159) 15.026 18.722 ( 6.414 -0.000 -0.450) 6.430 18.904 ( -11.418 0.000 8.160) 14.034 20.270 ( 3.992 -0.000 -20.472) 20.857 20.514 ( 2.198 -0.000 -6.739) 7.089 21.039 ( -1.057 0.000 -0.510) 1.174 22.238 ( 0.670 -0.000 5.933) 5.970 22.722 ( -0.783 0.000 4.787) 4.851 23.056 ( -2.788 0.000 -5.745) 6.386 23.222 ( -0.239 0.000 -3.668) 3.676 23.233 ( 2.223 -0.000 3.214) 3.908 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -12.844 -3.561 -2.511) 13.563 1.684 ( 23.605 -2.386 -7.134) 24.774 1.749 ( 12.640 1.445 4.230) 13.407 2.002 ( 10.022 4.219 -1.775) 11.018 2.448 ( 6.308 3.292 6.340) 9.530 2.529 ( 4.797 3.857 4.702) 7.746 2.740 ( 6.799 -2.522 4.110) 8.335 2.844 ( -11.437 2.578 -1.137) 11.779 2.938 ( 3.495 -4.233 -7.141) 9.007 3.209 ( 0.662 -0.041 -4.267) 4.318 3.426 ( -2.420 0.984 3.888) 4.684 3.785 ( 3.690 6.711 5.954) 9.701 4.027 ( -5.070 -5.752 4.370) 8.825 4.167 ( 0.462 -1.829 -2.253) 2.939 4.783 ( 9.671 0.224 -4.844) 10.819 4.890 ( 7.219 6.573 -6.267) 11.602 5.078 ( -4.752 6.356 0.548) 7.955 5.149 ( 16.758 8.146 4.800) 19.241 5.295 ( 10.494 7.320 0.843) 12.822 5.602 ( 8.983 -12.464 0.159) 15.364 5.756 ( 6.248 -4.172 7.769) 10.808 5.851 ( -4.097 -7.195 8.768) 12.060 5.919 ( -2.057 -1.508 -2.501) 3.572 6.133 ( -10.401 -1.904 0.898) 10.612 6.177 ( -0.095 -3.217 7.408) 8.077 6.537 ( -16.671 -0.098 -5.423) 17.531 6.843 ( 2.136 0.289 -8.841) 9.100 6.931 ( -8.784 -5.043 -6.742) 12.168 7.104 ( -2.383 9.562 -6.053) 11.565 7.173 ( -2.096 5.594 -2.674) 6.545 7.410 ( -15.272 1.711 -8.887) 17.752 7.466 ( -6.322 -11.429 -5.620) 14.219 7.637 ( -1.859 -2.964 2.823) 4.496 8.126 ( 0.196 -2.118 3.464) 4.065 8.261 ( -2.941 -4.851 -1.439) 5.853 8.437 ( -2.861 -0.190 3.971) 4.898 8.640 ( -14.115 1.033 -2.289) 14.337 8.834 ( -1.305 3.884 2.195) 4.648 8.969 ( -0.318 -4.535 3.486) 5.729 9.024 ( -3.522 0.758 4.533) 5.791 9.213 ( 8.111 3.337 3.228) 9.346 9.241 ( 2.833 -0.768 -1.400) 3.252 9.348 ( -1.260 -3.693 4.664) 6.081 9.748 ( -1.988 -4.282 -2.964) 5.574 10.034 ( 6.142 1.401 0.257) 6.305 10.149 ( 5.480 -3.436 -3.987) 7.598 10.504 ( 5.479 7.412 -2.597) 9.576 10.663 ( 3.278 1.034 2.571) 4.292 10.743 ( 4.341 -3.752 -2.421) 6.228 11.208 ( 0.831 1.404 -6.869) 7.060 11.459 ( -6.236 4.289 1.194) 7.662 11.748 ( -5.832 -8.568 2.156) 10.586 11.929 ( 6.923 1.503 5.950) 9.251 12.618 ( 0.130 -1.396 -0.567) 1.513 13.351 ( -1.117 0.183 -3.585) 3.759 13.463 ( -15.541 0.749 -24.609) 29.115 14.481 ( 3.699 9.798 19.088) 21.772 14.783 ( -0.275 -10.642 7.525) 13.037 15.018 ( 8.926 6.219 -2.011) 11.062 15.151 ( -1.950 -0.591 3.792) 4.305 15.335 ( 0.822 -1.467 3.247) 3.657 16.394 ( -7.065 -3.036 5.903) 9.694 16.665 ( 0.043 -2.852 -3.393) 4.433 16.735 ( -0.169 0.290 -0.118) 0.356 16.994 ( 6.129 3.074 -8.474) 10.901 17.983 ( -9.828 -6.165 13.454) 17.765 18.328 ( -7.138 -0.310 -5.381) 8.944 18.692 ( 9.272 8.652 4.199) 13.359 18.782 ( -3.879 -0.941 1.764) 4.364 19.074 ( 14.777 -2.868 11.809) 19.132 20.120 ( 4.742 9.113 -18.907) 21.518 20.471 ( 0.414 3.080 -5.213) 6.069 21.097 ( -0.946 -8.748 -3.229) 9.373 22.287 ( 0.863 -0.899 4.351) 4.525 22.731 ( -1.616 -0.103 3.084) 3.484 22.986 ( -3.067 0.339 -3.972) 5.030 23.195 ( -0.748 -0.017 -2.656) 2.759 23.294 ( 2.224 -1.377 3.171) 4.110 ======================= Grid point 21 (15/114) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -7.594 -11.368 -3.027) 14.002 1.872 ( 7.591 1.690 -4.236) 8.855 1.922 ( 9.440 -3.217 0.842) 10.009 2.049 ( 5.210 3.182 -0.169) 6.107 2.184 ( -0.370 19.182 -4.904) 19.803 2.614 ( -13.338 2.589 5.907) 14.816 2.720 ( 6.638 -1.633 5.554) 8.808 2.903 ( 7.721 -1.046 5.946) 9.801 3.060 ( 6.493 -1.085 -8.361) 10.641 3.153 ( 1.485 1.301 -6.330) 6.631 3.374 ( -2.483 5.428 2.852) 6.615 3.795 ( 3.505 2.433 3.324) 5.409 4.076 ( -0.599 -3.063 3.906) 5.000 4.209 ( 1.311 -2.540 2.500) 3.797 4.751 ( 2.460 9.467 -0.703) 9.806 4.895 ( -6.353 0.598 -7.916) 10.168 4.973 ( 7.390 3.136 2.747) 8.485 5.135 ( 13.569 19.359 3.527) 23.903 5.341 ( 1.900 5.222 -1.857) 5.859 5.719 ( -9.758 -2.119 -1.565) 10.107 5.826 ( -1.395 3.051 2.058) 3.936 5.907 ( 0.677 -1.388 6.124) 6.315 5.998 ( 7.900 -8.920 -0.457) 11.924 6.155 ( -4.181 -2.133 -4.248) 6.330 6.309 ( 0.795 -10.784 -0.421) 10.821 6.402 ( 1.740 -4.733 0.340) 5.054 6.712 ( -13.366 -0.457 -6.023) 14.668 6.922 ( -10.011 0.959 -0.638) 10.077 6.979 ( 9.870 -1.140 2.299) 10.198 7.067 ( -1.440 -2.061 -6.027) 6.530 7.286 ( -1.774 -0.892 0.353) 2.017 7.521 ( -8.212 -12.540 -1.148) 15.033 7.741 ( 4.280 -9.015 -2.278) 10.236 8.136 ( -9.673 2.332 -5.624) 11.429 8.231 ( -1.773 -4.633 3.477) 6.057 8.420 ( -3.993 0.081 2.531) 4.728 8.504 ( -6.907 -4.516 0.854) 8.297 8.768 ( -4.817 1.220 -1.414) 5.166 8.987 ( 0.419 -5.989 -0.904) 6.072 9.138 ( 1.546 -5.317 6.646) 8.650 9.202 ( 4.484 5.078 0.936) 6.838 9.340 ( 5.858 -0.190 0.678) 5.901 9.441 ( -0.364 -4.991 6.500) 8.203 9.748 ( -3.560 -1.819 -2.327) 4.626 10.011 ( -2.692 3.192 -4.574) 6.193 10.253 ( 3.459 -3.665 0.142) 5.042 10.463 ( 9.297 8.691 -2.959) 13.067 10.672 ( 0.531 5.312 4.886) 7.237 10.865 ( 10.279 -2.350 -2.234) 10.779 11.162 ( 0.241 1.208 -4.080) 4.262 11.357 ( -2.004 2.154 0.178) 2.947 11.792 ( -9.246 -9.027 -0.841) 12.949 12.016 ( 6.941 3.414 6.432) 10.060 12.622 ( -2.128 -1.238 0.611) 2.537 13.146 ( -14.008 -1.251 -20.887) 25.180 13.328 ( -0.958 -0.704 -1.824) 2.177 14.531 ( 4.805 5.962 19.027) 20.510 14.894 ( 1.449 -1.803 -8.085) 8.409 15.002 ( 2.238 4.788 8.404) 9.928 15.146 ( -1.743 -0.222 1.786) 2.505 15.368 ( 1.025 1.970 0.165) 2.227 16.421 ( -6.241 -7.042 7.073) 11.772 16.575 ( -2.808 3.283 -8.690) 9.705 16.728 ( -0.322 0.205 0.225) 0.443 17.181 ( 14.513 -10.211 0.362) 17.749 17.960 ( -12.307 -5.299 1.722) 13.509 18.238 ( -5.937 -1.989 -2.604) 6.781 18.619 ( 0.485 10.842 -1.852) 11.010 18.812 ( 3.564 1.856 8.521) 9.421 19.322 ( 11.491 1.945 15.363) 19.283 19.996 ( 6.090 4.813 -15.475) 17.313 20.396 ( 0.204 4.008 -3.591) 5.385 21.189 ( -0.832 -8.261 -4.908) 9.645 22.326 ( -0.004 -0.777 4.047) 4.121 22.712 ( -2.063 0.839 0.235) 2.240 22.938 ( -2.376 -0.838 -1.975) 3.202 23.175 ( -0.962 -0.467 -1.934) 2.210 23.351 ( 1.597 -0.808 2.637) 3.187 ======================= Grid point 22 (16/114) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 5.848 -16.948 0.986) 17.956 1.727 ( -6.160 10.839 -3.830) 13.042 1.922 ( 2.567 19.787 1.007) 19.978 2.026 ( -0.011 -0.909 -6.208) 6.274 2.126 ( 0.728 -9.529 3.984) 10.354 2.540 ( 1.762 1.882 4.605) 5.277 2.761 ( -4.176 7.156 -0.599) 8.307 2.855 ( 5.696 8.975 0.577) 10.645 3.133 ( 6.798 1.355 -0.903) 6.990 3.225 ( -0.524 2.921 -0.902) 3.102 3.236 ( 0.467 0.238 -0.916) 1.056 3.792 ( -2.912 0.910 -1.359) 3.340 4.125 ( 0.640 -0.500 2.345) 2.482 4.286 ( -0.351 -1.411 7.501) 7.641 4.611 ( -6.224 3.256 -3.587) 7.887 4.723 ( 6.301 12.505 -4.710) 14.773 5.032 ( 11.719 17.998 5.608) 22.197 5.088 ( 7.063 2.522 -1.142) 7.586 5.182 ( -4.145 8.822 -3.074) 10.221 5.502 ( -12.511 5.274 -1.168) 13.627 5.684 ( -7.261 13.497 -2.668) 15.556 5.911 ( -2.052 0.631 5.099) 5.533 6.086 ( -7.156 -0.015 -5.649) 9.117 6.243 ( 8.062 -11.001 -3.967) 14.204 6.373 ( -0.347 -11.295 0.671) 11.321 6.617 ( -5.395 -10.169 1.816) 11.654 6.705 ( 11.161 -9.072 -1.306) 14.442 6.833 ( -7.632 -2.506 2.326) 8.363 7.087 ( 3.254 -2.235 -3.701) 5.411 7.255 ( 8.398 -7.911 3.831) 12.157 7.330 ( 4.499 -6.070 6.154) 9.744 7.595 ( -5.376 -11.570 -1.514) 12.847 7.874 ( -9.535 -7.613 -9.735) 15.610 8.032 ( 0.239 -8.399 6.487) 10.615 8.259 ( -2.344 0.041 -3.093) 3.881 8.400 ( -1.420 -1.833 4.806) 5.336 8.543 ( 0.936 -3.728 -0.126) 3.846 8.686 ( -5.853 -2.648 -4.887) 8.072 9.118 ( 3.994 -5.036 0.677) 6.463 9.206 ( -0.620 -3.705 0.339) 3.772 9.272 ( 6.620 -2.040 4.147) 8.074 9.387 ( 0.940 0.153 1.378) 1.675 9.525 ( 1.724 0.215 5.827) 6.080 9.664 ( -5.550 2.401 -5.593) 8.237 9.890 ( -4.853 2.339 -2.096) 5.780 10.288 ( 1.807 5.038 0.654) 5.392 10.437 ( 5.763 5.739 -4.713) 9.400 10.577 ( -3.269 8.718 4.777) 10.464 11.043 ( 13.767 -1.899 -0.973) 13.932 11.147 ( -0.084 -0.324 0.886) 0.947 11.361 ( 3.781 0.451 1.638) 4.145 11.736 ( -12.946 -5.411 -5.105) 14.931 12.078 ( 4.383 1.739 3.385) 5.805 12.626 ( -1.360 -1.500 3.534) 4.073 12.939 ( -9.459 -4.570 -14.247) 17.701 13.328 ( -0.589 -1.459 -0.375) 1.617 14.596 ( 3.436 7.622 14.619) 16.841 14.849 ( 1.052 -0.345 -6.282) 6.378 15.003 ( 0.656 6.861 6.855) 9.721 15.145 ( -1.503 -1.087 2.426) 3.054 15.285 ( -1.643 4.649 -7.791) 9.220 16.504 ( 0.375 -7.852 -6.436) 10.159 16.511 ( -3.556 -2.379 6.416) 7.711 16.726 ( -0.213 -0.281 0.583) 0.681 17.527 ( 13.321 -8.701 2.013) 16.037 17.848 ( -5.667 4.206 -5.141) 8.731 18.203 ( -3.548 -2.169 0.521) 4.191 18.495 ( -5.289 -3.866 -1.596) 6.743 18.836 ( 1.707 4.678 4.308) 6.584 19.476 ( 8.163 7.696 16.302) 19.789 19.946 ( 1.958 -1.701 -11.832) 12.113 20.333 ( 1.771 4.848 -1.506) 5.377 21.249 ( -0.937 -4.842 -3.814) 6.235 22.361 ( -0.274 -2.073 2.678) 3.398 22.669 ( -1.363 1.248 -1.042) 2.121 22.922 ( -1.513 -0.909 -0.641) 1.877 23.164 ( -0.655 -0.540 -0.992) 1.306 23.379 ( 0.587 0.446 1.414) 1.594 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -0.000 18.732 -0.000) 18.732 1.577 ( -0.000 25.272 -0.000) 25.272 1.858 ( 0.000 -24.779 0.000) 24.779 2.014 ( 0.000 -0.379 0.000) 0.379 2.286 ( 0.000 -9.559 0.000) 9.559 2.547 ( -0.000 11.145 -0.000) 11.145 2.571 ( -0.000 2.565 -0.000) 2.565 2.807 ( -0.000 6.313 -0.000) 6.313 2.928 ( -0.000 23.714 -0.000) 23.714 3.214 ( 0.000 -3.426 0.000) 3.426 3.327 ( 0.000 -3.932 0.000) 3.932 3.706 ( -0.000 4.057 -0.000) 4.057 4.127 ( -0.000 0.757 -0.000) 0.757 4.307 ( 0.000 -1.328 0.000) 1.328 4.508 ( -0.000 9.049 -0.000) 9.049 4.646 ( -0.000 4.981 -0.000) 4.981 4.901 ( -0.000 13.576 -0.000) 13.576 4.953 ( -0.000 7.491 -0.000) 7.491 5.139 ( -0.000 3.122 -0.000) 3.122 5.331 ( -0.000 7.518 -0.000) 7.518 5.407 ( -0.000 9.789 -0.000) 9.789 5.936 ( 0.000 -2.091 0.000) 2.091 6.002 ( 0.000 -0.277 0.000) 0.277 6.431 ( 0.000 -8.844 0.000) 8.844 6.548 ( 0.000 -8.577 0.000) 8.577 6.752 ( -0.000 3.625 -0.000) 3.625 6.756 ( 0.000 -12.518 0.000) 12.518 6.925 ( 0.000 -7.544 0.000) 7.544 7.202 ( 0.000 -6.268 0.000) 6.268 7.272 ( 0.000 -3.201 0.000) 3.201 7.668 ( 0.000 -10.802 0.000) 10.802 7.734 ( 0.000 -12.692 0.000) 12.692 7.801 ( 0.000 -8.230 0.000) 8.230 8.186 ( -0.000 3.216 -0.000) 3.216 8.244 ( 0.000 -10.803 0.000) 10.803 8.451 ( 0.000 -3.782 0.000) 3.782 8.560 ( -0.000 2.470 -0.000) 2.470 8.703 ( 0.000 -6.412 0.000) 6.412 9.173 ( 0.000 -2.139 0.000) 2.139 9.313 ( 0.000 -1.692 0.000) 1.692 9.352 ( 0.000 -2.759 0.000) 2.759 9.411 ( 0.000 -0.772 0.000) 0.772 9.479 ( -0.000 6.889 -0.000) 6.889 9.578 ( 0.000 -0.339 0.000) 0.339 9.828 ( -0.000 0.978 -0.000) 0.978 10.185 ( -0.000 8.175 -0.000) 8.175 10.401 ( -0.000 12.563 -0.000) 12.563 10.413 ( -0.000 1.811 -0.000) 1.811 11.137 ( -0.000 3.629 -0.000) 3.629 11.222 ( 0.000 -6.582 0.000) 6.582 11.361 ( -0.000 5.275 -0.000) 5.275 11.687 ( 0.000 -7.341 0.000) 7.341 12.112 ( 0.000 -1.483 0.000) 1.483 12.657 ( 0.000 -1.503 0.000) 1.503 12.903 ( 0.000 -4.953 0.000) 4.953 13.348 ( 0.000 -1.948 0.000) 1.948 14.544 ( -0.000 5.432 -0.000) 5.432 14.833 ( -0.000 15.529 -0.000) 15.529 14.923 ( 0.000 -5.284 0.000) 5.284 15.152 ( -0.000 0.506 -0.000) 0.506 15.202 ( -0.000 0.369 -0.000) 0.369 16.508 ( -0.000 0.919 -0.000) 0.919 16.633 ( 0.000 -7.887 0.000) 7.887 16.746 ( 0.000 -2.932 0.000) 2.932 17.602 ( -0.000 20.146 -0.000) 20.146 17.743 ( 0.000 -8.120 0.000) 8.120 18.246 ( 0.000 -5.764 0.000) 5.764 18.635 ( 0.000 -19.240 0.000) 19.240 18.785 ( -0.000 4.822 -0.000) 4.822 19.427 ( -0.000 11.492 -0.000) 11.492 19.998 ( 0.000 -6.464 0.000) 6.464 20.265 ( -0.000 6.019 -0.000) 6.019 21.265 ( 0.000 -0.101 0.000) 0.101 22.416 ( 0.000 -4.835 0.000) 4.835 22.643 ( -0.000 0.657 -0.000) 0.657 22.911 ( -0.000 0.775 -0.000) 0.775 23.163 ( 0.000 -0.219 0.000) 0.219 23.371 ( -0.000 1.660 -0.000) 1.660 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -16.677 0.000 -6.969) 18.075 1.879 ( 7.479 -0.000 -0.883) 7.531 1.879 ( 13.634 -0.000 -6.146) 14.955 2.122 ( -0.207 0.000 -1.408) 1.423 2.630 ( 7.429 -0.000 9.523) 12.078 2.634 ( -11.144 0.000 1.738) 11.279 2.690 ( 3.828 -0.000 3.342) 5.082 2.718 ( -0.031 0.000 1.879) 1.880 2.995 ( 13.865 -0.000 -14.323) 19.935 3.263 ( 3.821 -0.000 -0.362) 3.838 3.427 ( -0.612 0.000 3.006) 3.068 3.916 ( -5.561 0.000 6.340) 8.433 3.966 ( 8.054 -0.000 6.963) 10.647 4.165 ( 1.520 -0.000 1.955) 2.476 4.838 ( -0.382 0.000 -6.396) 6.408 4.953 ( 5.268 -0.000 -10.705) 11.931 5.119 ( 4.512 -0.000 3.309) 5.595 5.330 ( -2.922 0.000 1.153) 3.141 5.604 ( 17.381 -0.000 5.294) 18.169 5.626 ( 13.052 -0.000 -2.783) 13.345 5.796 ( -2.748 0.000 8.936) 9.349 5.830 ( 3.106 -0.000 7.550) 8.164 5.874 ( -1.100 0.000 2.524) 2.753 6.052 ( 0.533 -0.000 -0.895) 1.042 6.147 ( -8.206 0.000 0.262) 8.210 6.343 ( -6.919 0.000 3.511) 7.759 6.659 ( -12.484 0.000 -9.991) 15.989 6.934 ( 10.235 -0.000 -3.746) 10.899 7.077 ( -19.418 0.000 -12.355) 23.015 7.148 ( -3.414 0.000 -4.238) 5.442 7.239 ( 2.571 -0.000 -5.004) 5.626 7.248 ( -3.399 0.000 -4.146) 5.361 7.609 ( -3.599 0.000 4.013) 5.391 8.128 ( 0.370 -0.000 1.873) 1.909 8.188 ( -6.287 0.000 -2.232) 6.671 8.410 ( -14.441 0.000 -1.513) 14.520 8.414 ( -2.736 0.000 1.592) 3.166 8.870 ( -8.372 0.000 -2.989) 8.890 8.933 ( -4.319 0.000 0.686) 4.373 8.944 ( -0.995 0.000 9.962) 10.011 9.262 ( 4.285 -0.000 -0.720) 4.345 9.381 ( 8.793 -0.000 9.733) 13.116 9.394 ( 1.699 -0.000 4.629) 4.931 9.675 ( 0.794 -0.000 -4.912) 4.976 10.064 ( -6.794 0.000 -6.415) 9.344 10.151 ( 8.271 -0.000 -0.496) 8.286 10.653 ( 5.368 -0.000 0.191) 5.371 10.729 ( 11.325 -0.000 -1.491) 11.423 10.784 ( 4.138 -0.000 0.535) 4.172 11.172 ( -0.716 0.000 -7.259) 7.294 11.423 ( -4.577 0.000 -1.438) 4.797 11.616 ( -8.278 0.000 5.786) 10.100 12.085 ( 8.411 -0.000 8.891) 12.240 12.612 ( -0.074 0.000 -0.023) 0.077 13.136 ( -15.222 0.000 -23.348) 27.872 13.319 ( -1.198 0.000 -2.508) 2.780 14.579 ( -1.702 0.000 2.307) 2.867 14.856 ( 7.086 -0.000 15.512) 17.054 15.124 ( -3.894 0.000 5.027) 6.359 15.196 ( 9.446 -0.000 -2.567) 9.788 15.333 ( -0.480 0.000 3.625) 3.656 16.306 ( -6.248 0.000 3.318) 7.075 16.683 ( 3.989 -0.000 -0.553) 4.027 16.733 ( -0.143 0.000 -0.416) 0.440 16.994 ( 0.986 -0.000 -7.034) 7.103 17.809 ( -16.041 0.000 7.849) 17.858 18.214 ( -5.461 0.000 -5.268) 7.588 18.836 ( 5.838 -0.000 10.305) 11.843 18.862 ( 4.909 -0.000 -1.537) 5.144 19.348 ( 15.825 -0.000 16.534) 22.887 20.101 ( 1.983 -0.000 -22.615) 22.702 20.456 ( -1.238 0.000 -5.516) 5.653 21.009 ( -0.892 0.000 -0.139) 0.903 22.324 ( 2.164 -0.000 2.632) 3.408 22.720 ( -2.203 0.000 2.164) 3.088 22.926 ( -3.229 0.000 -3.126) 4.495 23.169 ( -1.059 0.000 -2.203) 2.445 23.333 ( 2.335 -0.000 3.188) 3.952 ======================= Grid point 29 (19/114) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -11.610 -14.207 -7.145) 19.690 1.935 ( 2.851 2.401 -6.117) 7.163 1.962 ( 3.876 -1.502 -1.510) 4.422 2.007 ( -9.370 0.510 1.920) 9.579 2.482 ( 3.148 16.730 -1.057) 17.057 2.617 ( 0.321 2.702 4.968) 5.664 2.798 ( 4.840 -1.421 3.926) 6.392 2.899 ( 2.764 -10.392 4.099) 11.508 3.070 ( 5.252 -2.204 -9.584) 11.149 3.241 ( 2.158 7.233 -1.400) 7.677 3.427 ( -0.028 2.178 0.992) 2.393 3.871 ( -0.229 3.831 2.163) 4.406 4.118 ( 6.158 -0.331 5.210) 8.073 4.230 ( 3.343 -1.826 5.672) 6.832 4.685 ( -12.542 1.498 -4.886) 13.543 4.962 ( 8.393 3.690 -4.257) 10.108 5.164 ( 5.870 5.997 1.482) 8.521 5.345 ( -2.895 -2.226 -1.118) 3.819 5.602 ( 8.878 12.896 -2.418) 15.842 5.640 ( -2.501 8.922 3.155) 9.788 5.874 ( 3.238 1.440 5.994) 6.963 5.898 ( -2.014 -2.308 3.939) 4.990 5.974 ( 5.427 -6.197 0.193) 8.240 6.047 ( -3.193 -2.809 -1.740) 4.595 6.135 ( -0.469 -7.502 -1.713) 7.709 6.418 ( 5.301 -6.080 6.973) 10.662 6.456 ( -15.563 -1.519 -8.118) 17.618 6.779 ( -11.566 0.953 -7.676) 13.914 7.068 ( 3.899 2.356 -3.312) 5.632 7.105 ( 11.409 -2.817 1.249) 11.818 7.251 ( -2.707 -3.874 -2.995) 5.595 7.298 ( 2.327 -5.411 1.665) 6.121 7.632 ( -2.589 -6.862 1.527) 7.492 7.939 ( -17.402 1.327 -9.075) 19.671 8.179 ( -0.274 -4.276 2.121) 4.782 8.388 ( -0.978 -0.565 2.325) 2.584 8.416 ( 1.279 -3.318 4.239) 5.533 8.675 ( -10.710 1.576 -4.396) 11.684 8.927 ( 0.183 -2.061 -0.559) 2.143 9.041 ( -2.411 -8.110 4.685) 9.672 9.313 ( 4.198 0.406 -0.504) 4.247 9.404 ( 1.894 3.829 3.143) 5.304 9.536 ( 7.095 0.071 8.569) 11.125 9.688 ( 0.209 -0.986 -1.908) 2.158 9.917 ( -8.466 -0.267 -7.371) 11.228 10.257 ( 4.511 -2.806 -0.387) 5.327 10.674 ( 6.837 5.594 -1.867) 9.029 10.759 ( -0.868 5.181 3.665) 6.405 10.933 ( 9.199 -4.806 -0.770) 10.408 11.134 ( -0.350 -0.758 -5.032) 5.101 11.369 ( 0.016 0.150 -0.358) 0.389 11.568 ( -9.482 -4.042 2.271) 10.555 12.212 ( 7.277 4.255 8.829) 12.207 12.608 ( -0.382 0.064 1.017) 1.089 12.856 ( -11.295 -1.273 -17.439) 20.816 13.300 ( -0.734 -0.481 -1.043) 1.363 14.606 ( -0.279 -4.149 3.138) 5.209 14.974 ( 5.329 5.068 3.817) 8.286 15.089 ( -2.778 1.278 5.187) 6.022 15.179 ( 2.061 6.111 -1.812) 6.699 15.405 ( 1.540 -1.905 2.342) 3.390 16.286 ( -4.142 -4.271 2.057) 6.295 16.614 ( -0.186 9.430 -2.644) 9.796 16.728 ( -0.096 0.165 -0.315) 0.369 17.147 ( 7.679 -17.114 -0.758) 18.774 17.688 ( -13.079 -4.096 2.232) 13.886 18.144 ( -2.966 -0.954 -2.814) 4.198 18.805 ( 2.135 12.061 -0.468) 12.257 18.949 ( 3.838 2.088 5.409) 6.953 19.598 ( 9.837 0.768 19.029) 21.436 19.984 ( 1.281 2.844 -20.680) 20.914 20.405 ( -1.290 0.659 -2.672) 3.039 21.049 ( -0.676 -6.339 -1.075) 6.465 22.355 ( 1.204 0.656 1.797) 2.261 22.699 ( -1.628 0.595 0.482) 1.799 22.885 ( -1.898 -1.024 -1.458) 2.604 23.150 ( -0.689 -0.298 -1.181) 1.399 23.375 ( 1.269 -0.397 1.794) 2.233 ======================= Grid point 30 (20/114) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.000 -25.954 0.000) 25.954 1.816 ( -0.000 8.426 -0.000) 8.426 1.981 ( 0.000 -0.964 0.000) 0.964 2.037 ( 0.000 -5.663 0.000) 5.663 2.233 ( -0.000 19.980 -0.000) 19.980 2.608 ( -0.000 2.400 -0.000) 2.400 2.826 ( -0.000 3.208 -0.000) 3.208 3.019 ( -0.000 4.205 -0.000) 4.205 3.118 ( 0.000 -3.541 0.000) 3.541 3.158 ( 0.000 -1.488 0.000) 1.488 3.371 ( -0.000 6.470 -0.000) 6.470 3.812 ( -0.000 4.457 -0.000) 4.457 4.158 ( -0.000 1.586 -0.000) 1.586 4.297 ( 0.000 -0.301 0.000) 0.301 4.553 ( -0.000 0.652 -0.000) 0.652 4.964 ( -0.000 9.062 -0.000) 9.062 5.130 ( -0.000 0.830 -0.000) 0.830 5.255 ( -0.000 7.983 -0.000) 7.983 5.444 ( -0.000 19.248 -0.000) 19.248 5.503 ( -0.000 7.167 -0.000) 7.167 5.820 ( -0.000 12.134 -0.000) 12.134 5.896 ( 0.000 -0.526 0.000) 0.526 6.026 ( 0.000 -1.619 0.000) 1.619 6.183 ( 0.000 -3.623 0.000) 3.623 6.189 ( 0.000 -11.048 0.000) 11.048 6.394 ( 0.000 -12.838 0.000) 12.838 6.629 ( 0.000 -11.360 0.000) 11.360 6.735 ( 0.000 -5.580 0.000) 5.580 7.081 ( -0.000 0.568 -0.000) 0.568 7.174 ( 0.000 -3.638 0.000) 3.638 7.382 ( 0.000 -11.066 0.000) 11.066 7.453 ( 0.000 -4.062 0.000) 4.062 7.614 ( 0.000 -3.756 0.000) 3.756 7.888 ( 0.000 -11.339 0.000) 11.339 8.235 ( 0.000 -2.172 0.000) 2.172 8.390 ( 0.000 -0.477 0.000) 0.477 8.521 ( 0.000 -3.594 0.000) 3.594 8.567 ( 0.000 -1.770 0.000) 1.770 9.004 ( 0.000 -8.716 0.000) 8.716 9.145 ( 0.000 -5.993 0.000) 5.993 9.350 ( 0.000 -0.680 0.000) 0.680 9.372 ( -0.000 2.466 -0.000) 2.466 9.607 ( -0.000 1.383 -0.000) 1.383 9.654 ( -0.000 3.719 -0.000) 3.719 9.843 ( 0.000 -1.098 0.000) 1.098 10.320 ( 0.000 -1.633 0.000) 1.633 10.602 ( -0.000 11.464 -0.000) 11.464 10.675 ( -0.000 5.131 -0.000) 5.131 11.063 ( 0.000 -4.763 0.000) 4.763 11.133 ( 0.000 -1.252 0.000) 1.252 11.466 ( 0.000 -7.069 0.000) 7.069 11.489 ( -0.000 1.116 -0.000) 1.116 12.197 ( -0.000 7.239 -0.000) 7.239 12.628 ( 0.000 -0.791 0.000) 0.791 12.754 ( 0.000 -4.001 0.000) 4.001 13.304 ( 0.000 -1.099 0.000) 1.099 14.713 ( 0.000 -8.193 0.000) 8.193 14.843 ( -0.000 13.867 -0.000) 13.867 15.118 ( 0.000 -2.444 0.000) 2.444 15.129 ( -0.000 3.081 -0.000) 3.081 15.366 ( -0.000 8.843 -0.000) 8.843 16.351 ( 0.000 -8.174 0.000) 8.174 16.512 ( -0.000 2.657 -0.000) 2.657 16.725 ( -0.000 0.075 -0.000) 0.075 17.550 ( 0.000 -23.119 0.000) 23.119 17.609 ( 0.000 -1.542 0.000) 1.542 18.140 ( 0.000 -2.165 0.000) 2.165 18.596 ( -0.000 16.252 -0.000) 16.252 18.932 ( -0.000 4.773 -0.000) 4.773 19.768 ( -0.000 11.140 -0.000) 11.140 19.819 ( 0.000 -5.491 0.000) 5.491 20.384 ( -0.000 1.281 -0.000) 1.281 21.142 ( 0.000 -7.319 0.000) 7.319 22.358 ( -0.000 0.338 -0.000) 0.338 22.674 ( -0.000 1.228 -0.000) 1.228 22.891 ( 0.000 -1.643 0.000) 1.643 23.149 ( 0.000 -0.569 0.000) 0.569 23.391 ( 0.000 -0.059 0.000) 0.059 ======================= Grid point 38 (21/114) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 0.000 -0.000 0.000) 0.000 1.935 ( 0.000 -0.000 0.000) 0.000 1.965 ( 0.000 -0.000 0.000) 0.000 1.973 ( 0.000 -0.000 -0.000) 0.000 2.663 ( 0.000 -0.000 0.000) 0.000 2.699 ( 0.000 -0.000 0.000) 0.000 2.724 ( 0.000 -0.000 0.000) 0.000 2.881 ( 0.000 -0.000 -0.000) 0.000 3.051 ( 0.000 -0.000 0.000) 0.000 3.308 ( 0.000 -0.000 0.000) 0.000 3.443 ( 0.000 -0.000 0.000) 0.000 3.911 ( 0.000 -0.000 0.000) 0.000 4.191 ( -0.000 0.000 0.000) 0.000 4.273 ( 0.000 -0.000 0.000) 0.000 4.575 ( 0.000 -0.000 0.000) 0.000 5.075 ( 0.000 -0.000 0.000) 0.000 5.140 ( -0.000 0.000 0.000) 0.000 5.370 ( 0.000 -0.000 0.000) 0.000 5.676 ( -0.000 0.000 0.000) 0.000 5.733 ( 0.000 -0.000 -0.000) 0.000 5.872 ( 0.000 -0.000 0.000) 0.000 5.929 ( 0.000 -0.000 -0.000) 0.000 5.977 ( 0.000 -0.000 0.000) 0.000 6.077 ( 0.000 -0.000 0.000) 0.000 6.164 ( 0.000 -0.000 0.000) 0.000 6.184 ( -0.000 0.000 -0.000) 0.000 6.443 ( 0.000 -0.000 0.000) 0.000 6.666 ( 0.000 -0.000 0.000) 0.000 7.080 ( 0.000 -0.000 0.000) 0.000 7.166 ( 0.000 -0.000 0.000) 0.000 7.174 ( 0.000 -0.000 0.000) 0.000 7.421 ( 0.000 -0.000 0.000) 0.000 7.495 ( 0.000 -0.000 -0.000) 0.000 7.770 ( -0.000 0.000 0.000) 0.000 8.145 ( 0.000 -0.000 0.000) 0.000 8.378 ( 0.000 -0.000 0.000) 0.000 8.498 ( -0.000 0.000 -0.000) 0.000 8.525 ( 0.000 -0.000 0.000) 0.000 8.913 ( 0.000 -0.000 0.000) 0.000 8.977 ( 0.000 -0.000 0.000) 0.000 9.337 ( 0.000 -0.000 0.000) 0.000 9.465 ( 0.000 -0.000 0.000) 0.000 9.618 ( 0.000 -0.000 0.000) 0.000 9.719 ( 0.000 -0.000 0.000) 0.000 9.784 ( -0.000 0.000 -0.000) 0.000 10.266 ( 0.000 -0.000 0.000) 0.000 10.733 ( 0.000 -0.000 0.000) 0.000 10.833 ( 0.000 -0.000 0.000) 0.000 10.955 ( 0.000 -0.000 -0.000) 0.000 11.105 ( 0.000 -0.000 0.000) 0.000 11.349 ( 0.000 -0.000 0.000) 0.000 11.496 ( 0.000 -0.000 0.000) 0.000 12.347 ( 0.000 -0.000 0.000) 0.000 12.608 ( 0.000 -0.000 -0.000) 0.000 12.698 ( 0.000 -0.000 0.000) 0.000 13.288 ( 0.000 -0.000 0.000) 0.000 14.573 ( 0.000 -0.000 -0.000) 0.000 15.070 ( 0.000 -0.000 -0.000) 0.000 15.075 ( -0.000 0.000 0.000) 0.000 15.310 ( 0.000 -0.000 0.000) 0.000 15.346 ( 0.000 -0.000 0.000) 0.000 16.236 ( 0.000 -0.000 0.000) 0.000 16.727 ( 0.000 -0.000 0.000) 0.000 16.750 ( 0.000 -0.000 0.000) 0.000 16.969 ( 0.000 -0.000 0.000) 0.000 17.598 ( 0.000 -0.000 0.000) 0.000 18.109 ( 0.000 -0.000 -0.000) 0.000 18.918 ( 0.000 -0.000 0.000) 0.000 19.010 ( 0.000 -0.000 0.000) 0.000 19.713 ( 0.000 -0.000 -0.000) 0.000 19.957 ( 0.000 -0.000 0.000) 0.000 20.383 ( 0.000 -0.000 0.000) 0.000 20.997 ( 0.000 -0.000 0.000) 0.000 22.375 ( 0.000 -0.000 0.000) 0.000 22.695 ( 0.000 -0.000 0.000) 0.000 22.859 ( 0.000 -0.000 0.000) 0.000 23.140 ( 0.000 -0.000 0.000) 0.000 23.386 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 67 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 2.925 -0.000 24.590) 24.764 0.611 ( -5.210 0.000 29.297) 29.757 0.934 ( -13.724 0.000 44.614) 46.677 1.979 ( -8.277 0.000 1.626) 8.435 2.383 ( 5.375 -0.000 -11.740) 12.912 2.501 ( 5.541 -0.000 -8.409) 10.071 2.561 ( -1.723 0.000 2.622) 3.138 2.733 ( -1.750 0.000 2.871) 3.362 2.963 ( -20.152 0.000 -0.832) 20.169 2.988 ( 7.625 -0.000 -12.305) 14.476 3.269 ( 15.420 -0.000 5.707) 16.442 3.615 ( -8.142 0.000 11.874) 14.397 3.941 ( 5.910 -0.000 5.222) 7.886 4.368 ( -0.234 0.000 -3.917) 3.924 4.388 ( -11.699 0.000 -9.681) 15.186 4.758 ( 13.361 -0.000 -10.086) 16.741 4.768 ( 5.787 -0.000 -2.289) 6.223 4.897 ( 5.007 -0.000 -9.127) 10.411 5.054 ( 6.106 -0.000 6.026) 8.579 5.087 ( -6.118 0.000 0.223) 6.122 5.476 ( 3.958 -0.000 5.925) 7.125 5.646 ( 4.272 -0.000 -3.905) 5.788 6.333 ( -2.122 0.000 11.263) 11.461 6.366 ( -6.140 0.000 6.711) 9.096 6.391 ( -2.834 0.000 -3.690) 4.652 6.855 ( 1.324 -0.000 1.914) 2.327 7.033 ( 0.147 -0.000 -3.098) 3.101 7.194 ( 9.927 -0.000 -8.671) 13.181 7.407 ( -2.411 0.000 0.065) 2.412 7.473 ( -7.255 0.000 -7.206) 10.225 7.755 ( -2.811 0.000 3.119) 4.199 8.043 ( 3.755 -0.000 4.164) 5.607 8.061 ( 0.943 -0.000 -5.238) 5.322 8.229 ( 1.401 -0.000 -3.869) 4.115 8.436 ( -0.426 0.000 0.906) 1.001 8.497 ( -0.538 0.000 12.531) 12.542 8.575 ( -7.742 0.000 1.469) 7.880 8.854 ( -3.690 0.000 -5.363) 6.510 9.005 ( 5.766 -0.000 -0.738) 5.813 9.245 ( 0.983 -0.000 -0.896) 1.330 9.281 ( 2.489 -0.000 5.099) 5.674 9.466 ( -2.211 0.000 2.764) 3.540 9.821 ( -12.149 0.000 -3.854) 12.746 9.829 ( -1.731 0.000 4.052) 4.406 9.866 ( 0.204 -0.000 2.831) 2.838 9.953 ( -24.416 0.000 1.417) 24.457 10.210 ( -50.762 0.000 -2.773) 50.838 10.305 ( 17.142 -0.000 0.425) 17.147 10.653 ( -2.513 0.000 0.289) 2.529 11.157 ( 0.500 -0.000 -9.085) 9.098 11.788 ( -2.002 0.000 0.391) 2.039 11.880 ( -2.701 0.000 4.024) 4.847 11.940 ( 20.442 -0.000 -1.998) 20.540 12.177 ( -4.828 0.000 -1.046) 4.940 13.218 ( 16.289 -0.000 2.183) 16.435 14.197 ( -4.078 0.000 -18.239) 18.689 14.344 ( 1.695 -0.000 2.451) 2.980 14.926 ( 22.466 -0.000 -5.631) 23.161 15.087 ( -6.492 0.000 10.722) 12.535 15.229 ( 6.533 -0.000 0.838) 6.587 15.889 ( 37.242 -0.000 10.330) 38.649 16.571 ( 1.944 -0.000 -2.474) 3.146 16.670 ( -4.586 0.000 -5.369) 7.061 16.829 ( -8.184 0.000 -4.063) 9.137 17.049 ( 18.927 -0.000 2.175) 19.052 17.289 (-168.101 0.000 0.017) 168.101 18.144 ( 1.895 -0.000 3.967) 4.397 18.516 ( -1.283 0.000 0.756) 1.489 18.776 ( -1.704 0.000 1.425) 2.222 19.562 ( 14.627 -0.000 -12.083) 18.972 20.367 ( -24.024 0.000 9.887) 25.979 20.507 ( -1.359 0.000 4.364) 4.571 21.002 ( 111.321 -0.000 -3.047) 111.363 21.042 ( 7.186 -0.000 -3.490) 7.989 22.713 ( 0.885 -0.000 4.429) 4.517 22.849 ( -10.830 0.000 2.325) 11.077 23.128 ( 1.778 -0.000 -0.664) 1.898 23.216 ( 0.336 -0.000 -2.126) 2.152 ======================= Grid point 68 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -14.688 -17.080 24.973) 33.632 0.784 ( 8.256 -7.324 23.052) 25.558 1.459 ( 16.802 -24.504 22.254) 37.121 1.896 ( -7.614 -3.836 -2.558) 8.901 2.296 ( -6.799 6.400 -7.518) 11.988 2.483 ( 2.696 -4.570 -11.666) 12.816 2.528 ( -2.720 2.311 3.728) 5.161 2.665 ( -5.934 1.654 7.807) 9.944 2.800 ( 4.653 5.788 -0.187) 7.429 3.217 ( 11.850 -9.066 -8.988) 17.419 3.459 ( 11.661 1.605 3.858) 12.387 3.647 ( 3.049 -3.072 7.388) 8.562 3.975 ( -8.095 0.246 2.692) 8.534 4.262 ( 2.593 3.109 -3.615) 5.427 4.359 ( 1.213 -2.322 -3.220) 4.151 4.722 ( 2.470 7.000 1.023) 7.493 4.752 ( -0.318 2.326 -6.136) 6.570 4.901 ( 1.307 -0.984 -4.444) 4.735 5.041 ( -1.576 -4.194 -6.471) 7.870 5.261 ( 11.260 -2.995 5.666) 12.956 5.367 ( 8.241 15.623 7.548) 19.208 5.801 ( 1.176 -3.339 -7.486) 8.281 6.206 ( -7.437 -5.027 6.567) 11.122 6.333 ( -8.071 -4.300 1.688) 9.300 6.533 ( 6.373 -3.557 -0.073) 7.299 6.831 ( -3.537 2.270 1.170) 4.363 7.031 ( 1.411 -0.213 -3.526) 3.804 7.187 ( -1.127 7.683 -3.052) 8.344 7.335 ( -6.168 3.796 1.651) 7.428 7.432 ( 3.730 -2.813 -7.590) 8.912 7.694 ( -8.571 -0.639 1.911) 8.804 7.907 ( -6.556 8.619 1.759) 10.971 8.070 ( -7.620 -0.128 -7.607) 10.768 8.186 ( 5.380 2.554 0.663) 5.993 8.431 ( -1.780 -0.200 3.125) 3.602 8.573 ( 0.973 -1.766 6.836) 7.127 8.665 ( 0.126 -9.210 6.850) 11.479 8.739 ( -4.232 -1.988 -6.292) 7.840 9.017 ( -5.848 1.622 7.079) 9.324 9.160 ( -10.449 0.138 -0.917) 10.490 9.224 ( -2.075 4.351 4.281) 6.447 9.440 ( -13.754 3.648 8.325) 16.485 9.595 ( 7.518 -2.697 -0.715) 8.019 9.688 ( -16.257 -9.554 -2.596) 19.034 9.850 ( -3.707 4.589 7.193) 9.302 9.920 ( 4.062 -1.014 4.939) 6.475 10.096 ( 3.934 -0.609 -5.621) 6.888 10.583 ( 19.538 0.384 2.623) 19.717 10.639 ( -1.722 -1.608 0.787) 2.484 11.121 ( -3.596 -2.562 -9.631) 10.595 11.737 ( 1.084 4.117 2.562) 4.969 11.858 ( -5.835 -1.566 0.751) 6.088 12.029 ( -9.350 -5.244 -3.010) 11.134 12.282 ( 15.327 -5.395 -6.108) 17.359 13.341 ( 5.875 0.957 -0.307) 5.961 14.029 ( -4.267 1.556 -17.918) 18.484 14.360 ( 5.163 7.386 7.031) 11.430 14.763 ( -16.013 27.199 23.376) 39.276 15.076 ( 4.910 -1.809 2.037) 5.615 15.218 ( -4.600 0.643 1.437) 4.862 15.605 ( -17.127 17.159 21.506) 32.408 16.191 ( 13.510 -2.337 -1.632) 13.807 16.696 ( -1.077 0.996 -2.317) 2.742 16.712 ( -1.602 -1.473 -5.600) 6.008 17.036 ( -13.891 -17.871 0.783) 22.648 17.604 ( 3.490 -31.319 -7.656) 32.429 18.227 ( 6.084 -1.812 4.983) 8.070 18.510 ( -0.592 0.672 -0.811) 1.208 18.743 ( -4.189 0.006 0.836) 4.272 19.598 ( 11.016 6.720 -11.686) 17.409 19.968 ( -19.259 11.382 7.782) 23.686 20.458 ( -0.065 6.703 2.851) 7.285 21.112 ( 0.734 -8.098 -3.623) 8.902 22.065 ( 30.637 -16.326 -27.999) 44.599 22.738 ( -0.191 1.077 5.373) 5.483 22.853 ( 4.839 -3.348 -0.127) 5.886 23.155 ( 2.067 -0.344 -0.182) 2.104 23.209 ( 0.406 -0.550 -2.756) 2.839 ======================= Grid point 69 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.742 -20.022 13.054) 23.913 1.145 ( 9.971 -9.858 18.328) 23.076 1.760 ( -3.545 -3.383 -8.239) 9.586 2.072 ( -5.511 3.135 8.005) 10.212 2.091 ( 2.090 -12.122 -1.402) 12.380 2.486 ( -3.309 0.684 8.843) 9.466 2.538 ( 7.308 -1.245 -10.183) 12.595 2.626 ( -2.571 -1.275 2.597) 3.870 2.931 ( 15.455 -1.527 3.231) 15.863 3.296 ( 3.065 1.605 -7.885) 8.610 3.523 ( 1.022 5.398 9.844) 11.273 3.781 ( -12.406 -2.530 1.431) 12.742 3.935 ( 9.996 -6.299 -5.291) 12.946 4.233 ( 2.243 -0.067 -4.894) 5.384 4.407 ( 2.765 2.506 3.783) 5.314 4.661 ( 4.068 6.448 -3.034) 8.205 4.747 ( 4.142 -1.316 -0.402) 4.365 4.905 ( -1.572 -3.651 0.041) 3.975 5.067 ( 2.616 -2.695 -4.741) 6.048 5.384 ( 10.527 -0.428 4.202) 11.342 5.492 ( 10.210 -3.381 1.746) 10.896 5.745 ( 4.515 1.583 -8.155) 9.455 6.304 ( -9.303 -5.173 -0.464) 10.655 6.329 ( -0.552 -5.190 7.481) 9.122 6.651 ( 0.026 -6.494 -1.888) 6.763 6.694 ( -8.616 4.436 1.820) 9.861 6.973 ( -4.219 8.837 -0.206) 9.795 7.052 ( -4.446 -0.330 -2.383) 5.055 7.198 ( -0.398 6.686 3.824) 7.712 7.406 ( -4.890 4.453 -6.485) 9.263 7.515 ( -8.522 8.954 -0.615) 12.377 7.780 ( -0.459 1.415 0.528) 1.579 7.954 ( -9.650 -4.309 -6.312) 12.310 8.249 ( 3.916 -1.620 3.824) 5.707 8.424 ( -2.721 0.609 2.059) 3.466 8.562 ( -2.354 3.354 -8.179) 9.149 8.649 ( 1.683 5.390 -1.623) 5.875 8.875 ( -2.390 -10.147 6.120) 12.088 8.982 ( -6.547 -2.694 6.709) 9.754 9.048 ( -3.215 -0.060 6.159) 6.948 9.207 ( -4.082 -0.317 2.688) 4.898 9.342 ( -2.407 0.038 4.130) 4.780 9.626 ( -2.967 -4.247 -2.608) 5.800 9.692 ( 3.622 0.993 -3.029) 4.825 9.836 ( -3.068 -3.552 4.979) 6.842 10.018 ( 3.789 -1.493 4.615) 6.155 10.144 ( 6.248 -0.089 -2.679) 6.799 10.631 ( -4.477 -2.204 2.100) 5.414 10.790 ( 16.158 4.993 0.145) 16.912 11.033 ( -6.832 -1.432 -6.283) 9.392 11.670 ( -4.431 7.094 6.839) 10.804 11.849 ( -2.097 -5.079 -2.331) 5.969 11.974 ( -3.970 -3.270 -3.091) 6.001 12.501 ( 10.527 -6.284 -7.060) 14.147 13.379 ( 1.594 0.314 2.554) 3.027 13.824 ( -8.714 1.381 -22.010) 23.712 14.266 ( 1.406 19.219 27.931) 33.933 14.611 ( 2.863 0.108 8.725) 9.183 15.163 ( 0.924 2.654 4.205) 5.058 15.180 ( -0.300 -3.817 1.398) 4.077 15.422 ( -6.794 5.007 5.206) 9.916 16.373 ( 13.286 -1.312 -7.249) 15.191 16.656 ( -2.825 -1.427 -0.963) 3.309 16.687 ( 0.949 1.037 -4.446) 4.663 17.086 ( -15.960 -16.220 -0.198) 22.757 17.926 ( 9.051 -6.384 4.186) 11.840 18.373 ( 1.979 1.708 4.529) 5.229 18.452 ( 3.465 3.336 -2.800) 5.566 18.715 ( -2.419 -4.130 0.705) 4.838 19.516 ( 12.919 17.187 -12.272) 24.757 19.712 ( -23.101 -9.116 6.449) 25.659 20.376 ( 1.019 6.446 1.426) 6.680 21.205 ( -0.722 -7.705 -4.820) 9.117 22.285 ( 6.896 -4.588 -12.764) 15.216 22.753 ( 0.671 1.332 4.309) 4.560 22.955 ( 3.729 -2.122 -1.002) 4.406 23.176 ( 0.771 -0.878 -2.254) 2.539 23.227 ( 2.661 -1.381 -2.375) 3.825 ======================= Grid point 70 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 7.943 -12.932 7.297) 16.840 1.449 ( 7.272 -3.428 9.668) 12.574 1.751 ( -4.823 -9.773 -1.895) 11.062 1.940 ( -9.147 1.428 9.565) 13.311 2.128 ( -3.572 5.642 -4.166) 7.870 2.482 ( -3.123 1.514 0.441) 3.499 2.587 ( 11.714 2.081 -8.456) 14.596 2.769 ( 6.376 -9.333 5.786) 12.698 3.126 ( 6.179 -1.237 0.935) 6.370 3.250 ( 2.500 2.708 -6.764) 7.703 3.412 ( -9.539 8.070 4.541) 13.294 3.654 ( -9.071 -0.700 7.464) 11.768 4.031 ( 4.473 -0.531 -12.313) 13.111 4.273 ( 1.884 -2.697 -4.791) 5.812 4.423 ( 1.123 1.044 3.894) 4.185 4.618 ( 4.314 5.592 0.542) 7.084 4.820 ( 6.318 -1.457 -4.610) 7.956 5.031 ( 0.509 -6.546 0.066) 6.567 5.189 ( 8.121 -7.893 8.234) 14.002 5.572 ( 10.440 -6.188 -5.629) 13.378 5.700 ( 11.651 -3.738 -0.011) 12.236 5.803 ( 6.376 -1.789 -3.930) 7.700 6.183 ( -13.036 3.055 -0.496) 13.399 6.311 ( -5.603 2.478 -0.852) 6.185 6.486 ( -11.495 -0.993 1.329) 11.614 6.707 ( -10.243 6.777 -0.992) 12.322 6.827 ( 3.029 -5.548 3.624) 7.286 7.050 ( -6.248 4.646 -2.321) 8.124 7.091 ( -3.281 7.027 4.086) 8.766 7.199 ( 2.236 1.184 0.209) 2.538 7.408 ( -0.202 1.980 -1.670) 2.598 7.747 ( 0.230 3.293 -0.789) 3.394 7.906 ( -6.312 -7.164 -1.768) 9.710 8.305 ( -4.147 6.263 -6.250) 9.772 8.359 ( -1.693 -6.515 5.425) 8.646 8.486 ( 6.078 4.162 0.024) 7.367 8.582 ( 1.156 5.932 0.627) 6.076 8.907 ( -5.587 0.263 2.621) 6.177 8.991 ( -4.404 -4.392 1.310) 6.356 9.098 ( -2.002 0.743 4.410) 4.899 9.165 ( -2.331 -0.831 5.346) 5.891 9.391 ( -0.151 -4.135 1.371) 4.359 9.650 ( -0.510 -5.582 -5.830) 8.088 9.766 ( 7.255 -1.793 -1.395) 7.603 9.865 ( -1.015 -2.051 2.985) 3.762 10.089 ( 2.840 1.865 5.495) 6.460 10.206 ( 1.283 -1.625 1.226) 2.406 10.583 ( -2.637 3.318 0.700) 4.296 10.882 ( 9.984 3.141 -2.558) 10.775 10.949 ( -7.417 -3.511 -3.466) 8.908 11.530 ( -7.756 4.916 4.815) 10.369 11.865 ( -0.297 0.503 2.546) 2.612 12.017 ( 2.059 -4.929 -3.191) 6.223 12.642 ( 5.978 -4.402 -7.413) 10.491 13.417 ( -0.520 -1.466 6.790) 6.966 13.561 ( -10.617 0.294 -21.228) 23.737 14.246 ( 6.238 13.067 28.566) 32.026 14.727 ( 3.200 -3.533 4.451) 6.522 15.121 ( -1.082 3.177 0.529) 3.398 15.260 ( 1.493 -2.593 0.482) 3.031 15.316 ( -4.786 2.182 2.871) 5.993 16.416 ( 9.475 7.118 -14.330) 18.595 16.657 ( -1.004 -1.530 1.121) 2.146 16.702 ( 3.162 -2.852 -2.354) 4.865 17.127 ( -12.400 -15.325 -0.631) 19.723 18.083 ( 3.156 1.592 0.433) 3.562 18.187 ( -2.049 12.560 2.702) 13.010 18.516 ( 3.133 -1.086 2.102) 3.926 18.833 ( 4.019 -4.609 5.050) 7.931 19.380 ( 10.650 12.584 -7.054) 17.932 19.665 ( -16.260 -12.804 4.659) 21.214 20.325 ( 0.049 2.398 0.743) 2.511 21.263 ( -1.065 -6.230 -5.944) 8.677 22.322 ( 3.827 0.452 -6.808) 7.823 22.753 ( -0.555 1.558 2.755) 3.214 23.000 ( 0.191 -1.192 1.451) 1.887 23.180 ( 0.212 -1.358 -4.234) 4.451 23.275 ( 3.676 -0.715 -1.664) 4.098 ======================= Grid point 71 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -2.277 9.024 4.593) 10.379 1.642 ( 6.574 -1.913 6.369) 9.351 1.828 ( -7.000 -3.880 9.926) 12.751 1.921 ( -4.109 0.688 0.127) 4.168 1.985 ( -0.796 -7.290 -1.301) 7.448 2.412 ( -0.058 3.023 -1.844) 3.541 2.654 ( 8.394 6.187 -5.162) 11.636 2.956 ( 2.506 -3.466 -1.134) 4.425 3.059 ( -4.654 4.157 -4.375) 7.620 3.231 ( -11.158 -2.408 6.133) 12.958 3.304 ( 6.191 -1.589 -1.734) 6.623 3.635 ( 0.201 1.725 7.375) 7.577 4.017 ( 4.905 -0.285 -12.462) 13.395 4.271 ( -1.305 -1.197 -5.758) 6.024 4.436 ( 2.177 3.532 1.825) 4.533 4.625 ( 1.539 0.076 2.893) 3.277 4.883 ( 5.862 1.279 -4.005) 7.213 5.060 ( -4.250 -3.806 -0.750) 5.754 5.299 ( -13.057 4.514 6.196) 15.141 5.634 ( -1.885 4.915 -11.934) 13.043 5.843 ( 8.143 0.554 -5.227) 9.692 5.862 ( 4.887 -2.217 0.622) 5.403 5.998 ( -6.862 4.707 2.981) 8.839 6.297 ( 5.726 -2.022 0.487) 6.092 6.459 ( -3.423 -12.124 -0.913) 12.631 6.576 ( -2.225 -0.447 -1.682) 2.825 6.787 ( -1.558 5.521 4.607) 7.357 6.987 ( 0.114 -4.059 5.620) 6.933 7.133 ( -1.970 3.082 2.252) 4.296 7.162 ( -0.502 -3.496 -2.607) 4.390 7.442 ( 2.818 -1.382 3.580) 4.761 7.762 ( 5.880 -3.007 -1.654) 6.808 7.935 ( -2.930 -3.449 -0.653) 4.572 8.175 ( 0.363 1.585 -2.859) 3.290 8.454 ( 3.908 2.085 4.330) 6.194 8.510 ( 2.923 2.643 1.446) 4.198 8.581 ( -0.562 -6.024 7.238) 9.434 8.812 ( -3.537 3.488 -3.511) 6.083 8.974 ( -5.001 -0.391 1.171) 5.151 9.062 ( -2.153 0.860 1.212) 2.616 9.157 ( 2.014 5.647 2.625) 6.545 9.404 ( -0.124 1.730 -3.603) 3.999 9.704 ( 1.238 -4.990 -6.359) 8.177 9.810 ( -6.610 -3.333 -0.870) 7.453 9.949 ( 8.360 2.799 7.419) 11.523 10.098 ( -0.690 2.238 5.886) 6.335 10.234 ( -2.791 -2.664 2.673) 4.693 10.526 ( 1.376 2.072 -0.325) 2.508 10.868 ( -5.455 0.245 0.415) 5.476 10.980 ( 6.466 -3.733 -6.919) 10.179 11.415 ( -5.927 1.580 3.716) 7.172 11.873 ( 1.827 2.412 4.530) 5.448 12.080 ( 0.671 -3.027 -2.356) 3.895 12.694 ( 2.463 -1.562 -9.051) 9.509 13.341 ( -9.970 -2.829 -17.745) 20.549 13.481 ( -2.486 -2.977 11.260) 11.909 14.339 ( 8.318 7.753 25.451) 27.876 14.812 ( -1.124 -3.117 3.419) 4.761 15.048 ( -1.927 4.013 -2.044) 4.899 15.259 ( -0.095 2.362 -4.735) 5.292 15.275 ( -4.220 -0.590 4.756) 6.386 16.359 ( 8.077 3.032 -11.919) 14.713 16.664 ( 0.738 -0.027 -1.943) 2.079 16.792 ( 1.214 -5.628 -0.512) 5.781 17.156 ( -1.395 2.013 -0.426) 2.486 17.882 ( -6.656 2.973 -8.730) 11.374 18.198 ( 4.958 2.702 3.407) 6.595 18.608 ( 3.441 -2.305 6.187) 7.445 18.902 ( -1.841 1.522 5.603) 6.091 19.369 ( 15.165 9.189 -2.683) 17.934 19.702 ( -11.734 -12.665 7.348) 18.764 20.315 ( -2.504 -2.490 0.569) 3.577 21.292 ( -1.244 -4.467 -6.482) 7.970 22.303 ( 3.997 4.164 -5.946) 8.287 22.728 ( -1.651 1.364 1.423) 2.571 23.023 ( -1.253 -1.646 2.402) 3.170 23.172 ( -0.102 -0.769 -4.455) 4.522 23.314 ( 3.217 0.348 -1.581) 3.602 ======================= Grid point 72 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -7.035 21.085 2.199) 22.336 1.605 ( -13.565 6.767 12.217) 19.469 1.786 ( -2.049 0.367 6.346) 6.679 2.039 ( 6.711 -8.206 -1.337) 10.685 2.179 ( 10.786 -5.303 2.156) 12.211 2.356 ( 0.692 7.475 1.923) 7.749 2.533 ( -2.428 9.483 -0.123) 9.790 2.804 ( -10.259 2.443 -11.751) 15.789 3.054 ( -4.032 2.133 2.768) 5.335 3.183 ( -3.335 -3.812 1.887) 5.405 3.397 ( -0.653 -4.603 -0.426) 4.668 3.704 ( 7.313 -0.094 3.697) 8.195 4.045 ( 8.412 -1.208 -12.426) 15.054 4.221 ( -2.531 2.490 -4.933) 6.078 4.372 ( -1.622 4.278 1.161) 4.720 4.683 ( -1.730 -5.663 2.103) 6.283 4.878 ( -3.099 3.308 -6.011) 7.528 4.922 ( -18.384 4.101 1.254) 18.878 5.102 ( 0.875 0.751 6.830) 6.927 5.423 ( -6.261 7.285 -9.087) 13.223 5.656 ( -11.407 10.964 -1.565) 15.899 5.865 ( 0.387 2.611 0.252) 2.652 6.068 ( 10.365 -0.157 -3.330) 10.888 6.376 ( 2.243 1.465 1.172) 2.924 6.535 ( 1.360 -4.634 -4.299) 6.466 6.701 ( 0.738 -7.622 0.596) 7.681 6.909 ( 10.787 -7.196 -0.271) 12.970 7.063 ( 1.855 -0.792 10.598) 10.788 7.128 ( -0.502 -7.377 3.645) 8.243 7.208 ( -1.567 -4.916 0.494) 5.183 7.518 ( 6.315 -0.176 1.903) 6.597 7.846 ( 0.910 3.288 -3.360) 4.789 7.993 ( 6.014 -11.275 -5.992) 14.114 8.219 ( 1.343 -0.464 3.845) 4.099 8.432 ( -2.620 0.549 5.740) 6.334 8.584 ( 6.409 2.969 1.917) 7.319 8.642 ( -1.778 1.833 -0.179) 2.559 8.798 ( -2.155 -8.357 3.392) 9.273 8.896 ( 3.467 6.609 2.518) 7.876 9.030 ( 0.773 5.176 2.684) 5.881 9.142 ( 6.152 0.450 -4.071) 7.391 9.342 ( -1.548 1.525 -0.859) 2.336 9.686 ( -6.476 5.471 -1.688) 8.644 9.736 ( -0.631 -1.883 -3.267) 3.824 10.006 ( 3.644 5.960 6.793) 9.744 10.071 ( -6.308 0.732 5.336) 8.294 10.267 ( -4.845 -7.126 3.269) 9.216 10.562 ( 4.909 0.086 0.878) 4.988 10.790 ( -5.212 0.693 -0.599) 5.292 11.087 ( 7.374 -3.358 -5.018) 9.531 11.392 ( -1.862 -2.889 2.956) 4.533 11.882 ( 0.391 2.079 3.783) 4.335 12.102 ( 0.234 -1.647 -1.645) 2.340 12.652 ( 0.849 2.189 -12.163) 12.388 13.182 ( -9.318 -2.704 -13.035) 16.249 13.557 ( -4.295 -3.960 14.904) 16.008 14.500 ( 8.131 2.698 19.960) 21.721 14.814 ( -6.438 -0.350 4.915) 8.107 14.925 ( -2.688 4.941 -7.821) 9.634 15.169 ( -1.890 3.490 -2.223) 4.549 15.274 ( -2.559 -2.233 3.149) 4.631 16.431 ( 8.899 -3.583 -5.917) 11.271 16.660 ( 1.397 0.098 -4.135) 4.365 16.836 ( -4.445 0.302 0.373) 4.471 17.011 ( 5.755 14.179 -3.948) 15.804 17.872 ( 0.974 -8.576 -2.118) 8.887 18.242 ( 1.783 -2.728 0.188) 3.265 18.703 ( 3.226 -0.348 4.192) 5.302 18.841 ( -2.376 6.525 7.410) 10.155 19.429 ( 17.170 10.062 -2.061) 20.008 19.802 ( -10.730 -13.984 9.647) 20.093 20.337 ( -4.699 -6.517 0.663) 8.062 21.276 ( -2.542 -1.352 -7.633) 8.158 22.233 ( 5.132 8.287 -9.698) 13.750 22.698 ( -0.931 1.296 1.207) 2.001 23.043 ( -2.504 -2.827 2.040) 4.292 23.154 ( 0.043 -0.033 -3.876) 3.877 23.325 ( 1.681 1.131 -2.217) 3.003 ======================= Grid point 73 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -3.207 23.182 8.418) 24.871 1.267 ( -20.069 17.480 13.192) 29.704 1.825 ( -6.697 18.043 6.736) 20.390 1.972 ( -0.326 4.523 2.369) 5.116 2.286 ( 0.735 -6.325 6.030) 8.770 2.388 ( 1.315 3.690 -5.051) 6.392 2.513 ( 9.076 -3.014 2.680) 9.932 2.629 ( -2.590 -0.024 -5.953) 6.492 2.911 ( -7.718 1.770 2.085) 8.189 3.228 ( 0.365 -0.393 -0.624) 0.823 3.416 ( -5.909 -3.681 -1.267) 7.076 3.803 ( -0.676 -4.424 -0.775) 4.542 4.009 ( -7.758 8.638 -1.850) 11.757 4.141 ( 8.419 -1.036 -7.374) 11.239 4.365 ( 2.886 0.409 0.920) 3.056 4.552 ( -8.895 2.935 1.747) 9.528 4.841 ( -0.388 -5.281 0.445) 5.313 4.900 ( 0.354 -6.949 -5.269) 8.728 5.096 ( -5.273 3.324 3.609) 7.202 5.187 ( -8.580 5.517 -6.682) 12.194 5.361 ( -7.765 7.725 -1.160) 11.015 5.929 ( 9.801 2.115 -0.909) 10.068 6.064 ( -0.617 3.613 2.556) 4.469 6.387 ( 4.148 1.540 -2.067) 4.884 6.628 ( 6.170 -4.352 -4.068) 8.577 6.705 ( -6.262 1.488 2.960) 7.084 7.097 ( 0.498 -2.200 -0.623) 2.340 7.124 ( 2.695 -4.476 5.001) 7.233 7.216 ( -4.057 -7.045 5.098) 9.596 7.469 ( 18.274 -9.979 -2.585) 20.981 7.629 ( 4.526 -4.146 0.210) 6.142 7.753 ( -2.582 3.756 -4.855) 6.659 8.180 ( 4.128 -5.935 -11.502) 13.586 8.238 ( 0.606 0.348 6.385) 6.423 8.407 ( -3.564 1.260 3.835) 5.385 8.518 ( 0.033 5.777 3.532) 6.771 8.649 ( -0.062 0.573 5.358) 5.389 8.822 ( -1.376 3.257 1.873) 4.002 8.987 ( -0.982 1.703 1.669) 2.579 9.007 ( 17.522 2.471 2.372) 17.854 9.255 ( 3.487 -2.143 -0.329) 4.106 9.371 ( 3.589 -6.057 2.727) 7.550 9.546 ( -3.226 -0.229 -0.126) 3.236 9.728 ( -1.320 0.297 -0.287) 1.384 9.951 ( -1.516 5.853 1.101) 6.146 10.004 ( -4.803 1.334 8.214) 9.608 10.340 ( -7.612 -10.699 4.853) 13.999 10.558 ( -7.170 -0.726 -6.059) 9.415 10.766 ( 4.942 4.283 10.351) 12.244 11.212 ( 10.406 -1.696 -2.299) 10.791 11.467 ( -0.536 -7.150 0.481) 7.186 11.850 ( -4.195 0.243 -0.676) 4.256 12.133 ( 2.191 -0.995 -0.812) 2.539 12.521 ( 1.968 8.448 -15.246) 17.541 13.021 ( -7.943 2.204 -6.091) 10.249 13.669 ( -4.281 -7.927 18.163) 20.275 14.554 ( -3.143 7.488 2.178) 8.408 14.758 ( -0.844 1.230 -7.251) 7.403 14.850 ( 1.221 -1.266 10.888) 11.029 15.114 ( -1.552 2.928 6.426) 7.231 15.310 ( -3.182 -5.991 2.344) 7.177 16.510 ( -6.945 -1.734 -2.349) 7.534 16.658 ( 5.142 0.351 -4.411) 6.783 16.734 ( 10.251 9.677 2.314) 14.286 16.953 ( -0.646 -0.836 -6.155) 6.245 18.006 ( 0.634 -5.985 0.985) 6.099 18.379 ( 6.461 -8.074 5.648) 11.783 18.734 ( -0.663 0.794 3.556) 3.703 18.791 ( 8.283 9.689 9.689) 16.012 19.488 ( 17.382 10.257 -3.175) 20.431 19.893 ( -18.786 -17.007 4.650) 25.764 20.389 ( -4.120 -7.746 1.209) 8.857 21.174 ( -4.013 2.698 -10.748) 11.786 22.059 ( 8.081 18.614 -20.556) 28.885 22.683 ( 0.655 1.656 1.958) 2.647 23.058 ( -4.658 -4.556 -0.183) 6.519 23.136 ( 0.471 0.268 -2.904) 2.954 23.296 ( -0.660 1.671 -3.619) 4.041 ======================= Grid point 74 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 2.069 18.439 20.717) 27.811 0.774 ( -14.896 27.619 11.297) 33.351 1.258 ( -28.567 25.422 31.083) 49.280 2.052 ( -4.973 -2.181 5.008) 7.387 2.349 ( 6.475 -1.271 -9.074) 11.220 2.414 ( 6.340 -3.153 -4.403) 8.338 2.543 ( -0.920 -3.041 -3.451) 4.691 2.667 ( 1.352 -0.872 0.928) 1.857 2.992 ( 11.288 -2.945 4.932) 12.666 3.164 ( 1.421 8.124 -3.835) 9.095 3.262 ( -20.779 -0.436 -4.680) 21.304 3.726 ( -14.931 1.224 9.018) 17.486 3.887 ( -0.079 0.429 0.960) 1.054 4.297 ( 7.751 -6.890 -2.725) 10.722 4.446 ( 11.592 -4.281 1.658) 12.468 4.540 ( 2.352 1.237 0.755) 2.763 4.758 ( -3.578 3.646 -6.830) 8.529 4.946 ( -2.500 3.319 -8.026) 9.038 5.001 ( -2.921 -2.218 2.571) 4.479 5.182 ( 0.723 -14.334 -0.658) 14.367 5.219 ( -2.396 2.776 1.760) 4.068 5.819 ( 2.962 15.811 -4.383) 16.672 6.192 ( 4.740 -3.590 11.512) 12.957 6.396 ( 3.874 1.568 -4.439) 6.096 6.569 ( -15.232 2.372 7.629) 17.200 6.765 ( 5.507 -5.247 -1.331) 7.722 7.063 ( -1.949 0.477 -2.285) 3.041 7.169 ( 5.290 3.737 -5.047) 8.211 7.368 ( 1.780 -7.955 -0.115) 8.152 7.600 ( -6.382 -0.909 -9.051) 11.112 7.730 ( 2.988 -0.875 2.032) 3.718 7.820 ( 12.191 -8.177 2.576) 14.904 8.125 ( -0.063 3.249 -7.310) 8.000 8.240 ( -2.211 0.920 0.395) 2.427 8.441 ( 2.430 -1.508 -1.977) 3.477 8.467 ( -3.680 2.408 11.228) 12.058 8.680 ( 0.268 6.520 9.067) 11.171 8.829 ( 3.548 -3.810 -2.940) 5.979 8.934 ( 0.405 -1.225 -1.718) 2.148 9.189 ( 9.787 2.917 -0.773) 10.242 9.234 ( 1.192 2.934 4.886) 5.823 9.514 ( -0.027 -1.043 3.945) 4.081 9.691 ( -0.321 -15.703 4.653) 16.381 9.724 ( 2.010 -3.354 2.473) 4.626 9.867 ( -2.237 1.993 1.313) 3.271 10.028 ( 4.957 1.469 3.067) 6.012 10.328 ( -9.508 2.124 -6.432) 11.673 10.503 ( -12.425 -18.475 -0.122) 22.265 10.835 ( -9.433 -5.206 9.636) 14.454 11.337 ( 0.635 -0.258 -11.689) 11.709 11.560 ( 5.341 -5.882 3.335) 8.617 11.806 ( 2.340 1.459 1.644) 3.210 12.097 ( -1.660 8.616 -11.568) 14.519 12.295 ( -0.140 12.160 -5.834) 13.488 12.959 ( 10.531 3.421 10.133) 15.009 13.961 ( 4.228 -22.808 22.312) 32.185 14.378 ( -7.024 3.704 -4.832) 9.295 14.671 ( 14.742 12.137 -6.996) 20.337 15.006 ( -3.551 -7.576 12.690) 15.200 15.130 ( 3.142 2.664 12.969) 13.607 15.416 ( -2.896 -12.218 11.336) 16.917 16.406 ( -12.883 -8.040 2.581) 15.404 16.685 ( 2.057 -0.581 -3.599) 4.186 16.843 ( 15.081 3.828 2.531) 15.763 16.903 ( -6.213 -3.383 -6.803) 9.815 18.075 ( -1.638 -4.887 1.615) 5.402 18.536 ( -1.446 -0.714 2.846) 3.271 18.768 ( 1.144 -0.857 1.078) 1.790 19.066 ( 33.114 -9.417 22.710) 41.242 19.435 ( -36.447 -6.017 -29.694) 47.396 19.789 ( -2.574 3.587 2.288) 4.973 20.461 ( -2.040 -5.471 3.369) 6.741 21.001 ( 1.082 8.694 -15.451) 17.762 21.530 ( 10.556 57.439 -32.622) 66.895 22.689 ( 1.226 1.233 3.098) 3.553 23.015 ( -11.991 -3.541 -4.619) 13.329 23.124 ( 0.836 0.732 -1.969) 2.261 23.234 ( -0.847 1.449 -2.774) 3.242 ======================= Grid point 76 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 7.860 -0.000 18.060) 19.696 1.077 ( 18.698 -0.000 18.221) 26.108 1.690 ( 22.927 -0.000 28.908) 36.896 1.720 ( -9.521 0.000 -9.590) 13.514 2.182 ( -13.474 0.000 2.218) 13.655 2.445 ( 9.134 -0.000 -12.672) 15.620 2.551 ( 0.890 -0.000 1.978) 2.169 2.631 ( -5.907 0.000 6.174) 8.544 2.956 ( 7.513 -0.000 -0.022) 7.513 3.299 ( 17.528 -0.000 -7.825) 19.195 3.571 ( -0.353 0.000 -1.990) 2.021 3.726 ( 6.616 -0.000 5.733) 8.755 3.859 ( -7.240 0.000 5.431) 9.050 4.251 ( -3.373 0.000 -5.043) 6.067 4.488 ( 16.818 -0.000 -2.724) 17.037 4.718 ( -5.537 0.000 -5.222) 7.611 4.769 ( 6.016 -0.000 -7.397) 9.534 4.844 ( -4.559 0.000 7.413) 8.703 5.033 ( 9.456 -0.000 -10.252) 13.948 5.421 ( 10.398 -0.000 6.033) 12.021 5.658 ( -0.276 0.000 3.093) 3.105 5.726 ( 5.754 -0.000 -6.075) 8.368 6.087 ( -10.420 0.000 7.879) 13.063 6.183 ( -4.090 0.000 3.335) 5.278 6.575 ( 5.018 -0.000 -5.716) 7.606 6.760 ( -9.542 0.000 0.100) 9.542 7.002 ( -2.395 0.000 -3.871) 4.552 7.239 ( -5.660 0.000 -9.616) 11.158 7.326 ( -2.270 0.000 7.671) 8.000 7.351 ( -0.416 0.000 -0.537) 0.679 7.532 ( -15.896 0.000 -1.152) 15.938 7.884 ( -10.104 0.000 4.392) 11.018 7.910 ( -6.722 0.000 -11.951) 13.712 8.273 ( 0.195 -0.000 -1.552) 1.564 8.372 ( -8.048 0.000 9.228) 12.244 8.603 ( -3.678 0.000 -5.301) 6.452 8.627 ( 4.299 -0.000 6.866) 8.101 8.701 ( 5.281 -0.000 10.901) 12.113 8.995 ( -9.281 0.000 -3.090) 9.781 9.051 ( 2.943 -0.000 3.460) 4.543 9.278 ( -4.706 0.000 3.758) 6.022 9.390 ( -4.763 0.000 6.844) 8.338 9.414 ( -10.170 0.000 0.298) 10.175 9.703 ( 10.811 -0.000 -0.331) 10.816 9.854 ( -3.792 0.000 1.653) 4.137 9.990 ( -0.415 0.000 6.812) 6.824 10.160 ( 10.971 -0.000 -5.709) 12.367 10.606 ( -1.190 0.000 0.910) 1.498 10.835 ( 7.937 -0.000 5.836) 9.852 11.002 ( 2.600 -0.000 -12.384) 12.654 11.702 ( -0.563 0.000 -3.598) 3.641 11.846 ( -10.165 0.000 1.052) 10.220 11.898 ( -1.638 0.000 8.044) 8.209 12.375 ( 11.390 -0.000 -5.979) 12.864 13.386 ( 1.120 -0.000 0.672) 1.306 13.854 ( -7.529 0.000 -21.014) 22.322 14.476 ( 7.341 -0.000 -4.765) 8.751 14.969 ( -7.691 0.000 9.011) 11.847 14.980 ( -18.678 0.000 17.639) 25.691 15.192 ( 1.022 -0.000 8.823) 8.882 15.495 ( -16.091 0.000 19.294) 25.123 16.551 ( -0.568 0.000 -6.897) 6.920 16.613 ( 18.585 -0.000 -15.216) 24.019 16.643 ( -4.242 0.000 1.525) 4.507 16.720 ( 0.618 -0.000 -1.616) 1.731 17.701 ( 22.895 -0.000 15.897) 27.872 18.351 ( 10.495 -0.000 6.205) 12.192 18.501 ( -0.572 0.000 -4.742) 4.776 18.706 ( -3.615 0.000 3.609) 5.108 19.515 ( -19.129 0.000 2.954) 19.356 19.927 ( -1.229 0.000 -17.532) 17.575 20.522 ( -1.465 0.000 4.265) 4.510 21.020 ( 0.761 -0.000 -4.079) 4.150 22.131 ( 14.128 -0.000 -14.937) 20.560 22.788 ( 0.119 -0.000 6.449) 6.450 22.896 ( 7.994 -0.000 -6.593) 10.362 23.187 ( -0.235 0.000 -3.466) 3.474 23.189 ( 2.822 -0.000 0.795) 2.932 ======================= Grid point 77 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 20.601 -9.109 8.002) 23.904 1.389 ( 17.227 0.690 17.098) 24.281 1.571 ( -7.814 -2.945 -9.884) 12.939 2.029 ( -7.952 3.611 7.844) 11.739 2.190 ( 17.672 -6.222 14.412) 23.637 2.516 ( 0.604 2.115 -2.289) 3.174 2.528 ( 6.415 -1.231 -8.479) 10.704 2.626 ( 1.478 -1.321 3.278) 3.831 3.069 ( 8.145 -2.374 -0.463) 8.497 3.338 ( -0.315 5.811 -3.112) 6.599 3.558 ( -8.391 -6.628 2.736) 11.038 3.732 ( 2.493 10.417 4.917) 11.785 3.939 ( 5.586 -5.011 -1.650) 7.683 4.201 ( -1.137 -1.520 -3.747) 4.200 4.542 ( 6.102 5.858 -6.494) 10.664 4.699 ( 2.747 -5.447 -6.425) 8.860 4.832 ( 11.240 6.615 -0.642) 13.058 4.928 ( 8.132 -2.542 9.139) 12.495 5.098 ( 7.929 1.352 -7.242) 10.824 5.506 ( -1.703 5.158 -0.402) 5.447 5.587 ( 9.311 -2.040 2.805) 9.936 5.779 ( 5.576 -1.846 -7.569) 9.580 6.105 ( -8.725 -7.424 4.980) 12.492 6.267 ( 0.502 -5.738 10.445) 11.928 6.532 ( -9.323 2.297 -8.872) 13.073 6.663 ( -2.490 -0.758 4.470) 5.173 6.924 ( -12.646 0.079 -2.727) 12.937 7.024 ( -2.469 3.861 -8.277) 9.461 7.232 ( -9.248 4.736 1.640) 10.519 7.316 ( -9.568 1.657 -0.068) 9.710 7.465 ( -2.649 -7.209 -1.186) 7.771 7.716 ( -11.614 0.983 -7.843) 14.049 7.793 ( -5.574 0.467 1.510) 5.794 8.209 ( -4.841 -1.612 1.241) 5.251 8.366 ( -5.968 -2.403 3.540) 7.343 8.580 ( -0.774 1.664 3.326) 3.799 8.740 ( 6.074 -2.065 4.152) 7.642 8.809 ( 1.591 -0.334 -0.331) 1.659 8.926 ( 2.954 1.342 -4.137) 5.258 9.054 ( -2.448 -2.477 2.279) 4.162 9.204 ( -4.837 5.329 5.588) 9.112 9.350 ( -4.198 2.644 7.975) 9.392 9.411 ( -4.051 -8.043 0.968) 9.057 9.772 ( -0.056 0.822 0.165) 0.840 9.872 ( 8.142 -0.984 0.897) 8.251 10.014 ( -1.446 -2.835 1.897) 3.706 10.272 ( 11.051 2.363 -2.241) 11.521 10.616 ( 1.394 0.388 3.052) 3.378 10.827 ( -9.387 -5.006 -4.326) 11.484 11.048 ( 9.820 4.515 -4.164) 11.583 11.689 ( -8.595 4.631 2.083) 9.983 11.749 ( 2.648 -5.078 -1.569) 5.938 11.938 ( -0.930 -0.968 8.191) 8.300 12.495 ( 7.239 -3.840 -5.768) 10.020 13.396 ( -1.058 -0.225 3.506) 3.669 13.601 ( -11.788 1.367 -22.566) 25.496 14.511 ( 4.158 1.248 -3.691) 5.698 14.782 ( -1.294 9.893 18.510) 21.028 15.060 ( -5.512 -6.790 7.670) 11.633 15.242 ( 0.501 1.224 7.434) 7.550 15.434 ( -5.890 2.768 10.272) 12.160 16.505 ( 3.058 -2.239 -3.771) 5.346 16.626 ( 4.735 -0.222 -0.061) 4.741 16.690 ( 2.186 2.973 -9.461) 10.155 16.755 ( -3.323 -5.381 -5.344) 8.280 18.072 ( 12.465 -1.955 14.841) 19.480 18.453 ( -3.144 -2.198 -4.803) 6.147 18.519 ( 8.598 6.378 6.597) 12.575 18.718 ( 6.402 -2.006 5.465) 8.653 19.300 ( -23.943 -7.934 5.275) 25.769 19.769 ( 7.391 10.368 -20.149) 23.835 20.479 ( -1.137 5.475 2.829) 6.267 21.062 ( 0.310 -6.617 -5.447) 8.576 22.227 ( 5.478 -4.566 -8.332) 10.967 22.805 ( -0.398 1.595 4.885) 5.154 22.954 ( 2.939 -1.887 -4.183) 5.449 23.158 ( 0.060 0.255 -4.302) 4.310 23.243 ( 3.220 -1.159 0.813) 3.517 ======================= Grid point 78 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 12.713 -7.505 5.948) 15.916 1.524 ( 0.097 -8.095 -5.237) 9.641 1.675 ( 13.613 -1.355 10.446) 17.213 1.935 ( -3.797 4.466 11.082) 12.537 2.211 ( -2.734 13.325 -5.628) 14.721 2.524 ( 4.606 3.211 -3.391) 6.559 2.680 ( 11.591 -5.319 -2.653) 13.026 2.769 ( 8.085 -7.081 3.560) 11.321 3.129 ( -0.093 0.934 -6.021) 6.094 3.214 ( -14.422 1.567 8.814) 16.975 3.466 ( -3.768 6.498 -0.754) 7.549 3.693 ( 5.040 4.829 5.026) 8.601 3.996 ( 3.103 -0.933 -7.389) 8.069 4.214 ( -0.786 -3.227 -2.344) 4.065 4.524 ( 7.577 3.922 -4.787) 9.783 4.825 ( 8.521 7.258 -2.446) 11.458 4.854 ( 7.462 -3.770 2.079) 8.615 5.031 ( 2.607 7.898 -1.215) 8.405 5.212 ( 7.989 -8.324 7.872) 13.967 5.574 ( 9.354 -7.373 -6.073) 13.370 5.786 ( 7.061 -1.409 -2.531) 7.632 5.819 ( 4.860 -3.296 -3.318) 6.745 6.093 ( -5.671 -0.178 2.828) 6.340 6.229 ( -9.373 3.002 -5.789) 11.418 6.358 ( -9.257 0.507 6.386) 11.257 6.626 ( -11.474 1.900 -1.770) 11.764 6.787 ( 1.880 -5.371 2.515) 6.221 7.019 ( -12.281 3.388 -2.478) 12.979 7.073 ( 3.594 -4.009 -4.442) 6.980 7.191 ( -8.753 -1.150 5.756) 10.539 7.376 ( -7.915 4.677 -5.360) 10.642 7.634 ( -5.581 -7.696 -4.089) 10.348 7.772 ( -5.132 -5.314 4.584) 8.694 8.224 ( -3.024 -2.763 -3.465) 5.365 8.333 ( -1.966 -1.228 6.769) 7.154 8.566 ( -2.732 -0.577 5.305) 5.994 8.697 ( -1.840 7.770 -3.820) 8.852 8.867 ( -3.930 -5.112 4.280) 7.739 8.964 ( 10.551 4.981 -3.918) 12.308 9.056 ( -5.623 1.994 -0.451) 5.983 9.136 ( -0.851 -5.670 3.482) 6.708 9.344 ( -2.707 -1.613 8.543) 9.106 9.498 ( -0.911 -6.991 -0.301) 7.056 9.769 ( 0.947 0.549 -2.034) 2.310 9.999 ( 6.112 0.130 3.801) 7.199 10.078 ( 2.356 -5.731 0.417) 6.210 10.314 ( 5.710 6.234 -0.077) 8.454 10.634 ( 2.014 3.130 2.393) 4.425 10.773 ( -5.151 -4.806 -4.309) 8.258 11.048 ( 6.260 5.032 -3.702) 8.844 11.521 ( -8.003 5.212 2.883) 9.976 11.868 ( 3.638 -5.618 -0.580) 6.718 11.985 ( -0.423 0.109 7.468) 7.481 12.586 ( 3.023 -4.069 -6.089) 7.923 13.306 ( -13.069 -0.125 -20.533) 24.340 13.414 ( -2.440 -1.482 7.116) 7.667 14.555 ( 4.662 1.022 7.108) 8.562 14.768 ( 1.931 4.840 6.175) 8.080 15.111 ( -3.032 -2.122 6.897) 7.827 15.256 ( -1.495 0.900 6.248) 6.487 15.368 ( -0.508 5.895 3.646) 6.950 16.543 ( -0.961 7.452 -14.482) 16.315 16.582 ( -1.538 -6.131 2.417) 6.767 16.712 ( 2.626 0.444 -3.625) 4.498 16.831 ( 5.472 -12.973 -0.703) 14.097 18.127 ( -2.975 5.865 -2.309) 6.970 18.403 ( -4.252 5.675 1.311) 7.211 18.528 ( 6.948 2.054 7.451) 10.393 18.906 ( 2.646 -1.532 6.946) 7.589 19.270 ( -6.417 -10.930 10.823) 16.666 19.656 ( 9.620 6.493 -14.136) 18.290 20.391 ( -0.783 6.024 0.810) 6.129 21.130 ( 0.594 -6.584 -7.008) 9.634 22.301 ( 2.773 -3.408 -5.021) 6.672 22.784 ( -1.715 2.299 2.623) 3.886 22.978 ( -1.064 -1.675 -0.015) 1.985 23.140 ( 0.505 -0.915 -5.431) 5.531 23.305 ( 3.320 -0.854 0.437) 3.456 ======================= Grid point 79 (33/114) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -4.804 -6.028 5.797) 9.645 1.782 ( 9.907 -3.556 -0.855) 10.561 1.832 ( 1.292 5.628 0.455) 5.792 1.892 ( -1.492 6.814 6.528) 9.553 2.013 ( 8.525 0.788 4.999) 9.914 2.517 ( 7.275 4.345 -3.213) 9.063 2.772 ( 1.752 4.622 -6.851) 8.448 2.922 ( -2.553 3.554 -2.376) 4.979 3.030 ( -5.380 -1.028 3.639) 6.576 3.091 ( -2.448 -5.289 3.459) 6.777 3.360 ( -1.681 5.138 0.855) 5.473 3.738 ( 5.758 1.742 1.548) 6.212 4.017 ( 5.924 -0.298 -7.803) 9.802 4.249 ( 3.194 -1.285 -0.636) 3.501 4.540 ( 5.370 5.091 -2.963) 7.971 4.759 ( 3.762 10.240 -0.387) 10.916 4.939 ( 0.099 3.017 -1.189) 3.244 4.989 ( -0.326 -0.297 2.421) 2.461 5.257 ( -9.250 7.159 4.614) 12.573 5.630 ( 0.107 5.706 -12.882) 14.089 5.826 ( 2.258 -7.466 -3.773) 8.664 5.945 ( 0.277 6.581 1.682) 6.798 5.991 ( 1.088 -2.063 -1.936) 3.031 6.244 ( 0.972 -11.008 1.556) 11.160 6.347 ( 3.790 -3.399 1.231) 5.238 6.489 ( -6.425 -1.018 -2.206) 6.869 6.832 ( -5.634 -1.459 1.969) 6.144 6.944 ( 3.841 -3.571 2.845) 5.967 7.060 ( -4.533 -0.682 -1.110) 4.716 7.152 ( -6.658 -1.378 6.857) 9.657 7.391 ( 1.279 -11.608 1.153) 11.735 7.663 ( 1.326 -6.697 -8.385) 10.813 7.829 ( -6.128 -6.104 3.027) 9.164 8.155 ( -2.480 -1.675 -1.379) 3.295 8.449 ( -4.569 -5.510 7.949) 10.697 8.540 ( -2.651 3.076 1.389) 4.291 8.592 ( -2.190 -2.260 5.429) 6.275 8.801 ( -6.270 3.174 -0.377) 7.038 8.997 ( 8.387 2.588 -0.962) 8.829 9.055 ( 1.255 -1.415 -2.054) 2.792 9.208 ( 2.150 -1.903 -1.019) 3.047 9.388 ( -0.439 -2.018 2.297) 3.088 9.577 ( -0.682 -5.361 1.096) 5.514 9.726 ( -2.892 2.231 -4.225) 5.585 10.042 ( -4.699 -2.439 4.850) 7.179 10.212 ( 7.709 0.178 0.756) 7.748 10.260 ( 1.851 6.509 0.894) 6.826 10.615 ( 3.594 5.193 1.574) 6.508 10.777 ( 0.710 -1.578 -1.181) 2.095 11.067 ( 7.973 1.564 -2.710) 8.565 11.393 ( -5.177 2.625 3.283) 6.668 11.971 ( -6.171 -4.375 -1.771) 7.769 11.985 ( 4.989 2.308 5.942) 8.094 12.617 ( 0.454 -2.543 -8.120) 8.521 13.085 ( -10.959 -3.869 -13.126) 17.532 13.457 ( -3.932 -3.066 11.019) 12.095 14.653 ( 4.957 6.302 17.962) 19.670 14.745 ( -0.215 -3.437 -8.106) 8.808 15.109 ( -2.100 5.019 9.180) 10.671 15.232 ( -2.372 2.201 -3.726) 4.935 15.292 ( -1.951 3.985 4.970) 6.663 16.382 ( 0.490 1.397 -12.930) 13.014 16.647 ( -1.346 -2.853 1.619) 3.546 16.719 ( 0.232 -3.163 -2.795) 4.228 17.142 ( 12.853 -11.784 -0.857) 17.459 17.900 ( -4.896 12.196 -7.207) 14.988 18.294 ( -0.871 5.266 0.680) 5.381 18.618 ( -0.667 -4.727 3.386) 5.853 18.916 ( -5.237 -0.604 5.181) 7.391 19.459 ( 3.516 -2.210 15.173) 15.732 19.682 ( 10.994 0.066 -5.866) 12.462 20.305 ( -0.971 4.420 -0.223) 4.531 21.185 ( 1.113 -4.877 -7.593) 9.093 22.334 ( 1.827 -0.585 -4.650) 5.030 22.735 ( -2.552 1.954 2.193) 3.891 22.983 ( -2.530 -1.789 1.549) 3.464 23.134 ( 0.606 -1.170 -5.105) 5.272 23.346 ( 2.431 0.213 -0.792) 2.566 ======================= Grid point 80 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.509 19.311 4.704) 19.882 1.626 ( -1.460 1.580 6.780) 7.113 1.822 ( -5.257 5.392 6.977) 10.266 1.970 ( 6.226 -8.179 -0.590) 10.295 2.270 ( 10.300 -8.008 -0.936) 13.080 2.514 ( 2.102 3.581 -2.544) 4.870 2.626 ( 1.901 11.749 1.171) 11.959 2.729 ( -5.388 6.068 -2.737) 8.564 3.009 ( -7.770 4.602 5.957) 10.818 3.183 ( 3.354 -0.340 -0.786) 3.461 3.306 ( -2.193 -4.334 -0.944) 4.948 3.768 ( 1.232 1.176 -2.663) 3.161 4.065 ( 6.373 -1.253 -9.773) 11.734 4.317 ( 9.057 5.559 -1.737) 10.768 4.439 ( -1.032 7.983 1.870) 8.264 4.625 ( -9.275 3.480 -0.980) 9.954 4.844 ( -4.080 8.875 7.299) 12.193 4.917 ( 4.612 4.143 -5.922) 8.574 5.159 ( -0.602 1.634 5.905) 6.156 5.444 ( -2.643 9.736 -8.263) 13.040 5.602 ( -16.972 8.556 -3.673) 19.358 5.932 ( 2.561 2.509 2.464) 4.350 6.114 ( 0.805 -2.101 -3.050) 3.790 6.257 ( -4.990 -6.493 -4.368) 9.281 6.526 ( 8.268 -7.516 -0.415) 11.182 6.610 ( 7.219 -8.949 0.771) 11.523 6.892 ( -2.577 -8.242 3.546) 9.336 7.013 ( -5.216 -4.266 3.494) 7.590 7.122 ( -4.588 -0.477 3.312) 5.678 7.202 ( 17.507 -7.155 4.043) 19.340 7.541 ( -1.405 -5.694 2.336) 6.312 7.737 ( -5.686 -5.356 -4.467) 8.999 7.863 ( 5.343 -10.641 -9.482) 15.222 8.253 ( 1.419 -7.229 6.364) 9.735 8.316 ( -11.577 0.885 -1.032) 11.657 8.616 ( -4.273 -2.056 5.880) 7.554 8.643 ( -3.877 -1.063 11.949) 12.607 8.711 ( -0.544 -3.480 -0.369) 3.542 9.074 ( 7.765 0.776 -1.897) 8.031 9.104 ( 7.842 -0.235 -1.600) 8.007 9.237 ( 6.548 2.279 -3.910) 7.960 9.390 ( 1.470 4.473 -0.883) 4.790 9.595 ( -7.632 1.519 -1.548) 7.934 9.643 ( -2.438 -4.789 1.141) 5.494 10.013 ( -8.910 -1.697 5.879) 10.808 10.195 ( -0.612 5.934 -2.355) 6.413 10.221 ( 4.126 5.821 0.105) 7.136 10.568 ( -3.765 3.314 -0.465) 5.037 10.867 ( 12.287 0.907 2.649) 12.602 11.173 ( 9.689 -0.693 1.571) 9.840 11.362 ( -1.102 -0.504 3.909) 4.092 11.857 ( -10.384 0.203 -3.056) 10.827 12.074 ( 3.337 -1.811 2.015) 4.298 12.586 ( 0.132 -0.487 -11.705) 11.716 12.997 ( -6.576 -4.810 -2.964) 8.670 13.517 ( -5.729 -4.065 14.966) 16.533 14.625 ( -3.482 2.153 0.787) 4.169 14.845 ( 5.450 -3.621 3.948) 7.642 14.932 ( -6.936 14.252 -0.691) 15.865 15.158 ( -1.518 0.145 -1.270) 1.985 15.274 ( -1.817 1.954 8.174) 8.599 16.388 ( 3.205 -5.447 -9.770) 11.636 16.654 ( 0.454 -0.256 -2.424) 2.480 16.766 ( -1.097 -4.473 -0.961) 4.705 17.351 ( 13.312 12.160 -1.567) 18.098 17.731 ( -0.738 -5.366 -3.431) 6.412 18.249 ( 0.931 0.524 1.495) 1.838 18.709 ( -0.898 -7.726 1.216) 7.872 18.865 ( -6.443 -0.282 2.090) 6.779 19.503 ( -3.129 3.032 3.143) 5.373 19.863 ( 12.855 -1.026 7.652) 14.995 20.243 ( -1.442 1.658 -0.152) 2.203 21.206 ( 1.439 -1.197 -7.249) 7.487 22.309 ( 2.311 2.519 -8.476) 9.139 22.707 ( -1.631 0.306 3.663) 4.021 22.978 ( -3.685 -1.450 1.757) 4.332 23.132 ( 0.895 -0.730 -3.988) 4.151 23.347 ( 1.042 1.520 -2.513) 3.116 ======================= Grid point 81 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 2.051 23.031 7.791) 24.400 1.399 ( -13.103 19.572 13.057) 26.930 1.910 ( 6.375 -4.893 -0.858) 8.082 2.171 ( 7.202 -1.087 3.829) 8.229 2.291 ( -8.150 1.851 -11.769) 14.434 2.414 ( -0.313 12.604 1.686) 12.720 2.466 ( 0.909 9.598 3.441) 10.236 2.750 ( 6.148 -4.570 5.546) 9.458 2.811 ( -10.753 2.701 3.701) 11.688 3.235 ( 0.250 -3.359 -1.807) 3.822 3.330 ( 1.164 1.688 -2.116) 2.946 3.714 ( -4.234 0.752 0.980) 4.410 4.050 ( 0.171 4.189 -6.353) 7.611 4.228 ( 2.591 5.489 -5.308) 8.064 4.393 ( 2.550 1.872 2.007) 3.746 4.601 ( 4.989 1.112 4.925) 7.098 4.810 ( -0.090 -0.240 1.754) 1.773 4.867 ( 2.406 4.321 -3.614) 6.126 5.099 ( -4.565 6.031 3.046) 8.154 5.186 ( -6.313 10.862 -4.859) 13.470 5.353 ( -4.275 2.705 -1.839) 5.383 5.957 ( -3.384 -2.804 -8.613) 9.669 6.069 ( -0.061 -2.480 9.336) 9.660 6.374 ( 7.312 -3.426 -5.056) 9.527 6.677 ( 5.795 0.946 0.388) 5.885 6.720 ( -3.299 -0.813 6.541) 7.370 7.019 ( -4.722 -6.599 1.917) 8.338 7.051 ( -2.456 -9.402 0.987) 9.767 7.138 ( 5.253 -4.104 2.259) 7.039 7.488 ( -8.408 -4.029 -5.255) 10.702 7.592 ( 14.181 -8.296 -1.263) 16.478 7.758 ( 6.444 -0.470 -2.297) 6.857 7.996 ( -6.341 -10.281 -8.917) 15.014 8.221 ( -6.267 -4.622 0.343) 7.794 8.393 ( 4.089 -3.057 4.633) 6.894 8.565 ( -6.332 3.625 6.261) 9.615 8.654 ( -0.741 -5.371 8.208) 9.837 8.808 ( -1.143 -0.424 6.794) 6.903 9.128 ( 4.668 9.233 -7.486) 12.770 9.217 ( 7.097 -9.059 0.261) 11.511 9.263 ( -1.228 2.783 -2.550) 3.969 9.329 ( 6.744 1.033 -0.228) 6.826 9.553 ( 1.531 1.591 6.483) 6.849 9.662 ( -5.279 -4.771 0.025) 7.115 9.927 ( -10.143 1.184 3.072) 10.663 10.085 ( 2.360 4.752 -0.594) 5.339 10.205 ( 0.477 1.237 0.444) 1.399 10.427 ( -7.601 3.744 -3.655) 9.227 10.997 ( 8.361 5.544 3.148) 10.514 11.306 ( 1.226 1.666 -2.538) 3.274 11.381 ( 0.448 -5.138 6.313) 8.152 11.772 ( 0.062 -3.770 -0.093) 3.772 12.131 ( 1.073 -1.269 -0.128) 1.667 12.504 ( -0.475 2.279 -14.989) 15.169 13.017 ( 2.273 -1.577 5.592) 6.239 13.604 ( -6.284 -6.391 20.252) 22.147 14.539 ( -5.642 -0.935 -17.540) 18.448 14.639 ( -10.035 7.812 6.417) 14.245 14.977 ( 4.962 -1.179 5.107) 7.217 15.163 ( -0.330 -1.614 4.958) 5.225 15.267 ( 0.448 3.098 6.267) 7.005 16.415 ( -1.409 -0.856 -7.551) 7.729 16.656 ( 1.705 -0.861 -3.601) 4.076 16.803 ( -0.715 -3.733 -3.278) 5.019 17.229 ( 11.728 20.004 2.805) 23.358 17.874 ( -0.369 -10.155 0.148) 10.163 18.367 ( 4.857 -7.914 5.601) 10.843 18.745 ( -2.715 2.458 -0.306) 3.675 18.885 ( -0.535 -12.593 -2.073) 12.773 19.329 ( -15.318 4.286 -8.166) 17.879 20.030 ( 10.518 6.895 8.147) 14.985 20.248 ( -1.804 -5.727 1.836) 6.279 21.180 ( 3.969 4.201 -4.637) 7.410 22.239 ( 7.428 5.923 -16.853) 19.346 22.719 ( -0.589 -0.214 4.614) 4.656 22.945 ( -5.293 -0.389 1.754) 5.590 23.135 ( 1.421 -0.118 -2.577) 2.945 23.304 ( -0.052 2.720 -4.027) 4.860 ======================= Grid point 82 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -4.111 21.981 11.910) 25.336 1.035 ( -12.319 20.421 20.224) 31.269 1.722 ( -1.000 34.541 7.032) 35.264 2.023 ( -2.050 4.481 3.425) 6.001 2.299 ( -1.052 -4.020 -6.944) 8.092 2.419 ( 8.924 -2.529 -5.409) 10.738 2.484 ( 3.136 -3.322 2.234) 5.085 2.693 ( -4.359 2.422 3.693) 6.205 2.841 ( -14.603 -8.161 -1.239) 16.775 3.241 ( 5.900 3.081 -6.489) 9.296 3.312 ( 8.428 5.155 3.926) 10.631 3.679 ( -3.170 3.696 7.027) 8.549 3.972 ( 2.563 4.032 3.876) 6.152 4.233 ( 1.129 -3.925 -5.363) 6.741 4.459 ( -1.735 -0.991 0.020) 1.998 4.567 ( 0.740 1.197 0.008) 1.408 4.766 ( -2.503 -1.643 -5.021) 5.846 4.905 ( 3.611 -0.283 -4.544) 5.811 5.063 ( 5.173 -1.855 6.682) 8.652 5.092 ( 8.832 3.700 1.087) 9.637 5.257 ( -2.720 4.429 -2.049) 5.587 5.873 ( -4.273 -1.190 -8.238) 9.356 6.229 ( 2.197 -5.029 8.185) 9.855 6.401 ( 2.211 5.116 -1.325) 5.728 6.609 ( -4.452 8.056 7.143) 11.651 6.777 ( 2.505 -2.611 2.740) 4.539 7.029 ( -0.125 -1.216 -2.184) 2.503 7.132 ( -5.320 -8.269 0.910) 9.875 7.324 ( 4.625 -5.748 -4.068) 8.425 7.399 ( -6.300 -6.283 -4.484) 9.964 7.740 ( 3.338 -0.619 -5.072) 6.103 7.882 ( 0.814 -1.613 -1.108) 2.119 7.994 ( -0.981 -10.148 -1.074) 10.251 8.212 ( -2.573 -1.062 -4.489) 5.282 8.459 ( -1.403 2.735 1.349) 3.357 8.517 ( 0.149 -0.883 10.867) 10.904 8.760 ( -4.464 1.826 3.532) 5.977 8.872 ( 5.697 -5.000 7.704) 10.808 8.917 ( -2.302 8.349 -6.036) 10.556 9.206 ( -0.910 2.206 -2.944) 3.790 9.330 ( -3.574 3.599 0.076) 5.073 9.440 ( -6.583 -12.255 7.012) 15.578 9.575 ( 0.712 1.750 4.844) 5.199 9.726 ( 4.902 -4.174 1.233) 6.555 9.809 ( -6.862 -1.810 2.837) 7.643 10.108 ( -0.288 0.282 0.234) 0.466 10.135 ( -11.788 4.289 -2.073) 12.714 10.340 ( 11.206 0.674 -1.787) 11.367 10.843 ( -10.710 12.319 -0.103) 16.325 11.211 ( -3.240 -1.690 -8.570) 9.317 11.573 ( 4.329 -7.783 5.866) 10.665 11.903 ( 3.105 -1.113 5.448) 6.369 12.159 ( 3.803 -0.527 -1.505) 4.124 12.320 ( -0.120 9.981 -16.946) 19.667 13.181 ( 12.209 -2.316 5.876) 13.746 13.834 ( -0.607 -16.587 28.522) 33.000 14.311 ( -6.626 2.525 -15.286) 16.851 14.585 ( -9.617 -7.958 7.813) 14.726 15.041 ( 3.393 1.865 2.805) 4.781 15.226 ( -3.548 -3.981 1.125) 5.450 15.330 ( 7.476 -3.025 12.044) 14.495 16.302 ( -4.017 6.619 -2.562) 8.156 16.678 ( 1.865 -1.243 -3.241) 3.941 16.794 ( -2.819 -1.175 -6.317) 7.017 17.158 ( 8.117 12.689 9.137) 17.618 17.996 ( -0.459 -5.764 0.661) 5.820 18.486 ( -11.656 -3.389 0.864) 12.170 18.591 ( -17.449 7.403 -11.215) 22.024 18.852 ( -11.954 7.341 -11.281) 18.001 19.229 ( 17.097 -14.283 -3.332) 22.526 20.034 ( -2.927 4.281 8.941) 10.336 20.344 ( -1.213 -7.855 1.537) 8.095 21.165 ( 7.675 6.555 -0.232) 10.096 22.142 ( 21.701 15.587 -30.194) 40.318 22.730 ( -2.036 0.282 4.721) 5.149 22.879 ( -3.602 2.319 2.653) 5.039 23.143 ( 1.832 0.545 -1.206) 2.260 23.240 ( 0.050 2.342 -3.722) 4.398 ======================= Grid point 85 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 27.487 -0.000 3.631) 27.726 1.382 ( -9.590 0.000 -4.656) 10.660 1.681 ( 12.168 -0.000 7.140) 14.108 2.040 ( -1.983 0.000 11.283) 11.455 2.462 ( 17.104 -0.000 10.895) 20.279 2.540 ( 7.945 -0.000 -13.184) 15.393 2.590 ( 2.429 -0.000 -0.615) 2.506 2.603 ( 1.350 -0.000 -3.676) 3.916 3.117 ( 3.120 -0.000 -0.179) 3.125 3.296 ( -16.345 0.000 11.364) 19.907 3.471 ( 1.262 -0.000 -1.341) 1.841 3.916 ( 1.300 -0.000 6.771) 6.894 3.921 ( 7.304 -0.000 -5.847) 9.356 4.145 ( -2.565 0.000 -1.477) 2.960 4.642 ( 8.242 -0.000 -15.905) 17.914 4.649 ( 6.300 -0.000 -0.088) 6.300 5.072 ( 9.823 -0.000 11.434) 15.074 5.157 ( 20.713 -0.000 1.985) 20.808 5.177 ( 12.240 -0.000 -9.876) 15.727 5.450 ( -7.560 0.000 -4.183) 8.640 5.696 ( 8.630 -0.000 2.712) 9.046 5.767 ( 4.441 -0.000 -9.505) 10.491 5.989 ( -6.414 0.000 10.986) 12.721 6.314 ( 0.075 -0.000 11.450) 11.451 6.359 ( -15.126 0.000 -5.675) 16.155 6.688 ( 3.765 -0.000 2.045) 4.284 6.704 ( -17.374 0.000 -2.241) 17.518 6.888 ( -10.494 0.000 -11.990) 15.934 7.186 ( -4.133 0.000 -4.811) 6.343 7.266 ( -9.478 0.000 -1.169) 9.550 7.282 ( -6.424 0.000 4.096) 7.619 7.521 ( -13.165 0.000 -5.103) 14.119 7.744 ( -5.504 0.000 1.410) 5.682 8.123 ( -2.544 0.000 -3.917) 4.671 8.326 ( -4.541 0.000 8.979) 10.062 8.568 ( -6.093 0.000 4.585) 7.626 8.713 ( -5.988 0.000 -1.525) 6.179 8.922 ( -5.475 0.000 -2.745) 6.125 8.953 ( 10.644 -0.000 1.522) 10.753 9.019 ( 10.953 -0.000 -2.663) 11.272 9.245 ( -8.252 0.000 7.438) 11.109 9.303 ( -1.413 0.000 4.310) 4.536 9.433 ( 0.443 -0.000 7.682) 7.694 9.701 ( -5.572 0.000 -0.775) 5.625 9.974 ( 8.637 -0.000 -2.115) 8.893 9.989 ( 1.555 -0.000 -0.644) 1.683 10.432 ( 11.265 -0.000 -0.559) 11.279 10.644 ( -7.026 0.000 -5.829) 9.129 10.685 ( 4.691 -0.000 4.070) 6.210 11.127 ( 2.052 -0.000 -3.060) 3.685 11.623 ( -9.275 0.000 2.555) 9.620 11.759 ( 3.043 -0.000 1.147) 3.252 11.995 ( 2.664 -0.000 11.545) 11.849 12.523 ( 5.496 -0.000 -4.941) 7.391 13.310 ( -15.024 0.000 -23.385) 27.795 13.394 ( -2.520 0.000 5.314) 5.881 14.501 ( 3.605 -0.000 -11.931) 12.464 14.915 ( -1.927 0.000 11.108) 11.274 15.073 ( 3.953 -0.000 14.411) 14.943 15.277 ( -2.829 0.000 8.237) 8.709 15.455 ( -3.991 0.000 11.965) 12.613 16.407 ( -3.520 0.000 -8.008) 8.748 16.619 ( 0.733 -0.000 -0.061) 0.735 16.709 ( 0.545 -0.000 -2.923) 2.973 16.789 ( 8.196 -0.000 -9.582) 12.609 18.216 ( -4.032 0.000 10.171) 10.941 18.329 ( -6.272 0.000 -5.453) 8.311 18.747 ( 2.883 -0.000 2.154) 3.599 18.826 ( 7.664 -0.000 11.082) 13.474 19.096 ( 3.828 -0.000 12.775) 13.336 19.785 ( 4.907 -0.000 -24.692) 25.174 20.513 ( -2.928 0.000 3.933) 4.903 20.994 ( 0.672 -0.000 -3.894) 3.952 22.224 ( 5.447 -0.000 -6.654) 8.599 22.828 ( -2.702 0.000 5.463) 6.095 22.939 ( 0.780 -0.000 -4.055) 4.130 23.133 ( 0.040 -0.000 -5.621) 5.621 23.286 ( 3.426 -0.000 1.954) 3.944 ======================= Grid point 86 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -12.223 -5.367 1.274) 13.411 1.638 ( 21.635 -3.221 2.411) 22.006 1.781 ( 2.295 -0.271 0.073) 2.312 2.113 ( 6.815 4.067 10.931) 13.508 2.379 ( 0.974 15.406 -4.082) 15.968 2.562 ( 5.167 -1.359 -12.395) 13.498 2.738 ( 9.123 -6.604 -6.996) 13.259 2.775 ( 9.243 -6.370 5.891) 12.677 3.050 ( -18.055 0.758 11.247) 21.285 3.191 ( 0.211 6.420 2.413) 6.862 3.467 ( -1.860 -0.003 -0.349) 1.892 3.874 ( 3.715 7.812 0.538) 8.667 4.023 ( 5.495 -0.660 -1.108) 5.644 4.158 ( 1.500 -3.787 1.764) 4.439 4.641 ( 10.169 2.707 -11.566) 15.636 4.803 ( 4.400 -5.369 0.147) 6.943 5.100 ( 2.495 8.898 0.131) 9.242 5.283 ( 11.954 12.865 2.869) 17.794 5.297 ( 9.325 0.197 4.804) 10.491 5.520 ( 8.763 -8.424 -6.910) 13.982 5.775 ( 2.216 -0.450 -7.497) 7.830 5.849 ( 7.312 -3.861 -0.369) 8.277 6.015 ( -2.535 -3.338 -0.461) 4.216 6.147 ( -9.170 0.896 4.886) 10.429 6.317 ( -7.785 0.417 4.769) 9.140 6.487 ( -9.589 1.116 1.780) 9.817 6.730 ( -10.935 -4.891 -3.901) 12.598 6.810 ( 3.734 -6.561 -2.711) 8.021 7.030 ( -7.238 1.844 -6.903) 10.171 7.115 ( -5.820 3.956 1.294) 7.155 7.276 ( -7.575 -1.562 -0.805) 7.776 7.439 ( -7.267 -10.548 4.607) 13.612 7.667 ( -4.164 0.609 0.597) 4.250 8.128 ( -1.258 -3.216 -5.270) 6.301 8.304 ( -5.819 -2.322 3.518) 7.185 8.517 ( -5.326 -0.771 3.970) 6.687 8.589 ( -11.601 -2.293 -0.836) 11.855 8.864 ( -1.387 2.390 1.266) 3.039 9.032 ( -6.130 4.477 2.742) 8.071 9.112 ( 4.496 -2.459 2.746) 5.814 9.206 ( 12.194 4.053 -2.853) 13.163 9.283 ( -5.567 -1.330 3.055) 6.488 9.482 ( 2.246 -1.376 7.647) 8.088 9.711 ( -3.612 -5.852 -0.429) 6.891 9.983 ( 0.065 1.350 -4.518) 4.716 10.103 ( 6.396 -5.423 -0.560) 8.405 10.474 ( 5.393 7.202 -0.817) 9.034 10.649 ( 5.333 -4.366 -3.199) 7.598 10.766 ( 4.828 1.009 4.688) 6.805 11.115 ( 0.864 0.842 -1.953) 2.295 11.499 ( -8.016 3.210 2.692) 9.045 11.799 ( -3.276 -3.860 2.410) 5.607 12.103 ( 6.202 2.881 10.527) 12.553 12.561 ( 3.051 -1.084 -4.783) 5.776 13.008 ( -13.801 -1.230 -19.408) 23.846 13.397 ( -3.514 -1.043 7.725) 8.550 14.521 ( 3.767 -5.009 -10.244) 12.009 14.936 ( 1.313 3.811 6.849) 7.947 15.153 ( 1.692 4.836 10.612) 11.784 15.274 ( -4.030 0.526 9.174) 10.034 15.458 ( -1.851 2.007 7.588) 8.064 16.363 ( -5.153 -5.882 -9.502) 12.306 16.597 ( 0.007 4.277 -2.460) 4.934 16.703 ( 0.498 -0.067 -2.737) 2.783 16.865 ( 11.275 -4.537 -4.641) 13.010 18.077 ( -13.756 0.877 -3.079) 14.124 18.268 ( -8.361 -5.054 -0.115) 9.770 18.732 ( 3.110 8.554 0.125) 9.102 18.899 ( 1.420 -0.135 6.213) 6.375 19.427 ( 18.825 -0.503 24.414) 30.833 19.702 ( 5.331 1.062 -20.544) 21.252 20.460 ( -2.679 4.235 3.055) 5.869 21.022 ( 0.818 -5.027 -4.541) 6.824 22.273 ( 4.188 -2.101 -5.497) 7.222 22.797 ( -3.628 1.733 3.417) 5.277 22.932 ( -1.787 -1.550 -0.694) 2.465 23.108 ( 0.828 -0.456 -6.095) 6.168 23.340 ( 2.762 -0.402 1.225) 3.048 ======================= Grid point 87 (39/114) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -8.428 -13.406 8.992) 18.210 1.797 ( 1.872 -2.134 -5.827) 6.482 1.878 ( 5.192 -0.381 3.609) 6.335 2.096 ( 2.225 10.901 0.454) 11.135 2.248 ( 7.268 9.177 7.928) 14.138 2.603 ( 5.722 0.165 -6.566) 8.711 2.767 ( -4.965 2.358 -3.481) 6.506 2.942 ( -0.157 -4.401 -0.245) 4.411 2.990 ( 1.349 0.418 4.396) 4.617 3.096 ( 5.161 3.927 0.124) 6.486 3.407 ( -3.098 4.612 -0.245) 5.561 3.812 ( 0.975 3.587 -1.929) 4.187 4.071 ( 5.665 1.616 -4.481) 7.401 4.301 ( 6.841 -3.777 6.571) 10.210 4.687 ( 11.097 4.555 -5.159) 13.058 4.770 ( -11.961 2.836 -3.547) 12.794 5.045 ( 5.302 6.066 2.212) 8.354 5.236 ( 12.318 16.117 5.548) 21.030 5.319 ( -2.483 8.547 1.734) 9.068 5.590 ( -3.972 -1.374 -10.587) 11.390 5.752 ( 2.326 1.798 -5.923) 6.612 5.931 ( 4.822 -5.691 -6.227) 9.716 6.046 ( -1.208 3.239 5.300) 6.327 6.145 ( -3.659 -4.240 4.780) 7.364 6.285 ( -3.590 -6.314 -2.524) 7.689 6.459 ( 4.153 -0.417 3.516) 5.457 6.634 ( -11.105 -7.542 -2.021) 13.575 6.882 ( -8.286 -7.736 -3.607) 11.896 7.039 ( -0.129 -6.168 3.779) 7.234 7.066 ( 5.985 -1.106 5.130) 7.960 7.262 ( 0.384 -5.448 -2.337) 5.940 7.553 ( -4.028 -8.539 6.542) 11.486 7.679 ( 0.017 -5.677 -2.427) 6.174 8.029 ( -10.932 -1.962 -4.285) 11.905 8.321 ( -6.241 -5.874 -0.655) 8.595 8.509 ( -2.201 -2.845 4.542) 5.794 8.533 ( -4.778 -2.517 4.087) 6.773 8.758 ( -8.456 2.711 2.895) 9.340 8.977 ( -0.783 -3.386 0.006) 3.476 9.186 ( 6.879 5.287 -1.917) 8.885 9.234 ( 0.746 -2.787 0.842) 3.005 9.348 ( 3.891 -3.602 0.200) 5.306 9.572 ( 2.367 -0.923 5.395) 5.963 9.688 ( -4.563 1.132 -3.969) 6.153 9.925 ( -5.584 -2.331 -2.305) 6.476 10.245 ( 4.001 -4.335 -1.192) 6.018 10.430 ( 6.517 9.491 -0.480) 11.524 10.739 ( 3.609 3.480 -0.017) 5.014 10.843 ( 8.455 -0.781 2.269) 8.789 11.144 ( 3.707 -1.494 2.262) 4.593 11.396 ( -2.770 2.223 3.457) 4.957 11.787 ( -10.269 -4.253 0.308) 11.119 12.150 ( 4.560 6.292 5.446) 9.489 12.572 ( 1.636 -0.379 -7.255) 7.447 12.833 ( -7.854 -4.864 -6.379) 11.227 13.421 ( -4.477 -2.416 10.588) 11.747 14.605 ( 2.517 -7.329 -11.217) 13.633 14.888 ( 0.481 9.388 8.107) 12.413 15.136 ( -1.733 0.374 1.090) 2.081 15.254 ( -4.209 3.102 7.631) 9.251 