# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/8ff272df-d4ef-4fed-9f5d-fdf04d501678/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Na5SiP3 / P2_1/c (14) / materials id 5929](https://mdr.nims.go.jp/datasets/52e21061-9dd4-41d1-8388-27d93389c3c3) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 21:05:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 16------------------------------ primitive cell ------------------------------Lattice vectors: a 7.893928200120021 0.000000000000000 0.000000000000000 b 0.000000000000000 7.265257570000000 0.000000000000000 c -7.761236159761848 0.000000000000000 13.011535948485506Atomic positions (fractional): *1 Na 0.94390425624474 0.49213074547843 0.75722240284660 22.990 2 Na 0.05609574375526 0.99213074547843 0.74277759715340 22.990 3 Na 0.05609574375526 0.50786925452157 0.24277759715340 22.990 4 Na 0.94390425624474 0.00786925452157 0.25722240284660 22.990 *5 Na 0.58515211555087 0.01516028038715 0.91157330089232 22.990 6 Na 0.41484788444913 0.51516028038715 0.58842669910768 22.990 7 Na 0.41484788444913 0.98483971961285 0.08842669910768 22.990 8 Na 0.58515211555087 0.48483971961285 0.41157330089232 22.990 *9 Na 0.24442380825628 0.47160360932354 0.08188801926702 22.990 10 Na 0.75557619174372 0.97160360932354 0.41811198073298 22.990 11 Na 0.75557619174372 0.52839639067646 0.91811198073298 22.990 12 Na 0.24442380825628 0.02839639067646 0.58188801926702 22.990 *13 Na 0.66356262072405 0.84459389271051 0.74124328381202 22.990 14 Na 0.33643737927595 0.34459389271051 0.75875671618798 22.990 15 Na 0.33643737927595 0.15540610728949 0.25875671618798 22.990 16 Na 0.66356262072405 0.65540610728949 0.24124328381202 22.990 *17 Na 0.34154111904222 0.66336082213685 0.91906662085503 22.990 18 Na 0.65845888095778 0.16336082213685 0.58093337914497 22.990 19 Na 0.65845888095778 0.33663917786315 0.08093337914497 22.990 20 Na 0.34154111904222 0.83663917786315 0.41906662085503 22.990 *21 Si 0.98789661915535 0.36163685013937 0.41660455314974 28.085 22 Si 0.01210338084465 0.86163685013937 0.08339544685026 28.085 23 Si 0.01210338084465 0.63836314986063 0.58339544685026 28.085 24 Si 0.98789661915535 0.13836314986063 0.91660455314974 28.085 *25 P 0.25811856853272 0.25822024454490 0.92052517407831 30.974 26 P 0.74188143146728 0.75822024454490 0.57947482592169 30.974 27 P 0.74188143146728 0.74177975545510 0.07947482592169 30.974 28 P 0.25811856853272 0.24177975545510 0.42052517407831 30.974 *29 P 0.70045403831395 0.22959260810155 0.77834511718419 30.974 30 P 0.29954596168606 0.72959260810155 0.72165488281581 30.974 31 P 0.29954596168606 0.77040739189845 0.22165488281581 30.974 32 P 0.70045403831395 0.27040739189845 0.27834511718419 30.974 *33 P 0.02041303010606 0.68088398720167 0.43460682208477 30.974 34 P 0.97958696989395 0.18088398720167 0.06539317791523 30.974 35 P 0.97958696989395 0.31911601279833 0.56539317791523 30.974 36 P 0.02041303010606 0.81911601279833 0.93460682208477 30.974-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.893928200120021 0.000000000000000 0.000000000000000 b 0.000000000000000 7.265257570000000 0.000000000000000 c -7.761236159761848 0.000000000000000 13.011535948485506Atomic positions (fractional): *1 Na 0.94390425624474 0.49213074547843 0.75722240284660 22.990 > 1 2 Na 0.05609574375526 0.99213074547843 0.74277759715340 22.990 > 2 3 Na 0.05609574375526 0.50786925452157 0.24277759715340 22.990 > 3 4 Na 0.94390425624474 0.00786925452157 0.25722240284660 22.990 > 4 *5 Na 0.58515211555087 0.01516028038715 0.91157330089232 22.990 > 5 6 Na 0.41484788444913 0.51516028038715 0.58842669910768 22.990 > 6 7 Na 0.41484788444913 0.98483971961285 0.08842669910768 22.990 > 7 8 Na 0.58515211555087 0.48483971961285 0.41157330089232 22.990 > 8 *9 Na 0.24442380825628 0.47160360932354 0.08188801926702 22.990 > 9 10 Na 0.75557619174372 0.97160360932354 0.41811198073298 22.990 > 10 11 Na 0.75557619174372 0.52839639067646 0.91811198073298 22.990 > 11 12 Na 0.24442380825628 0.02839639067646 0.58188801926702 22.990 > 12 *13 Na 0.66356262072405 0.84459389271051 0.74124328381202 22.990 > 13 14 Na 0.33643737927595 0.34459389271051 0.75875671618798 22.990 > 14 15 Na 0.33643737927595 0.15540610728949 0.25875671618798 22.990 > 15 16 Na 0.66356262072405 0.65540610728949 0.24124328381202 22.990 > 16 *17 Na 0.34154111904222 0.66336082213685 0.91906662085503 22.990 > 17 18 Na 0.65845888095778 0.16336082213685 0.58093337914497 22.990 > 18 19 Na 0.65845888095778 0.33663917786315 0.08093337914497 22.990 > 19 20 Na 0.34154111904222 0.83663917786315 0.41906662085503 22.990 > 20 *21 Si 0.98789661915535 0.36163685013937 0.41660455314974 28.085 > 21 22 Si 0.01210338084465 0.86163685013937 0.08339544685026 28.085 > 22 23 Si 0.01210338084465 0.63836314986063 0.58339544685026 28.085 > 23 24 Si 0.98789661915535 0.13836314986063 0.91660455314974 28.085 > 24 *25 P 0.25811856853272 0.25822024454490 0.92052517407831 30.974 > 25 26 P 0.74188143146728 0.75822024454490 0.57947482592169 30.974 > 26 27 P 0.74188143146728 0.74177975545510 0.07947482592169 30.974 > 27 28 P 0.25811856853272 0.24177975545510 0.42052517407831 30.974 > 28 *29 P 0.70045403831395 0.22959260810155 0.77834511718419 30.974 > 29 30 P 0.29954596168606 0.72959260810155 0.72165488281581 30.974 > 30 31 P 0.29954596168606 0.77040739189845 0.22165488281581 30.974 > 31 32 P 0.70045403831395 0.27040739189845 0.27834511718419 30.974 > 32 *33 P 0.02041303010606 0.68088398720167 0.43460682208477 30.974 > 33 34 P 0.97958696989395 0.18088398720167 0.06539317791523 30.974 > 34 35 P 0.97958696989395 0.31911601279833 0.56539317791523 30.974 > 35 36 P 0.02041303010606 0.81911601279833 0.93460682208477 30.974 > 36-------------------------------- super cell --------------------------------Lattice vectors: a 15.787856400240042 0.000000000000000 0.000000000000000 b 0.000000000000000 14.530515140000000 0.000000000000000 c -7.761236159761848 0.000000000000000 13.011535948485506Atomic positions (fractional): *1 Na 0.47195212812237 0.24606537273921 0.75722240284660 22.990 > 1 2 Na 0.97195212812237 0.24606537273921 0.75722240284660 22.990 > 1 3 Na 0.47195212812237 0.74606537273921 0.75722240284660 22.990 > 1 4 Na 0.97195212812237 0.74606537273921 0.75722240284660 22.990 > 1 5 Na 0.02804787187763 0.49606537273921 0.74277759715340 22.990 > 2 6 Na 0.52804787187763 0.49606537273921 0.74277759715340 22.990 > 2 7 Na 0.02804787187763 0.99606537273921 0.74277759715340 22.990 > 2 8 Na 0.52804787187763 0.99606537273921 0.74277759715340 22.990 > 2 9 Na 0.02804787187763 0.25393462726079 0.24277759715340 22.990 > 3 10 Na 0.52804787187763 0.25393462726079 0.24277759715340 22.990 > 3 11 Na 0.02804787187763 0.75393462726079 0.24277759715340 22.990 > 3 12 Na 0.52804787187763 0.75393462726079 0.24277759715340 22.990 > 3 13 Na 0.47195212812237 0.00393462726079 0.25722240284660 22.990 > 4 14 Na 0.97195212812237 0.00393462726079 0.25722240284660 22.990 > 4 15 Na 0.47195212812237 0.50393462726079 0.25722240284660 22.990 > 4 16 Na 0.97195212812237 0.50393462726079 0.25722240284660 22.990 > 4 *17 Na 0.29257605777543 0.00758014019357 0.91157330089232 22.990 > 5 18 Na 0.79257605777543 0.00758014019357 0.91157330089232 22.990 > 5 19 Na 0.29257605777543 0.50758014019358 0.91157330089232 22.990 > 5 20 Na 0.79257605777543 0.50758014019358 0.91157330089232 22.990 > 5 21 Na 0.20742394222457 0.25758014019358 0.58842669910768 22.990 > 6 22 Na 0.70742394222457 0.25758014019358 0.58842669910768 22.990 > 6 23 Na 0.20742394222457 0.75758014019358 0.58842669910768 22.990 > 6 24 Na 0.70742394222457 0.75758014019358 0.58842669910768 22.990 > 6 25 Na 0.20742394222457 0.49241985980642 0.08842669910768 22.990 > 7 26 Na 0.70742394222457 0.49241985980642 0.08842669910768 22.990 > 7 27 Na 0.20742394222457 0.99241985980642 0.08842669910768 22.990 > 7 28 Na 0.70742394222457 0.99241985980642 0.08842669910768 22.990 > 7 29 Na 0.29257605777543 0.24241985980642 0.41157330089232 22.990 > 8 30 Na 0.79257605777543 0.24241985980642 0.41157330089232 22.990 > 8 31 Na 0.29257605777543 0.74241985980642 0.41157330089232 22.990 > 8 32 Na 0.79257605777543 0.74241985980642 0.41157330089232 22.990 > 8 *33 Na 0.12221190412814 0.23580180466177 0.08188801926702 22.990 > 9 34 Na 0.62221190412814 0.23580180466177 0.08188801926702 22.990 > 9 35 Na 0.12221190412814 0.73580180466177 0.08188801926702 22.990 > 9 36 Na 0.62221190412814 0.73580180466177 0.08188801926702 22.990 > 9 37 Na 0.37778809587186 0.48580180466177 0.41811198073298 22.990 > 10 38 Na 0.87778809587186 0.48580180466177 0.41811198073298 22.990 > 10 39 Na 0.37778809587186 0.98580180466177 0.41811198073298 22.990 > 10 40 Na 0.87778809587186 0.98580180466177 0.41811198073298 22.990 > 10 41 Na 0.37778809587186 0.26419819533823 0.91811198073298 22.990 > 11 42 Na 0.87778809587186 0.26419819533823 0.91811198073298 22.990 > 11 43 Na 0.37778809587186 0.76419819533823 0.91811198073298 22.990 > 11 44 Na 0.87778809587186 0.76419819533823 0.91811198073298 22.990 > 11 45 Na 0.12221190412814 0.01419819533823 0.58188801926702 22.990 > 12 46 Na 0.62221190412814 0.01419819533823 0.58188801926702 22.990 > 12 47 Na 0.12221190412814 0.51419819533823 0.58188801926702 22.990 > 12 48 Na 0.62221190412814 0.51419819533823 0.58188801926702 22.990 > 12 *49 Na 0.33178131036203 0.42229694635526 0.74124328381202 22.990 > 13 50 Na 0.83178131036203 0.42229694635526 0.74124328381202 22.990 > 13 51 Na 0.33178131036203 0.92229694635526 0.74124328381202 22.990 > 13 52 Na 0.83178131036203 0.92229694635526 0.74124328381202 22.990 > 13 53 Na 0.16821868963798 0.17229694635526 0.75875671618798 22.990 > 14 54 Na 0.66821868963798 0.17229694635526 0.75875671618798 22.990 > 14 55 Na 0.16821868963798 0.67229694635526 0.75875671618798 22.990 > 14 56 Na 0.66821868963798 0.67229694635526 0.75875671618798 22.990 > 14 57 Na 0.16821868963798 0.07770305364474 0.25875671618798 22.990 > 15 58 Na 0.66821868963798 0.07770305364474 0.25875671618798 22.990 > 15 59 Na 0.16821868963798 0.57770305364474 0.25875671618798 22.990 > 15 60 Na 0.66821868963798 0.57770305364474 0.25875671618798 22.990 > 15 61 Na 0.33178131036203 0.32770305364474 0.24124328381202 22.990 > 16 62 Na 0.83178131036203 0.32770305364474 0.24124328381202 22.990 > 16 63 Na 0.33178131036203 0.82770305364474 0.24124328381202 22.990 > 16 64 Na 0.83178131036203 0.82770305364474 0.24124328381202 22.990 > 16 *65 Na 0.17077055952111 0.33168041106842 0.91906662085503 22.990 > 17 66 Na 0.67077055952111 0.33168041106842 0.91906662085503 22.990 > 17 67 Na 0.17077055952111 0.83168041106842 0.91906662085503 22.990 > 17 68 Na 0.67077055952111 0.83168041106842 0.91906662085503 22.990 > 17 69 Na 0.32922944047889 0.08168041106842 0.58093337914497 22.990 > 18 70 Na 0.82922944047889 0.08168041106842 0.58093337914497 22.990 > 18 71 Na 0.32922944047889 0.58168041106842 0.58093337914497 22.990 > 18 72 Na 0.82922944047889 0.58168041106842 0.58093337914497 22.990 > 18 73 Na 0.32922944047889 0.16831958893158 0.08093337914497 22.990 > 19 74 Na 0.82922944047889 0.16831958893158 0.08093337914497 22.990 > 19 75 Na 0.32922944047889 0.66831958893158 0.08093337914497 22.990 > 19 76 Na 0.82922944047889 0.66831958893158 0.08093337914497 22.990 > 19 77 Na 0.17077055952111 0.41831958893158 0.41906662085503 22.990 > 20 78 Na 0.67077055952111 0.41831958893158 0.41906662085503 22.990 > 20 79 Na 0.17077055952111 0.91831958893158 0.41906662085503 22.990 > 20 80 Na 0.67077055952111 0.91831958893158 0.41906662085503 22.990 > 20 *81 Si 0.49394830957767 0.18081842506969 0.41660455314974 28.085 > 21 82 Si 0.99394830957767 0.18081842506969 0.41660455314974 28.085 > 21 83 Si 0.49394830957767 0.68081842506969 0.41660455314974 28.085 > 21 84 Si 0.99394830957767 0.68081842506969 0.41660455314974 28.085 > 21 85 Si 0.00605169042233 0.43081842506969 0.08339544685026 28.085 > 22 86 Si 0.50605169042233 0.43081842506969 0.08339544685026 28.085 > 22 87 Si 0.00605169042233 0.93081842506969 0.08339544685026 28.085 > 22 88 Si 0.50605169042233 0.93081842506969 0.08339544685026 28.085 > 22 89 Si 0.00605169042233 0.31918157493031 0.58339544685026 28.085 > 23 90 Si 0.50605169042233 0.31918157493031 0.58339544685026 28.085 > 23 91 Si 0.00605169042233 0.81918157493031 0.58339544685026 28.085 > 23 92 Si 0.50605169042233 0.81918157493031 0.58339544685026 28.085 > 23 93 Si 0.49394830957767 0.06918157493031 0.91660455314974 28.085 > 24 94 Si 0.99394830957767 0.06918157493031 0.91660455314974 28.085 > 24 95 Si 0.49394830957767 0.56918157493031 0.91660455314974 28.085 > 24 96 Si 0.99394830957767 0.56918157493031 0.91660455314974 28.085 > 24 *97 P 0.12905928426636 0.12911012227245 0.92052517407831 30.974 > 25 98 P 0.62905928426636 0.12911012227245 0.92052517407831 30.974 > 25 99 P 0.12905928426636 0.62911012227245 0.92052517407831 30.974 > 25 100 P 0.62905928426636 0.62911012227245 0.92052517407831 30.974 > 25 101 P 0.37094071573364 0.37911012227245 0.57947482592169 30.974 > 26 102 P 0.87094071573364 0.37911012227245 0.57947482592169 30.974 > 26 103 P 0.37094071573364 0.87911012227245 0.57947482592169 30.974 > 26 104 P 0.87094071573364 0.87911012227245 0.57947482592169 30.974 > 26 105 P 0.37094071573364 0.37088987772755 0.07947482592169 30.974 > 27 106 P 0.87094071573364 0.37088987772755 0.07947482592169 30.974 > 27 107 P 0.37094071573364 0.87088987772755 0.07947482592169 30.974 > 27 108 P 0.87094071573364 0.87088987772755 0.07947482592169 30.974 > 27 109 P 0.12905928426636 0.12088987772755 0.42052517407831 30.974 > 28 110 P 0.62905928426636 0.12088987772755 0.42052517407831 30.974 > 28 111 P 0.12905928426636 0.62088987772755 0.42052517407831 30.974 > 28 112 P 0.62905928426636 0.62088987772755 0.42052517407831 30.974 > 28 *113 P 0.35022701915697 0.11479630405078 0.77834511718419 30.974 > 29 114 P 0.85022701915697 0.11479630405078 0.77834511718419 30.974 > 29 115 P 0.35022701915697 0.61479630405078 0.77834511718419 30.974 > 29 116 P 0.85022701915697 0.61479630405078 0.77834511718419 30.974 > 29 117 P 0.14977298084303 0.36479630405078 0.72165488281581 30.974 > 30 118 P 0.64977298084303 0.36479630405078 0.72165488281581 30.974 > 30 119 P 0.14977298084303 0.86479630405078 0.72165488281581 30.974 > 30 120 P 0.64977298084303 0.86479630405078 0.72165488281581 30.974 > 30 121 P 0.14977298084303 0.38520369594922 0.22165488281581 30.974 > 31 122 P 0.64977298084303 0.38520369594922 0.22165488281581 30.974 > 31 123 P 0.14977298084303 0.88520369594922 0.22165488281581 30.974 > 31 124 P 0.64977298084303 0.88520369594922 0.22165488281581 30.974 > 31 125 P 0.35022701915697 0.13520369594922 0.27834511718419 30.974 > 32 126 P 0.85022701915697 0.13520369594922 0.27834511718419 30.974 > 32 127 P 0.35022701915697 0.63520369594922 0.27834511718419 30.974 > 32 128 P 0.85022701915697 0.63520369594922 0.27834511718419 30.974 > 32 *129 P 0.01020651505303 0.34044199360084 0.43460682208477 30.974 > 33 130 P 0.51020651505303 0.34044199360084 0.43460682208477 30.974 > 33 131 P 0.01020651505303 0.84044199360084 0.43460682208477 30.974 > 33 132 P 0.51020651505303 0.84044199360084 0.43460682208477 30.974 > 33 133 P 0.48979348494697 0.09044199360084 0.06539317791523 30.974 > 34 134 P 0.98979348494697 0.09044199360084 0.06539317791523 30.974 > 34 135 P 0.48979348494697 0.59044199360084 0.06539317791523 30.974 > 34 136 P 0.98979348494697 0.59044199360084 0.06539317791523 30.974 > 34 137 P 0.48979348494697 0.15955800639916 0.56539317791523 30.974 > 35 138 P 0.98979348494697 0.15955800639916 0.56539317791523 30.974 > 35 139 P 0.48979348494697 0.65955800639916 0.56539317791523 30.974 > 35 140 P 0.98979348494697 0.65955800639916 0.56539317791523 30.974 > 35 141 P 0.01020651505303 0.40955800639916 0.93460682208477 30.974 > 36 142 P 0.51020651505303 0.40955800639916 0.93460682208477 30.974 > 36 143 P 0.01020651505303 0.90955800639916 0.93460682208477 30.974 > 36 144 P 0.51020651505303 0.90955800639916 0.93460682208477 30.974 > 36----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.6302972 0.0000000 0.1263137 0.0000000 7.4094209 0.0000000 0.1262864 0.0000000 7.6163608-------------------------- Born effective charges -------------------------- 1 Na 0.9356833 0.0824265 -0.3338358 0.0975980 1.1576510 -0.1215263 -0.3002486 -0.1627011 1.2569488 2 Na 0.9356833 -0.0824265 -0.3338358 -0.0975980 1.1576510 0.1215263 -0.3002486 0.1627011 1.2569488 3 Na 0.9356833 0.0824265 -0.3338358 0.0975980 1.1576510 -0.1215263 -0.3002486 -0.1627011 1.2569488 4 Na 0.9356833 -0.0824265 -0.3338358 -0.0975980 1.1576510 0.1215263 -0.3002486 0.1627011 1.2569488 5 Na 1.3648445 -0.0059329 0.1853820 0.0465440 0.8785267 0.0629499 0.1521136 0.0671637 1.0969682 6 Na 1.3648445 0.0059329 0.1853820 -0.0465440 0.8785267 -0.0629499 0.1521136 -0.0671637 1.0969682 7 Na 1.3648445 -0.0059329 0.1853820 0.0465440 0.8785267 0.0629499 0.1521136 0.0671637 1.0969682 8 Na 1.3648445 0.0059329 0.1853820 -0.0465440 0.8785267 -0.0629499 0.1521136 -0.0671637 1.0969682 9 Na 0.9444994 -0.1707673 0.1505967 -0.0282115 1.4957783 0.1209501 0.1324904 0.0290739 1.0477843 10 Na 0.9444994 0.1707673 0.1505967 0.0282115 1.4957783 -0.1209501 0.1324904 -0.0290739 1.0477843 11 Na 0.9444994 -0.1707673 0.1505967 -0.0282115 1.4957783 0.1209501 0.1324904 0.0290739 1.0477843 12 Na 0.9444994 0.1707673 0.1505967 0.0282115 1.4957783 -0.1209501 0.1324904 -0.0290739 1.0477843 13 Na 1.0583265 0.0774415 -0.1470880 0.1401223 0.9483244 0.2384703 0.1518006 0.1781899 0.9983020 14 Na 1.0583265 -0.0774415 -0.1470880 -0.1401223 0.9483244 -0.2384703 0.1518006 -0.1781899 0.9983020 15 Na 1.0583265 0.0774415 -0.1470880 0.1401223 0.9483244 0.2384703 0.1518006 0.1781899 0.9983020 16 Na 1.0583265 -0.0774415 -0.1470880 -0.1401223 0.9483244 -0.2384703 0.1518006 -0.1781899 0.9983020 17 Na 1.0975773 0.0854724 0.1526108 -0.0580370 1.0689731 0.1706038 -0.0994377 0.0172413 1.0055089 18 Na 1.0975773 -0.0854724 0.1526108 0.0580370 1.0689731 -0.1706038 -0.0994377 -0.0172413 1.0055089 19 Na 1.0975773 0.0854724 0.1526108 -0.0580370 1.0689731 0.1706038 -0.0994377 0.0172413 1.0055089 20 Na 1.0975773 -0.0854724 0.1526108 0.0580370 1.0689731 -0.1706038 -0.0994377 -0.0172413 1.0055089 21 Si 2.5497227 -0.7066024 0.2555970 -0.7297458 1.4963963 1.0548564 0.2298921 1.1460848 2.2900037 22 Si 2.5497227 0.7066024 0.2555970 0.7297458 1.4963963 -1.0548564 0.2298921 -1.1460848 2.2900037 23 Si 2.5497227 -0.7066024 0.2555970 -0.7297458 1.4963963 1.0548564 0.2298921 1.1460848 2.2900037 24 Si 2.5497227 0.7066024 0.2555970 0.7297458 1.4963963 -1.0548564 0.2298921 -1.1460848 2.2900037 25 P -3.5145763 -0.6323043 -0.1110327 -0.6954599 -2.1993474 -0.0624540 0.0779109 0.0899899 -2.1246567 26 P -3.5145763 0.6323043 -0.1110327 0.6954599 -2.1993474 0.0624540 0.0779109 -0.0899899 -2.1246567 27 P -3.5145763 -0.6323043 -0.1110327 -0.6954599 -2.1993474 -0.0624540 0.0779109 0.0899899 -2.1246567 28 P -3.5145763 0.6323043 -0.1110327 0.6954599 -2.1993474 0.0624540 0.0779109 -0.0899899 -2.1246567 29 P -2.6141265 0.2002432 -0.6514617 0.1627213 -2.1146932 0.5166129 -0.9026254 0.4891906 -3.0859273 30 P -2.6141265 -0.2002432 -0.6514617 -0.1627213 -2.1146932 -0.5166129 -0.9026254 -0.4891906 -3.0859273 31 P -2.6141265 0.2002432 -0.6514617 0.1627213 -2.1146932 0.5166129 -0.9026254 0.4891906 -3.0859273 32 P -2.6141265 -0.2002432 -0.6514617 -0.1627213 -2.1146932 -0.5166129 -0.9026254 -0.4891906 -3.0859273 33 P -1.8219509 0.1362214 0.4992316 0.1359589 -2.7316092 -0.3823397 0.5581039 -0.5038008 -2.4849320 34 P -1.8219509 -0.1362214 0.4992316 -0.1359589 -2.7316092 0.3823397 0.5581039 0.5038008 -2.4849320 35 P -1.8219509 0.1362214 0.4992316 0.1359589 -2.7316092 -0.3823397 0.5581039 -0.5038008 -2.4849320 36 P -1.8219509 -0.1362214 0.4992316 -0.1359589 -2.7316092 0.3823397 0.5581039 0.5038008 -2.4849320----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 432/432Permutation basis: 23760/23760Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 5994Number of blocks in projector: 5994Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1296Use submatrix version of eigh solver.(1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 1296 / 1296(1) 278 eigenvectors found.(1) Complementary block size: 50(1) Compute compressed projector.(1) Use standard solver.(1) 32 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 1296Use submatrix version of eigh solver.(1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 1296 / 1296(1) 278 eigenvectors found.(1) Complementary block size: 50(1) Compute compressed projector.(1) Use standard solver.(1) 32 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1296Use submatrix version of eigh solver.(1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 483 eigenvectors found.(1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 1296 / 1296(1) 287 eigenvectors found.(1) Complementary block size: 41(1) Compute compressed projector.(1) Use standard solver.(1) 24 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 702Use submatrix version of eigh solver.(1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found.(1) 491 eigenvectors found.(1) Block: 702 / 702(1) 193 eigenvectors found.(1) Complementary block size: 18(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 702Use submatrix version of eigh solver.(1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found.(1) 491 eigenvectors found.(1) Block: 702 / 702(1) 193 eigenvectors found.(1) Complementary block size: 18(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 702Use submatrix version of eigh solver.(1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found.(1) 491 eigenvectors found.(1) Block: 702 / 702(1) 193 eigenvectors found.(1) Complementary block size: 18(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.Tree of FC basis block matrices:- (5994, 5914), data: False|-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True|-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True|-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True|-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True|-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True|-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 1120 - Time: 2.001Solver_block: 200 / 1120 - Time: 1.786Solver_block: 300 / 1120 - Time: 1.794Solver_block: 400 / 1120 - Time: 1.787Solver_block: 500 / 1120 - Time: 1.785Solver_block: 600 / 1120 - Time: 1.796Solver_block: 700 / 1120 - Time: 1.790Solver_block: 800 / 1120 - Time: 1.792Solver_block: 900 / 1120 - Time: 1.790Solver_block: 1000 / 1120 - Time: 1.787Solver_block: 1100 / 1120 - Time: 1.799Solver_block: 1120 / 1120 - Time: 0.525Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.948--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432Permutation basis: 23760/23760Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 5994Number of blocks in projector: 5994Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1296Use submatrix version of eigh solver.