15.410 ( -0.897 7.962 7.071) 10.686 16.281 ( -2.918 -1.961 -14.268) 14.695 16.579 ( -1.263 -3.024 2.652) 4.216 16.694 ( 1.029 0.081 -3.361) 3.516 17.154 ( 16.254 -12.367 -3.054) 20.651 17.876 ( -11.117 0.562 -7.664) 13.515 18.268 ( -7.015 -6.856 4.496) 10.790 18.582 ( -0.400 11.871 -1.973) 12.040 18.922 ( 0.384 2.603 1.683) 3.124 19.665 ( 3.537 1.939 -12.883) 13.500 19.760 ( 13.081 0.185 23.580) 26.966 20.385 ( -0.110 5.037 2.274) 5.528 21.094 ( 1.886 -5.985 -4.627) 7.797 22.309 ( 1.890 -1.298 -5.617) 6.067 22.740 ( -3.334 1.835 2.979) 4.833 22.931 ( -2.425 -1.919 1.232) 3.329 23.102 ( 1.503 -1.057 -5.298) 5.607 23.371 ( 1.459 0.161 -0.677) 1.616 ======================= Grid point 88 (40/114) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 2.518 -17.160 9.793) 19.918 1.771 ( -5.416 6.733 6.788) 10.988 1.827 ( 1.607 6.983 -6.963) 9.991 2.017 ( 1.648 7.159 5.920) 9.434 2.261 ( 0.439 0.077 3.438) 3.467 2.558 ( -0.706 3.405 -1.664) 3.855 2.726 ( -0.722 3.435 -2.546) 4.336 2.866 ( 3.108 9.773 2.779) 10.625 3.007 ( 3.177 -3.805 -5.923) 7.724 3.234 ( -4.401 5.142 -1.888) 7.026 3.274 ( 6.633 -0.193 2.292) 7.021 3.780 ( 0.379 1.831 -0.275) 1.889 4.071 ( 3.050 1.127 -8.141) 8.767 4.375 ( -9.273 2.845 -1.034) 9.755 4.564 ( -2.026 1.505 3.157) 4.041 4.710 ( 13.672 12.136 2.483) 18.449 5.036 ( 4.922 6.400 -3.980) 9.001 5.115 ( 3.130 15.886 2.895) 16.448 5.233 ( 2.781 6.509 7.056) 9.994 5.428 ( -9.457 2.896 -5.527) 11.330 5.567 ( -3.545 13.247 -7.952) 15.852 5.977 ( -10.580 3.558 -6.193) 12.765 6.024 ( -0.451 0.272 6.894) 6.915 6.161 ( 9.621 -9.947 -2.723) 14.104 6.427 ( 0.927 -12.717 3.390) 13.193 6.651 ( 6.513 -7.248 0.368) 9.751 6.689 ( -2.772 -11.442 1.145) 11.828 6.889 ( -4.855 -5.591 2.207) 7.726 7.075 ( -3.456 -2.431 2.731) 5.031 7.297 ( 9.125 -10.569 0.652) 13.978 7.369 ( -0.401 -5.953 -2.859) 6.616 7.654 ( -0.315 -5.362 -1.671) 5.626 7.723 ( -1.006 -5.448 5.261) 7.640 7.983 ( -9.034 -11.325 -7.643) 16.379 8.316 ( 0.523 -2.094 2.638) 3.409 8.513 ( -7.679 -3.250 2.522) 8.712 8.631 ( 1.682 -8.547 7.843) 11.722 8.672 ( -5.697 1.731 8.367) 10.270 9.064 ( 3.489 -6.687 -5.398) 9.275 9.163 ( 1.619 1.840 -4.302) 4.951 9.307 ( 4.077 -1.880 -0.444) 4.511 9.411 ( -1.560 -0.601 -1.505) 2.249 9.576 ( 0.963 2.715 -1.048) 3.065 9.606 ( -3.225 0.086 1.585) 3.595 9.891 ( -4.569 -1.601 2.233) 5.332 10.299 ( 2.114 0.860 -1.981) 3.022 10.340 ( 4.557 11.496 -2.107) 12.545 10.636 ( -2.905 9.334 0.332) 9.782 11.009 ( 9.496 -2.623 0.086) 9.852 11.252 ( 2.626 -3.284 6.938) 8.113 11.436 ( 6.345 1.773 5.012) 8.278 11.657 ( -13.066 -2.681 -1.558) 13.429 12.124 ( -0.126 2.609 0.830) 2.740 12.529 ( 0.505 0.389 -11.657) 11.675 12.885 ( 2.030 -5.619 7.508) 9.595 13.468 ( -5.548 -3.625 14.106) 15.585 14.568 ( -4.102 2.414 -13.663) 14.469 14.871 ( 2.351 0.736 4.471) 5.105 15.039 ( -5.606 8.205 -7.473) 12.433 15.166 ( -1.714 3.107 7.540) 8.334 15.360 ( -0.875 3.980 11.612) 12.306 16.275 ( 3.402 -6.735 -13.807) 15.734 16.624 ( -1.676 -3.080 1.743) 3.916 16.696 ( 0.592 -1.579 -3.130) 3.555 17.525 ( 15.452 -10.354 -1.991) 18.706 17.712 ( -3.627 3.139 -6.587) 8.148 18.300 ( -3.374 -0.233 7.803) 8.505 18.462 ( -3.882 -4.646 -1.854) 6.332 18.857 ( -2.256 4.235 -1.704) 5.091 19.529 ( -5.441 6.210 -12.075) 14.628 20.014 ( 7.347 -0.715 18.697) 20.101 20.339 ( 2.499 5.726 1.958) 6.547 21.187 ( 4.332 -3.962 -1.973) 6.193 22.290 ( 0.368 0.098 -8.720) 8.728 22.710 ( -1.963 0.367 4.600) 5.015 22.936 ( -1.771 -1.096 1.906) 2.824 23.116 ( 2.041 -1.078 -3.812) 4.456 23.362 ( 0.286 1.185 -2.840) 3.090 ======================= Grid point 89 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -3.691 19.429 0.302) 19.779 1.583 ( -6.410 15.411 12.889) 21.088 1.865 ( 3.860 -11.296 -2.480) 12.192 2.037 ( -2.068 -4.087 2.876) 5.409 2.330 ( 5.612 -2.175 1.186) 6.135 2.450 ( -3.175 3.846 -1.547) 5.221 2.622 ( -7.462 2.260 0.673) 7.826 2.822 ( 1.913 5.681 2.682) 6.567 2.894 ( -1.705 19.195 -2.640) 19.451 3.163 ( 2.831 -5.268 -3.351) 6.855 3.391 ( 3.242 -0.979 3.882) 5.152 3.770 ( 3.639 3.596 4.832) 7.037 4.050 ( 1.749 -0.303 -6.946) 7.169 4.194 ( -4.070 0.697 -7.195) 8.296 4.590 ( 4.604 2.573 2.790) 5.967 4.668 ( -2.663 11.362 4.063) 12.357 4.861 ( -6.752 12.275 -1.831) 14.129 5.002 ( 4.853 7.146 1.024) 8.699 5.180 ( -0.411 5.639 4.538) 7.250 5.287 ( 1.048 4.244 -3.957) 5.897 5.393 ( 8.358 10.435 -1.231) 13.426 5.815 ( -3.962 0.052 -10.202) 10.944 6.121 ( 5.356 -2.172 10.502) 11.987 6.390 ( 7.696 -7.198 -1.617) 10.661 6.613 ( -6.189 -10.052 4.686) 12.701 6.751 ( 3.878 0.393 0.409) 3.919 6.796 ( -6.707 -12.824 2.012) 14.611 6.954 ( -2.770 -4.554 3.161) 6.198 7.142 ( 6.070 -6.324 -4.283) 9.756 7.282 ( -9.312 -0.328 -0.402) 9.326 7.573 ( -5.569 -13.933 -4.617) 15.699 7.681 ( 1.867 -7.218 -5.710) 9.391 7.885 ( 8.928 -1.409 -0.384) 9.046 8.015 ( -2.169 -9.749 -1.180) 10.057 8.425 ( 2.471 -4.822 4.430) 6.999 8.501 ( -6.976 -4.745 5.102) 9.859 8.615 ( -4.562 0.162 6.042) 7.572 8.839 ( 1.977 -5.732 10.471) 12.100 9.086 ( -2.573 -0.638 -6.458) 6.980 9.181 ( 4.234 -2.820 -9.237) 10.545 9.331 ( 0.248 2.838 0.517) 2.896 9.388 ( 0.186 -1.899 -0.487) 1.969 9.516 ( -8.901 -1.070 -0.905) 9.011 9.657 ( 7.757 -1.262 5.545) 9.618 9.855 ( -3.825 3.252 2.618) 5.662 10.205 ( 0.608 8.496 1.621) 8.671 10.310 ( 7.632 3.617 -5.596) 10.131 10.445 ( -4.191 9.300 -0.726) 10.227 11.114 ( 2.869 -0.883 -0.346) 3.022 11.239 ( -17.436 9.445 -0.290) 19.832 11.393 ( 3.841 -4.413 5.246) 7.858 11.783 ( 8.790 -6.759 7.138) 13.187 12.100 ( -2.393 -2.255 -1.202) 3.501 12.465 ( 3.250 1.774 -13.170) 13.680 13.084 ( 9.059 -4.217 10.532) 14.518 13.551 ( -5.648 -5.830 20.619) 22.160 14.351 ( -8.202 3.228 -20.348) 22.175 14.721 ( -4.441 12.103 0.780) 12.916 15.006 ( 2.200 -3.144 2.891) 4.804 15.170 ( -0.060 0.258 4.216) 4.225 15.369 ( 0.004 2.261 8.467) 8.764 16.339 ( 3.898 -4.434 -14.208) 15.386 16.646 ( 1.121 -1.067 -1.760) 2.344 16.716 ( -1.374 -3.196 -1.690) 3.868 17.614 ( 3.127 10.355 1.530) 10.925 17.754 ( 4.716 -6.160 0.919) 7.812 18.326 ( -3.637 -3.709 7.386) 9.030 18.599 ( 1.229 -16.196 -3.198) 16.555 18.735 ( -4.274 4.181 -4.952) 7.763 19.251 ( -8.172 8.130 -13.280) 17.585 20.142 ( -1.656 -0.350 10.329) 10.467 20.288 ( 1.235 6.300 2.163) 6.774 21.286 ( 5.941 0.448 2.476) 6.451 22.253 ( 3.968 -0.930 -13.598) 14.195 22.719 ( -1.897 -0.429 5.511) 5.844 22.937 ( -0.227 0.792 2.512) 2.643 23.141 ( 2.505 -0.642 -2.220) 3.409 23.318 ( -0.043 2.218 -4.621) 5.126 ======================= Grid point 90 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -3.403 18.929 8.378) 20.978 1.315 ( -6.422 22.240 14.117) 27.113 1.871 ( -1.695 2.002 -11.075) 11.381 2.066 ( -5.866 -3.745 4.901) 8.512 2.352 ( -1.205 12.427 -8.097) 14.881 2.465 ( -8.238 -7.127 2.068) 11.088 2.477 ( 5.472 2.372 4.620) 7.544 2.684 ( 1.572 5.648 -1.472) 6.045 2.793 ( 6.910 6.721 6.613) 11.690 3.254 ( 3.229 -3.473 -3.216) 5.729 3.441 ( -0.490 -0.426 7.346) 7.375 3.830 ( 8.605 3.612 2.205) 9.589 4.002 ( -3.582 1.960 -5.583) 6.917 4.195 ( 4.742 -2.537 -5.308) 7.556 4.441 ( -8.428 6.521 3.970) 11.372 4.610 ( -0.978 2.354 0.326) 2.569 4.688 ( 3.945 1.094 -0.151) 4.097 4.981 ( 1.668 4.523 -1.825) 5.155 5.136 ( -4.122 2.286 2.953) 5.562 5.269 ( 12.895 6.445 -2.402) 14.614 5.410 ( 12.651 7.528 2.174) 14.881 5.745 ( 0.152 -1.417 -10.804) 10.898 6.282 ( 4.440 -1.513 9.538) 10.629 6.461 ( -4.298 2.046 -0.381) 4.775 6.647 ( -0.625 -3.455 3.292) 4.812 6.769 ( -4.369 -0.287 1.089) 4.512 6.901 ( -4.603 -7.820 2.755) 9.483 7.039 ( 3.857 -6.450 1.411) 7.646 7.130 ( -9.715 -2.799 0.963) 10.156 7.342 ( 7.224 -5.958 -7.725) 12.139 7.538 ( -19.001 -13.465 -3.166) 23.503 7.766 ( 4.593 -0.263 -7.621) 8.902 8.056 ( -0.261 -11.039 -4.961) 12.105 8.103 ( 8.805 2.996 5.257) 10.684 8.458 ( -5.681 0.637 3.661) 6.789 8.541 ( 1.352 -4.237 3.558) 5.696 8.632 ( -6.672 -6.301 -3.345) 9.768 8.930 ( 2.671 1.233 9.670) 10.108 9.011 ( -1.699 3.729 -1.334) 4.310 9.180 ( -9.779 0.568 2.273) 10.056 9.280 ( -6.348 1.864 -1.691) 6.829 9.337 ( 1.634 0.805 2.509) 3.101 9.555 ( 4.025 -4.750 -1.828) 6.488 9.735 ( -4.268 3.240 -0.214) 5.362 9.825 ( 8.599 -1.482 6.675) 10.986 10.107 ( -5.545 4.978 -2.685) 7.921 10.185 ( -1.822 10.887 0.720) 11.062 10.488 ( 14.526 -4.588 -2.479) 15.434 10.860 ( -13.220 11.482 0.593) 17.520 11.122 ( -3.187 -0.935 -2.357) 4.073 11.546 ( 1.596 -6.351 7.314) 9.817 11.908 ( -1.793 -0.714 2.224) 2.945 12.098 ( -4.301 -1.201 -4.293) 6.194 12.458 ( 13.271 3.790 -10.683) 17.453 13.293 ( 7.503 -2.126 4.755) 9.134 13.786 ( 0.553 -13.592 32.431) 35.168 14.075 ( -10.491 0.006 -23.697) 25.916 14.588 ( -0.135 5.977 7.932) 9.933 15.089 ( 1.888 -2.651 2.385) 4.035 15.190 ( 0.862 0.688 2.578) 2.804 15.391 ( -0.478 -1.084 4.499) 4.652 16.343 ( 5.294 0.921 -11.903) 13.060 16.666 ( 1.804 -0.823 -3.209) 3.772 16.715 ( -2.460 -1.181 -2.255) 3.540 17.450 ( -6.093 15.656 9.381) 19.242 17.898 ( 0.925 -6.210 0.027) 6.279 18.340 ( -3.896 -1.224 4.213) 5.867 18.505 ( -8.358 3.840 -9.991) 13.580 18.799 ( 0.165 -0.133 -3.250) 3.257 19.168 ( 10.199 -11.467 -8.572) 17.578 20.038 ( -13.466 7.238 5.593) 16.279 20.282 ( 1.643 -1.976 2.181) 3.371 21.310 ( 1.638 5.058 1.048) 5.419 22.281 ( 9.585 -1.049 -16.400) 19.025 22.725 ( -1.862 -0.014 5.372) 5.685 22.941 ( 2.231 2.031 2.183) 3.724 23.170 ( 2.414 0.113 -0.765) 2.535 23.257 ( 0.779 2.540 -5.392) 6.011 ======================= Grid point 94 (43/114) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -16.888 0.000 9.842) 19.547 1.779 ( 0.260 -0.000 -4.880) 4.887 1.857 ( 12.044 -0.000 3.240) 12.472 2.248 ( -0.753 0.000 10.361) 10.389 2.527 ( 10.382 -0.000 -14.371) 17.729 2.608 ( 3.157 -0.000 0.597) 3.213 2.645 ( 7.088 -0.000 -11.331) 13.365 2.896 ( -15.896 0.000 10.647) 19.132 2.907 ( 9.734 -0.000 4.372) 10.670 3.285 ( 2.214 -0.000 2.016) 2.994 3.437 ( -0.951 0.000 -2.424) 2.604 3.937 ( -2.454 0.000 -4.377) 5.018 4.113 ( 6.947 -0.000 6.966) 9.838 4.191 ( 6.749 -0.000 1.673) 6.953 4.743 ( 13.383 -0.000 -9.759) 16.563 4.782 ( -5.922 0.000 0.157) 5.924 5.240 ( 7.925 -0.000 6.919) 10.521 5.262 ( -5.383 0.000 -6.801) 8.674 5.521 ( 7.176 -0.000 -5.396) 8.979 5.694 ( 17.811 -0.000 3.955) 18.245 5.784 ( 4.490 -0.000 -7.799) 8.999 5.929 ( 7.553 -0.000 0.128) 7.554 5.960 ( 2.221 -0.000 0.654) 2.316 6.072 ( -6.075 0.000 5.767) 8.376 6.153 ( -15.476 0.000 2.554) 15.685 6.447 ( -9.266 0.000 -6.000) 11.039 6.512 ( -3.238 0.000 6.293) 7.077 6.827 ( -14.779 0.000 -10.667) 18.227 6.895 ( 11.232 -0.000 0.129) 11.233 7.117 ( -0.777 0.000 -0.302) 0.834 7.233 ( -9.148 0.000 2.491) 9.481 7.258 ( -0.128 0.000 8.678) 8.679 7.656 ( -0.999 0.000 2.545) 2.734 8.084 ( 2.079 -0.000 -6.029) 6.377 8.105 ( -18.150 0.000 -5.217) 18.885 8.482 ( -4.419 0.000 5.035) 6.699 8.484 ( -3.367 0.000 4.316) 5.474 8.830 ( -9.848 0.000 0.222) 9.850 8.988 ( -9.487 0.000 4.141) 10.352 9.092 ( -3.465 0.000 4.571) 5.736 9.243 ( 5.187 -0.000 -0.631) 5.225 9.425 ( 10.922 -0.000 -7.498) 13.248 9.500 ( -0.858 0.000 5.749) 5.813 9.646 ( 1.604 -0.000 1.873) 2.466 9.938 ( -7.257 0.000 -4.260) 8.415 10.128 ( 7.823 -0.000 -1.488) 7.964 10.658 ( 5.636 -0.000 1.000) 5.724 10.662 ( 12.071 -0.000 -4.616) 12.924 10.859 ( 3.298 -0.000 6.006) 6.852 11.113 ( 0.280 -0.000 0.645) 0.703 11.440 ( -6.589 0.000 3.103) 7.283 11.717 ( -8.311 0.000 4.416) 9.412 12.274 ( 6.714 -0.000 6.406) 9.280 12.562 ( 2.080 -0.000 -4.880) 5.305 12.763 ( -8.173 0.000 -9.899) 12.837 13.386 ( -3.904 0.000 8.860) 9.682 14.473 ( 3.682 -0.000 -10.254) 10.895 14.979 ( 1.740 -0.000 -1.819) 2.517 15.264 ( -6.269 0.000 8.749) 10.763 15.339 ( 3.156 -0.000 14.322) 14.666 15.434 ( -5.198 0.000 4.217) 6.693 16.213 ( -2.760 0.000 -11.891) 12.207 16.673 ( 4.259 -0.000 -2.004) 4.707 16.695 ( 1.128 -0.000 -3.137) 3.334 16.873 ( 5.073 -0.000 -4.553) 6.817 17.821 ( -17.779 0.000 -5.285) 18.548 18.169 ( -3.481 0.000 1.138) 3.662 18.854 ( 4.241 -0.000 0.274) 4.250 18.965 ( 3.048 -0.000 1.266) 3.300 19.604 ( 2.670 -0.000 -15.493) 15.721 19.846 ( 16.833 -0.000 23.637) 29.018 20.466 ( -4.012 0.000 4.965) 6.384 20.972 ( 0.783 -0.000 -3.539) 3.625 22.285 ( 4.555 -0.000 -6.416) 7.869 22.776 ( -4.489 0.000 3.426) 5.647 22.893 ( -1.869 0.000 0.245) 1.885 23.086 ( 1.704 -0.000 -5.957) 6.195 23.369 ( 1.490 -0.000 0.274) 1.515 ======================= Grid point 95 (44/114) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -9.609 -12.099 20.244) 25.466 1.748 ( 0.289 -0.632 -6.890) 6.925 1.964 ( 3.865 1.196 4.027) 5.708 2.233 ( -3.554 3.972 11.417) 12.600 2.491 ( 2.991 12.617 1.169) 13.019 2.629 ( 8.640 -2.475 -11.718) 14.768 2.713 ( -4.128 0.516 -1.834) 4.547 2.856 ( 0.617 -7.520 -1.780) 7.752 3.042 ( 6.630 -0.627 2.062) 6.972 3.258 ( 2.359 6.894 1.964) 7.547 3.411 ( -0.657 1.297 -3.009) 3.342 3.850 ( -0.585 3.044 -4.953) 5.843 4.153 ( 2.763 4.363 -1.896) 5.501 4.342 ( 2.336 -4.619 4.715) 7.002 4.628 ( -12.011 2.005 0.403) 12.184 4.894 ( 17.099 1.595 -2.490) 17.352 5.148 ( -3.609 0.555 -4.084) 5.478 5.382 ( 1.705 3.588 6.288) 7.437 5.472 ( 4.039 5.128 -8.111) 10.411 5.710 ( 4.083 12.988 -0.587) 13.627 5.829 ( 3.123 6.974 -4.931) 9.095 5.911 ( 6.715 -3.021 -2.475) 7.768 6.010 ( -10.583 0.232 2.138) 10.799 6.115 ( 1.833 -8.188 1.470) 8.518 6.150 ( 3.222 -0.693 7.404) 8.105 6.330 ( -11.229 -8.923 -3.798) 14.837 6.506 ( -5.606 -3.661 0.213) 6.699 6.707 ( 1.988 -1.814 2.232) 3.496 7.022 ( 4.331 -0.096 0.158) 4.335 7.143 ( 3.164 -1.971 0.585) 3.774 7.192 ( 1.216 -4.459 -1.623) 4.898 7.413 ( 1.073 -10.913 8.438) 13.836 7.663 ( -1.630 1.968 1.710) 3.075 7.832 ( -11.971 0.919 -0.310) 12.011 8.151 ( -0.143 -8.432 -5.128) 9.870 8.460 ( -5.082 -0.087 -1.083) 5.197 8.480 ( -1.312 -2.227 3.307) 4.197 8.687 ( -9.459 0.003 9.384) 13.324 8.946 ( -1.185 -0.438 2.192) 2.530 9.088 ( -6.881 -6.455 -0.404) 9.443 9.291 ( 4.342 0.822 -2.213) 4.942 9.424 ( 3.040 3.812 -2.843) 5.644 9.564 ( -1.380 -3.795 -2.225) 4.610 9.658 ( 0.799 1.844 -4.506) 4.934 9.862 ( -1.023 -0.299 4.164) 4.299 10.235 ( 4.961 -3.199 -1.772) 6.163 10.642 ( 5.398 7.826 -0.696) 9.532 10.796 ( 3.205 0.948 -2.836) 4.383 10.927 ( 3.669 -2.107 4.501) 6.178 11.165 ( 2.963 -2.423 4.962) 6.267 11.410 ( -0.363 -1.167 4.791) 4.945 11.620 ( -11.867 -0.489 3.240) 12.311 12.262 ( -2.027 4.260 -6.595) 8.108 12.548 ( 1.205 0.880 -7.064) 7.220 12.771 ( 5.313 -2.124 11.718) 13.040 13.398 ( -3.954 -1.194 10.680) 11.451 14.495 ( 2.842 -4.054 -10.245) 11.378 14.982 ( 1.779 0.535 -4.145) 4.542 15.136 ( -8.861 6.306 -1.687) 11.006 15.316 ( -2.685 5.213 12.687) 13.977 15.484 ( -2.360 -0.458 6.703) 7.122 16.141 ( 0.004 -2.482 -14.542) 14.752 16.614 ( 1.771 6.520 0.683) 6.791 16.697 ( 1.369 0.414 -2.853) 3.191 17.097 ( 10.113 -17.933 -4.041) 20.981 17.619 ( -12.157 -2.818 -7.917) 14.779 18.169 ( -1.848 -2.044 4.895) 5.618 18.805 ( 2.663 12.613 -0.087) 12.892 18.955 ( -0.632 1.873 -4.245) 4.683 19.569 ( 0.004 -2.169 -14.714) 14.873 20.110 ( 8.197 4.471 25.126) 26.805 20.446 ( -1.052 2.034 6.910) 7.280 21.011 ( 1.730 -5.928 -2.591) 6.697 22.295 ( 2.526 0.249 -7.546) 7.962 22.734 ( -3.296 0.818 3.020) 4.544 22.891 ( -1.081 -1.360 2.028) 2.670 23.088 ( 2.633 -0.591 -4.799) 5.506 23.375 ( -0.022 -0.011 -1.758) 1.758 ======================= Grid point 96 (45/114) ======================= q-point: (-0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -4.424 -17.727 15.912) 24.229 1.767 ( 5.891 -1.469 -2.637) 6.620 1.982 ( 2.664 5.640 5.710) 8.456 2.197 ( -1.453 6.533 8.580) 10.882 2.323 ( -3.803 10.379 6.377) 12.762 2.555 ( -5.801 3.969 -3.445) 7.828 2.737 ( 1.796 -3.884 -7.789) 8.887 2.937 ( 1.698 -4.477 -6.911) 8.407 3.009 ( 0.734 9.915 -2.015) 10.145 3.279 ( 3.191 2.806 1.642) 4.556 3.356 ( 1.920 1.444 0.418) 2.438 3.825 ( 2.243 0.446 -0.537) 2.349 4.078 ( -1.472 2.576 -6.828) 7.445 4.241 ( -13.015 2.006 -3.947) 13.747 4.617 ( 4.728 0.285 5.089) 6.952 5.004 ( 1.290 7.240 4.079) 8.409 5.113 ( 4.989 0.181 -1.932) 5.353 5.246 ( -2.905 10.243 -2.413) 10.917 5.437 ( 1.753 9.837 1.513) 10.106 5.494 ( -1.689 13.596 -3.212) 14.072 5.715 ( 4.860 8.131 -6.164) 11.302 5.857 ( -6.663 1.912 -4.576) 8.306 6.070 ( 6.107 -5.285 3.421) 8.771 6.172 ( -0.357 -5.967 -0.065) 5.978 6.293 ( 4.375 -4.759 8.383) 10.586 6.424 ( -1.631 -11.470 3.424) 12.081 6.571 ( -2.957 -11.922 -2.669) 12.570 6.833 ( 2.764 -3.898 6.222) 7.845 7.051 ( 4.351 1.196 -1.566) 4.776 7.188 ( -3.548 -5.180 -0.020) 6.279 7.334 ( 4.608 -5.699 -3.242) 8.014 7.434 ( -16.146 -5.293 0.002) 16.992 7.711 ( 4.807 -10.156 -3.021) 11.635 7.878 ( 10.850 1.081 9.365) 14.373 8.250 ( -0.324 -7.777 -0.135) 7.785 8.381 ( -4.708 -2.922 -4.515) 7.147 8.549 ( -4.141 -6.027 7.506) 10.479 8.695 ( -0.038 -0.219 9.839) 9.842 8.995 ( 2.857 -4.970 -1.205) 5.858 9.097 ( -4.128 -5.325 -3.773) 7.722 9.311 ( 1.006 -0.267 -5.390) 5.489 9.359 ( -3.355 0.637 -0.717) 3.490 9.515 ( -7.586 -0.687 -4.786) 8.996 9.653 ( 5.547 1.020 -0.025) 5.640 9.925 ( 4.751 1.092 5.056) 7.024 10.296 ( 0.843 -1.629 -2.939) 3.464 10.562 ( 4.049 10.854 -1.407) 11.670 10.699 ( -5.253 6.622 -0.337) 8.460 11.032 ( 0.754 -3.848 1.752) 4.295 11.280 ( 2.883 -2.394 8.681) 9.455 11.450 ( -13.881 2.973 0.818) 14.220 11.562 ( 9.060 -7.526 6.027) 13.231 12.115 ( -5.269 3.149 -6.534) 8.965 12.507 ( 2.749 1.828 -8.194) 8.834 12.994 ( 11.308 -1.524 17.284) 20.710 13.438 ( -4.012 -2.327 13.539) 14.311 14.471 ( -2.600 1.863 -15.046) 15.382 14.948 ( -1.201 2.299 0.558) 2.653 14.969 ( -2.669 0.374 -10.304) 10.651 15.252 ( -4.395 6.521 10.813) 13.370 15.444 ( -3.162 3.108 6.445) 7.823 16.154 ( 5.374 -5.844 -15.145) 17.100 16.599 ( 0.799 0.239 3.860) 3.949 16.690 ( 1.446 0.603 -3.327) 3.677 17.473 ( -8.634 -16.467 -5.996) 19.536 17.538 ( 13.030 -9.111 -6.863) 17.318 18.221 ( -1.001 -2.864 6.574) 7.241 18.625 ( 1.905 14.367 2.076) 14.640 18.862 ( -3.585 4.048 -5.271) 7.552 19.432 ( -7.298 3.794 -13.953) 16.197 20.220 ( 0.961 4.819 18.512) 19.153 20.441 ( 0.658 4.141 6.067) 7.375 21.157 ( 4.385 -8.572 2.304) 9.900 22.252 ( 0.492 1.264 -9.833) 9.926 22.716 ( -1.441 0.058 3.551) 3.832 22.922 ( 0.345 -1.344 2.988) 3.294 23.115 ( 3.231 -0.915 -3.230) 4.659 23.351 ( -0.925 0.273 -3.793) 3.914 ======================= Grid point 97 (46/114) ======================= q-point: (-0.25 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -8.422 -7.780 4.705) 12.393 1.850 ( -1.623 5.428 -4.371) 7.155 1.910 ( 5.190 14.044 11.271) 18.741 2.064 ( -0.389 4.038 4.505) 6.062 2.264 ( -9.512 -1.837 8.814) 13.097 2.427 ( -1.629 1.416 -4.322) 4.831 2.739 ( 4.680 4.172 -1.103) 6.366 2.806 ( -7.622 6.446 -4.959) 11.146 3.014 ( 4.080 -2.874 -6.768) 8.409 3.192 ( 3.218 6.875 -3.358) 8.300 3.417 ( -3.269 -0.788 10.419) 10.948 3.841 ( -2.421 -1.466 3.199) 4.271 4.005 ( -0.709 -0.637 -8.875) 8.926 4.138 ( 3.425 -1.563 -7.241) 8.162 4.632 ( -0.988 5.692 1.056) 5.872 4.857 ( -5.576 12.148 2.075) 13.527 4.956 ( -5.053 12.382 1.762) 13.489 5.114 ( -3.245 4.371 1.414) 5.624 5.253 ( -0.003 7.384 2.728) 7.872 5.482 ( 14.917 7.357 -1.947) 16.746 5.651 ( 6.422 6.306 -7.571) 11.762 5.782 ( 4.146 3.182 -5.624) 7.678 6.234 ( 3.967 -3.045 8.084) 9.506 6.281 ( -6.117 -11.787 -0.106) 13.280 6.448 ( -0.520 -7.324 7.802) 10.714 6.607 ( 7.509 -6.166 1.226) 9.793 6.702 ( -3.597 -12.824 -0.486) 13.328 6.868 ( -2.013 0.973 5.715) 6.137 7.155 ( 6.910 -2.870 -2.024) 7.752 7.156 ( -14.659 -8.931 -4.066) 17.641 7.238 ( -4.469 0.855 -0.459) 4.573 7.627 ( 6.839 -14.363 1.039) 15.942 7.776 ( 0.991 -2.607 -13.179) 13.470 8.116 ( 11.947 -1.488 11.826) 16.876 8.330 ( -2.982 -5.736 0.577) 6.490 8.418 ( 1.097 -5.060 2.099) 5.587 8.556 ( -7.013 -1.887 2.562) 7.701 8.804 ( 1.290 -5.874 5.651) 8.252 9.068 ( -2.080 0.516 -2.470) 3.270 9.116 ( 3.157 -5.651 -4.379) 7.815 9.260 ( -5.615 -2.806 1.858) 6.546 9.368 ( -5.949 1.840 -2.252) 6.622 9.421 ( 3.099 -5.186 -2.733) 6.631 9.744 ( 5.799 -1.743 2.106) 6.411 9.950 ( 2.832 6.449 3.287) 7.772 10.277 ( -2.398 2.303 -1.325) 3.579 10.453 ( 6.142 7.764 -4.194) 10.752 10.511 ( -6.724 8.418 -0.229) 10.776 11.043 ( -8.738 -1.462 1.501) 8.985 11.204 ( -9.573 7.716 3.377) 12.751 11.407 ( 2.008 -3.381 6.963) 7.997 11.832 ( 7.716 -6.233 4.086) 10.728 12.002 ( -4.386 -2.081 -4.088) 6.347 12.500 ( 7.541 0.780 -8.515) 11.401 13.249 ( 11.388 -0.311 13.276) 17.494 13.533 ( -2.004 -5.010 20.944) 21.627 14.206 ( -9.161 7.711 -21.570) 24.671 14.843 ( -1.462 7.884 -1.349) 8.131 14.985 ( 2.176 -3.886 -0.401) 4.472 15.203 ( -1.218 0.975 6.367) 6.556 15.409 ( -3.141 1.357 5.034) 6.087 16.237 ( 6.615 -6.108 -17.147) 19.367 16.648 ( 2.585 -0.839 1.787) 3.253 16.683 ( 0.635 0.039 -1.249) 1.402 17.460 ( -10.149 -11.224 -3.838) 15.611 17.862 ( 10.323 -5.859 -3.425) 12.354 18.282 ( -0.577 -1.699 5.840) 6.110 18.544 ( 1.301 4.216 4.338) 6.187 18.701 ( -2.596 2.401 -7.331) 8.139 19.192 ( -5.932 5.571 -10.888) 13.593 20.188 ( -6.765 5.613 10.510) 13.701 20.397 ( -0.403 6.224 4.446) 7.660 21.339 ( 3.318 -4.393 5.439) 7.739 22.204 ( 2.932 -1.540 -11.974) 12.424 22.724 ( -0.931 -0.204 3.618) 3.742 22.963 ( 1.263 -0.341 3.335) 3.582 23.157 ( 3.335 -0.807 -1.628) 3.798 23.308 ( -0.556 0.720 -5.315) 5.392 ======================= Grid point 98 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -1.822 6.518 5.484) 8.710 1.563 ( -6.939 13.164 0.387) 14.886 1.891 ( 3.513 7.702 4.274) 9.483 1.999 ( -9.762 2.525 8.469) 13.168 2.222 ( -13.051 -3.347 1.572) 13.564 2.419 ( 8.587 -1.004 -6.062) 10.559 2.594 ( -6.202 2.898 -6.229) 9.255 2.774 ( 8.305 6.216 2.668) 10.711 3.042 ( 8.155 4.444 1.288) 9.376 3.204 ( 1.867 -4.616 -5.373) 7.325 3.413 ( -7.209 -1.463 10.488) 12.810 3.792 ( -13.050 -1.319 2.084) 13.281 4.001 ( 7.422 -1.327 -11.796) 14.000 4.230 ( 8.922 -1.783 -4.013) 9.944 4.482 ( -6.300 6.576 3.388) 9.716 4.610 ( -2.786 6.247 -2.563) 7.305 4.849 ( -0.806 4.450 -1.146) 4.665 5.077 ( 8.470 8.916 7.283) 14.293 5.182 ( -0.788 4.453 3.284) 5.589 5.553 ( 13.380 7.283 -4.224) 15.808 5.629 ( 8.917 3.953 -5.405) 11.152 5.779 ( 7.280 4.142 -4.085) 9.319 6.289 ( -12.639 -7.460 0.202) 14.678 6.322 ( -4.433 -3.961 2.434) 6.424 6.554 ( -1.849 -2.559 5.441) 6.291 6.724 ( -5.012 -5.004 1.111) 7.169 6.810 ( 2.214 -1.854 3.737) 4.723 6.946 ( 3.139 -6.634 2.547) 7.769 7.072 ( -14.165 -12.066 -1.738) 18.689 7.170 ( 1.614 3.796 2.314) 4.730 7.323 ( 6.553 -4.824 -3.278) 8.773 7.731 ( -1.328 -2.983 -10.228) 10.736 7.911 ( 5.452 -8.844 1.768) 10.539 8.265 ( 3.234 -0.531 2.048) 3.865 8.372 ( 0.650 -2.852 -1.823) 3.447 8.463 ( -7.568 -2.063 5.010) 9.307 8.526 ( 1.729 -0.836 -2.722) 3.331 8.907 ( -2.221 -6.072 2.765) 7.032 9.057 ( -0.661 -0.453 6.228) 6.280 9.104 ( -7.179 2.430 2.470) 7.972 9.205 ( -5.576 -1.095 -0.767) 5.734 9.377 ( 4.027 -2.646 -1.953) 5.199 9.571 ( 8.605 -5.044 0.460) 9.985 9.776 ( 0.534 5.884 -3.957) 7.111 9.936 ( 4.002 0.065 6.843) 7.928 10.119 ( -6.547 9.578 -1.552) 11.705 10.298 ( -4.519 8.720 1.112) 9.884 10.516 ( 5.639 -5.168 -4.268) 8.759 10.871 ( -6.415 6.092 2.399) 9.166 11.077 ( -4.505 2.850 -0.153) 5.334 11.501 ( -3.042 -4.384 7.725) 9.389 11.871 ( -3.078 -0.744 -0.332) 3.184 12.046 ( 2.331 -1.146 -3.217) 4.135 12.593 ( 11.603 -0.630 -7.253) 13.698 13.385 ( 3.235 1.113 7.205) 7.976 13.782 ( -0.786 -7.240 9.173) 11.713 13.885 ( -4.193 1.612 -2.648) 5.215 14.740 ( 1.079 7.290 6.412) 9.768 15.065 ( 1.875 -3.872 -1.297) 4.494 15.236 ( 1.681 -0.452 2.722) 3.231 15.367 ( -4.474 0.673 2.274) 5.064 16.308 ( 7.642 -5.137 -17.034) 19.363 16.667 ( 1.378 0.061 -3.426) 3.693 16.706 ( 1.864 1.337 2.683) 3.530 17.427 ( -14.430 -2.279 -0.543) 14.619 17.957 ( 6.715 2.046 6.288) 9.424 18.246 ( -10.866 -0.507 -6.571) 12.708 18.447 ( 2.311 0.655 0.871) 2.555 18.835 ( 6.633 -0.988 2.706) 7.232 19.100 ( 6.423 -6.529 -8.610) 12.570 20.001 ( -14.339 8.602 6.396) 17.903 20.329 ( -0.232 4.171 2.921) 5.098 21.373 ( -1.292 3.315 0.333) 3.573 22.257 ( 6.165 -4.856 -10.178) 12.852 22.733 ( -0.865 -0.233 3.340) 3.458 22.993 ( 1.125 0.707 2.792) 3.092 23.195 ( 1.975 -0.032 -0.758) 2.116 23.268 ( 1.662 1.036 -5.740) 6.065 ======================= Grid point 103 (48/114) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -2.966 0.000 26.729) 26.893 1.750 ( 6.519 -0.000 -3.688) 7.490 2.047 ( 3.009 -0.000 6.770) 7.409 2.258 ( -7.000 0.000 15.461) 16.971 2.595 ( 3.332 -0.000 -19.781) 20.059 2.638 ( -5.353 0.000 -0.542) 5.380 2.679 ( 1.753 -0.000 -4.307) 4.650 2.766 ( -0.861 0.000 5.341) 5.410 3.140 ( 6.212 -0.000 2.417) 6.665 3.330 ( -0.077 0.000 2.026) 2.028 3.412 ( 1.774 -0.000 -3.947) 4.327 3.827 ( 0.462 -0.000 -8.451) 8.464 4.148 ( -8.347 0.000 -4.287) 9.384 4.248 ( -11.796 0.000 -2.609) 12.081 4.629 ( 8.563 -0.000 6.055) 10.487 5.067 ( -1.068 0.000 -0.228) 1.092 5.118 ( 15.241 -0.000 -2.089) 15.384 5.398 ( -8.597 0.000 -0.682) 8.624 5.585 ( 8.326 -0.000 -0.917) 8.376 5.777 ( -0.186 0.000 -9.070) 9.072 5.795 ( -7.855 0.000 -7.820) 11.084 5.930 ( -8.015 0.000 7.372) 10.889 5.983 ( 5.576 -0.000 4.312) 7.049 6.045 ( -15.894 0.000 -2.634) 16.111 6.116 ( 3.692 -0.000 1.405) 3.950 6.260 ( 1.396 -0.000 -4.169) 4.397 6.455 ( 9.453 -0.000 8.907) 12.988 6.816 ( 6.693 -0.000 10.159) 12.165 7.087 ( 2.143 -0.000 -1.927) 2.882 7.155 ( 4.226 -0.000 -0.940) 4.329 7.155 ( 1.655 -0.000 -0.864) 1.867 7.348 ( -3.064 0.000 -4.469) 5.419 7.595 ( -9.361 0.000 8.962) 12.959 7.916 ( 13.818 -0.000 12.676) 18.752 8.062 ( 2.064 -0.000 -7.865) 8.131 8.353 ( -7.255 0.000 -8.392) 11.094 8.447 ( -3.417 0.000 6.374) 7.232 8.705 ( 2.617 -0.000 11.781) 12.068 8.938 ( -6.634 0.000 -4.128) 7.814 8.949 ( -0.377 0.000 3.249) 3.271 9.299 ( -0.152 0.000 -6.097) 6.099 9.438 ( -2.743 0.000 -10.123) 10.488 9.462 ( -4.986 0.000 -0.103) 4.987 9.679 ( 3.518 -0.000 -2.578) 4.362 9.927 ( 5.110 -0.000 7.575) 9.138 10.253 ( 1.952 -0.000 -1.517) 2.472 10.705 ( -1.970 0.000 -1.127) 2.269 10.860 ( 4.012 -0.000 -5.501) 6.809 10.923 ( -3.299 0.000 6.830) 7.585 11.242 ( 6.031 -0.000 7.928) 9.962 11.419 ( -0.099 0.000 6.679) 6.680 11.502 ( -9.228 0.000 2.449) 9.548 12.176 ( -5.596 0.000 -10.913) 12.264 12.546 ( 2.159 -0.000 -6.325) 6.683 12.981 ( 12.793 -0.000 21.541) 25.053 13.407 ( -2.998 0.000 11.784) 12.159 14.455 ( 3.131 -0.000 -8.747) 9.290 14.940 ( -4.632 0.000 -12.162) 13.014 15.037 ( -5.859 0.000 -6.353) 8.642 15.389 ( -3.615 0.000 7.519) 8.343 15.472 ( -5.448 0.000 12.117) 13.285 16.072 ( 4.584 -0.000 -14.337) 15.052 16.698 ( 1.612 -0.000 -3.123) 3.515 16.749 ( 1.636 -0.000 -1.285) 2.080 16.969 ( 4.780 -0.000 0.323) 4.790 17.475 ( -0.379 0.000 -11.533) 11.539 18.186 ( 1.090 -0.000 6.695) 6.783 18.875 ( -4.654 0.000 -11.599) 12.498 18.946 ( 0.956 -0.000 2.833) 2.990 19.475 ( -3.342 0.000 -10.751) 11.259 20.287 ( -0.560 0.000 14.654) 14.664 20.552 ( 2.071 -0.000 20.044) 20.151 20.960 ( 1.523 -0.000 -3.631) 3.938 22.282 ( 1.566 -0.000 -9.130) 9.263 22.716 ( -2.261 0.000 2.096) 3.083 22.896 ( 0.926 -0.000 3.542) 3.661 23.101 ( 3.596 -0.000 -3.719) 5.174 23.351 ( -1.450 0.000 -3.399) 3.695 ======================= Grid point 104 (49/114) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -1.015 -7.900 15.212) 17.171 1.852 ( 7.077 0.111 0.287) 7.083 2.102 ( -0.740 2.043 10.969) 11.182 2.260 ( -2.837 1.745 13.164) 13.579 2.463 ( -9.129 6.881 -8.106) 14.014 2.534 ( -0.024 9.395 -0.930) 9.441 2.566 ( -3.647 -6.674 -10.534) 12.993 2.862 ( -0.706 -4.314 -0.309) 4.382 3.163 ( 3.187 7.708 0.171) 8.343 3.355 ( -0.422 -2.293 7.869) 8.208 3.374 ( -0.514 3.432 -5.208) 6.258 3.791 ( -3.642 -2.125 -4.969) 6.516 3.987 ( -8.438 -0.339 -7.031) 10.989 4.107 ( -2.877 -0.742 -6.616) 7.252 4.785 ( 11.884 5.213 5.125) 13.952 5.077 ( -0.334 2.229 6.445) 6.827 5.142 ( -6.591 6.007 -0.836) 8.957 5.330 ( 2.727 -1.296 -3.321) 4.489 5.500 ( -13.279 11.738 -7.999) 19.445 5.636 ( 5.539 2.918 -0.763) 6.306 5.766 ( -4.006 -0.354 -9.218) 10.057 5.774 ( -2.667 0.717 -1.203) 3.013 5.969 ( -8.418 -6.755 0.999) 10.840 6.121 ( 7.454 -3.953 2.871) 8.913 6.180 ( -2.971 -7.966 1.760) 8.682 6.327 ( -2.933 -10.840 0.082) 11.230 6.647 ( 15.055 3.165 10.699) 18.738 6.943 ( 10.241 5.569 7.893) 14.077 7.051 ( -6.805 -0.921 -2.873) 7.444 7.167 ( 3.436 2.785 3.026) 5.359 7.260 ( 4.680 -3.875 -2.501) 6.571 7.301 ( 0.754 -1.504 0.726) 1.832 7.630 ( 0.414 -6.188 2.097) 6.547 8.095 ( 2.692 -5.169 -2.065) 6.183 8.197 ( 13.944 1.167 12.557) 18.801 8.270 ( 0.809 -3.333 -6.957) 7.756 8.462 ( -4.262 -2.912 6.089) 7.982 8.767 ( 1.475 2.464 2.199) 3.617 8.931 ( 0.035 -7.836 -3.345) 8.520 8.979 ( 0.180 -1.957 4.124) 4.569 9.245 ( -1.474 -3.235 -12.160) 12.669 9.329 ( -4.547 3.097 -0.127) 5.503 9.395 ( -5.619 -0.330 -2.885) 6.325 9.720 ( 3.774 -0.275 0.844) 3.877 10.044 ( 7.253 0.409 4.558) 8.575 10.243 ( -3.648 -1.443 -2.070) 4.436 10.646 ( -2.629 2.206 -2.887) 4.485 10.755 ( -4.242 8.307 0.577) 9.345 10.952 ( -5.534 -4.056 3.735) 7.811 11.349 ( -1.511 0.396 14.059) 14.146 11.380 ( -2.487 3.949 -0.567) 4.701 11.562 ( 6.152 -9.479 3.208) 11.747 12.037 ( -5.746 1.877 -7.959) 9.994 12.535 ( 3.612 1.132 -6.808) 7.790 13.277 ( 14.913 1.461 22.500) 27.033 13.452 ( -1.922 -1.188 14.661) 14.834 14.412 ( -1.611 4.851 -13.116) 14.077 14.757 ( -8.437 -5.817 -15.925) 18.937 15.001 ( 2.955 0.730 -4.455) 5.395 15.337 ( -6.078 5.552 10.211) 13.116 15.436 ( -6.399 0.109 5.606) 8.508 16.101 ( 8.050 -2.599 -13.044) 15.547 16.677 ( 1.713 3.095 -0.541) 3.579 16.713 ( 1.672 1.893 -0.064) 2.527 17.140 ( -3.804 -10.934 -1.045) 11.624 17.517 ( 12.548 -8.428 -13.838) 20.493 18.256 ( 3.011 -0.379 7.120) 7.740 18.728 ( -3.485 2.438 -9.628) 10.525 18.893 ( -3.719 8.248 3.800) 9.813 19.314 ( -9.795 2.367 -9.823) 14.073 20.330 ( -1.951 2.195 11.201) 11.580 20.596 ( -0.611 8.869 15.407) 17.788 21.073 ( 2.960 -11.598 3.005) 12.341 22.225 ( 0.319 1.637 -11.010) 11.136 22.709 ( -1.036 -0.640 1.391) 1.849 22.944 ( 2.264 -0.533 4.171) 4.776 23.136 ( 4.024 -0.444 -2.343) 4.678 23.308 ( -1.967 -0.346 -4.727) 5.132 ======================= Grid point 105 (50/114) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.925 -7.373 7.072) 10.258 1.796 ( -11.665 3.887 -5.339) 13.405 2.035 ( -10.828 3.033 9.409) 14.662 2.180 ( -13.463 3.300 7.766) 15.889 2.307 ( 8.057 10.885 4.548) 14.286 2.428 ( 0.215 1.296 -8.483) 8.584 2.670 ( 5.181 -9.365 0.643) 10.722 2.764 ( -9.212 6.383 -6.172) 12.794 3.126 ( 9.125 5.415 -0.291) 10.615 3.252 ( -6.108 2.745 -3.707) 7.654 3.408 ( -3.978 -0.047 10.377) 11.113 3.726 ( -7.671 -2.223 -1.974) 8.227 3.935 ( 2.576 -3.431 -9.543) 10.463 4.153 ( 8.074 -3.351 -4.249) 9.719 4.746 ( -1.749 12.606 0.561) 12.740 4.920 ( -7.438 8.697 -3.189) 11.880 4.978 ( -9.638 8.500 -1.156) 12.903 5.223 ( -3.749 3.255 12.074) 13.055 5.336 ( 1.028 2.740 -2.169) 3.643 5.678 ( 2.906 0.960 -9.562) 10.040 5.696 ( 7.301 0.759 -3.743) 8.239 5.793 ( -1.405 -4.819 -3.933) 6.377 5.979 ( -8.758 -10.098 -2.125) 13.535 6.209 ( -3.532 -5.559 -1.049) 6.669 6.340 ( -1.876 -14.654 3.276) 15.132 6.480 ( 4.435 -5.815 6.906) 10.059 6.875 ( 14.510 0.287 9.793) 17.508 6.932 ( -4.337 5.937 -2.415) 7.739 6.984 ( 8.743 8.394 4.201) 12.828 7.209 ( -0.034 -1.295 7.502) 7.613 7.247 ( 4.178 2.272 -3.407) 5.850 7.517 ( 9.040 -9.494 -2.048) 13.268 7.721 ( 2.381 -5.200 -3.042) 6.478 8.218 ( 0.642 -7.740 4.125) 8.794 8.271 ( 1.738 0.001 0.514) 1.813 8.434 ( -3.409 0.419 2.881) 4.482 8.468 ( 11.281 -4.003 -0.280) 11.973 8.780 ( 0.700 -1.228 0.589) 1.531 8.975 ( -3.208 -3.303 -3.462) 5.761 9.058 ( 0.198 -5.064 1.655) 5.332 9.208 ( -7.226 3.294 1.085) 8.015 9.289 ( 1.725 -5.087 -3.180) 6.243 9.373 ( 2.216 -5.230 -0.495) 5.701 9.790 ( 3.560 -1.473 1.980) 4.332 10.062 ( -2.804 4.441 0.164) 5.255 10.243 ( 1.150 -2.746 -1.095) 3.172 10.519 ( -7.264 6.375 0.478) 9.676 10.587 ( -1.630 7.964 -1.811) 8.328 10.919 ( -8.857 -1.685 3.577) 9.699 11.243 ( -3.371 6.925 2.295) 8.036 11.425 ( -0.382 -0.835 7.596) 7.651 11.827 ( 6.311 -9.566 2.561) 11.743 11.912 ( -3.595 -0.142 -3.788) 5.224 12.551 ( 6.294 -0.782 -6.949) 9.408 13.448 ( 2.435 2.860 12.447) 13.001 13.642 ( 10.356 -1.683 24.162) 26.342 14.097 ( -10.294 10.245 -21.488) 25.936 14.792 ( 0.919 -9.735 -7.922) 12.585 15.009 ( 2.312 1.932 -0.151) 3.017 15.224 ( -5.777 2.788 6.436) 9.087 15.394 ( -4.798 0.425 4.175) 6.374 16.180 ( 8.886 -3.097 -14.015) 16.881 16.676 ( 2.143 0.420 -4.272) 4.798 16.739 ( 4.370 0.634 4.786) 6.512 17.145 ( -9.764 -7.491 -3.360) 12.757 17.801 ( 10.934 -13.656 -11.620) 21.001 18.325 ( 2.381 1.632 3.799) 4.771 18.643 ( -8.487 9.323 0.228) 12.610 18.712 ( 5.740 0.640 1.075) 5.874 19.116 ( -8.621 1.661 -6.313) 10.813 20.252 ( -7.305 9.172 10.140) 15.502 20.515 ( -1.632 7.845 6.834) 10.532 21.305 ( 1.463 -9.349 7.089) 11.824 22.156 ( 2.215 -0.620 -12.695) 12.902 22.717 ( -0.878 -1.081 0.743) 1.579 23.001 ( 2.172 0.031 3.913) 4.476 23.183 ( 3.272 -0.491 -0.892) 3.427 23.269 ( -0.599 -0.809 -5.436) 5.528 ======================= Grid point 106 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -7.663 -3.429 0.947) 8.448 1.580 ( -0.209 2.691 1.788) 3.237 1.933 ( -12.594 -0.621 10.318) 16.293 1.998 ( -10.576 2.473 3.157) 11.311 2.188 ( -2.571 13.895 3.460) 14.549 2.453 ( -0.644 -4.096 -7.239) 8.343 2.533 ( -0.022 3.337 -4.448) 5.560 2.879 ( 7.383 -4.772 1.472) 8.914 3.127 ( -6.118 -0.396 -5.445) 8.200 3.204 ( 10.943 3.488 0.406) 11.493 3.375 ( -5.765 2.281 5.847) 8.522 3.644 ( -9.210 -1.097 4.590) 10.349 3.993 ( 7.372 -2.409 -12.586) 14.783 4.295 ( 7.598 -2.384 -1.551) 8.113 4.462 ( -11.390 7.145 -1.505) 13.530 4.699 ( -1.658 9.692 -0.765) 9.862 4.848 ( 0.489 1.892 -1.650) 2.558 5.180 ( -7.783 0.906 1.204) 7.928 5.331 ( -1.411 0.881 7.850) 8.024 5.653 ( 0.973 -2.046 -10.890) 11.123 5.764 ( 9.215 1.229 -5.390) 10.746 5.824 ( -0.064 -2.667 -0.856) 2.802 5.998 ( -7.658 -7.506 -0.115) 10.724 6.242 ( -0.021 -3.916 -1.206) 4.098 6.525 ( -1.623 -8.792 4.831) 10.162 6.615 ( 0.866 0.227 6.175) 6.239 6.764 ( -2.254 5.369 -4.393) 7.294 6.985 ( 5.371 6.161 7.345) 10.989 7.058 ( 6.270 0.027 2.212) 6.649 7.229 ( -0.547 1.606 1.343) 2.164 7.342 ( 6.838 -3.968 1.577) 8.061 7.663 ( 6.449 -1.996 -1.547) 6.926 7.888 ( 6.737 -7.663 0.186) 10.205 8.221 ( -1.849 3.023 -7.166) 7.995 8.358 ( -0.755 -6.242 6.784) 9.250 8.408 ( 1.998 -1.367 -0.349) 2.446 8.634 ( 6.864 4.481 3.584) 8.946 8.804 ( -1.197 -4.050 -1.745) 4.569 8.985 ( -4.027 -7.504 0.368) 8.524 9.078 ( -5.359 2.354 1.809) 6.126 9.104 ( -3.848 -2.856 1.100) 4.917 9.366 ( 1.771 -3.150 0.650) 3.671 9.575 ( 8.594 -10.474 -0.629) 13.563 9.844 ( 2.704 2.290 -1.204) 3.742 9.951 ( -6.207 -0.108 2.438) 6.670 10.193 ( -4.955 8.181 0.528) 9.580 10.343 ( -5.783 7.313 4.492) 10.349 10.504 ( 1.894 0.583 -3.716) 4.211 10.861 ( -2.941 -0.831 1.479) 3.395 11.107 ( -2.481 7.779 -1.639) 8.328 11.443 ( -4.607 -1.101 5.426) 7.203 11.832 ( -1.105 -0.421 0.088) 1.186 12.052 ( 4.248 -4.111 0.569) 5.939 12.647 ( 7.828 -3.792 -7.078) 11.214 13.480 ( -0.764 2.699 11.475) 11.812 13.655 ( -9.779 7.451 -22.274) 25.442 13.995 ( 9.051 -3.524 25.716) 27.490 14.850 ( -0.104 2.048 2.385) 3.146 15.017 ( 0.188 -2.882 -1.450) 3.232 15.223 ( -0.453 -3.834 0.240) 3.868 15.335 ( -5.001 1.538 2.672) 5.875 16.263 ( 9.733 -3.096 -13.615) 17.020 16.668 ( 1.477 0.346 -3.940) 4.222 16.813 ( 6.142 3.598 2.457) 7.530 17.130 ( -11.925 -12.360 -1.701) 17.258 17.971 ( 1.139 -6.475 -9.463) 11.523 18.195 ( -4.232 11.204 0.701) 11.997 18.535 ( 3.731 1.509 7.174) 8.226 18.922 ( 2.664 -0.737 5.357) 6.028 19.026 ( 7.001 -9.532 -7.091) 13.789 20.016 ( -12.434 12.579 8.318) 19.546 20.410 ( -2.487 6.851 3.344) 8.019 21.382 ( -2.253 0.695 0.670) 2.451 22.198 ( 5.442 -6.261 -9.687) 12.754 22.723 ( -1.179 -1.082 0.709) 1.750 23.031 ( 0.668 1.083 3.198) 3.442 23.200 ( 0.018 0.002 -2.599) 2.599 23.274 ( 3.275 -0.811 -3.274) 4.701 ======================= Grid point 112 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 4.732 -0.000 8.281) 9.538 1.873 ( -6.237 0.000 2.445) 6.699 2.095 ( -16.601 0.000 13.719) 21.536 2.251 ( -13.656 0.000 6.588) 15.163 2.259 ( -6.576 0.000 -21.548) 22.529 2.551 ( 11.544 -0.000 0.516) 11.555 2.643 ( 2.235 -0.000 -4.228) 4.783 2.819 ( -1.209 0.000 5.581) 5.710 3.243 ( -12.486 0.000 7.676) 14.657 3.329 ( 0.844 -0.000 -5.956) 6.015 3.346 ( -1.903 0.000 9.513) 9.702 3.706 ( 3.640 -0.000 -12.886) 13.390 3.846 ( -5.665 0.000 -4.989) 7.548 4.089 ( 5.305 -0.000 -5.765) 7.834 4.998 ( -2.406 0.000 7.102) 7.498 5.132 ( -0.607 0.000 3.900) 3.947 5.151 ( 1.301 -0.000 7.837) 7.945 5.227 ( -2.417 0.000 -7.336) 7.724 5.457 ( -8.830 0.000 -8.639) 12.353 5.519 ( -11.230 0.000 -11.824) 16.307 5.673 ( -3.491 0.000 -0.034) 3.491 5.729 ( -7.943 0.000 -2.057) 8.205 5.825 ( -3.058 0.000 -2.344) 3.853 6.055 ( -4.085 0.000 -6.847) 7.973 6.092 ( -0.262 0.000 2.784) 2.797 6.408 ( 15.977 -0.000 6.808) 17.367 6.843 ( 8.518 -0.000 8.073) 11.736 7.016 ( 0.432 -0.000 2.564) 2.600 7.227 ( 5.330 -0.000 3.106) 6.169 7.277 ( 19.580 -0.000 7.946) 21.131 7.322 ( 2.974 -0.000 -3.098) 4.295 7.359 ( 8.999 -0.000 4.612) 10.112 7.571 ( -3.602 0.000 5.919) 6.929 8.029 ( 2.544 -0.000 -6.830) 7.288 8.201 ( -0.591 0.000 -0.113) 0.602 8.420 ( -3.300 0.000 2.107) 3.915 8.564 ( 20.508 -0.000 12.488) 24.011 8.709 ( -3.300 0.000 -12.987) 13.399 8.944 ( 2.761 -0.000 3.951) 4.820 8.997 ( 2.111 -0.000 7.370) 7.667 9.096 ( -3.602 0.000 -14.115) 14.567 9.316 ( -2.399 0.000 -3.337) 4.110 9.329 ( -2.312 0.000 2.259) 3.232 9.759 ( 1.773 -0.000 2.976) 3.464 10.139 ( -8.840 0.000 -1.749) 9.011 10.152 ( 5.609 -0.000 1.887) 5.918 10.614 ( -2.326 0.000 -2.981) 3.782 10.730 ( -8.142 0.000 -0.795) 8.181 10.870 ( -7.291 0.000 7.916) 10.762 11.365 ( -4.025 0.000 