(1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 1296 / 1296(1) 278 eigenvectors found.(1) Complementary block size: 50(1) Compute compressed projector.(1) Use standard solver.(1) 32 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 1296Use submatrix version of eigh solver.(1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 1296 / 1296(1) 278 eigenvectors found.(1) Complementary block size: 50(1) Compute compressed projector.(1) Use standard solver.(1) 32 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1296Use submatrix version of eigh solver.(1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 483 eigenvectors found.(1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 1296 / 1296(1) 287 eigenvectors found.(1) Complementary block size: 41(1) Compute compressed projector.(1) Use standard solver.(1) 24 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 702Use submatrix version of eigh solver.(1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found.(1) 491 eigenvectors found.(1) Block: 702 / 702(1) 193 eigenvectors found.(1) Complementary block size: 18(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 702Use submatrix version of eigh solver.(1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found.(1) 491 eigenvectors found.(1) Block: 702 / 702(1) 193 eigenvectors found.(1) Complementary block size: 18(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 702Use submatrix version of eigh solver.(1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found.(1) 491 eigenvectors found.(1) Block: 702 / 702(1) 193 eigenvectors found.(1) Complementary block size: 18(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.Tree of FC basis block matrices:- (5994, 5914), data: False|-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True|-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True|-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True|-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True|-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True|-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 2026-01-07 21:06:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 21:06:27]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.893928200120021 0.000000000000000 0.000000000000000 b 0.000000000000000 7.265257570000000 0.000000000000000 c -7.761236159761848 0.000000000000000 13.011535948485506Atomic positions (fractional): 1 Na 0.94390425624474 0.49213074547843 0.75722240284660 22.990 2 Na 0.05609574375526 0.99213074547843 0.74277759715340 22.990 3 Na 0.05609574375526 0.50786925452157 0.24277759715340 22.990 4 Na 0.94390425624474 0.00786925452157 0.25722240284660 22.990 5 Na 0.58515211555087 0.01516028038715 0.91157330089232 22.990 6 Na 0.41484788444913 0.51516028038715 0.58842669910768 22.990 7 Na 0.41484788444913 0.98483971961285 0.08842669910768 22.990 8 Na 0.58515211555087 0.48483971961285 0.41157330089232 22.990 9 Na 0.24442380825628 0.47160360932354 0.08188801926702 22.990 10 Na 0.75557619174372 0.97160360932354 0.41811198073298 22.990 11 Na 0.75557619174372 0.52839639067646 0.91811198073298 22.990 12 Na 0.24442380825628 0.02839639067646 0.58188801926702 22.990 13 Na 0.66356262072405 0.84459389271051 0.74124328381202 22.990 14 Na 0.33643737927595 0.34459389271051 0.75875671618798 22.990 15 Na 0.33643737927595 0.15540610728949 0.25875671618798 22.990 16 Na 0.66356262072405 0.65540610728949 0.24124328381202 22.990 17 Na 0.34154111904222 0.66336082213685 0.91906662085503 22.990 18 Na 0.65845888095778 0.16336082213685 0.58093337914497 22.990 19 Na 0.65845888095778 0.33663917786315 0.08093337914497 22.990 20 Na 0.34154111904222 0.83663917786315 0.41906662085503 22.990 21 Si 0.98789661915535 0.36163685013937 0.41660455314974 28.085 22 Si 0.01210338084465 0.86163685013937 0.08339544685026 28.085 23 Si 0.01210338084465 0.63836314986063 0.58339544685026 28.085 24 Si 0.98789661915535 0.13836314986063 0.91660455314974 28.085 25 P 0.25811856853272 0.25822024454490 0.92052517407831 30.974 26 P 0.74188143146728 0.75822024454490 0.57947482592169 30.974 27 P 0.74188143146728 0.74177975545510 0.07947482592169 30.974 28 P 0.25811856853272 0.24177975545510 0.42052517407831 30.974 29 P 0.70045403831395 0.22959260810155 0.77834511718419 30.974 30 P 0.29954596168606 0.72959260810155 0.72165488281581 30.974 31 P 0.29954596168606 0.77040739189845 0.22165488281581 30.974 32 P 0.70045403831395 0.27040739189845 0.27834511718419 30.974 33 P 0.02041303010606 0.68088398720167 0.43460682208477 30.974 34 P 0.97958696989395 0.18088398720167 0.06539317791523 30.974 35 P 0.97958696989395 0.31911601279833 0.56539317791523 30.974 36 P 0.02041303010606 0.81911601279833 0.93460682208477 30.974-------------------------------- supercell ---------------------------------Lattice vectors: a 15.787856400240042 0.000000000000000 0.000000000000000 b 0.000000000000000 14.530515140000000 0.000000000000000 c -7.761236159761848 0.000000000000000 13.011535948485506Atomic positions (fractional): 1 Na 0.47195212812237 0.24606537273921 0.75722240284660 22.990 > 1 2 Na 0.97195212812237 0.24606537273921 0.75722240284660 22.990 > 1 3 Na 0.47195212812237 0.74606537273921 0.75722240284660 22.990 > 1 4 Na 0.97195212812237 0.74606537273921 0.75722240284660 22.990 > 1 5 Na 0.02804787187763 0.49606537273921 0.74277759715340 22.990 > 5 6 Na 0.52804787187763 0.49606537273921 0.74277759715340 22.990 > 5 7 Na 0.02804787187763 0.99606537273921 0.74277759715340 22.990 > 5 8 Na 0.52804787187763 0.99606537273921 0.74277759715340 22.990 > 5 9 Na 0.02804787187763 0.25393462726079 0.24277759715340 22.990 > 9 10 Na 0.52804787187763 0.25393462726079 0.24277759715340 22.990 > 9 11 Na 0.02804787187763 0.75393462726079 0.24277759715340 22.990 > 9 12 Na 0.52804787187763 0.75393462726079 0.24277759715340 22.990 > 9 13 Na 0.47195212812237 0.00393462726079 0.25722240284660 22.990 > 13 14 Na 0.97195212812237 0.00393462726079 0.25722240284660 22.990 > 13 15 Na 0.47195212812237 0.50393462726079 0.25722240284660 22.990 > 13 16 Na 0.97195212812237 0.50393462726079 0.25722240284660 22.990 > 13 17 Na 0.29257605777543 0.00758014019357 0.91157330089232 22.990 > 17 18 Na 0.79257605777543 0.00758014019357 0.91157330089232 22.990 > 17 19 Na 0.29257605777543 0.50758014019358 0.91157330089232 22.990 > 17 20 Na 0.79257605777543 0.50758014019358 0.91157330089232 22.990 > 17 21 Na 0.20742394222457 0.25758014019358 0.58842669910768 22.990 > 21 22 Na 0.70742394222457 0.25758014019358 0.58842669910768 22.990 > 21 23 Na 0.20742394222457 0.75758014019358 0.58842669910768 22.990 > 21 24 Na 0.70742394222457 0.75758014019358 0.58842669910768 22.990 > 21 25 Na 0.20742394222457 0.49241985980642 0.08842669910768 22.990 > 25 26 Na 0.70742394222457 0.49241985980642 0.08842669910768 22.990 > 25 27 Na 0.20742394222457 0.99241985980642 0.08842669910768 22.990 > 25 28 Na 0.70742394222457 0.99241985980642 0.08842669910768 22.990 > 25 29 Na 0.29257605777543 0.24241985980642 0.41157330089232 22.990 > 29 30 Na 0.79257605777543 0.24241985980642 0.41157330089232 22.990 > 29 31 Na 0.29257605777543 0.74241985980642 0.41157330089232 22.990 > 29 32 Na 0.79257605777543 0.74241985980642 0.41157330089232 22.990 > 29 33 Na 0.12221190412814 0.23580180466177 0.08188801926702 22.990 > 33 34 Na 0.62221190412814 0.23580180466177 0.08188801926702 22.990 > 33 35 Na 0.12221190412814 0.73580180466177 0.08188801926702 22.990 > 33 36 Na 0.62221190412814 0.73580180466177 0.08188801926702 22.990 > 33 37 Na 0.37778809587186 0.48580180466177 0.41811198073298 22.990 > 37 38 Na 0.87778809587186 0.48580180466177 0.41811198073298 22.990 > 37 39 Na 0.37778809587186 0.98580180466177 0.41811198073298 22.990 > 37 40 Na 0.87778809587186 0.98580180466177 0.41811198073298 22.990 > 37 41 Na 0.37778809587186 0.26419819533823 0.91811198073298 22.990 > 41 42 Na 0.87778809587186 0.26419819533823 0.91811198073298 22.990 > 41 43 Na 0.37778809587186 0.76419819533823 0.91811198073298 22.990 > 41 44 Na 0.87778809587186 0.76419819533823 0.91811198073298 22.990 > 41 45 Na 0.12221190412814 0.01419819533823 0.58188801926702 22.990 > 45 46 Na 0.62221190412814 0.01419819533823 0.58188801926702 22.990 > 45 47 Na 0.12221190412814 0.51419819533823 0.58188801926702 22.990 > 45 48 Na 0.62221190412814 0.51419819533823 0.58188801926702 22.990 > 45 49 Na 0.33178131036203 0.42229694635526 0.74124328381202 22.990 > 49 50 Na 0.83178131036203 0.42229694635526 0.74124328381202 22.990 > 49 51 Na 0.33178131036203 0.92229694635526 0.74124328381202 22.990 > 49 52 Na 0.83178131036203 0.92229694635526 0.74124328381202 22.990 > 49 53 Na 0.16821868963798 0.17229694635526 0.75875671618798 22.990 > 53 54 Na 0.66821868963798 0.17229694635526 0.75875671618798 22.990 > 53 55 Na 0.16821868963798 0.67229694635526 0.75875671618798 22.990 > 53 56 Na 0.66821868963798 0.67229694635526 0.75875671618798 22.990 > 53 57 Na 0.16821868963798 0.07770305364474 0.25875671618798 22.990 > 57 58 Na 0.66821868963798 0.07770305364474 0.25875671618798 22.990 > 57 59 Na 0.16821868963798 0.57770305364474 0.25875671618798 22.990 > 57 60 Na 0.66821868963798 0.57770305364474 0.25875671618798 22.990 > 57 61 Na 0.33178131036203 0.32770305364474 0.24124328381202 22.990 > 61 62 Na 0.83178131036203 0.32770305364474 0.24124328381202 22.990 > 61 63 Na 0.33178131036203 0.82770305364474 0.24124328381202 22.990 > 61 64 Na 0.83178131036203 0.82770305364474 0.24124328381202 22.990 > 61 65 Na 0.17077055952111 0.33168041106842 0.91906662085503 22.990 > 65 66 Na 0.67077055952111 0.33168041106842 0.91906662085503 22.990 > 65 67 Na 0.17077055952111 0.83168041106842 0.91906662085503 22.990 > 65 68 Na 0.67077055952111 0.83168041106842 0.91906662085503 22.990 > 65 69 Na 0.32922944047889 0.08168041106842 0.58093337914497 22.990 > 69 70 Na 0.82922944047889 0.08168041106842 0.58093337914497 22.990 > 69 71 Na 0.32922944047889 0.58168041106842 0.58093337914497 22.990 > 69 72 Na 0.82922944047889 0.58168041106842 0.58093337914497 22.990 > 69 73 Na 0.32922944047889 0.16831958893158 0.08093337914497 22.990 > 73 74 Na 0.82922944047889 0.16831958893158 0.08093337914497 22.990 > 73 75 Na 0.32922944047889 0.66831958893158 0.08093337914497 22.990 > 73 76 Na 0.82922944047889 0.66831958893158 0.08093337914497 22.990 > 73 77 Na 0.17077055952111 0.41831958893158 0.41906662085503 22.990 > 77 78 Na 0.67077055952111 0.41831958893158 0.41906662085503 22.990 > 77 79 Na 0.17077055952111 0.91831958893158 0.41906662085503 22.990 > 77 80 Na 0.67077055952111 0.91831958893158 0.41906662085503 22.990 > 77 81 Si 0.49394830957767 0.18081842506969 0.41660455314974 28.085 > 81 82 Si 0.99394830957767 0.18081842506969 0.41660455314974 28.085 > 81 83 Si 0.49394830957767 0.68081842506969 0.41660455314974 28.085 > 81 84 Si 0.99394830957767 0.68081842506969 0.41660455314974 28.085 > 81 85 Si 0.00605169042233 0.43081842506969 0.08339544685026 28.085 > 85 86 Si 0.50605169042233 0.43081842506969 0.08339544685026 28.085 > 85 87 Si 0.00605169042233 0.93081842506969 0.08339544685026 28.085 > 85 88 Si 0.50605169042233 0.93081842506969 0.08339544685026 28.085 > 85 89 Si 0.00605169042233 0.31918157493031 0.58339544685026 28.085 > 89 90 Si 0.50605169042233 0.31918157493031 0.58339544685026 28.085 > 89 91 Si 0.00605169042233 0.81918157493031 0.58339544685026 28.085 > 89 92 Si 0.50605169042233 0.81918157493031 0.58339544685026 28.085 > 89 93 Si 0.49394830957767 0.06918157493031 0.91660455314974 28.085 > 93 94 Si 0.99394830957767 0.06918157493031 0.91660455314974 28.085 > 93 95 Si 0.49394830957767 0.56918157493031 0.91660455314974 28.085 > 93 96 Si 0.99394830957767 0.56918157493031 0.91660455314974 28.085 > 93 97 P 0.12905928426636 0.12911012227245 0.92052517407831 30.974 > 97 98 P 0.62905928426636 0.12911012227245 0.92052517407831 30.974 > 97 99 P 0.12905928426636 0.62911012227245 0.92052517407831 30.974 > 97 100 P 0.62905928426636 0.62911012227245 0.92052517407831 30.974 > 97 101 P 0.37094071573364 0.37911012227245 0.57947482592169 30.974 > 101 102 P 0.87094071573364 0.37911012227245 0.57947482592169 30.974 > 101 103 P 0.37094071573364 0.87911012227245 0.57947482592169 30.974 > 101 104 P 0.87094071573364 0.87911012227245 0.57947482592169 30.974 > 101 105 P 0.37094071573364 0.37088987772755 0.07947482592169 30.974 > 105 106 P 0.87094071573364 0.37088987772755 0.07947482592169 30.974 > 105 107 P 0.37094071573364 0.87088987772755 0.07947482592169 30.974 > 105 108 P 0.87094071573364 0.87088987772755 0.07947482592169 30.974 > 105 109 P 0.12905928426636 0.12088987772755 0.42052517407831 30.974 > 109 110 P 0.62905928426636 0.12088987772755 0.42052517407831 30.974 > 109 111 P 0.12905928426636 0.62088987772755 0.42052517407831 30.974 > 109 112 P 0.62905928426636 0.62088987772755 0.42052517407831 30.974 > 109 113 P 0.35022701915697 0.11479630405078 0.77834511718419 30.974 > 113 114 P 0.85022701915697 0.11479630405078 0.77834511718419 30.974 > 113 115 P 0.35022701915697 0.61479630405078 0.77834511718419 30.974 > 113 116 P 0.85022701915697 0.61479630405078 0.77834511718419 30.974 > 113 117 P 0.14977298084303 0.36479630405078 0.72165488281581 30.974 > 117 118 P 0.64977298084303 0.36479630405078 0.72165488281581 30.974 > 117 119 P 0.14977298084303 0.86479630405078 0.72165488281581 30.974 > 117 120 P 0.64977298084303 0.86479630405078 0.72165488281581 30.974 > 117 121 P 0.14977298084303 0.38520369594922 0.22165488281581 30.974 > 121 122 P 0.64977298084303 0.38520369594922 0.22165488281581 30.974 > 121 123 P 0.14977298084303 0.88520369594922 0.22165488281581 30.974 > 121 124 P 0.64977298084303 0.88520369594922 0.22165488281581 30.974 > 121 125 P 0.35022701915697 0.13520369594922 0.27834511718419 30.974 > 125 126 P 0.85022701915697 0.13520369594922 0.27834511718419 30.974 > 125 127 P 0.35022701915697 0.63520369594922 0.27834511718419 30.974 > 125 128 P 0.85022701915697 0.63520369594922 0.27834511718419 30.974 > 125 129 P 0.01020651505303 0.34044199360084 0.43460682208477 30.974 > 129 130 P 0.51020651505303 0.34044199360084 0.43460682208477 30.974 > 129 131 P 0.01020651505303 0.84044199360084 0.43460682208477 30.974 > 129 132 P 0.51020651505303 0.84044199360084 0.43460682208477 30.974 > 129 133 P 0.48979348494697 0.09044199360084 0.06539317791523 30.974 > 133 134 P 0.98979348494697 0.09044199360084 0.06539317791523 30.974 > 133 135 P 0.48979348494697 0.59044199360084 0.06539317791523 30.974 > 133 136 P 0.98979348494697 0.59044199360084 0.06539317791523 30.974 > 133 137 P 0.48979348494697 0.15955800639916 0.56539317791523 30.974 > 137 138 P 0.98979348494697 0.15955800639916 0.56539317791523 30.974 > 137 139 P 0.48979348494697 0.65955800639916 0.56539317791523 30.974 > 137 140 P 0.98979348494697 0.65955800639916 0.56539317791523 30.974 > 137 141 P 0.01020651505303 0.40955800639916 0.93460682208477 30.974 > 141 142 P 0.51020651505303 0.40955800639916 0.93460682208477 30.974 > 141 143 P 0.01020651505303 0.90955800639916 0.93460682208477 30.974 > 141 144 P 0.51020651505303 0.90955800639916 0.93460682208477 30.974 > 141----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.6302972 0.0000000 0.1263137 0.0000000 7.4094209 0.0000000 0.1262864 0.0000000 7.6163608-------------------------- Born effective charges -------------------------- 1 Na 0.9356833 0.0824265 -0.3338358 0.0975980 1.1576510 -0.1215263 -0.3002486 -0.1627011 1.2569488 2 Na 0.9356833 -0.0824265 -0.3338358 -0.0975980 1.1576510 0.1215263 -0.3002486 0.1627011 1.2569488 3 Na 0.9356833 0.0824265 -0.3338358 0.0975980 1.1576510 -0.1215263 -0.3002486 -0.1627011 1.2569488 4 Na 0.9356833 -0.0824265 -0.3338358 -0.0975980 1.1576510 0.1215263 -0.3002486 0.1627011 1.2569488 5 Na 1.3648445 -0.0059329 0.1853820 0.0465440 0.8785267 0.0629499 0.1521136 0.0671637 1.0969682 6 Na 1.3648445 0.0059329 0.1853820 -0.0465440 0.8785267 -0.0629499 0.1521136 -0.0671637 1.0969682 7 Na 1.3648445 -0.0059329 0.1853820 0.0465440 0.8785267 0.0629499 0.1521136 0.0671637 1.0969682 8 Na 1.3648445 0.0059329 0.1853820 -0.0465440 0.8785267 -0.0629499 0.1521136 -0.0671637 1.0969682 9 Na 0.9444994 -0.1707673 0.1505967 -0.0282115 1.4957783 0.1209501 0.1324904 0.0290739 1.0477843 10 Na 0.9444994 0.1707673 0.1505967 0.0282115 1.4957783 -0.1209501 0.1324904 -0.0290739 1.0477843 11 Na 0.9444994 -0.1707673 0.1505967 -0.0282115 1.4957783 0.1209501 0.1324904 0.0290739 1.0477843 12 Na 0.9444994 0.1707673 0.1505967 0.0282115 1.4957783 -0.1209501 0.1324904 -0.0290739 1.0477843 13 Na 1.0583265 0.0774415 -0.1470880 0.1401223 0.9483244 0.2384703 0.1518006 0.1781899 0.9983020 14 Na 1.0583265 -0.0774415 -0.1470880 -0.1401223 0.9483244 -0.2384703 0.1518006 -0.1781899 0.9983020 15 Na 1.0583265 0.0774415 -0.1470880 0.1401223 0.9483244 0.2384703 0.1518006 0.1781899 0.9983020 16 Na 1.0583265 -0.0774415 -0.1470880 -0.1401223 0.9483244 -0.2384703 0.1518006 -0.1781899 0.9983020 17 Na 1.0975773 0.0854724 0.1526108 -0.0580370 1.0689731 0.1706038 -0.0994377 0.0172413 1.0055089 18 Na 1.0975773 -0.0854724 0.1526108 0.0580370 1.0689731 -0.1706038 -0.0994377 -0.0172413 1.0055089 19 Na 1.0975773 0.0854724 0.1526108 -0.0580370 1.0689731 0.1706038 -0.0994377 0.0172413 1.0055089 20 Na 1.0975773 -0.0854724 0.1526108 0.0580370 1.0689731 -0.1706038 -0.0994377 -0.0172413 1.0055089 21 Si 2.5497227 -0.7066024 0.2555970 -0.7297458 1.4963963 1.0548564 0.2298921 1.1460848 2.2900037 22 Si 2.5497227 0.7066024 0.2555970 0.7297458 1.4963963 -1.0548564 0.2298921 -1.1460848 2.2900037 23 Si 2.5497227 -0.7066024 0.2555970 -0.7297458 1.4963963 1.0548564 0.2298921 1.1460848 2.2900037 24 Si 2.5497227 0.7066024 0.2555970 0.7297458 1.4963963 -1.0548564 0.2298921 -1.1460848 2.2900037 25 P -3.5145763 -0.6323043 -0.1110327 -0.6954599 -2.1993474 -0.0624540 0.0779109 0.0899899 -2.1246567 26 P -3.5145763 0.6323043 -0.1110327 0.6954599 -2.1993474 0.0624540 0.0779109 -0.0899899 -2.1246567 27 P -3.5145763 -0.6323043 -0.1110327 -0.6954599 -2.1993474 -0.0624540 0.0779109 0.0899899 -2.1246567 28 P -3.5145763 0.6323043 -0.1110327 0.6954599 -2.1993474 0.0624540 0.0779109 -0.0899899 -2.1246567 29 P -2.6141265 0.2002432 -0.6514617 0.1627213 -2.1146932 0.5166129 -0.9026254 0.4891906 -3.0859273 30 P -2.6141265 -0.2002432 -0.6514617 -0.1627213 -2.1146932 -0.5166129 -0.9026254 -0.4891906 -3.0859273 31 P -2.6141265 0.2002432 -0.6514617 0.1627213 -2.1146932 0.5166129 -0.9026254 0.4891906 -3.0859273 32 P -2.6141265 -0.2002432 -0.6514617 -0.1627213 -2.1146932 -0.5166129 -0.9026254 -0.4891906 -3.0859273 33 P -1.8219509 0.1362214 0.4992316 0.1359589 -2.7316092 -0.3823397 0.5581039 -0.5038008 -2.4849320 34 P -1.8219509 -0.1362214 0.4992316 -0.1359589 -2.7316092 0.3823397 0.5581039 0.5038008 -2.4849320 35 P -1.8219509 0.1362214 0.4992316 0.1359589 -2.7316092 -0.3823397 0.5581039 -0.5038008 -2.4849320 36 P -1.8219509 -0.1362214 0.4992316 -0.1359589 -2.7316092 0.3823397 0.5581039 0.5038008 -2.4849320----------------------------------------------------------------------------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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]Computing fc3[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]Computing fc3[ 113, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]Computing fc3[ 129, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 21:07:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 21:07:28]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.893928200120021 0.000000000000000 0.000000000000000 b 0.000000000000000 7.265257570000000 0.000000000000000 c -7.761236159761848 0.000000000000000 13.011535948485506Atomic positions (fractional): 1 Na 0.94390425624474 0.49213074547843 0.75722240284660 22.990 2 Na 0.05609574375526 0.99213074547843 0.74277759715340 22.990 3 Na 0.05609574375526 0.50786925452157 0.24277759715340 22.990 4 Na 0.94390425624474 0.00786925452157 0.25722240284660 22.990 5 Na 0.58515211555087 0.01516028038715 0.91157330089232 22.990 6 Na 0.41484788444913 0.51516028038715 0.58842669910768 22.990 7 Na 0.41484788444913 0.98483971961285 0.08842669910768 22.990 8 Na 0.58515211555087 0.48483971961285 0.41157330089232 22.990 9 Na 0.24442380825628 0.47160360932354 0.08188801926702 22.990 10 Na 0.75557619174372 0.97160360932354 0.41811198073298 22.990 11 Na 0.75557619174372 0.52839639067646 0.91811198073298 22.990 12 Na 0.24442380825628 0.02839639067646 0.58188801926702 22.990 13 Na 0.66356262072405 0.84459389271051 0.74124328381202 22.990 14 Na 0.33643737927595 0.34459389271051 0.75875671618798 22.990 15 Na 0.33643737927595 0.15540610728949 0.25875671618798 22.990 16 Na 0.66356262072405 0.65540610728949 0.24124328381202 22.990 17 Na 0.34154111904222 0.66336082213685 0.91906662085503 22.990 18 Na 0.65845888095778 0.16336082213685 0.58093337914497 22.990 19 Na 0.65845888095778 0.33663917786315 0.08093337914497 22.990 20 Na 0.34154111904222 0.83663917786315 0.41906662085503 22.990 21 Si 0.98789661915535 0.36163685013937 0.41660455314974 28.085 22 Si 0.01210338084465 0.86163685013937 0.08339544685026 28.085 23 Si 0.01210338084465 0.63836314986063 0.58339544685026 28.085 24 Si 0.98789661915535 0.13836314986063 0.91660455314974 28.085 25 P 0.25811856853272 0.25822024454490 0.92052517407831 30.974 26 P 0.74188143146728 0.75822024454490 0.57947482592169 30.974 27 P 0.74188143146728 0.74177975545510 0.07947482592169 30.974 28 P 0.25811856853272 0.24177975545510 0.42052517407831 30.974 29 P 0.70045403831395 0.22959260810155 0.77834511718419 30.974 30 P 0.29954596168606 0.72959260810155 0.72165488281581 30.974 31 P 0.29954596168606 0.77040739189845 0.22165488281581 30.974 32 P 0.70045403831395 0.27040739189845 0.27834511718419 30.974 33 P 0.02041303010606 0.68088398720167 0.43460682208477 30.974 34 P 0.97958696989395 0.18088398720167 0.06539317791523 30.974 35 P 0.97958696989395 0.31911601279833 0.56539317791523 30.974 36 P 0.02041303010606 0.81911601279833 0.93460682208477 