7.594) 8.595 11.497 ( 0.757 -0.000 5.864) 5.912 11.525 ( 8.447 -0.000 0.456) 8.459 11.944 ( -5.136 0.000 -5.346) 7.413 12.546 ( 3.090 -0.000 -7.131) 7.771 13.499 ( -1.613 0.000 15.303) 15.387 13.632 ( 16.595 -0.000 25.357) 30.305 14.409 ( -13.544 0.000 -26.749) 29.983 14.445 ( 3.322 -0.000 -7.844) 8.518 15.018 ( 3.612 -0.000 -4.951) 6.129 15.340 ( -11.442 0.000 6.411) 13.115 15.373 ( -4.049 0.000 7.516) 8.537 16.135 ( 9.648 -0.000 -10.032) 13.918 16.699 ( 1.528 -0.000 -4.049) 4.328 16.705 ( -3.566 0.000 0.889) 3.675 17.138 ( 5.672 -0.000 7.299) 9.244 17.492 ( 11.789 -0.000 -22.442) 25.350 18.347 ( 5.134 -0.000 7.216) 8.856 18.646 ( -1.271 0.000 -7.358) 7.467 18.929 ( -5.948 0.000 5.232) 7.922 19.106 ( -16.319 0.000 -9.066) 18.668 20.398 ( 0.457 -0.000 8.690) 8.702 20.789 ( -4.035 0.000 24.900) 25.224 20.975 ( 2.747 -0.000 -3.554) 4.492 22.171 ( -0.646 0.000 -13.042) 13.058 22.693 ( -0.929 0.000 -0.387) 1.006 23.001 ( 3.364 -0.000 4.029) 5.249 23.177 ( 4.246 -0.000 -1.107) 4.387 23.250 ( -2.183 0.000 -4.987) 5.444 ======================= Grid point 113 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -0.539 -2.269 1.659) 2.862 1.689 ( -11.363 6.300 -1.899) 13.131 1.891 ( -20.354 -3.711 8.340) 22.308 2.075 ( -11.119 2.762 2.241) 11.674 2.187 ( -8.789 -10.207 -6.807) 15.092 2.543 ( -1.289 8.031 2.299) 8.452 2.661 ( -5.491 1.410 -1.330) 5.823 2.849 ( 10.320 3.866 -0.359) 11.026 3.065 ( -16.212 -3.437 -0.046) 16.573 3.303 ( 6.303 3.615 1.707) 7.464 3.433 ( 0.225 -0.270 9.330) 9.336 3.659 ( 0.308 4.234 -6.360) 7.647 3.869 ( 5.920 -6.927 -9.024) 12.825 4.168 ( 5.966 -4.139 -2.967) 7.844 4.888 ( -18.790 17.776 -5.459) 26.435 4.909 ( -6.245 3.534 5.679) 9.151 5.061 ( 4.699 11.477 -2.753) 12.704 5.147 ( -9.042 -2.005 2.905) 9.706 5.282 ( -15.160 0.108 -0.008) 15.160 5.510 ( -5.106 -7.842 -4.606) 10.430 5.648 ( -6.534 -3.644 -1.895) 7.718 5.720 ( 2.729 -12.168 -3.849) 13.051 5.874 ( 6.656 0.340 -4.851) 8.243 6.013 ( 0.684 -8.006 -7.024) 10.673 6.192 ( 3.369 -7.053 4.692) 9.116 6.651 ( 15.068 0.228 4.735) 15.796 6.976 ( 5.513 1.849 2.290) 6.250 7.063 ( 5.349 -0.711 5.331) 7.585 7.246 ( -0.623 10.059 4.685) 11.114 7.285 ( 3.667 6.017 7.574) 10.345 7.373 ( 8.497 4.255 -4.279) 10.421 7.618 ( 7.836 -2.192 0.861) 8.182 7.658 ( 12.093 -6.357 7.537) 15.603 8.118 ( 3.253 -8.666 0.459) 9.268 8.258 ( 2.657 -4.344 -0.603) 5.127 8.386 ( -1.662 -0.036 -0.679) 1.796 8.566 ( 0.328 2.181 -8.923) 9.192 8.827 ( 1.336 -2.668 2.109) 3.654 8.946 ( 4.245 4.351 -2.105) 6.433 8.992 ( -0.706 -1.193 3.354) 3.629 9.162 ( 0.882 -3.514 1.052) 3.772 9.265 ( 2.749 -0.488 -0.480) 2.833 9.341 ( -0.690 -1.543 3.686) 4.055 9.812 ( 1.641 -2.092 3.076) 4.066 9.999 ( -9.189 1.462 -2.367) 9.601 10.206 ( -2.846 -3.057 0.504) 4.207 10.541 ( -1.877 3.806 -0.787) 4.316 10.622 ( -3.550 4.381 -0.539) 5.665 10.823 ( -7.282 -1.198 6.181) 9.626 11.311 ( -2.670 4.784 0.724) 5.527 11.478 ( 1.315 4.254 4.410) 6.266 11.757 ( 5.233 -12.001 3.332) 13.509 11.866 ( -2.402 0.269 0.198) 2.425 12.549 ( 2.856 -1.770 -8.198) 8.861 13.551 ( -2.037 1.726 15.639) 15.866 13.934 ( 6.052 7.213 3.529) 10.055 14.003 ( -3.540 5.469 -6.451) 9.168 14.582 ( 3.762 -14.459 -9.961) 17.957 15.045 ( 2.321 -0.517 -1.242) 2.683 15.192 ( -11.425 3.089 5.480) 13.043 15.367 ( -3.713 0.108 6.198) 7.226 16.217 ( 10.376 -0.658 -9.011) 13.758 16.678 ( 0.871 -0.213 -3.706) 3.813 16.721 ( -1.946 -4.716 0.022) 5.102 17.137 ( 3.211 11.329 1.814) 11.914 17.644 ( 8.227 -15.038 -14.657) 22.553 18.429 ( 4.808 3.666 4.166) 7.342 18.668 ( 0.662 1.426 2.090) 2.616 18.757 ( -3.286 1.909 -4.342) 5.770 18.934 ( -12.674 -4.049 -0.480) 13.314 20.384 ( -2.263 8.883 8.818) 12.720 20.668 ( -4.579 13.747 10.518) 17.905 21.185 ( 0.491 -14.729 7.233) 16.417 22.085 ( 0.220 -1.154 -16.298) 16.340 22.684 ( -1.106 -1.167 -1.307) 2.072 23.059 ( 3.035 0.673 2.927) 4.270 23.198 ( -0.693 0.092 -3.353) 3.425 23.238 ( 3.177 -1.300 -1.226) 3.645 ======================= Grid point 114 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -20.222 -5.518 -3.980) 21.336 1.629 ( -7.822 -4.419 6.918) 11.339 1.789 ( -8.511 -1.287 10.135) 13.297 1.982 ( 3.325 3.521 4.098) 6.344 2.201 ( -8.489 -10.794 -7.224) 15.516 2.409 ( -4.867 11.356 3.446) 12.826 2.481 ( -5.202 -0.569 -0.194) 5.237 2.917 ( -7.068 -6.033 -4.013) 10.122 2.999 ( 4.584 -0.100 -3.011) 5.485 3.310 ( -3.372 2.604 0.220) 4.266 3.459 ( 6.269 6.949 -1.773) 9.526 3.600 ( -0.519 0.252 8.991) 9.010 3.992 ( 9.311 -3.430 -12.855) 16.239 4.289 ( -0.145 -6.036 0.702) 6.078 4.420 ( -12.257 10.766 -5.691) 17.278 4.815 ( -2.539 8.197 2.882) 9.053 4.927 ( 2.870 7.278 -4.400) 8.976 5.081 ( -8.398 -1.640 6.837) 10.953 5.108 ( -18.635 -5.249 -0.823) 19.378 5.474 ( -7.008 -4.987 -8.326) 11.971 5.637 ( -8.353 -8.927 -1.436) 12.309 5.846 ( -2.704 -4.348 -4.519) 6.829 5.925 ( 10.306 -2.692 -2.713) 10.992 6.225 ( 9.251 -7.279 -0.023) 11.772 6.417 ( 6.663 -9.995 5.418) 13.177 6.774 ( 7.956 6.003 -1.803) 10.128 6.952 ( 8.661 10.642 -3.583) 14.181 7.081 ( -7.349 5.155 9.122) 12.798 7.175 ( 4.865 5.029 3.011) 7.617 7.272 ( -0.176 3.360 4.342) 5.493 7.420 ( 7.661 1.564 1.664) 7.994 7.732 ( 6.473 -5.001 -2.758) 8.632 7.949 ( 12.983 -0.918 7.601) 15.073 8.236 ( 1.861 1.197 -8.662) 8.940 8.322 ( 4.143 -3.845 8.838) 10.491 8.435 ( 5.287 -2.284 0.121) 5.761 8.604 ( 1.574 -9.621 -7.407) 12.243 8.802 ( -6.234 -5.555 -1.765) 8.535 8.932 ( 1.235 6.461 3.455) 7.430 8.992 ( -3.507 2.774 4.629) 6.436 9.123 ( 2.432 2.552 -0.345) 3.542 9.351 ( -1.548 -0.162 4.422) 4.688 9.491 ( 6.837 -13.127 -0.484) 14.809 9.850 ( -8.052 2.047 -1.836) 8.509 9.889 ( 1.451 -3.128 4.290) 5.504 10.158 ( -8.819 -0.296 2.427) 9.152 10.449 ( -4.430 10.372 5.304) 12.464 10.522 ( 1.160 1.052 -2.471) 2.926 10.813 ( -1.343 -2.256 0.028) 2.626 11.177 ( -2.776 7.143 -3.484) 8.418 11.444 ( -0.577 3.850 2.606) 4.685 11.831 ( 0.542 -0.546 2.557) 2.670 12.033 ( 4.140 -7.567 4.362) 9.666 12.601 ( 3.670 -6.459 -9.692) 12.212 13.501 ( -12.332 6.559 -18.531) 23.205 13.585 ( -2.283 6.355 8.713) 11.024 14.237 ( 10.051 -0.465 23.362) 25.436 14.786 ( 4.968 -10.914 -10.640) 16.031 14.991 ( -10.053 3.892 8.366) 13.645 15.131 ( -1.291 -4.946 -1.752) 5.404 15.334 ( -2.926 2.841 4.360) 5.971 16.327 ( 12.655 -0.776 -6.856) 14.414 16.668 ( 1.470 0.234 -5.133) 5.344 16.789 ( -5.878 -11.632 -0.953) 13.067 16.997 ( 1.159 9.824 -1.603) 10.021 17.862 ( 4.818 -7.770 -3.339) 9.733 18.332 ( -1.279 11.082 0.295) 11.159 18.615 ( 2.481 -1.586 3.613) 4.661 18.828 ( -10.946 -3.757 2.690) 11.881 19.020 ( 17.305 -12.281 -1.219) 21.255 20.154 ( -9.449 18.902 9.985) 23.372 20.492 ( -4.539 8.302 3.515) 10.094 21.336 ( -3.092 -3.581 1.239) 4.891 22.095 ( 4.504 -8.791 -14.521) 17.562 22.685 ( -0.998 -1.778 -0.793) 2.188 23.079 ( 0.851 2.168 2.219) 3.217 23.174 ( -0.458 -0.485 -3.746) 3.805 23.290 ( 2.905 -0.994 -0.995) 3.228 ======================= Grid point 121 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -15.161 0.000 -1.097) 15.200 1.417 ( -28.570 0.000 -11.866) 30.936 1.813 ( 6.376 -0.000 6.077) 8.808 1.902 ( -23.876 0.000 10.882) 26.239 2.054 ( 1.978 -0.000 5.258) 5.618 2.510 ( -11.026 0.000 2.058) 11.216 2.628 ( -4.317 0.000 -0.534) 4.350 2.832 ( -12.482 0.000 -1.985) 12.639 2.955 ( 3.715 -0.000 -4.364) 5.731 3.338 ( 0.266 -0.000 -4.727) 4.734 3.587 ( 8.539 -0.000 16.303) 18.404 3.728 ( -4.144 0.000 -1.334) 4.353 3.807 ( 13.051 -0.000 -13.797) 18.992 4.187 ( 4.171 -0.000 -1.905) 4.586 4.648 ( -27.391 0.000 -8.661) 28.728 4.938 ( -2.623 0.000 12.082) 12.363 4.964 ( -15.274 0.000 -2.350) 15.454 5.059 ( -5.433 0.000 -5.146) 7.484 5.350 ( -2.967 0.000 -2.890) 4.142 5.380 ( -7.584 0.000 3.268) 8.258 5.490 ( 3.381 -0.000 -10.163) 10.710 5.570 ( -3.209 0.000 -1.445) 3.520 5.882 ( 3.707 -0.000 -6.503) 7.485 6.022 ( 8.589 -0.000 1.293) 8.685 6.275 ( 12.869 -0.000 2.068) 13.034 6.853 ( 12.545 -0.000 1.771) 12.669 7.081 ( 5.204 -0.000 0.108) 5.205 7.113 ( 0.067 -0.000 6.155) 6.155 7.307 ( 1.378 -0.000 -1.714) 2.200 7.459 ( 1.561 -0.000 -0.133) 1.567 7.496 ( 4.056 -0.000 7.673) 8.679 7.586 ( 5.679 -0.000 4.825) 7.451 7.928 ( 17.371 -0.000 5.430) 18.199 8.123 ( 8.447 -0.000 -1.456) 8.571 8.261 ( 3.290 -0.000 2.430) 4.091 8.392 ( 3.710 -0.000 1.037) 3.852 8.490 ( -3.276 0.000 -9.926) 10.453 8.746 ( -9.263 0.000 2.912) 9.710 8.915 ( 0.948 -0.000 -10.321) 10.365 9.100 ( 3.512 -0.000 1.267) 3.734 9.252 ( 0.662 -0.000 4.889) 4.934 9.304 ( 9.295 -0.000 5.747) 10.929 9.358 ( 0.264 -0.000 6.930) 6.935 9.816 ( 0.023 -0.000 2.449) 2.449 9.911 ( -4.449 0.000 -0.975) 4.555 10.093 ( -9.856 0.000 0.714) 9.882 10.532 ( -1.345 0.000 -1.117) 1.748 10.657 ( 3.100 -0.000 -4.454) 5.427 10.758 ( -8.854 0.000 12.419) 15.253 11.290 ( -5.101 0.000 -2.024) 5.488 11.634 ( 6.180 -0.000 5.596) 8.337 11.685 ( 3.148 -0.000 0.769) 3.241 11.861 ( -0.944 0.000 5.781) 5.857 12.495 ( -0.373 0.000 -11.197) 11.203 13.573 ( -9.574 0.000 2.217) 9.827 13.822 ( -4.579 0.000 -16.719) 17.335 14.229 ( 6.855 -0.000 18.696) 19.913 14.470 ( 7.370 -0.000 -9.231) 11.812 15.052 ( 0.524 -0.000 0.029) 0.525 15.094 ( -12.986 0.000 8.815) 15.695 15.372 ( -1.608 0.000 6.697) 6.888 16.304 ( 10.428 -0.000 -6.201) 12.133 16.648 ( -1.012 0.000 0.510) 1.133 16.690 ( 1.646 -0.000 -4.824) 5.097 17.406 ( 1.727 -0.000 -23.874) 23.936 17.446 ( 8.348 -0.000 19.455) 21.171 18.561 ( -17.687 0.000 -6.322) 18.783 18.569 ( 6.006 -0.000 5.672) 8.262 18.779 ( 15.222 -0.000 -3.378) 15.592 18.782 ( -9.210 0.000 5.289) 10.620 20.477 ( -0.743 0.000 5.904) 5.951 20.882 ( -10.037 0.000 23.495) 25.549 21.011 ( 2.821 -0.000 -3.357) 4.385 21.947 ( -2.236 0.000 -24.437) 24.539 22.653 ( -0.749 0.000 -1.659) 1.821 23.118 ( 3.279 -0.000 0.765) 3.367 23.161 ( -0.828 0.000 -3.896) 3.983 23.275 ( 2.996 -0.000 0.966) 3.148 ======================= Grid point 122 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -25.623 3.058 -3.885) 26.096 1.253 ( -23.132 -17.780 1.532) 29.215 1.724 ( -23.076 -11.321 14.299) 29.413 1.925 ( 3.780 -0.158 3.050) 4.860 2.210 ( 15.722 2.425 10.870) 19.267 2.387 ( -7.076 -0.350 -0.841) 7.134 2.513 ( -4.630 6.215 -0.225) 7.753 2.707 ( -5.997 -3.470 -5.920) 9.113 2.970 ( -3.215 -2.231 -2.376) 4.578 3.282 ( -2.863 1.269 -5.852) 6.638 3.571 ( -4.810 7.880 -0.795) 9.266 3.763 ( 10.128 2.586 8.783) 13.653 3.962 ( 6.002 -6.695 -7.538) 11.733 4.177 ( -8.646 -0.215 -1.437) 8.768 4.360 ( -2.831 0.931 -5.922) 6.629 4.713 ( -18.546 -0.059 -1.475) 18.605 4.953 ( -4.436 4.034 -1.211) 6.117 4.997 ( -1.665 -0.057 6.895) 7.093 5.152 ( -0.442 10.895 -6.039) 12.464 5.298 ( -7.582 -0.454 -2.622) 8.035 5.378 ( -10.272 -4.678 -3.645) 11.861 5.742 ( 5.076 -12.608 -8.099) 15.822 5.966 ( 8.088 -0.135 3.113) 8.667 6.209 ( 6.668 -9.235 2.787) 11.726 6.485 ( 12.294 -3.404 2.944) 13.092 6.901 ( 0.899 8.254 -8.030) 11.551 7.084 ( 0.914 0.047 4.246) 4.343 7.120 ( -0.922 0.272 -0.973) 1.368 7.328 ( 0.390 7.322 6.738) 9.958 7.410 ( 10.614 6.816 -1.182) 12.669 7.591 ( 6.023 2.321 7.606) 9.976 7.698 ( 4.193 -2.754 -2.219) 5.486 8.144 ( 9.881 -1.815 4.712) 11.097 8.207 ( 3.655 -1.680 -8.678) 9.565 8.365 ( 3.655 -6.349 -2.288) 7.675 8.401 ( -2.328 -1.372 5.896) 6.486 8.596 ( 13.754 -3.729 6.075) 15.491 8.659 ( -6.878 -2.945 1.191) 7.576 8.885 ( 2.589 0.963 -4.373) 5.172 9.128 ( -6.107 6.980 -0.878) 9.316 9.184 ( 2.690 -4.137 1.031) 5.041 9.390 ( 0.480 2.424 6.316) 6.783 9.487 ( 10.173 0.560 5.225) 11.450 9.811 ( -4.700 5.575 3.274) 7.993 9.858 ( -0.720 -4.058 1.610) 4.425 10.029 ( -7.894 -4.240 3.263) 9.536 10.540 ( 2.958 -0.789 0.127) 3.064 10.558 ( -5.426 9.740 4.432) 11.998 10.758 ( -4.638 -1.271 4.690) 6.718 11.196 ( -1.083 2.559 -4.255) 5.082 11.572 ( 3.140 9.926 1.000) 10.459 11.845 ( 0.729 -1.572 4.446) 4.771 11.998 ( 5.764 -10.766 8.200) 14.710 12.448 ( -1.328 -7.383 -16.092) 17.754 13.287 ( -15.239 3.647 -23.072) 27.890 13.735 ( -0.646 9.044 13.791) 16.505 14.403 ( 2.533 -5.685 15.050) 16.286 14.606 ( 6.416 -12.006 -15.720) 20.795 14.968 ( -10.062 5.536 12.838) 17.225 15.071 ( -1.744 -2.219 4.153) 5.021 15.380 ( -0.887 2.617 6.029) 6.632 16.435 ( 11.707 -4.099 -3.386) 12.858 16.626 ( -2.236 2.406 -1.009) 3.436 16.684 ( 1.383 0.011 -4.233) 4.453 17.130 ( -3.032 12.970 -8.511) 15.807 17.856 ( 12.554 -11.408 15.024) 22.660 18.371 ( -8.328 -2.620 -0.423) 8.741 18.618 ( 2.268 1.553 1.187) 2.994 18.716 ( -4.887 -0.994 7.216) 8.771 19.066 ( 19.216 -10.550 -3.823) 22.253 20.391 ( -6.038 17.925 8.845) 20.880 20.582 ( -9.642 15.538 4.866) 18.923 21.208 ( -3.322 -9.421 1.041) 10.043 21.854 ( 0.388 -15.052 -29.709) 33.306 22.652 ( 0.068 -1.242 -0.364) 1.296 23.128 ( 0.471 1.600 -1.269) 2.096 23.148 ( 0.899 0.246 -2.476) 2.646 23.303 ( 0.921 -0.033 -1.298) 1.592 ======================= Grid point 130 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -25.416 0.000 -4.719) 25.850 0.687 ( -24.589 0.000 6.909) 25.541 1.352 ( -36.492 0.000 33.556) 49.574 2.068 ( 5.748 -0.000 5.615) 8.036 2.290 ( -0.481 0.000 -1.223) 1.314 2.464 ( -2.824 0.000 -7.766) 8.264 2.525 ( 18.469 -0.000 5.696) 19.327 2.599 ( -4.366 0.000 -3.066) 5.335 2.937 ( -0.162 0.000 4.048) 4.051 3.182 ( -4.994 0.000 -13.191) 14.105 3.510 ( -12.930 0.000 -1.562) 13.024 3.866 ( -14.625 0.000 9.278) 17.320 3.904 ( 1.852 -0.000 2.020) 2.741 4.179 ( 15.284 -0.000 -4.865) 16.040 4.366 ( 4.474 -0.000 -2.263) 5.014 4.523 ( -7.832 0.000 0.968) 7.892 4.881 ( -7.552 0.000 -8.900) 11.673 4.984 ( -3.964 0.000 0.459) 3.990 5.119 ( -8.626 0.000 -0.506) 8.641 5.168 ( -3.807 0.000 -0.391) 3.827 5.426 ( -2.123 0.000 -2.582) 3.342 5.560 ( 6.888 -0.000 -7.372) 10.089 6.170 ( 0.843 -0.000 7.348) 7.396 6.207 ( 15.160 -0.000 2.273) 15.329 6.601 ( 4.728 -0.000 5.113) 6.964 6.910 ( -11.051 0.000 -5.191) 12.210 7.041 ( 5.841 -0.000 -5.831) 8.254 7.116 ( 0.927 -0.000 -4.325) 4.423 7.463 ( 0.087 -0.000 -4.054) 4.055 7.557 ( 5.256 -0.000 11.789) 12.907 7.676 ( 11.163 -0.000 -2.388) 11.415 7.785 ( 1.871 -0.000 3.043) 3.573 8.133 ( -1.104 0.000 -9.432) 9.497 8.195 ( 6.024 -0.000 -4.273) 7.386 8.408 ( -2.230 0.000 12.763) 12.956 8.446 ( 8.126 -0.000 -0.011) 8.126 8.557 ( -5.423 0.000 10.748) 12.039 8.763 ( 11.028 -0.000 2.436) 11.294 9.018 ( 13.652 -0.000 -2.462) 13.872 9.042 ( -10.431 0.000 -2.784) 10.797 9.148 ( 1.959 -0.000 1.577) 2.515 9.479 ( 4.331 -0.000 5.055) 6.657 9.674 ( 7.578 -0.000 6.630) 10.069 9.800 ( -3.132 0.000 0.566) 3.183 9.868 ( -4.855 0.000 2.078) 5.281 9.948 ( 2.989 -0.000 5.902) 6.616 10.515 ( -10.614 0.000 -9.826) 14.464 10.582 ( 4.401 -0.000 -0.235) 4.408 10.897 ( 9.807 -0.000 36.578) 37.870 11.179 ( 1.822 -0.000 -5.853) 6.131 11.759 ( 1.861 -0.000 2.090) 2.798 11.910 ( -2.291 0.000 6.214) 6.623 11.925 ( 5.573 -0.000 -0.087) 5.574 12.190 ( -8.583 0.000 -22.251) 23.849 12.990 ( -14.905 0.000 -15.395) 21.428 13.980 ( 9.557 -0.000 21.100) 23.164 14.333 ( -1.627 0.000 2.014) 2.590 14.475 ( -2.855 0.000 -11.893) 12.231 15.033 ( -3.290 0.000 17.160) 17.473 15.061 ( -2.229 0.000 8.624) 8.908 15.439 ( 0.088 -0.000 9.290) 9.290 16.499 ( 7.017 -0.000 -2.183) 7.348 16.684 ( 1.997 -0.000 -4.583) 4.999 16.696 ( 6.689 -0.000 -0.741) 6.730 17.134 ( -6.146 0.000 -13.854) 15.156 18.162 ( 28.238 -0.000 47.466) 55.230 18.187 ( -7.312 0.000 -1.440) 7.453 18.612 ( -5.850 0.000 4.920) 7.643 18.765 ( 3.178 -0.000 8.202) 8.796 19.202 ( 20.942 -0.000 -8.407) 22.567 20.499 ( -1.702 0.000 4.645) 4.947 20.758 ( -18.228 0.000 18.383) 25.888 21.028 ( 0.965 -0.000 -7.694) 7.755 21.265 ( -26.055 0.000 -70.475) 75.137 22.653 ( 1.041 -0.000 1.258) 1.632 23.120 ( 0.271 -0.000 -2.429) 2.444 23.164 ( 0.415 -0.000 -4.400) 4.419 23.277 ( -2.971 0.000 -5.420) 6.181 ======================= Grid point 131 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 2.473 -0.000 22.546) 22.681 1.136 ( -3.621 0.000 21.652) 21.953 1.721 ( -14.575 0.000 31.239) 34.472 1.973 ( -14.637 0.000 -3.742) 15.108 2.084 ( 7.405 -0.000 -15.231) 16.935 2.325 ( 5.079 -0.000 -7.577) 9.122 2.655 ( -1.534 0.000 6.408) 6.589 2.753 ( 6.180 -0.000 -0.987) 6.258 2.804 ( 10.412 -0.000 -4.553) 11.364 3.051 ( -19.794 0.000 6.262) 20.761 3.296 ( 10.191 -0.000 -1.438) 10.292 3.707 ( -3.243 0.000 -5.104) 6.048 4.073 ( 5.340 -0.000 7.126) 8.905 4.267 ( -7.634 0.000 -0.828) 7.679 4.279 ( -1.182 0.000 -4.080) 4.248 4.568 ( 12.283 -0.000 -6.929) 14.102 4.656 ( 6.354 -0.000 -12.558) 14.074 4.671 ( -1.212 0.000 -5.736) 5.862 5.129 ( -10.917 0.000 3.075) 11.341 5.166 ( 11.160 -0.000 3.673) 11.749 5.602 ( 5.324 -0.000 5.211) 7.450 5.611 ( 3.010 -0.000 0.386) 3.035 6.302 ( -4.205 0.000 -3.561) 5.510 6.415 ( -6.757 0.000 -2.568) 7.229 6.571 ( -7.773 0.000 11.722) 14.065 6.908 ( -2.131 0.000 1.872) 2.836 6.953 ( 1.192 -0.000 -4.963) 5.104 7.007 ( 14.257 -0.000 -8.179) 16.437 7.419 ( -3.499 0.000 4.360) 5.591 7.480 ( 1.007 -0.000 6.852) 6.926 7.844 ( -5.671 0.000 4.754) 7.400 7.928 ( -2.997 0.000 -8.587) 9.095 8.045 ( -3.698 0.000 -7.378) 8.253 8.118 ( 5.252 -0.000 -6.439) 8.310 8.390 ( 12.002 -0.000 2.960) 12.362 8.693 ( -1.274 0.000 0.432) 1.345 8.695 ( -6.601 0.000 6.442) 9.224 8.737 ( -5.720 0.000 -0.842) 5.782 9.080 ( 8.036 -0.000 6.037) 10.051 9.217 ( -1.038 0.000 -1.772) 2.054 9.383 ( 0.917 -0.000 5.798) 5.870 9.542 ( -1.559 0.000 3.938) 4.236 9.725 ( -14.742 0.000 -4.818) 15.509 9.831 ( 0.606 -0.000 -3.658) 3.708 9.943 ( 2.693 -0.000 4.453) 5.204 10.034 ( -0.219 0.000 4.520) 4.526 10.156 ( -34.786 0.000 -1.307) 34.811 10.292 ( 23.723 -0.000 -2.138) 23.819 10.673 ( -4.571 0.000 2.168) 5.059 10.943 ( 0.956 -0.000 -11.024) 11.066 11.804 ( -7.569 0.000 1.204) 7.664 11.890 ( 14.791 -0.000 -2.763) 15.047 11.974 ( 0.134 -0.000 4.989) 4.991 12.141 ( -5.871 0.000 -2.641) 6.437 13.295 ( 8.180 -0.000 5.948) 10.114 13.796 ( -3.469 0.000 -19.033) 19.347 14.467 ( -4.906 0.000 8.007) 9.391 14.797 ( 22.633 -0.000 -7.184) 23.746 15.248 ( -8.486 0.000 5.105) 9.903 15.260 ( -1.229 0.000 2.195) 2.516 16.122 ( 9.567 -0.000 11.802) 15.193 16.481 ( 0.260 -0.000 -6.437) 6.442 16.566 ( -4.540 0.000 -3.552) 5.764 16.704 ( -0.045 0.000 -7.433) 7.433 17.126 ( 26.234 -0.000 4.863) 26.681 17.274 ( -72.243 0.000 -1.729) 72.263 18.254 ( 2.907 -0.000 6.639) 7.247 18.495 ( -2.395 0.000 -3.378) 4.141 18.858 ( -4.183 0.000 7.070) 8.214 19.298 ( 12.591 -0.000 -13.363) 18.360 20.575 ( -31.166 0.000 10.224) 32.800 20.629 ( -3.446 0.000 7.471) 8.227 20.910 ( 47.906 -0.000 -6.105) 48.293 20.941 ( 13.594 -0.000 -6.468) 15.054 22.825 ( 1.328 -0.000 6.072) 6.216 22.904 ( -6.533 0.000 2.633) 7.044 23.108 ( 3.120 -0.000 -1.189) 3.339 23.156 ( -0.068 0.000 -3.604) 3.604 ======================= Grid point 132 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -11.891 -9.285 18.793) 24.100 1.234 ( 2.500 -7.954 20.761) 22.373 1.709 ( -4.391 3.597 -1.634) 5.907 1.940 ( 1.173 -7.653 10.324) 12.905 2.115 ( 8.860 -0.015 -12.035) 14.945 2.319 ( 0.428 -1.171 -2.028) 2.381 2.622 ( -4.685 0.248 4.241) 6.324 2.802 ( 3.616 2.410 6.133) 7.516 2.875 ( -9.238 -2.283 3.584) 10.168 3.073 ( 12.687 -6.127 -2.485) 14.306 3.449 ( 14.978 -1.632 -2.564) 15.283 3.699 ( 3.251 -1.780 -4.713) 5.996 4.028 ( -10.493 1.386 3.620) 11.187 4.181 ( -2.682 3.623 -4.316) 6.241 4.368 ( 6.909 -4.309 4.033) 9.087 4.607 ( -0.495 1.060 -7.209) 7.304 4.632 ( 5.772 -0.937 -8.140) 10.023 4.731 ( 8.842 -3.058 -8.306) 12.511 5.022 ( -7.594 -1.091 2.621) 8.107 5.322 ( 10.590 1.913 0.642) 10.781 5.522 ( 7.743 11.157 7.050) 15.301 5.625 ( -2.848 5.206 -9.880) 11.526 6.307 ( -1.133 -6.325 5.829) 8.675 6.421 ( -8.903 -11.624 2.463) 14.848 6.566 ( -2.473 -2.227 3.847) 5.087 6.834 ( -5.096 2.354 -0.226) 5.618 6.946 ( 0.856 -0.275 -4.939) 5.021 7.098 ( 2.936 0.314 -6.528) 7.165 7.398 ( -1.407 3.486 5.908) 7.003 7.470 ( -1.420 7.259 10.045) 12.474 7.718 ( -11.423 3.693 -0.953) 12.043 7.842 ( -4.489 -1.519 -8.182) 9.456 7.929 ( -5.467 1.127 -2.162) 5.986 8.182 ( 8.232 -1.594 -3.219) 8.982 8.483 ( 1.373 4.377 2.807) 5.378 8.535 ( -5.540 2.990 -7.364) 9.688 8.707 ( -1.587 -0.897 4.594) 4.942 8.830 ( 2.865 -6.781 5.649) 9.279 9.117 ( -5.299 0.345 -0.046) 5.310 9.140 ( -7.930 -0.778 0.927) 8.022 9.380 ( -0.323 2.268 10.277) 10.530 9.538 ( -0.531 -0.125 -3.287) 3.332 9.585 ( -14.501 5.527 5.557) 16.483 9.723 ( -10.292 -6.008 4.065) 12.591 9.930 ( 0.057 1.292 -1.273) 1.815 9.984 ( 4.540 -2.035 -0.229) 4.981 10.063 ( 0.142 1.552 5.174) 5.404 10.572 ( 23.342 4.747 -4.686) 24.277 10.677 ( -3.385 -3.799 3.858) 6.386 10.948 ( -1.138 -7.247 -6.118) 9.552 11.731 ( -5.389 -3.363 -2.138) 6.703 11.891 ( -1.555 6.002 1.696) 6.428 12.029 ( -3.413 -0.328 2.232) 4.091 12.188 ( 11.388 -5.147 -3.402) 12.952 13.404 ( 4.277 -0.291 6.606) 7.875 13.634 ( -6.170 0.550 -18.740) 19.738 14.462 ( -3.422 -2.598 4.269) 6.057 14.983 ( 9.335 -3.194 -10.830) 14.650 15.085 ( -4.741 11.788 10.818) 16.687 15.262 ( 1.319 3.107 3.724) 5.026 15.955 ( -15.370 27.511 12.044) 33.736 16.231 ( 5.493 3.233 3.365) 7.208 16.580 ( -1.924 -3.633 -5.832) 7.135 16.653 ( -0.117 0.557 -2.352) 2.419 17.014 ( -25.296 -24.320 -2.479) 35.178 17.655 ( 28.373 -11.873 10.403) 32.469 18.354 ( 6.219 -1.289 7.064) 9.499 18.453 ( -2.035 -0.749 -4.660) 5.140 18.810 ( -5.523 3.093 5.634) 8.474 19.321 ( 10.752 5.992 -14.498) 19.019 20.119 ( -28.867 6.222 6.168) 30.168 20.539 ( 0.532 10.926 4.724) 11.916 21.016 ( -2.304 -10.784 -5.765) 12.444 21.609 ( 32.753 -14.898 -17.487) 40.007 22.850 ( -1.868 0.825 4.925) 5.331 22.909 ( 0.885 -3.144 4.139) 5.273 23.127 ( -0.459 0.223 -3.910) 3.943 23.149 ( 3.613 -0.285 -1.550) 3.942 ======================= Grid point 133 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -5.336 -11.260 11.074) 16.670 1.489 ( 5.067 -5.515 15.108) 16.862 1.652 ( -5.458 -7.815 -2.062) 9.753 2.087 ( 6.365 0.709 0.746) 6.448 2.161 ( 7.005 2.005 -4.490) 8.559 2.372 ( -1.425 -3.905 2.729) 4.972 2.610 ( 0.414 -0.466 2.804) 2.872 2.701 ( -7.453 -0.842 2.595) 7.937 3.006 ( 6.023 -3.131 -1.080) 6.873 3.195 ( 5.108 2.445 3.934) 6.895 3.638 ( 6.331 1.524 -0.326) 6.520 3.748 ( 6.764 -1.160 -8.201) 10.693 3.870 ( -11.208 0.930 1.448) 11.340 4.116 ( 2.462 1.031 -4.468) 5.204 4.424 ( -4.619 -2.134 -4.678) 6.911 4.607 ( 7.389 2.611 -1.379) 7.957 4.694 ( 2.808 -4.903 -0.430) 5.666 4.874 ( 7.685 -5.654 -4.670) 10.623 5.059 ( 6.460 -4.635 5.062) 9.425 5.382 ( 2.403 4.929 -9.796) 11.226 5.452 ( 11.475 -2.629 -0.191) 11.774 5.664 ( 8.882 0.238 1.487) 9.008 6.300 ( -10.464 -3.226 -0.514) 10.962 6.465 ( -11.187 1.648 2.155) 11.511 6.611 ( -2.219 -6.877 3.516) 8.036 6.798 ( 0.624 -1.738 6.374) 6.636 6.893 ( -3.060 2.920 -9.130) 10.062 7.011 ( -8.095 1.451 -1.815) 8.422 7.254 ( -5.597 6.187 -0.438) 8.354 7.426 ( -0.639 8.254 10.072) 13.038 7.501 ( -7.736 7.052 0.569) 10.483 7.769 ( -4.685 -1.202 -4.481) 6.593 7.902 ( -2.805 -3.811 4.517) 6.542 8.296 ( -5.537 -3.153 -5.460) 8.391 8.364 ( 12.540 4.930 -6.782) 15.085 8.477 ( -0.443 4.467 7.010) 8.324 8.670 ( -3.667 3.013 1.344) 4.932 8.955 ( -3.441 -8.188 1.506) 9.008 9.035 ( -11.597 -5.298 0.192) 12.751 9.165 ( 3.328 -4.719 2.621) 6.342 9.266 ( -10.129 8.294 2.045) 13.250 9.471 ( -0.463 3.239 6.805) 7.551 9.571 ( -5.191 -5.288 -3.206) 8.074 9.696 ( 4.610 3.240 4.554) 7.245 9.891 ( -2.045 -1.562 0.481) 2.618 10.110 ( 4.609 0.302 3.703) 5.921 10.139 ( 5.182 -5.670 2.740) 8.155 10.632 ( 9.027 9.501 -9.247) 16.040 10.721 ( -1.205 -4.559 2.563) 5.367 11.015 ( -3.972 -4.989 2.984) 7.040 11.717 ( -5.130 -1.122 -5.383) 7.520 11.796 ( -1.473 -0.153 1.812) 2.340 12.019 ( 2.332 2.907 5.756) 6.857 12.376 ( 8.979 -5.002 -5.450) 11.634 13.415 ( -9.411 0.989 -17.424) 19.828 13.505 ( 2.141 -1.786 9.678) 10.071 14.506 ( -1.755 -6.180 1.152) 6.526 14.925 ( -2.928 8.459 14.506) 17.046 15.103 ( 6.671 -1.730 -7.175) 9.949 15.224 ( 3.902 8.922 1.885) 9.919 15.610 ( -10.159 9.709 13.450) 19.452 16.239 ( 10.457 9.895 -6.389) 15.751 16.585 ( -0.190 -3.470 -3.646) 5.037 16.644 ( 0.401 -0.213 -1.099) 1.190 17.030 ( -18.821 -19.828 -4.557) 27.715 18.072 ( 10.595 1.546 6.164) 12.354 18.429 ( 1.771 5.569 5.384) 7.946 18.499 ( 3.676 -1.243 5.372) 6.626 18.766 ( 4.679 -3.024 4.533) 7.182 19.266 ( 10.919 9.681 -11.984) 18.883 19.822 ( -24.389 -8.681 4.167) 26.221 20.424 ( 0.487 8.332 2.971) 8.860 21.082 ( -3.793 -9.032 -7.364) 12.255 21.985 ( 16.671 -8.106 -14.356) 23.446 22.844 ( -1.491 0.957 4.469) 4.807 22.993 ( 1.077 -3.208 3.306) 4.731 23.091 ( -0.928 -0.286 -5.428) 5.515 23.197 ( 4.560 0.016 -1.217) 4.719 ======================= Grid point 134 (61/114) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 7.578 -8.083 1.804) 11.225 1.650 ( -2.266 -4.156 11.007) 11.981 1.760 ( 0.180 -9.300 2.935) 9.753 2.049 ( -5.529 5.687 -3.073) 8.506 2.173 ( -1.514 1.180 6.295) 6.581 2.383 ( -0.493 -0.587 -0.718) 1.050 2.593 ( 0.719 0.495 4.578) 4.661 2.841 ( 7.226 -7.795 0.945) 10.671 2.998 ( -1.764 3.001 -7.946) 8.675 3.209 ( 6.575 7.337 -0.335) 9.857 3.519 ( -10.225 3.677 5.003) 11.963 3.779 ( -0.073 2.150 -4.755) 5.219 3.803 ( -0.188 -2.310 -2.835) 3.662 4.140 ( 4.226 -0.240 -5.859) 7.228 4.368 ( 0.395 -0.765 -8.347) 8.392 4.663 ( 5.049 1.719 2.971) 6.106 4.811 ( 4.331 -2.217 4.605) 6.699 4.990 ( 1.150 -4.840 -3.799) 6.260 5.317 ( 9.838 -6.386 -1.023) 11.774 5.420 ( 10.407 -6.313 -2.806) 12.491 5.697 ( 11.851 -6.017 -5.610) 14.427 5.760 ( 5.031 -0.510 5.456) 7.439 6.164 ( -7.283 4.536 -1.128) 8.654 6.228 ( -14.556 0.328 -6.413) 15.910 6.561 ( -14.705 3.628 2.428) 15.339 6.671 ( -5.920 4.921 -1.398) 7.824 6.938 ( 3.836 -1.488 5.747) 7.068 6.958 ( -0.079 -3.787 -4.550) 5.921 7.142 ( -7.087 2.406 3.865) 8.423 7.324 ( 0.801 9.442 11.016) 14.531 7.393 ( -3.481 -3.896 -3.098) 6.074 7.693 ( -4.834 0.946 -3.626) 6.117 8.000 ( 0.711 -5.317 8.708) 10.227 8.160 ( -1.154 6.123 -3.924) 7.364 8.442 ( 9.435 4.550 -2.126) 10.689 8.540 ( 0.507 -1.948 4.992) 5.382 8.603 ( -0.302 -1.925 3.183) 3.732 8.962 ( -10.656 0.611 2.791) 11.032 9.030 ( -4.035 -4.756 2.026) 6.558 9.052 ( -3.956 1.629 -4.908) 6.511 9.243 ( -3.666 -1.053 -1.508) 4.102 9.375 ( 0.465 7.110 -4.238) 8.290 9.579 ( -0.042 -4.709 0.718) 4.764 9.783 ( -0.650 -3.717 1.227) 3.967 9.973 ( 7.640 -1.568 7.644) 10.921 10.172 ( 3.725 1.877 2.261) 4.745 10.266 ( -0.798 -4.949 4.977) 7.064 10.527 ( 4.257 7.752 -7.047) 11.308 10.787 ( 1.468 -3.983 -1.056) 4.374 10.987 ( -8.820 -0.802 2.820) 9.295 11.575 ( -7.182 3.741 -0.215) 8.101 11.878 ( 4.454 -4.503 -1.453) 6.498 12.050 ( 2.504 2.953 6.666) 7.709 12.477 ( 4.292 -2.557 -9.348) 10.600 13.211 ( -8.472 -1.376 -12.924) 15.514 13.632 ( 0.568 -4.101 14.678) 15.251 14.604 ( 1.584 -6.992 -0.213) 7.173 14.835 ( -2.814 10.034 9.711) 14.245 15.144 ( 3.640 0.053 -9.069) 9.773 15.179 ( 3.360 4.975 5.888) 8.409 15.498 ( -6.333 3.847 13.194) 15.132 16.161 ( 8.219 8.664 -10.608) 15.973 16.616 ( 2.457 0.603 -3.408) 4.244 16.661 ( 1.181 -2.999 -2.434) 4.039 17.086 ( -10.247 -16.918 -2.634) 19.954 17.974 ( -4.903 11.656 -6.517) 14.226 18.303 ( -0.707 9.823 3.598) 10.485 18.616 ( 3.218 -3.231 6.424) 7.878 18.993 ( 7.547 -1.416 10.755) 13.215 19.244 ( 13.828 7.047 -5.530) 16.476 19.778 ( -15.233 -14.817 6.482) 22.217 20.353 ( -1.330 2.646 1.805) 3.468 21.109 ( -2.656 -6.867 -9.097) 11.703 22.147 ( 8.908 -1.734 -8.867) 12.687 22.824 ( -2.333 1.886 4.318) 5.258 23.053 ( -0.663 -2.108 3.240) 3.922 23.062 ( 0.101 -1.532 -7.148) 7.311 23.244 ( 4.474 0.597 -1.537) 4.768 ======================= Grid point 135 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -4.273 12.075 5.462) 13.925 1.749 ( 9.114 -4.922 3.214) 10.845 1.829 ( -8.915 -3.784 0.293) 9.689 1.975 ( 4.681 -7.938 2.092) 9.450 2.134 ( -6.590 4.572 7.455) 10.950 2.384 ( 1.284 -0.080 -0.981) 1.618 2.651 ( 1.085 1.182 5.114) 5.360 2.832 ( -6.520 4.691 -7.609) 11.064 2.959 ( 4.565 -1.919 -2.892) 5.734 3.262 ( 9.982 -1.118 -2.109) 10.264 3.406 ( -10.143 1.248 6.879) 12.319 3.740 ( -0.562 -0.203 -1.786) 1.884 3.788 ( 1.231 1.053 -5.748) 5.972 4.152 ( 1.615 -0.823 -4.685) 5.024 4.357 ( 4.430 2.087 -7.367) 8.847 4.715 ( 1.751 0.006 5.487) 5.760 4.853 ( -2.440 2.104 0.484) 3.258 5.044 ( 2.151 -3.191 0.195) 3.854 5.348 ( -4.042 1.842 -8.761) 9.822 5.506 ( -13.457 6.233 5.910) 15.964 5.760 ( 8.361 0.773 -2.274) 8.699 5.845 ( 5.214 -1.520 -1.349) 5.596 6.019 ( -10.147 2.768 -3.427) 11.062 6.286 ( 14.881 -4.587 0.855) 15.595 6.429 ( -0.349 -7.880 -1.008) 7.951 6.522 ( -9.713 2.484 -3.630) 10.663 6.906 ( -1.460 2.637 5.615) 6.373 7.022 ( -0.778 -4.235 -3.055) 5.280 7.161 ( 2.530 -3.384 5.583) 7.001 7.260 ( -0.313 5.347 8.304) 9.882 7.532 ( 4.980 -7.800 1.412) 9.361 7.593 ( -2.255 -2.416 -10.179) 10.702 7.984 ( -6.963 4.824 4.732) 9.703 8.206 ( 5.152 -5.149 3.382) 8.031 8.504 ( 2.905 2.309 -2.137) 4.282 8.533 ( 10.795 3.436 4.937) 12.358 8.759 ( -5.063 1.860 -0.059) 5.395 8.779 ( -0.527 -3.419 9.283) 9.907 9.009 ( -1.832 1.939 -1.147) 2.904 9.041 ( -5.773 -2.238 -0.337) 6.201 9.102 ( -1.163 4.230 -7.310) 8.525 9.316 ( 0.459 1.271 -4.792) 4.979 9.663 ( 2.719 -1.965 1.490) 3.671 9.783 ( -6.196 -1.946 -1.602) 6.689 10.108 ( 5.574 3.204 6.378) 9.056 10.174 ( 0.569 0.953 1.783) 2.100 10.316 ( -6.178 -4.558 5.391) 9.381 10.502 ( 6.794 1.898 -2.119) 7.366 10.867 ( 2.185 -4.886 -3.135) 6.203 10.882 ( -4.688 2.209 0.521) 5.208 11.472 ( -3.997 0.863 1.944) 4.528 11.988 ( 5.322 -1.325 3.288) 6.394 12.040 ( -3.361 1.702 2.213) 4.369 12.463 ( 0.914 -0.409 -12.886) 12.925 13.105 ( -4.881 -2.068 -6.406) 8.315 13.786 ( -1.661 -5.088 18.705) 19.456 14.653 ( -2.512 2.921 -15.435) 15.909 14.759 ( 4.557 0.862 12.985) 13.788 15.079 ( -2.860 3.856 -5.333) 7.175 15.212 ( 0.178 -0.104 8.758) 8.761 15.446 ( -4.948 3.816 12.044) 13.568 16.154 ( 8.598 -1.402 -9.372) 12.795 16.594 ( 1.333 2.041 -3.706) 4.436 16.719 ( 2.328 -4.109 -5.806) 7.484 17.156 ( -0.948 2.040 0.473) 2.299 17.737 ( -3.131 1.548 -5.393) 6.426 18.229 ( 0.380 2.223 0.297) 2.275 18.704 ( 1.782 -1.183 2.883) 3.590 19.059 ( -2.173 2.402 8.385) 8.989 19.320 ( 14.534 6.330 -2.127) 15.995 19.882 ( -7.094 -11.212 9.740) 16.459 20.332 ( -3.846 -3.091 1.148) 5.066 21.108 ( -1.453 -3.831 -10.884) 11.630 22.172 ( 4.114 4.287 -5.920) 8.388 22.786 ( -2.171 2.241 4.535) 5.505 23.052 ( 0.695 -1.716 -6.472) 6.732 23.082 ( -1.603 -1.647 2.276) 3.234 23.270 ( 3.076 1.122 -2.350) 4.030 ======================= Grid point 136 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -5.020 19.318 7.323) 21.261 1.776 ( -5.353 2.853 7.507) 9.652 1.900 ( -4.830 5.913 -0.947) 7.694 2.018 ( 3.223 -4.850 2.868) 6.492 2.186 ( 8.209 -4.613 -3.471) 10.036 2.409 ( 1.558 -2.131 -2.633) 3.729 2.603 ( -7.039 5.086 8.485) 12.141 2.689 ( -1.009 3.517 4.457) 5.767 3.061 ( 2.807 0.274 -0.283) 2.834 3.235 ( -9.724 0.653 -1.289) 9.831 3.380 ( 1.919 -2.390 1.173) 3.282 3.739 ( -0.885 -1.983 -2.311) 3.171 3.792 ( 6.315 -1.150 -8.483) 10.638 4.143 ( -1.222 -0.024 -2.543) 2.821 4.334 ( 4.943 4.180 -4.329) 7.788 4.743 ( -6.645 2.147 -0.213) 6.987 4.776 ( -0.250 -2.536 1.286) 2.854 4.959 ( -13.970 5.641 1.730) 15.165 5.237 ( 0.732 4.118 -2.061) 4.663 5.314 ( -8.095 1.165 5.621) 9.923 5.603 ( -13.549 11.306 -3.070) 17.912 5.878 ( 4.760 4.607 1.259) 6.743 6.048 ( 9.807 -2.849 1.032) 10.264 6.350 ( -9.288 -2.813 -7.372) 12.187 6.421 ( 9.416 -1.016 -0.775) 9.502 6.713 ( 4.939 -10.500 -0.181) 11.605 6.980 ( 9.932 -0.998 6.151) 11.725 7.107 ( 6.781 -7.390 -4.784) 11.112 7.175 ( -1.693 3.488 -1.196) 4.058 7.291 ( -2.860 -2.563 7.104) 8.075 7.529 ( 2.027 -1.917 -1.726) 3.280 7.793 ( 5.831 -12.969 -10.154) 17.473 7.865 ( -4.286 4.397 6.681) 9.074 8.303 ( 0.591 -1.532 2.751) 3.203 8.480 ( -3.817 -0.015 -3.583) 5.235 8.604 ( 2.127 6.878 -0.530) 7.219 8.713 ( 8.870 3.151 8.242) 12.512 8.881 ( 7.747 4.135 0.275) 8.786 8.918 ( -1.448 0.397 -1.116) 1.870 9.059 ( 1.109 1.201 0.386) 1.680 9.106 ( 1.943 -8.058 5.590) 9.998 9.291 ( 0.032 -2.416 -4.433) 5.048 9.640 ( -3.191 5.463 -2.095) 6.665 9.736 ( -1.756 -1.615 2.287) 3.304 10.085 ( -2.079 4.819 2.474) 5.803 10.173 ( -3.809 0.588 2.442) 4.563 10.328 ( -6.949 -7.372 2.817) 10.515 10.534 ( 0.774 1.931 -4.857) 5.284 10.837 ( -1.040 -3.064 2.755) 4.250 10.994 ( 13.315 0.165 -1.671) 13.420 11.470 ( -1.144 -2.240 4.004) 4.728 11.935 ( -9.510 0.901 -1.959) 9.751 12.087 ( 4.335 -0.445 4.576) 6.319 12.398 ( 0.319 1.187 -10.841) 10.911 13.047 ( -2.031 1.178 -2.628) 3.524 13.926 ( -3.168 -3.598 20.898) 21.440 14.444 ( -1.898 6.578 -21.022) 22.109 14.913 ( 4.519 -0.239 10.439) 11.378 14.942 ( -6.490 0.489 -0.194) 6.512 15.283 ( -3.060 -5.905 9.137) 11.301 15.386 ( -4.697 4.274 10.369) 12.159 16.287 ( 7.487 -8.097 -9.699) 14.687 16.568 ( 1.955 1.358 -3.603) 4.318 16.756 ( 0.465 -2.673 -6.762) 7.286 16.986 ( 4.700 19.145 1.517) 19.772 17.849 ( 3.021 -12.833 -0.300) 13.187 18.265 ( 3.048 -5.011 2.192) 6.262 18.739 ( 2.653 1.250 0.224) 2.942 18.999 ( -6.161 2.733 6.587) 9.424 19.390 ( 12.856 6.857 -2.627) 14.805 19.969 ( -7.825 -6.662 4.514) 11.225 20.357 ( -4.501 -7.003 1.741) 8.504 21.046 ( -0.796 2.002 -12.485) 12.670 22.058 ( -0.044 11.114 -5.995) 12.628 22.764 ( -0.468 2.270 5.306) 5.790 23.054 ( 1.457 -1.215 -5.514) 5.832 23.087 ( -2.896 -1.558 1.747) 3.724 23.262 ( 0.760 1.342 -3.151) 3.508 ======================= Grid point 137 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 1.452 16.191 14.894) 22.047 1.460 ( -12.673 22.066 8.572) 26.851 1.932 ( 5.382 -5.191 -1.670) 7.661 2.075 ( -2.202 1.880 0.602) 2.957 2.252 ( -2.977 -3.778 -6.866) 8.383 2.400 ( -7.418 6.149 6.014) 11.358 2.480 ( -3.607 1.938 8.417) 9.360 2.690 ( 1.394 5.173 1.611) 5.594 2.964 ( 0.426 1.140 2.088) 2.417 3.223 ( -0.341 2.393 0.959) 2.600 3.410 ( -10.280 -5.928 2.194) 12.068 3.769 ( 1.460 -5.974 -4.981) 7.914 3.867 ( 6.157 -2.478 -6.029) 8.966 4.133 ( 1.801 -0.055 3.505) 3.941 4.309 ( 3.759 2.838 -5.665) 7.367 4.613 ( -2.486 5.657 2.578) 6.695 4.717 ( -5.142 1.266 -6.333) 8.255 4.901 ( -2.057 -3.029 0.752) 3.738 5.092 ( -6.068 2.164 -1.692) 6.661 5.199 ( -12.778 6.204 4.345) 14.854 5.337 ( -3.933 3.226 -0.249) 5.092 5.863 ( 3.177 5.273 -4.292) 7.505 6.213 ( 6.341 -3.017 6.852) 9.811 6.336 ( -0.002 -5.066 0.632) 5.105 6.560 ( 10.467 -0.515 -0.405) 10.488 6.812 ( 1.882 0.711 4.637) 5.054 7.063 ( -3.836 2.103 -4.214) 6.074 7.111 ( 2.140 -0.594 -6.936) 7.282 7.259 ( 2.476 -0.465 -0.293) 2.536 7.372 ( 8.165 -7.447 -2.242) 11.276 7.661 ( 1.824 -10.129 3.746) 10.953 7.792 ( -2.333 -1.322 4.972) 5.649 7.956 ( 3.576 -4.496 -8.230) 10.037 8.311 ( -3.677 1.621 0.238) 4.025 8.366 ( 2.211 6.451 -5.548) 8.791 8.619 ( 3.418 -0.258 0.411) 3.452 8.712 ( 4.201 0.412 0.956) 4.328 8.880 ( 0.718 4.688 3.170) 5.704 8.967 ( -4.998 4.713 2.695) 7.379 9.070 ( 15.536 3.325 2.125) 16.029 9.295 ( 2.164 -4.321 2.524) 5.452 9.416 ( 6.939 -10.368 2.439) 12.712 9.561 ( -0.310 -2.921 0.850) 3.058 9.744 ( -1.342 0.136 1.966) 2.384 9.970 ( -5.163 4.679 0.146) 6.969 10.102 ( -3.721 2.251 2.645) 5.090 10.371 ( -6.918 -3.359 -2.252) 8.013 10.422 ( -8.059 -4.365 -5.297) 10.586 10.910 ( 3.336 -1.193 -0.460) 3.573 11.158 ( 10.246 1.066 -2.239) 10.542 11.516 ( -1.699 -3.001 3.669) 5.036 11.813 ( -3.864 -1.130 -1.463) 4.284 12.125 ( -1.374 2.246 1.968) 3.287 12.327 ( -0.778 1.987 -5.012) 5.447 13.012 ( 4.336 3.716 2.815) 6.366 14.031 ( -2.349 -1.020 12.431) 12.692 14.244 ( 1.203 1.891 -16.239) 16.393 14.781 ( -2.127 10.316 3.381) 11.062 15.097 ( -2.844 -10.586 9.402) 14.441 15.312 ( -4.796 0.346 2.030) 5.220 15.447 ( -2.329 -11.297 17.614) 21.054 16.399 ( -2.234 -8.341 -8.983) 12.460 16.577 ( 3.519 -0.306 -3.010) 4.641 16.721 ( 5.023 5.613 -4.857) 8.962 16.879 ( 9.655 9.971 1.132) 13.926 18.025 ( -0.208 -8.133 1.747) 8.321 18.501 ( 8.398 -10.396 5.826) 14.579 18.730 ( 0.469 0.680 -2.238) 2.386 18.963 ( 1.164 -0.216 5.192) 5.326 19.366 ( -9.535 0.170 -13.798) 16.773 19.888 ( -1.086 6.901 -2.863) 7.550 20.446 ( -2.756 -9.396 4.206) 10.657 20.911 ( 2.424 8.462 -8.864) 12.492 21.773 ( -4.378 20.759 -6.190) 22.100 22.766 ( 0.892 2.209 5.943) 6.403 23.060 ( -1.621 -1.022 -1.162) 2.241 23.071 ( -1.455 -1.055 -2.009) 2.696 23.220 ( -1.040 1.453 -3.258) 3.715 ======================= Grid point 138 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -3.213 10.162 21.443) 23.946 1.090 ( 0.714 18.920 17.515) 25.792 1.893 ( -26.220 4.326 24.482) 36.133 2.064 ( 3.620 -4.099 -11.712) 12.926 2.171 ( -7.887 0.297 -0.879) 7.941 2.259 ( 5.879 3.205 -5.875) 8.907 2.548 ( 6.470 -1.124 2.210) 6.929 2.667 ( 1.896 -0.501 0.389) 2.000 2.929 ( -0.039 8.035 -6.825) 10.543 3.206 ( 1.951 0.622 5.706) 6.062 3.277 ( -19.493 -1.621 3.374) 19.850 3.801 ( -4.726 -1.184 -5.133) 7.077 3.940 ( 5.686 -0.833 4.502) 7.300 4.246 ( 3.811 -3.838 -1.339) 5.572 4.366 ( 11.729 -2.297 -4.222) 12.675 4.481 ( -6.132 5.769 -3.983) 9.314 4.656 ( 2.844 -0.001 -5.579) 6.262 4.765 ( -3.003 5.990 -7.528) 10.078 5.063 ( -1.825 -1.026 2.566) 3.312 5.242 ( -0.156 -3.522 5.042) 6.152 5.263 ( -1.224 -10.290 3.258) 10.862 5.758 ( 1.567 10.119 -2.725) 10.596 6.308 ( -0.815 -3.458 -2.445) 4.312 6.450 ( 2.983 -0.650 10.303) 10.746 6.666 ( -2.068 0.561 3.227) 3.874 6.821 ( 1.678 -0.347 2.524) 3.051 6.979 ( 0.732 1.800 -6.335) 6.626 7.011 ( 4.724 8.784 -7.078) 12.230 7.365 ( 1.678 -7.320 0.657) 7.539 7.452 ( -2.242 -2.156 -0.900) 3.238 7.832 ( -1.669 -4.680 5.492) 7.406 7.913 ( 5.302 -5.418 2.870) 8.106 8.003 ( 4.722 -5.541 -4.402) 8.507 8.170 ( -4.661 4.971 -6.503) 9.419 8.313 ( 6.871 4.827 -8.137) 11.693 8.681 ( 0.653 0.412 7.285) 7.326 8.750 ( 0.939 -2.315 -3.631) 4.408 8.822 ( -9.715 4.156 4.195) 11.369 8.946 ( 10.415 1.283 5.041) 11.642 9.160 ( 5.296 -0.471 -0.948) 5.401 