30.974-------------------------------- supercell ---------------------------------Lattice vectors: a 15.787856400240042 0.000000000000000 0.000000000000000 b 0.000000000000000 14.530515140000000 0.000000000000000 c -7.761236159761848 0.000000000000000 13.011535948485506Atomic positions (fractional): 1 Na 0.47195212812237 0.24606537273921 0.75722240284660 22.990 > 1 2 Na 0.97195212812237 0.24606537273921 0.75722240284660 22.990 > 1 3 Na 0.47195212812237 0.74606537273921 0.75722240284660 22.990 > 1 4 Na 0.97195212812237 0.74606537273921 0.75722240284660 22.990 > 1 5 Na 0.02804787187763 0.49606537273921 0.74277759715340 22.990 > 5 6 Na 0.52804787187763 0.49606537273921 0.74277759715340 22.990 > 5 7 Na 0.02804787187763 0.99606537273921 0.74277759715340 22.990 > 5 8 Na 0.52804787187763 0.99606537273921 0.74277759715340 22.990 > 5 9 Na 0.02804787187763 0.25393462726079 0.24277759715340 22.990 > 9 10 Na 0.52804787187763 0.25393462726079 0.24277759715340 22.990 > 9 11 Na 0.02804787187763 0.75393462726079 0.24277759715340 22.990 > 9 12 Na 0.52804787187763 0.75393462726079 0.24277759715340 22.990 > 9 13 Na 0.47195212812237 0.00393462726079 0.25722240284660 22.990 > 13 14 Na 0.97195212812237 0.00393462726079 0.25722240284660 22.990 > 13 15 Na 0.47195212812237 0.50393462726079 0.25722240284660 22.990 > 13 16 Na 0.97195212812237 0.50393462726079 0.25722240284660 22.990 > 13 17 Na 0.29257605777543 0.00758014019357 0.91157330089232 22.990 > 17 18 Na 0.79257605777543 0.00758014019357 0.91157330089232 22.990 > 17 19 Na 0.29257605777543 0.50758014019358 0.91157330089232 22.990 > 17 20 Na 0.79257605777543 0.50758014019358 0.91157330089232 22.990 > 17 21 Na 0.20742394222457 0.25758014019358 0.58842669910768 22.990 > 21 22 Na 0.70742394222457 0.25758014019358 0.58842669910768 22.990 > 21 23 Na 0.20742394222457 0.75758014019358 0.58842669910768 22.990 > 21 24 Na 0.70742394222457 0.75758014019358 0.58842669910768 22.990 > 21 25 Na 0.20742394222457 0.49241985980642 0.08842669910768 22.990 > 25 26 Na 0.70742394222457 0.49241985980642 0.08842669910768 22.990 > 25 27 Na 0.20742394222457 0.99241985980642 0.08842669910768 22.990 > 25 28 Na 0.70742394222457 0.99241985980642 0.08842669910768 22.990 > 25 29 Na 0.29257605777543 0.24241985980642 0.41157330089232 22.990 > 29 30 Na 0.79257605777543 0.24241985980642 0.41157330089232 22.990 > 29 31 Na 0.29257605777543 0.74241985980642 0.41157330089232 22.990 > 29 32 Na 0.79257605777543 0.74241985980642 0.41157330089232 22.990 > 29 33 Na 0.12221190412814 0.23580180466177 0.08188801926702 22.990 > 33 34 Na 0.62221190412814 0.23580180466177 0.08188801926702 22.990 > 33 35 Na 0.12221190412814 0.73580180466177 0.08188801926702 22.990 > 33 36 Na 0.62221190412814 0.73580180466177 0.08188801926702 22.990 > 33 37 Na 0.37778809587186 0.48580180466177 0.41811198073298 22.990 > 37 38 Na 0.87778809587186 0.48580180466177 0.41811198073298 22.990 > 37 39 Na 0.37778809587186 0.98580180466177 0.41811198073298 22.990 > 37 40 Na 0.87778809587186 0.98580180466177 0.41811198073298 22.990 > 37 41 Na 0.37778809587186 0.26419819533823 0.91811198073298 22.990 > 41 42 Na 0.87778809587186 0.26419819533823 0.91811198073298 22.990 > 41 43 Na 0.37778809587186 0.76419819533823 0.91811198073298 22.990 > 41 44 Na 0.87778809587186 0.76419819533823 0.91811198073298 22.990 > 41 45 Na 0.12221190412814 0.01419819533823 0.58188801926702 22.990 > 45 46 Na 0.62221190412814 0.01419819533823 0.58188801926702 22.990 > 45 47 Na 0.12221190412814 0.51419819533823 0.58188801926702 22.990 > 45 48 Na 0.62221190412814 0.51419819533823 0.58188801926702 22.990 > 45 49 Na 0.33178131036203 0.42229694635526 0.74124328381202 22.990 > 49 50 Na 0.83178131036203 0.42229694635526 0.74124328381202 22.990 > 49 51 Na 0.33178131036203 0.92229694635526 0.74124328381202 22.990 > 49 52 Na 0.83178131036203 0.92229694635526 0.74124328381202 22.990 > 49 53 Na 0.16821868963798 0.17229694635526 0.75875671618798 22.990 > 53 54 Na 0.66821868963798 0.17229694635526 0.75875671618798 22.990 > 53 55 Na 0.16821868963798 0.67229694635526 0.75875671618798 22.990 > 53 56 Na 0.66821868963798 0.67229694635526 0.75875671618798 22.990 > 53 57 Na 0.16821868963798 0.07770305364474 0.25875671618798 22.990 > 57 58 Na 0.66821868963798 0.07770305364474 0.25875671618798 22.990 > 57 59 Na 0.16821868963798 0.57770305364474 0.25875671618798 22.990 > 57 60 Na 0.66821868963798 0.57770305364474 0.25875671618798 22.990 > 57 61 Na 0.33178131036203 0.32770305364474 0.24124328381202 22.990 > 61 62 Na 0.83178131036203 0.32770305364474 0.24124328381202 22.990 > 61 63 Na 0.33178131036203 0.82770305364474 0.24124328381202 22.990 > 61 64 Na 0.83178131036203 0.82770305364474 0.24124328381202 22.990 > 61 65 Na 0.17077055952111 0.33168041106842 0.91906662085503 22.990 > 65 66 Na 0.67077055952111 0.33168041106842 0.91906662085503 22.990 > 65 67 Na 0.17077055952111 0.83168041106842 0.91906662085503 22.990 > 65 68 Na 0.67077055952111 0.83168041106842 0.91906662085503 22.990 > 65 69 Na 0.32922944047889 0.08168041106842 0.58093337914497 22.990 > 69 70 Na 0.82922944047889 0.08168041106842 0.58093337914497 22.990 > 69 71 Na 0.32922944047889 0.58168041106842 0.58093337914497 22.990 > 69 72 Na 0.82922944047889 0.58168041106842 0.58093337914497 22.990 > 69 73 Na 0.32922944047889 0.16831958893158 0.08093337914497 22.990 > 73 74 Na 0.82922944047889 0.16831958893158 0.08093337914497 22.990 > 73 75 Na 0.32922944047889 0.66831958893158 0.08093337914497 22.990 > 73 76 Na 0.82922944047889 0.66831958893158 0.08093337914497 22.990 > 73 77 Na 0.17077055952111 0.41831958893158 0.41906662085503 22.990 > 77 78 Na 0.67077055952111 0.41831958893158 0.41906662085503 22.990 > 77 79 Na 0.17077055952111 0.91831958893158 0.41906662085503 22.990 > 77 80 Na 0.67077055952111 0.91831958893158 0.41906662085503 22.990 > 77 81 Si 0.49394830957767 0.18081842506969 0.41660455314974 28.085 > 81 82 Si 0.99394830957767 0.18081842506969 0.41660455314974 28.085 > 81 83 Si 0.49394830957767 0.68081842506969 0.41660455314974 28.085 > 81 84 Si 0.99394830957767 0.68081842506969 0.41660455314974 28.085 > 81 85 Si 0.00605169042233 0.43081842506969 0.08339544685026 28.085 > 85 86 Si 0.50605169042233 0.43081842506969 0.08339544685026 28.085 > 85 87 Si 0.00605169042233 0.93081842506969 0.08339544685026 28.085 > 85 88 Si 0.50605169042233 0.93081842506969 0.08339544685026 28.085 > 85 89 Si 0.00605169042233 0.31918157493031 0.58339544685026 28.085 > 89 90 Si 0.50605169042233 0.31918157493031 0.58339544685026 28.085 > 89 91 Si 0.00605169042233 0.81918157493031 0.58339544685026 28.085 > 89 92 Si 0.50605169042233 0.81918157493031 0.58339544685026 28.085 > 89 93 Si 0.49394830957767 0.06918157493031 0.91660455314974 28.085 > 93 94 Si 0.99394830957767 0.06918157493031 0.91660455314974 28.085 > 93 95 Si 0.49394830957767 0.56918157493031 0.91660455314974 28.085 > 93 96 Si 0.99394830957767 0.56918157493031 0.91660455314974 28.085 > 93 97 P 0.12905928426636 0.12911012227245 0.92052517407831 30.974 > 97 98 P 0.62905928426636 0.12911012227245 0.92052517407831 30.974 > 97 99 P 0.12905928426636 0.62911012227245 0.92052517407831 30.974 > 97 100 P 0.62905928426636 0.62911012227245 0.92052517407831 30.974 > 97 101 P 0.37094071573364 0.37911012227245 0.57947482592169 30.974 > 101 102 P 0.87094071573364 0.37911012227245 0.57947482592169 30.974 > 101 103 P 0.37094071573364 0.87911012227245 0.57947482592169 30.974 > 101 104 P 0.87094071573364 0.87911012227245 0.57947482592169 30.974 > 101 105 P 0.37094071573364 0.37088987772755 0.07947482592169 30.974 > 105 106 P 0.87094071573364 0.37088987772755 0.07947482592169 30.974 > 105 107 P 0.37094071573364 0.87088987772755 0.07947482592169 30.974 > 105 108 P 0.87094071573364 0.87088987772755 0.07947482592169 30.974 > 105 109 P 0.12905928426636 0.12088987772755 0.42052517407831 30.974 > 109 110 P 0.62905928426636 0.12088987772755 0.42052517407831 30.974 > 109 111 P 0.12905928426636 0.62088987772755 0.42052517407831 30.974 > 109 112 P 0.62905928426636 0.62088987772755 0.42052517407831 30.974 > 109 113 P 0.35022701915697 0.11479630405078 0.77834511718419 30.974 > 113 114 P 0.85022701915697 0.11479630405078 0.77834511718419 30.974 > 113 115 P 0.35022701915697 0.61479630405078 0.77834511718419 30.974 > 113 116 P 0.85022701915697 0.61479630405078 0.77834511718419 30.974 > 113 117 P 0.14977298084303 0.36479630405078 0.72165488281581 30.974 > 117 118 P 0.64977298084303 0.36479630405078 0.72165488281581 30.974 > 117 119 P 0.14977298084303 0.86479630405078 0.72165488281581 30.974 > 117 120 P 0.64977298084303 0.86479630405078 0.72165488281581 30.974 > 117 121 P 0.14977298084303 0.38520369594922 0.22165488281581 30.974 > 121 122 P 0.64977298084303 0.38520369594922 0.22165488281581 30.974 > 121 123 P 0.14977298084303 0.88520369594922 0.22165488281581 30.974 > 121 124 P 0.64977298084303 0.88520369594922 0.22165488281581 30.974 > 121 125 P 0.35022701915697 0.13520369594922 0.27834511718419 30.974 > 125 126 P 0.85022701915697 0.13520369594922 0.27834511718419 30.974 > 125 127 P 0.35022701915697 0.63520369594922 0.27834511718419 30.974 > 125 128 P 0.85022701915697 0.63520369594922 0.27834511718419 30.974 > 125 129 P 0.01020651505303 0.34044199360084 0.43460682208477 30.974 > 129 130 P 0.51020651505303 0.34044199360084 0.43460682208477 30.974 > 129 131 P 0.01020651505303 0.84044199360084 0.43460682208477 30.974 > 129 132 P 0.51020651505303 0.84044199360084 0.43460682208477 30.974 > 129 133 P 0.48979348494697 0.09044199360084 0.06539317791523 30.974 > 133 134 P 0.98979348494697 0.09044199360084 0.06539317791523 30.974 > 133 135 P 0.48979348494697 0.59044199360084 0.06539317791523 30.974 > 133 136 P 0.98979348494697 0.59044199360084 0.06539317791523 30.974 > 133 137 P 0.48979348494697 0.15955800639916 0.56539317791523 30.974 > 137 138 P 0.98979348494697 0.15955800639916 0.56539317791523 30.974 > 137 139 P 0.48979348494697 0.65955800639916 0.56539317791523 30.974 > 137 140 P 0.98979348494697 0.65955800639916 0.56539317791523 30.974 > 137 141 P 0.01020651505303 0.40955800639916 0.93460682208477 30.974 > 141 142 P 0.51020651505303 0.40955800639916 0.93460682208477 30.974 > 141 143 P 0.01020651505303 0.90955800639916 0.93460682208477 30.974 > 141 144 P 0.51020651505303 0.90955800639916 0.93460682208477 30.974 > 141----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 7.6302972 0.0000000 0.1263137 0.0000000 7.4094209 0.0000000 0.1262864 0.0000000 7.6163608-------------------------- Born effective charges -------------------------- 1 Na 0.9356833 0.0824265 -0.3338358 0.0975980 1.1576510 -0.1215263 -0.3002486 -0.1627011 1.2569488 2 Na 0.9356833 -0.0824265 -0.3338358 -0.0975980 1.1576510 0.1215263 -0.3002486 0.1627011 1.2569488 3 Na 0.9356833 0.0824265 -0.3338358 0.0975980 1.1576510 -0.1215263 -0.3002486 -0.1627011 1.2569488 4 Na 0.9356833 -0.0824265 -0.3338358 -0.0975980 1.1576510 0.1215263 -0.3002486 0.1627011 1.2569488 5 Na 1.3648445 -0.0059329 0.1853820 0.0465440 0.8785267 0.0629499 0.1521136 0.0671637 1.0969682 6 Na 1.3648445 0.0059329 0.1853820 -0.0465440 0.8785267 -0.0629499 0.1521136 -0.0671637 1.0969682 7 Na 1.3648445 -0.0059329 0.1853820 0.0465440 0.8785267 0.0629499 0.1521136 0.0671637 1.0969682 8 Na 1.3648445 0.0059329 0.1853820 -0.0465440 0.8785267 -0.0629499 0.1521136 -0.0671637 1.0969682 9 Na 0.9444994 -0.1707673 0.1505967 -0.0282115 1.4957783 0.1209501 0.1324904 0.0290739 1.0477843 10 Na 0.9444994 0.1707673 0.1505967 0.0282115 1.4957783 -0.1209501 0.1324904 -0.0290739 1.0477843 11 Na 0.9444994 -0.1707673 0.1505967 -0.0282115 1.4957783 0.1209501 0.1324904 0.0290739 1.0477843 12 Na 0.9444994 0.1707673 0.1505967 0.0282115 1.4957783 -0.1209501 0.1324904 -0.0290739 1.0477843 13 Na 1.0583265 0.0774415 -0.1470880 0.1401223 0.9483244 0.2384703 0.1518006 0.1781899 0.9983020 14 Na 1.0583265 -0.0774415 -0.1470880 -0.1401223 0.9483244 -0.2384703 0.1518006 -0.1781899 0.9983020 15 Na 1.0583265 0.0774415 -0.1470880 0.1401223 0.9483244 0.2384703 0.1518006 0.1781899 0.9983020 16 Na 1.0583265 -0.0774415 -0.1470880 -0.1401223 0.9483244 -0.2384703 0.1518006 -0.1781899 0.9983020 17 Na 1.0975773 0.0854724 0.1526108 -0.0580370 1.0689731 0.1706038 -0.0994377 0.0172413 1.0055089 18 Na 1.0975773 -0.0854724 0.1526108 0.0580370 1.0689731 -0.1706038 -0.0994377 -0.0172413 1.0055089 19 Na 1.0975773 0.0854724 0.1526108 -0.0580370 1.0689731 0.1706038 -0.0994377 0.0172413 1.0055089 20 Na 1.0975773 -0.0854724 0.1526108 0.0580370 1.0689731 -0.1706038 -0.0994377 -0.0172413 1.0055089 21 Si 2.5497227 -0.7066024 0.2555970 -0.7297458 1.4963963 1.0548564 0.2298921 1.1460848 2.2900037 22 Si 2.5497227 0.7066024 0.2555970 0.7297458 1.4963963 -1.0548564 0.2298921 -1.1460848 2.2900037 23 Si 2.5497227 -0.7066024 0.2555970 -0.7297458 1.4963963 1.0548564 0.2298921 1.1460848 2.2900037 24 Si 2.5497227 0.7066024 0.2555970 0.7297458 1.4963963 -1.0548564 0.2298921 -1.1460848 2.2900037 25 P -3.5145763 -0.6323043 -0.1110327 -0.6954599 -2.1993474 -0.0624540 0.0779109 0.0899899 -2.1246567 26 P -3.5145763 0.6323043 -0.1110327 0.6954599 -2.1993474 0.0624540 0.0779109 -0.0899899 -2.1246567 27 P -3.5145763 -0.6323043 -0.1110327 -0.6954599 -2.1993474 -0.0624540 0.0779109 0.0899899 -2.1246567 28 P -3.5145763 0.6323043 -0.1110327 0.6954599 -2.1993474 0.0624540 0.0779109 -0.0899899 -2.1246567 29 P -2.6141265 0.2002432 -0.6514617 0.1627213 -2.1146932 0.5166129 -0.9026254 0.4891906 -3.0859273 30 P -2.6141265 -0.2002432 -0.6514617 -0.1627213 -2.1146932 -0.5166129 -0.9026254 -0.4891906 -3.0859273 31 P -2.6141265 0.2002432 -0.6514617 0.1627213 -2.1146932 0.5166129 -0.9026254 0.4891906 -3.0859273 32 P -2.6141265 -0.2002432 -0.6514617 -0.1627213 -2.1146932 -0.5166129 -0.9026254 -0.4891906 -3.0859273 33 P -1.8219509 0.1362214 0.4992316 0.1359589 -2.7316092 -0.3823397 0.5581039 -0.5038008 -2.4849320 34 P -1.8219509 -0.1362214 0.4992316 -0.1359589 -2.7316092 0.3823397 0.5581039 0.5038008 -2.4849320 35 P -1.8219509 0.1362214 0.4992316 0.1359589 -2.7316092 -0.3823397 0.5581039 -0.5038008 -2.4849320 36 P -1.8219509 -0.1362214 0.4992316 -0.1359589 -2.7316092 0.3823397 0.5581039 0.5038008 -2.4849320----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 7 7 4 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 291, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/60) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 1.540 ( 0.000 0.000 0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.786 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.761 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 0.000) 0.000 4.083 ( 0.000 0.000 0.000) 0.000 4.157 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.475 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 0.000) 0.000 4.593 ( 0.000 0.000 0.000) 0.000 4.616 ( 0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.760 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.154 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.530 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 5.998 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.233 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.500 ( 0.000 0.000 0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 6.656 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 6.757 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 6.975 ( 0.000 0.000 0.000) 0.000 7.062 ( 0.000 0.000 0.000) 0.000 7.063 ( 0.000 0.000 0.000) 0.000 7.195 ( 0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 7.351 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 7.563 ( 0.000 0.000 0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 7.623 ( 0.000 0.000 0.000) 0.000 9.566 ( 0.000 0.000 0.000) 0.000 9.656 ( 0.000 0.000 0.000) 0.000 9.836 ( 0.000 0.000 0.000) 0.000 9.845 ( 0.000 0.000 0.000) 0.000 10.316 ( 0.000 0.000 0.000) 0.000 10.418 ( 0.000 0.000 0.000) 0.000 11.626 ( 0.000 0.000 0.000) 0.000 11.699 ( 0.000 0.000 0.000) 0.000 12.494 ( 0.000 0.000 0.000) 0.000 12.554 ( 0.000 0.000 0.000) 0.000 12.728 ( 0.000 0.000 0.000) 0.000 12.753 ( 0.000 0.000 0.000) 0.000 12.934 ( 0.000 0.000 0.000) 0.000 12.954 ( 0.000 0.000 0.000) 0.000 13.051 ( 0.000 0.000 0.000) 0.000 13.245 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/60) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.511 ( 17.044 0.000 15.599) 23.105 0.667 ( 28.783 0.000 10.978) 30.805 1.105 ( 45.933 0.000 15.418) 48.452 1.366 ( -1.180 0.000 -15.590) 15.634 1.851 ( 7.461 0.000 5.463) 9.247 2.036 ( 0.755 0.000 -15.362) 15.380 2.110 ( -9.505 0.000 -13.381) 16.413 2.397 ( -2.705 0.000 7.599) 8.066 2.503 ( 3.641 0.000 -0.210) 3.647 2.555 ( -0.509 0.000 3.841) 3.875 2.595 ( 0.669 0.000 11.127) 11.147 2.695 ( -0.967 0.000 0.232) 0.995 2.718 ( -4.771 0.000 4.366) 6.467 2.726 ( -5.417 0.000 3.175) 6.279 2.973 ( -4.612 0.000 4.938) 6.757 3.091 ( 0.329 0.000 -3.429) 3.445 3.164 ( -2.935 0.000 -7.022) 7.611 3.242 ( 4.705 0.000 5.584) 7.302 3.261 ( 6.004 0.000 -3.619) 7.010 3.298 ( 2.257 0.000 1.787) 2.879 3.371 ( -1.806 0.000 5.319) 5.617 3.418 ( -1.470 0.000 1.792) 2.318 3.438 ( 2.932 0.000 3.662) 4.691 3.493 ( -1.162 0.000 1.142) 1.629 3.575 ( 2.231 0.000 -3.055) 3.783 3.721 ( -0.470 0.000 4.280) 4.306 3.747 ( 1.728 0.000 -1.968) 2.619 3.786 ( -3.071 0.000 -1.965) 3.646 3.922 ( 2.440 0.000 -3.405) 4.189 3.941 ( -1.213 0.000 1.927) 2.277 3.956 ( -1.950 0.000 -5.908) 6.222 4.012 ( -0.217 0.000 -0.706) 0.739 4.114 ( 0.233 0.000 2.379) 2.390 4.132 ( -0.560 0.000 -0.297) 0.634 4.215 ( 1.511 0.000 -5.260) 5.473 4.328 ( -0.206 0.000 -0.907) 0.930 4.343 ( 5.773 0.000 0.188) 5.776 4.473 ( 3.539 0.000 1.715) 3.932 4.505 ( -2.423 0.000 -2.245) 3.304 4.513 ( 0.833 0.000 2.118) 2.276 4.590 ( -2.111 0.000 1.839) 2.800 4.615 ( -11.764 0.000 -6.807) 13.592 4.628 ( -2.248 0.000 -1.336) 2.615 4.667 ( 1.805 0.000 2.854) 3.377 4.737 ( 0.585 0.000 0.840) 1.024 4.766 ( 3.124 0.000 3.368) 4.594 4.943 ( 1.863 0.000 -5.429) 5.739 4.989 ( -3.362 0.000 -2.179) 4.007 5.025 ( -1.086 0.000 1.449) 1.811 5.058 ( -2.638 0.000 2.805) 3.850 5.118 ( -6.432 0.000 -3.489) 7.318 5.177 ( 4.815 0.000 -0.503) 4.841 5.219 ( 5.803 0.000 1.032) 5.894 5.246 ( 1.305 0.000 -4.451) 4.638 5.253 ( 5.388 0.000 -0.644) 5.426 5.321 ( -6.362 0.000 -1.494) 6.535 5.361 ( 0.749 0.000 1.380) 1.570 5.389 ( -2.786 0.000 -6.025) 6.638 5.427 ( 1.496 0.000 -3.998) 4.269 5.452 ( -0.155 0.000 4.933) 4.935 5.532 ( 3.500 0.000 -0.666) 3.563 5.579 ( -0.444 0.000 2.756) 2.791 5.605 ( -8.234 0.000 -0.453) 8.246 5.649 ( 6.135 0.000 -3.549) 7.087 5.825 ( -1.838 0.000 0.674) 1.957 5.879 ( 4.715 0.000 2.127) 5.172 5.944 ( -1.381 0.000 -3.517) 3.779 6.005 ( 3.923 0.000 -1.181) 4.097 6.060 ( 7.170 0.000 1.724) 7.374 6.183 ( -4.370 0.000 -1.685) 4.684 6.211 ( -0.253 0.000 7.277) 7.281 6.285 ( 0.096 0.000 -3.806) 3.807 6.373 ( 4.830 0.000 -7.313) 8.765 6.472 ( -4.003 0.000 5.454) 6.766 6.492 ( 1.604 0.000 -4.140) 4.440 6.633 ( -3.099 0.000 -0.929) 3.235 6.638 ( -10.217 0.000 8.095) 13.035 6.681 ( -7.324 0.000 -1.480) 7.472 6.709 ( 4.669 0.000 8.418) 9.626 6.731 ( -2.043 0.000 0.041) 2.044 6.879 ( -3.571 0.000 -0.943) 3.694 6.996 ( -0.450 0.000 1.980) 2.031 7.069 ( -1.176 0.000 -3.379) 3.577 7.070 ( 0.968 0.000 0.289) 1.010 7.163 ( -1.739 0.000 -2.348) 2.922 7.337 ( 0.529 0.000 1.268) 1.374 7.357 ( -0.992 0.000 0.043) 0.993 7.463 ( -2.271 0.000 4.249) 4.818 7.502 ( 0.331 0.000 -0.649) 0.729 7.583 ( -1.901 0.000 2.171) 2.886 7.597 ( -1.205 0.000 -1.956) 2.297 7.740 ( 5.720 0.000 -0.901) 5.790 9.580 ( 0.920 0.000 0.727) 1.173 9.660 ( 1.043 0.000 -1.259) 1.635 9.839 ( 0.123 0.000 0.210) 0.243 9.854 ( 0.854 0.000 0.024) 0.854 10.330 ( 1.050 0.000 0.704) 1.264 10.414 ( 0.046 0.000 -0.596) 0.598 11.614 ( 0.228 0.000 -3.717) 3.724 11.728 ( -0.602 0.000 5.345) 5.379 12.464 ( -3.241 0.000 2.193) 3.913 12.722 ( -3.223 0.000 -0.793) 3.319 12.732 ( 3.568 0.000 2.917) 4.609 12.936 ( 0.776 0.000 -3.910) 3.987 12.989 ( 2.789 0.000 0.994) 2.961 12.996 ( -2.381 0.000 0.423) 2.418 13.282 ( 5.199 0.000 -3.975) 6.544 13.599 ( 0.085 0.000 -0.445) 0.453======================= Grid point 2 (3/60) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.954 ( 14.546 0.000 14.344) 20.429 1.182 ( 16.132 0.000 1.771) 16.229 1.441 ( 22.439 0.000 0.542) 22.445 1.778 ( 17.431 0.000 1.124) 17.467 1.788 ( -4.594 0.000 -11.793) 12.656 1.929 ( 8.763 0.000 -15.296) 17.628 2.260 ( 15.162 0.000 9.174) 17.721 2.400 ( -3.049 0.000 3.070) 4.327 2.532 ( -4.268 0.000 1.328) 4.469 2.579 ( -0.174 0.000 0.360) 0.400 2.581 ( 3.768 0.000 -6.556) 7.562 2.675 ( -5.588 0.000 8.826) 10.446 2.772 ( 0.352 0.000 10.586) 10.592 2.780 ( 1.870 0.000 9.252) 9.439 2.845 ( -11.024 0.000 0.154) 11.025 3.045 ( -2.767 0.000 0.263) 2.779 3.080 ( 2.233 0.000 -3.015) 3.752 3.215 ( -12.271 0.000 5.378) 13.397 3.318 ( 7.116 0.000 -6.924) 9.928 3.352 ( 2.224 0.000 -2.855) 3.619 3.357 ( 0.874 0.000 0.884) 1.243 3.399 ( -5.020 0.000 -0.491) 5.044 3.463 ( -2.126 0.000 -2.433) 3.231 3.543 ( 0.005 0.000 3.564) 3.564 3.694 ( 8.926 0.000 2.691) 9.323 3.701 ( -0.683 0.000 -2.965) 3.043 3.762 ( -2.506 0.000 -0.026) 2.506 3.787 ( 0.977 0.000 1.164) 1.519 3.796 ( -3.168 0.000 -0.188) 3.173 3.898 ( -3.249 0.000 1.728) 3.680 3.987 ( 0.603 0.000 -3.208) 3.264 4.027 ( 11.054 0.000 -7.960) 13.621 4.123 ( 1.770 0.000 -5.296) 5.583 4.125 ( 1.916 0.000 -1.207) 2.264 4.206 ( 3.303 0.000 -1.173) 3.505 4.311 ( 1.007 0.000 0.829) 1.304 4.383 ( -6.668 0.000 1.865) 6.924 4.425 ( -1.330 0.000 0.571) 1.447 4.492 ( -1.544 0.000 2.341) 2.804 4.510 ( -0.057 0.000 0.707) 0.709 4.536 ( 0.936 0.000 -0.844) 1.260 4.627 ( -0.881 0.000 4.602) 4.686 4.650 ( 1.638 0.000 1.302) 2.093 4.704 ( 3.741 0.000 3.091) 4.853 4.741 ( -3.012 0.000 1.236) 3.256 4.829 ( 2.306 0.000 -1.472) 2.736 4.860 ( -9.463 0.000 -4.769) 10.597 4.914 ( 1.561 0.000 -1.562) 2.208 4.993 ( 4.763 0.000 -5.264) 7.099 5.050 ( -2.261 0.000 3.791) 4.414 5.060 ( 0.564 0.000 4.419) 4.455 5.156 ( -3.918 0.000 0.021) 3.918 5.242 ( -0.237 0.000 -1.787) 1.802 5.244 ( 0.593 0.000 -5.927) 5.956 5.279 ( 4.344 0.000 -4.032) 5.927 5.326 ( 1.210 0.000 -5.366) 5.500 5.329 ( 3.427 0.000 2.145) 4.043 5.401 ( -9.048 0.000 3.591) 9.734 5.440 ( 0.757 0.000 -0.119) 0.766 5.455 ( 0.183 0.000 0.726) 0.749 5.555 ( 2.678 0.000 4.304) 5.069 5.557 ( -0.754 0.000 -2.805) 2.905 5.613 ( 2.581 0.000 -1.832) 3.166 5.700 ( 3.728 0.000 -2.502) 4.489 5.777 ( -1.944 0.000 0.341) 1.973 5.886 ( -1.551 0.000 -2.998) 3.376 5.944 ( 3.934 0.000 2.805) 4.832 5.967 ( -8.061 0.000 -6.090) 10.103 6.083 ( -3.302 0.000 -1.032) 3.459 6.133 ( -2.488 0.000 6.363) 6.832 6.281 ( 3.569 0.000 -3.609) 5.076 6.293 ( 1.014 0.000 -2.472) 2.672 6.379 ( 6.182 0.000 4.166) 7.455 6.438 ( -3.972 0.000 -3.251) 5.133 6.508 ( -4.662 0.000 3.128) 5.615 6.514 ( 1.679 0.000 3.493) 3.876 6.519 ( -5.734 0.000 -2.059) 6.093 6.678 ( -1.259 0.000 6.709) 6.826 6.722 ( 0.280 0.000 1.043) 1.080 6.796 ( -3.350 0.000 -1.798) 3.802 6.859 ( 1.265 0.000 -0.499) 1.360 6.974 ( -1.361 0.000 4.998) 5.181 7.016 ( -0.784 0.000 -2.980) 3.081 7.093 ( -1.930 0.000 -3.456) 3.958 7.114 ( 2.292 0.000 0.130) 2.296 7.294 ( -4.617 0.000 -1.688) 4.916 7.316 ( -3.701 0.000 -0.285) 3.712 7.452 ( -0.775 0.000 -0.738) 1.070 7.492 ( -3.385 0.000 5.275) 6.268 7.594 ( -0.119 0.000 2.682) 2.685 7.604 ( 2.914 0.000 -0.584) 2.972 7.800 ( 2.036 0.000 -1.268) 2.398 9.610 ( 1.202 0.000 0.838) 1.465 9.659 ( 0.587 0.000 -1.918) 2.006 9.845 ( 0.292 0.000 0.302) 0.421 9.871 ( 0.887 0.000 -0.009) 0.887 10.362 ( 1.221 0.000 0.883) 1.506 10.413 ( 0.508 0.000 -0.446) 0.676 11.551 ( -2.881 0.000 -2.882) 4.075 11.762 ( -3.412 0.000 6.481) 7.324 12.459 ( -0.304 0.000 2.801) 2.817 12.617 ( -4.709 0.000 -3.672) 5.971 12.832 ( 3.434 0.000 2.557) 4.281 12.896 ( 0.075 0.000 -1.841) 1.842 13.020 ( 3.069 0.000 0.059) 3.069 13.057 ( 3.268 0.000 0.737) 3.350 13.327 ( 4.730 0.000 -4.674) 6.650 13.595 ( 0.044 0.000 -0.551) 0.553======================= Grid point 3 (4/60) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.339 ( 11.676 0.000 9.062) 14.781 1.355 ( 3.075 0.000 0.553) 3.124 1.770 ( 5.559 0.000 0.934) 5.637 1.854 ( -0.673 0.000 -7.630) 7.660 1.922 ( 20.408 0.000 2.405) 20.549 2.063 ( 8.315 0.000 4.783) 9.592 2.238 ( -0.748 0.000 -7.760) 7.796 2.379 ( -12.021 0.000 -3.375) 12.486 2.383 ( 0.658 0.000 -2.306) 2.398 2.571 ( -2.427 0.000 2.476) 3.467 2.573 ( 0.622 0.000 -0.646) 0.897 2.612 ( -10.352 0.000 -1.599) 10.475 2.771 ( 4.184 0.000 4.683) 6.280 2.879 ( -3.933 0.000 13.224) 13.796 2.964 ( -6.108 0.000 -1.125) 6.211 3.001 ( 1.640 0.000 -7.486) 7.663 3.129 ( 8.109 0.000 7.550) 11.080 3.138 ( -8.621 0.000 -6.011) 10.510 3.198 ( 1.706 0.000 3.943) 4.296 3.331 ( -1.018 0.000 -2.311) 2.526 3.357 ( 0.213 0.000 -2.812) 2.820 3.375 ( 0.593 0.000 -1.916) 2.005 3.465 ( 7.973 0.000 -3.046) 8.535 3.595 ( 1.064 0.000 3.511) 3.669 3.622 ( -7.282 0.000 -2.256) 7.624 3.697 ( -0.241 0.000 -3.324) 3.332 3.744 ( 0.041 0.000 4.358) 4.359 3.786 ( 0.612 0.000 -2.477) 2.551 3.883 ( 0.643 0.000 1.452) 1.588 3.923 ( 2.158 0.000 4.639) 5.116 4.053 ( 8.493 0.000 0.186) 8.495 4.136 ( 1.988 0.000 1.728) 2.634 4.162 ( 9.150 0.000 -3.197) 9.693 4.171 ( 2.263 0.000 2.104) 3.090 4.277 ( 2.620 0.000 0.078) 2.621 4.288 ( -5.456 0.000 3.363) 6.409 4.349 ( -1.987 0.000 -3.132) 3.708 4.379 ( -2.977 0.000 2.532) 3.908 4.442 ( -2.435 0.000 0.308) 2.455 4.447 ( -4.941 0.000 -3.719) 6.184 4.560 ( 2.587 0.000 -1.404) 2.943 4.612 ( -3.239 0.000 3.593) 4.837 4.634 ( -5.805 0.000 -4.605) 7.410 4.665 ( 0.526 0.000 0.320) 0.616 4.803 ( 8.406 0.000 -0.687) 8.434 4.857 ( 3.540 0.000 5.561) 6.592 4.869 ( 2.606 0.000 -0.959) 2.777 4.943 ( -4.051 0.000 1.912) 4.479 5.007 ( 0.649 0.000 -2.808) 2.882 5.067 ( 0.889 0.000 3.872) 3.972 5.123 ( -3.699 0.000 -2.247) 4.328 5.139 ( 2.304 0.000 0.539) 2.366 5.147 ( -1.812 0.000 6.226) 6.485 5.218 ( -4.835 0.000 -7.338) 8.787 5.219 ( -0.845 0.000 -1.258) 1.515 5.279 ( -2.668 0.000 -4.127) 4.914 5.313 ( 4.707 0.000 -4.099) 6.242 5.419 ( -1.795 0.000 -1.844) 2.574 5.423 ( 0.992 0.000 4.184) 4.300 5.466 ( -0.552 0.000 -1.301) 1.413 5.472 ( -1.733 0.000 0.706) 1.871 5.555 ( -1.636 0.000 -1.242) 2.054 5.602 ( 1.117 0.000 -5.087) 5.208 5.750 ( 2.956 0.000 0.023) 2.957 5.783 ( 0.296 0.000 0.088) 0.308 5.807 ( -4.299 0.000 1.030) 4.421 5.844 ( -0.165 0.000 1.261) 1.271 6.075 ( 2.900 0.000 4.185) 5.092 6.083 ( -5.313 0.000 0.895) 5.388 6.136 ( 6.612 0.000 4.888) 8.223 6.225 ( -6.430 0.000 -4.465) 7.828 6.359 ( 8.195 0.000 -5.924) 10.112 6.380 ( -1.764 0.000 -1.011) 2.033 6.438 ( -7.326 0.000 6.873) 10.045 6.449 ( 4.558 0.000 -0.169) 4.561 6.495 ( 2.990 0.000 -1.447) 3.322 6.596 ( 1.783 0.000 2.751) 3.278 6.660 ( -7.758 0.000 -3.248) 8.411 6.740 ( -0.246 0.000 3.818) 3.826 6.747 ( -0.218 0.000 0.070) 0.229 6.816 ( 1.032 0.000 -1.045) 1.469 6.977 ( -0.223 0.000 -2.053) 2.065 7.049 ( 0.550 0.000 -1.706) 1.793 7.064 ( 3.074 0.000 2.734) 4.114 7.131 ( -2.195 0.000 2.442) 3.283 7.182 ( -4.496 0.000 -1.306) 4.682 7.217 ( -3.252 0.000 -2.867) 4.335 7.434 ( 0.149 0.000 -0.288) 0.324 7.529 ( 0.005 0.000 3.897) 3.897 7.622 ( 0.383 0.000 1.303) 1.358 7.629 ( 0.863 0.000 -1.260) 1.527 7.799 ( -0.130 0.000 -0.915) 0.925 9.634 ( 0.553 0.000 0.357) 0.658 9.646 ( 0.031 0.000 -1.058) 1.058 9.853 ( 0.172 0.000 0.149) 0.228 9.883 ( 0.340 0.000 -0.016) 0.341 10.386 ( 0.504 0.000 0.394) 0.640 10.420 ( 0.402 0.000 -0.087) 0.411 11.478 ( -1.832 0.000 -1.276) 2.233 11.748 ( -2.507 0.000 2.397) 3.468 12.492 ( 0.651 0.000 1.384) 1.529 12.523 ( -1.559 0.000 -1.976) 2.518 12.887 ( 0.011 0.000 -0.559) 0.559 12.894 ( 1.115 0.000 1.034) 1.521 13.080 ( 1.949 0.000 0.961) 2.173 13.109 ( 1.476 0.000 0.261) 1.499 13.349 ( 1.985 0.000 -2.450) 3.153 13.591 ( 0.006 0.000 -0.262) 0.262======================= Grid point 7 (5/60) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.586 ( 0.000 28.931 0.000) 28.931 0.670 ( 0.000 33.220 0.000) 33.220 0.924 ( 0.000 44.765 0.000) 44.765 1.501 ( 0.000 -2.627 0.000) 2.627 1.631 ( 0.000 -0.460 0.000) 0.460 2.158 ( 0.000 -0.825 0.000) 0.825 2.230 ( 0.000 4.069 0.000) 4.069 2.419 ( 0.000 3.886 0.000) 3.886 2.504 ( 0.000 -1.478 0.000) 1.478 2.568 ( 0.000 5.933 0.000) 5.933 2.653 ( 0.000 -5.622 0.000) 5.622 2.684 ( 0.000 -3.586 0.000) 3.586 2.790 ( 0.000 1.025 0.000) 1.025 2.924 ( 0.000 -1.555 0.000) 1.555 2.969 ( 0.000 2.897 0.000) 2.897 3.024 ( 0.000 -6.411 0.000) 6.411 3.056 ( 0.000 -4.180 0.000) 4.180 3.121 ( 0.000 -3.958 0.000) 3.958 3.223 ( 0.000 -4.701 0.000) 4.701 3.280 ( 0.000 -1.783 0.000) 1.783 3.357 ( 0.000 0.763 0.000) 0.763 3.371 ( 0.000 2.182 0.000) 2.182 3.461 ( 0.000 2.763 0.000) 2.763 3.491 ( 0.000 0.214 0.000) 0.214 3.569 ( 0.000 -6.980 0.000) 6.980 3.601 ( 0.000 -6.517 0.000) 6.517 3.627 ( 0.000 -7.689 0.000) 7.689 3.823 ( 0.000 -0.039 0.000) 0.039 3.853 ( 0.000 -9.116 0.000) 9.116 3.860 ( 0.000 -4.676 0.000) 4.676 3.919 ( 0.000 -2.378 0.000) 2.378 4.064 ( 0.000 -3.553 0.000) 3.553 4.100 ( 0.000 2.137 0.000) 2.137 4.164 ( 0.000 0.803 0.000) 0.803 4.280 ( 0.000 1.190 0.000) 1.190 4.304 ( 0.000 3.918 0.000) 3.918 4.339 ( 0.000 1.729 0.000) 1.729 4.402 ( 0.000 -3.281 0.000) 3.281 4.438 ( 0.000 -5.113 0.000) 5.113 4.541 ( 0.000 -0.761 0.000) 0.761 4.602 ( 0.000 -2.930 0.000) 2.930 4.634 ( 0.000 0.956 0.000) 0.956 4.649 ( 0.000 3.094 0.000) 3.094 4.748 ( 0.000 4.878 0.000) 4.878 4.795 ( 0.000 2.819 0.000) 2.819 4.858 ( 0.000 -2.691 0.000) 2.691 4.885 ( 0.000 -0.960 0.000) 0.960 4.960 ( 0.000 1.965 0.000) 1.965 4.993 ( 0.000 -1.180 0.000) 1.180 5.062 ( 0.000 -5.681 0.000) 5.681 5.091 ( 0.000 -5.909 0.000) 5.909 5.122 ( 0.000 1.727 0.000) 1.727 5.128 ( 0.000 -1.690 0.000) 1.690 5.208 ( 0.000 4.333 0.000) 4.333 5.275 ( 0.000 0.966 0.000) 0.966 5.309 ( 0.000 -2.913 0.000) 2.913 5.390 ( 0.000 1.799 0.000) 1.799 5.426 ( 0.000 2.601 0.000) 2.601 5.470 ( 0.000 2.822 0.000) 2.822 5.508 ( 0.000 3.852 0.000) 3.852 5.576 ( 0.000 0.704 0.000) 0.704 5.612 ( 0.000 5.867 0.000) 5.867 5.646 ( 0.000 3.022 0.000) 3.022 5.705 ( 0.000 0.381 0.000) 0.381 5.719 ( 0.000 1.266 0.000) 1.266 5.861 ( 0.000 0.958 0.000) 0.958 5.897 ( 0.000 -4.326 0.000) 4.326 5.948 ( 0.000 0.687 0.000) 0.687 6.004 ( 0.000 0.113 0.000) 0.113 6.197 ( 0.000 -1.904 0.000) 1.904 6.240 ( 0.000 2.737 0.000) 2.737 6.273 ( 0.000 -4.766 0.000) 4.766 6.415 ( 0.000 2.059 0.000) 2.059 6.467 ( 0.000 0.961 0.000) 0.961 6.502 ( 0.000 1.416 0.000) 1.416 6.567 ( 0.000 -1.419 0.000) 1.419 6.643 ( 0.000 -0.803 0.000) 0.803 6.680 ( 0.000 -1.090 0.000) 1.090 6.692 ( 0.000 1.686 0.000) 1.686 6.748 ( 0.000 -0.743 0.000) 0.743 6.896 ( 0.000 -1.822 0.000) 1.822 6.964 ( 0.000 -1.040 0.000) 1.040 7.098 ( 0.000 1.707 0.000) 1.707 7.193 ( 0.000 0.198 0.000) 0.198 7.222 ( 0.000 -5.026 0.000) 5.026 7.314 ( 0.000 2.015 0.000) 2.015 7.409 ( 0.000 -2.386 0.000) 2.386 7.432 ( 0.000 2.680 0.000) 2.680 7.523 ( 0.000 0.777 0.000) 0.777 7.605 ( 0.000 3.465 0.000) 3.465 7.631 ( 0.000 2.248 0.000) 2.248 7.832 ( 0.000 -1.965 0.000) 1.965 9.588 ( 0.000 2.149 0.000) 2.149 9.652 ( 0.000 -0.343 0.000) 0.343 9.844 ( 0.000 0.671 0.000) 0.671 9.861 ( 0.000 1.347 0.000) 1.347 10.294 ( 0.000 -2.116 0.000) 2.116 10.384 ( 0.000 -3.331 0.000) 3.331 11.699 ( 0.000 7.058 0.000) 7.058 12.305 ( 0.000 0.504 0.000) 0.504 12.500 ( 0.000 0.671 0.000) 0.671 12.568 ( 0.000 1.379 0.000) 1.379 12.716 ( 0.000 -1.045 0.000) 1.045 12.797 ( 0.000 3.104 0.000) 3.104 12.925 ( 0.000 -2.890 0.000) 2.890 12.947 ( 0.000 1.111 0.000) 1.111 13.076 ( 0.000 -0.213 0.000) 0.213 13.227 ( 0.000 -1.723 0.000) 1.723======================= Grid point 8 (6/60) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.741 ( 16.772 18.737 0.737) 25.158 0.892 ( 13.327 22.546 14.963) 30.163 1.342 ( 10.915 8.635 -4.540) 14.640 1.461 ( 19.318 16.448 2.531) 25.497 1.854 ( 16.410 4.717 6.193) 18.163 1.959 ( -2.907 -3.123 -11.119) 11.909 2.227 ( -6.807 6.625 -15.544) 18.217 2.447 ( -4.089 0.993 10.588) 11.393 2.517 ( 0.526 -2.010 -0.007) 2.078 2.542 ( 5.943 3.184 -3.851) 7.764 2.618 ( -1.030 2.046 6.925) 7.294 2.666 ( -4.842 0.965 -0.421) 4.955 2.757 ( -4.724 1.495 8.091) 9.487 2.804 ( -1.301 2.541 -0.457) 2.891 2.947 ( -5.519 -3.252 -0.263) 6.411 3.004 ( 1.119 -3.856 -1.119) 4.168 3.155 ( -1.888 -6.813 -2.300) 7.435 3.161 ( -1.106 -4.654 4.027) 6.253 3.197 ( 3.650 -3.641 1.457) 5.358 3.289 ( 2.990 -1.379 -1.288) 3.536 3.367 ( -0.469 -3.504 2.594) 4.385 3.420 ( -0.734 0.307 0.320) 0.858 3.429 ( -0.349 1.354 1.327) 1.928 3.493 ( -0.228 -1.363 0.519) 1.476 3.547 ( 2.141 -0.868 4.407) 4.976 3.622 ( -2.535 -6.083 3.887) 7.651 3.702 ( 0.448 -11.709 -1.624) 11.829 3.755 ( 2.841 0.095 -1.387) 3.163 3.804 ( -0.742 -2.023 -5.011) 5.455 3.896 ( 2.869 -5.928 -1.460) 6.746 3.974 ( 1.121 -0.856 1.832) 2.312 4.048 ( -0.381 -3.697 -2.005) 4.223 4.093 ( -1.311 2.099 -0.252) 2.487 4.161 ( -1.819 -1.527 2.095) 3.167 4.200 ( 2.411 1.587 -14.654) 14.936 4.282 ( -1.155 -0.819 -0.029) 1.416 4.368 ( 4.230 1.361 4.133) 6.069 4.417 ( 0.290 -3.611 -0.456) 3.651 4.536 ( 0.819 0.306 1.201) 1.486 4.555 ( -1.082 -3.392 -0.999) 3.697 4.597 ( -3.941 2.586 0.862) 4.792 4.599 ( -0.469 -1.575 1.681) 2.350 4.636 ( 4.747 6.153 -1.232) 7.868 4.731 ( -6.002 2.538 -4.699) 8.034 4.771 ( -1.429 1.439 4.059) 4.537 4.784 ( 1.433 4.742 1.366) 5.138 4.941 ( 2.533 0.188 -2.056) 3.267 4.984 ( -2.003 -4.879 2.055) 5.661 4.995 ( 0.297 -0.935 0.588) 1.144 5.050 ( -0.776 -2.143 -3.104) 3.850 5.091 ( -0.730 3.473 -3.336) 4.871 5.124 ( 1.359 -6.275 -0.759) 6.465 5.145 ( -2.167 -2.740 -1.528) 3.813 5.189 ( 1.401 -3.904 -1.234) 4.327 5.267 ( 2.818 0.341 2.724) 3.935 5.316 ( -0.312 -2.610 1.989) 3.296 5.371 ( -2.616 4.448 -4.250) 6.685 5.401 ( -0.723 0.050 -1.278) 1.469 5.484 ( 2.895 3.125 -2.617) 4.999 5.531 ( 0.895 2.798 -1.347) 3.232 5.561 ( -1.399 0.085 3.011) 3.321 5.576 ( -5.083 3.925 5.447) 8.421 5.612 ( 0.747 2.114 -2.161) 3.114 5.727 ( 2.971 5.747 -0.822) 6.521 5.811 ( 0.296 -0.222 -1.628) 1.670 5.850 ( 1.848 -1.417 -3.091) 3.870 5.919 ( 3.201 -2.933 1.286) 4.528 6.013 ( 0.761 -0.053 -0.619) 0.983 6.066 ( 8.649 0.339 5.040) 10.016 6.165 ( -3.787 -0.684 -0.763) 3.923 6.199 ( -3.030 2.245 -1.655) 4.118 6.293 ( 2.441 -1.396 -0.672) 2.892 6.403 ( 2.568 2.787 -0.625) 3.841 6.433 ( -4.169 -2.531 4.923) 6.930 6.515 ( -4.353 -2.228 -4.502) 6.647 6.549 ( -1.071 -0.692 2.112) 2.467 6.610 ( -3.354 -1.356 -1.518) 3.924 6.652 ( -0.738 -0.385 2.562) 2.693 6.723 ( -1.739 -0.284 0.820) 1.944 6.759 ( 0.600 -0.295 6.145) 6.182 6.854 ( -2.607 -1.494 -0.919) 3.142 6.976 ( -1.738 -2.053 1.681) 3.172 7.083 ( -0.727 2.095 -1.769) 2.837 7.180 ( 0.002 1.445 -2.350) 2.759 7.207 ( -4.467 4.271 0.194) 6.183 7.289 ( 1.426 -0.468 -0.394) 1.552 7.380 ( -3.029 -2.121 0.009) 3.698 7.442 ( -0.889 0.159 2.276) 2.449 7.514 ( -0.709 1.597 0.130) 1.752 7.594 ( -0.725 1.573 -1.303) 2.167 7.612 ( -1.380 2.243 0.731) 2.733 7.785 ( 1.616 1.687 -2.066) 3.119 9.599 ( 0.782 1.850 0.496) 2.069 9.660 ( 1.149 -0.136 -0.883) 1.455 9.844 ( 0.253 0.710 0.009) 0.754 9.874 ( 0.992 1.465 0.129) 1.775 10.306 ( 0.858 -2.303 0.699) 2.556 10.381 ( 0.107 -3.282 -0.617) 3.341 11.664 ( -4.054 5.866 0.509) 7.149 11.897 ( -7.069 10.908 -3.296) 13.410 12.481 ( -1.916 1.798 2.161) 3.402 12.723 ( 2.217 -0.216 2.028) 3.012 12.767 ( -1.948 3.656 -0.058) 4.143 12.901 ( -1.033 -4.100 -0.738) 4.292 12.944 ( 2.900 -0.643 -2.946) 4.183 13.047 ( 1.138 1.817 1.016) 2.373 13.256 ( 4.894 -3.292 -2.549) 6.426 13.297 ( 14.342 -17.603 7.442) 23.894======================= Grid point 9 (7/60) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.077 ( 15.296 10.489 6.198) 19.555 1.300 ( 9.649 12.247 8.369) 17.696 1.456 ( 17.730 2.722 1.333) 17.987 1.793 ( 3.363 1.978 -9.478) 10.249 1.843 ( 13.507 4.749 -2.768) 14.582 1.994 ( 2.377 6.000 -11.393) 13.094 2.347 ( 6.812 5.801 5.152) 10.325 2.427 ( -1.256 2.447 -2.784) 3.914 2.522 ( -0.952 -1.956 -2.516) 3.326 2.581 ( -2.491 0.764 -0.309) 2.624 2.627 ( 1.542 2.437 7.243) 7.796 2.632 ( 2.824 1.359 4.871) 5.792 2.753 ( -2.139 -1.419 1.636) 3.044 2.811 ( -3.686 -0.043 2.650) 4.540 2.900 ( 0.402 5.682 7.945) 9.776 3.026 ( -0.871 -1.881 1.860) 2.785 3.087 ( -0.161 -1.398 2.889) 3.213 3.130 ( -6.592 -2.343 2.184) 7.329 3.260 ( 0.937 -5.720 -2.452) 6.293 3.310 ( 1.428 -8.047 4.760) 9.458 3.370 ( 3.251 -0.519 -5.006) 5.992 3.393 ( -4.435 -2.641 -2.457) 5.717 3.431 ( -2.478 0.111 -1.040) 2.690 3.529 ( 1.567 -0.221 4.015) 4.315 3.603 ( 3.925 -6.421 -0.718) 7.560 3.637 ( 0.857 -4.205 -1.496) 4.544 3.709 ( 0.872 -6.839 2.614) 7.373 3.745 ( 1.071 0.330 0.525) 1.238 3.808 ( -1.342 -1.278 -0.817) 2.025 3.933 ( 0.803 -1.239 -0.602) 1.594 3.969 ( -3.673 -0.373 -2.673) 4.558 4.015 ( 6.458 0.090 -6.050) 8.850 4.097 ( 3.461 -4.292 -1.756) 5.787 4.145 ( 1.909 -1.029 -4.456) 4.956 4.204 ( 7.485 -1.130 -1.815) 7.785 4.248 ( -0.436 2.543 1.691) 3.085 4.342 ( -6.243 0.930 -1.200) 6.424 4.417 ( -3.244 -5.185 0.612) 6.147 4.486 ( -2.981 -2.712 0.290) 4.041 4.556 ( 1.399 5.796 1.803) 6.229 4.620 ( -3.783 -0.778 3.477) 5.196 4.638 ( 1.910 -4.950 2.645) 5.929 4.649 ( -0.822 2.557 2.493) 3.664 4.678 ( 1.975 6.259 -5.232) 8.393 4.773 ( -1.711 2.603 3.255) 4.505 4.811 ( -0.188 0.018 -1.531) 1.543 4.877 ( 0.775 0.928 -4.254) 4.423 4.964 ( -1.073 2.996 -0.121) 3.184 5.005 ( 4.325 0.976 -0.266) 4.442 5.050 ( -0.377 -4.402 3.718) 5.774 5.062 ( -0.032 0.905 -3.348) 3.469 5.102 ( -1.504 -1.249 4.661) 5.055 5.145 ( 1.648 -4.565 -1.673) 5.134 5.248 ( 4.063 -4.002 -1.548) 5.909 5.257 ( -1.304 -1.068 -3.087) 3.517 5.333 ( 1.016 0.606 -5.268) 5.399 5.345 ( -3.870 0.833 -1.320) 4.173 5.401 ( 2.691 0.391 3.783) 4.659 5.459 ( -3.947 1.548 -3.205) 5.315 5.491 ( -3.179 0.700 1.880) 3.760 5.522 ( 2.265 0.699 -1.155) 2.637 5.578 ( -2.413 2.627 0.760) 3.647 5.671 ( 3.237 2.957 1.886) 4.773 5.742 ( 0.657 3.899 -5.539) 6.805 5.764 ( -0.599 -0.019 1.442) 1.562 5.887 ( 1.730 1.514 1.751) 2.890 5.977 ( -1.419 0.294 -4.964) 5.171 6.024 ( -1.482 5.249 0.628) 5.490 6.057 ( -0.228 -2.828 0.222) 2.846 6.134 ( -3.629 -0.020 1.635) 3.980 6.198 ( 3.385 -3.800 -4.790) 6.989 6.245 ( -3.400 -3.540 0.382) 4.923 6.395 ( -4.721 -3.935 -2.978) 6.830 6.437 ( 2.055 1.897 3.934) 4.827 6.500 ( 1.619 1.596 2.832) 3.631 6.535 ( -3.488 1.241 2.519) 4.477 6.554 ( 1.390 0.956 -0.291) 1.712 6.659 ( -2.548 -2.136 3.535) 4.853 6.703 ( -0.507 -1.487 2.340) 2.818 6.780 ( -1.279 -1.145 -1.449) 2.246 6.869 ( 0.823 0.874 2.013) 2.344 6.929 ( -3.314 -2.477 1.815) 4.518 7.049 ( -0.440 1.770 -1.102) 2.131 7.137 ( -1.149 3.340 -3.196) 4.764 7.169 ( 0.133 4.729 -0.101) 4.732 7.283 ( -6.215 -2.703 -0.802) 6.825 7.304 ( -0.774 0.350 -0.684) 1.090 7.432 ( -1.006 -1.242 -0.553) 1.691 7.512 ( -2.039 2.299 3.462) 4.629 7.601 ( 1.837 0.928 -0.308) 2.081 7.603 ( 0.055 -0.218 1.703) 1.718 7.802 ( 0.878 -0.100 -1.414) 1.668 9.623 ( 1.186 1.363 0.428) 1.857 9.666 ( 0.649 0.618 -1.207) 1.503 9.854 ( 0.643 0.908 0.213) 1.133 9.891 ( 0.735 1.516 -0.088) 1.687 10.334 ( 1.128 -2.629 0.845) 2.983 10.379 ( 0.383 -3.335 -0.494) 3.393 11.589 ( -3.342 3.953 -1.513) 5.393 11.810 ( -5.706 3.845 3.626) 7.777 12.503 ( 1.073 4.403 2.889) 5.374 12.656 ( -4.218 3.723 -3.386) 6.566 12.816 ( 2.216 -1.300 1.656) 3.056 12.886 ( 0.972 -1.376 0.030) 1.685 12.969 ( 2.794 -2.045 -2.274) 4.142 13.104 ( 2.971 2.016 1.683) 3.965 13.297 ( 4.304 -2.928 -4.474) 6.864 13.484 ( 3.581 -9.772 1.796) 10.561======================= Grid point 10 (8/60) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.376 ( 9.104 4.010 0.504) 9.961 1.450 ( 2.314 8.164 7.999) 11.661 1.780 ( 5.965 0.876 3.526) 6.985 1.837 ( 4.049 -0.043 -7.309) 8.356 1.954 ( 13.556 4.632 -1.600) 14.415 2.132 ( 7.404 5.503 4.067) 10.082 2.239 ( -5.809 -2.480 -3.155) 7.061 2.345 ( -7.027 2.468 -4.807) 8.864 2.414 ( 0.806 2.140 -1.870) 2.954 2.567 ( -2.273 -2.676 -2.118) 4.100 2.609 ( -5.556 2.129 1.295) 6.089 2.652 ( -2.150 4.611 2.356) 5.607 2.768 ( 6.355 0.088 -0.178) 6.358 2.846 ( -4.673 -1.233 7.959) 9.311 2.974 ( -10.757 -1.424 3.421) 11.377 3.022 ( 2.595 2.795 -3.922) 5.471 3.152 ( 6.268 -0.658 1.357) 6.447 3.157 ( -4.292 0.684 -5.181) 6.763 3.201 ( 3.111 3.602 6.736) 8.247 3.296 ( 0.969 -4.086 -1.218) 4.372 3.328 ( -1.629 -0.584 -2.756) 3.254 3.383 ( -0.988 -0.674 0.192) 1.212 3.432 ( 4.355 -6.262 -1.693) 7.813 3.554 ( 0.175 -1.827 1.115) 2.148 3.611 ( -1.680 -4.453 -3.313) 5.798 3.649 ( 0.269 -3.994 2.448) 4.693 3.770 ( 2.870 2.900 0.832) 4.164 3.789 ( 3.286 2.372 -4.372) 5.962 3.853 ( 0.436 -4.755 8.118) 9.418 3.925 ( 0.565 1.436 -1.618) 2.235 3.944 ( 3.989 -5.843 1.116) 7.162 4.042 ( 4.388 -5.806 0.038) 7.277 4.145 ( -3.516 -4.272 -3.490) 6.542 4.155 ( -0.886 -6.827 -0.893) 6.942 4.212 ( 3.519 2.218 0.040) 4.160 4.309 ( -2.171 -1.266 -0.047) 2.514 4.326 ( 1.388 -1.678 0.665) 2.277 4.382 ( 4.202 1.634 1.833) 4.867 4.441 ( -2.683 3.311 1.340) 4.467 4.501 ( -4.545 3.407 -0.238) 5.685 4.548 ( -2.682 -5.672 0.443) 6.290 4.616 ( -2.775 1.412 0.687) 3.188 4.672 ( 0.008 2.665 -3.438) 4.350 4.734 ( 0.838 4.695 0.239) 4.775 4.776 ( 4.852 -1.971 -0.335) 5.248 4.856 ( 5.311 1.899 4.326) 7.108 4.941 ( -0.826 -0.495 2.235) 2.434 4.971 ( 1.754 4.039 3.466) 5.604 5.026 ( 0.075 -2.480 -2.139) 3.276 5.036 ( -1.066 0.502 -3.632) 3.819 5.086 ( -2.820 -0.446 -4.130) 5.021 5.118 ( -0.639 -0.528 4.017) 4.102 5.139 ( -5.324 -3.594 -3.756) 7.441 5.149 ( -0.392 -1.883 2.824) 3.416 5.236 ( -1.548 1.547 -0.194) 2.197 5.264 ( 1.171 -1.610 -3.090) 3.676 5.338 ( 1.293 1.981 -4.245) 4.860 5.404 ( 4.722 -0.136 -1.343) 4.912 5.424 ( -5.068 0.287 1.516) 5.297 5.510 ( 2.392 3.664 -0.637) 4.422 5.526 ( -1.812 3.626 1.050) 4.187 5.559 ( 2.759 0.600 0.378) 2.848 5.628 ( -3.343 2.485 -3.849) 5.672 5.735 ( -0.331 -0.615 0.903) 1.141 5.776 ( 1.308 -0.506 -0.208) 1.418 5.849 ( -4.614 2.432 1.398) 5.400 5.897 ( -0.655 4.472 -0.804) 4.591 6.026 ( -0.791 -3.148 1.936) 3.780 6.090 ( -0.270 -1.766 -0.463) 1.845 6.163 ( 5.073 1.042 4.006) 6.547 6.195 ( -4.963 -1.978 -3.642) 6.466 6.228 ( 3.603 -5.607 -2.278) 7.044 6.340 ( 2.128 -4.656 0.523) 5.146 6.421 ( -3.592 -0.113 1.424) 3.866 6.496 ( -1.088 2.218 1.316) 2.799 6.551 ( 0.417 0.403 -0.871) 1.046 6.571 ( -1.278 -2.692 0.395) 3.006 6.670 ( -0.238 1.739 -0.548) 1.839 6.748 ( 1.076 0.546 3.610) 3.806 6.764 ( -0.175 1.961 0.811) 2.129 6.827 ( -0.041 1.389 -1.407) 1.977 6.950 ( 0.236 -2.869 1.145) 3.098 7.060 ( 1.036 0.397 0.290) 1.147 7.079 ( -2.065 0.665 -1.183) 2.471 7.146 ( -2.292 1.694 -1.183) 3.086 7.200 ( -1.154 3.058 0.640) 3.330 7.251 ( -2.127 2.763 -1.975) 4.007 7.410 ( -0.372 -1.613 -0.553) 1.746 7.532 ( -0.143 0.605 2.726) 2.797 7.624 ( 0.599 -0.400 -0.043) 0.722 7.637 ( 1.266 0.909 0.870) 1.785 7.782 ( -0.880 -1.640 -1.136) 2.180 9.645 ( 0.923 1.220 -0.005) 1.529 9.659 ( -0.274 1.202 -0.506) 1.332 9.867 ( 0.385 1.248 0.187) 1.319 9.897 ( 0.171 1.223 -0.157) 1.245 10.358 ( 0.536 -2.752 0.366) 2.827 10.382 ( 0.246 -3.616 -0.123) 3.627 11.526 ( -1.517 4.489 -0.993) 4.841 11.754 ( -3.105 0.550 1.758) 3.610 12.543 ( 0.255 4.379 -0.025) 4.387 12.583 ( -0.614 6.277 -0.257) 6.312 12.835 ( 0.019 -2.872 -0.231) 2.881 12.928 ( 1.056 0.970 1.781) 2.286 12.988 ( 1.379 -4.676 -1.345) 5.057 13.166 ( 1.547 1.866 1.165) 2.690 13.313 ( 1.765 -3.468 -2.472) 4.610 13.529 ( 0.778 -5.923 0.338) 5.983======================= Grid point 14 (9/60) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( 0.000 23.666 0.000) 23.666 1.285 ( 0.000 28.385 0.000) 28.385 1.402 ( 0.000 0.915 0.000) 0.915 1.664 ( 0.000 5.086 0.000) 5.086 1.777 ( 0.000 30.817 0.000) 30.817 2.148 ( 0.000 0.325 0.000) 0.325 2.279 ( 0.000 -0.453 0.000) 0.453 2.432 ( 0.000 -5.290 0.000) 5.290 2.465 ( 0.000 -6.282 0.000) 6.282 2.541 ( 0.000 0.868 0.000) 0.868 2.570 ( 0.000 0.712 0.000) 0.712 2.723 ( 0.000 -4.719 0.000) 4.719 2.842 ( 0.000 3.774 0.000) 3.774 2.874 ( 0.000 -1.763 0.000) 1.763 2.893 ( 0.000 0.770 0.000) 0.770 2.998 ( 0.000 -1.678 0.000) 1.678 3.026 ( 0.000 -5.193 0.000) 5.193 3.058 ( 0.000 3.256 0.000) 3.256 3.137 ( 0.000 -3.237 0.000) 3.237 3.228 ( 0.000 -1.297 0.000) 1.297 3.361 ( 0.000 -8.115 0.000) 8.115 3.390 ( 0.000 -1.231 0.000) 1.231 3.391 ( 0.000 3.497 0.000) 3.497 3.478 ( 0.000 -2.645 0.000) 2.645 3.480 ( 0.000 -3.088 0.000) 3.088 3.498 ( 0.000 -1.851 0.000) 1.851 3.578 ( 0.000 1.166 0.000) 1.166 3.707 ( 0.000 -4.379 0.000) 4.379 3.751 ( 0.000 -6.253 0.000) 6.253 3.788 ( 0.000 -2.411 0.000) 2.411 3.878 ( 0.000 -1.299 0.000) 1.299 3.935 ( 0.000 -7.999 0.000) 7.999 4.089 ( 0.000 -7.556 0.000) 7.556 4.136 ( 0.000 -1.960 0.000) 1.960 4.231 ( 0.000 -4.619 0.000) 4.619 4.283 ( 0.000 -8.461 0.000) 8.461 4.286 ( 0.000 -0.598 0.000) 0.598 4.480 ( 0.000 -3.691 0.000) 3.691 4.484 ( 0.000 6.498 0.000) 6.498 4.498 ( 0.000 9.910 0.000) 9.910 4.545 ( 0.000 -3.139 0.000) 3.139 4.668 ( 0.000 2.832 0.000) 2.832 4.726 ( 0.000 -2.000 0.000) 2.000 4.776 ( 0.000 3.247 0.000) 3.247 4.783 ( 0.000 -6.799 0.000) 6.799 4.854 ( 0.000 0.048 0.000) 0.048 4.877 ( 0.000 -4.058 0.000) 4.058 4.947 ( 0.000 6.364 0.000) 6.364 4.980 ( 0.000 1.748 0.000) 1.748 5.014 ( 0.000 2.020 0.000) 2.020 5.097 ( 0.000 3.634 0.000) 3.634 5.118 ( 0.000 -2.232 0.000) 