9.347 ( 1.206 1.909 5.256) 5.720 9.587 ( 1.031 0.416 3.146) 3.337 9.716 ( 1.223 -8.805 -2.160) 9.149 9.799 ( 3.954 -8.353 4.726) 10.380 9.878 ( 2.389 1.939 -1.241) 3.317 10.070 ( 0.901 4.964 1.948) 5.408 10.171 ( -6.555 3.154 -7.454) 10.415 10.449 ( -13.734 -11.569 -3.108) 18.224 10.868 ( -13.778 3.296 -1.250) 14.222 11.043 ( -3.466 5.601 -12.746) 14.348 11.650 ( 11.596 -4.140 2.726) 12.611 11.867 ( 5.909 1.409 2.605) 6.610 12.012 ( -6.613 4.103 0.903) 7.835 12.247 ( -6.136 0.795 -2.683) 6.744 13.124 ( 12.224 0.780 7.741) 14.490 13.946 ( -3.144 1.191 -17.454) 17.775 14.372 ( 7.812 -7.258 9.039) 13.979 14.653 ( 7.902 11.481 1.142) 13.984 15.231 ( -7.676 -10.150 7.726) 14.887 15.272 ( -3.257 -0.526 2.356) 4.054 15.775 ( 3.805 -18.644 18.504) 26.542 16.407 ( -6.957 -8.312 -2.627) 11.153 16.603 ( 2.775 0.199 -3.844) 4.745 16.711 ( 5.358 1.140 -9.190) 10.699 16.918 ( 14.426 6.921 2.948) 16.270 18.120 ( -4.782 -6.167 1.596) 7.965 18.558 ( -5.084 5.161 -3.687) 8.128 18.643 ( -57.109 15.339 -30.452) 66.513 18.831 ( -2.457 -5.120 5.709) 8.052 19.129 ( 13.521 -7.331 -6.310) 16.625 20.062 ( 36.959 -0.954 12.204) 38.934 20.583 ( -5.547 -11.789 7.017) 14.798 20.808 ( 8.030 11.013 -2.110) 13.792 21.298 ( -8.341 29.063 -1.992) 30.302 22.786 ( 1.199 1.383 6.059) 6.329 22.995 ( -8.227 -0.283 0.831) 8.274 23.082 ( 2.592 0.086 -2.212) 3.409 23.177 ( -0.317 0.576 -2.986) 3.058 ======================= Grid point 140 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -6.009 0.000 19.478) 20.384 1.392 ( 9.427 -0.000 6.414) 11.403 1.573 ( -7.986 0.000 0.900) 8.037 2.076 ( 11.162 -0.000 -1.934) 11.328 2.228 ( 14.758 -0.000 2.816) 15.024 2.304 ( -2.477 0.000 7.900) 8.279 2.600 ( -2.000 0.000 2.395) 3.120 2.682 ( -11.547 0.000 -1.728) 11.676 2.955 ( 8.509 -0.000 0.837) 8.550 3.219 ( 14.450 -0.000 0.204) 14.452 3.572 ( 6.907 -0.000 2.000) 7.190 3.735 ( 6.942 -0.000 -4.873) 8.481 3.967 ( -5.026 0.000 4.474) 6.729 4.139 ( -1.966 0.000 -5.767) 6.093 4.384 ( 0.056 -0.000 -6.095) 6.095 4.589 ( -2.252 0.000 -6.940) 7.296 4.685 ( 14.742 -0.000 -0.677) 14.758 4.763 ( 9.415 -0.000 -9.418) 13.317 5.019 ( 3.551 -0.000 5.762) 6.768 5.466 ( 7.794 -0.000 -1.842) 8.009 5.619 ( -0.184 0.000 -4.652) 4.656 5.621 ( -4.951 0.000 -4.846) 6.928 6.245 ( -5.565 0.000 7.278) 9.162 6.333 ( 5.169 -0.000 10.272) 11.499 6.491 ( -6.521 0.000 -3.349) 7.330 6.790 ( -3.983 0.000 3.478) 5.287 6.919 ( -1.505 0.000 -4.645) 4.882 7.042 ( -6.786 0.000 -8.878) 11.175 7.389 ( -9.291 0.000 -0.012) 9.291 7.568 ( -6.640 0.000 14.260) 15.731 7.584 ( -12.362 0.000 9.344) 15.496 7.670 ( -5.417 0.000 -10.259) 11.601 7.882 ( -4.388 0.000 -0.642) 4.435 8.194 ( -2.308 0.000 -6.319) 6.727 8.452 ( 8.317 -0.000 -9.597) 12.699 8.581 ( -3.825 0.000 8.691) 9.496 8.750 ( 0.616 -0.000 4.842) 4.881 8.817 ( -2.941 0.000 1.124) 3.149 8.964 ( -6.491 0.000 -0.591) 6.518 9.079 ( -7.593 0.000 -0.519) 7.611 9.403 ( -5.470 0.000 -0.981) 5.558 9.407 ( -5.168 0.000 8.313) 9.789 9.568 ( -4.128 0.000 9.289) 10.165 9.746 ( 8.339 -0.000 3.619) 9.090 9.903 ( -7.387 0.000 2.690) 7.862 10.008 ( 2.773 -0.000 -3.979) 4.850 10.133 ( 7.284 -0.000 1.942) 7.539 10.660 ( 0.371 -0.000 4.980) 4.994 10.743 ( -0.663 0.000 -11.652) 11.671 10.944 ( 12.879 -0.000 4.844) 13.760 11.641 ( -0.544 0.000 -2.593) 2.649 11.866 ( -7.725 0.000 0.613) 7.749 12.077 ( 1.176 -0.000 9.408) 9.481 12.256 ( 11.014 -0.000 -5.786) 12.441 13.438 ( -9.962 0.000 -19.396) 21.805 13.477 ( 1.619 -0.000 8.358) 8.513 14.381 ( -3.794 0.000 -5.007) 6.282 14.977 ( 2.649 -0.000 -9.585) 9.944 15.169 ( -1.282 0.000 10.405) 10.484 15.358 ( 3.001 -0.000 8.157) 8.691 15.937 ( -25.490 0.000 18.483) 31.486 16.373 ( -1.399 0.000 -10.810) 10.900 16.468 ( 9.334 -0.000 -1.739) 9.495 16.617 ( -1.379 0.000 -3.813) 4.055 16.724 ( -2.255 0.000 2.513) 3.377 18.071 ( 29.044 -0.000 21.097) 35.898 18.388 ( -2.680 0.000 -6.155) 6.713 18.492 ( 13.276 -0.000 8.173) 15.590 18.804 ( -4.501 0.000 5.681) 7.248 19.373 ( 5.443 -0.000 -15.308) 16.247 19.743 ( -33.640 0.000 -2.779) 33.755 20.644 ( -2.913 0.000 7.474) 8.022 20.910 ( 1.935 -0.000 -6.710) 6.984 21.775 ( 24.015 -0.000 -18.106) 30.076 22.871 ( 0.865 -0.000 1.114) 1.410 22.921 ( 0.132 -0.000 6.438) 6.439 23.095 ( -0.927 0.000 -5.317) 5.397 23.193 ( 4.322 -0.000 -0.336) 4.335 ======================= Grid point 141 (67/114) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 8.155 -6.907 11.879) 15.979 1.390 ( -4.667 -6.049 -7.750) 10.882 1.682 ( 8.949 0.257 12.530) 15.400 2.173 ( 8.782 -0.968 -8.478) 12.244 2.319 ( -0.863 5.295 4.878) 7.251 2.360 ( 2.912 2.796 5.562) 6.873 2.580 ( -2.801 -1.762 -1.088) 3.483 2.638 ( 3.643 -4.699 2.524) 6.459 3.057 ( 5.573 0.862 -0.091) 5.640 3.343 ( 7.627 1.994 1.077) 7.956 3.659 ( -5.987 -4.334 7.282) 10.376 3.741 ( 1.084 5.725 -4.029) 7.084 3.903 ( 3.747 5.523 -3.794) 7.677 4.123 ( 2.047 -0.844 -3.331) 4.000 4.339 ( 1.485 -0.516 -10.411) 10.529 4.611 ( 6.009 -5.289 -1.553) 8.154 4.820 ( 12.155 3.347 -3.360) 13.048 4.931 ( 14.618 -1.112 -2.032) 14.801 5.148 ( 8.661 -2.601 8.383) 12.331 5.405 ( -2.315 4.180 -8.889) 10.092 5.554 ( 9.504 -0.734 -4.757) 10.654 5.688 ( 0.442 -5.875 -1.983) 6.217 6.209 ( -5.533 2.315 6.179) 8.611 6.340 ( -9.793 3.231 -6.647) 12.269 6.513 ( -0.556 -7.665 9.528) 12.241 6.782 ( -5.357 0.208 5.410) 7.616 6.823 ( -8.558 2.869 -8.153) 12.164 6.914 ( -3.598 -5.618 -0.125) 6.672 7.178 ( -12.878 4.500 -2.688) 13.904 7.410 ( -14.994 1.370 -5.049) 15.880 7.535 ( -6.400 1.532 12.666) 14.273 7.646 ( -3.547 -0.982 7.269) 8.147 7.848 ( -5.892 -3.435 3.605) 7.715 8.123 ( -4.661 -4.946 -7.451) 10.085 8.512 ( -8.040 2.518 5.734) 10.191 8.590 ( 18.397 3.184 -5.229) 19.389 8.694 ( -4.652 2.696 -2.781) 6.053 8.816 ( -2.697 -5.486 0.628) 6.145 8.883 ( -3.496 1.831 -0.134) 3.949 9.083 ( -2.389 -7.970 -0.937) 8.373 9.303 ( -5.621 8.017 3.620) 10.439 9.435 ( -1.203 -2.709 1.870) 3.505 9.547 ( -2.250 3.153 9.852) 10.586 9.789 ( -2.353 3.018 0.405) 3.848 9.912 ( 6.945 -4.178 2.861) 8.595 10.023 ( -4.079 -6.790 -0.270) 7.925 10.268 ( 11.100 1.788 1.439) 11.335 10.647 ( -5.009 -1.192 -8.259) 9.733 10.715 ( 2.161 -0.650 4.893) 5.389 11.052 ( 3.986 3.702 2.629) 6.042 11.675 ( 2.303 1.400 -1.692) 3.182 11.770 ( -3.409 -0.635 1.985) 3.995 12.133 ( 1.970 1.961 9.884) 10.268 12.374 ( 7.114 -3.290 -6.253) 10.027 13.181 ( -12.989 -0.519 -18.280) 22.431 13.549 ( -0.332 -1.619 11.573) 11.691 14.358 ( -0.550 -6.335 -8.458) 10.582 14.965 ( 0.334 -1.698 -5.048) 5.336 15.206 ( 2.550 5.338 11.900) 13.290 15.399 ( 1.970 4.728 6.785) 8.502 15.690 ( -11.032 9.665 12.506) 19.274 16.397 ( -5.489 -9.570 -11.050) 15.615 16.503 ( 8.835 5.188 -0.730) 10.272 16.611 ( 0.777 -3.831 -4.149) 5.700 16.713 ( -3.095 -0.502 0.131) 3.138 18.221 ( -1.057 7.443 -1.309) 7.631 18.456 ( -0.692 -7.038 4.497) 8.381 18.677 ( 2.759 11.035 6.673) 13.188 18.912 ( 17.821 -4.561 16.607) 24.783 19.360 ( 0.834 -4.641 -7.713) 9.040 19.400 ( -13.623 -2.616 -6.452) 15.299 20.571 ( -2.287 8.795 5.760) 10.759 20.935 ( 1.431 -4.454 -7.070) 8.477 21.980 ( 13.544 -6.837 -14.273) 20.830 22.874 ( 0.125 1.690 2.010) 2.629 22.970 ( -0.857 -2.910 3.655) 4.750 23.048 ( -1.109 0.173 -5.790) 5.897 23.251 ( 4.646 -0.044 -0.130) 4.648 ======================= Grid point 142 (68/114) ======================= q-point: ( 0.38 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 1.974 -9.622 -6.790) 11.940 1.584 ( 11.046 -8.874 11.048) 17.967 1.819 ( 3.301 -1.072 5.818) 6.775 2.125 ( -4.019 13.735 -2.155) 14.472 2.214 ( -0.140 1.827 5.460) 5.759 2.403 ( 2.629 -0.407 0.278) 2.675 2.607 ( 4.995 -2.926 -4.630) 7.413 2.830 ( 6.717 -6.365 2.778) 9.662 3.025 ( 0.282 7.040 -3.122) 7.707 3.389 ( 4.900 3.479 -0.436) 6.025 3.468 ( -15.538 7.116 6.726) 18.366 3.731 ( 0.487 -0.169 0.384) 0.643 3.861 ( 6.263 5.219 -9.223) 12.310 4.164 ( 4.854 -0.499 -1.383) 5.072 4.356 ( 6.999 -1.551 -8.825) 11.370 4.783 ( 8.289 0.445 -0.442) 8.313 4.929 ( 8.713 -2.463 2.012) 9.275 4.996 ( 6.322 8.189 0.760) 10.373 5.341 ( 5.600 -2.003 -5.655) 8.207 5.438 ( 8.975 -7.654 2.633) 12.085 5.713 ( 4.129 -6.233 -5.016) 9.004 5.771 ( 5.731 -3.565 -0.185) 6.752 5.996 ( -15.095 2.509 -8.789) 17.646 6.236 ( 4.325 3.945 4.938) 7.658 6.466 ( -12.563 3.943 1.032) 13.208 6.627 ( -9.236 2.731 3.007) 10.090 6.848 ( -2.306 -4.927 1.886) 5.758 7.002 ( -7.516 -3.586 0.198) 8.330 7.021 ( 0.370 -8.575 1.664) 8.743 7.186 ( -10.499 -0.318 -5.263) 11.748 7.449 ( -8.716 5.008 11.677) 15.408 7.645 ( -3.134 1.382 2.375) 4.168 7.892 ( -7.643 -10.974 8.254) 15.716 8.116 ( -2.977 -2.640 -4.755) 6.200 8.457 ( -4.112 -5.724 0.732) 7.085 8.600 ( -0.332 4.072 -3.892) 5.642 8.672 ( -0.410 -0.090 3.278) 3.305 8.849 ( 9.095 0.856 -5.596) 10.713 8.935 ( -1.140 -5.718 2.213) 6.237 9.055 ( -7.056 6.749 -1.414) 9.866 9.164 ( -1.327 -0.776 2.462) 2.903 9.424 ( -2.438 1.682 -1.424) 3.286 9.571 ( 1.502 -0.726 5.884) 6.116 9.732 ( -1.928 1.104 -1.310) 2.579 10.079 ( -0.704 -6.239 3.427) 7.153 10.107 ( 2.600 -7.578 2.155) 8.296 10.325 ( 4.279 5.227 1.128) 6.849 10.586 ( 1.433 0.079 -5.679) 5.858 10.779 ( 2.391 0.537 5.320) 5.857 11.022 ( 3.553 5.532 0.053) 6.575 11.560 ( -5.795 5.021 0.934) 7.724 11.869 ( 4.129 -4.470 1.483) 6.263 12.159 ( 0.129 3.968 8.032) 8.960 12.428 ( 2.872 -1.295 -10.256) 10.729 12.989 ( -9.524 -4.720 -9.467) 14.234 13.646 ( -2.276 -3.957 15.752) 16.400 14.441 ( 1.720 -9.933 -9.955) 14.168 14.958 ( -1.657 1.406 0.897) 2.351 15.171 ( 0.579 7.957 2.495) 8.359 15.359 ( 2.257 7.539 5.239) 9.454 15.568 ( -4.423 4.595 13.391) 14.832 16.257 ( -3.618 5.547 -13.919) 15.415 16.583 ( 1.161 -4.649 -2.627) 5.465 16.662 ( -1.063 2.004 -0.734) 2.384 16.787 ( 7.082 -14.819 -2.529) 16.618 18.036 ( -6.215 9.159 -5.038) 12.161 18.424 ( -3.357 6.484 0.413) 7.313 18.621 ( -1.407 -0.536 1.298) 1.988 19.044 ( -8.091 -3.242 4.035) 9.605 19.382 ( 8.843 -1.188 -11.560) 14.603 19.622 ( 12.964 -5.930 24.197) 28.084 20.440 ( -1.422 8.879 3.637) 9.700 20.983 ( 2.014 -4.588 -7.297) 8.852 22.136 ( 6.927 -5.576 -10.142) 13.488 22.849 ( -2.073 2.204 3.964) 4.987 23.005 ( 0.628 -1.733 -6.821) 7.066 23.017 ( -2.369 -2.168 2.288) 3.943 23.299 ( 3.717 0.641 -1.035) 3.911 ======================= Grid point 143 (69/114) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 3.438 -10.992 1.490) 11.613 1.777 ( -2.239 0.627 3.087) 3.865 1.868 ( 1.457 12.984 2.034) 13.223 1.975 ( 7.141 -8.144 4.874) 11.877 2.184 ( -1.366 5.673 4.115) 7.140 2.432 ( 5.584 1.689 -3.174) 6.642 2.685 ( 1.692 -0.082 -0.340) 1.728 2.871 ( -1.168 8.928 -2.417) 9.323 2.973 ( 7.282 -2.893 -1.762) 8.031 3.302 ( -8.475 -1.773 8.456) 12.103 3.352 ( -4.304 4.314 -1.093) 6.191 3.726 ( 0.151 0.761 -1.031) 1.291 3.820 ( 6.618 3.415 -11.559) 13.750 4.236 ( 9.889 3.661 -1.028) 10.595 4.431 ( 9.239 1.671 -5.960) 11.121 4.789 ( -1.920 3.841 4.198) 6.006 4.885 ( 0.145 6.444 -3.272) 7.228 5.090 ( 4.368 3.338 5.574) 7.829 5.331 ( 3.454 2.161 -6.888) 8.003 5.443 ( -15.403 8.244 3.218) 17.764 5.757 ( 0.823 -5.893 -2.034) 6.288 5.870 ( -1.373 -5.332 -8.329) 9.984 5.978 ( 12.102 -0.045 2.465) 12.351 6.343 ( -1.055 -4.734 4.602) 6.686 6.379 ( -13.648 2.187 -1.800) 13.939 6.406 ( 7.974 -0.672 -0.381) 8.012 6.856 ( -5.548 -7.606 0.976) 9.465 6.982 ( 0.092 1.064 3.396) 3.560 7.149 ( -0.416 -5.839 5.706) 8.175 7.287 ( 0.207 -18.833 -5.752) 19.693 7.335 ( -5.619 2.974 7.109) 9.538 7.573 ( -1.686 2.426 -3.554) 4.621 7.941 ( -9.302 -1.305 10.014) 13.730 8.151 ( 0.902 -9.116 -0.357) 9.168 8.422 ( -11.476 -0.892 -6.798) 13.368 8.616 ( -0.337 -8.457 0.816) 8.503 8.705 ( -0.833 -4.478 2.794) 5.343 8.852 ( 2.960 6.144 3.699) 7.759 8.969 ( 4.228 0.068 -0.108) 4.230 8.994 ( 0.262 -1.322 -2.007) 2.418 9.173 ( 3.193 4.496 0.863) 5.582 9.366 ( 2.472 2.135 -4.205) 5.325 9.621 ( -2.679 -3.222 -1.572) 4.475 9.688 ( -3.285 -0.162 3.452) 4.768 10.128 ( -9.270 -7.465 3.027) 12.281 10.214 ( 2.565 0.797 -0.633) 2.759 10.274 ( 1.006 5.498 0.371) 5.601 10.610 ( 5.703 3.233 -1.935) 6.835 10.797 ( 2.593 1.720 2.655) 4.090 11.062 ( 12.408 2.960 1.891) 12.896 11.460 ( -3.060 1.775 3.196) 4.768 11.931 ( -5.555 -2.274 -0.666) 6.039 12.129 ( 0.819 3.888 6.858) 7.926 12.391 ( 1.115 -0.062 -13.061) 13.109 12.965 ( -4.263 -6.040 0.154) 7.394 13.774 ( -4.375 -6.049 19.894) 21.249 14.510 ( -0.837 -4.826 -14.509) 15.314 14.885 ( -1.345 5.162 4.117) 6.739 15.071 ( -1.516 3.335 -6.246) 7.241 15.305 ( -0.763 6.667 8.483) 10.816 15.537 ( -3.234 4.932 14.113) 15.295 16.116 ( -0.409 -2.254 -14.003) 14.189 16.609 ( 0.650 1.118 -4.274) 4.465 16.650 ( 0.348 -4.091 -3.391) 5.326 17.121 ( 11.927 -14.135 -1.018) 18.523 17.778 ( -5.122 10.826 -4.202) 12.692 18.306 ( 2.018 7.717 0.104) 7.977 18.643 ( -5.515 -8.262 0.411) 9.942 18.983 ( -9.659 -1.985 0.826) 9.895 19.450 ( 5.603 -0.979 -9.009) 10.655 19.935 ( 11.170 1.380 21.428) 24.204 20.337 ( -0.748 6.113 3.502) 7.085 21.036 ( 3.757 -2.667 -6.106) 7.649 22.190 ( 1.907 -0.929 -8.447) 8.710 22.814 ( -2.334 1.676 5.541) 6.242 23.002 ( 1.207 -1.946 -6.153) 6.565 23.036 ( -2.448 -2.267 1.776) 3.780 23.310 ( 2.031 1.551 -2.636) 3.671 ======================= Grid point 144 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 1.023 17.041 3.368) 17.401 1.757 ( 0.372 -4.219 5.784) 7.169 1.928 ( -3.153 1.198 4.290) 5.457 2.036 ( 2.384 -1.350 0.262) 2.753 2.137 ( 1.636 2.657 -5.536) 6.355 2.470 ( 5.166 1.924 1.204) 5.643 2.692 ( 1.359 1.783 7.377) 7.710 2.788 ( 3.367 3.581 0.080) 4.916 3.088 ( -2.112 2.742 1.106) 3.633 3.170 ( -0.577 2.640 -2.784) 3.880 3.295 ( -9.214 -4.491 4.498) 11.194 3.706 ( 1.377 0.985 -4.974) 5.254 3.823 ( 7.786 0.321 -9.470) 12.264 4.252 ( 6.976 7.822 -2.961) 10.891 4.437 ( 4.526 6.664 -2.779) 8.521 4.723 ( -5.934 1.476 8.980) 10.864 4.798 ( 3.449 5.850 -4.853) 8.346 4.993 ( -1.089 10.192 6.053) 11.903 5.238 ( -4.790 3.592 -4.920) 7.749 5.341 ( 1.039 3.030 4.239) 5.313 5.521 ( -17.651 7.941 -3.434) 19.658 5.933 ( -8.135 5.064 -4.224) 10.472 6.106 ( 8.735 -6.271 1.964) 10.930 6.209 ( -0.396 -3.722 2.202) 4.343 6.512 ( 11.856 -5.245 -0.606) 12.979 6.639 ( 6.259 -9.732 2.544) 11.847 6.932 ( -3.443 -8.765 -0.099) 9.418 7.057 ( -1.004 -3.078 -1.105) 3.421 7.213 ( -4.955 -3.149 5.774) 8.234 7.279 ( 3.795 -1.113 4.676) 6.124 7.523 ( -0.443 -0.672 -3.033) 3.138 7.538 ( 2.549 -14.540 -11.587) 18.766 7.914 ( -2.554 0.714 9.836) 10.188 8.226 ( -15.528 -9.339 -7.031) 19.436 8.316 ( 4.569 -2.670 -0.949) 5.376 8.680 ( -0.444 -2.962 0.957) 3.144 8.774 ( -3.421 -0.456 4.679) 5.814 8.946 ( -0.792 -4.494 10.336) 11.298 8.979 ( 4.683 0.763 -5.524) 7.282 9.025 ( 4.942 -4.028 -0.429) 6.389 9.185 ( 9.512 3.575 -0.367) 10.168 9.358 ( 3.533 4.363 -1.635) 5.847 9.571 ( -3.812 -1.296 -1.606) 4.335 9.711 ( -2.870 -2.820 4.572) 6.091 10.086 ( -10.718 -2.713 0.987) 11.100 10.155 ( -1.963 4.909 -0.694) 5.333 10.222 ( 0.835 3.285 -0.325) 3.405 10.522 ( -3.609 6.638 -4.220) 8.654 10.905 ( 11.000 0.028 1.310) 11.078 11.231 ( 14.802 1.776 2.663) 15.144 11.468 ( 0.470 -0.461 5.994) 6.030 11.801 ( -10.320 0.725 -1.013) 10.395 12.153 ( -0.192 0.464 5.168) 5.192 12.332 ( -0.205 -0.474 -12.400) 12.411 13.024 ( 1.034 -3.193 4.314) 5.465 13.923 ( -5.445 -6.993 23.960) 25.547 14.352 ( -6.062 5.051 -20.242) 21.726 14.860 ( -3.027 0.029 0.888) 3.155 14.996 ( -0.373 0.737 1.746) 1.932 15.259 ( -2.520 2.120 5.759) 6.634 15.486 ( -2.916 6.215 11.632) 13.507 16.143 ( 1.682 -8.961 -14.863) 17.437 16.582 ( 1.109 0.727 -3.241) 3.502 16.690 ( 0.804 -3.350 -5.450) 6.448 17.350 ( 13.121 9.676 1.109) 16.341 17.697 ( 1.170 -9.452 0.530) 9.539 18.294 ( 5.532 -0.278 2.279) 5.989 18.714 ( -3.247 -8.350 -0.053) 8.959 18.866 ( -11.424 -1.211 -1.710) 11.615 19.386 ( -7.384 2.197 -11.209) 13.601 20.110 ( 11.123 6.091 9.696) 15.963 20.294 ( -1.035 1.385 6.261) 6.496 21.085 ( 7.476 2.128 -2.796) 8.260 22.113 ( -1.867 4.717 -9.562) 10.824 22.811 ( -0.917 0.679 6.504) 6.604 23.017 ( -1.051 -1.778 -0.644) 2.164 23.040 ( -0.065 -1.303 -2.388) 2.721 23.279 ( 0.335 2.261 -3.863) 4.489 ======================= Grid point 145 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.784 15.533 9.032) 17.985 1.664 ( -7.501 16.234 10.847) 20.916 1.876 ( -1.159 -4.734 -4.007) 6.310 2.042 ( -0.833 1.519 -7.828) 8.017 2.169 ( 4.106 0.665 -5.665) 7.028 2.507 ( 2.275 -1.141 7.501) 7.921 2.613 ( -5.850 16.729 8.726) 19.754 2.753 ( 0.312 3.660 -1.269) 3.886 3.007 ( 0.451 -3.060 6.409) 7.116 3.179 ( -12.967 -0.163 2.445) 13.197 3.288 ( 6.332 0.056 -2.023) 6.647 3.711 ( 4.119 -2.317 -5.761) 7.451 3.906 ( 8.788 -1.708 -3.470) 9.601 4.187 ( -4.177 1.712 0.265) 4.522 4.403 ( 10.419 5.906 0.450) 11.985 4.668 ( -4.559 5.126 0.713) 6.897 4.747 ( 3.801 6.518 -4.073) 8.575 4.896 ( -4.188 4.502 3.887) 7.274 5.102 ( 2.216 7.467 -3.570) 8.568 5.183 ( -8.397 6.695 2.872) 11.117 5.314 ( -3.802 1.448 -0.664) 4.122 5.754 ( -8.668 -2.450 -10.329) 13.705 6.282 ( 4.702 -2.350 8.739) 10.198 6.373 ( 8.098 -4.358 7.451) 11.836 6.701 ( 9.243 0.006 1.757) 9.408 6.829 ( -0.117 -4.072 3.016) 5.068 6.990 ( -1.372 -1.281 -2.857) 3.418 7.023 ( -0.131 -9.217 -5.771) 10.876 7.179 ( -8.269 -1.895 0.204) 8.486 7.378 ( -2.184 -3.080 -1.526) 4.072 7.593 ( 4.824 -5.360 2.635) 7.678 7.720 ( 6.794 -12.312 -5.343) 15.043 7.902 ( -4.650 -1.251 0.745) 4.873 8.173 ( -6.885 -5.217 -3.449) 9.302 8.400 ( 4.522 -1.076 -3.763) 5.981 8.672 ( -5.612 2.192 -1.272) 6.158 8.791 ( 8.163 -2.990 5.115) 10.086 8.925 ( -7.499 1.401 4.268) 8.742 8.979 ( 1.257 3.641 -2.075) 4.376 9.228 ( 5.144 5.285 0.036) 7.375 9.286 ( 0.262 -14.754 3.762) 15.228 9.374 ( 7.590 -1.020 4.942) 9.114 9.605 ( 7.967 -0.829 -0.616) 8.034 9.706 ( -8.297 -2.530 3.081) 9.205 9.953 ( -7.791 3.772 1.337) 8.759 10.102 ( 1.584 0.525 0.367) 1.708 10.194 ( -2.372 -1.171 -0.958) 2.813 10.330 ( -6.707 6.949 -5.799) 11.265 11.013 ( 8.128 3.345 -0.843) 8.830 11.241 ( -7.007 8.806 -3.136) 11.682 11.520 ( 2.816 -3.375 7.153) 8.395 11.837 ( 10.643 -3.770 4.586) 12.187 12.123 ( -3.195 2.235 -2.399) 4.578 12.253 ( -5.053 -0.567 -8.398) 9.817 13.135 ( 7.475 -0.788 6.644) 10.032 14.047 ( -6.549 5.572 -3.830) 9.414 14.141 ( -2.700 -9.775 7.762) 12.771 14.807 ( -6.966 0.076 8.836) 11.252 15.043 ( 1.991 -2.221 -0.709) 3.066 15.224 ( -3.241 -0.112 -1.756) 3.688 15.457 ( -1.546 0.605 13.200) 13.304 16.196 ( -0.793 -8.034 -13.877) 16.054 16.586 ( 1.877 -0.591 -2.469) 3.157 16.702 ( 0.292 -1.455 -5.649) 5.841 17.335 ( 16.150 16.801 6.746) 24.261 17.902 ( 0.532 -11.004 2.503) 11.298 18.500 ( 8.749 -9.518 6.186) 14.332 18.694 ( -6.402 2.534 -4.317) 8.127 18.786 ( -13.118 -9.667 -7.253) 17.837 19.079 ( -13.773 6.886 -13.295) 20.344 20.159 ( 8.478 6.890 3.793) 11.565 20.330 ( -2.840 -3.690 4.413) 6.416 21.146 ( 13.720 7.795 2.738) 16.016 21.911 ( -1.422 11.507 -13.714) 17.959 22.831 ( -0.414 0.752 6.406) 6.463 22.994 ( -4.416 0.381 2.850) 5.270 23.067 ( 3.498 -1.279 -4.002) 5.467 23.220 ( -0.693 2.276 -4.061) 4.707 ======================= Grid point 146 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -2.371 12.540 18.413) 22.404 1.429 ( -4.941 16.006 15.913) 23.105 1.746 ( -11.670 1.863 -3.295) 12.269 2.029 ( 4.633 -0.358 -7.681) 8.978 2.149 ( 0.391 5.324 -3.033) 6.140 2.348 ( -0.185 6.800 -4.325) 8.061 2.625 ( -1.541 -1.790 10.612) 10.872 2.718 ( 2.819 4.767 5.719) 7.961 3.010 ( -17.481 -1.937 13.244) 22.017 3.074 ( 9.078 5.436 -9.824) 14.439 3.330 ( 9.371 3.392 -1.768) 10.122 3.741 ( -0.104 0.622 -4.552) 4.595 4.033 ( 5.043 -2.054 2.872) 6.156 4.164 ( -2.835 -4.775 -1.311) 5.706 4.437 ( -5.049 9.604 0.635) 10.869 4.536 ( 10.412 -0.444 -1.682) 10.556 4.669 ( -2.433 1.081 -4.999) 5.663 4.768 ( 1.263 6.008 -7.958) 10.051 5.114 ( 1.156 0.281 1.121) 1.635 5.184 ( 5.694 -2.225 1.966) 6.422 5.262 ( 3.857 0.515 5.298) 6.573 5.659 ( -6.170 -5.711 -12.015) 14.664 6.359 ( 2.354 4.810 7.195) 8.969 6.535 ( 1.050 -1.199 10.986) 11.101 6.687 ( -6.041 6.811 -0.675) 9.130 6.829 ( -0.521 -1.704 -0.582) 1.875 6.969 ( 1.712 0.690 -3.624) 4.067 7.099 ( -0.987 0.204 -6.094) 6.177 7.240 ( 5.572 -10.601 2.871) 12.316 7.382 ( -5.665 -5.561 3.958) 8.870 7.741 ( -0.542 -6.551 1.428) 6.727 7.819 ( -6.548 -9.157 -6.523) 13.011 8.030 ( 11.832 -4.978 3.984) 13.440 8.085 ( -6.001 3.188 -5.288) 8.610 8.404 ( 3.423 1.767 -4.315) 5.785 8.618 ( -5.660 -4.882 -7.189) 10.371 8.795 ( -7.275 4.682 5.812) 10.423 8.863 ( 3.591 7.840 1.043) 8.686 9.037 ( 4.507 -5.328 7.322) 10.115 9.229 ( 4.883 4.547 1.343) 6.806 9.330 ( -5.140 -0.748 3.309) 6.159 9.548 ( -2.798 -4.634 -0.333) 5.424 9.634 ( -13.453 -7.637 5.667) 16.475 9.774 ( 9.849 -3.650 1.092) 10.560 9.886 ( -1.343 -2.539 4.709) 5.516 10.071 ( -10.243 7.857 -4.170) 13.566 10.113 ( -4.546 1.225 0.764) 4.770 10.272 ( 14.891 -3.305 -4.993) 16.050 10.870 ( -10.952 12.310 2.918) 16.733 11.065 ( 2.043 4.406 -6.250) 7.915 11.684 ( 5.094 -5.488 5.740) 9.435 11.960 ( -7.785 2.571 -3.410) 8.880 12.069 ( 13.917 4.112 -3.309) 14.884 12.141 ( -6.188 -0.908 -2.451) 6.717 13.289 ( 8.232 -0.431 6.678) 10.609 13.816 ( -6.155 1.779 -18.888) 19.945 14.401 ( 2.296 -7.164 17.704) 19.236 14.832 ( 0.705 -5.264 10.158) 11.463 15.040 ( -1.764 0.145 -4.104) 4.469 15.207 ( -1.540 -4.167 -1.695) 4.755 15.617 ( -1.492 -14.413 16.694) 22.106 16.206 ( -2.682 -5.160 -8.137) 10.001 16.609 ( 1.816 -0.816 -2.775) 3.416 16.678 ( -0.819 0.176 -4.764) 4.837 17.366 ( 14.467 14.409 11.547) 23.458 17.907 ( -18.772 7.420 -11.910) 23.437 18.353 ( -11.390 10.107 -1.587) 15.310 18.540 ( -5.861 1.948 -2.376) 6.618 18.775 ( 0.169 -5.459 2.827) 6.150 19.095 ( 10.200 -12.191 -8.783) 18.160 20.208 ( -3.662 -2.803 7.783) 9.047 20.372 ( -2.097 -7.771 0.342) 8.056 21.196 ( 7.074 10.574 4.098) 13.366 21.644 ( 14.423 20.350 -19.146) 31.444 22.843 ( -1.570 0.581 6.176) 6.399 22.941 ( -2.575 2.412 2.984) 4.621 23.109 ( 3.650 -0.335 -2.047) 4.198 23.164 ( -0.671 0.958 -3.952) 4.122 ======================= Grid point 149 (73/114) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -1.258 0.000 -7.736) 7.838 1.424 ( 19.002 -0.000 9.037) 21.041 1.836 ( 3.088 -0.000 8.902) 9.423 2.215 ( 9.570 -0.000 -16.729) 19.273 2.367 ( -4.158 0.000 17.485) 17.973 2.411 ( -1.891 0.000 -8.962) 9.159 2.524 ( 1.457 -0.000 0.074) 1.459 2.712 ( 8.703 -0.000 4.767) 9.924 3.155 ( 5.306 -0.000 1.666) 5.561 3.398 ( 2.273 -0.000 -6.612) 6.992 3.566 ( -15.886 0.000 14.831) 21.733 3.816 ( 5.822 -0.000 -4.134) 7.141 3.988 ( 6.765 -0.000 -4.148) 7.935 4.118 ( 1.078 -0.000 -1.422) 1.784 4.336 ( 7.641 -0.000 -9.909) 12.513 4.687 ( 11.096 -0.000 3.603) 11.667 4.966 ( 13.396 -0.000 -9.217) 16.261 5.185 ( 19.827 -0.000 0.485) 19.833 5.286 ( 9.060 -0.000 8.971) 12.750 5.339 ( -2.967 0.000 -5.507) 6.255 5.557 ( 4.091 -0.000 -10.747) 11.499 5.682 ( 7.793 -0.000 -3.537) 8.558 6.118 ( -13.860 0.000 -3.574) 14.314 6.290 ( -3.382 0.000 7.270) 8.018 6.488 ( -5.664 0.000 1.959) 5.993 6.659 ( -10.414 0.000 -0.297) 10.418 6.713 ( -10.999 0.000 -4.648) 11.941 6.830 ( -0.138 0.000 10.189) 10.190 7.105 ( -4.013 0.000 -2.601) 4.782 7.178 ( -17.068 0.000 -4.329) 17.608 7.503 ( -8.161 0.000 15.146) 17.205 7.598 ( -11.780 0.000 9.311) 15.015 7.775 ( -5.216 0.000 2.996) 6.015 7.994 ( -1.272 0.000 -8.479) 8.574 8.412 ( -11.637 0.000 -0.922) 11.674 8.619 ( -4.641 0.000 0.178) 4.645 8.703 ( -8.785 0.000 -0.085) 8.786 8.856 ( 21.913 -0.000 -6.269) 22.792 8.894 ( -1.495 0.000 -1.570) 2.168 9.021 ( 5.384 -0.000 -0.041) 5.385 9.340 ( -2.402 0.000 -0.683) 2.497 9.391 ( -9.654 0.000 6.984) 11.915 9.610 ( -2.173 0.000 9.580) 9.823 9.720 ( -6.633 0.000 1.345) 6.768 9.951 ( 4.454 -0.000 -0.638) 4.499 9.955 ( 2.799 -0.000 -1.989) 3.434 10.445 ( 11.458 -0.000 1.268) 11.528 10.515 ( -4.264 0.000 -5.711) 7.127 10.802 ( 4.846 -0.000 7.739) 9.131 11.110 ( 0.135 -0.000 0.568) 0.584 11.678 ( -8.441 0.000 2.553) 8.819 11.788 ( 6.636 -0.000 2.490) 7.088 12.221 ( 1.666 -0.000 7.948) 8.121 12.406 ( 6.081 -0.000 -6.845) 9.156 12.912 ( -11.923 0.000 -13.695) 18.158 13.586 ( -2.396 0.000 13.480) 13.691 14.272 ( 2.687 -0.000 -9.986) 10.341 14.922 ( 0.852 -0.000 -7.007) 7.058 15.376 ( 4.954 -0.000 13.944) 14.798 15.476 ( -1.829 0.000 8.620) 8.812 15.694 ( -11.054 0.000 11.478) 15.935 16.167 ( -3.621 0.000 -15.795) 16.204 16.560 ( 1.055 -0.000 -5.197) 5.303 16.612 ( 4.170 -0.000 -4.019) 5.792 16.730 ( 1.346 -0.000 0.973) 1.661 18.256 ( -2.748 0.000 -1.410) 3.089 18.276 ( -17.378 0.000 -3.052) 17.644 18.785 ( 0.153 -0.000 1.225) 1.235 18.967 ( -4.880 0.000 1.528) 5.114 19.335 ( 4.785 -0.000 -19.554) 20.131 19.547 ( 26.853 -0.000 32.381) 42.067 20.636 ( -4.239 0.000 7.816) 8.891 20.890 ( 2.057 -0.000 -6.293) 6.621 22.009 ( 11.066 -0.000 -13.723) 17.629 22.907 ( 1.529 -0.000 -0.954) 1.802 22.935 ( -4.016 0.000 5.154) 6.534 23.002 ( -1.127 0.000 -5.921) 6.028 23.306 ( 3.808 -0.000 0.055) 3.808 ======================= Grid point 150 (74/114) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 2.146 -6.448 -0.056) 6.796 1.744 ( 17.366 -2.780 6.923) 18.901 1.845 ( -3.732 1.190 5.551) 6.794 2.175 ( -1.727 2.401 -11.336) 11.715 2.319 ( 6.954 6.247 -5.439) 10.815 2.434 ( 1.025 -0.637 8.578) 8.663 2.619 ( 6.938 -3.449 -0.110) 7.749 2.865 ( 7.063 -3.370 2.537) 8.227 3.138 ( -0.290 6.788 -2.216) 7.147 3.351 ( -13.664 2.798 6.688) 15.468 3.413 ( -5.053 -0.259 -0.910) 5.140 3.805 ( 2.165 4.703 -4.247) 6.697 3.992 ( 6.914 7.480 -6.312) 11.983 4.211 ( 7.652 -5.354 1.085) 9.402 4.435 ( 13.715 -0.103 -3.929) 14.267 4.840 ( 1.764 -1.598 3.072) 3.887 5.046 ( 9.750 4.656 -4.992) 11.902 5.239 ( 4.281 0.353 -5.484) 6.966 5.376 ( 10.949 5.831 -1.729) 12.525 5.501 ( 10.034 -2.054 8.359) 13.220 5.633 ( 4.747 -3.818 -7.078) 9.338 5.807 ( 6.074 -3.852 -1.645) 7.378 5.868 ( -4.105 4.656 -9.323) 11.200 6.324 ( -8.412 -0.089 2.831) 8.876 6.334 ( -5.549 -2.643 3.556) 7.101 6.571 ( -11.568 -3.280 -0.421) 12.031 6.649 ( -6.416 -6.019 1.618) 8.945 6.809 ( -6.806 5.530 1.753) 8.943 7.004 ( -2.778 -5.910 5.921) 8.815 7.099 ( -1.623 -0.035 -0.998) 1.906 7.412 ( -12.597 2.884 9.530) 16.056 7.628 ( -7.355 -12.263 12.362) 18.902 7.687 ( -4.157 4.103 1.101) 5.943 8.002 ( -0.858 -5.126 -6.090) 8.006 8.264 ( -11.591 -4.182 -4.430) 13.094 8.574 ( -9.068 0.344 -2.471) 9.405 8.602 ( -1.118 -1.214 2.692) 3.158 8.886 ( -0.654 -1.382 0.004) 1.529 9.058 ( 10.241 3.449 -2.709) 11.140 9.083 ( 7.882 2.787 -4.593) 9.538 9.197 ( -3.298 3.686 4.170) 6.469 9.331 ( -9.858 -3.769 2.611) 10.872 9.606 ( -0.774 0.973 2.189) 2.517 9.707 ( -4.980 -2.875 0.556) 5.777 9.925 ( -1.455 -0.537 -0.074) 1.553 10.099 ( 4.397 -7.128 -0.223) 8.378 10.447 ( 4.682 5.162 -1.693) 7.172 10.607 ( 8.329 -2.394 -0.823) 8.706 10.896 ( 4.513 2.271 7.883) 9.363 11.113 ( 2.751 0.470 1.018) 2.971 11.561 ( -6.514 3.746 3.241) 8.183 11.859 ( -1.701 -1.721 4.412) 5.032 12.230 ( -0.535 2.020 -2.413) 3.192 12.417 ( 3.285 1.251 -9.350) 9.988 12.812 ( -2.471 -3.197 3.451) 5.313 13.642 ( -4.201 -2.565 16.141) 16.875 14.307 ( 3.904 -5.674 -9.761) 11.946 14.909 ( 0.442 -2.066 -7.032) 7.343 15.340 ( -5.472 12.622 2.511) 13.984 15.491 ( 0.786 3.643 11.482) 12.072 15.632 ( -3.881 1.200 11.614) 12.304 16.073 ( -6.914 -4.690 -17.993) 19.838 16.545 ( 1.611 -0.086 -3.697) 4.034 16.637 ( 0.111 -0.676 -3.370) 3.439 16.793 ( 9.230 -4.736 -2.102) 10.585 17.956 ( -17.166 2.112 -7.862) 18.999 18.298 ( -5.254 -7.892 3.231) 10.016 18.711 ( 2.040 11.435 -2.496) 11.880 18.947 ( -2.006 -0.924 -1.498) 2.669 19.349 ( 6.337 -4.627 -13.487) 15.603 20.025 ( 19.460 3.082 32.949) 38.390 20.567 ( -2.772 7.273 7.092) 10.530 20.920 ( 2.564 -4.350 -5.123) 7.193 22.089 ( 7.009 -3.782 -12.120) 14.503 22.872 ( -3.142 2.347 4.045) 5.634 22.953 ( 0.276 -2.706 -2.342) 3.590 22.967 ( -1.209 -0.900 -2.566) 2.976 23.338 ( 2.013 0.433 -1.383) 2.480 ======================= Grid point 151 (75/114) ======================= q-point: ( 0.50 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 3.680 -11.756 7.454) 14.398 1.769 ( -3.612 0.951 3.203) 4.920 1.970 ( -0.012 0.130 3.367) 3.369 2.106 ( 11.715 5.448 -1.555) 13.013 2.294 ( 4.452 5.844 -1.798) 7.564 2.533 ( 7.587 -0.679 3.971) 8.590 2.700 ( 0.279 1.965 -0.551) 2.060 2.903 ( -3.397 3.097 -3.931) 6.048 3.090 ( 8.788 -1.767 -1.738) 9.130 3.179 ( -11.946 2.697 11.915) 17.087 3.341 ( -3.474 3.406 -6.459) 8.087 3.739 ( -0.180 1.495 -4.984) 5.206 3.927 ( 6.738 7.015 -7.765) 12.446 4.382 ( 7.191 -1.198 -1.799) 7.509 4.613 ( 16.436 2.753 -0.632) 16.677 4.783 ( -7.781 2.240 5.990) 10.072 5.013 ( 5.207 7.883 -4.310) 10.384 5.266 ( 5.631 1.748 -8.403) 10.266 5.403 ( -4.252 7.734 6.066) 10.709 5.447 ( 2.183 11.168 0.795) 11.407 5.658 ( -3.879 2.543 -2.775) 5.405 5.809 ( 11.005 -7.944 -4.013) 14.153 6.099 ( 9.738 -5.715 1.863) 11.444 6.180 ( -12.506 -0.842 -8.359) 15.066 6.319 ( -7.252 2.917 9.408) 12.232 6.484 ( 3.733 -5.055 -0.048) 6.284 6.676 ( -4.948 -4.900 6.890) 9.796 6.837 ( -6.690 -15.435 -1.951) 16.935 7.100 ( 5.122 -1.002 -0.877) 5.292 7.142 ( -0.004 -7.056 5.794) 9.130 7.292 ( -8.363 -0.151 5.256) 9.878 7.592 ( 0.305 4.452 -2.765) 5.250 7.794 ( -8.151 -14.383 8.364) 18.528 7.977 ( -8.896 -1.236 0.844) 9.021 8.222 ( -3.459 -7.089 -5.882) 9.840 8.474 ( -5.221 -4.189 -5.005) 8.358 8.659 ( 0.420 -4.459 5.028) 6.733 8.884 ( -3.619 -1.119 4.665) 6.010 9.013 ( 0.220 2.733 3.786) 4.675 9.089 ( 4.535 4.001 -6.012) 8.528 9.247 ( -0.991 -1.016 1.804) 2.295 9.327 ( 1.828 -4.530 -2.595) 5.531 9.549 ( -1.929 0.897 -6.339) 6.686 9.687 ( -3.987 -0.790 3.830) 5.585 9.934 ( -3.990 -3.731 2.136) 5.865 10.210 ( 1.643 -2.913 -1.969) 3.881 10.425 ( 6.711 8.273 -0.266) 10.657 10.700 ( 3.835 2.127 -2.360) 4.981 10.940 ( 6.697 3.191 5.547) 9.263 11.213 ( 7.293 -2.672 3.401) 8.479 11.489 ( -0.272 2.038 5.418) 5.795 11.821 ( -9.826 0.076 3.708) 10.503 12.167 ( -2.686 0.287 -3.492) 4.415 12.360 ( 1.719 2.589 -11.408) 11.824 12.921 ( 4.672 -2.213 12.058) 13.120 13.730 ( -5.819 -5.214 19.083) 20.621 14.375 ( 1.246 -4.284 -10.995) 11.865 14.900 ( -0.559 -0.681 -4.541) 4.625 15.075 ( -6.922 7.994 -6.107) 12.211 15.451 ( -2.381 8.964 9.616) 13.360 15.633 ( -3.205 3.560 13.027) 13.880 15.949 ( -2.878 -4.337 -18.195) 18.925 16.577 ( 1.599 -3.429 -3.330) 5.040 16.610 ( 0.189 0.897 -3.961) 4.065 17.081 ( 14.644 -14.272 -3.407) 20.730 17.723 ( -12.285 -1.405 -6.734) 14.080 18.380 ( -6.031 -9.329 5.823) 12.542 18.536 ( 4.176 14.348 -2.212) 15.106 18.899 ( -3.388 1.169 -3.221) 4.819 19.402 ( 1.467 -1.916 -11.108) 11.367 20.274 ( 9.006 6.904 21.415) 24.235 20.480 ( 0.912 8.397 7.610) 11.369 21.029 ( 5.916 -5.453 0.059) 8.046 22.129 ( 1.768 -2.201 -11.536) 11.877 22.831 ( -3.363 1.028 5.809) 6.790 22.966 ( 1.257 -1.453 -3.146) 3.686 22.986 ( -0.134 -2.421 -0.673) 2.516 23.328 ( 0.296 1.065 -3.416) 3.590 ======================= Grid point 152 (76/114) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -1.339 -5.141 0.942) 5.396 1.757 ( 2.589 1.027 2.533) 3.764 1.930 ( -1.385 3.427 5.820) 6.895 2.142 ( 2.731 9.446 6.064) 11.552 2.252 ( 6.539 4.196 -2.729) 8.235 2.554 ( -2.610 5.810 3.698) 7.365 2.726 ( 3.164 -4.573 5.043) 7.507 2.826 ( 0.868 1.795 -7.951) 8.198 3.085 ( -12.054 -1.202 11.924) 16.998 3.135 ( -4.303 6.001 -7.838) 10.769 3.279 ( 11.294 -0.486 -1.771) 11.443 3.715 ( 3.875 0.004 -9.279) 10.056 3.911 ( 7.057 2.666 -2.386) 7.912 4.302 ( -9.115 5.231 -4.761) 11.538 4.664 ( 3.605 5.825 4.093) 7.980 4.817 ( 10.283 7.409 7.807) 14.886 4.947 ( 6.833 7.375 -4.471) 11.003 5.157 ( -7.055 9.722 0.731) 12.034 5.270 ( 4.537 2.127 -8.360) 9.746 5.370 ( -2.450 9.308 2.501) 9.945 5.467 ( -6.327 9.686 1.253) 11.637 5.828 ( -11.880 5.945 -8.379) 15.706 6.122 ( 9.556 -9.597 2.388) 13.752 6.230 ( 4.051 -2.468 9.376) 10.507 6.491 ( 4.116 -12.052 3.275) 13.150 6.656 ( 6.991 -7.229 0.359) 10.063 6.738 ( -4.786 -7.767 4.067) 9.988 6.920 ( -6.519 -8.619 0.435) 10.815 7.125 ( -4.310 0.114 -0.178) 4.316 7.282 ( 0.552 -3.444 -1.981) 4.011 7.324 ( 2.422 -12.390 -1.164) 12.678 7.557 ( 3.759 1.420 -0.990) 4.139 7.777 ( -17.929 -9.499 -11.041) 23.100 8.000 ( 3.796 -2.957 14.395) 15.179 8.298 ( 3.273 -6.085 -5.095) 8.585 8.492 ( -6.916 -9.036 -1.830) 11.525 8.783 ( 2.285 -5.172 5.120) 7.627 8.936 ( -1.953 -3.925 11.052) 11.890 8.967 ( -2.470 1.591 -0.091) 2.940 9.054 ( 0.820 1.307 -5.564) 5.774 9.276 ( 3.990 -3.098 -2.758) 5.755 9.356 ( -2.582 -1.641 -2.053) 3.685 9.565 ( 6.699 -1.505 -1.152) 6.962 9.644 ( -8.738 -1.406 2.790) 9.280 9.947 ( -1.710 -1.453 2.712) 3.520 10.204 ( 0.935 2.508 -5.016) 5.685 10.359 ( 3.630 10.584 1.462) 11.284 10.592 ( -2.337 9.359 -3.818) 10.374 11.061 ( 8.891 0.292 4.066) 9.781 11.341 ( 2.977 -2.247 0.594) 3.777 11.554 ( 1.316 3.033 7.827) 8.496 11.712 ( -3.193 -2.465 6.303) 7.483 12.116 ( -6.169 -2.140 -1.038) 6.612 12.272 ( 1.433 2.725 -13.747) 14.088 13.096 ( 8.878 -0.542 12.443) 15.295 13.853 ( -6.430 -7.922 20.001) 22.454 14.258 ( -6.899 6.205 -12.671) 15.705 14.865 ( -0.181 2.412 0.109) 2.421 14.952 ( -2.467 -3.139 -5.806) 7.046 15.322 ( -3.496 7.079 4.566) 9.120 15.583 ( -4.500 5.119 10.498) 12.516 15.951 ( 2.593 -7.815 -17.120) 18.997 16.584 ( 0.759 0.407 -3.674) 3.773 16.629 ( 1.924 -3.217 -4.125) 5.574 17.470 ( 14.472 -14.504 -2.839) 20.685 17.627 ( -4.578 -3.662 -1.544) 6.062 18.421 ( 1.849 0.341 -2.066) 2.793 18.473 ( -3.214 -2.437 8.461) 9.373 18.796 ( -4.395 3.756 -3.481) 6.748 19.269 ( -8.046 5.352 -12.477) 15.782 20.345 ( 3.936 5.438 9.306) 11.474 20.414 ( 0.888 8.479 6.636) 10.803 21.213 ( 10.194 -2.884 6.093) 12.221 22.064 ( -1.999 1.360 -12.849) 13.075 22.825 ( -2.678 -0.556 6.506) 7.057 22.992 ( -0.776 -0.883 3.390) 3.588 23.020 ( 3.783 -1.850 -5.292) 6.763 23.282 ( -0.788 1.666 -4.865) 5.202 ======================= Grid point 153 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -2.428 9.984 3.002) 10.704 1.755 ( -6.642 1.874 -5.231) 8.660 1.857 ( 0.381 10.322 9.195) 13.829 2.060 ( 0.979 3.167 -0.488) 3.350 2.324 ( 11.798 5.237 0.521) 12.919 2.478 ( -7.478 -0.257 2.460) 7.877 2.686 ( -7.678 6.433 -3.085) 10.481 2.796 ( -6.058 0.133 10.704) 12.300 3.010 ( 0.051 3.421 2.603) 4.300 3.073 ( -1.568 -5.722 -0.979) 6.013 3.419 ( 11.801 1.148 -1.739) 11.984 3.728 ( 7.373 0.265 -12.061) 14.139 3.990 ( 4.820 -0.726 3.770) 6.162 4.102 ( -8.944 0.958 -1.426) 9.108 4.619 ( -0.410 6.039 2.167) 6.430 4.793 ( 5.175 14.371 7.001) 16.802 4.815 ( -9.305 9.821 -3.450) 13.962 4.983 ( 3.377 7.648 -1.036) 8.424 5.173 ( -1.975 3.804 -6.224) 7.557 5.291 ( 8.871 6.099 -3.596) 11.350 5.345 ( 1.707 5.498 3.467) 6.720 5.620 ( -3.159 3.740 -7.455) 8.919 6.361 ( 5.899 -3.844 10.317) 12.491 6.425 ( 6.110 -7.365 6.202) 11.404 6.678 ( -7.060 -7.592 0.979) 10.414 6.776 ( -1.379 -2.892 2.014) 3.784 6.813 ( -0.093 -11.666 0.887) 11.700 7.034 ( 10.423 -3.928 2.278) 11.369 7.058 ( -5.256 -1.521 -3.491) 6.490 7.237 ( -7.385 -1.215 -2.599) 7.923 7.461 ( -11.193 -14.200 -6.287) 19.142 7.616 ( 2.282 -2.890 -6.019) 7.057 7.784 ( 4.249 -11.063 3.590) 12.382 8.162 ( 5.875 0.758 9.046) 10.813 8.379 ( 3.454 -4.840 -10.092) 11.714 8.478 ( -10.346 -5.991 -5.401) 13.119 8.813 ( -9.814 0.193 10.408) 14.307 8.961 ( 6.007 -1.125 0.890) 6.176 9.020 ( 1.135 0.089 0.637) 1.305 9.119 ( 1.858 -9.689 1.485) 9.977 9.347 ( 0.074 -0.684 1.462) 1.615 9.389 ( 4.360 -4.166 0.717) 6.073 9.521 ( -13.806 -0.881 2.455) 14.050 9.700 ( 8.524 -2.171 -1.122) 8.867 9.931 ( -3.682 3.256 4.670) 6.780 10.181 ( 7.875 0.020 -6.973) 10.518 10.244 ( -0.839 9.174 1.988) 9.425 10.382 ( -2.377 11.293 -4.605) 12.425 11.145 ( 2.713 1.612 2.874) 4.268 11.226 ( -11.792 9.769 -0.758) 15.332 11.566 ( 2.392 -1.972 11.499) 11.909 11.908 ( 4.753 -5.631 4.513) 8.641 12.063 ( -7.153 -4.001 -2.573) 8.590 12.187 ( 7.960 3.749 -13.969) 16.509 13.281 ( 9.698 0.452 10.259) 14.125 13.887 ( -9.481 0.764 -18.860) 21.123 14.115 ( -4.296 -5.193 28.345) 29.135 14.830 ( -1.690 4.165 8.842) 9.919 14.984 ( 1.295 -5.578 -6.689) 8.806 15.229 ( -0.970 3.782 -2.305) 4.534 15.512 ( -3.713 3.015 8.355) 9.628 16.009 ( 3.081 -7.730 -16.658) 18.621 16.583 ( 1.403 -0.710 -2.767) 3.183 16.664 ( 1.708 -1.413 -4.167) 4.720 17.669 ( 0.011 -2.518 3.762) 4.527 17.769 ( 8.371 -7.407 0.178) 11.179 18.477 ( -10.527 -5.418 3.125) 12.245 18.555 ( 11.818 -7.060 0.980) 13.801 18.617 ( -10.739 7.276 -3.271) 13.378 18.996 ( -4.351 6.789 -11.708) 14.215 20.309 ( -4.407 5.168 5.414) 8.685 20.343 ( 1.625 6.399 2.929) 7.223 21.388 ( 6.695 2.068 8.274) 10.843 21.938 ( 3.135 3.365 -16.761) 17.381 22.836 ( -3.148 -0.945 6.109) 6.937 23.002 ( 0.028 1.127 3.295) 3.482 23.078 ( 4.890 -1.605 -3.490) 6.218 23.214 ( -1.149 1.990 -5.314) 5.789 ======================= Grid point 154 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -0.188 9.453 12.442) 15.627 1.520 ( -13.427 7.480 2.907) 15.642 1.777 ( 4.457 10.263 4.145) 11.932 2.079 ( 6.520 0.760 -5.419) 8.512 2.211 ( -8.707 9.018 -4.549) 13.335 2.419 ( 4.415 4.583 -0.777) 6.411 2.587 ( -3.898 -1.937 4.387) 6.180 2.764 ( -8.732 -1.057 10.538) 13.727 2.996 ( 1.529 3.770 6.252) 7.459 3.131 ( 2.349 -2.116 -4.416) 5.431 3.530 ( 11.573 2.182 -1.271) 11.845 3.736 ( 3.499 0.230 -9.182) 9.829 4.007 ( -7.773 -0.671 0.781) 7.841 4.077 ( 1.221 -3.150 -2.444) 4.170 4.514 ( 0.325 5.689 3.685) 6.786 4.583 ( -8.398 2.561 -2.700) 9.186 4.727 ( 7.092 8.889 3.333) 11.850 4.917 ( 5.651 7.812 -4.212) 10.521 5.086 ( -0.487 4.236 -2.664) 5.027 5.330 ( 10.940 2.885 -7.160) 13.389 5.360 ( 4.823 1.394 4.121) 6.495 5.565 ( 7.026 2.011 -5.072) 8.896 6.466 ( -4.931 1.595 4.912) 7.140 6.508 ( -6.653 -2.529 6.192) 9.434 6.713 ( -4.613 -4.556 0.995) 6.560 6.719 ( 1.382 0.557 -0.152) 1.498 6.971 ( -3.852 0.721 -6.851) 7.893 7.048 ( 5.918 -3.481 2.688) 7.374 7.164 ( -10.029 -9.082 1.694) 13.635 7.253 ( 6.866 -6.336 3.140) 9.856 7.475 ( -11.787 -12.882 -1.401) 17.517 7.692 ( 3.104 -6.320 -1.464) 7.191 8.008 ( 0.805 -3.218 2.170) 3.964 8.199 ( 6.136 0.828 -0.842) 6.248 8.386 ( -6.177 -3.398 -7.552) 10.331 8.423 ( 2.092 -1.100 -4.325) 4.929 8.725 ( -10.321 -0.265 6.555) 12.229 9.020 ( 2.583 1.535 2.873) 4.157 9.118 ( 6.431 1.133 5.856) 8.771 9.210 ( -2.563 -3.415 -5.450) 6.924 9.322 ( -15.911 -0.901 6.675) 17.278 9.402 ( -1.969 -3.704 3.462) 5.439 9.515 ( 7.198 -0.666 1.328) 7.350 9.731 ( -5.360 -0.326 -0.995) 5.461 9.956 ( 7.469 -1.529 6.006) 9.706 10.057 ( -7.997 8.536 -2.286) 11.918 10.197 ( 1.803 8.260 0.871) 8.499 10.369 ( 15.238 -6.810 -8.569) 18.761 10.910 ( -11.945 10.707 3.683) 16.458 11.124 ( -1.963 4.234 2.113) 5.123 11.709 ( 1.157 -4.705 8.700) 9.958 11.890 ( -3.574 3.963 -6.652) 8.528 11.989 ( -6.094 -2.718 -3.018) 7.323 12.300 ( 15.456 1.374 -5.224) 16.373 13.423 ( 6.096 1.277 9.080) 11.011 13.625 ( -9.451 0.746 -19.342) 21.540 14.406 ( 0.751 -10.923 26.209) 28.403 14.809 ( -2.869 1.609 12.233) 12.667 15.052 ( 4.400 -4.510 -8.124) 10.281 15.156 ( 1.958 2.442 -6.164) 6.913 15.529 ( -4.729 -4.387 11.982) 13.608 16.078 ( 5.114 -7.170 -13.316) 15.965 16.601 ( 1.393 -0.927 -2.481) 2.992 16.663 ( 0.786 0.892 -3.362) 3.566 17.565 ( -18.381 10.295 0.000) 21.068 17.913 ( 10.372 2.047 2.574) 10.881 18.377 ( -8.600 -4.248 -1.428) 9.698 18.452 ( -0.378 3.022 6.368) 7.059 18.765 ( 4.644 1.755 0.344) 4.976 18.994 ( 10.461 -11.900 -8.702) 18.077 20.144 ( -13.324 6.453 4.495) 15.472 20.328 ( 1.492 -0.557 2.153) 2.678 21.323 ( -6.866 8.806 0.090) 11.167 21.933 ( 17.215 4.428 -15.894) 23.845 22.837 ( -3.212 -0.585 5.652) 6.527 23.001 ( 1.316 2.571 3.015) 4.175 23.142 ( 4.374 -0.743 -3.145) 5.439 23.145 ( -0.690 1.441 -4.153) 4.449 ======================= Grid point 158 (79/114) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 1.674 -0.000 9.692) 9.835 1.815 ( -7.688 0.000 10.042) 12.647 1.951 ( 8.454 -0.000 3.645) 9.207 2.134 ( 12.360 -0.000 -21.081) 24.437 2.465 ( 10.609 -0.000 -7.168) 12.803 2.482 ( -0.576 0.000 13.390) 13.402 2.686 ( 4.353 -0.000 6.990) 8.234 2.946 ( 8.188 -0.000 -0.467) 8.202 3.063 ( -16.208 0.000 3.214) 16.524 3.321 ( 0.787 -0.000 -9.205) 9.239 3.348 ( -3.244 0.000 5.573) 6.448 3.788 ( -4.186 0.000 -8.252) 9.253 4.162 ( 6.866 -0.000 -4.600) 8.265 4.214 ( 7.020 -0.000 -1.562) 7.192 4.636 ( 17.861 -0.000 1.975) 17.970 4.816 ( -7.431 0.000 3.444) 8.190 5.125 ( -5.021 0.000 -5.356) 7.341 5.230 ( 13.823 -0.000 -8.128) 16.035 5.554 ( 3.356 -0.000 8.130) 8.796 5.624 ( 2.093 -0.000 -5.766) 6.134 5.756 ( 15.721 -0.000 1.927) 15.838 5.857 ( 7.813 -0.000 -6.210) 9.980 5.881 ( 8.763 -0.000 -5.725) 10.467 6.163 ( -6.719 0.000 -4.084) 7.863 6.266 ( -8.585 0.000 11.183) 14.098 6.292 ( -10.668 0.000 -7.255) 12.902 6.689 ( -5.360 0.000 8.887) 10.378 6.741 ( -9.770 0.000 3.582) 10.406 6.967 ( 2.780 -0.000 6.625) 7.184 7.093 ( 1.419 -0.000 -1.285) 1.914 7.317 ( -13.058 0.000 4.677) 13.870 7.487 ( -5.870 0.000 9.046) 10.784 7.756 ( 1.156 -0.000 7.152) 7.245 7.917 ( 1.992 -0.000 -9.484) 9.691 8.054 ( -12.952 0.000 2.731) 13.237 8.441 ( -7.966 0.000 -6.880) 10.525 8.597 ( -1.659 0.000 5.201) 5.459 8.861 ( -1.491 0.000 -0.156) 1.499 9.122 ( -5.078 0.000 -2.135) 5.508 9.133 ( -12.698 0.000 10.381) 16.401 9.187 ( 3.517 -0.000 -9.881) 10.489 9.253 ( 9.222 -0.000 -2.225) 9.487 9.579 ( -2.539 0.000 -8.070) 8.459 9.614 ( -4.867 0.000 5.514) 7.354 9.952 ( -0.847 0.000 4.028) 4.116 10.100 ( 6.953 -0.000 -1.075) 7.036 10.577 ( 10.434 -0.000 -3.310) 10.946 10.682 ( 5.695 -0.000 1.032) 5.787 11.008 ( 2.268 -0.000 8.495) 8.793 11.146 ( 3.228 -0.000 1.444) 3.536 11.537 ( -4.608 0.000 6.040) 7.597 11.819 ( -7.580 0.000 6.604) 10.054 12.167 ( -2.468 0.000 -12.563) 12.803 12.415 ( 2.248 -0.000 -9.926) 10.177 12.904 ( 7.755 -0.000 18.872) 20.404 13.654 ( -4.975 0.000 17.037) 17.749 14.273 ( 4.725 -0.000 -8.566) 9.783 14.857 ( 0.716 -0.000 -9.274) 9.302 15.286 ( -14.561 0.000 -7.223) 16.254 15.633 ( -5.996 0.000 17.072) 18.095 15.644 ( 2.153 -0.000 13.358) 13.530 15.865 ( -1.795 0.000 -21.903) 21.976 16.569 ( 5.302 -0.000 -7.729) 9.372 16.618 ( 1.054 -0.000 -4.371) 4.496 16.819 ( 5.502 -0.000 -0.985) 5.589 17.655 ( -18.598 0.000 -9.981) 21.107 18.253 ( -0.703 0.000 6.605) 6.642 18.863 ( 5.672 -0.000 0.600) 5.704 18.873 ( -3.323 0.000 -9.478) 10.044 19.332 ( 6.604 -0.000 -8.865) 11.054 20.404 ( 6.742 -0.000 23.842) 24.777 20.668 ( 2.004 -0.000 18.511) 18.619 20.872 ( 1.867 -0.000 -6.248) 6.521 22.079 ( 6.220 -0.000 -13.813) 15.149 22.858 ( -5.609 0.000 4.709) 7.324 22.934 ( 0.277 -0.000 1.989) 2.008 22.945 ( 2.734 -0.000 -6.027) 6.618 23.342 ( -0.025 0.000 -2.959) 2.959 ======================= Grid point 159 (80/114) ======================= q-point: ( 0.50 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -1.505 -7.700 11.498) 13.919 1.790 ( -1.012 2.586 11.904) 12.223 2.005 ( 4.723 -0.598 -4.972) 6.884 2.249 ( 11.756 -0.610 -7.792) 14.117 2.464 ( 3.466 7.761 2.779) 8.942 2.588 ( 0.934 -3.166 7.376) 8.080 2.757 ( -2.939 3.092 6.982) 8.182 2.864 ( -5.548 2.166 -1.023) 6.043 3.054 ( 3.140 -1.704 -0.646) 3.631 3.260 ( 2.672 3.650 -6.305) 7.760 3.335 ( 0.387 2.396 0.485) 2.475 3.685 ( -1.761 -0.946 -9.336) 9.548 4.073 ( 1.663 8.128 -5.385) 9.891 4.337 ( -3.374 -5.103 -6.508) 8.932 4.723 ( -4.867 1.684 8.129) 9.623 4.885 ( 16.535 -0.454 2.674) 16.756 5.075 ( -0.123 -1.078 -1.902) 2.190 5.285 ( 5.264 3.537 -9.993) 11.835 5.483 ( -2.362 7.940 -1.288) 8.383 5.647 ( 1.745 5.640 2.418) 6.380 5.801 ( 1.843 6.514 -0.593) 6.796 5.882 ( 11.131 0.961 -0.939) 11.212 5.967 ( -7.206 2.760 -8.190) 11.252 6.091 ( 0.991 -3.672 1.223) 3.995 6.276 ( -0.416 -10.422 0.022) 10.430 6.379 ( 0.153 -10.721 8.434) 13.642 6.536 ( -10.184 -0.081 5.323) 11.491 6.799 ( 8.877 2.646 5.639) 10.844 7.063 ( -1.017 -4.719 3.337) 5.869 7.135 ( 3.372 -3.096 -1.023) 4.691 7.206 ( -6.543 -1.215 2.528) 7.119 7.463 ( -11.972 -7.462 -4.645) 14.852 7.697 ( -1.544 8.048 1.756) 8.380 7.978 ( 4.918 -2.591 4.783) 7.333 8.052 ( -1.746 -7.864 4.488) 9.221 8.331 ( -4.673 -2.268 -4.981) 7.196 8.623 ( -2.182 -3.598 6.067) 7.383 8.858 ( -0.542 -1.135 3.050) 3.299 9.010 ( -10.032 -2.687 -6.721) 12.371 9.059 ( -4.074 1.208 9.692) 10.583 9.170 ( -1.267 -1.722 -9.993) 10.219 9.326 ( 3.218 -0.477 -3.802) 5.004 9.545 ( 5.243 0.079 -5.392) 7.521 9.580 ( -7.851 -2.292 2.311) 8.499 9.969 ( 2.669 2.082 5.145) 6.159 10.191 ( 3.585 -2.209 -2.480) 4.887 10.630 ( 7.371 6.849 -1.009) 10.113 10.739 ( 1.154 0.438 -1.632) 2.046 11.055 ( 1.407 -0.068 6.897) 7.039 11.239 ( 4.802 -3.464 1.334) 6.069 11.549 ( 1.124 -0.559 8.333) 8.427 11.737 ( -10.478 1.302 9.232) 14.025 12.071 ( -3.719 -0.648 -9.836) 10.536 12.364 ( 2.304 2.401 -11.867) 12.325 13.134 ( 11.857 2.077 21.577) 24.708 13.705 ( -5.156 -2.521 18.429) 19.302 14.305 ( 2.758 -1.761 -7.934) 8.582 14.815 ( -2.652 -2.932 -12.346) 12.964 15.010 ( -11.029 4.637 -7.391) 14.063 15.564 ( -5.507 6.801 1.379) 8.859 15.671 ( -7.271 -0.255 10.092) 12.441 15.826 ( 5.767 -0.274 -6.738) 8.873 16.576 ( 4.423 1.340 -4.959) 6.779 16.607 ( 2.059 0.558 -6.008) 6.376 17.015 ( 10.370 -14.345 -3.074) 17.966 17.435 ( -13.448 -4.895 -8.839) 16.821 18.299 ( -0.957 -1.910 7.026) 7.344 18.719 ( -1.964 6.161 -8.668) 10.815 18.911 ( 3.822 4.354 2.065) 6.151 19.352 ( 0.613 0.509 -8.098) 8.137 20.473 ( -1.635 2.426 10.720) 11.112 20.704 ( 2.258 11.415 10.878) 15.929 21.019 ( 5.765 -9.781 10.153) 15.231 22.067 ( 2.831 -0.300 -14.852) 15.122 22.815 ( -4.621 -0.109 4.994) 6.804 22.960 ( -0.189 -0.988 4.588) 4.697 22.972 ( 5.182 -1.008 -6.329) 8.242 23.308 ( -1.419 0.317 -4.768) 4.985 ======================= Grid point 160 (81/114) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -7.028 -9.420 7.409) 13.893 1.839 ( 3.722 2.514 5.301) 6.948 2.060 ( 8.186 3.073 -0.230) 8.746 2.318 ( -2.125 10.133 -4.949) 11.476 2.337 ( 2.518 2.006 5.218) 6.131 2.596 ( -9.052 5.348 6.581) 12.403 2.689 ( -1.609 -6.463 4.472) 8.022 2.845 ( 0.570 2.640 -0.181) 2.707 3.016 ( -3.823 5.081 2.473) 6.822 3.167 ( 0.650 6.142 -9.904) 11.672 3.402 ( 9.525 -1.535 1.175) 9.719 3.705 ( 7.242 -2.914 -11.062) 13.539 3.982 ( -1.683 1.077 -0.429) 2.044 4.178 ( -14.865 1.955 -3.337) 15.359 4.731 ( 0.610 2.294 6.588) 7.003 5.058 ( 1.496 3.155 -1.313) 3.731 5.066 ( 6.299 2.964 -4.180) 8.120 5.195 ( -0.728 6.014 0.561) 6.084 5.354 ( 4.323 8.905 -5.318) 11.236 5.519 ( -1.879 9.590 3.507) 10.383 5.629 ( -3.559 14.884 -3.320) 15.660 5.767 ( -1.828 3.313 -3.803) 5.365 6.108 ( 9.054 -9.403 1.348) 13.123 6.177 ( -4.163 -11.368 -0.557) 12.119 6.464 ( 0.024 -8.300 6.416) 10.491 6.537 ( -4.538 -12.642 1.134) 13.479 6.587 ( 8.093 -0.890 11.815) 14.349 6.921 ( 10.344 0.034 2.302) 10.597 7.062 ( -6.165 -1.662 2.135) 6.733 7.141 ( -8.625 -2.764 -3.619) 9.753 7.268 ( 3.396 -1.235 -3.512) 5.039 7.386 ( -6.281 -11.496 -10.427) 16.744 7.636 ( 1.859 1.579 5.396) 5.922 8.126 ( 7.477 -6.713 -5.029) 11.237 8.187 ( 3.577 -2.823 7.936) 9.151 8.332 ( -2.938 -3.634 1.870) 5.033 8.722 ( -3.294 -7.259 7.843) 11.183 8.863 ( -10.641 -2.844 2.558) 11.308 8.940 ( 3.712 -3.230 -1.942) 5.290 9.051 ( -0.433 0.207 -2.779) 2.820 9.177 ( 0.502 -7.058 -3.029) 7.697 9.330 ( 0.820 -0.406 -2.513) 2.675 9.496 ( -10.996 -1.413 2.322) 11.327 9.639 ( 8.819 -1.776 -1.727) 9.160 10.009 ( 3.915 2.372 3.668) 5.866 10.203 ( 0.708 0.551 -5.739) 5.809 10.566 ( 1.296 9.775 1.289) 9.944 10.657 ( -2.042 7.011 -2.926) 7.867 11.126 ( -1.344 -2.537 6.319) 6.940 11.328 ( 1.552 -1.408 -2.505) 3.266 11.618 ( -6.321 3.388 13.617) 15.390 11.710 ( 4.107 -6.237 8.718) 11.479 11.978 ( -5.777 -1.139 -6.845) 9.029 12.294 ( 5.169 3.500 -13.390) 14.773 13.353 ( 12.583 4.577 17.891) 22.347 13.791 ( -4.147 -3.776 15.175) 16.178 14.206 ( -7.489 5.910 -6.298) 11.431 14.761 ( -4.582 -9.472 -10.946) 15.183 14.916 ( 2.479 0.846 -0.385) 2.648 15.377 ( -4.528 6.511 -5.360) 9.572 15.623 ( -7.328 2.609 11.226) 13.658 15.869 ( 6.379 -0.244 -7.872) 10.135 16.577 ( 1.501 0.371 -4.958) 5.193 16.620 ( 4.856 -0.639 -4.490) 6.644 17.359 ( -10.567 -10.866 -4.547) 15.824 17.394 ( 13.067 -18.861 -5.693) 23.641 18.351 ( -0.638 -1.659 5.967) 6.226 18.589 ( 0.010 3.566 -5.915) 6.907 18.862 ( -0.231 9.629 6.253) 11.483 19.210 ( -5.769 6.340 -9.382) 12.708 20.464 ( -2.128 3.688 7.719) 8.816 20.592 ( -0.193 10.762 4.960) 11.852 21.296 ( 6.512 -7.878 12.809) 16.387 21.988 ( -0.072 1.387 -16.096) 16.156 22.802 ( -3.678 -1.266 4.947) 6.293 23.000 ( 0.882 -0.915 2.898) 3.165 23.033 ( 5.682 -1.259 -2.961) 6.529 23.251 ( -1.777 0.546 -5.886) 6.172 ======================= Grid point 161 (82/114) ======================= q-point: (-0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -6.319 -2.873 5.909) 9.116 1.758 ( -6.371 7.821 -3.839) 10.794 2.100 ( 8.946 8.549 4.625) 13.211 2.127 ( -1.420 4.965 0.185) 5.167 2.371 ( -5.531 0.541 0.769) 5.610 2.478 ( -5.657 1.873 8.754) 10.590 2.656 ( -7.277 6.264 -2.952) 10.045 2.836 ( -0.991 -0.045 8.534) 8.592 2.956 ( 0.885 -1.958 0.228) 2.160 3.065 ( 2.899 3.210 -8.558) 9.589 3.546 ( 7.702 -0.945 -0.015) 7.760 3.750 ( 5.169 0.076 -12.865) 13.864 3.962 ( -10.222 -2.167 3.796) 11.118 4.018 ( -0.327 -0.978 -0.859) 1.342 4.705 ( -1.240 6.054 5.643) 8.369 4.801 ( -12.144 11.115 -3.440) 16.818 5.017 ( -8.334 5.346 1.285) 9.984 5.136 ( 8.107 9.007 -1.890) 12.264 5.289 ( 7.567 8.559 2.206) 11.635 5.414 ( 4.596 6.048 -12.296) 14.453 5.504 ( 8.363 5.529 5.015) 11.210 5.704 ( 4.823 5.225 -4.454) 8.390 6.254 ( -9.677 -13.246 -2.367) 16.574 6.346 ( 0.355 -8.409 2.814) 8.875 6.559 ( -7.030 -10.596 2.013) 12.875 6.728 ( 5.997 -5.014 3.920) 8.745 6.757 ( 9.827 -0.462 11.108) 14.839 6.977 ( -10.713 0.455 -2.697) 11.057 7.053 ( -6.956 -6.467 0.563) 9.514 7.094 ( 5.849 -7.270 -1.426) 9.439 7.243 ( 3.749 3.462 -1.010) 5.202 7.497 ( 3.649 -8.595 -9.052) 13.004 7.767 ( 3.501 -7.987 9.964) 13.241 8.194 ( -2.268 -3.145 -13.848) 14.381 8.332 ( 1.901 -1.455 2.562) 3.506 8.378 ( 9.928 -2.364 3.456) 10.774 8.689 ( -13.677 -2.681 6.741) 15.482 8.876 ( -4.440 -5.711 1.901) 7.479 9.063 ( 5.480 -5.082 -0.524) 7.492 9.094 ( 1.655 -4.228 2.804) 5.336 9.260 ( 1.451 -3.187 -2.772) 4.466 9.360 ( -7.830 -2.341 1.123) 8.249 9.409 ( 0.799 -3.904 2.468) 4.687 9.765 ( 6.182 -1.121 0.022) 6.283 9.999 ( 0.662 4.478 1.276) 4.703 10.197 ( 4.186 -1.459 -5.885) 7.368 10.400 ( -2.702 11.498 -0.844) 11.841 10.498 ( -1.137 9.992 -0.502) 10.069 11.103 ( -10.367 0.869 3.200) 10.884 11.258 ( -4.776 5.114 2.366) 7.387 11.619 ( -3.065 -0.856 12.799) 13.189 11.879 ( -2.642 -2.357 -0.773) 3.624 11.924 ( 2.574 -4.158 -2.401) 5.448 12.295 ( 12.246 0.181 -11.129) 16.549 13.504 ( 8.534 4.844 13.403) 16.611 13.709 ( -9.185 4.917 -16.843) 19.805 14.150 ( -2.530 -4.702 27.161) 27.680 14.825 ( -0.701 -8.364 -7.941) 11.555 14.968 ( 4.944 1.925 6.062) 8.056 15.239 ( -1.616 2.529 -6.866) 7.494 15.537 ( -6.618 3.444 7.845) 10.826 15.915 ( 6.979 -2.236 -11.225) 13.405 16.573 ( 1.764 -0.646 -4.293) 4.686 16.668 ( 4.714 -0.281 -4.231) 6.341 17.408 ( -10.692 -14.899 -0.768) 18.354 17.754 ( 9.247 -14.185 -6.206) 18.034 18.350 ( -5.845 1.924 1.472) 6.327 18.608 ( 5.951 -1.169 -1.625) 6.279 18.694 ( -3.380 8.308 8.607) 12.431 19.025 ( 0.167 6.831 -5.736) 8.921 20.351 ( -7.973 8.033 5.933) 12.779 20.479 ( -0.003 8.175 3.005) 8.710 21.469 ( -1.536 0.115 6.747) 6.921 21.921 ( 6.416 -2.309 -14.642) 16.151 22.804 ( -3.476 -1.650 4.435) 5.871 23.037 ( 1.428 -0.023 2.263) 2.676 23.110 ( 5.602 -1.106 -1.595) 5.928 23.188 ( -1.329 0.943 -6.141) 6.353 ======================= Grid point 162 (83/114) ======================= q-point: (-0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -1.662 5.917 0.411) 6.160 1.605 ( -2.469 1.687 8.740) 9.237 2.015 ( -3.024 13.391 5.034) 14.622 2.113 ( -2.083 1.064 -2.271) 3.260 2.175 ( -4.507 4.137 -3.657) 7.128 2.454 ( -7.959 2.462 6.903) 10.819 2.537 ( -2.427 -2.691 5.832) 6.866 2.846 ( 6.247 7.009 4.387) 10.363 3.029 ( 1.401 -1.812 -10.838) 11.077 3.061 ( 1.898 -5.748 0.823) 6.109 3.574 ( -5.529 -0.098 3.857) 6.743 3.747 ( 6.702 -0.762 -12.496) 14.200 3.888 ( -8.905 -1.036 3.294) 9.551 4.083 ( 8.028 -1.150 -5.555) 9.830 4.506 ( -10.369 5.485 -3.493) 12.239 4.627 ( 0.345 5.035 4.455) 6.732 4.853 ( -5.480 4.913 3.298) 8.065 5.080 ( 4.268 7.945 -4.716) 10.178 5.293 ( 10.166 8.346 1.668) 13.258 5.390 ( 10.726 5.205 -6.811) 13.731 5.615 ( 13.428 3.358 5.038) 14.730 5.686 ( 7.000 3.839 -5.824) 9.882 6.239 ( -13.848 -8.483 -3.596) 16.633 6.374 ( -11.149 -4.812 0.784) 12.168 6.637 ( -1.723 -5.933 0.885) 6.241 6.737 ( -15.152 -0.299 -2.569) 15.372 6.847 ( 7.649 0.920 3.011) 8.271 7.026 ( -1.837 -6.903 -2.434) 7.547 7.081 ( 3.267 -5.521 5.847) 8.680 7.156 ( -2.493 -1.892 2.627) 4.086 7.364 ( 7.101 -2.468 4.815) 8.928 7.639 ( 5.239 -6.724 0.205) 8.526 7.991 ( 1.599 -8.836 7.316) 11.583 8.083 ( -2.531 -0.192 -13.265) 13.505 8.345 ( 3.216 -0.710 -4.624) 5.677 8.544 ( 5.864 4.487 8.735) 11.438 8.615 ( -7.198 -2.545 4.555) 8.890 8.931 ( -4.528 -9.944 -0.372) 10.933 9.113 ( -2.454 -0.910 -1.811) 3.183 9.186 ( -4.881 0.374 3.817) 6.207 9.225 ( -6.579 -3.839 1.569) 7.777 9.328 ( 3.197 -0.292 -1.964) 3.764 9.577 ( 6.261 -5.440 -1.050) 8.361 9.758 ( 1.425 5.017 2.388) 5.736 10.032 ( 2.285 -0.844 3.040) 3.896 10.109 ( -3.765 9.480 0.448) 10.210 10.326 ( 3.058 4.119 0.573) 5.162 10.390 ( 5.521 -0.789 -5.930) 8.141 10.914 ( -9.198 6.313 1.630) 11.274 11.134 ( -8.690 4.092 4.828) 10.751 11.624 ( -7.957 -3.125 2.694) 8.963 11.879 ( -0.187 -1.575 0.859) 1.804 11.970 ( 5.570 1.947 -1.923) 6.206 12.437 ( 11.491 -1.541 -7.895) 14.027 13.422 ( -9.638 2.468 -17.106) 19.789 13.588 ( 3.920 4.227 13.110) 14.322 14.427 ( 2.788 -9.170 27.213) 28.852 14.837 ( -1.998 -0.519 -6.543) 6.861 15.041 ( 4.500 0.260 6.619) 8.008 15.179 ( 1.860 0.661 -8.709) 8.929 15.481 ( -6.240 -0.962 9.288) 11.230 16.004 ( 9.178 -5.003 -11.317) 15.406 16.590 ( 1.817 -1.342 -3.400) 4.082 16.688 ( 3.502 1.810 -4.118) 5.700 17.400 ( -14.695 -2.342 -1.519) 14.958 17.929 ( -0.370 -7.835 -8.730) 11.736 18.210 ( -5.633 0.243 5.173) 7.652 18.576 ( 2.447 3.554 8.263) 9.322 18.926 ( 15.212 -7.974 2.560) 17.365 18.946 ( 3.782 2.742 -2.419) 5.261 20.120 ( -13.296 10.127 4.998) 17.445 20.382 ( -1.171 5.426 2.248) 5.988 21.328 ( -7.411 7.451 -5.450) 11.838 22.047 ( 11.472 -3.759 -8.705) 14.884 22.809 ( -3.069 -1.654 4.312) 5.545 23.058 ( 0.892 1.177 2.821) 3.184 23.123 ( -0.371 1.414 -6.898) 7.052 23.184 ( 4.868 -0.754 -1.307) 5.096 ======================= Grid point 167 (84/114) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -5.996 0.000 9.765) 11.459 1.938 ( 3.277 -0.000 19.453) 19.727 1.998 ( 7.309 -0.000 -17.807) 19.248 2.362 ( 9.383 -0.000 0.188) 9.385 2.524 ( -5.038 0.000 10.994) 12.093 2.594 ( -2.835 0.000 -1.181) 3.071 2.704 ( -13.965 0.000 6.444) 15.380 2.882 ( 1.918 -0.000 6.244) 6.532 3.103 ( 6.520 -0.000 -7.905) 10.247 3.267 ( 2.610 -0.000 -9.359) 9.716 3.392 ( 3.001 -0.000 4.597) 5.490 3.626 ( 4.001 -0.000 -9.264) 10.091 4.039 ( -11.006 0.000 -5.284) 12.209 4.155 ( -10.633 0.000 -6.878) 12.663 4.813 ( 7.271 -0.000 11.319) 13.453 5.072 ( 10.014 -0.000 -0.576) 10.030 5.088 ( 6.100 -0.000 0.869) 6.161 5.289 ( -2.279 0.000 -8.123) 8.437 5.506 ( -0.124 0.000 -7.336) 7.337 5.593 ( -10.272 0.000 -10.843) 14.936 5.771 ( -1.100 0.000 8.547) 8.617 6.008 ( -2.288 0.000 -1.274) 2.619 6.086 ( -8.119 0.000 6.012) 10.103 6.088 ( -3.739 0.000 3.323) 5.002 6.129 ( 4.338 -0.000 0.380) 4.354 6.178 ( 1.532 -0.000 -1.857) 2.408 6.684 ( 12.305 -0.000 12.111) 17.266 6.987 ( 11.215 -0.000 5.686) 12.574 7.014 ( -3.160 0.000 -4.003) 5.099 7.113 ( 1.683 -0.000 -4.011) 4.350 7.146 ( -0.659 0.000 0.955) 1.160 7.273 ( -5.414 0.000 -3.114) 6.245 7.774 ( -5.213 0.000 4.703) 7.021 7.880 ( 3.073 -0.000 -8.532) 9.068 8.175 ( 5.516 -0.000 10.172) 11.572 8.304 ( 6.276 -0.000 9.729) 11.577 8.575 ( -4.227 0.000 3.697) 5.616 8.801 ( -11.424 0.000 -9.403) 14.796 8.882 ( 2.831 -0.000 3.396) 4.421 9.046 ( -3.850 0.000 -14.358) 14.865 9.074 ( -2.214 0.000 9.786) 10.033 9.339 ( 1.804 -0.000 -3.046) 3.540 9.471 ( -8.850 0.000 1.312) 8.947 9.611 ( 8.598 -0.000 -4.083) 9.518 10.048 ( 2.960 -0.000 4.759) 5.604 10.202 ( 1.965 -0.000 -3.323) 3.860 10.701 ( -4.746 0.000 0.564) 4.780 10.772 ( 5.181 -0.000 -3.307) 6.146 11.067 ( -2.941 0.000 7.181) 7.760 11.287 ( 6.237 -0.000 -2.594) 6.755 11.592 ( -0.597 0.000 9.788) 9.806 11.692 ( -8.901 0.000 15.407) 17.794 11.973 ( -2.792 0.000 -9.480) 9.883 12.351 ( 3.852 -0.000 -13.156) 13.708 13.456 ( 14.723 -0.000 24.814) 28.853 13.730 ( -3.940 0.000 18.263) 18.683 14.305 ( 3.805 -0.000 -5.610) 6.779 14.576 ( -14.899 0.000 -21.926) 26.509 14.927 ( -1.532 0.000 -2.107) 2.605 15.485 ( -3.058 0.000 -18.224) 18.479 15.649 ( -8.146 0.000 16.934) 18.792 15.919 ( 4.288 -0.000 5.896) 7.291 16.597 ( 2.084 -0.000 -6.666) 6.985 16.647 ( 7.494 -0.000 -9.469) 12.075 16.992 ( 7.999 -0.000 2.087) 8.267 17.215 ( -6.986 0.000 -11.721) 13.645 18.332 ( 1.366 -0.000 7.203) 7.332 18.643 ( -4.199 0.000 -10.246) 11.073 19.033 ( 2.863 -0.000 5.778) 6.448 19.307 ( -4.222 0.000 -7.212) 8.357 20.504 ( -2.734 0.000 9.693) 10.071 20.854 ( 2.649 -0.000 -6.838) 7.333 21.072 ( 1.205 -0.000 27.759) 27.786 22.015 ( 2.162 -0.000 -17.387) 17.521 22.779 ( -4.403 0.000 4.207) 6.090 22.980 ( 2.003 -0.000 0.843) 2.173 23.015 ( 5.427 -0.000 -0.683) 5.470 23.256 ( -2.261 0.000 -5.871) 6.291 ======================= Grid point 168 (85/114) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -4.658 -6.041 9.592) 12.255 1.910 ( -2.356 4.298 -6.666) 8.274 2.101 ( 2.271 -6.623 -3.411) 7.788 2.380 ( -11.244 9.677 -2.777) 15.092 2.458 ( 6.548 4.063 8.540) 11.503 2.538 ( -12.805 1.675 4.345) 13.626 2.616 ( -0.810 -4.754 13.531) 14.365 2.885 ( -2.763 4.571 2.266) 5.802 3.110 ( 7.041 3.765 -8.869) 11.933 3.204 ( -0.323 4.800 -8.140) 9.455 3.491 ( 6.699 -1.324 4.253) 8.045 3.679 ( 2.897 -4.682 -6.995) 8.902 3.889 ( -9.744 -1.528 0.015) 9.863 4.004 ( -7.007 -0.931 -2.121) 7.380 4.904 ( 7.138 8.672 6.573) 13.013 5.063 ( -5.061 6.501 -4.912) 9.592 5.140 ( 0.640 4.003 -4.648) 6.167 5.232 ( 1.363 -1.511 -7.486) 7.758 5.429 ( 0.327 -0.432 6.449) 6.472 5.546 ( -3.176 -5.436 -7.670) 9.923 5.718 ( -5.922 6.821 3.978) 9.870 5.786 ( -6.351 6.482 1.768) 9.246 5.972 ( -8.287 -1.095 -1.658) 8.522 6.129 ( -0.494 -5.246 -0.982) 5.360 6.204 ( -3.467 -11.532 1.725) 12.165 6.411 ( 4.668 -10.933 5.196) 12.974 6.873 ( 10.611 0.845 11.321) 15.539 6.930 ( -1.171 2.548 -8.132) 8.602 7.091 ( 3.080 4.133 1.882) 5.488 7.137 ( 9.987 3.912 -2.221) 10.953 7.224 ( 6.142 -4.170 -0.824) 7.469 7.296 ( 6.937 -2.357 -1.084) 7.406 7.690 ( -2.167 2.585 3.893) 5.151 7.974 ( 3.723 -9.645 -9.485) 14.031 8.267 ( 0.841 -2.658 8.324) 8.779 8.444 ( 7.801 6.761 6.833) 12.379 8.575 ( -10.824 -3.289 0.755) 11.337 8.707 ( 2.188 -8.662 0.799) 8.969 8.919 ( -1.683 -0.885 -4.326) 4.726 9.000 ( 3.724 -4.564 -4.421) 7.365 9.126 ( 0.923 -2.484 6.607) 7.118 9.334 ( -0.742 1.001 -0.381) 1.303 9.368 ( -7.394 -0.771 0.376) 7.444 9.713 ( 8.097 -1.464 -1.836) 8.430 10.098 ( 2.845 1.453 1.099) 3.378 10.176 ( -1.813 0.006 -4.036) 4.425 10.608 ( -5.607 3.165 -0.852) 6.494 10.743 ( -1.156 5.057 -1.032) 5.289 11.070 ( -5.826 -1.378 6.459) 8.807 11.322 ( 1.443 0.630 -4.185) 4.471 11.642 ( -5.282 -0.091 11.594) 12.741 11.716 ( 0.316 -4.664 12.689) 13.523 11.895 ( -1.450 0.974 -5.515) 5.785 12.328 ( 6.048 1.130 -13.515) 14.850 13.691 ( 8.113 7.253 18.425) 21.399 13.822 ( 2.836 0.132 12.235) 12.560 14.148 ( -11.136 5.475 -6.750) 14.126 14.474 ( -1.816 -13.739 -10.454) 17.359 14.952 ( 3.482 -1.501 2.282) 4.425 15.343 ( -1.409 3.087 -14.522) 14.913 15.618 ( -8.518 1.466 13.618) 16.130 15.968 ( 4.484 3.429 2.211) 6.062 16.578 ( 2.098 0.891 -6.862) 7.230 16.676 ( 6.717 0.715 -6.868) 9.634 17.081 ( -5.785 -4.141 -6.022) 9.321 17.278 ( 11.282 -15.251 -4.686) 19.541 18.394 ( 2.108 0.953 6.365) 6.772 18.560 ( 0.094 -0.650 -6.407) 6.440 19.007 ( -5.649 8.430 5.692) 11.635 19.162 ( -6.774 1.688 -5.205) 8.708 20.514 ( -2.346 2.322 8.497) 9.115 20.760 ( 0.779 10.576 -0.932) 10.646 21.297 ( 0.467 -9.477 19.066) 21.296 21.918 ( 0.292 1.263 -19.470) 19.513 22.756 ( -3.933 -1.243 3.438) 5.370 23.017 ( 2.725 -0.746 -0.401) 2.854 23.091 ( 5.567 -0.272 1.401) 5.747 23.196 ( -1.934 -0.103 -6.193) 6.488 ======================= Grid point 169 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -2.430 -6.478 9.050) 11.392 1.700 ( -12.099 4.697 -5.151) 13.964 2.125 ( -5.864 3.087 -2.731) 7.167 2.176 ( -5.278 -4.861 -4.262) 8.345 2.366 ( -10.931 3.499 0.322) 11.482 2.507 ( 2.345 5.013 13.521) 14.610 2.671 ( -7.368 9.716 1.087) 12.242 2.789 ( 2.645 -2.991 8.167) 9.091 3.071 ( -3.161 3.361 -8.089) 9.313 3.108 ( 9.858 4.869 -6.400) 12.722 3.573 ( -2.905 -0.919 2.223) 3.772 3.700 ( 1.500 -2.680 -5.742) 6.511 3.824 ( -7.220 -2.213 4.199) 8.641 4.050 ( 8.557 -2.527 -2.431) 9.247 4.775 ( -13.320 12.192 -2.352) 18.210 4.841 ( -0.433 9.571 0.358) 9.587 4.979 ( -7.355 4.531 1.880) 8.841 5.199 ( -0.748 0.836 -8.928) 8.998 5.485 ( 3.531 5.376 -4.880) 8.074 5.518 ( -3.242 -2.075 9.738) 10.472 5.631 ( 1.229 2.636 -3.421) 4.490 5.768 ( 7.113 -0.253 1.577) 7.290 5.932 ( -8.874 -10.953 -2.101) 14.252 6.164 ( -9.508 -10.183 -2.252) 14.112 6.390 ( 2.463 -11.652 1.398) 11.992 6.619 ( 1.931 -8.750 6.214) 10.905 6.809 ( -0.242 6.722 -8.768) 11.051 7.026 ( 3.157 0.792 4.134) 5.262 7.112 ( 6.640 -0.653 -8.801) 11.044 7.167 ( 11.041 9.622 10.836) 18.218 7.327 ( 5.479 -1.023 2.729) 6.206 7.481 ( 13.965 -3.195 -0.266) 14.329 7.725 ( 0.799 -5.519 5.011) 7.497 8.081 ( 3.056 -4.227 -12.176) 13.246 8.343 ( 2.336 -0.486 2.280) 3.300 8.455 ( -1.916 -5.075 -0.335) 5.435 8.532 ( -3.072 -3.946 4.410) 6.668 8.830 ( 2.231 1.790 2.326) 3.686 8.949 ( -3.539 -8.030 3.033) 9.285 9.089 ( 2.512 -1.368 -0.229) 2.869 9.209 ( -4.963 -2.625 0.310) 5.623 9.308 ( 3.065 -4.236 3.844) 6.490 9.376 ( 2.540 -2.450 0.340) 3.545 9.819 ( 4.508 -1.175 0.070) 4.659 10.032 ( -3.074 2.423 -2.297) 4.538 10.202 ( 3.366 -2.334 -2.612) 4.858 10.466 ( -3.431 6.364 -3.059) 7.850 10.615 ( -4.167 8.079 2.270) 9.369 10.999 ( -9.585 1.271 3.567) 10.306 11.262 ( -4.370 3.496 0.079) 5.597 11.592 ( -7.552 1.043 5.848) 9.608 11.841 ( 0.579 -0.925 0.842) 1.378 11.940 ( 6.064 -4.906 6.188) 9.956 12.348 ( 8.195 -2.250 -12.360) 15.000 13.596 ( -10.005 9.503 -19.177) 23.625 13.745 ( 1.966 6.471 14.569) 16.062 14.229 ( 4.582 -5.428 24.010) 25.039 14.623 ( 1.397 -12.497 -8.525) 15.192 15.066 ( 4.408 -2.914 6.031) 8.019 15.212 ( -1.338 4.203 -6.608) 7.945 15.539 ( -7.789 3.568 8.772) 12.261 15.988 ( 7.878 2.915 -3.558) 9.123 16.563 ( 2.087 -0.188 -5.947) 6.305 16.725 ( 7.469 0.459 -6.810) 10.118 17.062 ( -9.580 -10.706 -3.245) 14.729 17.626 ( 10.109 -14.404 -4.033) 18.053 18.374 ( -1.293 5.912 1.974) 6.365 18.658 ( 9.725 -6.460 -0.823) 11.704 18.753 ( -10.183 8.682 1.988) 13.528 19.080 ( -3.368 2.166 3.361) 5.228 20.420 ( -6.177 10.144 6.705) 13.638 20.607 ( -1.601 9.487 1.965) 9.820 21.452 ( -4.361 -0.998 4.022) 6.016 21.858 ( 4.463 -6.400 -13.322) 15.439 22.750 ( -3.578 -2.179 2.894) 5.092 23.061 ( 2.424 -0.725 0.005) 2.530 23.145 ( -0.856 0.067 -6.189) 6.248 23.169 ( 4.902 -0.128 1.057) 5.017 ======================= Grid point 170 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -12.797 -7.314 3.945) 15.258 1.653 ( 7.862 1.347 5.361) 9.611 2.001 ( -8.998 1.299 0.329) 9.098 2.130 ( -5.480 5.350 -6.497) 10.043 2.143 ( -8.284 2.260 4.069) 9.502 2.443 ( -6.247 5.130 3.705) 8.892 2.578 ( 1.143 0.002 9.759) 9.826 2.908 ( 4.308 -1.278 -0.010) 4.494 2.944 ( -6.278 -0.464 -7.062) 9.461 3.162 ( 12.864 3.695 -4.504) 14.121 3.497 ( -9.686 0.329 4.789) 10.810 3.741 ( 5.459 -0.979 -10.902) 12.231 3.798 ( -6.104 -1.689 6.905) 9.369 4.166 ( 9.168 0.932 -6.663) 11.372 4.430 ( -11.989 5.760 -3.532) 13.763 4.724 ( -0.215 6.326 3.422) 7.196 4.879 ( -3.191 2.967 4.345) 6.154 5.106 ( -2.188 2.320 -6.421) 7.169 5.438 ( -1.014 2.825 -4.682) 5.562 5.526 ( -6.479 -4.405 3.483) 8.574 5.646 ( 4.865 -3.042 -4.387) 7.223 5.836 ( 0.475 -1.060 -0.332) 1.208 6.027 ( 0.238 -4.949 4.568) 6.739 6.183 ( 0.143 -4.850 -4.149) 6.384 6.513 ( 1.182 -1.577 -4.221) 4.659 6.645 ( -3.564 6.769 -4.347) 8.799 6.805 ( -2.631 -10.915 8.261) 13.940 7.051 ( 5.675 3.456 -0.461) 6.660 7.116 ( 4.861 0.368 -4.492) 6.629 7.210 ( 2.596 5.331 6.576) 8.855 7.458 ( 5.127 -2.169 5.765) 8.014 7.658 ( 6.977 -0.186 -3.294) 7.717 7.904 ( 4.173 -7.578 3.513) 9.337 8.093 ( 7.101 -0.555 -0.255) 7.127 8.375 ( 4.749 0.291 -4.127) 6.298 8.499 ( -4.444 -2.978 6.340) 8.295 8.662 ( 1.809 -10.925 -1.977) 11.249 8.822 ( 1.997 5.169 4.153) 6.925 9.001 ( -6.281 -7.165 1.195) 9.603 9.079 ( -2.331 -0.176 -3.103) 3.885 9.155 ( -6.889 -0.453 4.391) 8.182 9.370 ( 0.577 2.358 -1.643) 2.932 9.551 ( 6.964 -8.878 -1.022) 11.329 9.821 ( 0.108 0.749 -1.387) 1.580 10.042 ( -0.048 -1.799 6.223) 6.478 10.186 ( -1.818 4.679 -0.940) 5.107 10.407 ( 7.427 0.060 -5.010) 8.959 10.449 ( -5.311 8.482 5.042) 11.206 10.874 ( -5.664 1.682 -0.255) 5.914 11.101 ( -10.011 6.441 0.694) 11.924 11.517 ( -5.658 -0.135 1.402) 5.830 11.892 ( 2.422 -1.527 5.751) 6.424 12.051 ( 3.649 0.969 -0.269) 3.785 12.454 ( 6.670 -4.874 -10.734) 13.545 13.271 ( -8.386 4.036 -14.852) 17.527 13.766 ( 0.381 4.795 16.288) 16.983 14.501 ( 4.844 -6.954 17.867) 19.775 14.728 ( 1.656 -4.796 -8.631) 10.012 15.107 ( -1.957 -1.856 -9.159) 9.548 15.181 ( 1.252 3.504 13.526) 14.029 15.445 ( -6.668 1.103 7.355) 9.989 16.066 ( 12.189 0.815 -5.978) 13.601 16.570 ( 1.805 -1.389 -4.755) 5.273 16.754 ( 6.063 2.788 -7.109) 9.750 17.101 ( -11.122 -14.271 -0.639) 18.105 17.808 ( 2.078 -1.190 -5.613) 6.103 18.241 ( -2.052 6.340 2.847) 7.246 18.659 ( 0.663 -0.365 3.221) 3.309 18.931 ( 11.814 -8.750 -1.449) 14.773 19.066 ( 1.517 -1.458 8.767) 9.016 20.166 ( -10.625 13.955 5.989) 18.533 20.462 ( -3.517 8.009 1.736) 8.917 21.294 ( -6.333 5.584 -10.633) 13.578 22.029 ( 6.446 -9.587 -4.727) 12.483 22.761 ( -2.804 -2.550 3.372) 5.073 23.091 ( 0.792 0.326 1.510) 1.736 23.100 ( 0.045 0.825 -6.343) 6.397 23.227 ( 3.873 -0.249 -0.974) 4.001 ======================= Grid point 176 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.322 -0.000 10.707) 10.712 1.811 ( -9.577 0.000 -20.518) 22.643 1.956 ( -10.975 0.000 3.934) 11.659 2.296 ( -10.830 0.000 -2.136) 11.038 2.330 ( -17.693 0.000 2.751) 17.906 2.645 ( 6.656 -0.000 10.628) 12.540 2.718 ( 5.788 -0.000 13.439) 14.633 2.891 ( -6.060 0.000 2.995) 6.759 3.131 ( -8.811 0.000 -11.146) 14.208 3.187 ( 10.953 -0.000 -16.531) 19.830 3.586 ( -5.690 0.000 1.283) 5.833 3.621 ( 6.239 -0.000 12.568) 14.032 3.789 ( -4.791 0.000 2.963) 5.633 3.960 ( 3.812 -0.000 -5.171) 6.424 5.026 ( -2.503 0.000 -6.686) 7.140 5.076 ( -4.578 0.000 -5.607) 7.239 5.122 ( -6.508 0.000 -4.745) 8.054 5.163 ( -1.241 0.000 -8.187) 8.280 5.410 ( -0.153 0.000 5.154) 5.156 5.469 ( 1.639 -0.000 8.763) 8.915 5.722 ( -11.047 0.000 1.032) 11.095 5.739 ( 1.702 -0.000 4.718) 5.015 5.810 ( -21.927 0.000 2.935) 22.123 5.914 ( -7.645 0.000 -7.239) 10.529 6.148 ( 3.053 -0.000 2.639) 4.035 6.515 ( 14.943 -0.000 2.295) 15.118 6.969 ( 2.872 -0.000 4.391) 5.247 7.004 ( 8.912 -0.000 -3.773) 9.678 7.104 ( 5.644 -0.000 -10.692) 12.090 7.326 ( 8.486 -0.000 -4.658) 9.680 7.349 ( 7.018 -0.000 3.455) 7.822 7.451 ( 21.214 -0.000 5.812) 21.996 7.693 ( -3.143 0.000 2.989) 4.338 7.919 ( 5.880 -0.000 -2.674) 6.459 8.301 ( -1.322 0.000 11.762) 11.836 8.407 ( -7.262 0.000 -9.117) 11.656 8.499 ( -2.266 0.000 -4.479) 5.019 8.831 ( 12.731 -0.000 12.347) 17.735 8.839 ( -1.881 0.000 -8.804) 9.002 9.020 ( 3.947 -0.000 3.249) 5.112 9.169 ( 2.244 -0.000 7.741) 8.060 9.265 ( -5.017 0.000 -0.575) 5.050 9.363 ( 2.318 -0.000 0.374) 2.348 9.783 ( 5.864 -0.000 -0.868) 5.928 10.090 ( -7.430 0.000 -2.817) 7.946 10.140 ( 1.981 -0.000 -2.378) 3.095 10.561 ( -4.010 0.000 -2.073) 4.514 10.712 ( -6.622 0.000 -0.826) 6.674 11.034 ( -5.663 0.000 7.265) 9.211 11.323 ( 0.803 -0.000 -6.263) 6.315 11.657 ( -1.285 0.000 9.963) 10.046 11.696 ( -3.614 0.000 5.586) 6.653 11.910 ( 1.520 -0.000 6.125) 6.310 12.327 ( 4.512 -0.000 -13.991) 14.701 13.817 ( -3.953 0.000 -7.331) 8.329 13.912 ( -15.334 0.000 -1.433) 15.401 14.080 ( 14.247 -0.000 13.795) 19.831 14.349 ( 2.000 -0.000 2.254) 3.013 15.012 ( 4.370 -0.000 7.298) 8.506 15.292 ( 0.380 -0.000 -10.035) 10.042 15.593 ( -8.679 0.000 13.027) 15.653 16.057 ( 3.960 -0.000 1.765) 4.336 16.576 ( 2.436 -0.000 -7.657) 8.036 16.683 ( 0.829 -0.000 -4.618) 4.692 17.026 ( 4.913 -0.000 -19.752) 20.354 17.289 ( 11.861 -0.000 7.889) 14.245 18.493 ( 4.721 -0.000 7.612) 8.957 18.528 ( 2.553 -0.000 -5.455) 6.022 18.959 ( -15.447 0.000 -5.626) 16.439 19.058 ( -6.552 0.000 7.088) 9.653 20.563 ( -1.083 0.000 8.339) 8.409 20.869 ( 4.369 -0.000 -6.985) 8.239 21.296 ( -5.353 0.000 24.436) 25.016 21.795 ( -2.469 0.000 -24.360) 24.485 22.713 ( -3.816 0.000 2.586) 4.609 23.045 ( 3.340 -0.000 -1.640) 3.721 23.141 ( -1.205 0.000 -5.680) 5.807 23.170 ( 5.070 -0.000 2.538) 5.670 ======================= Grid point 177 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -16.532 2.089 1.909) 16.772 1.587 ( -3.853 -6.071 -2.934) 7.766 1.916 ( -8.459 -8.043 -0.841) 11.703 2.091 ( -7.134 4.760 0.739) 8.608 2.230 ( -8.961 -2.502 0.246) 9.307 2.688 ( -0.883 6.574 12.376) 14.042 2.715 ( -9.935 9.261 2.824) 13.873 2.876 ( -0.073 -2.230 5.312) 5.762 2.937 ( -7.471 -1.133 -6.553) 10.002 3.235 ( 10.757 0.734 -12.784) 16.724 3.521 ( -5.422 1.575 4.232) 7.056 3.728 ( 4.964 1.247 -1.307) 5.283 3.779 ( -2.617 0.370 9.740) 10.093 4.068 ( 8.097 -6.648 -5.008) 11.612 4.719 ( -17.619 10.686 -9.686) 22.769 4.964 ( -4.077 4.314 -3.139) 6.714 5.011 ( -0.372 8.624 1.688) 8.796 5.114 ( -4.952 -3.141 -6.898) 9.054 5.323 ( -10.120 -0.780 6.405) 12.002 5.519 ( -11.704 3.636 1.385) 12.334 5.618 ( -9.531 -2.907 -1.800) 10.126 5.665 ( -1.390 -8.492 -1.932) 8.819 5.855 ( -5.723 -6.936 -0.222) 8.995 5.956 ( 16.239 -7.429 6.335) 18.948 6.289 ( 5.355 -8.374 4.898) 11.081 6.682 ( 9.850 1.193 -2.335) 10.193 6.954 ( 5.391 8.926 -4.184) 11.236 7.087 ( 3.511 -1.902 -6.537) 7.660 7.140 ( 9.316 1.872 -3.514) 10.131 7.350 ( 2.173 1.276 -3.727) 4.499 7.466 ( 9.700 2.966 5.204) 11.400 7.650 ( 4.817 1.648 3.946) 6.441 7.781 ( 15.011 -3.101 5.354) 16.237 8.012 ( 4.928 -3.310 -8.227) 10.145 8.347 ( 4.067 -2.214 -3.573) 5.849 8.378 ( -2.246 -5.132 10.768) 12.138 8.462 ( -1.388 -0.524 -1.877) 2.392 8.788 ( -3.313 -1.721 -2.892) 4.723 8.956 ( -2.458 -4.178 3.313) 5.872 9.081 ( 1.997 0.882 1.671) 2.749 9.200 ( 0.690 4.995 -0.086) 5.043 9.316 ( 7.002 -3.307 8.021) 11.149 9.414 ( 3.673 -0.231 2.642) 4.530 9.840 ( 1.450 -0.412 -1.078) 1.853 9.985 ( -5.367 -0.724 1.385) 5.590 10.154 ( -0.631 -3.714 -5.089) 6.331 10.488 ( -0.992 2.762 -3.300) 4.416 10.616 ( -5.751 1.521 -0.531) 5.973 10.972 ( -5.999 4.210 7.020) 10.148 11.249 ( -3.955 3.139 -5.505) 7.470 11.588 ( -2.884 5.851 4.306) 7.816 11.832 ( 3.290 -6.763 5.490) 9.311 11.991 ( 2.435 -2.327 10.661) 11.180 12.304 ( 2.328 -2.674 -14.726) 15.147 13.465 ( -13.534 7.424 -22.423) 27.223 13.889 ( -2.064 3.425 14.997) 15.521 14.302 ( 7.860 -7.036 -5.299) 11.806 14.488 ( 2.334 -7.912 12.608) 15.067 15.110 ( 2.533 1.485 6.606) 7.229 15.254 ( -0.673 1.505 5.768) 5.999 15.540 ( -6.799 2.546 9.394) 11.872 16.110 ( 8.252 1.425 -2.621) 8.775 16.559 ( 2.453 0.584 -6.874) 7.322 16.699 ( -1.193 -5.376 -3.355) 6.448 16.945 ( 4.070 4.906 -14.431) 15.776 17.602 ( 14.515 -10.136 7.058) 19.059 18.499 ( 4.498 6.088 1.990) 7.827 18.605 ( -5.001 -1.751 -6.466) 8.360 18.757 ( -0.498 -1.016 5.036) 5.162 19.017 ( -8.789 -2.631 6.397) 11.185 20.543 ( -2.303 7.103 7.439) 10.541 20.751 ( -1.033 13.928 -1.936) 14.100 21.379 ( -7.290 -1.560 3.479) 8.227 21.673 ( -1.923 -11.363 -16.880) 20.439 22.694 ( -2.957 -1.551 2.684) 4.284 23.081 ( 2.985 -0.493 -1.824) 3.532 23.105 ( -0.262 -0.217 -4.875) 4.887 23.235 ( 3.544 0.445 1.494) 3.872 ======================= Grid point 178 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -18.182 -9.710 3.715) 20.944 1.703 ( -4.084 -10.366 3.908) 11.807 1.909 ( -6.876 -4.766 -0.666) 8.393 2.045 ( 5.900 4.365 2.912) 7.895 2.146 ( -3.153 1.407 -0.021) 3.452 2.493 ( -4.699 7.763 2.971) 9.548 2.631 ( -5.389 2.995 11.400) 12.960 2.747 ( -12.227 -2.684 -6.453) 14.083 3.005 ( 3.158 -0.895 4.524) 5.590 3.293 ( 4.906 -1.396 -7.088) 8.733 3.425 ( -4.503 5.527 2.626) 7.598 3.743 ( 4.270 -0.650 -8.314) 9.369 3.794 ( 0.455 2.509 5.788) 6.325 4.219 ( 6.955 -3.920 -5.830) 9.885 4.331 ( -14.380 6.843 -3.506) 16.307 4.835 ( -4.017 3.021 -3.881) 6.350 4.867 ( -3.733 7.927 2.662) 9.157 5.059 ( -7.864 -3.136 -2.344) 8.785 5.247 ( -12.463 -2.658 5.565) 13.906 5.372 ( -6.626 -1.362 -0.950) 6.830 5.595 ( -7.341 -8.098 -0.740) 10.955 5.748 ( 0.694 -8.132 -4.202) 9.180 5.938 ( 5.462 -2.739 1.760) 6.358 6.262 ( 10.632 -4.736 3.970) 12.298 6.496 ( 2.091 -1.835 -0.832) 2.903 6.718 ( 2.124 -4.603 0.581) 5.102 6.858 ( 11.929 14.118 -4.765) 19.087 7.113 ( 4.536 -0.907 -6.510) 7.986 7.185 ( 4.780 3.744 -1.960) 6.380 7.324 ( -1.068 1.437 0.091) 1.793 7.536 ( 5.131 5.140 4.827) 8.720 7.734 ( 4.350 -2.230 5.254) 7.177 7.931 ( 4.997 3.671 -6.474) 8.964 8.181 ( 11.936 -9.411 3.332) 15.561 8.407 ( 1.107 -1.118 -3.604) 3.932 8.477 ( 2.587 -6.276 -0.540) 6.810 8.550 ( 8.361 -1.112 8.142) 11.723 8.779 ( -4.246 -5.845 0.344) 7.232 8.984 ( -4.920 -3.858 0.638) 6.285 9.045 ( -1.331 2.070 -5.165) 5.721 9.138 ( 2.090 6.837 7.133) 10.099 9.413 ( -1.662 5.473 0.908) 5.792 9.500 ( 5.352 -7.564 2.095) 9.500 9.800 ( -2.544 1.484 -1.792) 3.448 10.028 ( -2.066 -4.683 6.582) 8.338 10.171 ( -1.569 -2.933 -1.115) 3.508 10.458 ( 2.544 1.935 -3.145) 4.484 10.516 ( -1.997 3.752 -0.271) 4.258 10.871 ( -2.322 4.745 5.674) 7.753 11.074 ( -6.859 6.425 -5.854) 11.072 11.510 ( -1.387 3.948 3.198) 5.266 11.945 ( 1.355 -0.776 8.945) 9.080 12.080 ( 0.592 0.477 -1.720) 1.880 12.357 ( 3.007 -9.009 -10.263) 13.984 13.141 ( -8.304 2.520 -13.196) 15.794 13.900 ( -1.850 3.164 16.370) 16.775 14.426 ( 3.014 -8.776 -16.034) 18.525 14.718 ( 2.753 -8.638 13.373) 16.157 15.058 ( -1.809 6.310 0.408) 6.577 15.299 ( -3.200 0.952 18.086) 18.391 15.440 ( -5.322 5.800 4.794) 9.216 16.233 ( 14.941 0.884 -4.027) 15.499 16.550 ( 1.794 -0.509 -5.537) 5.842 16.765 ( -4.412 -11.805 -1.578) 12.701 16.844 ( 1.798 4.772 -9.803) 11.050 17.884 ( 9.945 1.082 3.413) 10.570 18.360 ( -2.146 11.060 2.280) 11.494 18.624 ( 3.846 -7.185 -1.045) 8.216 18.939 ( 1.000 -5.334 6.810) 8.708 19.055 ( 6.253 -9.400 4.325) 12.090 20.314 ( -9.204 19.579 4.419) 22.081 20.531 ( -5.448 8.392 0.161) 10.007 21.187 ( -7.541 1.677 -17.938) 19.531 21.869 ( 0.838 -17.014 -3.144) 17.322 22.714 ( -1.502 -2.566 3.827) 4.846 23.079 ( 0.823 0.227 -5.528) 5.593 23.108 ( 0.707 0.114 0.229) 0.751 23.258 ( 1.340 0.509 -1.084) 1.798 ======================= Grid point 185 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -23.627 0.000 -9.174) 25.346 1.331 ( -18.377 0.000 10.174) 21.005 1.876 ( 3.058 -0.000 1.307) 3.325 2.123 ( 7.432 -0.000 2.789) 7.938 2.123 ( -5.983 0.000 2.684) 6.558 2.652 ( -14.789 0.000 -3.156) 15.123 2.663 ( -13.610 0.000 8.841) 16.229 2.768 ( -9.752 0.000 5.509) 11.201 2.953 ( 2.937 -0.000 5.993) 6.674 3.234 ( -0.476 0.000 -8.523) 8.536 3.575 ( 10.987 -0.000 -4.511) 11.877 3.726 ( -4.596 0.000 1.002) 4.704 3.884 ( 2.059 -0.000 12.340) 12.511 