2.232 5.128 ( 0.000 1.238 0.000) 1.238 5.221 ( 0.000 -3.076 0.000) 3.076 5.248 ( 0.000 -3.813 0.000) 3.813 5.272 ( 0.000 -0.691 0.000) 0.691 5.418 ( 0.000 0.817 0.000) 0.817 5.453 ( 0.000 0.840 0.000) 0.840 5.473 ( 0.000 1.708 0.000) 1.708 5.568 ( 0.000 -4.382 0.000) 4.382 5.617 ( 0.000 3.267 0.000) 3.267 5.660 ( 0.000 5.937 0.000) 5.937 5.732 ( 0.000 3.171 0.000) 3.171 5.762 ( 0.000 2.308 0.000) 2.308 5.786 ( 0.000 1.234 0.000) 1.234 5.820 ( 0.000 -0.623 0.000) 0.623 5.893 ( 0.000 3.742 0.000) 3.742 5.981 ( 0.000 -2.426 0.000) 2.426 6.006 ( 0.000 2.536 0.000) 2.536 6.164 ( 0.000 -4.165 0.000) 4.165 6.194 ( 0.000 0.715 0.000) 0.715 6.247 ( 0.000 -0.943 0.000) 0.943 6.425 ( 0.000 -4.505 0.000) 4.505 6.463 ( 0.000 2.673 0.000) 2.673 6.468 ( 0.000 -3.788 0.000) 3.788 6.574 ( 0.000 1.490 0.000) 1.490 6.643 ( 0.000 1.112 0.000) 1.112 6.714 ( 0.000 0.150 0.000) 0.150 6.719 ( 0.000 3.093 0.000) 3.093 6.755 ( 0.000 1.118 0.000) 1.118 6.872 ( 0.000 -0.081 0.000) 0.081 6.943 ( 0.000 -0.623 0.000) 0.623 7.079 ( 0.000 -2.508 0.000) 2.508 7.141 ( 0.000 -2.834 0.000) 2.834 7.204 ( 0.000 -0.146 0.000) 0.146 7.314 ( 0.000 -2.782 0.000) 2.782 7.391 ( 0.000 1.171 0.000) 1.171 7.464 ( 0.000 1.080 0.000) 1.080 7.569 ( 0.000 3.556 0.000) 3.556 7.674 ( 0.000 3.219 0.000) 3.219 7.685 ( 0.000 2.565 0.000) 2.565 7.783 ( 0.000 -2.758 0.000) 2.758 9.640 ( 0.000 2.801 0.000) 2.801 9.656 ( 0.000 0.834 0.000) 0.834 9.861 ( 0.000 1.039 0.000) 1.039 9.887 ( 0.000 1.083 0.000) 1.083 10.241 ( 0.000 -2.991 0.000) 2.991 10.299 ( 0.000 -4.827 0.000) 4.827 11.875 ( 0.000 10.085 0.000) 10.085 12.298 ( 0.000 -1.754 0.000) 1.754 12.526 ( 0.000 1.999 0.000) 1.999 12.600 ( 0.000 1.573 0.000) 1.573 12.695 ( 0.000 -0.789 0.000) 0.789 12.833 ( 0.000 -3.166 0.000) 3.166 12.890 ( 0.000 3.065 0.000) 3.065 12.969 ( 0.000 1.037 0.000) 1.037 13.077 ( 0.000 0.292 0.000) 0.292 13.185 ( 0.000 -2.460 0.000) 2.460======================= Grid point 15 (10/60) =======================q-point: ( 0.14 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( 6.942 18.802 -3.506) 20.347 1.392 ( 6.997 23.374 4.864) 24.879 1.431 ( 5.385 6.511 1.448) 8.572 1.736 ( 10.049 8.438 0.907) 13.153 1.946 ( -4.625 3.115 -12.558) 13.741 2.159 ( 21.228 18.037 13.361) 30.895 2.271 ( -1.515 -2.035 -10.536) 10.837 2.426 ( -0.773 -1.738 9.415) 9.605 2.528 ( 4.747 -2.533 -2.981) 6.152 2.540 ( 0.817 1.369 -2.310) 2.807 2.635 ( -2.132 -1.005 -3.126) 3.915 2.713 ( 2.854 -1.471 6.045) 6.845 2.777 ( -8.727 1.345 4.111) 9.740 2.813 ( -1.898 5.616 -2.434) 6.408 2.888 ( -3.531 -3.603 -2.153) 5.485 2.969 ( -2.688 -4.262 0.939) 5.126 3.002 ( 1.874 -1.245 1.807) 2.885 3.093 ( 3.629 -2.726 2.819) 5.343 3.159 ( 1.566 0.134 -0.729) 1.732 3.241 ( -0.381 -3.283 -2.077) 3.903 3.307 ( -5.269 -1.055 1.686) 5.632 3.372 ( -1.106 -7.148 0.120) 7.234 3.400 ( 1.177 -2.120 -1.515) 2.859 3.482 ( 0.998 -2.071 -0.328) 2.322 3.493 ( 2.148 -3.544 -2.571) 4.877 3.537 ( -2.552 -0.025 3.779) 4.560 3.561 ( -0.521 -0.393 8.888) 8.912 3.744 ( 1.352 -5.651 -0.638) 5.846 3.760 ( 3.743 -1.798 0.040) 4.153 3.788 ( -0.676 -0.819 -2.804) 2.999 3.913 ( 2.295 -5.605 4.267) 7.408 3.953 ( 1.466 -3.147 -0.853) 3.575 4.056 ( -3.821 -6.755 0.903) 7.813 4.117 ( -1.204 -3.624 0.686) 3.880 4.212 ( 3.531 -0.952 -12.311) 12.843 4.267 ( 2.133 -4.313 1.111) 4.938 4.318 ( -0.329 -0.630 0.547) 0.897 4.465 ( 5.440 -0.573 -5.874) 8.026 4.510 ( -1.704 -1.900 0.323) 2.572 4.520 ( -1.934 4.846 3.845) 6.481 4.552 ( 2.660 0.195 -0.259) 2.680 4.632 ( -1.662 1.188 -4.672) 5.099 4.749 ( 1.240 -6.372 2.571) 6.982 4.770 ( 1.500 4.124 -1.472) 4.629 4.792 ( -0.611 1.565 0.051) 1.681 4.823 ( -0.922 -1.859 3.418) 3.998 4.917 ( -0.620 -1.337 -1.115) 1.848 4.962 ( -2.602 0.954 -1.526) 3.164 4.987 ( -1.472 4.098 1.289) 4.541 5.020 ( 4.593 3.466 -0.723) 5.799 5.073 ( -3.545 -4.329 -2.045) 5.957 5.085 ( -0.407 -0.949 -2.450) 2.659 5.120 ( -6.186 -2.184 0.553) 6.583 5.158 ( 1.945 2.196 0.637) 3.002 5.274 ( 3.259 -0.887 0.363) 3.397 5.289 ( 3.569 1.464 2.828) 4.783 5.353 ( -4.478 -2.418 -3.557) 6.209 5.445 ( -1.389 1.567 -3.138) 3.773 5.500 ( 2.103 -0.431 1.414) 2.570 5.566 ( -4.055 3.587 1.477) 5.612 5.575 ( 0.329 -2.564 -0.850) 2.721 5.621 ( -2.279 2.670 -1.193) 3.707 5.732 ( -0.202 5.504 2.737) 6.150 5.775 ( 0.824 -0.889 -3.714) 3.907 5.823 ( 3.497 1.952 2.980) 4.992 5.868 ( 4.419 -2.041 -1.448) 5.079 5.897 ( 0.421 6.004 -1.042) 6.109 5.997 ( 1.520 -1.644 -1.389) 2.635 6.096 ( 4.170 0.542 3.476) 5.456 6.172 ( -1.913 2.811 1.221) 3.613 6.201 ( -0.949 -2.296 -1.330) 2.818 6.289 ( 6.348 -1.361 1.850) 6.750 6.361 ( -4.784 -2.994 -1.263) 5.783 6.428 ( -3.014 0.743 -2.367) 3.904 6.479 ( 2.867 -1.022 -2.274) 3.800 6.528 ( -4.265 -1.482 1.136) 4.656 6.616 ( -5.882 1.300 1.823) 6.294 6.655 ( -2.473 -0.257 0.904) 2.646 6.723 ( -3.191 -0.221 0.688) 3.272 6.748 ( -1.140 -0.104 5.260) 5.383 6.856 ( -1.004 2.113 1.383) 2.718 6.942 ( -1.043 -0.764 -0.447) 1.368 7.091 ( 0.146 -1.191 0.140) 1.208 7.186 ( 2.866 -2.027 -0.282) 3.522 7.208 ( -0.757 -0.107 2.057) 2.195 7.275 ( -2.116 -3.261 -0.389) 3.907 7.379 ( -1.172 2.922 -1.218) 3.375 7.454 ( -1.176 0.583 0.481) 1.397 7.561 ( -0.912 2.827 -0.248) 2.981 7.642 ( -2.976 1.745 -1.866) 3.922 7.666 ( -0.573 3.470 -0.445) 3.545 7.787 ( 1.524 -0.937 -0.999) 2.049 9.644 ( 0.448 2.424 0.068) 2.466 9.666 ( 1.148 0.992 -0.234) 1.535 9.863 ( 0.418 1.135 -0.022) 1.210 9.898 ( 0.979 0.818 0.024) 1.276 10.249 ( 0.524 -3.171 0.585) 3.267 10.297 ( 0.078 -4.790 -0.482) 4.815 11.815 ( -6.768 8.544 0.747) 10.926 12.049 ( -10.340 4.124 -4.219) 11.905 12.541 ( 1.645 4.336 1.909) 5.015 12.720 ( 2.016 0.008 1.542) 2.538 12.822 ( 0.233 -3.112 0.626) 3.183 12.860 ( -0.921 4.893 -0.210) 4.983 12.911 ( 8.318 -4.043 -3.358) 9.839 13.034 ( 7.749 -4.355 5.249) 10.323 13.085 ( 0.972 -0.873 3.125) 3.387 13.201 ( 3.335 -3.407 -3.311) 5.805======================= Grid point 16 (11/60) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.302 ( 11.507 11.619 0.612) 16.364 1.532 ( 3.223 5.914 1.698) 6.946 1.646 ( 7.595 19.000 11.274) 23.362 1.884 ( 10.773 7.101 -3.359) 13.333 1.948 ( 10.030 5.648 -6.087) 13.021 2.134 ( 0.703 7.074 -6.190) 9.426 2.396 ( -5.458 0.421 -2.432) 5.990 2.438 ( -1.032 -1.904 -7.089) 7.413 2.489 ( 2.699 -0.180 -3.101) 4.115 2.546 ( -0.638 -4.392 3.715) 5.788 2.645 ( -6.923 -1.401 3.736) 7.991 2.687 ( -0.570 0.369 2.248) 2.348 2.798 ( -1.268 -0.459 -3.686) 3.925 2.845 ( 8.310 5.217 3.081) 10.284 2.938 ( 2.151 -0.404 1.023) 2.416 2.987 ( 4.270 -0.228 8.072) 9.135 3.064 ( 0.427 -0.242 8.518) 8.532 3.137 ( -0.072 -4.369 -2.302) 4.939 3.165 ( 1.792 5.404 0.353) 5.705 3.199 ( 1.318 -2.354 2.393) 3.606 3.263 ( -1.993 -5.987 -0.387) 6.321 3.323 ( -3.159 -4.044 -0.982) 5.224 3.385 ( -2.171 -5.366 0.235) 5.793 3.505 ( 2.504 -4.831 -3.232) 6.329 3.542 ( 3.751 -0.252 4.428) 5.809 3.595 ( 1.163 2.289 2.562) 3.627 3.622 ( -2.405 -2.221 1.235) 3.499 3.700 ( 0.498 -6.217 -0.724) 6.279 3.770 ( 1.351 1.589 3.114) 3.749 3.842 ( 0.128 -5.054 -1.152) 5.185 3.960 ( 1.222 -4.281 2.113) 4.928 3.980 ( -0.234 -0.979 -0.427) 1.094 4.057 ( 0.970 -4.022 1.444) 4.382 4.109 ( 5.027 -0.447 -5.619) 7.553 4.220 ( 8.325 3.808 -4.538) 10.217 4.281 ( -0.668 -5.169 1.762) 5.502 4.330 ( -1.368 0.482 4.421) 4.652 4.382 ( -4.676 0.543 -9.853) 10.919 4.476 ( -0.679 2.462 -2.397) 3.503 4.507 ( 1.311 -2.841 -3.458) 4.664 4.590 ( -0.262 -0.842 3.157) 3.278 4.625 ( 0.457 -2.178 3.922) 4.509 4.710 ( -7.660 4.811 0.797) 9.080 4.776 ( 4.746 3.030 -6.940) 8.937 4.813 ( -3.185 -2.952 -4.655) 6.366 4.841 ( 0.426 -0.679 1.903) 2.065 4.879 ( -1.041 -0.546 1.741) 2.101 4.913 ( 1.491 -0.763 2.735) 3.207 4.945 ( 1.011 -5.307 -0.351) 5.414 5.015 ( 0.557 -2.882 -0.744) 3.028 5.063 ( 1.098 -1.480 0.402) 1.886 5.090 ( 0.036 -1.262 0.815) 1.503 5.131 ( 4.118 4.367 1.642) 6.223 5.220 ( -2.272 -0.842 -2.985) 3.845 5.223 ( 0.970 1.235 1.784) 2.377 5.323 ( -0.440 1.460 -1.149) 1.909 5.377 ( 0.239 -0.863 -0.231) 0.925 5.428 ( 1.590 2.017 -0.852) 2.706 5.463 ( -0.316 -0.751 -2.921) 3.032 5.513 ( -1.915 3.905 -0.159) 4.352 5.564 ( -0.402 2.686 1.822) 3.270 5.632 ( -0.192 2.305 1.160) 2.588 5.713 ( -0.569 -2.440 -2.200) 3.334 5.775 ( -0.443 4.165 0.938) 4.292 5.846 ( -3.021 6.049 -2.730) 7.292 5.908 ( 0.413 -0.518 2.523) 2.609 5.945 ( 6.288 -4.453 -3.756) 8.572 6.031 ( -0.014 1.109 2.580) 2.808 6.096 ( -3.072 -3.124 -5.674) 7.169 6.125 ( -1.358 4.067 -2.587) 5.007 6.174 ( -0.041 0.132 -0.771) 0.783 6.207 ( -8.317 0.619 0.907) 8.389 6.307 ( -1.601 -4.005 -2.620) 5.046 6.447 ( 3.283 -0.944 3.891) 5.178 6.500 ( -6.035 -2.576 0.866) 6.619 6.535 ( -0.074 -0.094 1.024) 1.031 6.581 ( 5.746 1.258 2.799) 6.514 6.617 ( -4.832 -1.452 2.250) 5.524 6.658 ( -2.973 -2.340 2.726) 4.663 6.792 ( 0.959 1.582 2.737) 3.304 6.870 ( -1.625 -0.253 4.490) 4.782 6.906 ( -1.023 -0.048 -2.314) 2.531 7.075 ( -0.738 0.845 -0.709) 1.327 7.159 ( -3.978 -3.088 -1.958) 5.403 7.210 ( 0.750 1.844 -0.370) 2.025 7.290 ( 0.687 0.475 1.965) 2.135 7.326 ( -2.152 4.276 -1.376) 4.981 7.428 ( -0.920 0.604 -1.477) 1.842 7.561 ( -0.018 1.917 1.757) 2.601 7.593 ( -1.101 -0.618 -0.074) 1.264 7.639 ( -0.680 2.979 -0.765) 3.150 7.789 ( -0.546 -1.263 -1.338) 1.919 9.659 ( 1.169 2.149 -0.093) 2.448 9.684 ( 0.863 1.281 -0.157) 1.553 9.876 ( 0.846 1.154 0.120) 1.436 9.914 ( 0.727 0.631 -0.187) 0.981 10.269 ( 0.804 -3.644 0.656) 3.789 10.294 ( 0.194 -4.760 -0.429) 4.783 11.696 ( -5.207 6.324 -0.576) 8.212 11.873 ( -8.070 1.975 0.519) 8.325 12.618 ( 3.069 6.604 2.220) 7.613 12.732 ( -1.048 2.396 -0.520) 2.666 12.806 ( -0.072 1.398 -0.967) 1.702 12.857 ( 1.155 -0.344 0.298) 1.241 12.957 ( 2.824 0.333 -2.500) 3.787 13.121 ( 2.385 -0.164 1.370) 2.755 13.220 ( 3.018 -4.518 -3.781) 6.620 13.274 ( 6.513 -10.509 4.462) 13.144======================= Grid point 17 (12/60) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( 6.452 6.325 0.638) 9.058 1.603 ( -0.276 5.657 5.283) 7.745 1.839 ( 4.404 6.754 -0.442) 8.075 1.907 ( -2.282 6.137 -2.515) 7.014 2.077 ( 11.611 6.971 -2.221) 13.724 2.218 ( -2.025 5.505 -2.291) 6.297 2.289 ( 4.989 7.046 6.251) 10.659 2.421 ( -8.800 2.677 -1.068) 9.260 2.450 ( 5.277 0.373 -4.934) 7.234 2.480 ( -2.074 -4.140 -5.127) 6.908 2.643 ( -1.873 -0.232 -0.796) 2.048 2.702 ( 4.701 1.588 7.594) 9.072 2.804 ( 2.274 2.519 -3.282) 4.721 2.833 ( -2.579 -2.295 4.823) 5.931 2.922 ( -6.221 -1.679 2.336) 6.854 3.084 ( -1.145 -0.932 0.517) 1.564 3.127 ( 4.083 -0.100 4.203) 5.861 3.140 ( -3.326 -1.571 -2.278) 4.327 3.187 ( 1.401 -1.889 -4.611) 5.176 3.263 ( 1.001 -5.146 -0.452) 5.262 3.311 ( 2.557 0.501 0.017) 2.605 3.327 ( -3.135 -1.523 -1.248) 3.702 3.346 ( 3.333 -1.689 3.416) 5.063 3.456 ( -1.713 -5.633 -1.569) 6.094 3.510 ( -1.044 -4.789 -0.659) 4.945 3.591 ( -1.957 -3.566 1.074) 4.207 3.728 ( 4.130 -4.764 6.545) 9.088 3.781 ( 2.465 -3.217 0.957) 4.164 3.797 ( 0.215 -4.033 -2.375) 4.685 3.878 ( 1.008 0.986 5.946) 6.111 3.954 ( -0.638 -4.435 -5.315) 6.952 3.995 ( 1.108 -1.964 -5.469) 5.915 4.015 ( 1.919 2.378 1.215) 3.288 4.160 ( -2.099 -1.514 0.338) 2.610 4.204 ( -2.209 3.797 -2.386) 4.998 4.287 ( 4.125 0.327 -1.917) 4.560 4.352 ( 1.777 3.448 2.087) 4.405 4.419 ( -1.085 -4.286 -2.543) 5.101 4.460 ( 5.902 3.748 6.129) 9.297 4.507 ( 3.061 1.630 -1.071) 3.629 4.575 ( -3.597 3.295 3.325) 5.904 4.624 ( -2.019 -0.352 -0.388) 2.086 4.671 ( -3.548 -0.487 2.440) 4.334 4.721 ( 1.993 -3.970 -2.243) 4.976 4.779 ( 2.674 0.532 -6.689) 7.224 4.844 ( -1.446 -6.049 1.634) 6.431 4.889 ( -1.104 -1.948 1.791) 2.867 4.932 ( 0.673 -3.919 0.757) 4.048 4.986 ( 0.315 -5.642 0.530) 5.676 5.028 ( -1.579 0.574 -0.354) 1.717 5.085 ( 2.991 1.385 -3.198) 4.592 5.105 ( -3.000 1.894 1.352) 3.797 5.171 ( 0.547 -0.306 1.907) 2.008 5.193 ( 2.334 2.515 1.678) 3.819 5.257 ( -3.053 4.327 -0.507) 5.319 5.292 ( -3.703 4.242 -3.756) 6.769 5.374 ( 8.595 0.927 0.966) 8.698 5.425 ( 3.430 2.751 -3.212) 5.445 5.459 ( -2.690 2.138 1.370) 3.699 5.538 ( 4.446 -0.531 -0.567) 4.513 5.581 ( -2.698 2.994 1.094) 4.175 5.604 ( 1.126 3.685 0.682) 3.913 5.693 ( -5.324 0.027 -1.760) 5.608 5.719 ( -4.554 0.921 -1.088) 4.772 5.770 ( 1.528 0.724 -0.397) 1.737 5.894 ( -4.702 1.879 0.131) 5.065 5.953 ( -2.737 -2.792 2.273) 4.523 5.967 ( -0.073 -0.613 -2.410) 2.487 6.005 ( -0.449 -5.021 -2.982) 5.857 6.101 ( 1.810 -2.667 -3.290) 4.606 6.170 ( -1.384 0.053 0.650) 1.530 6.227 ( 3.697 -1.246 1.159) 4.070 6.319 ( 0.754 4.574 1.851) 4.992 6.402 ( -1.680 -3.281 0.473) 3.716 6.478 ( -2.503 -1.572 1.629) 3.375 6.500 ( -4.162 -4.046 0.062) 5.805 6.534 ( -1.378 -1.743 -1.584) 2.729 6.700 ( 5.040 1.178 2.164) 5.610 6.747 ( 1.935 -1.247 5.218) 5.703 6.821 ( 0.826 2.891 -1.352) 3.296 6.846 ( -3.236 -1.008 -1.172) 3.586 6.885 ( 0.272 -1.773 0.885) 2.000 7.063 ( -3.595 -0.173 -0.474) 3.631 7.074 ( 0.608 0.716 -0.282) 0.981 7.226 ( 1.279 4.798 -0.043) 4.966 7.283 ( -0.778 4.201 -0.450) 4.296 7.300 ( -1.149 2.161 -0.297) 2.465 7.401 ( -0.324 0.592 -1.018) 1.222 7.545 ( -1.384 0.589 0.234) 1.522 7.620 ( 0.967 0.196 1.798) 2.051 7.649 ( 1.854 0.319 0.089) 1.884 7.740 ( -2.430 -2.412 -1.450) 3.718 9.679 ( 1.028 2.046 -0.238) 2.303 9.689 ( -0.179 1.873 0.075) 1.883 9.892 ( 0.563 1.068 0.154) 1.217 9.918 ( 0.049 0.645 -0.248) 0.693 10.287 ( 0.533 -4.075 0.191) 4.115 10.294 ( -0.007 -4.777 -0.054) 4.778 11.630 ( -1.419 5.464 -0.516) 5.669 11.767 ( -3.844 0.545 0.682) 3.942 12.645 ( 0.025 5.481 -0.927) 5.559 12.743 ( 0.907 7.875 1.971) 8.168 12.789 ( -0.515 -0.472 -1.254) 1.436 12.897 ( 1.367 -1.700 1.499) 2.647 12.968 ( 0.819 0.961 -1.631) 2.063 13.171 ( 1.204 -1.155 1.166) 2.036 13.223 ( 1.114 -5.273 -2.356) 5.882 13.379 ( 1.914 -8.822 1.312) 9.122======================= Grid point 21 (13/60) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( 0.000 5.843 0.000) 5.843 1.429 ( 0.000 2.202 0.000) 2.202 1.729 ( 0.000 17.748 0.000) 17.748 1.920 ( 0.000 19.764 0.000) 19.764 2.011 ( 0.000 -7.697 0.000) 7.697 2.191 ( 0.000 4.320 0.000) 4.320 2.221 ( 0.000 -7.861 0.000) 7.861 2.296 ( 0.000 -5.796 0.000) 5.796 2.338 ( 0.000 -0.862 0.000) 0.862 2.470 ( 0.000 -13.960 0.000) 13.960 2.634 ( 0.000 4.956 0.000) 4.956 2.758 ( 0.000 2.262 0.000) 2.262 2.802 ( 0.000 3.155 0.000) 3.155 2.855 ( 0.000 1.903 0.000) 1.903 2.880 ( 0.000 -0.940 0.000) 0.940 2.971 ( 0.000 -2.449 0.000) 2.449 3.052 ( 0.000 1.983 0.000) 1.983 3.091 ( 0.000 -2.200 0.000) 2.200 3.156 ( 0.000 4.611 0.000) 4.611 3.230 ( 0.000 -4.753 0.000) 4.753 3.305 ( 0.000 8.947 0.000) 8.947 3.383 ( 0.000 0.786 0.000) 0.786 3.418 ( 0.000 -0.315 0.000) 0.315 3.437 ( 0.000 -1.745 0.000) 1.745 3.521 ( 0.000 4.670 0.000) 4.670 3.537 ( 0.000 6.790 0.000) 6.790 3.572 ( 0.000 -1.833 0.000) 1.833 3.640 ( 0.000 -4.172 0.000) 4.172 3.674 ( 0.000 2.166 0.000) 2.166 3.768 ( 0.000 -0.632 0.000) 0.632 3.812 ( 0.000 -7.048 0.000) 7.048 3.828 ( 0.000 0.735 0.000) 0.735 3.909 ( 0.000 -10.852 0.000) 10.852 3.956 ( 0.000 -11.460 0.000) 11.460 4.151 ( 0.000 -2.452 0.000) 2.452 4.173 ( 0.000 -4.792 0.000) 4.792 4.307 ( 0.000 2.270 0.000) 2.270 4.375 ( 0.000 -5.459 0.000) 5.459 4.496 ( 0.000 -1.242 0.000) 1.242 4.525 ( 0.000 -3.294 0.000) 3.294 4.610 ( 0.000 3.157 0.000) 3.157 4.648 ( 0.000 -0.729 0.000) 0.729 4.741 ( 0.000 2.562 0.000) 2.562 4.774 ( 0.000 -2.804 0.000) 2.804 4.778 ( 0.000 7.661 0.000) 7.661 4.881 ( 0.000 2.338 0.000) 2.338 4.899 ( 0.000 0.545 0.000) 0.545 4.951 ( 0.000 -6.873 0.000) 6.873 5.039 ( 0.000 3.028 0.000) 3.028 5.055 ( 0.000 2.619 0.000) 2.619 5.127 ( 0.000 2.092 0.000) 2.092 5.133 ( 0.000 0.335 0.000) 0.335 5.158 ( 0.000 -1.863 0.000) 1.863 5.172 ( 0.000 0.373 0.000) 0.373 5.233 ( 0.000 4.858 0.000) 4.858 5.291 ( 0.000 3.105 0.000) 3.105 5.418 ( 0.000 -1.668 0.000) 1.668 5.426 ( 0.000 -6.469 0.000) 6.469 5.508 ( 0.000 2.863 0.000) 2.863 5.517 ( 0.000 1.278 0.000) 1.278 5.642 ( 0.000 -0.020 0.000) 0.020 5.696 ( 0.000 -4.869 0.000) 4.869 5.744 ( 0.000 1.159 0.000) 1.159 5.784 ( 0.000 -2.326 0.000) 2.326 5.814 ( 0.000 3.804 0.000) 3.804 5.845 ( 0.000 3.309 0.000) 3.309 5.926 ( 0.000 -2.301 0.000) 2.301 5.942 ( 0.000 -1.597 0.000) 1.597 6.029 ( 0.000 1.976 0.000) 1.976 6.078 ( 0.000 -3.536 0.000) 3.536 6.265 ( 0.000 5.198 0.000) 5.198 6.278 ( 0.000 3.524 0.000) 3.524 6.353 ( 0.000 -2.770 0.000) 2.770 6.381 ( 0.000 -4.906 0.000) 4.906 6.523 ( 0.000 3.388 0.000) 3.388 6.578 ( 0.000 -1.449 0.000) 1.449 6.681 ( 0.000 2.214 0.000) 2.214 6.708 ( 0.000 -0.744 0.000) 0.744 6.736 ( 0.000 -0.539 0.000) 0.539 6.748 ( 0.000 -1.527 0.000) 1.527 6.908 ( 0.000 2.759 0.000) 2.759 6.941 ( 0.000 -0.385 0.000) 0.385 7.069 ( 0.000 2.092 0.000) 2.092 7.108 ( 0.000 -1.102 0.000) 1.102 7.185 ( 0.000 -0.777 0.000) 0.777 7.225 ( 0.000 -4.873 0.000) 4.873 7.436 ( 0.000 2.521 0.000) 2.521 7.470 ( 0.000 -0.705 0.000) 0.705 7.644 ( 0.000 3.747 0.000) 3.747 7.704 ( 0.000 -1.583 0.000) 1.583 7.722 ( 0.000 1.540 0.000) 1.540 7.739 ( 0.000 -0.936 0.000) 0.936 9.679 ( 0.000 1.101 0.000) 1.101 9.682 ( 0.000 1.077 0.000) 1.077 9.883 ( 0.000 1.139 0.000) 1.139 9.897 ( 0.000 -0.125 0.000) 0.125 10.195 ( 0.000 -1.051 0.000) 1.051 10.215 ( 0.000 -3.073 0.000) 3.073 12.070 ( 0.000 9.233 0.000) 9.233 12.223 ( 0.000 -5.939 0.000) 5.939 12.572 ( 0.000 2.406 0.000) 2.406 12.609 ( 0.000 -1.002 0.000) 1.002 12.702 ( 0.000 1.772 0.000) 1.772 12.757 ( 0.000 -3.568 0.000) 3.568 12.959 ( 0.000 2.668 0.000) 2.668 12.982 ( 0.000 0.054 0.000) 0.054 13.091 ( 0.000 1.414 0.000) 1.414 13.134 ( 0.000 -2.631 0.000) 2.631======================= Grid point 22 (14/60) =======================q-point: ( 0.14 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( 3.628 8.520 -2.828) 9.682 1.492 ( 6.766 0.259 -2.386) 7.179 1.809 ( 7.261 14.242 1.921) 16.101 1.923 ( 4.014 8.784 4.020) 10.461 2.071 ( -1.593 9.158 -7.406) 11.885 2.162 ( 5.797 -1.733 -1.860) 6.330 2.279 ( 3.920 -8.390 -3.773) 10.000 2.314 ( 2.241 -9.371 4.202) 10.512 2.454 ( 4.558 2.602 6.927) 8.691 2.552 ( 2.820 -6.291 1.757) 7.115 2.655 ( 0.247 1.431 2.595) 2.974 2.698 ( -6.301 -3.964 1.538) 7.601 2.761 ( -6.487 3.021 2.614) 7.619 2.879 ( -1.324 -5.951 1.825) 6.364 2.906 ( 2.496 5.943 -0.505) 6.465 2.940 ( -0.101 4.380 -3.142) 5.391 2.992 ( 3.141 0.816 -0.764) 3.334 3.079 ( 2.315 -3.586 -2.098) 4.756 3.205 ( -4.027 3.414 -0.822) 5.343 3.234 ( 5.502 7.096 -2.846) 9.419 3.280 ( -4.548 -2.883 -3.081) 6.204 3.318 ( 1.500 0.707 -0.831) 1.855 3.410 ( -0.072 -0.834 -3.080) 3.192 3.422 ( -0.875 2.281 -1.987) 3.150 3.492 ( 0.664 -1.431 1.763) 2.366 3.507 ( -3.951 -1.555 2.381) 4.868 3.617 ( 2.197 6.664 5.360) 8.830 3.690 ( -0.298 1.886 1.551) 2.460 3.739 ( 1.801 -0.724 1.877) 2.700 3.760 ( 1.125 -3.454 3.625) 5.132 3.824 ( 2.369 -2.146 4.010) 5.128 3.877 ( 0.289 -1.962 0.744) 2.118 3.921 ( 0.854 -10.326 0.692) 10.385 3.973 ( 0.790 -5.496 2.347) 6.028 4.179 ( 1.266 -3.081 1.788) 3.781 4.191 ( 2.228 -3.340 0.188) 4.020 4.306 ( 0.766 0.745 -2.118) 2.372 4.370 ( 1.468 -6.784 -2.787) 7.479 4.491 ( -0.154 0.411 -0.293) 0.528 4.537 ( 2.467 -3.122 -2.553) 4.728 4.600 ( -1.349 1.435 1.956) 2.775 4.620 ( -0.038 -1.859 -0.902) 2.066 4.732 ( -1.206 7.096 -5.496) 9.056 4.765 ( 0.657 0.874 -0.083) 1.096 4.783 ( 1.215 -0.462 0.177) 1.311 4.851 ( -1.399 2.243 -0.664) 2.726 4.932 ( -0.235 -6.383 -3.372) 7.223 4.935 ( 0.640 -1.623 -1.572) 2.349 5.033 ( -3.563 2.616 -3.234) 5.477 5.051 ( -3.502 0.343 -3.364) 4.868 5.070 ( -0.496 1.596 -3.503) 3.881 5.091 ( -3.835 -0.612 0.461) 3.910 5.125 ( 1.700 4.882 3.878) 6.462 5.183 ( 2.406 -0.575 1.143) 2.725 5.284 ( 3.997 2.613 -1.291) 4.947 5.349 ( 0.197 5.817 4.389) 7.290 5.364 ( -0.767 -2.217 -2.966) 3.782 5.423 ( -1.933 0.883 -2.663) 3.407 5.468 ( -0.580 -3.411 2.177) 4.088 5.508 ( -0.029 -4.119 -0.754) 4.187 5.650 ( 0.287 3.769 -0.696) 3.843 5.661 ( -3.173 2.661 4.046) 5.790 5.740 ( -1.972 -1.420 0.187) 2.437 5.770 ( 5.834 -5.277 -6.459) 10.179 5.828 ( -1.894 2.047 3.222) 4.261 5.865 ( -0.343 -0.334 1.333) 1.417 5.969 ( 4.767 0.317 0.667) 4.824 5.982 ( 2.645 1.298 -0.245) 2.956 6.094 ( 4.211 0.816 -1.229) 4.462 6.144 ( 4.172 -3.307 -1.350) 5.492 6.230 ( -2.889 2.293 1.512) 3.987 6.261 ( -4.925 -0.087 2.315) 5.442 6.365 ( 3.514 1.691 1.179) 4.075 6.411 ( 3.034 -2.350 -0.395) 3.858 6.479 ( -4.178 1.821 -5.137) 6.867 6.512 ( -4.198 -1.179 -2.552) 5.053 6.637 ( -6.561 1.124 1.154) 6.756 6.673 ( -2.302 1.973 2.797) 4.125 6.690 ( -4.667 -2.271 3.516) 6.269 6.730 ( -1.973 -2.047 3.082) 4.193 6.921 ( -1.134 3.437 2.071) 4.170 6.951 ( -1.340 0.688 0.320) 1.540 7.073 ( 1.032 0.443 -0.103) 1.128 7.126 ( 0.513 -3.896 -1.539) 4.220 7.202 ( 0.974 0.016 2.520) 2.701 7.221 ( 0.590 -1.904 1.081) 2.268 7.432 ( -0.675 2.166 0.122) 2.272 7.458 ( -1.312 -0.431 0.355) 1.426 7.615 ( -1.427 2.396 -2.131) 3.510 7.649 ( -2.435 -0.887 -3.080) 4.025 7.728 ( -0.160 2.500 0.125) 2.508 7.764 ( 1.053 -1.319 0.061) 1.689 9.683 ( 0.579 1.415 -0.111) 1.533 9.690 ( 0.854 0.797 -0.039) 1.168 9.886 ( 0.414 1.117 -0.058) 1.192 9.902 ( 0.602 -0.378 -0.107) 0.719 10.200 ( 0.270 -1.269 0.317) 1.335 10.215 ( 0.086 -2.879 -0.131) 2.883 11.970 ( -8.748 6.739 -0.463) 11.052 12.063 ( -10.283 -2.345 -2.330) 10.801 12.643 ( 5.274 5.684 1.178) 7.842 12.720 ( 1.932 -0.662 -0.087) 2.045 12.775 ( 2.430 -1.503 1.559) 3.255 12.798 ( 10.318 -5.160 2.712) 11.850 12.953 ( -0.166 3.759 -0.912) 3.872 12.996 ( 1.280 -0.933 0.996) 1.871 13.091 ( 0.386 1.002 0.173) 1.088 13.134 ( 1.259 -3.192 -2.029) 3.986======================= Grid point 23 (15/60) =======================q-point: ( 0.29 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( 6.724 8.207 0.702) 10.633 1.596 ( 3.652 -0.482 1.462) 3.963 1.991 ( 7.195 12.027 4.500) 14.720 2.043 ( 5.776 6.077 1.064) 8.451 2.074 ( -0.630 10.286 1.489) 10.413 2.220 ( 10.815 1.796 -5.093) 12.088 2.331 ( 9.897 -8.648 -6.761) 14.780 2.352 ( -3.934 -8.382 2.079) 9.490 2.492 ( -1.998 2.844 -3.503) 4.935 2.524 ( -4.192 4.555 -4.040) 7.392 2.597 ( 0.819 -3.381 4.068) 5.353 2.645 ( 0.334 -7.178 -1.517) 7.344 2.770 ( -2.943 3.635 0.300) 4.687 2.856 ( 1.280 -0.900 3.839) 4.146 2.917 ( 0.082 -1.417 -3.034) 3.350 2.998 ( -1.674 -3.664 -4.463) 6.012 3.053 ( 4.380 0.111 4.910) 6.580 3.114 ( -0.595 -3.861 0.778) 3.983 3.145 ( 0.121 2.795 4.106) 4.969 3.220 ( 0.834 -2.712 3.556) 4.549 3.302 ( -0.847 4.919 -3.172) 5.914 3.319 ( 2.169 5.932 0.106) 6.317 3.335 ( -1.866 1.950 1.538) 3.106 3.426 ( -2.699 -3.376 -0.202) 4.327 3.485 ( 1.434 -4.287 -1.903) 4.905 3.517 ( -1.908 -6.316 -1.512) 6.769 3.671 ( 0.585 5.165 1.591) 5.436 3.727 ( 1.541 3.189 3.776) 5.177 3.773 ( -1.609 1.238 3.914) 4.409 3.857 ( 2.429 5.969 2.493) 6.910 3.873 ( -2.327 -7.605 3.470) 8.677 3.904 ( 4.679 -0.930 2.204) 5.255 3.989 ( 0.082 -3.207 3.018) 4.405 4.038 ( 5.003 -5.573 3.816) 8.405 4.231 ( 4.123 0.237 -0.344) 4.145 4.261 ( 6.521 -1.166 -1.715) 6.842 4.304 ( 0.043 -0.514 0.040) 0.517 4.370 ( 4.312 -4.288 -6.665) 9.023 4.487 ( -0.387 3.978 2.443) 4.684 4.552 ( -1.617 -2.316 3.642) 4.609 4.597 ( -2.396 -0.004 -1.245) 2.700 4.619 ( -0.519 6.462 -6.855) 9.435 4.647 ( 3.641 -6.728 1.068) 7.724 4.739 ( -2.735 -4.406 -6.182) 8.069 4.785 ( 1.739 0.917 -3.160) 3.721 4.834 ( 2.291 -0.308 -2.926) 3.729 4.863 ( -7.265 -0.062 0.810) 7.311 4.914 ( -3.540 -0.566 -1.573) 3.915 4.918 ( 2.801 0.303 -1.262) 3.087 4.970 ( -0.083 -1.979 -2.346) 3.071 5.063 ( 1.598 3.175 4.374) 5.636 5.098 ( 1.693 0.460 0.674) 1.879 5.193 ( -0.627 1.107 2.170) 2.515 5.196 ( -3.584 -0.390 -1.515) 3.911 5.281 ( 2.151 3.524 -0.480) 4.156 5.342 ( 3.711 -0.232 -0.400) 3.740 5.376 ( -2.396 -1.798 -2.427) 3.855 5.386 ( -0.700 -3.088 -1.322) 3.431 5.507 ( 6.764 5.418 1.609) 8.815 5.589 ( 0.888 -0.190 2.368) 2.536 5.641 ( 1.111 3.840 0.989) 4.118 5.656 ( -2.397 2.592 0.343) 3.547 5.686 ( -2.479 0.100 -2.468) 3.499 5.793 ( -0.694 -5.225 -0.799) 5.331 5.844 ( 3.928 -1.477 -1.432) 4.434 5.869 ( 0.517 -2.245 -0.618) 2.385 5.966 ( -3.484 4.355 -1.730) 5.839 6.026 ( -2.567 -2.625 -2.439) 4.407 6.064 ( -2.264 2.208 -2.854) 4.260 6.130 ( -2.771 -3.111 -2.492) 4.855 6.212 ( 0.008 2.886 0.793) 2.993 6.251 ( -0.172 -0.150 2.141) 2.153 6.281 ( -4.953 3.986 -4.081) 7.555 6.400 ( -4.256 -6.702 -0.772) 7.976 6.454 ( 1.972 2.350 3.452) 4.618 6.516 ( -1.560 -2.853 3.349) 4.668 6.566 ( -0.344 1.133 3.033) 3.256 6.610 ( -6.114 -2.411 1.992) 6.868 6.686 ( 0.086 4.944 3.533) 6.077 6.773 ( 0.869 -3.282 4.992) 6.037 6.893 ( -1.183 1.528 -2.226) 2.948 6.909 ( -1.996 0.068 -1.857) 2.727 7.081 ( -0.720 0.044 0.726) 1.024 7.100 ( -1.035 -2.033 -0.225) 2.292 7.252 ( 1.795 1.946 1.856) 3.233 7.281 ( 2.244 -0.955 2.006) 3.158 7.406 ( -2.227 2.832 -0.278) 3.613 7.435 ( -1.174 -0.333 -0.588) 1.355 7.581 ( 0.194 0.360 -0.453) 0.610 7.585 ( -0.874 -0.194 -2.006) 2.197 7.703 ( -1.999 3.113 -0.907) 3.809 7.755 ( -1.556 -2.152 -1.098) 2.873 9.698 ( 1.179 1.563 -0.080) 1.959 9.708 ( 1.021 0.688 0.014) 1.231 9.896 ( 0.662 0.954 0.036) 1.162 9.913 ( 0.613 -0.622 -0.135) 0.884 10.210 ( 0.446 -1.764 0.302) 1.845 10.216 ( 0.198 -2.484 -0.110) 2.494 11.811 ( -7.116 4.878 -0.539) 8.645 11.877 ( -8.273 -1.647 -0.522) 8.452 12.719 ( 1.408 2.590 0.265) 2.960 12.740 ( 0.505 -0.404 0.821) 1.045 12.859 ( 4.928 4.123 0.902) 6.488 12.906 ( 1.599 2.397 -3.513) 4.543 12.970 ( 2.579 1.913 0.030) 3.211 13.082 ( 5.160 -7.458 2.167) 9.324 13.116 ( 1.084 -1.139 2.035) 2.572 13.138 ( 1.451 -3.150 -1.391) 3.736======================= Grid point 24 (16/60) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( 2.368 4.538 1.003) 5.216 1.650 ( -0.098 -0.615 1.883) 1.983 2.029 ( 0.305 10.860 -1.233) 10.934 2.071 ( -2.213 10.733 -0.093) 10.959 2.179 ( 3.496 0.019 1.939) 3.997 2.293 ( 1.714 -5.339 0.211) 5.612 2.352 ( -0.831 -3.675 0.167) 3.772 2.407 ( 4.163 -3.678 -5.941) 8.133 2.438 ( 5.737 8.962 -5.135) 11.815 2.518 ( 2.692 5.614 -1.000) 6.306 2.636 ( -4.557 -0.035 0.757) 4.620 2.705 ( -2.821 -3.318 5.318) 6.874 2.780 ( 10.808 0.183 3.969) 11.515 2.819 ( 1.371 -1.775 0.302) 2.264 2.918 ( 0.373 1.021 1.390) 1.765 2.986 ( -0.013 -5.314 -1.007) 5.408 3.096 ( -3.033 -1.594 -1.710) 3.829 3.109 ( -4.279 -1.984 -0.691) 4.767 3.201 ( -0.231 0.236 1.349) 1.389 3.240 ( 0.389 -3.283 4.801) 5.829 3.266 ( 2.331 4.016 -2.794) 5.419 3.327 ( -1.021 2.149 -3.203) 3.990 3.358 ( 1.829 -0.427 -0.879) 2.073 3.406 ( -0.855 0.234 4.522) 4.608 3.428 ( -0.832 -2.615 -1.395) 3.078 3.476 ( -1.821 -6.564 0.713) 6.849 3.675 ( -2.433 0.681 1.899) 3.161 3.729 ( -0.932 -2.489 -1.361) 2.986 3.766 ( -0.670 0.172 0.802) 1.059 3.817 ( -3.755 -5.676 -1.302) 6.929 3.937 ( 1.423 3.461 2.896) 4.732 3.982 ( -0.598 0.956 -0.545) 1.252 4.047 ( 5.464 -0.500 0.345) 5.498 4.107 ( -0.915 -4.266 1.828) 4.730 4.242 ( 0.014 1.243 -2.317) 2.629 4.284 ( -1.224 -3.386 0.259) 3.609 4.421 ( 6.773 7.834 0.253) 10.359 4.455 ( 8.390 2.917 -3.467) 9.535 4.514 ( -1.027 -0.269 -2.314) 2.546 4.533 ( 0.815 -3.188 -0.153) 3.294 4.573 ( 2.136 6.101 2.766) 7.031 4.642 ( 0.948 -3.160 0.080) 3.300 4.649 ( 0.521 -1.096 2.604) 2.873 4.684 ( -0.426 -3.014 1.115) 3.242 4.756 ( -1.943 2.094 -0.325) 2.875 4.790 ( -1.405 1.136 -1.833) 2.574 4.838 ( -2.624 -1.094 -3.634) 4.614 4.845 ( -1.845 -4.591 1.301) 5.116 4.955 ( 2.054 0.406 0.869) 2.267 4.990 ( 1.169 -3.092 1.524) 3.640 5.103 ( 0.386 0.625 -0.319) 0.800 5.121 ( -2.044 -0.852 -0.824) 2.363 5.178 ( 2.328 1.533 0.869) 2.919 5.203 ( 0.478 -0.532 1.114) 1.324 5.332 ( 2.537 1.497 1.647) 3.375 5.345 ( 3.931 0.046 -0.170) 3.935 5.400 ( 1.819 2.992 0.962) 3.631 5.451 ( 4.367 -1.432 1.501) 4.834 5.508 ( -6.068 3.149 -1.412) 6.981 5.555 ( -2.928 0.034 -1.868) 3.474 5.630 ( 3.797 2.589 -2.842) 5.403 5.650 ( 2.395 0.498 -2.987) 3.861 5.684 ( -1.566 2.317 -0.659) 2.873 5.737 ( -5.147 -2.409 0.908) 5.755 5.796 ( -5.843 2.867 -2.040) 6.820 5.868 ( -0.738 -3.627 -0.677) 3.762 5.907 ( -1.611 -1.010 -1.516) 2.432 5.936 ( -1.158 -2.421 1.571) 3.110 5.974 ( -0.530 2.787 -1.718) 3.316 6.047 ( -2.221 -3.415 -1.775) 4.444 6.211 ( -0.354 3.767 0.562) 3.825 6.242 ( 1.278 2.841 -1.059) 3.290 6.303 ( -0.941 -5.044 1.117) 5.252 6.330 ( -1.733 -4.612 1.453) 5.137 6.458 ( -2.424 0.363 0.860) 2.597 6.485 ( -1.392 -2.124 0.627) 2.616 6.543 ( -1.027 7.100 1.078) 7.255 6.674 ( 2.792 -4.978 4.106) 7.031 6.739 ( 1.947 1.786 1.071) 2.851 6.793 ( -2.398 -3.382 -1.332) 4.354 6.858 ( -0.036 1.184 -1.363) 1.806 6.875 ( 0.337 -0.527 -0.048) 0.627 7.079 ( -0.682 1.336 1.751) 2.306 7.090 ( 0.185 0.411 -0.688) 0.823 7.298 ( 1.077 2.180 1.365) 2.789 7.314 ( -0.043 0.235 0.479) 0.536 7.365 ( -0.940 3.057 -0.592) 3.253 7.404 ( -0.736 -0.831 -1.054) 1.531 7.569 ( 0.067 2.172 -0.614) 2.258 7.614 ( 2.216 -1.570 1.142) 2.946 7.660 ( -0.926 1.239 -0.546) 1.640 7.694 ( -3.223 -2.107 -1.166) 4.023 9.717 ( 0.701 1.475 -0.054) 1.634 9.723 ( 0.381 1.011 0.075) 1.083 9.907 ( 0.342 0.573 0.043) 0.669 9.919 ( 0.137 -0.492 -0.125) 0.526 10.218 ( 0.211 -2.121 -0.091) 2.133 10.220 ( 0.149 -2.256 0.161) 2.266 11.721 ( -2.287 3.479 -0.226) 4.170 11.764 ( -3.477 -1.012 0.044) 3.622 12.725 ( 0.043 2.149 -0.153) 2.155 12.750 ( -0.130 -1.031 0.319) 1.087 12.886 ( 0.352 4.199 -1.433) 4.451 12.949 ( 2.950 1.303 0.331) 3.241 12.998 ( 0.430 6.367 -0.004) 6.382 13.128 ( 1.034 -2.813 -0.798) 3.101 13.143 ( 0.358 -1.894 0.215) 1.940 13.196 ( 1.932 -9.198 1.679) 9.548======================= Grid point 49 (17/60) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.516 ( 23.923 0.000 25.981) 35.317 0.571 ( -2.898 0.000 29.520) 29.662 0.952 ( -18.493 0.000 47.111) 50.611 1.359 ( -13.413 0.000 -16.263) 21.081 1.618 ( 7.770 0.000 -14.931) 16.832 1.903 ( 4.845 0.000 -7.541) 8.964 2.147 ( 0.835 0.000 -6.342) 6.397 2.370 ( 4.639 0.000 -13.462) 14.239 2.472 ( -0.145 0.000 3.883) 3.886 2.555 ( 1.942 0.000 -5.335) 5.677 2.607 ( 4.982 0.000 0.694) 5.030 2.627 ( 3.364 0.000 8.014) 8.692 2.859 ( 1.624 0.000 6.088) 6.301 2.941 ( -9.695 0.000 -2.492) 10.010 2.973 ( 6.724 0.000 1.968) 7.007 3.042 ( -3.772 0.000 -7.965) 8.814 3.163 ( -5.214 0.000 -5.054) 7.261 3.208 ( -1.627 0.000 -0.346) 1.663 3.227 ( 3.954 0.000 6.334) 7.467 3.253 ( -1.008 0.000 -4.632) 4.740 3.420 ( -0.203 0.000 4.703) 4.707 3.433 ( 1.491 0.000 11.244) 11.342 3.469 ( 0.946 0.000 2.041) 2.250 3.482 ( -2.255 0.000 0.775) 2.384 3.602 ( -1.311 0.000 -1.012) 1.656 3.684 ( 0.279 0.000 -4.255) 4.264 3.739 ( 1.194 0.000 0.944) 1.522 3.802 ( 1.445 0.000 -5.840) 6.016 3.897 ( 8.838 0.000 2.151) 9.096 3.910 ( -1.017 0.000 0.702) 1.236 3.988 ( -4.224 0.000 1.435) 4.461 4.028 ( -1.250 0.000 0.774) 1.471 4.142 ( 2.121 0.000 -2.176) 3.038 4.155 ( -2.315 0.000 -5.464) 5.935 4.216 ( 0.106 0.000 10.786) 10.786 4.272 ( 1.721 0.000 0.155) 1.728 4.287 ( -3.830 0.000 -2.534) 4.592 4.448 ( 0.600 0.000 1.698) 1.801 4.497 ( -0.196 0.000 -2.490) 2.498 4.536 ( 0.875 0.000 -4.118) 4.210 4.608 ( -0.148 0.000 2.427) 2.432 4.668 ( -3.927 0.000 0.182) 3.931 4.693 ( -0.501 0.000 -3.508) 3.544 4.699 ( -0.767 0.000 8.126) 8.162 4.717 ( -1.736 0.000 -2.956) 3.428 4.800 ( -5.800 0.000 3.955) 7.020 4.964 ( -2.684 0.000 3.605) 4.494 5.017 ( 3.868 0.000 2.115) 4.408 5.032 ( 1.882 0.000 -0.641) 1.989 5.075 ( 6.604 0.000 -5.274) 8.452 5.081 ( 3.176 0.000 -0.876) 3.294 5.084 ( 2.076 0.000 -11.845) 12.026 5.092 ( -1.729 0.000 1.445) 2.253 5.136 ( 0.623 0.000 -0.127) 0.635 5.276 ( -2.693 0.000 4.343) 5.111 5.319 ( -1.053 0.000 -6.471) 6.557 5.371 ( -0.809 0.000 3.234) 3.334 5.395 ( 5.452 0.000 -6.812) 8.725 5.422 ( 6.136 0.000 -4.683) 7.719 5.435 ( -4.128 0.000 -3.272) 5.268 5.496 ( -1.449 0.000 2.963) 3.298 5.579 ( -6.802 0.000 1.274) 6.920 5.649 ( -6.186 0.000 0.663) 6.222 5.697 ( 0.431 0.000 -0.737) 0.854 5.776 ( 4.878 0.000 -0.225) 4.884 5.808 ( 1.988 0.000 -1.323) 2.388 5.923 ( 9.600 0.000 2.385) 9.892 5.967 ( -3.630 0.000 -0.764) 3.709 6.015 ( -0.576 0.000 5.750) 5.779 6.225 ( -0.446 0.000 -2.607) 2.645 6.231 ( -2.464 0.000 1.256) 2.765 6.285 ( -3.000 0.000 -2.789) 4.096 6.362 ( -4.097 0.000 4.065) 5.771 6.403 ( 1.954 0.000 -3.658) 4.147 6.527 ( 0.731 0.000 5.064) 5.117 6.595 ( 8.066 0.000 -2.638) 8.486 6.649 ( -0.086 0.000 -2.231) 2.233 6.719 ( 0.755 0.000 4.601) 4.663 6.727 ( 2.536 0.000 -0.337) 2.558 6.810 ( 3.703 0.000 2.437) 4.433 6.919 ( -4.130 0.000 0.891) 4.225 6.969 ( 2.751 0.000 -0.696) 2.838 7.072 ( -1.708 0.000 0.279) 1.731 7.083 ( -0.096 0.000 0.960) 0.964 7.318 ( 3.478 0.000 1.245) 3.694 7.374 ( 0.103 0.000 2.439) 2.442 7.455 ( -15.378 0.000 -2.970) 15.662 7.459 ( 3.728 0.000 1.219) 3.922 7.509 ( -2.947 0.000 -1.272) 3.210 7.559 ( 7.656 0.000 -2.625) 8.094 7.640 ( -1.831 0.000 1.512) 2.374 7.666 ( -4.032 0.000 1.375) 4.260 9.576 ( 0.295 0.000 0.966) 1.010 9.639 ( -0.237 0.000 -1.636) 1.653 9.840 ( -0.047 0.000 0.329) 0.332 9.846 ( 0.034 0.000 0.067) 0.075 10.331 ( -0.192 0.000 1.520) 1.532 10.404 ( 0.078 0.000 -1.415) 1.417 11.733 ( 4.286 0.000 3.245) 5.375 11.879 ( -26.124 0.000 -2.773) 26.270 12.552 ( -3.133 0.000 5.276) 6.136 12.727 ( 1.773 0.000 -2.641) 3.181 12.732 ( 0.698 0.000 1.010) 1.228 12.888 ( -0.727 0.000 -4.448) 4.507 12.979 ( -0.484 0.000 2.201) 2.253 13.047 ( 0.221 0.000 -0.616) 0.655 13.188 ( 32.721 0.000 0.532) 32.725 13.231 ( -5.470 0.000 -1.316) 5.626======================= Grid point 50 (18/60) =======================q-point: ( 0.14 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( 7.820 0.000 6.333) 10.062 1.076 ( 12.831 0.000 -2.190) 13.017 1.085 ( -1.904 0.000 33.013) 33.068 1.388 ( 23.773 0.000 9.779) 25.706 1.547 ( 12.295 0.000 -19.133) 22.743 1.845 ( -10.679 0.000 -11.221) 15.490 2.114 ( 12.302 0.000 11.697) 16.976 2.466 ( 7.191 0.000 -8.968) 11.495 2.494 ( 0.378 0.000 -0.251) 0.454 2.552 ( 3.130 0.000 -4.606) 5.569 2.634 ( 4.935 0.000 -5.997) 7.766 2.665 ( -8.349 0.000 -4.302) 9.392 2.787 ( -0.596 0.000 8.217) 8.238 2.930 ( 1.820 0.000 -7.390) 7.610 2.936 ( -5.781 0.000 8.923) 10.632 2.998 ( 0.224 0.000 -3.684) 3.690 3.058 ( -0.063 0.000 -1.833) 1.834 3.163 ( -3.410 0.000 3.655) 4.998 3.255 ( 4.336 0.000 -4.341) 6.135 3.333 ( 0.631 0.000 0.980) 1.166 3.476 ( -1.204 0.000 -2.138) 2.454 3.499 ( -6.535 0.000 5.825) 8.754 3.526 ( 3.607 0.000 -1.591) 3.943 3.562 ( -4.216 0.000 9.567) 10.455 3.568 ( 4.760 0.000 5.188) 7.041 3.651 ( -1.149 0.000 -8.632) 8.708 3.733 ( 3.793 0.000 -0.293) 3.805 3.781 ( 1.112 0.000 2.967) 3.168 3.848 ( -2.956 0.000 -0.841) 3.073 3.937 ( -1.476 0.000 -9.505) 9.619 3.949 ( -1.464 0.000 0.755) 1.647 4.008 ( -2.737 0.000 5.332) 5.993 4.073 ( 0.281 0.000 -2.843) 2.857 4.109 ( -3.527 0.000 0.246) 3.536 4.257 ( 4.412 0.000 -4.228) 6.111 4.279 ( -5.594 0.000 8.817) 10.442 4.407 ( 4.209 0.000 3.431) 5.430 4.428 ( -0.520 0.000 -2.897) 2.943 4.472 ( 1.186 0.000 -3.342) 3.547 4.515 ( 1.344 0.000 -2.235) 2.608 4.589 ( -3.294 0.000 1.963) 3.835 4.617 ( 1.930 0.000 0.357) 1.963 4.639 ( 0.306 0.000 3.836) 3.848 4.735 ( -5.182 0.000 4.515) 6.874 4.818 ( 6.234 0.000 0.777) 6.283 4.834 ( 3.863 0.000 7.483) 8.422 4.846 ( -4.496 0.000 -4.523) 6.377 4.938 ( -8.533 0.000 -0.460) 8.546 4.968 ( -2.155 0.000 -6.668) 7.007 5.048 ( -2.239 0.000 -3.737) 4.356 5.101 ( -0.368 0.000 0.692) 0.784 5.134 ( 3.532 0.000 -1.613) 3.883 5.153 ( 5.822 0.000 -1.794) 6.092 5.181 ( 3.139 0.000 -0.199) 3.145 5.242 ( -0.472 0.000 -5.430) 5.450 5.311 ( -3.353 0.000 -1.123) 3.536 5.322 ( 0.991 0.000 2.470) 2.661 5.382 ( 2.644 0.000 -6.560) 7.072 5.435 ( 2.452 0.000 4.281) 4.933 5.495 ( 1.845 0.000 -3.291) 3.773 5.533 ( 4.090 0.000 -0.607) 4.135 5.556 ( 3.011 0.000 6.366) 7.042 5.646 ( 0.647 0.000 1.274) 1.428 5.660 ( -8.234 0.000 5.198) 9.738 5.797 ( -1.980 0.000 -4.433) 4.855 5.835 ( 5.097 0.000 -2.911) 5.870 5.884 ( 1.218 0.000 -1.805) 2.178 6.010 ( -2.526 0.000 2.832) 3.795 6.113 ( 4.548 0.000 -1.205) 4.705 6.137 ( -2.899 0.000 -3.396) 4.465 6.240 ( -1.910 0.000 0.341) 1.941 6.309 ( 7.545 0.000 1.325) 7.661 6.341 ( -4.513 0.000 4.112) 6.106 6.409 ( 2.371 0.000 -3.497) 4.225 6.535 ( -3.337 0.000 1.108) 3.516 6.598 ( -3.231 0.000 -2.778) 4.260 6.649 ( -1.983 0.000 1.128) 2.281 6.681 ( 0.978 0.000 -4.802) 4.901 6.783 ( -5.260 0.000 3.892) 6.543 6.837 ( -3.155 0.000 -0.923) 3.288 6.838 ( 2.379 0.000 2.583) 3.512 7.014 ( 0.712 0.000 0.153) 0.728 7.044 ( -2.558 0.000 0.188) 2.565 7.075 ( 0.655 0.000 0.374) 0.755 7.185 ( -10.573 0.000 1.116) 10.632 7.367 ( -1.907 0.000 1.858) 2.662 7.371 ( -3.662 0.000 1.237) 3.865 7.451 ( 0.009 0.000 -1.270) 1.271 7.544 ( 2.713 0.000 -0.787) 2.825 7.617 ( -3.300 0.000 5.165) 6.129 7.621 ( -0.048 0.000 1.179) 1.180 7.690 ( 6.499 0.000 -3.056) 7.182 9.603 ( 0.953 0.000 1.654) 1.909 9.626 ( 0.882 0.000 -2.050) 2.232 9.845 ( 0.152 0.000 0.353) 0.385 9.853 ( 0.748 0.000 -0.126) 0.759 10.355 ( 0.647 0.000 1.757) 1.873 10.393 ( 0.650 0.000 -1.538) 1.669 11.629 ( -7.507 0.000 1.430) 7.642 11.859 ( 1.063 0.000 8.111) 8.181 12.533 ( -4.022 0.000 4.725) 6.205 12.672 ( -4.923 0.000 -4.385) 6.593 12.798 ( 3.258 0.000 4.116) 5.249 12.850 ( 2.111 0.000 -4.827) 5.268 12.991 ( -1.436 0.000 -0.667) 1.584 13.014 ( 1.817 0.000 1.209) 2.182 13.189 ( 4.482 0.000 -5.508) 7.101 13.489 ( 9.842 0.000 -6.223) 11.644======================= Grid point 51 (19/60) =======================q-point: ( 0.29 0.00 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.198 ( 17.595 0.000 -0.027) 17.595 1.358 ( -0.479 0.000 23.009) 23.014 1.502 ( 18.515 0.000 3.268) 18.801 1.578 ( 17.820 0.000 -15.545) 23.647 1.747 ( 4.503 0.000 9.488) 10.503 1.845 ( 15.191 0.000 1.329) 15.249 2.337 ( -7.348 0.000 -0.279) 7.353 2.393 ( -2.459 0.000 -4.772) 5.368 2.482 ( -0.261 0.000 -2.142) 2.158 2.493 ( -0.332 0.000 -3.173) 3.190 2.559 ( 2.320 0.000 -3.971) 4.599 2.691 ( 9.611 0.000 -17.234) 19.733 2.793 ( -0.115 0.000 0.982) 0.988 2.858 ( -1.659 0.000 -0.088) 1.661 2.932 ( 0.970 0.000 4.058) 4.172 3.029 ( 4.898 0.000 -14.277) 15.093 3.167 ( -3.561 0.000 6.327) 7.260 3.178 ( 3.821 0.000 12.740) 13.300 3.269 ( -0.983 0.000 -2.974) 3.132 3.306 ( -4.288 0.000 1.936) 4.705 3.330 ( -8.079 0.000 -3.253) 8.709 3.379 ( -9.136 0.000 0.889) 9.179 3.396 ( -3.938 0.000 -2.377) 4.600 3.575 ( 4.315 0.000 2.303) 4.891 3.647 ( 2.020 0.000 -4.023) 4.502 3.669 ( -3.123 0.000 -5.514) 6.337 3.755 ( 2.946 0.000 3.662) 4.700 3.827 ( 6.047 0.000 -1.011) 6.131 3.833 ( -2.835 0.000 3.687) 4.651 3.873 ( 3.404 0.000 -3.545) 4.915 4.019 ( 6.771 0.000 -0.465) 6.787 4.040 ( -4.613 0.000 7.987) 9.224 4.103 ( 3.292 0.000 5.337) 6.270 4.113 ( 4.745 0.000 1.225) 4.901 4.249 ( -1.351 0.000 3.321) 3.585 4.323 ( 2.608 0.000 0.152) 2.612 4.381 ( 0.441 0.000 -6.736) 6.751 4.449 ( -0.213 0.000 1.301) 1.319 4.485 ( -0.012 0.000 0.217) 0.218 4.508 ( -2.234 0.000 -0.787) 2.368 4.544 ( -5.310 0.000 2.253) 5.768 4.667 ( 0.730 0.000 -1.195) 1.401 4.701 ( -0.919 0.000 3.923) 4.029 4.703 ( -2.117 0.000 -6.768) 7.092 4.773 ( 3.025 0.000 2.964) 4.235 4.791 ( -4.244 0.000 -4.425) 6.131 4.842 ( -4.160 0.000 12.517) 13.190 4.977 ( 6.212 0.000 0.473) 6.230 4.981 ( 0.479 0.000 4.925) 4.949 5.023 ( 2.614 0.000 -2.818) 3.844 5.067 ( 0.471 0.000 -1.513) 1.585 5.176 ( 0.442 0.000 0.248) 0.507 5.187 ( 1.844 0.000 -3.468) 3.928 5.207 ( 2.119 0.000 0.180) 2.127 5.245 ( -3.133 0.000 -1.396) 3.430 5.277 ( 3.008 0.000 5.535) 6.300 5.339 ( -6.529 0.000 -1.686) 6.743 5.377 ( 3.989 0.000 -9.110) 9.945 5.421 ( -4.046 0.000 1.368) 4.271 5.491 ( 0.861 0.000 -2.062) 2.235 5.522 ( -2.257 0.000 -1.830) 2.906 5.571 ( -1.210 0.000 7.457) 7.555 5.607 ( -4.918 0.000 0.365) 4.932 5.683 ( 2.494 0.000 -0.626) 2.571 5.750 ( 1.958 0.000 -2.625) 3.275 5.869 ( -0.505 0.000 -0.359) 0.620 5.969 ( -6.323 0.000 5.120) 8.136 6.033 ( 9.794 0.000 4.319) 10.704 6.096 ( -1.018 0.000 2.985) 3.154 6.101 ( 4.818 0.000 -10.785) 11.812 6.225 ( 0.410 0.000 -0.941) 1.027 6.271 ( -7.080 0.000 3.215) 7.775 6.387 ( -0.243 0.000 -1.986) 2.001 6.420 ( 3.706 0.000 -0.131) 3.708 6.465 ( -6.001 0.000 -3.860) 7.135 6.526 ( 0.335 0.000 1.815) 1.846 6.609 ( -2.556 0.000 2.053) 3.278 6.692 ( 4.024 0.000 -4.187) 5.807 6.751 ( -0.588 0.000 -1.014) 1.172 6.778 ( -4.612 0.000 -6.337) 7.838 6.824 ( -2.245 0.000 5.557) 5.993 6.996 ( -2.495 0.000 0.595) 2.565 7.031 ( 1.933 0.000 -0.744) 2.071 7.082 ( -3.549 0.000 2.690) 4.453 7.141 ( 2.660 0.000 3.444) 4.352 7.287 ( -6.282 0.000 0.935) 6.351 7.314 ( -6.667 0.000 -0.374) 6.677 7.417 ( 0.302 0.000 -1.946) 1.970 7.578 ( -0.589 0.000 3.296) 3.348 7.613 ( -0.687 0.000 0.380) 0.786 7.633 ( -0.227 0.000 1.267) 1.287 7.740 ( 3.717 0.000 -4.633) 5.940 9.623 ( 1.037 0.000 -1.530) 1.849 9.636 ( 0.389 0.000 1.797) 1.838 9.853 ( 0.201 0.000 0.389) 0.438 9.867 ( 0.995 0.000 -0.405) 1.074 10.383 ( 0.455 0.000 1.225) 1.307 10.397 ( 1.352 0.000 -1.130) 1.762 11.533 ( -4.556 0.000 0.537) 4.587 11.868 ( -7.304 0.000 3.570) 8.130 12.522 ( -2.399 0.000 -5.506) 6.006 12.529 ( -2.079 0.000 4.207) 4.693 12.857 ( 2.294 0.000 -2.361) 3.292 12.886 ( 1.474 0.000 2.856) 3.214 13.040 ( 3.651 0.000 1.903) 4.118 13.064 ( 2.982 0.000 -0.184) 2.988 13.245 ( 6.711 0.000 -2.701) 7.234 13.546 ( 3.586 0.000 -3.542) 5.041======================= Grid point 52 (20/60) =======================q-point: ( 0.43 0.00 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.347 ( 2.333 0.000 -1.889) 3.002 1.501 ( -5.550 0.000 3.737) 6.691 1.768 ( 12.760 0.000 0.203) 12.762 1.827 ( 5.887 0.000 4.384) 7.340 2.025 ( 9.759 0.000 7.807) 12.497 2.084 ( 3.784 0.000 -5.158) 6.397 2.144 ( 4.051 0.000 2.655) 4.844 2.354 ( -4.512 0.000 0.938) 4.609 2.384 ( 1.528 0.000 2.587) 3.005 2.503 ( -4.877 0.000 -9.015) 10.249 2.543 ( 0.801 0.000 -2.310) 2.445 2.567 ( -0.902 0.000 -3.221) 3.345 2.788 ( 0.443 0.000 -3.400) 3.429 2.805 ( -4.937 0.000 -9.782) 10.957 2.955 ( -2.809 0.000 1.537) 3.202 3.023 ( 15.349 0.000 -6.364) 16.616 3.111 ( -3.479 0.000 -2.060) 4.043 3.197 ( -6.117 0.000 1.647) 6.335 3.219 ( 1.371 0.000 1.345) 1.921 3.271 ( -1.597 0.000 -0.764) 1.770 3.337 ( 2.502 0.000 -0.924) 2.668 3.361 ( 1.749 0.000 5.173) 5.461 3.379 ( 5.710 0.000 1.664) 5.947 3.568 ( -2.298 0.000 -2.431) 3.345 3.593 ( -0.287 0.000 -1.809) 1.832 3.721 ( -0.182 0.000 3.307) 3.312 3.776 ( -2.426 0.000 0.531) 2.484 3.834 ( -1.818 0.000 2.687) 3.244 3.840 ( -0.514 0.000 -5.164) 5.189 3.974 ( 7.160 0.000 -6.768) 9.853 4.048 ( -2.677 0.000 6.932) 7.431 4.105 ( 4.696 0.000 -4.258) 6.339 4.170 ( -7.173 0.000 -2.192) 7.500 4.230 ( 5.983 0.000 0.067) 5.984 4.283 ( -2.484 0.000 -0.230) 2.495 4.332 ( 5.011 0.000 4.254) 6.573 4.358 ( 1.625 0.000 3.733) 4.071 4.396 ( -7.196 0.000 0.416) 7.208 4.453 ( -0.338 0.000 -0.372) 0.503 4.477 ( -3.907 0.000 6.822) 7.862 4.512 ( 2.160 0.000 0.620) 2.248 4.620 ( -0.283 0.000 -6.357) 6.363 4.645 ( -0.870 0.000 3.041) 3.164 4.690 ( -1.888 0.000 0.264) 1.906 4.802 ( 6.711 0.000 -4.533) 8.098 4.829 ( -2.328 0.000 -0.172) 2.334 4.877 ( -1.099 0.000 0.785) 1.350 4.955 ( -4.113 0.000 8.109) 9.092 5.024 ( 3.103 0.000 -7.058) 7.710 5.058 ( 0.827 0.000 4.295) 4.374 5.090 ( -6.266 0.000 -3.656) 7.255 5.136 ( -3.483 0.000 -4.381) 5.597 5.184 ( -2.697 0.000 7.908) 8.355 5.197 ( 4.485 0.000 3.961) 5.984 5.205 ( 2.732 0.000 0.205) 2.740 5.313 ( 2.810 0.000 3.812) 4.735 5.313 ( -0.833 0.000 0.043) 0.834 5.410 ( 3.785 0.000 2.467) 4.518 5.448 ( -2.398 0.000 -1.032) 2.611 5.463 ( -1.675 0.000 0.886) 1.895 5.507 ( -0.936 0.000 2.456) 2.628 5.550 ( 5.782 0.000 -0.424) 5.797 5.607 ( -4.177 0.000 6.351) 7.602 5.724 ( 3.875 0.000 -2.398) 4.557 5.759 ( 1.862 0.000 -2.390) 3.030 5.810 ( -5.148 0.000 0.236) 5.154 5.930 ( -3.961 0.000 4.443) 5.953 6.064 ( 1.547 0.000 -9.471) 9.597 6.112 ( -2.488 0.000 -2.621) 3.614 6.130 ( 0.490 0.000 -1.884) 1.946 6.202 ( -2.412 0.000 -0.538) 2.471 6.230 ( 1.621 0.000 0.816) 1.815 6.374 ( 0.994 0.000 2.085) 2.310 6.458 ( 1.237 0.000 -1.318) 1.808 6.488 ( 7.423 0.000 3.326) 8.135 6.513 ( -1.234 0.000 0.434) 1.308 6.587 ( -4.644 0.000 -3.414) 5.764 6.599 ( -0.856 0.000 -1.050) 1.355 6.747 ( -0.355 0.000 0.687) 0.773 6.747 ( 5.266 0.000 -6.369) 8.264 6.799 ( -5.291 0.000 1.228) 5.431 7.006 ( 0.279 0.000 4.126) 4.136 7.050 ( 2.476 0.000 -3.871) 4.595 7.102 ( -0.038 0.000 6.521) 6.521 7.137 ( -6.780 0.000 -2.012) 7.073 7.190 ( -4.849 0.000 1.772) 5.162 7.220 ( 0.633 0.000 2.658) 2.732 7.422 ( 0.858 0.000 -1.192) 1.468 7.520 ( -2.466 0.000 -4.018) 4.715 7.625 ( -1.044 0.000 -1.378) 1.729 7.657 ( 0.199 0.000 3.779) 3.784 7.754 ( 3.368 0.000 -3.202) 4.647 9.638 ( 1.412 0.000 0.186) 1.424 9.651 ( -0.720 0.000 1.241) 1.435 9.858 ( -0.169 0.000 0.347) 0.386 9.878 ( 0.632 0.000 -0.488) 0.798 10.394 ( -0.337 0.000 0.429) 0.546 10.410 ( 1.068 0.000 -0.865) 1.375 11.491 ( -1.481 0.000 2.512) 2.916 11.747 ( -4.569 0.000 -2.680) 5.297 12.490 ( 2.232 0.000 -1.271) 2.568 12.524 ( -2.531 0.000 1.814) 3.114 12.873 ( 1.496 0.000 -0.748) 1.672 12.908 ( -0.753 0.000 0.311) 0.815 13.088 ( 0.550 0.000 -0.297) 0.625 13.104 ( 1.536 0.000 -0.749) 1.709 13.356 ( 3.605 0.000 3.595) 5.092 13.562 ( 1.979 0.000 -2.479) 3.172======================= Grid point 53 (21/60) =======================q-point: (-0.43 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.241 ( -18.563 0.000 -0.603) 18.572 1.364 ( -1.021 0.000 2.411) 2.618 1.775 ( -14.190 0.000 0.888) 14.217 1.953 ( -6.704 0.000 -3.298) 7.471 1.955 ( -13.301 0.000 5.423) 14.364 2.042 ( 8.358 0.000 9.125) 12.374 2.345 ( 3.198 0.000 3.379) 4.652 2.373 ( -4.097 0.000 -6.605) 7.773 2.464 ( 9.931 0.000 0.551) 9.946 