4.088 ( 10.799 -0.000 -8.096) 13.497 4.484 ( -21.622 0.000 -7.784) 22.980 4.878 ( -13.030 0.000 -4.802) 13.887 4.928 ( -5.315 0.000 -6.363) 8.291 5.130 ( 2.603 -0.000 5.131) 5.753 5.310 ( -15.280 0.000 -4.421) 15.907 5.332 ( -7.060 0.000 0.245) 7.064 5.467 ( -3.892 0.000 3.872) 5.490 5.504 ( -8.931 0.000 -4.555) 10.026 5.866 ( 11.684 -0.000 4.075) 12.374 6.139 ( 10.801 -0.000 10.942) 15.375 6.372 ( 11.917 -0.000 6.585) 13.615 6.795 ( 7.990 -0.000 -8.291) 11.514 7.022 ( -0.728 0.000 -9.745) 9.772 7.074 ( 2.545 -0.000 -0.665) 2.631 7.291 ( 12.476 -0.000 -2.237) 12.675 7.332 ( 2.516 -0.000 -11.027) 11.311 7.634 ( 6.064 -0.000 3.867) 7.192 7.748 ( 5.321 -0.000 9.512) 10.899 7.916 ( 12.631 -0.000 -3.985) 13.245 8.022 ( 3.173 -0.000 -8.116) 8.715 8.334 ( -3.024 0.000 6.326) 7.012 8.449 ( 11.180 -0.000 1.371) 11.263 8.503 ( 7.824 -0.000 7.489) 10.831 8.746 ( -0.369 0.000 -3.314) 3.334 8.825 ( -10.084 0.000 3.433) 10.653 9.085 ( -1.382 0.000 -4.251) 4.470 9.236 ( -0.624 0.000 0.619) 0.879 9.471 ( 3.326 -0.000 3.874) 5.106 9.525 ( 11.687 -0.000 10.904) 15.984 9.845 ( -0.731 0.000 0.324) 0.800 9.924 ( -1.964 0.000 1.223) 2.314 10.047 ( -5.301 0.000 -5.227) 7.445 10.486 ( 1.184 -0.000 -2.762) 3.005 10.555 ( -2.978 0.000 -4.960) 5.786 11.007 ( -1.501 0.000 9.639) 9.755 11.173 ( -5.343 0.000 -8.469) 10.013 11.711 ( 2.912 -0.000 1.048) 3.094 11.836 ( 5.625 -0.000 14.068) 15.151 12.039 ( -1.278 0.000 10.652) 10.728 12.182 ( -3.962 0.000 -16.928) 17.385 13.217 ( -14.256 0.000 -19.126) 23.854 13.976 ( 0.884 -0.000 9.929) 9.968 14.238 ( 3.020 -0.000 -14.272) 14.588 14.528 ( 0.056 -0.000 11.287) 11.287 15.235 ( -0.368 0.000 18.298) 18.302 15.282 ( -2.163 0.000 10.560) 10.779 15.546 ( -2.792 0.000 9.606) 10.004 16.207 ( 10.211 -0.000 -5.615) 11.653 16.562 ( 2.945 -0.000 -6.863) 7.468 16.626 ( -1.214 0.000 -2.767) 3.021 16.979 ( 5.990 -0.000 -16.611) 17.658 17.823 ( 21.057 -0.000 17.543) 27.408 18.410 ( -10.322 0.000 -7.769) 12.919 18.706 ( 4.381 -0.000 8.435) 9.505 18.765 ( 7.746 -0.000 1.005) 7.811 18.905 ( -9.461 0.000 6.424) 11.436 20.605 ( -2.267 0.000 7.028) 7.385 20.895 ( 3.220 -0.000 -9.665) 10.188 21.272 ( -13.778 0.000 -39.487) 41.822 21.328 ( -12.143 0.000 20.596) 23.909 22.672 ( -1.373 0.000 3.713) 3.959 23.080 ( 0.419 -0.000 -4.172) 4.193 23.104 ( 2.736 -0.000 -2.238) 3.535 23.274 ( 0.886 -0.000 0.060) 0.888 ======================= Grid point 186 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -14.722 -5.045 9.391) 18.176 1.305 ( -18.479 -19.682 6.982) 27.886 1.915 ( 6.322 2.566 -1.081) 6.907 2.078 ( -7.055 -1.448 7.202) 10.185 2.274 ( 11.819 2.817 0.860) 12.180 2.482 ( -14.003 -3.166 -1.874) 14.478 2.530 ( -6.628 3.303 6.688) 9.979 2.645 ( -9.618 -0.800 5.661) 11.189 2.988 ( -3.081 1.573 4.401) 5.598 3.190 ( -4.098 -5.089 -3.343) 7.340 3.577 ( -1.635 8.511 1.333) 8.768 3.758 ( 11.707 -0.840 -7.834) 14.111 3.907 ( 1.049 5.355 3.650) 6.565 4.200 ( -6.085 -0.461 1.486) 6.281 4.223 ( 1.532 -1.217 -7.986) 8.223 4.665 ( -14.693 -1.982 -2.756) 15.081 4.833 ( -7.004 -0.557 -6.981) 9.904 5.043 ( -6.079 8.376 -3.162) 10.821 5.138 ( -4.423 -0.036 3.318) 5.530 5.311 ( -10.426 2.752 2.614) 11.095 5.325 ( -6.043 -6.360 0.102) 8.774 5.639 ( 6.099 -13.245 -2.063) 14.727 6.070 ( 12.809 -0.050 6.378) 14.309 6.321 ( 4.386 -3.389 8.605) 10.235 6.572 ( 7.835 3.436 0.996) 8.613 6.728 ( 2.443 3.160 -4.935) 6.349 7.034 ( 3.112 -6.165 -8.020) 10.584 7.085 ( -0.248 -1.868 -2.554) 3.174 7.277 ( 5.412 5.810 -8.769) 11.829 7.392 ( 9.327 5.570 -2.959) 11.259 7.707 ( 3.915 0.541 4.561) 6.035 7.795 ( -0.618 6.842 10.956) 12.932 8.007 ( 4.995 1.231 -9.700) 10.980 8.131 ( 8.715 -12.291 -4.069) 15.607 8.337 ( -1.619 -0.587 0.670) 1.848 8.562 ( 8.121 1.553 3.410) 8.944 8.687 ( -2.044 -1.343 1.782) 3.025 8.756 ( 12.363 -2.232 8.106) 14.951 8.831 ( 1.208 -5.814 -0.595) 5.968 9.006 ( -3.914 1.143 -5.901) 7.173 9.254 ( 1.093 -1.635 4.149) 4.592 9.488 ( 0.362 4.909 2.658) 5.594 9.605 ( 5.638 8.731 6.213) 12.109 9.802 ( -2.052 4.082 -1.671) 4.864 9.936 ( -3.234 -5.544 2.865) 7.029 10.061 ( -1.979 -7.611 -0.472) 7.878 10.477 ( -4.416 -0.630 -7.743) 8.936 10.506 ( 3.642 1.116 -1.548) 4.112 11.003 ( -2.667 7.957 5.594) 10.086 11.065 ( 4.694 2.773 -3.840) 6.669 11.624 ( -0.688 10.326 2.805) 10.722 11.933 ( -8.731 -0.612 -2.694) 9.158 12.091 ( 1.310 -0.566 -0.762) 1.617 12.196 ( 4.315 -12.593 4.494) 14.050 12.986 ( -7.093 -1.006 -8.690) 11.263 14.012 ( 1.246 3.889 10.509) 11.275 14.245 ( 2.701 -6.993 -19.162) 20.576 14.622 ( -3.009 -9.339 7.500) 12.349 15.224 ( -1.705 9.491 13.637) 16.702 15.314 ( -6.047 -0.832 13.306) 14.639 15.554 ( -0.148 7.587 12.110) 14.291 16.376 ( 15.663 -6.562 -4.475) 17.562 16.546 ( 0.876 2.624 -5.511) 6.166 16.603 ( -1.328 -1.645 -3.641) 4.210 16.902 ( 1.879 5.836 -10.318) 12.002 18.099 ( 7.189 7.730 5.825) 12.057 18.434 ( 7.857 -7.735 5.898) 12.504 18.677 ( 5.980 6.227 4.147) 9.578 18.878 ( -3.988 -2.990 8.840) 10.149 19.047 ( 15.039 -13.293 2.679) 20.249 20.445 ( -24.044 22.873 -23.751) 40.810 20.569 ( -2.940 5.568 5.399) 8.294 20.958 ( -6.996 -2.071 -19.516) 20.835 21.518 ( -8.135 -25.156 3.859) 26.719 22.700 ( 0.169 -1.486 5.052) 5.269 23.068 ( 1.120 0.026 -3.799) 3.961 23.116 ( 0.483 0.342 -1.661) 1.764 23.253 ( -2.248 0.425 -2.062) 3.080 ======================= Grid point 194 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -2.913 0.000 21.007) 21.208 0.954 ( -17.823 0.000 16.760) 24.465 2.000 ( -15.940 0.000 22.400) 27.492 2.074 ( 15.120 -0.000 -4.546) 15.789 2.249 ( -13.952 0.000 -6.162) 15.252 2.305 ( -9.917 0.000 2.273) 10.174 2.533 ( -1.811 0.000 -3.988) 4.379 2.603 ( 8.037 -0.000 2.188) 8.329 2.987 ( -9.687 0.000 -6.027) 11.409 3.099 ( 3.330 -0.000 10.089) 10.625 3.519 ( -14.623 0.000 2.273) 14.798 3.888 ( 4.573 -0.000 -9.174) 10.251 3.934 ( -4.678 0.000 2.121) 5.137 4.163 ( 6.575 -0.000 3.935) 7.663 4.265 ( 9.337 -0.000 -6.912) 11.617 4.519 ( -3.230 0.000 -1.881) 3.738 4.703 ( -6.575 0.000 -6.334) 9.129 4.860 ( -11.732 0.000 -8.420) 14.441 5.133 ( -8.154 0.000 0.544) 8.172 5.246 ( -1.071 0.000 5.626) 5.727 5.432 ( 3.171 -0.000 2.918) 4.309 5.492 ( 3.802 -0.000 0.288) 3.813 6.266 ( 10.955 -0.000 3.518) 11.506 6.392 ( 0.970 -0.000 12.324) 12.362 6.755 ( 7.977 -0.000 8.174) 11.421 6.806 ( 7.776 -0.000 -15.417) 17.267 6.816 ( -8.991 0.000 -3.952) 9.821 7.030 ( -2.139 0.000 -5.389) 5.799 7.361 ( 5.780 -0.000 -3.780) 6.907 7.512 ( 3.174 -0.000 -7.451) 8.099 7.782 ( 3.529 -0.000 10.805) 11.367 7.964 ( 1.934 -0.000 10.482) 10.659 7.995 ( 1.910 -0.000 -5.099) 5.445 8.080 ( 6.109 -0.000 -8.150) 10.185 8.309 ( 0.608 -0.000 -10.755) 10.773 8.647 ( -2.238 0.000 9.437) 9.699 8.756 ( 8.351 -0.000 -2.015) 8.590 8.766 ( 5.525 -0.000 6.761) 8.731 8.907 ( -7.179 0.000 -4.536) 8.491 9.016 ( 15.699 -0.000 1.979) 15.823 9.264 ( 1.005 -0.000 6.445) 6.523 9.564 ( 2.606 -0.000 2.411) 3.550 9.790 ( 2.895 -0.000 4.624) 5.456 9.794 ( -2.949 0.000 -1.216) 3.190 9.901 ( -0.532 0.000 1.324) 1.426 9.960 ( 2.881 -0.000 -2.043) 3.532 10.317 ( -10.941 0.000 -9.332) 14.380 10.558 ( 3.402 -0.000 -1.158) 3.593 11.006 ( 1.529 -0.000 -10.263) 10.376 11.202 ( -0.245 0.000 -4.065) 4.072 11.612 ( -13.098 0.000 -7.254) 14.973 11.817 ( 2.659 -0.000 2.950) 3.971 12.032 ( -6.151 0.000 5.845) 8.485 12.257 ( 4.109 -0.000 6.127) 7.377 12.930 ( 5.837 -0.000 4.029) 7.092 14.068 ( -1.395 0.000 -18.865) 18.916 14.218 ( 15.477 -0.000 4.376) 16.084 14.524 ( -6.735 0.000 9.014) 11.252 15.293 ( -4.772 0.000 8.383) 9.647 15.334 ( -4.841 0.000 11.598) 12.568 15.747 ( 4.431 -0.000 19.840) 20.329 16.448 ( 11.192 -0.000 -4.800) 12.178 16.577 ( 3.118 -0.000 -4.855) 5.770 16.598 ( 6.328 -0.000 -8.533) 10.623 16.912 ( -0.992 0.000 -7.196) 7.264 18.193 ( -3.022 0.000 2.186) 3.730 18.542 ( 5.956 -0.000 0.681) 5.995 18.794 ( -0.061 0.000 9.904) 9.904 19.050 ( 14.873 -0.000 -6.834) 16.368 19.186 ( 31.573 -0.000 20.816) 37.818 19.807 ( -53.929 0.000 -54.403) 76.603 20.614 ( -2.705 0.000 6.837) 7.353 20.950 ( 2.335 -0.000 -6.395) 6.808 21.107 ( -21.632 0.000 16.520) 27.218 22.728 ( 1.078 -0.000 5.840) 5.938 23.067 ( 1.655 -0.000 -2.683) 3.152 23.094 ( -4.099 0.000 -2.214) 4.658 23.202 ( -2.709 0.000 -2.453) 3.654 ======================= Grid point 195 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -3.630 0.000 -7.625) 8.445 1.325 ( 3.630 -0.000 7.625) 8.445 1.865 ( -14.050 0.000 -1.984) 14.189 1.865 ( 14.050 -0.000 1.984) 14.189 2.171 ( 11.399 -0.000 -10.744) 15.664 2.171 ( -11.399 0.000 10.744) 15.664 2.722 ( -6.784 0.000 1.403) 6.928 2.722 ( 6.784 -0.000 -1.403) 6.928 2.936 ( -12.307 0.000 -14.123) 18.733 2.936 ( 12.307 -0.000 14.123) 18.733 3.461 ( 2.474 -0.000 -15.448) 15.645 3.461 ( -2.474 0.000 15.448) 15.645 4.192 ( -0.261 0.000 -4.979) 4.986 4.192 ( 0.261 -0.000 4.979) 4.986 4.378 ( 1.002 -0.000 -10.474) 10.522 4.378 ( -1.002 0.000 10.474) 10.522 4.577 ( -7.858 0.000 -2.945) 8.391 4.577 ( 7.858 -0.000 2.945) 8.391 5.183 ( -12.075 0.000 1.599) 12.180 5.183 ( 12.075 -0.000 -1.599) 12.180 5.638 ( 0.828 -0.000 -1.196) 1.455 5.638 ( -0.828 0.000 1.196) 1.455 6.316 ( -1.525 0.000 -4.868) 5.101 6.316 ( 1.525 -0.000 4.868) 5.101 6.790 ( 8.844 -0.000 -10.073) 13.404 6.790 ( -8.844 0.000 10.073) 13.404 6.927 ( -6.440 0.000 1.296) 6.569 6.927 ( 6.440 -0.000 -1.296) 6.569 7.576 ( 4.230 -0.000 -4.568) 6.226 7.576 ( -4.230 0.000 4.568) 6.226 7.808 ( 1.032 -0.000 -3.920) 4.053 7.808 ( -1.032 0.000 3.920) 4.053 7.995 ( 5.664 -0.000 -5.292) 7.752 7.995 ( -5.664 0.000 5.292) 7.752 8.541 ( -11.581 0.000 -9.209) 14.796 8.541 ( 11.581 -0.000 9.209) 14.796 8.777 ( 3.149 -0.000 -1.132) 3.347 8.777 ( -3.149 0.000 1.132) 3.347 9.174 ( -5.104 0.000 -2.953) 5.897 9.174 ( 5.104 -0.000 2.953) 5.897 9.517 ( -3.846 0.000 -6.546) 7.592 9.517 ( 3.846 -0.000 6.546) 7.592 9.729 ( 6.369 -0.000 -5.206) 8.226 9.729 ( -6.369 0.000 5.206) 8.226 10.028 ( -7.196 0.000 -3.595) 8.044 10.028 ( 7.196 -0.000 3.595) 8.044 10.216 ( -21.918 0.000 5.062) 22.495 10.216 ( 21.918 -0.000 -5.062) 22.495 10.759 ( 3.393 -0.000 -6.769) 7.571 10.759 ( -3.393 0.000 6.769) 7.571 11.838 ( -11.615 0.000 2.232) 11.827 11.838 ( 11.615 -0.000 -2.232) 11.827 12.070 ( -3.515 0.000 -4.374) 5.612 12.070 ( 3.515 -0.000 4.374) 5.612 13.476 ( -5.295 0.000 -12.527) 13.600 13.476 ( 5.295 -0.000 12.527) 13.600 14.638 ( 12.955 -0.000 -8.585) 15.542 14.638 ( -12.955 0.000 8.585) 15.542 15.294 ( -4.441 0.000 -0.315) 4.452 15.294 ( 4.441 -0.000 0.315) 4.452 16.329 ( -3.153 0.000 -8.695) 9.249 16.329 ( 3.153 -0.000 8.695) 9.249 16.573 ( 4.401 -0.000 -4.447) 6.257 16.573 ( -4.401 0.000 4.447) 6.257 17.218 ( -40.527 0.000 -3.884) 40.713 17.218 ( 40.527 -0.000 3.884) 40.713 18.391 ( -2.993 0.000 -6.539) 7.192 18.391 ( 2.993 -0.000 6.539) 7.192 19.047 ( 7.989 -0.000 -11.399) 13.920 19.047 ( -7.989 0.000 11.399) 13.920 20.763 ( -32.358 0.000 8.485) 33.452 20.763 ( 32.358 -0.000 -8.485) 33.452 20.791 ( 11.201 -0.000 -8.266) 13.921 20.791 ( -11.201 0.000 8.266) 13.921 22.919 ( -3.121 0.000 -2.187) 3.811 22.919 ( 3.121 -0.000 2.187) 3.811 23.099 ( -2.348 0.000 -1.105) 2.595 23.099 ( 2.348 -0.000 1.105) 2.595 ======================= Grid point 197 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -3.711 -10.185 -4.388) 11.694 1.387 ( -0.768 -6.970 -12.437) 14.278 1.752 ( -5.020 0.639 14.292) 15.161 2.004 ( 7.478 2.924 2.235) 8.335 2.109 ( 0.979 4.005 5.498) 6.872 2.311 ( 12.570 -3.830 -0.587) 13.154 2.678 ( -6.457 -1.519 0.824) 6.684 2.733 ( -9.161 -3.649 -14.273) 17.348 2.860 ( 8.483 -4.290 -0.476) 9.518 3.166 ( 9.115 -3.554 7.040) 12.053 3.480 ( 11.841 -0.355 -13.766) 18.161 3.553 ( 2.071 0.410 13.698) 13.860 4.056 ( -8.355 4.506 -4.656) 10.573 4.166 ( -5.718 -0.474 5.108) 7.682 4.415 ( -6.927 -0.929 -5.698) 9.018 4.479 ( 5.191 -5.420 -3.733) 8.382 4.519 ( 9.249 -0.328 4.737) 10.397 4.680 ( 3.857 -4.632 1.520) 6.216 5.076 ( -3.788 0.047 1.600) 4.112 5.301 ( 9.303 2.500 -2.197) 9.880 5.409 ( -5.599 12.236 -9.614) 16.538 5.670 ( 4.524 1.684 6.185) 7.846 6.320 ( -3.523 -4.161 -3.302) 6.374 6.502 ( 2.460 -9.329 4.659) 10.714 6.694 ( -12.581 -1.465 8.236) 15.108 6.801 ( 3.871 2.188 -7.170) 8.436 6.884 ( -2.299 -0.531 3.215) 3.988 6.990 ( 0.840 -2.932 -3.248) 4.455 7.435 ( -6.820 7.875 -4.644) 11.406 7.542 ( 0.174 2.729 -6.381) 6.942 7.780 ( -2.884 6.402 8.950) 11.376 7.826 ( -1.197 1.829 9.646) 9.890 7.960 ( -4.759 -0.918 1.955) 5.226 8.096 ( 8.871 -4.708 -2.171) 10.275 8.314 ( -10.784 1.207 -8.444) 13.749 8.648 ( 3.979 4.887 7.098) 9.492 8.754 ( -3.047 0.403 -0.473) 3.109 8.874 ( 4.736 -5.402 -0.762) 7.225 9.058 ( -9.463 -2.618 -4.570) 10.830 9.157 ( -4.204 1.631 -0.129) 4.511 9.444 ( -1.669 -0.832 -4.087) 4.493 9.587 ( 2.144 -0.134 5.672) 6.065 9.662 ( -10.862 6.598 2.097) 12.881 9.808 ( -6.589 -1.501 4.395) 8.062 9.868 ( 0.941 2.591 -2.272) 3.572 10.027 ( 4.579 -4.051 3.267) 6.932 10.130 ( -1.589 -0.189 0.706) 1.750 10.450 ( 18.425 7.880 -4.452) 20.528 10.799 ( -3.945 -4.112 7.477) 9.401 10.891 ( 10.165 -8.720 0.353) 13.398 11.689 ( -9.867 0.301 -1.790) 10.033 11.899 ( -1.084 1.401 -0.734) 1.917 12.051 ( 5.163 0.781 -1.491) 5.430 12.179 ( 6.238 -2.829 3.034) 7.491 13.319 ( -8.983 0.252 -12.470) 15.371 13.612 ( 3.984 -1.369 14.076) 14.693 14.503 ( -14.193 -3.343 -1.560) 14.664 14.750 ( 8.189 -4.927 -9.909) 13.767 15.242 ( 0.991 4.583 4.524) 6.516 15.310 ( 6.465 8.792 0.263) 10.916 16.039 ( -7.983 16.509 -6.018) 19.300 16.300 ( 6.507 14.008 5.933) 16.546 16.558 ( -5.642 -3.762 2.923) 7.385 16.600 ( -1.191 -3.547 -1.159) 3.917 16.967 ( -21.746 -14.570 -2.091) 26.259 17.949 ( 38.145 -6.745 17.337) 42.439 18.359 ( 4.270 -5.354 -2.611) 7.329 18.489 ( 5.528 -1.906 5.938) 8.334 18.932 ( -8.657 7.726 3.599) 12.148 19.067 ( 6.179 1.675 -8.006) 10.251 20.182 ( -33.771 4.712 -0.617) 34.104 20.622 ( 4.322 16.337 2.717) 17.116 20.885 ( -6.910 -13.338 -7.122) 16.624 21.354 ( 23.171 -18.221 -7.816) 30.496 22.888 ( -1.543 -1.307 -2.370) 3.115 22.986 ( 3.582 -0.867 2.702) 4.569 23.060 ( -2.442 0.309 -1.111) 2.700 23.135 ( 2.863 -0.087 0.509) 2.909 ======================= Grid point 198 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -4.364 -7.985 -8.526) 12.469 1.576 ( 2.760 -17.192 -2.129) 17.542 1.803 ( -0.259 -0.324 11.430) 11.437 2.025 ( 2.897 -1.075 -2.158) 3.769 2.147 ( 7.270 7.418 3.596) 10.991 2.493 ( -5.577 -1.925 1.052) 5.992 2.634 ( 9.463 -5.906 0.409) 11.162 2.694 ( -4.038 -4.490 -1.962) 6.349 2.967 ( 2.571 0.491 -1.390) 2.963 3.287 ( 2.358 1.057 -0.806) 2.707 3.535 ( 5.683 2.452 -9.196) 11.085 3.617 ( 5.458 2.734 2.498) 6.595 3.864 ( -5.810 5.256 -1.658) 8.008 4.142 ( -4.329 -1.308 4.989) 6.733 4.278 ( -6.228 -0.872 -6.297) 8.900 4.615 ( 2.414 -2.336 1.276) 3.594 4.678 ( 9.433 -7.758 -1.450) 12.299 4.869 ( 5.881 -6.207 3.370) 9.191 5.124 ( 7.432 1.624 -1.951) 7.854 5.229 ( 6.020 -2.295 -1.703) 6.664 5.390 ( 8.106 -1.797 -4.643) 9.513 5.757 ( 4.900 -0.369 6.032) 7.780 6.264 ( -6.406 0.928 -2.170) 6.827 6.431 ( -16.004 1.430 -3.571) 16.460 6.648 ( -5.658 1.150 -8.447) 10.231 6.813 ( -0.821 -0.002 7.053) 7.101 6.930 ( -0.194 -3.730 5.146) 6.358 6.982 ( -1.435 0.966 2.307) 2.883 7.251 ( -4.356 2.375 0.665) 5.006 7.427 ( -7.799 2.831 -6.005) 10.242 7.658 ( -2.042 11.344 9.524) 14.952 7.762 ( -4.717 5.426 0.471) 7.205 7.964 ( 2.557 -1.890 -0.984) 3.328 8.232 ( -1.786 -2.862 3.292) 4.713 8.283 ( 9.189 -3.003 0.233) 9.670 8.599 ( -2.681 1.748 2.318) 3.952 8.695 ( -7.044 1.136 1.797) 7.358 8.948 ( -4.230 -5.974 -1.821) 7.543 9.011 ( -3.324 -4.545 -1.843) 5.925 9.141 ( -0.437 -4.165 -4.040) 5.819 9.305 ( -9.594 8.831 1.497) 13.126 9.487 ( -8.808 3.036 -4.501) 10.347 9.557 ( 1.818 5.504 1.765) 6.060 9.780 ( 0.168 -0.314 0.056) 0.360 9.922 ( 6.523 -4.343 4.106) 8.847 10.143 ( 2.609 -0.792 -0.748) 2.828 10.240 ( 5.987 -6.235 6.858) 11.034 10.445 ( 9.055 10.020 -6.012) 14.783 10.822 ( -5.030 -2.161 5.889) 8.040 11.091 ( -1.982 -4.450 4.104) 6.370 11.604 ( -0.500 -0.221 -5.077) 5.106 11.813 ( -3.332 1.729 -0.353) 3.771 12.136 ( 7.088 1.132 3.826) 8.134 12.288 ( 3.560 -1.682 -2.389) 4.605 13.135 ( -9.382 -1.493 -9.964) 13.767 13.783 ( 3.486 -4.072 17.568) 18.368 14.398 ( -6.359 -5.526 -11.575) 14.316 14.879 ( 4.126 -7.932 -7.226) 11.496 15.186 ( 2.029 14.361 2.669) 14.747 15.259 ( 6.834 5.554 3.784) 9.585 15.752 ( -3.152 8.246 -6.374) 10.889 16.194 ( 3.416 14.003 6.897) 15.979 16.556 ( -1.257 -1.069 -0.327) 1.682 16.636 ( -0.230 -1.986 1.854) 2.727 16.941 ( -16.462 -17.617 -3.984) 24.438 18.080 ( 0.092 8.239 -3.005) 8.771 18.567 ( -6.419 7.427 0.455) 9.827 18.634 ( 2.268 1.542 8.646) 9.071 18.958 ( 25.317 -2.936 16.421) 30.318 19.076 ( 7.718 1.167 -5.035) 9.288 19.868 ( -22.284 -11.823 0.568) 25.233 20.476 ( 1.531 10.462 1.538) 10.685 20.924 ( -5.287 -9.121 -7.248) 12.793 21.775 ( 14.097 -13.035 -5.767) 20.047 22.884 ( -0.593 -1.929 -3.414) 3.966 23.000 ( -2.736 1.480 0.837) 3.221 23.063 ( 1.934 -1.201 1.598) 2.782 23.181 ( 3.674 -0.136 0.228) 3.684 ======================= Grid point 199 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 2.254 -13.628 -6.162) 15.125 1.814 ( -0.048 -6.211 6.627) 9.083 1.876 ( 5.214 -4.727 2.552) 7.486 2.017 ( -7.828 9.677 1.261) 12.510 2.125 ( 8.000 -1.911 -2.947) 8.737 2.417 ( -5.137 0.727 -1.949) 5.542 2.697 ( -3.106 -5.091 1.083) 6.062 2.806 ( 0.615 2.148 -2.728) 3.526 2.994 ( 1.951 -2.010 6.419) 7.003 3.188 ( 2.255 8.370 -0.942) 8.719 3.512 ( 1.208 -0.657 -9.311) 9.412 3.622 ( -0.582 2.124 1.262) 2.539 3.793 ( 2.105 0.623 -2.136) 3.063 4.120 ( -2.283 0.501 1.125) 2.594 4.252 ( -1.336 -2.526 0.399) 2.886 4.701 ( 4.681 -2.483 1.357) 5.470 4.888 ( 6.329 -3.593 -5.365) 9.041 4.945 ( 3.412 -1.488 4.716) 6.008 5.193 ( 4.243 -3.118 -3.395) 6.265 5.459 ( 8.370 -3.319 -1.737) 9.170 5.572 ( 15.291 -9.722 -3.371) 18.431 5.882 ( 1.918 -5.688 3.290) 6.845 6.098 ( -16.484 5.633 -4.315) 17.947 6.193 ( -2.088 3.179 4.688) 6.037 6.485 ( -6.145 2.701 -5.732) 8.827 6.702 ( -8.206 7.900 1.319) 11.467 6.959 ( -0.772 0.443 4.959) 5.038 7.045 ( 0.148 2.194 3.974) 4.542 7.234 ( -6.691 -10.040 -5.928) 13.443 7.281 ( -4.013 -0.716 4.258) 5.895 7.531 ( 1.500 11.461 5.080) 12.625 7.623 ( -3.367 6.506 -0.032) 7.326 8.041 ( 4.288 -4.870 -6.152) 8.942 8.249 ( -4.781 2.810 9.082) 10.642 8.400 ( 11.002 2.763 0.217) 11.346 8.598 ( -3.738 -0.973 2.163) 4.427 8.685 ( -0.268 -11.202 4.082) 11.925 8.953 ( -4.324 -4.610 -2.246) 6.707 8.978 ( -14.368 3.234 -6.607) 16.142 9.064 ( 1.881 0.344 1.361) 2.347 9.194 ( -4.607 7.953 0.073) 9.192 9.257 ( -0.388 3.286 -5.750) 6.634 9.611 ( 4.090 -2.609 1.193) 4.996 9.781 ( -1.933 -1.685 -1.422) 2.932 10.100 ( 6.329 -3.812 2.863) 7.924 10.184 ( 3.246 1.395 -0.230) 3.541 10.385 ( 3.450 3.013 -0.026) 4.580 10.403 ( 4.404 -1.315 3.026) 5.503 10.816 ( -0.335 0.665 2.655) 2.757 11.016 ( -13.066 -0.901 -0.552) 13.108 11.540 ( -2.530 2.657 -2.878) 4.663 11.872 ( 7.788 -2.737 1.724) 8.433 12.206 ( 2.717 2.347 7.092) 7.949 12.272 ( -1.869 -0.213 -9.510) 9.694 13.052 ( -3.739 -2.967 -3.474) 5.903 13.996 ( 1.606 -5.466 21.111) 21.866 14.353 ( 0.838 -3.784 -19.511) 19.892 14.954 ( 0.148 2.597 -1.165) 2.850 15.024 ( 0.736 4.730 -1.425) 4.995 15.304 ( 4.412 2.741 4.336) 6.766 15.645 ( 1.532 1.088 -6.105) 6.388 16.073 ( -1.079 9.546 6.748) 11.740 16.555 ( 0.061 -0.866 -2.139) 2.308 16.649 ( -0.074 1.668 2.635) 3.119 17.034 ( -7.224 -18.721 -2.638) 20.240 17.874 ( -4.245 13.790 -3.123) 14.762 18.313 ( -4.585 7.989 -1.814) 9.388 18.714 ( -0.261 -2.163 2.930) 3.651 19.095 ( 10.951 2.836 -3.058) 11.719 19.278 ( 1.547 -1.435 8.629) 8.883 19.923 ( -2.413 -9.241 7.207) 11.965 20.383 ( -0.249 4.393 0.458) 4.424 20.948 ( -2.300 -5.360 -4.197) 7.186 22.024 ( 6.764 -6.642 -2.624) 9.836 22.888 ( 0.239 -1.984 -4.357) 4.793 22.946 ( -2.714 1.946 2.401) 4.113 23.103 ( 0.775 -0.794 1.025) 1.510 23.224 ( 2.548 0.111 0.164) 2.555 ======================= Grid point 200 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 0.000 -0.000 -0.000) 0.000 1.751 ( -0.000 0.000 0.000) 0.000 1.884 ( -0.000 0.000 -0.000) 0.000 2.055 ( 0.000 -0.000 0.000) 0.000 2.138 ( -0.000 0.000 -0.000) 0.000 2.349 ( -0.000 0.000 0.000) 0.000 2.761 ( -0.000 0.000 0.000) 0.000 2.770 ( -0.000 0.000 0.000) 0.000 2.925 ( -0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 3.483 ( -0.000 0.000 0.000) 0.000 3.599 ( -0.000 0.000 -0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 4.106 ( -0.000 0.000 0.000) 0.000 4.266 ( -0.000 0.000 0.000) 0.000 4.781 ( -0.000 0.000 0.000) 0.000 4.865 ( -0.000 -0.000 0.000) 0.000 5.088 ( -0.000 0.000 0.000) 0.000 5.188 ( -0.000 0.000 0.000) 0.000 5.602 ( -0.000 0.000 -0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 5.875 ( -0.000 0.000 -0.000) 0.000 5.897 ( 0.000 0.000 0.000) 0.000 6.330 ( 0.000 0.000 0.000) 0.000 6.405 ( -0.000 0.000 0.000) 0.000 6.474 ( -0.000 0.000 -0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 6.989 ( -0.000 0.000 -0.000) 0.000 7.278 ( -0.000 0.000 0.000) 0.000 7.324 ( -0.000 0.000 -0.000) 0.000 7.473 ( 0.000 -0.000 -0.000) 0.000 7.513 ( -0.000 0.000 0.000) 0.000 8.106 ( -0.000 0.000 0.000) 0.000 8.194 ( -0.000 0.000 0.000) 0.000 8.458 ( -0.000 0.000 -0.000) 0.000 8.645 ( 0.000 0.000 0.000) 0.000 8.764 ( -0.000 0.000 0.000) 0.000 8.908 ( -0.000 0.000 -0.000) 0.000 8.911 ( -0.000 -0.000 0.000) 0.000 8.997 ( -0.000 0.000 0.000) 0.000 9.074 ( -0.000 -0.000 0.000) 0.000 9.256 ( -0.000 0.000 -0.000) 0.000 9.683 ( -0.000 0.000 0.000) 0.000 9.766 ( -0.000 0.000 -0.000) 0.000 10.177 ( -0.000 0.000 0.000) 0.000 10.183 ( -0.000 0.000 0.000) 0.000 10.393 ( -0.000 0.000 0.000) 0.000 10.463 ( 0.000 0.000 -0.000) 0.000 10.843 ( 0.000 0.000 0.000) 0.000 10.888 ( -0.000 0.000 0.000) 0.000 11.492 ( -0.000 0.000 0.000) 0.000 11.977 ( -0.000 0.000 0.000) 0.000 12.195 ( -0.000 0.000 0.000) 0.000 12.236 ( -0.000 -0.000 -0.000) 0.000 13.047 ( -0.000 0.000 0.000) 0.000 14.138 ( -0.000 0.000 -0.000) 0.000 14.312 ( -0.000 -0.000 0.000) 0.000 14.885 ( -0.000 0.000 0.000) 0.000 15.026 ( -0.000 0.000 0.000) 0.000 15.322 ( -0.000 0.000 -0.000) 0.000 15.647 ( -0.000 0.000 0.000) 0.000 16.005 ( -0.000 0.000 0.000) 0.000 16.557 ( -0.000 0.000 0.000) 0.000 16.638 ( -0.000 0.000 0.000) 0.000 17.164 ( -0.000 0.000 0.000) 0.000 17.680 ( -0.000 0.000 0.000) 0.000 18.229 ( -0.000 0.000 0.000) 0.000 18.731 ( -0.000 0.000 0.000) 0.000 19.160 ( -0.000 0.000 0.000) 0.000 19.291 ( 0.000 0.000 0.000) 0.000 20.006 ( -0.000 0.000 -0.000) 0.000 20.351 ( -0.000 0.000 -0.000) 0.000 20.963 ( -0.000 0.000 0.000) 0.000 22.107 ( -0.000 0.000 0.000) 0.000 22.896 ( 0.000 -0.000 -0.000) 0.000 22.916 ( -0.000 0.000 0.000) 0.000 23.116 ( -0.000 0.000 0.000) 0.000 23.240 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 206 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -4.916 0.000 -17.181) 17.871 1.224 ( 5.790 -0.000 -5.571) 8.035 1.840 ( 2.109 -0.000 16.765) 16.897 1.972 ( -5.147 0.000 1.842) 5.467 2.328 ( 10.969 -0.000 1.157) 11.030 2.435 ( 6.748 -0.000 5.165) 8.498 2.560 ( 2.567 -0.000 -13.200) 13.447 2.625 ( -2.448 0.000 -0.021) 2.448 2.945 ( 10.647 -0.000 -1.399) 10.739 3.238 ( 4.677 -0.000 -1.832) 5.024 3.599 ( 11.973 -0.000 -6.270) 13.515 3.663 ( 3.024 -0.000 8.976) 9.472 4.018 ( 1.599 -0.000 -6.018) 6.226 4.080 ( -10.610 0.000 7.701) 13.110 4.288 ( -6.835 0.000 -4.427) 8.144 4.492 ( 4.248 -0.000 -1.254) 4.430 4.656 ( 4.519 -0.000 -1.383) 4.726 4.726 ( 16.147 -0.000 4.543) 16.774 5.113 ( 6.758 -0.000 2.932) 7.367 5.366 ( 1.574 -0.000 -6.438) 6.627 5.521 ( -4.667 0.000 -5.216) 6.999 5.537 ( -1.368 0.000 -3.413) 3.677 6.329 ( -1.324 0.000 -1.340) 1.883 6.507 ( 4.292 -0.000 3.970) 5.846 6.523 ( -13.629 0.000 10.020) 16.916 6.806 ( -0.551 0.000 -5.119) 5.148 6.900 ( 0.524 -0.000 6.840) 6.860 6.900 ( -6.054 0.000 -6.044) 8.554 7.347 ( -11.688 0.000 -1.934) 11.847 7.478 ( -6.440 0.000 -4.735) 7.994 7.850 ( -5.840 0.000 14.028) 15.195 7.895 ( -2.338 0.000 10.131) 10.397 7.912 ( -3.998 0.000 3.377) 5.233 8.050 ( -9.158 0.000 -4.170) 10.063 8.245 ( 13.859 -0.000 -9.521) 16.815 8.686 ( -3.475 0.000 2.642) 4.365 8.790 ( -2.416 0.000 -1.742) 2.978 8.807 ( -7.572 0.000 -0.843) 7.619 8.932 ( 0.465 -0.000 -2.954) 2.991 9.056 ( -11.150 0.000 -1.600) 11.264 9.366 ( -1.942 0.000 -3.324) 3.850 9.546 ( -5.308 0.000 4.408) 6.900 9.728 ( 0.608 -0.000 5.938) 5.969 9.814 ( 4.106 -0.000 2.282) 4.697 9.935 ( -7.181 0.000 0.453) 7.195 9.938 ( 0.785 -0.000 -2.634) 2.748 10.178 ( 9.427 -0.000 3.895) 10.200 10.578 ( -0.684 0.000 -4.207) 4.262 10.805 ( -0.092 0.000 9.162) 9.162 11.055 ( 13.610 -0.000 6.757) 15.195 11.596 ( -0.130 0.000 -1.758) 1.763 11.861 ( -4.898 0.000 -1.257) 5.057 12.144 ( 9.327 -0.000 -5.488) 10.822 12.244 ( 3.434 -0.000 6.085) 6.988 13.107 ( -12.916 0.000 -13.184) 18.456 13.716 ( 2.137 -0.000 15.368) 15.516 14.288 ( -11.474 0.000 -3.930) 12.128 14.742 ( 6.525 -0.000 -12.229) 13.861 15.331 ( 4.577 -0.000 4.182) 6.200 15.457 ( 5.470 -0.000 -0.087) 5.471 16.113 ( -3.669 0.000 -15.594) 16.020 16.241 ( -21.263 0.000 13.615) 25.248 16.484 ( 3.417 -0.000 2.834) 4.440 16.542 ( -1.830 0.000 -1.915) 2.648 16.805 ( -3.199 0.000 4.738) 5.717 18.270 ( -1.091 0.000 -5.232) 5.345 18.450 ( 7.787 -0.000 11.351) 13.765 18.779 ( 39.838 -0.000 24.667) 46.856 18.923 ( -8.676 0.000 6.081) 10.595 19.073 ( 6.989 -0.000 -11.363) 13.340 19.643 ( -38.678 0.000 -8.949) 39.700 20.763 ( 2.709 -0.000 -7.745) 8.205 20.803 ( -3.118 0.000 8.029) 8.613 21.432 ( 23.700 -0.000 -16.350) 28.793 22.850 ( -0.134 0.000 -4.724) 4.725 23.029 ( -2.349 0.000 0.132) 2.352 23.033 ( 0.956 -0.000 4.494) 4.595 23.182 ( 4.809 -0.000 -0.331) 4.820 ======================= Grid point 207 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 1.564 -5.329 -13.450) 14.551 1.426 ( 10.617 -12.766 -0.181) 16.605 1.873 ( 1.084 3.483 3.755) 5.235 2.028 ( 3.827 -4.929 2.461) 6.708 2.306 ( -3.895 7.077 -1.650) 8.245 2.453 ( 0.398 0.348 -1.330) 1.432 2.628 ( 2.284 0.454 1.610) 2.831 2.719 ( 11.080 -5.116 4.401) 12.973 3.031 ( 5.153 3.711 -2.108) 6.691 3.278 ( 3.012 -3.687 -8.648) 9.872 3.631 ( 4.424 7.103 -4.781) 9.637 3.704 ( 3.056 2.219 -3.033) 4.844 3.898 ( -7.779 6.617 5.578) 11.637 4.094 ( -0.056 -3.804 1.722) 4.176 4.231 ( 2.172 0.963 -1.812) 2.988 4.618 ( 10.796 -4.335 1.772) 11.768 4.754 ( 9.336 -1.669 -0.124) 9.485 4.972 ( 14.215 0.150 3.671) 14.682 5.226 ( -0.558 6.420 -5.985) 8.794 5.279 ( 11.852 -4.507 2.827) 12.992 5.435 ( 5.030 -1.163 -6.568) 8.354 5.648 ( -3.912 -10.235 -2.034) 11.144 6.198 ( -14.525 0.636 -6.411) 15.889 6.388 ( 0.895 9.781 9.757) 13.845 6.534 ( -7.093 0.297 -7.717) 10.486 6.799 ( -6.491 -3.108 -4.539) 8.509 6.824 ( -4.214 -6.310 9.547) 12.194 7.000 ( 3.181 -4.364 7.230) 9.024 7.154 ( -14.027 5.076 1.238) 14.969 7.332 ( -10.406 2.486 0.576) 10.714 7.782 ( -6.266 4.828 3.429) 8.621 7.811 ( -5.044 6.602 8.962) 12.221 7.932 ( -2.388 -2.850 0.097) 3.720 8.010 ( -8.260 -12.711 2.393) 15.347 8.424 ( 14.647 -0.564 -7.746) 16.579 8.554 ( -12.617 3.054 0.370) 12.986 8.699 ( 0.626 2.362 2.061) 3.196 8.808 ( -2.811 -5.201 -1.521) 6.104 8.882 ( -6.162 -1.016 -1.335) 6.386 9.015 ( -0.901 -4.919 -4.772) 6.912 9.322 ( -3.428 2.285 -1.871) 4.525 9.485 ( -0.506 5.638 2.415) 6.154 9.683 ( -2.054 8.907 1.313) 9.234 9.771 ( -1.187 1.707 -0.180) 2.087 9.959 ( 5.849 -5.645 0.816) 8.170 10.031 ( -3.890 -10.899 1.403) 11.657 10.333 ( 8.456 0.586 5.496) 10.103 10.518 ( -3.213 0.199 -3.322) 4.626 10.862 ( 2.954 1.508 8.669) 9.282 11.102 ( -1.980 4.677 1.179) 5.213 11.652 ( 5.023 5.165 -0.565) 7.227 11.814 ( 1.580 -2.070 3.330) 4.227 12.219 ( 6.263 -0.465 -6.384) 8.955 12.278 ( -2.289 -0.244 -0.489) 2.353 12.931 ( -7.511 -3.416 -4.879) 9.585 13.848 ( 0.613 -3.585 17.747) 18.116 14.199 ( -3.596 -4.613 -7.483) 9.498 14.786 ( 3.940 -5.085 -9.665) 11.610 15.393 ( 4.011 7.329 3.022) 8.884 15.432 ( 4.709 6.720 -3.466) 8.908 15.811 ( -4.456 10.965 -6.019) 13.278 16.246 ( -14.908 -8.863 2.303) 17.496 16.516 ( -0.961 -1.773 -2.880) 3.516 16.540 ( 4.752 -2.660 2.626) 6.046 16.763 ( -3.465 3.588 4.391) 6.646 18.164 ( -2.328 8.234 -2.753) 8.988 18.506 ( -8.008 -5.225 -0.380) 9.569 18.734 ( -4.923 10.375 -0.439) 11.492 19.071 ( 4.759 -4.676 -11.467) 13.267 19.137 ( -15.000 -6.577 -2.079) 16.510 19.713 ( 28.387 -4.221 34.341) 44.754 20.665 ( -0.695 11.771 0.901) 11.826 20.812 ( 2.171 -2.539 -2.402) 4.114 21.706 ( 13.927 -12.393 -12.444) 22.414 22.830 ( 0.508 -1.317 -6.717) 6.864 22.996 ( -2.396 1.288 2.632) 3.785 23.061 ( -1.596 -1.482 3.726) 4.316 23.242 ( 4.789 0.567 -0.486) 4.846 ======================= Grid point 208 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 9.759 -11.319 -6.029) 16.115 1.763 ( 9.626 -11.878 3.694) 15.729 1.866 ( -0.491 0.229 -0.213) 0.582 2.105 ( -1.905 7.936 -2.152) 8.440 2.154 ( 0.824 -2.499 -1.794) 3.185 2.434 ( 2.344 4.745 1.961) 5.644 2.669 ( 3.013 -0.651 5.056) 5.922 2.850 ( 4.703 3.602 -5.443) 8.045 3.019 ( -2.481 0.317 6.101) 6.593 3.288 ( 1.345 0.909 -9.088) 9.232 3.508 ( 1.715 6.416 -4.771) 8.177 3.665 ( 1.887 3.964 -3.102) 5.376 3.803 ( -3.501 1.088 5.089) 6.272 4.157 ( 2.872 -1.176 0.228) 3.112 4.277 ( 8.637 2.462 0.771) 9.014 4.790 ( 9.187 1.118 0.905) 9.299 4.907 ( 4.309 -0.197 -1.124) 4.458 5.062 ( 9.005 0.719 -0.815) 9.071 5.208 ( 5.018 1.665 1.154) 5.412 5.492 ( 7.931 -4.386 -5.287) 10.493 5.593 ( 10.349 -8.921 -1.296) 13.725 5.745 ( 0.399 -8.964 -3.886) 9.778 5.931 ( -15.199 3.309 1.911) 15.672 6.353 ( -1.091 5.023 1.958) 5.501 6.393 ( -1.025 -0.199 -0.545) 1.178 6.741 ( -8.635 9.632 5.630) 14.108 6.866 ( -14.007 -11.573 -9.416) 20.464 6.943 ( -4.077 -4.034 7.820) 9.698 7.108 ( -0.403 1.683 4.863) 5.161 7.239 ( -3.802 -3.348 7.225) 8.824 7.613 ( -6.106 5.899 -3.683) 9.255 7.681 ( -9.374 6.456 9.459) 14.800 7.979 ( 2.998 -4.809 -6.024) 8.271 8.144 ( -10.508 -14.406 9.657) 20.278 8.380 ( -7.908 -0.459 -4.601) 9.160 8.501 ( 3.515 -1.674 -4.703) 6.105 8.710 ( -10.794 -3.651 -3.401) 11.892 8.791 ( 9.489 2.869 0.553) 9.929 8.926 ( 2.719 -2.546 -0.933) 3.840 9.028 ( -1.072 -1.633 0.119) 1.957 9.223 ( -1.783 1.560 -0.064) 2.370 9.399 ( 0.803 9.600 0.448) 9.643 9.573 ( -2.256 -0.674 -4.080) 4.710 9.761 ( -0.757 -0.014 2.745) 2.847 10.111 ( 5.185 -4.640 -1.361) 7.090 10.137 ( -5.250 -8.982 1.592) 10.525 10.377 ( -2.386 2.533 4.136) 5.406 10.512 ( 6.371 0.744 -1.263) 6.537 10.902 ( 0.248 4.921 5.272) 7.216 11.012 ( 6.516 5.758 -1.151) 8.771 11.556 ( -1.719 4.851 -1.274) 5.301 11.952 ( 4.712 -1.517 7.060) 8.622 12.173 ( -2.682 -0.201 -12.292) 12.583 12.271 ( -0.564 -0.324 1.513) 1.648 12.954 ( -0.241 -4.107 5.060) 6.522 14.018 ( -2.596 -6.171 19.817) 20.917 14.213 ( 2.464 -5.314 -12.432) 13.743 14.870 ( 0.754 -7.608 -4.897) 9.079 15.164 ( -3.537 14.855 -5.603) 16.266 15.461 ( 5.914 5.969 3.167) 8.980 15.655 ( 1.896 3.323 -11.388) 12.014 16.113 ( -13.034 2.307 4.514) 13.986 16.513 ( -0.609 -1.974 -2.332) 3.115 16.687 ( -5.000 1.625 3.576) 6.358 16.763 ( 8.323 -13.462 0.137) 15.827 17.952 ( -8.340 8.085 -3.432) 12.113 18.408 ( 0.607 9.998 -1.989) 10.212 18.618 ( -7.505 -6.365 -0.561) 9.857 19.046 ( -10.444 -6.100 -3.203) 12.512 19.182 ( 5.467 -6.233 -8.220) 11.675 20.154 ( 17.224 8.653 22.920) 29.948 20.510 ( 1.221 9.859 2.552) 10.257 20.900 ( 4.397 -3.911 2.856) 6.542 21.944 ( 5.528 -10.498 -8.049) 14.337 22.831 ( 1.509 -2.395 -7.154) 7.694 22.964 ( -2.437 1.700 5.313) 6.088 23.079 ( -2.362 -2.063 2.786) 4.195 23.269 ( 2.497 1.373 -1.618) 3.277 ======================= Grid point 209 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 10.245 -11.175 -2.559) 15.375 1.765 ( -5.225 3.929 -4.517) 7.946 1.968 ( 5.938 3.805 5.347) 8.850 2.036 ( 0.024 -0.696 1.198) 1.386 2.170 ( 3.263 2.377 -0.914) 4.139 2.453 ( 8.567 3.043 3.323) 9.680 2.722 ( -1.013 -1.086 -1.696) 2.254 2.828 ( 2.185 3.394 1.092) 4.181 2.975 ( 3.096 1.506 0.800) 3.534 3.180 ( -6.088 2.729 -10.803) 12.697 3.494 ( -1.882 -1.161 6.891) 7.237 3.631 ( 2.615 2.690 -3.009) 4.809 3.788 ( -3.024 -0.029 5.345) 6.141 4.180 ( 5.126 3.175 -5.231) 7.982 4.364 ( 11.926 5.341 0.840) 13.095 4.806 ( 1.318 4.785 -3.835) 6.272 4.921 ( 2.411 1.195 6.008) 6.584 5.047 ( -1.535 3.223 -6.688) 7.581 5.319 ( 7.229 4.248 6.233) 10.448 5.523 ( -12.766 3.046 2.506) 13.361 5.696 ( -1.069 -6.472 -6.937) 9.547 5.786 ( 6.224 -5.098 3.145) 8.638 6.058 ( 14.472 -5.173 4.629) 16.051 6.209 ( -14.880 2.770 -8.852) 17.534 6.422 ( -2.884 2.678 4.017) 5.624 6.533 ( 4.767 -1.228 6.857) 8.441 6.903 ( -3.776 -6.104 2.052) 7.465 7.015 ( 2.440 0.859 -1.961) 3.246 7.099 ( -4.170 -12.456 -2.640) 13.398 7.309 ( -2.235 -1.338 1.231) 2.881 7.472 ( -7.807 0.543 1.975) 8.071 7.526 ( -2.900 4.904 5.075) 7.630 8.046 ( -0.168 -5.237 -7.080) 8.808 8.200 ( -12.235 -8.305 5.858) 15.906 8.246 ( -7.508 1.631 -5.549) 9.477 8.600 ( -2.541 -8.829 -1.091) 9.252 8.647 ( 4.515 -4.599 -4.757) 8.010 8.901 ( 4.435 -1.148 -1.683) 4.880 8.976 ( 2.611 0.857 4.150) 4.977 9.020 ( 2.223 0.342 1.106) 2.507 9.260 ( 4.995 2.083 -5.645) 7.820 9.275 ( 1.571 5.584 6.927) 9.036 9.563 ( -5.803 -5.516 -2.271) 8.322 9.775 ( -1.107 -1.133 3.490) 3.833 10.144 ( -7.668 -4.268 -2.206) 9.049 10.182 ( 2.548 0.981 -1.435) 3.084 10.309 ( -4.833 2.470 3.688) 6.562 10.548 ( 4.238 5.562 -4.187) 8.150 10.850 ( 5.031 3.822 2.125) 6.666 11.102 ( 14.117 3.463 1.156) 14.581 11.510 ( 1.409 0.983 1.621) 2.362 11.950 ( -6.943 2.088 1.511) 7.406 12.135 ( 2.002 -1.590 -9.882) 10.207 12.272 ( -3.270 -1.245 6.775) 7.625 13.049 ( 2.667 -1.675 7.717) 8.335 14.076 ( -3.713 -0.785 -7.309) 8.236 14.313 ( 0.901 -6.088 11.835) 13.339 14.909 ( -3.718 7.689 -5.116) 9.956 14.958 ( -1.382 -6.656 -1.380) 6.937 15.392 ( 0.360 8.399 -2.078) 8.660 15.637 ( 4.347 -1.636 -9.903) 10.939 15.954 ( -10.165 1.509 3.966) 11.015 16.532 ( 0.393 -2.199 -1.790) 2.863 16.634 ( -3.585 0.410 2.860) 4.604 17.104 ( 11.256 -15.215 -0.661) 18.937 17.745 ( -4.289 6.281 0.834) 7.651 18.290 ( 3.374 6.998 -1.735) 7.960 18.660 ( -3.812 -7.360 1.365) 8.400 18.959 ( -12.926 -4.437 -2.570) 13.906 19.257 ( 1.741 -2.453 -9.937) 10.382 20.208 ( 9.068 11.775 3.626) 15.298 20.447 ( 2.779 7.239 4.894) 9.170 21.039 ( 7.115 0.384 9.159) 11.605 22.043 ( -1.849 -4.964 -5.184) 7.411 22.860 ( 2.850 -2.735 -6.203) 7.354 22.951 ( -1.659 1.195 7.289) 7.571 23.087 ( -2.770 -1.622 2.106) 3.840 23.251 ( 0.221 1.603 -2.831) 3.261 ======================= Grid point 210 (103/114) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -0.303 7.808 -3.247) 8.462 1.760 ( -0.076 -3.308 -5.452) 6.378 1.992 ( 3.776 11.123 3.354) 12.216 2.038 ( 2.817 0.207 4.237) 5.092 2.128 ( -0.651 4.083 0.964) 4.246 2.537 ( 9.031 3.179 0.043) 9.574 2.739 ( -4.807 -2.972 -2.154) 6.048 2.820 ( 5.890 2.331 -0.317) 6.343 2.971 ( -3.994 3.150 -3.471) 6.159 3.101 ( 6.284 -5.014 -4.442) 9.185 3.507 ( -7.991 -2.108 10.732) 13.545 3.589 ( -4.425 1.309 0.127) 4.616 3.806 ( 4.112 0.560 4.313) 5.986 4.170 ( 4.538 1.369 -7.215) 8.633 4.411 ( 11.296 9.175 3.028) 14.865 4.717 ( 0.098 5.670 -3.768) 6.809 4.915 ( -3.550 5.394 7.088) 9.588 4.991 ( 6.067 3.721 -4.532) 8.437 5.196 ( -9.517 6.666 4.008) 12.291 5.398 ( -10.699 4.820 -1.433) 11.822 5.545 ( -11.190 7.099 6.535) 14.776 5.783 ( -12.976 3.651 -9.331) 16.394 6.161 ( 11.603 -7.701 3.762) 14.425 6.329 ( 13.574 -4.695 5.923) 15.536 6.542 ( 8.492 -5.916 5.022) 11.503 6.702 ( 7.080 -6.802 2.594) 10.154 6.906 ( -4.169 -0.497 -1.466) 4.447 6.991 ( -2.487 0.653 -3.510) 4.351 7.231 ( -9.752 -7.545 -4.659) 13.181 7.294 ( 7.764 -8.408 -10.571) 15.580 7.378 ( -3.276 -0.216 3.412) 4.735 7.604 ( 2.858 -4.802 7.868) 9.650 7.958 ( -13.654 -4.499 -5.308) 15.325 8.204 ( 1.845 -6.067 -7.628) 9.920 8.210 ( -3.206 0.237 5.373) 6.261 8.676 ( 6.486 -2.254 -1.920) 7.130 8.723 ( -7.052 0.104 -7.464) 10.269 8.897 ( 4.891 -5.179 1.098) 7.208 9.064 ( 2.501 0.198 2.906) 3.839 9.165 ( 4.211 -7.920 6.966) 11.357 9.215 ( 4.416 2.849 1.766) 5.545 9.324 ( 5.579 2.668 -1.472) 6.357 9.551 ( -3.310 -2.766 0.367) 4.329 9.786 ( -3.709 -1.459 1.588) 4.290 10.076 ( -5.683 -0.513 -1.522) 5.906 10.134 ( -1.319 4.742 -1.741) 5.221 10.242 ( -5.377 -0.025 3.474) 6.402 10.423 ( -2.080 8.116 -4.814) 9.663 10.926 ( 10.744 3.749 0.492) 11.390 11.225 ( 11.358 3.537 -3.207) 12.320 11.585 ( 6.193 -1.172 5.141) 8.134 11.832 ( -5.168 2.575 3.393) 6.697 12.086 ( -3.673 -1.282 -10.425) 11.127 12.287 ( -6.230 -2.242 6.818) 9.504 13.159 ( 6.393 0.316 9.491) 11.448 13.910 ( -5.203 4.125 -18.713) 19.856 14.472 ( -2.431 -2.352 24.742) 24.972 14.829 ( 0.368 -5.623 -10.066) 11.536 15.005 ( -3.029 -1.751 4.597) 5.777 15.247 ( -3.322 5.277 -7.692) 9.902 15.653 ( 1.585 -0.020 -0.984) 1.866 15.885 ( -5.614 -5.975 -3.972) 9.110 16.558 ( 0.322 -1.231 0.209) 1.290 16.616 ( -1.627 -1.150 0.292) 2.014 17.375 ( 14.228 2.960 1.138) 14.578 17.766 ( 2.289 -9.380 6.317) 11.538 18.301 ( 6.003 -2.511 -2.369) 6.925 18.701 ( -0.617 -0.140 -2.906) 2.974 18.840 ( -15.213 -6.698 1.294) 16.673 19.136 ( -10.369 3.610 -12.387) 16.553 20.180 ( 10.518 9.921 -0.569) 14.470 20.401 ( 0.791 4.627 1.515) 4.932 21.159 ( 11.214 5.649 9.224) 15.580 21.981 ( -8.821 1.266 -2.482) 9.250 22.903 ( 3.013 -1.548 -4.096) 5.316 22.969 ( -0.071 -0.018 6.496) 6.496 23.076 ( -2.890 -0.404 1.688) 3.371 23.204 ( -1.413 1.403 -3.184) 3.756 ======================= Grid point 211 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 5.645 5.061 1.725) 7.775 1.712 ( -3.510 0.832 -7.555) 8.372 1.833 ( -0.617 12.922 3.167) 13.319 1.968 ( -8.951 4.941 -1.562) 10.343 2.129 ( 9.286 4.883 3.571) 11.083 2.516 ( -12.372 8.290 -7.172) 16.529 2.674 ( 11.675 -1.674 -0.416) 11.802 2.859 ( 1.266 1.416 5.536) 5.852 2.959 ( 5.512 3.240 -3.451) 7.266 3.209 ( -3.488 -3.805 -1.837) 5.479 3.480 ( -9.644 -1.362 14.325) 17.323 3.516 ( -1.852 -0.721 -5.380) 5.735 3.936 ( 10.566 -1.968 3.550) 11.319 4.156 ( -0.486 -0.137 -4.316) 4.345 4.473 ( 10.408 4.923 6.159) 13.058 4.614 ( 2.224 6.409 -4.766) 8.291 4.736 ( -9.574 11.704 2.247) 15.287 4.917 ( -5.231 10.239 -3.925) 12.149 5.073 ( -0.318 0.953 1.706) 1.980 5.182 ( -5.593 0.223 1.411) 5.772 5.374 ( -3.984 4.800 4.303) 7.578 5.583 ( -10.716 -0.184 -6.318) 12.441 6.415 ( 11.761 -1.955 6.155) 13.418 6.580 ( 7.959 -5.203 6.657) 11.608 6.749 ( 6.561 -1.587 2.593) 7.232 6.761 ( -4.086 3.567 -7.030) 8.879 6.870 ( -2.609 -2.868 -5.024) 6.346 7.025 ( 7.065 -3.454 4.610) 9.116 7.155 ( -5.698 -6.991 -0.797) 9.054 7.385 ( -4.451 -6.941 -2.975) 8.765 7.523 ( 7.478 -10.763 -5.291) 14.134 7.706 ( -5.373 -7.121 -2.832) 9.360 7.952 ( 3.227 -3.427 9.674) 10.758 8.158 ( -2.733 1.942 -2.549) 4.211 8.294 ( 3.181 -4.027 -1.121) 5.253 8.532 ( -8.368 0.814 -9.597) 12.759 8.803 ( 10.696 1.284 -1.848) 10.930 9.034 ( -5.362 0.207 3.306) 6.303 9.059 ( 1.986 -0.992 7.775) 8.086 9.195 ( 0.404 0.351 -2.834) 2.884 9.359 ( 6.186 -2.874 2.101) 7.137 9.448 ( 7.693 -6.953 0.143) 10.370 9.578 ( 2.606 -2.294 -1.653) 3.845 9.729 ( -5.089 -0.638 -0.998) 5.225 10.004 ( 2.570 8.752 3.221) 9.674 10.062 ( -2.490 -2.845 -4.280) 5.711 10.209 ( -8.538 -3.174 3.036) 9.602 10.239 ( -6.345 6.449 -1.494) 9.170 10.978 ( 10.436 7.122 -2.694) 12.919 11.180 ( -2.840 8.568 -3.032) 9.522 11.687 ( 4.463 0.787 9.543) 10.564 11.877 ( 9.045 -0.368 -3.238) 9.614 11.994 ( -5.115 -2.921 -4.751) 7.568 12.226 ( -10.575 -0.758 2.409) 10.872 13.313 ( 8.971 0.207 11.856) 14.869 13.677 ( -6.799 3.113 -16.512) 18.127 14.601 ( 4.215 1.030 17.972) 18.489 14.906 ( -5.017 -7.349 -10.286) 13.601 14.979 ( -0.796 0.004 6.756) 6.803 15.103 ( -4.405 -0.734 -7.836) 9.019 15.726 ( 2.488 -5.640 6.990) 9.319 15.909 ( -4.557 -10.286 -8.896) 14.343 16.579 ( 0.858 -0.385 1.123) 1.465 16.617 ( -0.836 -1.142 -1.423) 2.007 17.476 ( 20.699 13.589 6.835) 25.687 17.948 ( -5.329 -7.280 0.840) 9.061 18.463 ( 4.986 -6.776 -8.601) 12.032 18.582 ( -5.783 4.258 -6.470) 9.666 18.758 ( -9.365 2.340 4.258) 10.550 18.898 ( -9.766 -6.510 -3.366) 12.210 20.195 ( 11.034 5.657 -0.270) 12.403 20.361 ( -2.649 -0.501 -0.808) 2.814 21.268 ( 16.885 10.225 6.532) 20.792 21.754 ( -15.747 8.072 -0.202) 17.696 22.930 ( 2.573 0.611 -0.931) 2.804 22.997 ( -2.069 -0.630 1.550) 2.661 23.060 ( 0.516 0.622 2.674) 2.794 23.147 ( -2.294 0.883 -2.714) 3.662 ======================= Grid point 212 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 2.657 8.594 -6.759) 11.252 1.542 ( -2.657 8.594 6.759) 11.252 1.778 ( 12.186 -0.023 -11.326) 16.637 1.778 ( -12.186 -0.023 11.326) 16.637 2.221 ( -7.408 4.941 -6.324) 10.922 2.221 ( 7.408 4.941 6.324) 10.922 2.801 ( 2.097 1.873 -7.179) 7.710 2.801 ( -2.097 1.873 7.179) 7.710 3.033 ( -10.161 5.299 -9.801) 15.079 3.033 ( 10.161 5.299 9.801) 15.079 3.485 ( 4.833 0.385 -16.799) 17.485 3.485 ( -4.833 0.385 16.799) 17.485 4.119 ( -5.391 -3.438 -4.049) 7.568 4.119 ( 5.391 -3.438 4.049) 7.568 4.503 ( 4.508 6.004 -5.213) 9.140 4.503 ( -4.508 6.004 5.213) 9.140 4.627 ( -10.902 5.881 -4.758) 13.269 4.627 ( 10.902 5.881 4.758) 13.269 5.155 ( -3.855 -2.147 -1.290) 4.597 5.155 ( 3.855 -2.147 1.290) 4.597 5.434 ( -8.047 -4.185 -10.046) 13.535 5.434 ( 8.047 -4.185 10.046) 13.535 6.548 ( -5.621 7.711 -10.146) 13.928 6.548 ( 5.621 7.711 10.146) 13.928 6.742 ( 0.697 -2.831 -7.974) 8.490 6.742 ( -0.697 -2.831 7.974) 8.490 6.966 ( -5.043 0.865 -4.059) 6.531 6.966 ( 5.043 0.865 4.059) 6.531 7.403 ( -6.639 -9.974 -6.125) 13.456 7.403 ( 6.639 -9.974 6.125) 13.456 7.718 ( -5.629 -6.649 1.260) 8.803 7.718 ( 5.629 -6.649 -1.260) 8.803 8.061 ( -0.361 2.826 -1.753) 3.345 8.061 ( 0.361 2.826 1.753) 3.345 8.429 ( -7.708 -5.041 -8.008) 12.205 8.429 ( 7.708 -5.041 8.008) 12.205 8.876 ( -8.936 4.843 1.194) 10.234 8.876 ( 8.936 4.843 -1.194) 10.234 9.166 ( -1.050 -0.097 -5.499) 5.599 9.166 ( 1.050 -0.097 5.499) 5.599 9.467 ( -3.753 -1.058 -6.711) 7.761 9.467 ( 3.753 -1.058 6.711) 7.761 9.750 ( 2.564 -8.196 -1.782) 8.771 9.750 ( -2.564 -8.196 1.782) 8.771 9.975 ( -7.689 6.148 -4.440) 10.800 9.975 ( 7.689 6.148 4.440) 10.800 10.167 ( 2.260 -3.216 -3.057) 4.979 10.167 ( -2.260 -3.216 3.057) 4.979 10.952 ( 4.596 10.246 -4.535) 12.110 10.952 ( -4.596 10.246 4.535) 12.110 11.815 ( -6.843 -0.567 -7.425) 10.113 11.815 ( 6.843 -0.567 7.425) 10.113 12.095 ( -8.723 0.065 -2.095) 8.971 12.095 ( 8.723 0.065 2.095) 8.971 13.484 ( -7.019 0.529 -13.248) 15.002 13.484 ( 7.019 0.529 13.248) 15.002 14.731 ( -0.134 4.695 -14.148) 14.907 14.731 ( 0.134 4.695 14.148) 14.907 15.116 ( 2.735 -9.597 -7.616) 12.553 15.116 ( -2.735 -9.597 7.616) 12.553 15.958 ( 0.305 -13.006 -15.686) 20.379 15.958 ( -0.305 -13.006 15.686) 20.379 16.605 ( -0.236 -0.036 -2.227) 2.240 16.605 ( 0.236 -0.036 2.227) 2.240 17.622 ( -26.206 15.523 -13.466) 33.302 17.622 ( 26.206 15.523 13.466) 33.302 18.433 ( -2.640 3.186 -6.533) 7.733 18.433 ( 2.640 3.186 6.533) 7.733 18.911 ( 1.419 -9.300 -8.379) 12.598 18.911 ( -1.419 -9.300 8.379) 12.598 20.333 ( -6.216 -6.641 -3.322) 9.684 20.333 ( 6.216 -6.641 3.322) 9.684 21.347 ( -9.669 15.595 -9.142) 20.500 21.347 ( 9.669 15.595 9.142) 20.500 22.949 ( -0.549 1.417 -3.120) 3.471 22.949 ( 0.549 1.417 3.120) 3.471 23.097 ( -2.476 0.021 -1.953) 3.153 23.097 ( 2.476 0.021 1.953) 3.153 ======================= Grid point 216 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 10.523 -0.000 -4.585) 11.479 1.512 ( 18.323 -0.000 -3.304) 18.618 1.938 ( 2.981 -0.000 -8.128) 8.657 2.026 ( -0.443 0.000 9.076) 9.087 2.227 ( -6.224 0.000 -7.997) 10.133 2.519 ( 6.648 -0.000 5.625) 8.708 2.747 ( 8.840 -0.000 -0.685) 8.866 2.787 ( -0.429 0.000 14.614) 14.620 3.134 ( 3.240 -0.000 -3.206) 4.559 3.186 ( 0.719 -0.000 -13.675) 13.694 3.698 ( 1.981 -0.000 -14.322) 14.459 3.758 ( 4.571 -0.000 -2.062) 5.015 3.871 ( -9.402 0.000 12.410) 15.569 4.060 ( 2.452 -0.000 -5.273) 5.815 4.343 ( 11.266 -0.000 5.888) 12.712 4.784 ( 13.898 -0.000 5.476) 14.938 4.858 ( 9.466 -0.000 -1.025) 9.521 5.170 ( 1.794 -0.000 -1.227) 2.173 5.279 ( 14.593 -0.000 -0.496) 14.602 5.380 ( 1.855 -0.000 -5.020) 5.352 5.419 ( 12.018 -0.000 3.917) 12.640 5.580 ( 6.085 -0.000 -6.225) 8.704 5.984 ( -13.872 0.000 -6.950) 15.516 6.369 ( -9.627 0.000 -9.918) 13.822 6.540 ( -13.946 0.000 -9.992) 17.156 6.547 ( -4.308 0.000 14.740) 15.357 6.818 ( -1.501 0.000 10.133) 10.244 7.042 ( 3.510 -0.000 6.362) 7.266 7.104 ( -7.593 0.000 6.475) 9.979 7.195 ( -15.002 0.000 5.082) 15.839 7.733 ( -13.644 0.000 -0.414) 13.650 7.779 ( -8.940 0.000 10.434) 13.740 7.833 ( -2.835 0.000 -4.330) 5.176 7.875 ( -4.019 0.000 6.629) 7.753 8.399 ( -14.601 0.000 2.012) 14.739 8.520 ( 8.468 -0.000 -9.977) 13.086 8.647 ( -10.928 0.000 -5.632) 12.294 8.816 ( 0.770 -0.000 -6.072) 6.121 8.818 ( 11.893 -0.000 2.804) 12.219 9.021 ( 5.062 -0.000 0.548) 5.091 9.292 ( -2.539 0.000 -3.504) 4.327 9.492 ( -7.255 0.000 2.164) 7.571 9.692 ( -9.040 0.000 -5.040) 10.351 9.793 ( -2.633 0.000 7.095) 7.568 9.940 ( 2.714 -0.000 -0.482) 2.756 9.945 ( 4.447 -0.000 2.211) 4.967 10.453 ( -2.311 0.000 -0.275) 2.328 10.480 ( 8.896 -0.000 2.496) 9.240 10.984 ( 5.450 -0.000 9.855) 11.261 11.112 ( -1.170 0.000 -1.512) 1.912 11.714 ( -5.845 0.000 0.883) 5.911 11.893 ( 8.939 -0.000 8.755) 12.512 12.156 ( -8.028 0.000 -12.953) 15.239 12.244 ( 4.421 -0.000 -9.357) 10.349 12.903 ( 3.948 -0.000 11.275) 11.947 13.906 ( -1.767 0.000 17.603) 17.692 14.114 ( 0.871 -0.000 -6.083) 6.145 14.736 ( 2.523 -0.000 -10.190) 10.498 15.480 ( -2.743 0.000 -7.257) 7.758 15.533 ( 8.919 -0.000 -1.992) 9.139 15.795 ( -5.894 0.000 -18.997) 19.890 15.985 ( -11.263 0.000 15.863) 19.455 16.482 ( -1.519 0.000 -0.422) 1.576 16.579 ( 2.036 -0.000 0.552) 2.110 16.783 ( -3.288 0.000 4.665) 5.707 18.123 ( -24.951 0.000 -11.848) 27.621 18.284 ( 3.242 -0.000 4.213) 5.316 18.788 ( -2.807 0.000 -0.807) 2.921 18.894 ( -5.168 0.000 -8.739) 10.153 19.043 ( 7.991 -0.000 -8.890) 11.954 20.313 ( 24.805 -0.000 42.045) 48.817 20.751 ( 2.714 -0.000 -7.370) 7.854 20.811 ( -2.551 0.000 9.893) 10.217 21.702 ( 13.018 -0.000 -16.901) 21.333 22.793 ( 1.626 -0.000 -7.740) 7.909 23.001 ( -1.396 0.000 3.381) 3.658 23.032 ( -4.017 0.000 4.511) 6.041 23.292 ( 2.633 -0.000 -1.272) 2.924 ======================= Grid point 217 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 14.507 -4.363 3.880) 15.638 1.750 ( 8.405 -4.748 -12.154) 15.521 1.891 ( 4.585 -0.680 2.165) 5.116 2.063 ( -4.108 -0.366 3.491) 5.403 2.221 ( 10.537 -0.364 -2.877) 10.929 2.608 ( 6.407 6.732 9.412) 13.227 2.769 ( 2.231 3.196 7.586) 8.529 2.922 ( 3.665 -3.989 2.957) 6.172 3.010 ( -3.682 6.163 -6.086) 9.412 3.182 ( -1.809 -3.544 -14.221) 14.767 3.570 ( -8.500 4.958 4.439) 10.795 3.735 ( 0.621 3.404 -4.765) 5.889 3.842 ( 4.288 4.716 -0.823) 6.427 4.131 ( 5.803 -6.375 -7.843) 11.655 4.525 ( 14.627 4.553 8.988) 17.761 4.937 ( 4.105 0.150 5.898) 7.188 4.955 ( 5.912 1.570 -1.864) 6.395 5.100 ( -0.446 2.035 -5.510) 5.891 5.438 ( 13.043 3.103 4.645) 14.189 5.481 ( 10.492 0.263 -6.794) 12.502 5.619 ( 8.642 -2.806 3.167) 9.622 5.696 ( 5.598 -0.594 -7.179) 9.123 5.820 ( -1.305 -6.674 1.859) 7.050 6.177 ( -12.718 -1.780 -11.127) 16.992 6.398 ( -8.767 -7.428 -5.802) 12.872 6.565 ( -5.525 -4.150 7.739) 10.375 6.814 ( -4.801 7.219 9.461) 12.833 6.910 ( -8.865 5.052 7.673) 12.767 7.108 ( -4.442 -1.558 1.480) 4.934 7.185 ( -1.355 -5.042 10.322) 11.568 7.532 ( -13.593 1.955 0.691) 13.751 7.690 ( -6.747 4.944 -0.257) 8.368 7.817 ( -9.493 -9.776 3.983) 14.197 7.924 ( 0.224 -4.991 -0.884) 5.074 8.264 ( -9.016 -0.662 5.289) 10.473 8.466 ( -8.144 0.247 -5.390) 9.769 8.581 ( 4.410 -2.537 -6.860) 8.540 8.830 ( 2.418 -2.809 -5.050) 6.265 8.984 ( 7.099 -1.023 0.284) 7.178 9.064 ( 3.412 2.143 0.060) 4.030 9.223 ( -0.973 1.234 -1.347) 2.070 9.405 ( -7.543 -0.748 2.642) 8.027 9.511 ( -8.023 2.109 -8.497) 11.875 9.783 ( -2.345 0.300 4.335) 4.938 9.972 ( -2.272 -2.785 3.698) 5.157 10.090 ( 4.782 -5.894 -0.190) 7.592 10.437 ( 3.046 3.523 1.201) 4.810 10.605 ( 8.206 -0.596 0.414) 8.238 11.033 ( 2.540 6.220 3.001) 7.358 11.141 ( 5.794 -1.249 3.089) 6.684 11.612 ( -1.767 5.245 1.321) 5.690 11.983 ( -5.669 0.292 1.415) 5.850 12.060 ( 0.542 -4.913 -2.954) 5.759 12.224 ( 0.403 -0.100 -10.312) 10.321 13.064 ( 8.612 2.206 17.801) 19.898 13.994 ( -4.492 -3.326 16.037) 16.983 14.138 ( 4.070 -4.052 -6.620) 8.764 14.741 ( 0.231 -5.620 -9.352) 10.913 15.245 ( -9.123 11.912 -8.267) 17.131 15.580 ( 0.047 -2.650 -19.933) 20.109 15.650 ( 3.709 6.261 -0.326) 7.285 15.978 ( -8.613 -1.219 11.660) 14.547 16.476 ( -0.432 -1.251 -0.492) 1.412 16.609 ( -3.180 -2.590 1.920) 4.529 16.793 ( 4.890 -2.547 2.254) 5.956 17.780 ( -18.764 -2.454 -9.437) 21.146 18.404 ( -0.911 -6.458 7.048) 9.603 18.632 ( 2.577 12.746 -4.850) 13.879 18.865 ( -3.653 -3.751 -5.488) 7.585 19.153 ( 8.439 -3.980 -7.326) 11.863 20.581 ( 3.468 11.093 14.426) 18.525 20.680 ( 3.313 7.315 0.232) 8.033 20.973 ( 8.801 -4.134 20.542) 22.727 21.813 ( 6.446 -8.146 -14.806) 18.087 22.793 ( 3.252 -1.415 -6.945) 7.798 22.983 ( -3.057 1.218 5.667) 6.553 23.031 ( -2.642 -2.004 3.710) 4.976 23.290 ( 0.043 0.810 -3.142) 3.245 ======================= Grid point 218 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 10.898 -5.703 4.724) 13.175 1.716 ( 0.827 -0.646 -10.327) 10.380 2.022 ( -1.395 0.583 4.353) 4.608 2.115 ( 9.354 -3.102 3.454) 10.443 2.318 ( 7.861 6.775 3.180) 10.854 2.656 ( 10.062 4.296 4.509) 11.834 2.730 ( 0.196 6.126 -5.006) 7.914 2.858 ( -7.867 2.675 6.759) 10.711 3.041 ( 7.471 -1.959 -1.892) 7.951 3.076 ( -3.427 1.509 -14.745) 15.213 3.459 ( -8.926 0.677 11.176) 14.319 3.653 ( -4.715 2.305 -1.446) 5.443 3.847 ( 6.849 2.700 -0.503) 7.379 4.210 ( 4.500 -1.125 -12.915) 13.723 4.667 ( 14.138 6.596 5.204) 16.446 4.920 ( 5.039 7.997 -4.653) 10.536 4.981 ( -2.443 0.626 11.825) 12.091 5.075 ( 5.190 1.101 -7.863) 9.486 5.426 ( -8.497 7.023 0.007) 11.024 5.553 ( 5.861 6.945 5.199) 10.470 5.626 ( 3.661 1.243 -1.407) 4.114 5.807 ( 4.160 -3.304 1.708) 5.580 5.978 ( -9.973 -4.788 -9.438) 14.542 6.133 ( 12.262 -10.108 1.240) 15.940 6.404 ( -2.647 -5.429 -0.037) 6.040 6.593 ( -1.562 0.733 9.896) 10.045 6.746 ( -1.247 -10.162 -4.302) 11.105 6.885 ( -6.913 -2.587 10.953) 13.208 7.084 ( 2.246 1.926 -1.352) 3.253 7.252 ( -4.886 -2.487 3.715) 6.623 7.365 ( -10.075 0.284 0.236) 10.082 7.532 ( -8.590 0.445 -4.441) 9.680 7.794 ( -10.807 -5.100 -0.524) 11.962 7.996 ( 0.555 -6.819 -4.792) 8.353 8.248 ( -2.463 -0.324 8.592) 8.944 8.425 ( -3.569 -6.434 1.580) 7.526 8.658 ( 6.280 -3.571 -5.703) 9.204 8.879 ( 0.850 -2.795 -3.933) 4.899 9.001 ( -0.875 -1.277 1.230) 1.977 9.088 ( 3.896 -0.268 -1.014) 4.034 9.248 ( -3.200 -1.931 -3.436) 5.077 9.321 ( -4.063 0.092 3.273) 5.218 9.429 ( 0.382 -3.398 -5.271) 6.283 9.771 ( -4.771 -1.071 4.168) 6.425 9.984 ( -2.541 -1.265 2.635) 3.873 10.179 ( -0.304 -1.905 -0.703) 2.053 10.427 ( 6.216 7.230 0.836) 9.572 10.657 ( 2.820 5.048 -1.997) 6.118 11.022 ( 8.391 4.098 1.817) 9.513 11.254 ( 5.853 -1.668 0.889) 6.151 11.591 ( 5.302 2.113 4.057) 7.003 11.896 ( -5.451 1.101 -0.058) 5.562 12.097 ( -1.180 0.238 -5.060) 5.201 12.165 ( -6.675 -3.931 -1.680) 7.927 13.225 ( 10.000 5.027 17.218) 20.536 13.988 ( -4.865 1.391 -4.073) 6.496 14.280 ( 1.657 -8.640 9.125) 12.675 14.769 ( -4.095 -7.044 -14.329) 16.483 14.968 ( -4.861 6.692 3.467) 8.968 15.411 ( -6.860 1.862 -16.911) 18.344 15.664 ( 7.793 4.011 -3.378) 9.393 15.907 ( -7.326 4.326 8.312) 11.894 16.499 ( 0.829 -2.166 -1.209) 2.616 16.588 ( -4.689 -1.128 3.011) 5.685 17.040 ( 11.872 -14.069 -0.575) 18.418 17.624 ( -12.042 -7.581 -2.899) 14.522 18.419 ( -1.613 3.528 -2.083) 4.403 18.571 ( 1.769 0.092 5.842) 6.105 18.820 ( -0.869 2.092 -4.174) 4.749 19.211 ( 1.285 0.758 -8.384) 8.516 20.478 ( 3.849 10.963 2.253) 11.836 20.615 ( 1.412 7.939 1.493) 8.200 21.232 ( 9.343 0.126 19.125) 21.285 21.885 ( -1.602 -6.666 -11.405) 13.307 22.837 ( 4.524 -2.292 -5.633) 7.580 22.968 ( -3.726 -0.294 6.917) 7.862 23.050 ( -1.223 -1.180 3.793) 4.157 23.243 ( -1.472 1.081 -4.753) 5.092 ======================= Grid point 219 (109/114) ======================= q-point: (-0.38 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 4.725 4.693 -1.794) 6.897 1.743 ( 2.675 0.846 -3.435) 4.435 2.037 ( -1.588 0.193 6.489) 6.683 2.164 ( -3.218 5.434 -3.596) 7.267 2.305 ( 9.730 7.542 8.062) 14.716 2.603 ( -4.993 0.256 -8.802) 10.123 2.732 ( 5.716 6.436 6.913) 11.040 2.886 ( 5.816 -1.300 -2.780) 6.576 2.946 ( -1.932 0.495 0.250) 2.010 3.098 ( 2.867 -1.687 -10.121) 10.653 3.431 ( -7.193 -0.942 14.361) 16.089 3.542 ( -5.874 1.674 -2.146) 6.474 3.943 ( 10.240 0.819 2.694) 10.620 4.167 ( -0.500 0.595 -9.078) 9.111 4.723 ( 8.037 8.407 2.745) 11.950 4.843 ( 5.793 8.289 -5.754) 11.635 5.001 ( 0.398 4.345 8.739) 9.768 5.097 ( 6.709 1.681 -6.799) 9.699 5.204 ( -7.447 8.575 6.112) 12.898 5.367 ( -11.635 14.920 -2.605) 19.099 5.574 ( -5.319 6.823 6.567) 10.861 5.659 ( -5.867 3.755 -7.912) 10.541 6.188 ( 10.800 -12.008 3.861) 16.606 6.362 ( 1.873 -9.206 1.916) 9.588 6.573 ( 9.818 -9.780 2.117) 14.019 6.691 ( 1.808 -5.287 5.750) 8.018 6.864 ( -4.132 2.070 6.755) 8.184 6.893 ( -3.990 -12.352 -1.972) 13.130 7.049 ( 0.754 4.230 -5.726) 7.159 7.246 ( 0.542 -3.509 -4.285) 5.565 7.270 ( -5.187 -4.461 -4.080) 7.965 7.437 ( -11.922 -9.940 -6.530) 16.840 7.826 ( 2.031 -4.197 13.106) 13.911 8.067 ( -0.582 -7.937 -11.180) 13.723 8.265 ( 1.178 2.212 7.293) 7.711 8.468 ( -8.706 -5.974 -2.187) 10.783 8.787 ( 10.902 -3.091 -3.150) 11.761 8.916 ( 5.269 -2.697 -2.880) 6.582 9.026 ( -4.658 -3.732 2.364) 6.419 9.143 ( -11.828 -1.547 3.894) 12.549 9.209 ( 7.944 -6.268 -1.451) 10.223 9.346 ( -2.073 -3.988 0.621) 4.538 9.508 ( 7.888 -2.449 -4.681) 9.494 9.723 ( -9.385 -1.401 4.175) 10.367 9.993 ( 1.691 0.395 1.808) 2.507 10.133 ( -5.045 1.702 -0.961) 5.410 10.384 ( 5.993 10.645 1.075) 12.263 10.520 ( -2.381 10.694 -2.769) 11.301 11.125 ( 10.926 2.451 1.421) 11.287 11.309 ( 0.354 0.379 -2.664) 2.714 11.720 ( 9.817 -0.135 6.434) 11.738 11.845 ( 0.024 -0.140 4.717) 4.719 11.987 ( -2.483 2.756 -12.783) 13.311 12.128 ( -12.591 -5.161 3.672) 14.094 13.372 ( 10.708 4.766 15.259) 19.240 13.796 ( -8.045 5.219 -15.284) 18.044 14.485 ( -2.091 -8.141 21.214) 22.819 14.688 ( -0.976 -4.564 -19.125) 19.687 14.989 ( -0.197 -1.752 11.559) 11.693 15.211 ( -5.234 3.105 -14.066) 15.325 15.683 ( 5.895 1.854 -5.697) 8.405 15.786 ( -6.828 3.402 4.763) 8.993 16.540 ( 1.429 -2.219 -1.376) 2.977 16.574 ( -2.871 -1.637 2.186) 3.963 17.424 ( 12.974 -16.132 -1.790) 20.779 17.650 ( -6.818 -11.598 3.569) 13.918 18.380 ( 5.959 2.550 -1.836) 6.736 18.590 ( -9.987 -4.741 2.077) 11.249 18.767 ( 6.022 7.229 0.869) 9.449 19.049 ( -8.392 8.133 -8.583) 14.499 20.414 ( 6.121 8.631 0.051) 10.581 20.506 ( -1.174 8.111 0.688) 8.224 21.433 ( 12.035 2.002 12.561) 17.511 21.827 ( -9.073 -1.994 -8.372) 12.505 22.901 ( 4.678 -2.066 -4.721) 6.960 22.967 ( -4.244 -1.397 5.863) 7.371 23.076 ( 0.615 0.165 4.680) 4.723 23.178 ( -1.997 0.981 -5.240) 5.692 ======================= Grid point 220 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -4.702 5.112 -3.687) 7.863 1.657 ( 4.702 5.112 3.687) 7.863 1.996 ( -0.204 7.779 -5.526) 9.544 1.996 ( 0.204 7.779 5.526) 9.544 2.410 ( -12.982 5.771 -7.039) 15.855 2.410 ( 12.982 5.771 7.039) 15.855 2.794 ( 2.589 0.461 -12.620) 12.891 2.794 ( -2.589 0.461 12.620) 12.891 3.087 ( 1.142 -3.078 -9.553) 10.102 3.087 ( -1.142 -3.078 9.553) 10.102 3.458 ( 1.169 -0.410 -10.487) 10.560 3.458 ( -1.169 -0.410 10.487) 10.560 4.075 ( -8.503 0.319 -2.955) 9.007 4.075 ( 8.503 0.319 2.955) 9.007 4.704 ( -3.896 8.696 -5.791) 11.151 4.704 ( 3.896 8.696 5.791) 11.151 4.945 ( -10.007 14.249 -6.129) 18.459 4.945 ( 10.007 14.249 6.129) 18.459 5.126 ( 5.226 0.527 -5.558) 7.647 5.126 ( -5.226 0.527 5.558) 7.647 5.489 ( -2.349 5.896 -6.742) 9.260 5.489 ( 2.349 5.896 6.742) 9.260 6.487 ( -5.749 -9.886 -3.681) 12.013 6.487 ( 5.749 -9.886 3.681) 12.013 6.754 ( -1.038 0.531 -5.785) 5.901 6.754 ( 1.038 0.531 5.785) 5.901 6.889 ( -9.198 -5.439 -7.788) 13.222 6.889 ( 9.198 -5.439 7.788) 13.222 7.156 ( -11.444 -5.067 -6.877) 14.280 7.156 ( 11.444 -5.067 6.877) 14.280 7.448 ( 0.450 -10.861 -5.447) 12.159 7.448 ( -0.450 -10.861 5.447) 12.159 8.043 ( -4.617 -4.702 -17.233) 18.450 8.043 ( 4.617 -4.702 17.233) 18.450 8.355 ( -8.811 -0.792 -7.350) 11.501 8.355 ( 8.811 -0.792 7.350) 11.501 8.948 ( -7.452 -0.328 1.070) 7.535 8.948 ( 7.452 -0.328 -1.070) 7.535 9.083 ( -4.235 -5.205 -4.013) 7.818 9.083 ( 4.235 -5.205 4.013) 7.818 9.384 ( -2.781 -5.854 -0.273) 6.486 9.384 ( 2.781 -5.854 0.273) 6.486 9.625 ( 9.898 -0.472 -5.681) 11.422 9.625 ( -9.898 -0.472 5.681) 11.422 10.040 ( 2.599 -0.021 -6.151) 6.678 10.040 ( -2.599 -0.021 6.151) 6.678 10.297 ( -2.892 11.307 -3.143) 12.087 10.297 ( 2.892 11.307 3.143) 12.087 11.199 ( -7.686 5.666 -1.901) 9.736 11.199 ( 7.686 5.666 1.901) 9.736 11.830 ( -4.089 1.560 -13.476) 14.169 11.830 ( 4.089 1.560 13.476) 14.169 12.028 ( -12.686 -4.154 -0.844) 13.376 12.028 ( 12.686 -4.154 0.844) 13.376 13.528 ( -9.807 3.263 -15.038) 18.248 13.528 ( 9.807 3.263 15.038) 18.248 14.683 ( 2.614 -6.976 -23.701) 24.844 14.683 ( -2.614 -6.976 23.701) 24.844 15.050 ( -0.644 3.185 -12.250) 12.673 15.050 ( 0.644 3.185 12.250) 12.673 15.727 ( 3.555 -2.961 -12.009) 12.869 15.727 ( -3.555 -2.961 12.009) 12.869 16.580 ( 1.091 -1.611 -2.787) 3.399 16.580 ( -1.091 -1.611 2.787) 3.399 17.743 ( -6.600 -8.470 -0.886) 10.774 17.743 ( 6.600 -8.470 0.886) 10.774 18.492 ( -9.388 -1.879 -0.202) 9.576 18.492 ( 9.388 -1.879 0.202) 9.576 18.772 ( -1.548 5.717 -10.727) 12.254 18.772 ( 1.548 5.717 10.727) 12.254 20.369 ( -3.514 6.617 -0.369) 7.501 20.369 ( 3.514 6.617 0.369) 7.501 21.619 ( -7.124 3.924 -13.519) 15.777 21.619 ( 7.124 3.924 13.519) 15.777 22.957 ( 3.715 -1.060 -5.632) 6.830 22.957 ( -3.715 -1.060 5.632) 6.830 23.112 ( -1.869 0.872 -4.806) 5.230 23.112 ( 1.869 0.872 4.806) 5.230 ======================= Grid point 226 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 7.864 -0.000 12.226) 14.537 1.682 ( 2.197 -0.000 -19.457) 19.580 2.011 ( 14.219 -0.000 -1.255) 14.275 2.093 ( -0.163 0.000 14.351) 14.352 2.374 ( 16.283 -0.000 -2.225) 16.435 2.803 ( -5.473 0.000 18.517) 19.309 2.860 ( 3.798 -0.000 6.156) 7.234 2.901 ( 3.744 -0.000 -3.787) 5.325 2.971 ( -5.298 0.000 -7.199) 8.938 3.073 ( 3.804 -0.000 -14.608) 15.096 3.517 ( -9.547 0.000 8.757) 12.955 3.684 ( -8.005 0.000 -1.570) 8.158 3.993 ( 9.951 -0.000 -8.244) 12.923 4.054 ( 4.689 -0.000 -14.286) 15.036 4.800 ( 11.903 -0.000 11.948) 16.865 4.941 ( -2.567 0.000 8.588) 8.963 5.076 ( -1.967 0.000 0.290) 1.988 5.087 ( 9.234 -0.000 -3.432) 9.851 5.520 ( 0.752 -0.000 -4.921) 4.978 5.685 ( 3.150 -0.000 -10.130) 10.609 5.732 ( 3.598 -0.000 5.559) 6.622 5.776 ( 12.095 -0.000 -0.619) 12.111 5.793 ( 14.030 -0.000 -0.480) 14.039 5.982 ( 3.722 -0.000 -11.238) 11.839 6.200 ( -5.822 0.000 -2.861) 6.487 6.464 ( -11.958 0.000 7.245) 13.982 6.867 ( -15.335 0.000 9.102) 17.833 6.900 ( -0.499 0.000 9.570) 9.583 7.028 ( 0.701 -0.000 -1.706) 1.844 7.171 ( -4.872 0.000 9.080) 10.305 7.379 ( -12.032 0.000 0.898) 12.065 7.537 ( -14.816 0.000 -2.349) 15.001 7.756 ( 1.229 -0.000 -5.453) 5.590 7.884 ( -2.602 0.000 3.960) 4.738 8.226 ( -0.668 0.000 9.318) 9.342 8.356 ( -5.608 0.000 3.827) 6.790 8.570 ( 3.307 -0.000 -10.436) 10.948 8.814 ( 2.449 -0.000 -3.211) 4.038 8.996 ( -4.227 0.000 -4.592) 6.241 9.076 ( -3.835 0.000 -3.915) 5.480 9.229 ( 2.387 -0.000 -1.242) 2.690 9.314 ( -7.866 0.000 5.973) 9.877 9.389 ( -0.407 0.000 -9.847) 9.855 9.721 ( -8.109 0.000 4.923) 9.487 10.030 ( 3.599 -0.000 3.330) 4.903 10.098 ( 3.992 -0.000 1.106) 4.142 10.541 ( 7.635 -0.000 -0.286) 7.641 10.698 ( 6.181 -0.000 0.676) 6.218 11.137 ( 4.280 -0.000 -2.771) 5.098 11.178 ( 0.131 -0.000 8.090) 8.091 11.657 ( 0.322 -0.000 5.373) 5.383 11.875 ( -1.728 0.000 -10.113) 10.259 12.050 ( -4.224 0.000 10.714) 11.517 12.167 ( 0.446 -0.000 -14.423) 14.430 13.346 ( 12.250 -0.000 24.030) 26.972 13.998 ( -5.034 0.000 14.702) 15.540 14.124 ( 5.138 -0.000 -7.724) 9.276 14.616 ( -3.053 0.000 -15.358) 15.659 15.160 ( -13.600 0.000 -0.913) 13.630 15.358 ( -4.846 0.000 -24.755) 25.225 15.790 ( 9.493 -0.000 -2.851) 9.911 15.984 ( -4.278 0.000 13.537) 14.197 16.464 ( 0.026 -0.000 0.565) 0.566 16.559 ( -3.500 0.000 1.351) 3.752 16.832 ( 4.647 -0.000 2.706) 5.378 17.459 ( -16.631 0.000 -9.202) 19.007 18.400 ( -1.193 0.000 7.348) 7.444 18.666 ( -4.913 0.000 -9.887) 11.040 18.885 ( 10.362 -0.000 2.004) 10.554 19.194 ( 7.125 -0.000 -6.344) 9.540 20.699 ( -4.788 0.000 10.079) 11.159 20.728 ( 2.009 -0.000 -7.954) 8.204 21.226 ( 7.675 -0.000 31.225) 32.154 21.742 ( 6.230 -0.000 -19.778) 20.736 22.800 ( 4.976 -0.000 -6.079) 7.856 22.960 ( -5.482 0.000 5.327) 7.644 23.029 ( 0.009 -0.000 5.357) 5.357 23.259 ( -2.005 0.000 -4.976) 5.365 ======================= Grid point 227 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -1.441 -5.122 13.116) 14.154 1.654 ( 5.990 -3.684 -16.455) 17.895 2.128 ( 7.165 4.932 5.578) 10.334 2.208 ( 5.505 -0.137 5.044) 7.468 2.528 ( 8.186 5.086 3.324) 10.194 2.726 ( -3.390 6.600 -10.726) 13.042 2.809 ( -4.310 -1.487 12.792) 13.580 2.916 ( 3.766 -0.765 -7.364) 8.306 2.975 ( 2.248 3.998 -1.621) 4.865 3.083 ( 1.191 -0.898 -1.055) 1.827 3.452 ( -3.296 2.093 7.919) 8.829 3.576 ( -7.689 -0.004 -0.458) 7.702 3.969 ( 6.351 2.740 -4.408) 8.202 4.114 ( 0.241 -5.348 -12.959) 14.021 4.894 ( 3.697 5.647 8.595) 10.929 5.001 ( 0.167 0.376 3.871) 3.893 5.072 ( 2.876 3.226 3.222) 5.391 5.123 ( 3.964 2.450 -4.336) 6.365 5.437 ( -0.410 0.634 0.538) 0.927 5.646 ( -10.585 -5.210 -9.271) 15.005 5.761 ( 7.689 9.604 -0.741) 12.326 5.846 ( 6.336 12.193 -3.177) 14.103 5.905 ( 9.850 -3.114 3.631) 10.950 6.111 ( 0.810 -3.690 0.734) 3.848 6.249 ( 4.062 -12.196 -2.227) 13.046 6.468 ( -6.452 -14.291 0.114) 15.681 6.725 ( -0.635 5.821 11.559) 12.958 6.935 ( 2.001 2.613 8.081) 8.725 7.069 ( -0.189 -4.721 -5.983) 7.624 7.149 ( -7.395 -3.580 4.177) 9.217 7.254 ( -8.552 1.166 0.214) 8.634 7.306 ( -13.847 1.403 -7.446) 15.784 7.752 ( 1.271 -0.321 2.766) 3.060 7.868 ( -3.345 -4.053 -4.911) 7.193 8.326 ( 5.712 2.608 9.662) 11.523 8.372 ( -1.291 -1.023 8.779) 8.933 8.599 ( 3.805 -8.096 -7.940) 11.961 8.852 ( 2.276 -1.690 -2.266) 3.629 8.876 ( -9.911 -5.670 -6.312) 13.047 8.996 ( -6.535 -2.479 -3.821) 7.966 9.222 ( 0.597 2.397 0.433) 2.508 9.280 ( -3.298 -1.212 2.219) 4.156 9.435 ( 9.332 -1.852 -5.224) 10.854 9.648 ( -10.055 -2.251 4.025) 11.062 10.063 ( 3.409 3.000 4.316) 6.265 10.147 ( -0.098 -0.957 -1.463) 1.751 10.608 ( 8.053 4.379 -0.755) 9.197 10.729 ( -0.347 3.057 0.285) 3.090 11.156 ( 5.398 1.146 0.313) 5.527 11.241 ( -1.001 -3.741 1.869) 4.300 11.711 ( 4.544 0.526 6.964) 8.332 11.839 ( -0.064 -1.620 -6.372) 6.575 12.037 ( -8.640 -0.226 12.959) 15.577 12.075 ( 0.977 2.024 -16.385) 16.539 13.576 ( 12.164 7.521 21.567) 25.878 13.955 ( -5.674 4.786 -1.674) 7.610 14.223 ( 4.514 -8.199 2.219) 9.619 14.500 ( -8.262 -7.096 -16.730) 19.963 15.014 ( -4.474 3.157 9.259) 10.757 15.201 ( -5.060 -2.240 -19.745) 20.506 15.840 ( 8.702 6.079 -4.350) 11.471 15.953 ( -5.792 4.972 9.393) 12.103 16.483 ( 1.209 -1.280 -0.236) 1.777 16.531 ( -3.428 -1.073 1.605) 3.935 16.998 ( 9.217 -9.748 1.397) 13.487 17.300 ( -12.818 -9.146 -4.517) 16.382 18.424 ( -0.205 0.131 5.075) 5.081 18.551 ( -4.194 0.601 -6.991) 8.175 18.991 ( 9.935 6.177 4.906) 12.686 19.204 ( -0.061 2.202 -6.907) 7.250 20.639 ( 0.155 5.955 3.449) 6.883 20.693 ( -0.766 3.212 -2.687) 4.257 21.448 ( 4.535 0.094 24.025) 24.450 21.720 ( 0.881 -3.620 -18.699) 19.066 22.847 ( 5.630 -1.230 -5.476) 7.949 22.928 ( -5.442 -0.977 5.709) 7.947 23.070 ( 1.119 -0.285 6.099) 6.208 23.195 ( -2.630 0.243 -6.210) 6.748 ======================= Grid point 228 (113/114) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 5.426 -4.026 -11.327) 13.189 1.724 ( -5.426 -4.026 11.327) 13.189 2.155 ( -3.494 5.829 -8.224) 10.669 2.155 ( 3.494 5.829 8.224) 10.669 2.529 ( -3.463 5.614 -10.264) 12.200 2.529 ( 3.463 5.614 10.264) 12.200 2.893 ( 0.544 0.390 -13.691) 13.707 2.893 ( -0.544 0.390 13.691) 13.707 3.004 ( -2.692 1.740 -8.070) 8.683 3.004 ( 2.692 1.740 8.070) 8.683 3.476 ( -0.103 1.163 -8.958) 9.033 3.476 ( 0.103 1.163 8.958) 9.033 4.067 ( -5.804 -1.867 -6.941) 9.238 4.067 ( 5.804 -1.867 6.941) 9.238 4.892 ( -1.274 5.374 -9.256) 10.778 4.892 ( 1.274 5.374 9.256) 10.778 5.112 ( -0.560 0.475 -5.551) 5.600 5.112 ( 0.560 0.475 5.551) 5.600 5.436 ( -7.409 12.522 -8.377) 16.789 5.436 ( 7.409 12.522 8.377) 16.789 5.679 ( 1.675 8.190 -5.287) 9.891 5.679 ( -1.675 8.190 5.287) 9.891 6.146 ( -7.842 -11.363 -1.974) 13.947 6.146 ( 7.842 -11.363 1.974) 13.947 6.534 ( -9.252 -11.799 -0.558) 15.004 6.534 ( 9.252 -11.799 0.558) 15.004 6.872 ( -6.803 0.938 -11.121) 13.071 6.872 ( 6.803 0.938 11.121) 13.071 7.084 ( 2.311 -1.346 -4.565) 5.290 7.084 ( -2.311 -1.346 4.565) 5.290 7.215 ( 5.662 -3.433 -2.346) 7.025 7.215 ( -5.662 -3.433 2.346) 7.025 7.864 ( 0.028 -6.020 -14.204) 15.427 7.864 ( -0.028 -6.020 14.204) 15.427 8.358 ( -2.770 1.796 -2.377) 4.068 8.358 ( 2.770 1.796 2.377) 4.068 8.826 ( -9.155 -8.953 -2.357) 13.020 8.826 ( 9.155 -8.953 2.357) 13.020 8.951 ( -3.362 -3.986 -2.047) 5.602 8.951 ( 3.362 -3.986 2.047) 5.602 9.250 ( -0.588 -1.276 -5.170) 5.357 9.250 ( 0.588 -1.276 5.170) 5.357 9.574 ( 10.956 -2.761 -4.485) 12.156 9.574 ( -10.956 -2.761 4.485) 12.156 10.092 ( -2.536 2.436 -4.805) 5.954 10.092 ( 2.536 2.436 4.805) 5.954 10.603 ( -3.589 8.256 -1.947) 9.211 10.603 ( 3.589 8.256 1.947) 9.211 11.247 ( -1.166 -1.666 -4.886) 5.292 11.247 ( 1.166 -1.666 4.886) 5.292 11.826 ( -2.232 -2.505 -6.842) 7.620 11.826 ( 2.232 -2.505 6.842) 7.620 11.987 ( 7.589 2.335 -15.840) 17.718 11.987 ( -7.589 2.335 15.840) 17.718 13.695 ( -10.138 8.251 -15.643) 20.386 13.695 ( 10.138 8.251 15.643) 20.386 14.459 ( 0.103 -9.253 -19.376) 21.472 14.459 ( -0.103 -9.253 19.376) 21.472 15.072 ( -2.727 -0.819 -16.120) 16.370 15.072 ( 2.727 -0.819 16.120) 16.370 15.812 ( 6.573 7.233 -4.781) 10.880 15.812 ( -6.573 7.233 4.781) 10.880 16.524 ( 2.304 -1.912 -1.787) 3.487 16.524 ( -2.304 -1.912 1.787) 3.487 17.326 ( -10.925 -15.845 0.581) 19.255 17.326 ( 10.925 -15.845 -0.581) 19.255 18.465 ( -1.786 0.203 -5.595) 5.877 18.465 ( 1.786 0.203 5.595) 5.877 19.028 ( -5.789 8.629 -8.765) 13.594 19.028 ( 5.789 8.629 8.765) 13.594 20.586 ( -0.092 6.916 -4.080) 8.030 20.586 ( 0.092 6.916 4.080) 8.030 21.631 ( -3.806 -1.647 -18.591) 19.048 21.631 ( 3.806 -1.647 18.591) 19.048 22.910 ( 5.125 -1.770 -5.718) 7.879 22.910 ( -5.125 -1.770 5.718) 7.879 23.127 ( -2.041 0.136 -6.277) 6.602 23.127 ( 2.041 0.136 6.277) 6.602 ======================= Grid point 237 (114/114) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 6.625 -0.000 -17.078) 18.318 1.609 ( -6.625 0.000 17.078) 18.318 2.261 ( 6.873 -0.000 -10.809) 12.809 2.261 ( -6.873 0.000 10.809) 12.809 2.697 ( -4.913 0.000 -6.336) 8.018 2.697 ( 4.913 -0.000 6.336) 8.018 2.811 ( 2.190 -0.000 -17.165) 17.304 2.811 ( -2.190 0.000 17.165) 17.304 3.071 ( 4.953 -0.000 -11.080) 12.137 3.071 ( -4.953 0.000 11.080) 12.137 3.497 ( -2.052 0.000 -4.939) 5.348 3.497 ( 2.052 -0.000 4.939) 5.348 4.017 ( 2.636 -0.000 -4.356) 5.092 4.017 ( -2.636 0.000 4.356) 5.092 5.016 ( 1.632 -0.000 -6.856) 7.047 5.016 ( -1.632 0.000 6.856) 7.047 5.145 ( -1.556 0.000 -5.098) 5.330 5.145 ( 1.556 -0.000 5.098) 5.330 5.441 ( -2.173 0.000 -2.235) 3.117 5.441 ( 2.173 -0.000 2.235) 3.117 5.935 ( 0.425 -0.000 -6.412) 6.426 5.935 ( -0.425 0.000 6.412) 6.426 6.111 ( -9.376 0.000 0.452) 9.387 6.111 ( 9.376 -0.000 -0.452) 9.387 6.174 ( -10.748 0.000 1.130) 10.807 6.174 ( 10.748 -0.000 -1.130) 10.807 6.901 ( -11.364 0.000 -8.676) 14.297 6.901 ( 11.364 -0.000 8.676) 14.297 7.041 ( -5.583 0.000 -1.867) 5.887 7.041 ( 5.583 -0.000 1.867) 5.887 7.206 ( 1.144 -0.000 -3.813) 3.981 7.206 ( -1.144 0.000 3.813) 3.981 7.783 ( -3.652 0.000 0.677) 3.714 7.783 ( 3.652 -0.000 -0.677) 3.714 8.442 ( -0.740 0.000 -15.015) 15.033 8.442 ( 0.740 -0.000 15.015) 15.033 8.585 ( -14.015 0.000 -13.586) 19.519 8.585 ( 14.015 -0.000 13.586) 19.519 8.895 ( -5.364 0.000 -0.476) 5.385 8.895 ( 5.364 -0.000 0.476) 5.385 9.251 ( 3.389 -0.000 -6.514) 7.343 9.251 ( -3.389 0.000 6.514) 7.343 9.525 ( 10.394 -0.000 -4.024) 11.146 9.525 ( -10.394 0.000 4.024) 11.146 10.130 ( -0.187 0.000 -3.765) 3.770 10.130 ( 0.187 -0.000 3.765) 3.770 10.723 ( -5.492 0.000 1.704) 5.750 10.723 ( 5.492 -0.000 -1.704) 5.750 11.198 ( 3.366 -0.000 -5.733) 6.648 11.198 ( -3.366 0.000 5.733) 6.648 11.786 ( -0.166 0.000 -9.455) 9.457 11.786 ( 0.166 -0.000 9.455) 9.457 12.036 ( 5.488 -0.000 -17.547) 18.386 12.036 ( -5.488 0.000 17.547) 18.386 13.892 ( -9.429 0.000 -12.088) 15.331 13.892 ( 9.429 -0.000 12.088) 15.331 14.243 ( -10.163 0.000 -3.109) 10.628 14.243 ( 10.163 -0.000 3.109) 10.628 15.062 ( 1.404 -0.000 -17.019) 17.077 15.062 ( -1.404 0.000 17.019) 17.077 15.959 ( 8.056 -0.000 -8.997) 12.077 15.959 ( -8.056 0.000 8.997) 12.077 16.493 ( -2.016 0.000 0.090) 2.018 16.493 ( 2.016 -0.000 -0.090) 2.018 17.057 ( -9.941 0.000 -4.759) 11.021 17.057 ( 9.941 -0.000 4.759) 11.021 18.472 ( -2.154 0.000 -7.238) 7.552 18.472 ( 2.154 -0.000 7.238) 7.552 19.165 ( -4.360 0.000 -7.045) 8.286 19.165 ( 4.360 -0.000 7.045) 8.286 20.693 ( 3.100 -0.000 -9.024) 9.542 20.693 ( -3.100 0.000 9.024) 9.542 21.597 ( 1.036 -0.000 -24.062) 24.084 21.597 ( -1.036 0.000 24.062) 24.084 22.880 ( 5.732 -0.000 -5.694) 8.079 22.880 ( -5.732 0.000 5.694) 8.079 23.127 ( -2.381 0.000 -6.734) 7.142 23.127 ( 2.381 -0.000 6.734) 7.142 =================== 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 3/29952 10.0 121.351 180.145 139.223 -0.000 -19.597 -0.000 3/29952 20.0 18.948 26.857 18.896 -0.000 -2.876 -0.000 3/29952 30.0 8.377 11.416 8.139 -0.000 -1.249 -0.000 3/29952 40.0 5.282 6.879 5.054 -0.000 -0.758 -0.000 3/29952 50.0 3.914 4.879 3.682 -0.000 -0.532 -0.000 3/29952 60.0 3.166 3.793 2.923 -0.000 -0.402 -0.000 3/29952 70.0 2.696 3.121 2.446 -0.000 -0.318 -0.000 3/29952 80.0 2.373 2.667 2.120 -0.000 -0.259 -0.000 3/29952 90.0 2.134 2.339 1.884 -0.000 -0.216 -0.000 3/29952 100.0 1.949 2.090 1.706 -0.000 -0.183 -0.000 3/29952 110.0 1.800 1.894 1.567 -0.000 -0.158 -0.000 3/29952 120.0 1.676 1.736 1.455 -0.000 -0.137 -0.000 3/29952 130.0 1.572 1.605 1.363 -0.000 -0.121 -0.000 3/29952 140.0 1.482 1.494 1.285 -0.000 -0.108 -0.000 3/29952 150.0 1.404 1.399 1.219 -0.000 -0.096 -0.000 3/29952 160.0 1.335 1.317 1.162 -0.000 -0.087 -0.000 3/29952 170.0 1.273 1.245 1.111 -0.000 -0.079 -0.000 3/29952 180.0 1.218 1.181 1.065 -0.000 -0.072 -0.000 3/29952 190.0 1.168 1.125 1.024 -0.000 -0.066 -0.000 3/29952 200.0 1.122 1.073 0.987 -0.000 -0.061 -0.000 3/29952 210.0 1.080 1.027 0.953 -0.000 -0.056 -0.000 3/29952 220.0 1.042 0.985 0.922 -0.000 -0.052 -0.000 3/29952 230.0 1.006 0.946 0.892 -0.000 -0.049 -0.000 3/29952 240.0 0.973 0.911 0.865 -0.000 -0.046 -0.000 3/29952 250.0 0.942 0.878 0.839 -0.000 -0.043 -0.000 3/29952 260.0 0.913 0.847 0.815 -0.000 -0.040 -0.000 3/29952 270.0 0.886 0.819 0.793 -0.000 -0.038 -0.000 3/29952 280.0 0.860 0.793 0.771 -0.000 -0.036 -0.000 3/29952 290.0 0.836 0.768 0.751 -0.000 -0.034 -0.000 3/29952 300.0 0.813 0.745 0.732 -0.000 -0.033 -0.000 3/29952 310.0 0.791 0.723 0.713 -0.000 -0.031 -0.000 3/29952 320.0 0.771 0.703 0.696 -0.000 -0.030 -0.000 3/29952 330.0 0.751 0.683 0.679 -0.000 -0.029 -0.000 3/29952 340.0 0.733 0.665 0.663 -0.000 -0.027 -0.000 3/29952 350.0 0.715 0.647 0.648 -0.000 -0.026 -0.000 3/29952 360.0 0.698 0.631 0.633 -0.000 -0.025 -0.000 3/29952 370.0 0.682 0.615 0.619 -0.000 -0.025 -0.000 3/29952 380.0 0.666 0.600 0.606 -0.000 -0.024 -0.000 3/29952 390.0 0.652 0.586 0.593 -0.000 -0.023 -0.000 3/29952 400.0 0.638 0.573 0.581 -0.000 -0.022 -0.000 3/29952 410.0 0.624 0.560 0.569 -0.000 -0.021 -0.000 3/29952 420.0 0.611 0.547 0.557 -0.000 -0.021 -0.000 3/29952 430.0 0.598 0.535 0.546 -0.000 -0.020 -0.000 3/29952 440.0 0.586 0.524 0.536 -0.000 -0.020 -0.000 3/29952 450.0 0.575 0.513 0.525 -0.000 -0.019 -0.000 3/29952 460.0 0.564 0.503 0.516 -0.000 -0.019 -0.000 3/29952 470.0 0.553 0.493 0.506 -0.000 -0.018 -0.000 3/29952 480.0 0.543 0.483 0.497 -0.000 -0.018 -0.000 3/29952 490.0 0.533 0.474 0.488 -0.000 -0.017 -0.000 3/29952 500.0 0.523 0.465 0.479 -0.000 -0.017 -0.000 3/29952 510.0 0.514 0.456 0.471 -0.000 -0.016 -0.000 3/29952 520.0 0.505 0.448 0.463 -0.000 -0.016 -0.000 3/29952 530.0 0.496 0.440 0.455 -0.000 -0.016 -0.000 3/29952 540.0 0.488 0.432 0.448 -0.000 -0.015 -0.000 3/29952 550.0 0.480 0.425 0.441 -0.000 -0.015 -0.000 3/29952 560.0 0.472 0.417 0.433 -0.000 -0.015 -0.000 3/29952 570.0 0.464 0.410 0.427 -0.000 -0.014 -0.000 3/29952 580.0 0.457 0.404 0.420 -0.000 -0.014 -0.000 3/29952 590.0 0.449 0.397 0.413 -0.000 -0.014 -0.000 3/29952 600.0 0.442 0.391 0.407 -0.000 -0.014 -0.000 3/29952 610.0 0.436 0.385 0.401 -0.000 -0.013 -0.000 3/29952 620.0 0.429 0.379 0.395 -0.000 -0.013 -0.000 3/29952 630.0 0.423 0.373 0.389 -0.000 -0.013 -0.000 3/29952 640.0 0.417 0.367 0.384 -0.000 -0.013 -0.000 3/29952 650.0 0.411 0.362 0.378 -0.000 -0.012 -0.000 3/29952 660.0 0.405 0.357 0.373 -0.000 -0.012 -0.000 3/29952 670.0 0.399 0.352 0.368 -0.000 -0.012 -0.000 3/29952 680.0 0.394 0.347 0.363 -0.000 -0.012 -0.000 3/29952 690.0 0.388 0.342 0.358 -0.000 -0.012 -0.000 3/29952 700.0 0.383 0.337 0.353 -0.000 -0.011 -0.000 3/29952 710.0 0.378 0.332 0.349 -0.000 -0.011 -0.000 3/29952 720.0 0.373 0.328 0.344 -0.000 -0.011 -0.000 3/29952 730.0 0.368 0.324 0.340 -0.000 -0.011 -0.000 3/29952 740.0 0.363 0.319 0.335 -0.000 -0.011 -0.000 3/29952 750.0 0.359 0.315 0.331 -0.000 -0.011 -0.000 3/29952 760.0 0.354 0.311 0.327 -0.000 -0.010 -0.000 3/29952 770.0 0.350 0.307 0.323 -0.000 -0.010 -0.000 3/29952 780.0 0.346 0.303 0.319 -0.000 -0.010 -0.000 3/29952 790.0 0.341 0.300 0.315 -0.000 -0.010 -0.000 3/29952 800.0 0.337 0.296 0.312 -0.000 -0.010 -0.000 3/29952 810.0 0.333 0.292 0.308 -0.000 -0.010 -0.000 3/29952 820.0 0.329 0.289 0.304 -0.000 -0.010 -0.000 3/29952 830.0 0.326 0.286 0.301 -0.000 -0.009 -0.000 3/29952 840.0 0.322 0.282 0.298 -0.000 -0.009 -0.000 3/29952 850.0 0.318 0.279 0.294 -0.000 -0.009 -0.000 3/29952 860.0 0.315 0.276 0.291 -0.000 -0.009 -0.000 3/29952 870.0 0.311 0.273 0.288 -0.000 -0.009 -0.000 3/29952 880.0 0.308 0.270 0.285 -0.000 -0.009 -0.000 3/29952 890.0 0.304 0.267 0.282 -0.000 -0.009 -0.000 3/29952 900.0 0.301 0.264 0.279 -0.000 -0.009 -0.000 3/29952 910.0 0.298 0.261 0.276 -0.000 -0.009 -0.000 3/29952 920.0 0.295 0.258 0.273 -0.000 -0.008 -0.000 3/29952 930.0 0.292 0.256 0.270 -0.000 -0.008 -0.000 3/29952 940.0 0.289 0.253 0.267 -0.000 -0.008 -0.000 3/29952 950.0 0.286 0.250 0.265 -0.000 -0.008 -0.000 3/29952 960.0 0.283 0.248 0.262 -0.000 -0.008 -0.000 3/29952 970.0 0.280 0.245 0.259 -0.000 -0.008 -0.000 3/29952 980.0 0.277 0.243 0.257 -0.000 -0.008 -0.000 3/29952 990.0 0.275 0.240 0.254 -0.000 -0.008 -0.000 3/29952 1000.0 0.272 0.238 0.252 -0.000 -0.008 -0.000 3/29952 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:39:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|