2.490 ( 1.602 0.000 -5.607) 5.832 2.491 ( 12.147 0.000 -5.383) 13.286 2.615 ( 3.823 0.000 1.816) 4.232 2.679 ( 1.926 0.000 -7.050) 7.308 2.725 ( -3.488 0.000 0.039) 3.488 2.917 ( -22.100 0.000 -9.711) 24.140 2.995 ( 5.038 0.000 1.628) 5.294 3.045 ( -0.929 0.000 -1.109) 1.447 3.187 ( -6.647 0.000 1.336) 6.780 3.258 ( 2.970 0.000 -1.990) 3.575 3.284 ( 12.977 0.000 -2.981) 13.315 3.412 ( -2.065 0.000 2.981) 3.627 3.449 ( -0.462 0.000 5.050) 5.071 3.449 ( 3.455 0.000 4.183) 5.425 3.509 ( -2.156 0.000 -4.970) 5.418 3.642 ( 8.958 0.000 1.489) 9.081 3.721 ( -2.223 0.000 0.777) 2.355 3.730 ( -0.006 0.000 -8.061) 8.061 3.781 ( -3.101 0.000 -1.958) 3.667 3.789 ( 0.482 0.000 0.339) 0.589 3.898 ( -3.499 0.000 1.041) 3.651 4.030 ( -1.525 0.000 -2.540) 2.962 4.130 ( 2.986 0.000 -2.723) 4.041 4.136 ( 8.043 0.000 0.755) 8.078 4.246 ( -3.853 0.000 2.928) 4.839 4.279 ( 2.023 0.000 -2.077) 2.900 4.307 ( -6.891 0.000 5.003) 8.516 4.391 ( -4.265 0.000 0.790) 4.337 4.401 ( -3.707 0.000 3.720) 5.252 4.468 ( 1.698 0.000 3.222) 3.642 4.506 ( 4.784 0.000 1.669) 5.067 4.556 ( -1.987 0.000 -2.567) 3.247 4.587 ( -1.662 0.000 1.504) 2.241 4.661 ( 0.328 0.000 -1.564) 1.598 4.719 ( 7.931 0.000 3.092) 8.513 4.727 ( -3.435 0.000 -4.729) 5.845 4.802 ( -7.499 0.000 0.813) 7.543 4.859 ( 2.882 0.000 -2.031) 3.526 4.980 ( -3.234 0.000 6.711) 7.449 4.988 ( 2.285 0.000 -6.585) 6.970 5.015 ( -2.158 0.000 2.298) 3.153 5.062 ( -0.570 0.000 -4.369) 4.406 5.126 ( -0.430 0.000 7.157) 7.170 5.209 ( 0.631 0.000 2.868) 2.937 5.258 ( -0.076 0.000 0.427) 0.434 5.328 ( 0.623 0.000 -0.362) 0.720 5.349 ( 2.217 0.000 0.657) 2.312 5.359 ( 3.474 0.000 0.936) 3.598 5.416 ( -1.011 0.000 5.757) 5.845 5.442 ( -1.347 0.000 1.779) 2.232 5.499 ( -6.911 0.000 2.066) 7.213 5.529 ( 4.352 0.000 3.083) 5.333 5.600 ( -2.057 0.000 3.593) 4.140 5.690 ( 2.512 0.000 0.729) 2.616 5.716 ( -0.696 0.000 -3.386) 3.457 5.758 ( -0.863 0.000 -2.040) 2.215 5.764 ( 7.980 0.000 -0.563) 8.000 5.896 ( -2.307 0.000 2.313) 3.267 5.944 ( -3.173 0.000 -7.785) 8.407 6.059 ( 5.399 0.000 -1.777) 5.684 6.072 ( -0.628 0.000 -2.069) 2.162 6.281 ( 5.316 0.000 -5.263) 7.481 6.289 ( 8.435 0.000 2.148) 8.704 6.403 ( -4.544 0.000 1.560) 4.804 6.422 ( -5.623 0.000 2.823) 6.292 6.489 ( 1.764 0.000 3.025) 3.502 6.512 ( -6.506 0.000 -0.444) 6.521 6.536 ( 2.615 0.000 -2.094) 3.350 6.661 ( -6.865 0.000 -4.433) 8.171 6.677 ( 3.220 0.000 -2.380) 4.004 6.783 ( 1.190 0.000 4.959) 5.100 6.805 ( 8.434 0.000 -1.257) 8.527 6.943 ( -4.105 0.000 -7.929) 8.928 7.051 ( -0.503 0.000 4.406) 4.435 7.118 ( 1.314 0.000 -0.345) 1.358 7.133 ( -1.961 0.000 5.157) 5.517 7.242 ( 3.984 0.000 4.941) 6.347 7.255 ( 2.344 0.000 0.391) 2.376 7.398 ( 0.120 0.000 -7.084) 7.085 7.469 ( 0.047 0.000 2.349) 2.350 7.574 ( -0.823 0.000 -3.752) 3.841 7.667 ( -2.716 0.000 2.163) 3.472 7.787 ( 2.511 0.000 -1.889) 3.142 9.637 ( -1.767 0.000 0.490) 1.834 9.669 ( 0.980 0.000 0.940) 1.358 9.854 ( -0.608 0.000 0.312) 0.683 9.878 ( -0.017 0.000 -0.449) 0.450 10.382 ( -1.234 0.000 0.096) 1.238 10.415 ( 0.331 0.000 -0.540) 0.633 11.540 ( 2.197 0.000 5.044) 5.502 11.670 ( 0.610 0.000 -5.257) 5.292 12.475 ( -3.270 0.000 -0.400) 3.294 12.554 ( 4.511 0.000 0.951) 4.610 12.873 ( -2.586 0.000 -0.939) 2.752 12.896 ( 1.081 0.000 0.459) 1.174 13.070 ( -1.996 0.000 0.166) 2.003 13.096 ( -1.332 0.000 -0.868) 1.590 13.420 ( -1.385 0.000 4.336) 4.551 13.562 ( 1.304 0.000 -3.452) 3.690======================= Grid point 54 (22/60) =======================q-point: (-0.29 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.945 ( -20.599 0.000 12.137) 23.909 1.174 ( -26.663 0.000 2.592) 26.789 1.527 ( -6.524 0.000 7.847) 10.205 1.740 ( -17.199 0.000 -0.836) 17.219 1.965 ( -31.485 0.000 -15.797) 35.226 2.068 ( 8.203 0.000 14.654) 16.794 2.245 ( -4.783 0.000 13.943) 14.741 2.248 ( 0.920 0.000 -12.841) 12.874 2.428 ( 3.212 0.000 -15.308) 15.641 2.493 ( 3.308 0.000 -0.252) 3.318 2.517 ( 1.191 0.000 -5.979) 6.096 2.648 ( 0.415 0.000 0.486) 0.639 2.668 ( -0.950 0.000 -1.788) 2.024 2.753 ( 11.087 0.000 -9.237) 14.431 2.763 ( 0.910 0.000 8.007) 8.059 3.072 ( 3.786 0.000 0.646) 3.840 3.142 ( 0.279 0.000 1.331) 1.360 3.154 ( 9.225 0.000 0.452) 9.236 3.236 ( 0.261 0.000 -5.535) 5.542 3.374 ( -2.490 0.000 -1.394) 2.854 3.401 ( -3.507 0.000 5.892) 6.857 3.426 ( 0.786 0.000 1.379) 1.587 3.446 ( 0.351 0.000 -4.832) 4.844 3.494 ( -4.307 0.000 2.379) 4.920 3.589 ( 1.097 0.000 -7.209) 7.292 3.731 ( 0.154 0.000 -1.073) 1.084 3.751 ( 2.931 0.000 1.801) 3.440 3.779 ( -6.876 0.000 0.114) 6.877 3.873 ( 8.975 0.000 4.254) 9.932 3.922 ( 1.033 0.000 1.509) 1.829 3.997 ( 0.417 0.000 -0.142) 0.441 4.109 ( -7.416 0.000 1.578) 7.582 4.176 ( -5.561 0.000 0.012) 5.561 4.185 ( -5.169 0.000 -0.680) 5.214 4.293 ( 4.036 0.000 -0.694) 4.095 4.308 ( -4.238 0.000 1.799) 4.604 4.380 ( 5.361 0.000 -0.921) 5.439 4.436 ( 5.015 0.000 0.241) 5.021 4.500 ( -3.535 0.000 -0.642) 3.593 4.509 ( 0.151 0.000 -1.697) 1.703 4.534 ( 3.653 0.000 9.195) 9.894 4.586 ( 1.502 0.000 1.491) 2.117 4.614 ( -3.453 0.000 -2.666) 4.363 4.710 ( 0.078 0.000 5.771) 5.772 4.758 ( -2.476 0.000 2.668) 3.640 4.803 ( -2.047 0.000 -1.514) 2.546 4.896 ( 5.309 0.000 -5.562) 7.689 4.982 ( -0.414 0.000 2.848) 2.878 4.992 ( 1.465 0.000 -3.474) 3.770 5.007 ( -1.428 0.000 2.700) 3.054 5.046 ( 4.133 0.000 4.878) 6.394 5.230 ( -3.962 0.000 -5.211) 6.546 5.232 ( 0.990 0.000 0.889) 1.331 5.265 ( 3.732 0.000 3.496) 5.114 5.273 ( 0.515 0.000 -3.716) 3.751 5.336 ( -2.085 0.000 2.856) 3.536 5.392 ( 0.602 0.000 -0.831) 1.026 5.400 ( -4.776 0.000 2.621) 5.448 5.448 ( 1.142 0.000 -0.962) 1.493 5.477 ( -2.464 0.000 1.588) 2.931 5.536 ( -2.306 0.000 3.520) 4.208 5.554 ( -0.535 0.000 -1.426) 1.523 5.610 ( -5.045 0.000 0.373) 5.059 5.671 ( 1.884 0.000 -8.332) 8.543 5.755 ( 3.694 0.000 -0.846) 3.789 5.833 ( 1.483 0.000 -9.300) 9.418 5.925 ( 3.080 0.000 -0.216) 3.088 6.075 ( 7.652 0.000 7.761) 10.899 6.119 ( 4.468 0.000 1.935) 4.869 6.200 ( 4.186 0.000 3.626) 5.538 6.234 ( -7.895 0.000 -1.803) 8.098 6.298 ( -5.586 0.000 -3.175) 6.425 6.340 ( -2.697 0.000 2.664) 3.791 6.434 ( 2.474 0.000 -0.260) 2.488 6.475 ( 6.704 0.000 -0.861) 6.759 6.493 ( -2.588 0.000 -2.013) 3.278 6.555 ( 3.380 0.000 0.735) 3.459 6.614 ( 3.780 0.000 0.151) 3.783 6.660 ( 1.327 0.000 -4.258) 4.460 6.775 ( -5.727 0.000 -5.019) 7.615 6.870 ( 0.814 0.000 6.434) 6.485 6.933 ( 4.747 0.000 -0.953) 4.842 7.089 ( -1.577 0.000 -2.667) 3.098 7.108 ( 0.733 0.000 6.372) 6.414 7.185 ( 1.476 0.000 5.176) 5.383 7.312 ( 1.259 0.000 -3.605) 3.818 7.345 ( 5.018 0.000 -4.312) 6.617 7.345 ( 1.802 0.000 3.431) 3.875 7.525 ( 0.238 0.000 4.619) 4.625 7.535 ( 1.066 0.000 -2.994) 3.178 7.627 ( -2.442 0.000 1.380) 2.805 7.777 ( -0.810 0.000 -3.739) 3.826 9.604 ( -1.942 0.000 0.028) 1.942 9.683 ( -0.296 0.000 0.315) 0.432 9.845 ( -0.646 0.000 0.334) 0.727 9.868 ( -0.621 0.000 -0.346) 0.711 10.355 ( -1.756 0.000 0.324) 1.786 10.414 ( 0.176 0.000 -0.235) 0.293 11.645 ( 2.747 0.000 -5.300) 5.969 11.668 ( 3.555 0.000 9.369) 10.021 12.426 ( -0.835 0.000 -0.635) 1.049 12.647 ( 4.724 0.000 -0.496) 4.750 12.798 ( -4.539 0.000 -0.652) 4.585 12.929 ( 1.994 0.000 1.281) 2.370 13.028 ( -3.253 0.000 0.813) 3.353 13.045 ( -3.325 0.000 -0.250) 3.335 13.409 ( -4.484 0.000 3.817) 5.889 13.516 ( 0.186 0.000 -9.368) 9.370======================= Grid point 55 (23/60) =======================q-point: (-0.14 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( -31.924 0.000 4.245) 32.205 0.683 ( -30.911 0.000 12.515) 33.348 1.062 ( -44.886 0.000 25.715) 51.730 1.599 ( -2.384 0.000 6.785) 7.192 1.617 ( -1.489 0.000 -10.133) 10.242 2.097 ( 2.897 0.000 -14.074) 14.369 2.155 ( -6.480 0.000 -20.712) 21.702 2.391 ( 1.310 0.000 8.158) 8.262 2.391 ( 11.558 0.000 6.835) 13.428 2.481 ( -0.350 0.000 -3.510) 3.527 2.529 ( 1.028 0.000 2.788) 2.971 2.672 ( 1.341 0.000 -8.275) 8.383 2.718 ( 2.177 0.000 8.190) 8.475 2.815 ( 8.143 0.000 -4.260) 9.190 2.900 ( 5.198 0.000 11.683) 12.787 3.096 ( -3.841 0.000 -3.076) 4.921 3.132 ( 3.436 0.000 -4.043) 5.306 3.238 ( 0.829 0.000 3.694) 3.786 3.262 ( 2.168 0.000 -0.779) 2.304 3.266 ( -4.865 0.000 2.051) 5.280 3.402 ( -2.786 0.000 6.916) 7.456 3.437 ( -6.143 0.000 0.685) 6.181 3.454 ( -1.326 0.000 1.877) 2.298 3.479 ( 3.187 0.000 0.198) 3.193 3.615 ( 2.218 0.000 -5.600) 6.024 3.663 ( 0.477 0.000 5.294) 5.316 3.718 ( 1.708 0.000 -3.422) 3.825 3.803 ( 2.719 0.000 -5.421) 6.065 3.887 ( -2.331 0.000 -0.562) 2.398 3.897 ( -4.927 0.000 -2.436) 5.496 4.024 ( 0.886 0.000 0.472) 1.004 4.085 ( -0.571 0.000 0.551) 0.793 4.093 ( -2.577 0.000 5.195) 5.799 4.118 ( 1.296 0.000 -2.031) 2.410 4.221 ( -2.685 0.000 -2.010) 3.354 4.327 ( 0.023 0.000 1.242) 1.243 4.379 ( -6.427 0.000 -2.515) 6.901 4.452 ( -1.775 0.000 -0.723) 1.916 4.489 ( 6.514 0.000 -1.099) 6.606 4.561 ( 0.452 0.000 -1.875) 1.929 4.590 ( 4.477 0.000 1.022) 4.592 4.628 ( -2.015 0.000 7.037) 7.320 4.694 ( -4.175 0.000 4.533) 6.163 4.710 ( -2.110 0.000 -1.886) 2.830 4.794 ( 6.405 0.000 7.757) 10.059 4.802 ( -0.018 0.000 7.347) 7.347 4.873 ( -0.154 0.000 -9.572) 9.573 4.979 ( -1.703 0.000 -0.997) 1.973 5.013 ( 4.467 0.000 -2.274) 5.012 5.020 ( 1.808 0.000 0.122) 1.812 5.121 ( -1.164 0.000 -2.180) 2.471 5.169 ( -4.098 0.000 -2.795) 4.961 5.169 ( -2.872 0.000 -5.874) 6.538 5.239 ( 4.748 0.000 1.134) 4.882 5.274 ( 0.448 0.000 -10.082) 10.092 5.335 ( -4.749 0.000 1.769) 5.068 5.380 ( 1.734 0.000 -3.718) 4.103 5.396 ( -5.391 0.000 3.226) 6.283 5.437 ( 2.580 0.000 -6.770) 7.245 5.447 ( 1.901 0.000 6.730) 6.993 5.541 ( -3.034 0.000 -0.094) 3.036 5.620 ( 1.876 0.000 2.106) 2.821 5.624 ( 6.113 0.000 0.287) 6.120 5.631 ( 3.047 0.000 1.008) 3.209 5.754 ( 0.849 0.000 -3.810) 3.903 5.806 ( 1.555 0.000 -0.895) 1.794 5.916 ( -13.762 0.000 -5.847) 14.953 5.983 ( 1.497 0.000 0.933) 1.764 6.086 ( -8.286 0.000 0.571) 8.306 6.211 ( 3.226 0.000 0.007) 3.226 6.258 ( -2.267 0.000 8.610) 8.903 6.344 ( -0.805 0.000 1.568) 1.762 6.366 ( 7.936 0.000 0.179) 7.938 6.443 ( -0.487 0.000 -7.658) 7.673 6.466 ( 0.721 0.000 -2.910) 2.998 6.517 ( 2.797 0.000 -3.253) 4.291 6.639 ( 0.512 0.000 2.857) 2.902 6.658 ( 1.749 0.000 -1.855) 2.550 6.680 ( 1.507 0.000 4.766) 4.999 6.702 ( 1.859 0.000 -0.418) 1.906 6.929 ( -0.272 0.000 3.063) 3.075 6.953 ( 1.026 0.000 -2.194) 2.422 7.063 ( 0.782 0.000 -0.363) 0.863 7.128 ( -3.796 0.000 1.626) 4.130 7.283 ( 2.237 0.000 -4.548) 5.068 7.344 ( 2.733 0.000 3.573) 4.498 7.401 ( 2.881 0.000 -0.695) 2.964 7.417 ( 6.093 0.000 6.027) 8.570 7.546 ( -1.844 0.000 2.563) 3.157 7.585 ( 4.846 0.000 5.725) 7.501 7.635 ( 0.190 0.000 1.812) 1.822 7.676 ( -3.817 0.000 -6.511) 7.547 9.576 ( -1.043 0.000 0.289) 1.083 9.666 ( -1.108 0.000 -0.701) 1.311 9.840 ( -0.313 0.000 0.333) 0.457 9.852 ( -0.664 0.000 -0.143) 0.679 10.333 ( -1.314 0.000 0.921) 1.604 10.414 ( 0.139 0.000 -0.640) 0.655 11.658 ( 3.329 0.000 -1.992) 3.879 11.963 ( 15.397 0.000 22.728) 27.453 12.436 ( 2.224 0.000 -0.195) 2.232 12.692 ( -7.558 0.000 0.108) 7.559 12.704 ( 3.595 0.000 -2.616) 4.446 12.958 ( -1.886 0.000 -2.574) 3.190 12.989 ( -2.856 0.000 1.133) 3.073 13.003 ( 2.131 0.000 1.953) 2.890 13.258 ( -13.260 0.000 -25.234) 28.506 13.344 ( -6.656 0.000 2.708) 7.186======================= Grid point 56 (24/60) =======================q-point: ( 0.00 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.658 ( -3.651 18.438 13.531) 23.160 0.853 ( 9.116 22.787 16.361) 29.496 1.318 ( -7.217 11.035 7.933) 15.388 1.391 ( -9.367 17.517 7.523) 21.241 1.617 ( 6.251 4.731 -3.442) 8.562 1.911 ( 0.518 1.744 -7.373) 7.594 2.260 ( -7.133 5.101 -8.625) 12.300 2.385 ( 7.731 2.149 -6.011) 10.026 2.468 ( 5.150 1.722 -2.322) 5.906 2.516 ( -1.458 -3.383 -5.344) 6.490 2.632 ( 4.823 1.625 -2.524) 5.681 2.683 ( 1.232 4.683 5.385) 7.242 2.833 ( 1.708 -1.190 1.735) 2.710 2.846 ( -2.239 -6.093 3.715) 7.480 2.995 ( 4.866 -0.591 0.219) 4.907 3.010 ( -3.086 -4.635 -1.124) 5.681 3.067 ( -0.055 -4.280 -2.880) 5.159 3.173 ( -1.322 -6.035 1.247) 6.302 3.231 ( -0.589 -0.932 0.620) 1.265 3.261 ( -4.999 1.201 -3.054) 5.980 3.377 ( 3.092 -2.738 1.565) 4.417 3.426 ( 1.781 -1.063 -0.683) 2.184 3.444 ( -3.307 -1.698 4.327) 5.705 3.544 ( -1.609 3.072 4.132) 5.394 3.570 ( 1.244 -5.335 1.889) 5.794 3.644 ( 3.840 -2.541 1.243) 4.769 3.693 ( -0.265 -3.063 5.410) 6.223 3.760 ( -4.263 -6.102 -5.187) 9.073 3.808 ( -0.278 -1.019 -2.512) 2.725 3.873 ( 0.305 -3.821 0.934) 3.945 3.930 ( 5.297 -7.502 0.115) 9.184 4.039 ( -1.529 -3.097 -3.925) 5.228 4.077 ( -2.824 -2.437 -0.745) 3.804 4.120 ( 0.174 1.819 -1.587) 2.420 4.240 ( -2.252 -1.344 2.185) 3.414 4.279 ( -0.762 0.274 -1.931) 2.094 4.351 ( 2.576 0.407 4.306) 5.034 4.405 ( 0.268 -2.973 1.086) 3.176 4.485 ( 1.119 -1.380 -0.198) 1.788 4.540 ( 1.010 -4.837 -5.619) 7.483 4.568 ( 0.284 3.365 -0.312) 3.391 4.612 ( 3.494 0.935 -3.168) 4.809 4.697 ( -3.947 -3.038 0.972) 5.075 4.767 ( -6.802 1.321 -5.668) 8.952 4.781 ( -0.909 2.492 0.495) 2.698 4.849 ( -1.466 8.290 6.893) 10.881 4.914 ( 3.273 -2.234 3.600) 5.354 4.965 ( 0.063 -1.337 4.296) 4.500 5.008 ( -0.304 -1.567 -1.338) 2.083 5.037 ( -1.693 -2.800 -3.898) 5.089 5.068 ( 1.832 -1.200 -1.802) 2.836 5.120 ( 0.827 -0.591 0.264) 1.050 5.148 ( -0.170 2.587 1.705) 3.103 5.186 ( 1.086 3.384 -3.273) 4.832 5.247 ( -2.679 -0.500 -2.032) 3.399 5.346 ( 1.575 -1.547 1.764) 2.825 5.364 ( 1.665 1.974 -2.775) 3.791 5.410 ( -1.605 1.155 -2.852) 3.470 5.457 ( -3.175 -1.304 -1.674) 3.818 5.472 ( 2.600 5.344 -2.093) 6.300 5.511 ( 5.926 5.609 -2.401) 8.505 5.596 ( 0.983 -1.637 -1.230) 2.271 5.647 ( -0.257 -1.909 0.030) 1.926 5.685 ( -2.757 0.138 -0.314) 2.779 5.747 ( -2.837 3.067 1.908) 4.593 5.845 ( 0.617 0.538 -3.062) 3.170 5.919 ( 9.780 1.184 1.457) 9.959 5.972 ( -3.884 0.862 2.495) 4.696 6.039 ( -1.888 0.465 4.294) 4.714 6.216 ( 0.572 -1.585 -0.445) 1.742 6.243 ( -0.376 0.270 0.068) 0.468 6.280 ( -2.983 -0.078 0.968) 3.137 6.381 ( -0.536 0.483 -6.133) 6.175 6.423 ( -0.803 0.913 0.711) 1.408 6.544 ( 2.367 -3.139 3.499) 5.263 6.583 ( 0.481 4.660 3.509) 5.853 6.628 ( 0.095 -0.668 -1.731) 1.858 6.697 ( -0.943 -0.038 2.624) 2.788 6.727 ( 2.614 0.361 2.429) 3.586 6.844 ( -0.506 0.304 1.895) 1.984 6.867 ( -3.160 -3.694 0.742) 4.917 7.013 ( 2.954 -0.267 1.137) 3.176 7.097 ( -1.315 1.941 -0.685) 2.443 7.116 ( 1.431 3.247 -2.857) 4.556 7.250 ( 1.315 -3.749 2.012) 4.453 7.345 ( -2.995 -2.985 0.523) 4.260 7.396 ( -0.138 -2.741 0.738) 2.842 7.438 ( 0.991 -0.512 -1.481) 1.854 7.536 ( -0.274 0.908 1.791) 2.027 7.584 ( 0.547 4.105 -0.950) 4.248 7.651 ( -1.127 1.587 0.972) 2.175 7.732 ( -0.938 1.697 -5.570) 5.898 9.596 ( 0.191 1.934 0.778) 2.093 9.641 ( -0.269 0.230 -1.072) 1.128 9.848 ( -0.461 0.694 0.353) 0.905 9.860 ( 0.393 1.143 -0.146) 1.217 10.306 ( 0.009 -2.327 1.292) 2.662 10.371 ( 0.012 -3.177 -1.273) 3.422 11.764 ( 0.894 5.224 5.252) 7.461 12.032 ( -14.404 9.107 -10.706) 20.126 12.550 ( -2.479 0.136 4.742) 5.352 12.707 ( 3.754 -1.041 -1.169) 4.068 12.780 ( -0.018 3.222 -0.837) 3.329 12.841 ( 6.336 -6.138 2.762) 9.244 12.929 ( 2.319 -5.227 3.411) 6.658 12.974 ( 4.227 -0.667 1.598) 4.568 13.113 ( 5.496 -2.114 3.580) 6.892 13.210 ( -4.486 -1.940 -1.610) 5.146======================= Grid point 57 (25/60) =======================q-point: ( 0.14 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.919 ( 8.267 4.022 12.430) 15.460 1.152 ( 11.807 8.931 -3.114) 15.128 1.310 ( 7.367 15.657 17.983) 24.956 1.503 ( 12.159 4.322 -15.950) 20.516 1.680 ( 2.424 13.538 6.381) 15.162 1.935 ( -6.362 8.547 -9.663) 14.384 2.157 ( 15.556 5.850 13.066) 21.141 2.441 ( 1.937 -2.075 -4.244) 5.106 2.493 ( 2.164 -3.111 -2.455) 4.515 2.514 ( -1.748 0.651 -2.420) 3.055 2.672 ( 10.731 5.220 -11.029) 16.249 2.738 ( -2.390 3.093 -2.476) 4.627 2.785 ( -3.109 -0.366 7.360) 7.998 2.888 ( -5.130 -3.697 0.770) 6.369 2.907 ( -4.752 -2.884 3.043) 6.337 2.982 ( 5.914 1.953 -2.737) 6.803 3.065 ( -0.145 -2.942 -2.179) 3.664 3.175 ( 0.174 -0.674 2.173) 2.281 3.220 ( 1.208 -1.821 -3.169) 3.849 3.291 ( 4.264 -7.119 2.780) 8.751 3.384 ( -3.046 -2.525 -0.756) 4.028 3.437 ( 0.026 -4.676 -2.971) 5.540 3.503 ( -0.374 -1.687 3.035) 3.493 3.517 ( -1.386 -1.501 7.376) 7.653 3.597 ( -5.643 -5.646 -3.313) 8.643 3.660 ( 1.960 -3.224 3.212) 4.955 3.696 ( -4.945 -0.290 -3.163) 5.877 3.745 ( 0.239 -1.633 2.281) 2.816 3.778 ( 7.848 -0.418 1.295) 7.965 3.861 ( -4.147 -8.547 -0.862) 9.539 3.963 ( 2.837 2.322 -4.983) 6.186 4.009 ( -1.778 -2.327 0.341) 2.948 4.041 ( 3.775 -5.680 0.861) 6.874 4.094 ( -5.117 1.055 1.624) 5.471 4.219 ( -1.423 -2.906 2.459) 4.064 4.260 ( -1.136 0.986 -1.917) 2.436 4.401 ( -2.384 -2.192 -3.796) 4.990 4.435 ( 1.976 -6.146 2.450) 6.905 4.485 ( 3.449 0.960 1.243) 3.789 4.534 ( -3.039 1.733 -7.075) 7.893 4.590 ( 3.587 6.133 -3.652) 7.989 4.607 ( 3.816 -2.351 3.254) 5.539 4.637 ( -1.432 -2.338 0.880) 2.879 4.724 ( 1.177 2.119 6.233) 6.688 4.812 ( -0.820 0.648 1.560) 1.878 4.858 ( -0.870 2.828 1.566) 3.347 4.929 ( -2.021 0.865 -0.806) 2.341 4.940 ( -3.055 2.169 -1.985) 4.240 4.991 ( -4.544 -0.641 -0.544) 4.621 5.021 ( -0.596 0.250 -2.520) 2.601 5.069 ( 2.467 -3.585 2.746) 5.146 5.095 ( 2.637 -3.682 -2.229) 5.048 5.133 ( -1.348 -0.655 0.268) 1.523 5.168 ( 2.908 2.468 1.251) 4.014 5.273 ( -1.002 0.148 0.046) 1.014 5.300 ( -1.957 1.339 -4.322) 4.930 5.374 ( 2.142 -0.972 -0.316) 2.373 5.401 ( 0.461 3.910 0.084) 3.938 5.442 ( 1.640 -2.008 0.986) 2.774 5.466 ( 0.145 3.233 -3.902) 5.070 5.579 ( 0.137 2.159 -0.394) 2.199 5.607 ( 1.954 0.229 -2.071) 2.857 5.627 ( 0.866 -0.358 -0.335) 0.995 5.707 ( -1.095 6.334 5.146) 8.234 5.766 ( 4.455 -3.416 -3.810) 6.785 5.812 ( -0.148 1.812 -0.812) 1.991 5.929 ( 1.439 0.815 -0.251) 1.673 6.011 ( -2.130 -0.207 2.134) 3.022 6.096 ( 4.257 -1.346 -1.617) 4.749 6.145 ( -5.965 1.954 -2.071) 6.610 6.255 ( 0.428 2.172 0.675) 2.314 6.274 ( -2.339 -3.184 3.431) 5.232 6.383 ( 4.447 0.699 -3.133) 5.485 6.423 ( 1.086 1.883 0.781) 2.310 6.532 ( -5.680 -0.563 1.446) 5.888 6.584 ( -1.668 -1.579 0.099) 2.299 6.620 ( -1.965 -0.945 2.479) 3.302 6.697 ( -0.129 1.100 -1.024) 1.508 6.768 ( -1.791 -0.766 5.348) 5.691 6.801 ( -2.908 -2.785 -0.528) 4.061 6.861 ( 0.250 1.759 -0.343) 1.810 7.004 ( -3.008 -2.846 0.021) 4.141 7.063 ( -1.482 2.699 0.141) 3.082 7.113 ( 0.714 3.117 -2.749) 4.216 7.222 ( -6.271 3.427 0.472) 7.162 7.300 ( 0.497 -3.030 1.313) 3.339 7.390 ( -3.556 -3.308 -0.011) 4.857 7.426 ( -0.554 -0.753 -1.700) 1.940 7.540 ( 2.239 0.370 0.390) 2.303 7.602 ( -2.742 1.694 2.336) 3.981 7.644 ( -0.777 0.102 2.675) 2.788 7.720 ( 4.831 2.136 -3.793) 6.504 9.614 ( 0.514 1.142 0.716) 1.443 9.639 ( 1.181 1.044 -0.855) 1.794 9.848 ( 0.200 0.640 0.356) 0.759 9.872 ( 0.982 1.311 -0.246) 1.657 10.328 ( 0.574 -2.573 1.461) 3.014 10.361 ( 0.618 -3.105 -1.346) 3.440 11.694 ( -8.767 6.120 1.275) 10.768 11.920 ( -0.999 5.053 4.809) 7.047 12.544 ( -2.377 1.406 3.984) 4.848 12.701 ( -3.498 2.347 -4.094) 5.874 12.799 ( 1.794 0.178 3.365) 3.818 12.845 ( 1.953 -0.534 -3.635) 4.160 12.912 ( 0.358 -3.760 -1.281) 3.988 13.067 ( 2.223 1.625 0.850) 2.882 13.170 ( 3.876 -1.771 -5.133) 6.672 13.363 ( 10.694 -10.083 0.140) 14.699======================= Grid point 58 (26/60) =======================q-point: ( 0.29 0.14 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.190 ( 13.034 2.745 4.182) 13.961 1.459 ( 13.672 6.295 4.120) 15.606 1.582 ( 11.037 5.898 -7.304) 14.490 1.619 ( 9.208 8.385 5.217) 13.503 1.749 ( 7.639 2.551 6.577) 10.399 1.988 ( 8.454 10.296 4.197) 13.967 2.302 ( -5.593 -2.322 -4.235) 7.390 2.410 ( -2.380 -1.453 -2.388) 3.671 2.453 ( -1.529 -0.217 -1.597) 2.222 2.541 ( 2.680 4.834 -2.185) 5.943 2.625 ( 0.037 3.288 -6.191) 7.010 2.710 ( -1.713 0.324 -4.405) 4.737 2.772 ( -0.159 -0.433 0.392) 0.606 2.899 ( 6.886 3.584 -6.010) 9.817 2.912 ( 1.570 -0.265 6.619) 6.807 3.027 ( 4.638 -1.235 -7.702) 9.075 3.145 ( 3.405 -3.745 1.958) 5.427 3.179 ( -0.862 -3.035 -3.426) 4.657 3.230 ( 0.639 2.645 7.368) 7.854 3.281 ( -7.349 0.270 -0.705) 7.388 3.349 ( -2.961 -3.160 0.057) 4.331 3.387 ( -6.275 1.861 -0.407) 6.558 3.417 ( -4.751 -0.285 -1.419) 4.967 3.501 ( 5.088 -6.508 0.843) 8.304 3.579 ( -0.129 -2.726 -0.961) 2.893 3.656 ( 2.419 -2.162 -0.024) 3.245 3.709 ( -2.338 -5.940 -2.173) 6.744 3.719 ( 1.490 -3.306 0.899) 3.736 3.827 ( 5.614 -1.684 -1.794) 6.129 3.901 ( 4.440 -4.861 3.691) 7.547 3.977 ( -2.889 3.189 2.320) 4.889 4.023 ( -2.661 -3.729 3.072) 5.516 4.091 ( 6.659 1.140 1.659) 6.957 4.121 ( 1.777 -5.609 2.781) 6.508 4.236 ( 0.254 -3.212 -0.119) 3.225 4.241 ( 2.035 2.251 -1.003) 3.196 4.336 ( -0.743 -6.401 0.443) 6.459 4.401 ( -1.120 -0.020 -6.005) 6.109 4.474 ( -1.060 -3.363 1.617) 3.879 4.557 ( -1.085 1.881 -3.143) 3.820 4.568 ( 1.179 1.487 -0.488) 1.959 4.675 ( -2.999 -0.592 -0.425) 3.086 4.691 ( 4.243 1.065 -1.048) 4.498 4.744 ( -3.511 -0.426 4.644) 5.838 4.777 ( -1.881 0.794 2.674) 3.364 4.803 ( -2.855 3.345 2.749) 5.186 4.903 ( 1.792 2.155 5.437) 6.117 4.974 ( 3.399 0.604 0.027) 3.453 5.000 ( 0.203 1.230 -1.650) 2.068 5.047 ( 2.249 4.508 3.204) 5.970 5.071 ( -0.628 -3.283 -2.166) 3.982 5.117 ( 1.044 -2.962 -0.605) 3.198 5.166 ( 1.068 0.277 0.997) 1.487 5.223 ( -0.727 1.161 -2.015) 2.436 5.237 ( 0.991 -2.261 2.180) 3.293 5.279 ( 2.967 -0.902 2.302) 3.862 5.319 ( -7.877 -0.577 -0.462) 7.912 5.382 ( -5.150 0.996 -4.453) 6.881 5.415 ( 3.059 0.663 -4.563) 5.534 5.504 ( -0.805 1.474 -0.411) 1.729 5.519 ( 1.264 -1.044 2.663) 3.127 5.601 ( -2.021 1.467 0.471) 2.541 5.653 ( -0.378 2.867 -0.871) 3.021 5.683 ( 0.055 3.193 -0.329) 3.211 5.757 ( 2.577 -0.653 -2.737) 3.816 5.910 ( 2.638 4.026 -2.226) 5.303 5.978 ( -3.206 0.433 6.841) 7.567 6.023 ( 0.022 -3.494 -4.707) 5.862 6.072 ( 3.807 1.030 3.475) 5.257 6.110 ( 1.280 1.768 -1.307) 2.544 6.170 ( -5.433 -3.997 1.201) 6.851 6.256 ( -2.684 -1.898 1.770) 3.733 6.353 ( -2.347 -3.048 -0.990) 3.972 6.477 ( -1.428 1.415 -2.970) 3.586 6.505 ( 2.033 5.363 1.020) 5.825 6.546 ( -2.109 1.368 0.659) 2.598 6.596 ( -0.671 -1.863 0.385) 2.017 6.678 ( -0.282 -1.187 -1.719) 2.108 6.753 ( -1.653 -0.473 -0.662) 1.842 6.791 ( -1.999 1.912 -4.096) 4.943 6.821 ( -0.709 -0.042 4.304) 4.362 6.969 ( -0.861 -2.680 0.532) 2.865 7.050 ( -0.199 1.759 -0.415) 1.818 7.088 ( -0.707 2.017 -0.273) 2.155 7.189 ( -0.794 2.636 2.764) 3.901 7.272 ( -5.263 -3.263 -0.515) 6.214 7.304 ( -4.016 1.443 0.645) 4.315 7.393 ( 0.039 -1.811 -2.707) 3.257 7.575 ( -1.589 -0.646 0.593) 1.815 7.602 ( 1.597 1.404 2.208) 3.066 7.652 ( -0.888 0.132 2.369) 2.534 7.746 ( 2.183 0.359 -4.163) 4.714 9.627 ( 0.986 0.892 -0.379) 1.383 9.656 ( 0.505 1.457 0.687) 1.688 9.862 ( 0.614 0.874 0.479) 1.170 9.884 ( 0.755 1.341 -0.534) 1.629 10.351 ( 0.765 -3.107 0.343) 3.218 10.367 ( 0.849 -2.995 -0.316) 3.128 11.581 ( -4.816 4.650 0.597) 6.722 11.879 ( -8.013 0.973 2.651) 8.496 12.540 ( -0.712 2.906 -2.016) 3.608 12.604 ( -1.854 6.099 1.187) 6.484 12.828 ( 0.677 -2.045 -0.780) 2.290 12.904 ( 2.793 1.070 1.170) 3.211 12.943 ( 3.244 -5.129 0.606) 6.099 13.126 ( 2.936 1.988 0.102) 3.547 13.216 ( 6.147 -2.808 -2.851) 7.334 13.479 ( 4.337 -6.206 -1.626) 7.744======================= Grid point 59 (27/60) =======================q-point: ( 0.43 0.14 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.365 ( 4.094 2.835 -1.602) 5.231 1.551 ( -5.995 3.893 -1.259) 7.258 1.737 ( 14.465 -1.281 -0.682) 14.537 1.857 ( 4.143 2.851 4.274) 6.600 2.041 ( 10.715 3.563 9.319) 14.641 2.123 ( -1.177 2.296 -5.604) 6.170 2.173 ( -0.410 2.208 1.817) 2.888 2.366 ( -0.859 3.368 4.150) 5.413 2.412 ( -1.645 1.171 -1.135) 2.316 2.496 ( 1.833 0.539 -2.508) 3.153 2.578 ( -0.288 2.305 -3.393) 4.112 2.638 ( -2.770 6.393 -2.688) 7.468 2.758 ( -0.638 -2.057 -3.045) 3.729 2.832 ( -3.871 2.027 -7.228) 8.446 2.967 ( -4.731 1.780 2.355) 5.576 3.084 ( 10.584 -0.503 -8.856) 13.810 3.109 ( -3.731 -1.133 -1.499) 4.177 3.145 ( -2.873 2.370 7.748) 8.597 3.221 ( 5.841 -4.061 -4.117) 8.219 3.249 ( -0.226 -2.478 0.697) 2.584 3.312 ( -0.274 -0.325 1.018) 1.103 3.411 ( 5.498 4.492 -0.059) 7.100 3.430 ( 0.567 1.936 4.256) 4.710 3.512 ( 2.427 -2.959 -3.946) 5.496 3.575 ( -1.432 -1.657 -1.457) 2.630 3.638 ( 1.108 -7.145 -2.159) 7.545 3.710 ( -0.477 -4.619 1.415) 4.855 3.764 ( 1.542 -4.610 -1.565) 5.107 3.917 ( -2.587 2.265 -2.874) 4.481 3.969 ( -0.251 -5.791 0.736) 5.843 3.982 ( 1.825 0.889 2.525) 3.240 4.082 ( 1.606 -7.545 2.696) 8.171 4.097 ( -2.539 -3.821 0.119) 4.589 4.136 ( -2.261 -4.478 0.876) 5.092 4.243 ( 3.827 -1.745 -0.078) 4.207 4.273 ( -0.104 2.567 -4.840) 5.479 4.310 ( 1.436 -8.307 -0.775) 8.466 4.426 ( -1.610 -2.187 -0.442) 2.751 4.460 ( 2.787 2.598 3.184) 4.966 4.508 ( -3.060 4.951 3.302) 6.692 4.574 ( -0.788 0.285 -0.589) 1.024 4.612 ( -3.837 2.434 2.024) 4.974 4.721 ( -2.959 1.018 5.759) 6.555 4.752 ( 3.035 4.592 -0.372) 5.517 4.780 ( 3.366 -1.005 -0.801) 3.603 4.845 ( -2.605 2.107 -8.324) 8.973 4.893 ( 2.382 1.458 -2.202) 3.556 4.957 ( -3.265 -3.137 1.149) 4.671 5.010 ( 1.297 0.169 1.949) 2.347 5.072 ( 1.030 -0.958 -0.532) 1.504 5.081 ( -2.232 -3.113 -1.741) 4.207 5.109 ( -1.364 2.323 5.620) 6.232 5.170 ( -2.575 1.333 4.034) 4.968 5.192 ( -3.322 1.177 1.720) 3.921 5.213 ( 1.632 -1.540 1.292) 2.589 5.289 ( 0.993 -0.034 3.145) 3.298 5.329 ( 1.245 -1.486 1.160) 2.259 5.401 ( 4.163 -1.411 1.117) 4.535 5.439 ( 4.614 2.797 -2.773) 6.066 5.474 ( -4.341 2.044 2.301) 5.321 5.529 ( 0.199 0.687 0.323) 0.784 5.594 ( 1.684 4.382 0.482) 4.719 5.655 ( -2.690 3.147 5.344) 6.760 5.702 ( 2.255 -0.742 -3.326) 4.086 5.765 ( 0.584 -1.536 -0.786) 1.822 5.852 ( -3.938 3.324 -0.714) 5.202 5.934 ( -3.014 0.683 2.079) 3.725 6.030 ( 2.601 -2.123 -6.365) 7.196 6.086 ( 0.442 -4.204 -1.276) 4.416 6.131 ( -1.345 0.985 -1.986) 2.593 6.164 ( 1.134 -3.930 5.198) 6.614 6.234 ( -3.928 2.772 -0.607) 4.845 6.364 ( 1.512 -5.081 1.659) 5.555 6.421 ( 0.503 2.435 -0.466) 2.530 6.508 ( -1.366 -0.215 -0.608) 1.510 6.550 ( 1.061 0.225 2.183) 2.438 6.573 ( -2.252 -1.361 -0.172) 2.637 6.626 ( 0.247 3.190 -3.299) 4.596 6.732 ( 2.819 -1.026 -3.883) 4.907 6.763 ( 1.592 1.667 -2.545) 3.434 6.827 ( -4.027 2.364 1.185) 4.818 6.957 ( -0.800 -5.048 -1.643) 5.368 7.049 ( 0.634 0.145 0.628) 0.904 7.107 ( -1.814 0.054 3.046) 3.546 7.133 ( -0.782 0.863 -0.249) 1.192 7.227 ( -3.611 3.790 1.425) 5.425 7.259 ( -0.140 2.613 2.776) 3.815 7.385 ( 1.395 -2.399 -1.854) 3.338 7.527 ( -1.756 0.691 -2.470) 3.108 7.632 ( -0.781 0.555 -0.803) 1.250 7.670 ( -0.859 0.935 3.191) 3.434 7.738 ( 2.737 -1.502 -2.808) 4.199 9.647 ( 1.288 1.076 0.319) 1.708 9.664 ( -0.624 1.245 0.815) 1.613 9.873 ( -0.083 1.339 0.446) 1.413 9.891 ( 0.664 1.119 -0.481) 1.387 10.363 ( 0.125 -3.017 0.141) 3.023 10.375 ( 0.541 -3.341 -0.510) 3.423 11.539 ( -1.346 4.478 2.212) 5.173 11.753 ( -4.714 0.605 -1.972) 5.145 12.531 ( 2.006 4.025 -0.715) 4.553 12.595 ( -2.054 6.637 0.940) 7.011 12.834 ( 0.537 -2.699 0.172) 2.757 12.918 ( 0.177 -0.418 -2.055) 2.105 13.012 ( 0.895 -3.378 2.862) 4.517 13.152 ( 1.377 1.288 -2.446) 3.089 13.317 ( 3.705 -3.840 2.917) 6.081 13.511 ( 1.562 -5.011 -2.035) 5.630======================= Grid point 60 (28/60) =======================q-point: (-0.43 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.315 ( -13.742 7.180 -3.103) 15.812 1.393 ( -0.362 3.048 1.368) 3.360 1.739 ( -15.457 -1.564 -0.548) 15.546 1.976 ( -3.179 1.923 6.596) 7.571 2.017 ( -5.821 5.825 -2.625) 8.643 2.078 ( 1.353 3.151 5.399) 6.396 2.293 ( 2.575 -1.369 3.856) 4.835 2.406 ( 7.599 -0.715 -3.877) 8.561 2.458 ( 1.025 2.127 -3.490) 4.214 2.511 ( -1.620 4.490 3.959) 6.202 2.590 ( 7.676 6.045 -7.814) 12.511 2.611 ( 4.806 -0.883 2.574) 5.523 2.674 ( 1.780 0.647 -5.601) 5.913 2.788 ( 1.145 4.425 -2.798) 5.359 2.954 ( -5.885 -1.518 3.100) 6.822 3.007 ( -6.285 2.948 -5.317) 8.744 3.055 ( -0.352 -0.089 -4.437) 4.452 3.102 ( -9.351 0.052 -1.553) 9.479 3.281 ( 2.107 0.248 -0.609) 2.207 3.304 ( 2.992 -5.417 2.245) 6.583 3.345 ( 2.035 -2.156 1.486) 3.316 3.442 ( -0.456 -1.743 4.651) 4.988 3.455 ( -2.166 -4.475 0.696) 5.020 3.513 ( -0.704 1.157 -1.919) 2.349 3.612 ( 1.540 -4.249 -1.490) 4.759 3.666 ( -5.223 -1.606 -4.424) 7.031 3.687 ( 3.975 0.679 -3.009) 5.032 3.721 ( 5.208 -5.010 -0.520) 7.245 3.778 ( -2.836 -0.959 -0.330) 3.012 3.943 ( -1.648 0.622 -1.552) 2.347 3.991 ( -2.983 -5.438 5.593) 8.352 4.087 ( 2.137 -3.712 2.003) 4.729 4.117 ( 4.834 -3.205 -1.111) 5.905 4.179 ( -0.146 -4.570 -1.630) 4.854 4.220 ( 3.313 2.956 -4.259) 6.153 4.267 ( -1.384 -4.654 -2.989) 5.702 4.401 ( 3.142 -1.846 2.338) 4.330 4.415 ( -0.725 -2.110 7.855) 8.166 4.440 ( -4.296 0.404 -0.670) 4.366 4.525 ( 5.423 1.135 -0.357) 5.552 4.531 ( -6.192 3.670 4.260) 8.364 4.590 ( 1.248 -4.410 0.706) 4.637 4.699 ( -5.742 3.990 -3.113) 7.654 4.748 ( -2.099 -0.657 -1.910) 2.913 4.789 ( -1.818 6.227 -1.397) 6.636 4.815 ( 1.057 -0.425 4.032) 4.189 4.876 ( 7.217 2.476 -1.079) 7.706 4.987 ( 0.671 -0.958 -4.999) 5.134 5.010 ( -4.221 1.262 -0.808) 4.479 5.026 ( 0.483 0.791 3.093) 3.228 5.056 ( -2.137 -0.156 -1.027) 2.376 5.134 ( -1.309 0.890 3.290) 3.651 5.184 ( -2.142 -2.163 4.690) 5.591 5.231 ( 0.765 -1.268 3.449) 3.753 5.266 ( 1.939 -3.076 1.739) 4.030 5.348 ( 1.563 -1.739 2.525) 3.441 5.369 ( -3.388 0.807 -1.502) 3.792 5.407 ( 4.510 -0.053 2.229) 5.031 5.457 ( 0.086 1.528 2.664) 3.072 5.511 ( -0.330 0.942 0.935) 1.368 5.545 ( -5.274 1.567 1.492) 5.701 5.569 ( -1.057 -2.333 -0.927) 2.723 5.683 ( 3.100 1.184 -1.346) 3.581 5.736 ( 0.358 2.316 3.537) 4.243 5.763 ( 2.323 0.397 -0.856) 2.507 5.839 ( 4.097 4.060 0.559) 5.795 5.921 ( -2.375 0.917 -2.073) 3.283 5.991 ( -0.662 3.495 -0.928) 3.676 6.019 ( 2.706 0.021 -5.774) 6.376 6.107 ( 2.249 0.636 -2.567) 3.472 6.233 ( 2.999 -3.653 -0.087) 4.727 6.258 ( 4.457 -2.518 1.692) 5.392 6.361 ( -3.746 -2.250 3.415) 5.546 6.422 ( -2.140 -0.457 3.204) 3.879 6.493 ( -0.159 -0.815 -0.791) 1.147 6.522 ( -3.170 0.913 0.425) 3.326 6.569 ( 3.280 1.363 -2.725) 4.477 6.664 ( -2.314 -0.351 -1.179) 2.621 6.676 ( -3.072 0.264 -2.173) 3.772 6.768 ( 0.709 -0.593 1.700) 1.935 6.824 ( 7.095 1.087 -2.266) 7.527 6.876 ( -2.785 -4.416 -5.331) 7.461 7.066 ( -0.565 0.893 2.303) 2.534 7.128 ( 1.976 0.837 1.266) 2.492 7.185 ( -0.986 2.810 1.379) 3.282 7.200 ( 3.179 -0.484 1.512) 3.553 7.305 ( 0.820 2.219 2.573) 3.496 7.387 ( 1.520 -0.585 -3.500) 3.860 7.492 ( -0.160 2.484 0.974) 2.673 7.578 ( -0.846 0.262 -3.609) 3.716 7.666 ( -2.919 -0.029 2.071) 3.580 7.779 ( 2.954 -0.897 -1.276) 3.341 9.649 ( -1.582 1.282 0.385) 2.072 9.675 ( 0.729 0.617 0.742) 1.209 9.868 ( -0.819 1.268 0.339) 1.547 9.895 ( 0.188 1.398 -0.361) 1.456 10.353 ( -1.190 -2.827 -0.043) 3.068 10.380 ( 0.415 -3.394 -0.330) 3.435 11.576 ( 1.016 3.420 3.847) 5.247 11.697 ( 2.487 2.426 -3.641) 5.033 12.532 ( -3.460 5.425 -0.710) 6.474 12.601 ( 4.076 4.513 0.944) 6.154 12.842 ( -1.019 -2.216 0.482) 2.487 12.887 ( -0.246 -1.338 -1.758) 2.223 13.033 ( -1.700 -1.618 2.873) 3.710 13.126 ( -1.068 1.063 -2.628) 3.029 13.381 ( -0.979 -3.808 3.962) 5.582 13.492 ( -0.530 -6.580 -3.476) 7.460======================= Grid point 61 (29/60) =======================q-point: (-0.29 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.067 ( -15.115 11.602 6.841) 20.245 1.218 ( -22.700 6.561 -0.383) 23.632 1.517 ( -6.340 0.477 4.977) 8.075 1.804 ( -9.801 4.528 -0.828) 10.829 2.041 ( -2.552 0.516 10.657) 10.971 2.160 ( -21.503 12.687 -6.508) 25.801 2.240 ( 1.030 2.392 -4.551) 5.244 2.334 ( -4.084 5.829 3.521) 7.940 2.441 ( 7.334 0.520 -4.525) 8.633 2.509 ( 1.654 5.157 -13.710) 14.741 2.576 ( -1.289 0.001 2.012) 2.390 2.672 ( 0.040 5.949 -0.863) 6.011 2.690 ( -2.099 1.967 1.535) 3.260 2.778 ( 8.537 3.666 0.387) 9.299 2.829 ( 3.810 3.952 -1.365) 5.657 2.948 ( -0.042 -11.510 -4.061) 12.205 3.043 ( 2.379 -3.299 2.353) 4.699 3.145 ( 4.354 -1.864 1.856) 5.087 3.272 ( -0.763 -6.838 -0.349) 6.890 3.302 ( 0.188 -3.302 2.189) 3.966 3.342 ( -2.499 -1.069 -5.367) 6.016 3.417 ( -1.492 -1.810 -0.284) 2.363 3.453 ( -1.085 -0.154 1.598) 1.938 3.509 ( 0.530 0.720 1.091) 1.410 3.554 ( -0.533 -3.771 -3.885) 5.440 3.597 ( -4.151 -8.278 -1.177) 9.335 3.720 ( 0.686 -5.569 3.769) 6.759 3.782 ( 2.562 -0.368 -0.019) 2.588 3.834 ( 1.079 -0.626 0.846) 1.507 3.934 ( 0.967 -2.244 1.310) 2.772 4.034 ( -6.796 -3.470 -2.685) 8.090 4.049 ( 1.810 -2.117 5.460) 6.130 4.093 ( -1.926 -8.585 -0.655) 8.822 4.153 ( -3.449 2.351 -1.992) 4.625 4.217 ( 0.293 -2.153 -0.215) 2.183 4.326 ( 9.020 -3.413 -3.101) 10.131 4.398 ( -1.484 0.755 -1.570) 2.288 4.443 ( 0.657 -0.894 -4.886) 5.010 4.462 ( -4.387 1.277 11.685) 12.546 4.538 ( 2.907 2.863 -0.791) 4.156 4.590 ( -1.635 -0.408 -0.115) 1.689 4.598 ( -0.431 2.400 -3.128) 3.967 4.649 ( 4.950 1.396 4.890) 7.097 4.717 ( -0.358 1.318 1.071) 1.735 4.759 ( -1.471 5.826 1.880) 6.296 4.831 ( -3.398 -0.455 -0.088) 3.430 4.937 ( -0.118 -1.428 0.958) 1.723 4.965 ( 1.471 0.645 -2.374) 2.866 5.007 ( -0.788 0.008 2.440) 2.564 5.011 ( 4.391 3.109 0.489) 5.402 5.071 ( 1.795 -2.849 3.533) 4.881 5.116 ( -2.445 -1.428 0.776) 2.936 5.195 ( -1.103 -3.353 3.591) 5.035 5.270 ( -4.928 -2.073 -1.477) 5.547 5.286 ( 1.690 -1.743 -0.762) 2.545 5.307 ( -0.766 -0.326 -2.081) 2.242 5.378 ( -0.274 -1.388 -2.446) 2.826 5.418 ( 1.080 1.637 1.422) 2.423 5.432 ( -1.961 -1.056 2.172) 3.111 5.526 ( 2.326 4.174 1.200) 4.927 5.544 ( -1.212 0.798 1.314) 1.958 5.561 ( 0.581 -0.993 -1.849) 2.178 5.627 ( -2.029 3.181 -1.407) 4.027 5.704 ( -0.881 2.554 -7.813) 8.267 5.743 ( 0.820 1.000 -1.320) 1.848 5.885 ( 1.994 1.271 -1.722) 2.925 5.926 ( 1.829 2.278 -3.562) 4.607 6.088 ( 5.086 1.002 3.566) 6.292 6.133 ( -0.101 -3.068 0.268) 3.082 6.168 ( 7.178 2.810 7.881) 11.024 6.199 ( -6.219 -2.718 -0.170) 6.789 6.276 ( -1.209 -1.716 1.764) 2.742 6.370 ( -5.881 1.508 -2.694) 6.642 6.428 ( 6.760 -2.991 -0.166) 7.394 6.455 ( 1.991 0.745 -0.700) 2.238 6.504 ( -3.739 3.109 -1.094) 4.984 6.570 ( 2.339 -0.581 1.835) 3.029 6.611 ( 2.832 -0.976 -0.793) 3.098 6.709 ( 2.855 2.449 -3.212) 4.946 6.734 ( -2.957 -3.046 -2.995) 5.195 6.826 ( 0.922 -3.764 4.557) 5.982 6.933 ( 3.250 -0.009 -0.087) 3.251 7.095 ( 0.333 0.423 2.555) 2.611 7.138 ( 1.330 2.547 -1.761) 3.370 7.204 ( 1.787 1.429 2.260) 3.216 7.299 ( -0.029 -1.767 -1.075) 2.068 7.312 ( 4.187 -0.869 1.321) 4.476 7.379 ( 1.514 1.978 -3.778) 4.525 7.511 ( 0.261 0.358 1.118) 1.203 7.579 ( 1.997 2.970 1.405) 3.844 7.627 ( -2.425 0.336 1.264) 2.755 7.790 ( 0.457 0.630 -2.753) 2.861 9.620 ( -1.706 1.609 0.029) 2.345 9.683 ( -0.510 0.026 0.328) 0.607 9.856 ( -0.861 0.998 0.381) 1.372 9.887 ( -0.593 1.532 -0.439) 1.700 10.326 ( -1.576 -2.749 0.093) 3.170 10.383 ( 0.178 -3.173 -0.075) 3.179 11.624 ( 1.865 2.053 0.716) 2.865 11.785 ( 7.774 6.632 2.587) 10.541 12.467 ( -1.914 4.140 -0.742) 4.621 12.689 ( 4.108 3.755 -0.069) 5.566 12.791 ( -3.594 -0.306 -0.518) 3.644 12.892 ( 0.723 -3.008 0.457) 3.127 13.019 ( -3.000 -0.342 2.641) 4.011 13.068 ( -2.158 1.195 -1.869) 3.095 13.359 ( -4.912 -6.523 -1.083) 8.237 13.404 ( -4.591 -7.543 -3.207) 9.395======================= Grid point 62 (30/60) =======================q-point: (-0.14 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.810 ( -18.801 19.076 5.863) 27.418 0.852 ( -20.528 17.569 6.795) 27.861 1.431 ( -21.307 15.235 9.252) 27.779 1.516 ( -12.831 9.767 6.786) 17.495 1.703 ( -7.893 3.576 -4.325) 9.685 2.092 ( 0.272 1.132 -13.863) 13.912 2.223 ( 1.284 3.629 -0.371) 3.868 2.370 ( 2.465 1.079 -5.078) 5.747 2.441 ( 5.809 2.623 -0.949) 6.444 2.555 ( 3.613 1.792 1.744) 4.394 2.585 ( 2.149 4.753 1.424) 5.407 2.670 ( 2.207 1.204 -9.119) 9.459 2.734 ( 0.214 1.312 7.143) 7.266 2.867 ( -1.385 -6.254 3.970) 7.536 2.888 ( 7.140 4.303 -2.577) 8.726 2.953 ( 5.554 -4.433 -4.243) 8.277 3.123 ( 0.908 -5.229 4.473) 6.941 3.146 ( -4.109 -3.122 0.178) 5.164 3.230 ( -1.954 -3.851 -0.350) 4.332 3.322 ( 1.457 -0.049 3.262) 3.573 3.358 ( -2.313 -2.931 1.573) 4.052 3.428 ( 5.487 -1.696 -0.011) 5.744 3.460 ( -2.826 -1.285 3.744) 4.863 3.502 ( -1.330 0.573 3.687) 3.961 3.519 ( 0.294 -4.958 0.898) 5.048 3.571 ( 1.347 -3.777 -2.230) 4.589 3.716 ( -3.918 -4.461 -0.767) 5.987 3.779 ( 1.867 0.112 -0.391) 1.911 3.864 ( 0.058 -8.099 -0.493) 8.114 3.876 ( -1.324 -4.702 -2.309) 5.403 3.944 ( -6.602 -0.687 -1.263) 6.757 4.076 ( 0.194 -0.633 0.785) 1.027 4.078 ( 1.054 -1.945 -1.746) 2.818 4.147 ( 0.861 -0.334 1.684) 1.921 4.226 ( 2.130 1.592 -2.196) 3.449 4.301 ( -1.397 1.320 -2.471) 3.131 4.379 ( -5.527 -1.172 -3.000) 6.397 4.410 ( 0.924 -4.403 -1.255) 4.671 4.489 ( 5.959 -2.821 -2.494) 7.049 4.529 ( -2.689 -3.680 -0.189) 4.562 4.581 ( 1.638 3.673 0.082) 4.022 4.592 ( -0.127 -2.623 0.499) 2.673 4.716 ( 2.455 3.142 0.698) 4.049 4.764 ( -3.287 1.888 4.598) 5.959 4.788 ( 0.334 0.122 3.867) 3.883 4.839 ( 0.625 3.495 5.958) 6.936 4.931 ( -4.627 -2.964 1.179) 5.621 4.951 ( 0.426 1.723 -2.620) 3.164 5.016 ( 2.113 0.881 0.360) 2.318 5.054 ( -0.198 0.788 -1.916) 2.081 5.108 ( 0.211 0.064 -1.574) 1.590 5.138 ( -2.665 0.882 -0.346) 2.829 5.146 ( -1.451 -4.975 -1.704) 5.456 5.218 ( -2.097 0.332 -5.833) 6.207 5.253 ( 0.520 -0.412 3.529) 3.590 5.277 ( 1.405 -6.120 4.145) 7.523 5.381 ( 2.549 2.390 -2.835) 4.499 5.433 ( -0.300 6.897 -1.583) 7.083 5.474 ( 2.731 -3.286 -3.196) 5.336 5.515 ( -2.339 2.634 0.002) 3.523 5.525 ( -1.211 2.841 -2.618) 4.049 5.593 ( 1.243 -0.024 -1.323) 1.816 5.602 ( 3.729 -0.486 0.232) 3.768 5.654 ( 0.097 -0.045 0.953) 0.959 5.765 ( 5.612 2.402 -4.400) 7.525 5.871 ( -0.830 2.731 -1.201) 3.096 5.924 ( -7.193 2.065 -1.732) 7.681 5.981 ( -4.665 0.411 2.638) 5.375 6.093 ( -6.279 -1.159 1.855) 6.649 6.185 ( 1.275 -2.387 2.154) 3.459 6.251 ( -0.543 -0.541 1.055) 1.304 6.320 ( -1.178 -0.362 1.540) 1.972 6.389 ( 7.608 2.126 2.096) 8.173 6.419 ( -0.106 -0.577 -3.174) 3.228 6.479 ( -0.240 0.361 -2.927) 2.959 6.547 ( 3.636 3.589 -0.097) 5.109 6.595 ( 1.394 -4.020 3.295) 5.382 6.647 ( 1.003 -0.588 -0.795) 1.409 6.686 ( 0.928 1.500 2.132) 2.767 6.807 ( 3.407 2.777 2.600) 5.107 6.877 ( 0.279 -3.501 2.314) 4.206 6.945 ( 1.188 -1.104 -1.600) 2.278 7.111 ( 0.186 2.060 -0.038) 2.068 7.139 ( 0.362 1.321 -2.587) 2.927 7.250 ( -2.065 -2.242 0.849) 3.164 7.331 ( 2.943 -4.393 3.077) 6.118 7.361 ( 3.456 0.021 -3.455) 4.887 7.401 ( 3.149 0.718 0.933) 3.362 7.534 ( -0.669 0.208 1.030) 1.245 7.615 ( -0.633 3.533 1.126) 3.762 7.628 ( 0.870 1.489 1.859) 2.536 7.762 ( 2.005 2.074 -3.818) 4.785 9.596 ( -0.851 1.941 0.207) 2.129 9.665 ( -1.250 -0.162 -0.356) 1.310 9.849 ( -0.325 0.836 0.457) 1.006 9.868 ( -0.817 1.317 -0.333) 1.585 10.305 ( -1.029 -2.492 0.633) 2.769 10.382 ( -0.013 -3.191 -0.536) 3.235 11.680 ( 3.424 4.350 1.089) 5.642 12.062 ( 16.509 5.594 9.123) 19.674 12.462 ( 1.471 2.645 0.854) 3.145 12.682 ( -6.054 -0.113 -1.274) 6.188 12.753 ( 1.437 3.794 -1.117) 4.208 12.889 ( -2.621 -5.454 -1.274) 6.184 12.966 ( -3.644 -0.374 -3.320) 4.943 13.040 ( -2.327 0.745 0.471) 2.488 13.091 ( -12.208 -8.463 -5.291) 15.769 13.316 ( -6.353 -2.830 2.020) 7.243======================= Grid point 63 (31/60) =======================q-point: ( 0.00 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( -4.317 21.297 0.275) 21.732 1.256 ( 3.493 11.846 -3.455) 12.824 1.435 ( -0.391 13.411 2.983) 13.744 1.650 ( 1.534 9.774 -0.242) 9.897 1.974 ( -5.959 5.359 -7.641) 11.073 2.035 ( 3.647 20.441 19.159) 28.253 2.232 ( -3.013 -2.724 -7.731) 8.733 2.401 ( 2.598 -2.536 -4.119) 5.490 2.469 ( -1.452 -1.458 -3.981) 4.481 2.572 ( -0.596 4.974 6.428) 8.149 2.648 ( 2.662 2.377 2.662) 4.452 2.710 ( 1.078 -5.865 3.997) 7.179 2.783 ( 3.899 3.885 -4.213) 6.932 2.848 ( 3.096 0.081 1.962) 3.666 2.917 ( 2.167 -2.861 0.942) 3.711 2.976 ( 3.959 1.753 -4.072) 5.944 2.992 ( -3.144 -4.188 -0.889) 5.312 3.053 ( -3.894 -4.775 2.703) 6.728 3.201 ( -2.342 -3.071 -8.433) 9.275 3.228 ( -4.429 -2.957 1.386) 5.502 3.325 ( 3.475 -2.403 4.196) 5.954 3.375 ( -1.899 -2.729 -2.432) 4.120 3.407 ( 0.539 -3.301 -1.307) 3.591 3.447 ( 0.435 -3.848 3.835) 5.450 3.508 ( -2.971 -5.372 -0.910) 6.206 3.637 ( -1.297 0.068 5.437) 5.590 3.661 ( 1.265 1.380 5.256) 5.579 3.709 ( -0.321 -0.373 -0.525) 0.720 3.743 ( 2.435 -4.331 5.424) 7.356 3.770 ( -0.834 -2.772 0.035) 2.895 3.897 ( 3.262 0.554 -1.206) 3.522 3.953 ( -3.237 -5.465 -0.175) 6.354 4.044 ( 0.310 0.102 -7.046) 7.054 4.117 ( -1.395 -8.306 2.721) 8.851 4.167 ( -2.412 -0.873 -4.484) 5.166 4.206 ( 1.401 -6.249 -2.631) 6.923 4.300 ( 1.139 -0.395 -0.544) 1.323 4.374 ( 0.184 -4.012 -2.203) 4.580 4.494 ( 2.624 2.390 0.587) 3.598 4.529 ( 1.324 2.528 -2.305) 3.668 4.574 ( 2.245 -1.860 0.454) 2.950 4.640 ( -0.949 -1.627 1.285) 2.280 4.699 ( 1.319 1.270 -3.616) 4.053 4.729 ( -2.727 -1.182 -0.160) 2.977 4.800 ( 0.428 1.116 -1.918) 2.260 4.854 ( -0.124 -3.883 1.975) 4.358 4.926 ( -0.157 -4.331 2.007) 4.776 4.949 ( 0.034 4.105 -2.802) 4.970 5.018 ( -1.894 -0.219 0.311) 1.932 5.033 ( -1.225 1.053 -2.005) 2.574 5.081 ( -1.757 1.908 -0.473) 2.637 5.121 ( 2.045 -3.206 2.476) 4.538 5.145 ( -0.532 4.454 3.796) 5.876 5.223 ( -3.328 -2.537 -2.764) 5.015 5.242 ( -1.387 -3.330 0.506) 3.643 5.283 ( 0.777 1.326 1.521) 2.162 5.389 ( 3.220 0.874 -2.768) 4.335 5.430 ( -3.896 0.685 -0.408) 3.977 5.476 ( -1.319 2.750 0.841) 3.164 5.523 ( 3.932 -3.096 -4.086) 6.461 5.587 ( -0.831 1.839 -3.818) 4.318 5.599 ( 6.505 2.830 -4.794) 8.562 5.667 ( 3.069 3.163 -1.788) 4.756 5.700 ( -2.268 4.703 2.038) 5.605 5.801 ( -1.886 0.655 -0.219) 2.009 5.906 ( -2.926 5.622 0.482) 6.356 5.931 ( 4.245 -0.928 -1.268) 4.527 6.005 ( -3.385 -0.574 6.666) 7.498 6.022 ( 1.414 1.018 -0.004) 1.743 6.151 ( 2.165 -4.262 -0.661) 4.826 6.249 ( -1.652 0.253 5.819) 6.054 6.301 ( 0.490 0.544 0.044) 0.733 6.344 ( 1.056 -1.490 -2.861) 3.394 6.445 ( -3.106 -0.986 -1.595) 3.629 6.469 ( -0.545 -2.583 2.314) 3.510 6.585 ( -0.482 -1.263 -1.018) 1.692 6.705 ( -0.519 3.020 2.799) 4.150 6.714 ( -2.152 0.947 2.534) 3.456 6.746 ( 1.395 2.507 2.037) 3.519 6.813 ( -0.807 -1.011 -0.280) 1.323 6.869 ( -0.043 2.471 4.539) 5.168 6.975 ( -0.232 -1.637 1.395) 2.163 7.094 ( 0.073 -2.557 1.127) 2.795 7.126 ( 2.341 -1.252 -0.579) 2.717 7.229 ( 0.494 -0.206 1.779) 1.857 7.298 ( -1.412 -2.693 -1.627) 3.448 7.365 ( 1.015 0.959 -1.522) 2.066 7.447 ( 1.352 0.659 -2.411) 2.842 7.564 ( 0.681 2.169 0.216) 2.283 7.655 ( -1.042 1.792 -2.413) 3.181 7.693 ( -1.572 2.577 0.633) 3.084 7.739 ( 1.153 -0.059 -2.788) 3.018 9.643 ( 0.123 2.562 0.258) 2.578 9.654 ( -0.310 1.138 -0.210) 1.198 9.864 ( -0.389 0.902 0.339) 1.039 9.882 ( 0.427 0.935 -0.468) 1.129 10.249 ( 0.131 -3.138 0.864) 3.257 10.291 ( -0.104 -4.509 -0.804) 4.582 11.911 ( 0.763 8.599 3.576) 9.345 12.159 ( -6.614 3.643 -9.133) 11.851 12.565 ( -1.846 1.343 3.696) 4.345 12.673 ( 8.106 -2.329 0.586) 8.454 12.744 ( 1.512 -1.902 5.127) 5.674 12.824 ( 0.217 -2.030 -1.095) 2.316 12.889 ( -1.351 2.457 1.249) 3.070 12.980 ( 1.167 0.682 0.098) 1.356 13.087 ( 1.210 -0.754 1.323) 1.945 13.164 ( -2.762 -2.516 -1.861) 4.173======================= Grid point 64 (32/60) =======================q-point: ( 0.14 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 6.594 14.234 2.547) 15.892 1.363 ( 13.004 9.960 0.123) 16.381 1.623 ( 9.501 14.642 9.034) 19.654 1.654 ( 6.190 11.619 -11.322) 17.364 1.876 ( -5.714 9.034 4.448) 11.578 2.084 ( 0.515 4.122 -2.976) 5.110 2.305 ( 6.288 0.381 -1.122) 6.398 2.390 ( 1.854 -1.936 -6.749) 7.262 2.512 ( -4.980 0.423 0.091) 4.998 2.573 ( 8.719 12.983 4.873) 16.381 2.644 ( -2.713 -4.793 -1.555) 5.723 2.770 ( -1.379 -3.397 4.125) 5.519 2.822 ( -3.846 -0.411 1.834) 4.281 2.838 ( -4.223 -0.350 1.313) 4.436 2.902 ( 3.953 2.288 4.978) 6.755 2.969 ( 0.387 1.335 -3.805) 4.051 3.021 ( 4.575 -2.425 -6.098) 8.000 3.092 ( 5.144 -5.364 4.320) 8.596 3.173 ( 0.841 -4.991 0.805) 5.126 3.187 ( 2.490 -1.618 -2.379) 3.805 3.323 ( -0.439 -4.939 -2.524) 5.564 3.343 ( -4.780 -2.162 -0.659) 5.287 3.425 ( 1.324 -4.391 2.656) 5.300 3.464 ( 1.199 -3.521 -0.470) 3.749 3.531 ( 1.418 -1.410 5.548) 5.897 3.614 ( -1.377 -1.040 4.731) 5.036 3.673 ( -3.791 -2.857 -0.372) 4.762 3.731 ( -3.485 -1.269 -0.580) 3.754 3.772 ( 3.635 -0.924 -1.214) 3.942 3.776 ( -0.455 4.293 -1.422) 4.546 3.920 ( 1.847 -4.969 -1.878) 5.624 3.968 ( 1.383 -0.809 0.268) 1.625 4.012 ( 4.576 2.433 1.291) 5.341 4.115 ( -3.244 -1.941 -0.109) 3.782 4.120 ( -2.378 -5.578 3.962) 7.243 4.232 ( 4.928 -3.760 -2.751) 6.782 4.329 ( -0.224 -3.365 -4.850) 5.908 4.335 ( 2.967 -6.135 -3.192) 7.525 4.462 ( -0.936 3.076 -3.618) 4.840 4.558 ( -5.878 -0.446 0.574) 5.923 4.585 ( 2.844 -1.493 -0.786) 3.307 4.640 ( 0.956 1.566 6.567) 6.819 4.712 ( 1.521 1.979 -3.018) 3.916 4.745 ( 3.529 1.089 -0.684) 3.757 4.814 ( 1.113 -0.475 1.853) 2.213 4.845 ( -1.809 -2.900 -3.730) 5.059 4.891 ( 1.463 -7.346 2.257) 7.823 4.921 ( -5.450 1.278 -0.878) 5.666 4.979 ( -0.417 -4.268 -3.153) 5.323 5.030 ( -4.288 -1.059 0.131) 4.419 5.040 ( 0.718 2.100 1.453) 2.653 5.056 ( 1.762 1.909 -1.948) 3.247 5.151 ( -4.133 -0.144 3.234) 5.250 5.225 ( 2.618 2.350 3.159) 4.728 5.269 ( -1.817 0.694 -0.646) 2.050 5.328 ( 1.908 -1.774 2.659) 3.723 5.356 ( 0.097 1.362 1.044) 1.718 5.423 ( -2.356 3.015 0.296) 3.837 5.445 ( 2.677 -0.241 -4.535) 5.272 5.506 ( -3.190 -0.320 -2.957) 4.361 5.578 ( 2.010 0.011 -1.223) 2.353 5.654 ( 1.183 3.181 -1.811) 3.846 5.656 ( 0.417 2.047 -2.440) 3.212 5.733 ( 5.735 1.431 -2.395) 6.378 5.783 ( 0.641 0.466 0.061) 0.795 5.886 ( -0.678 6.147 -0.251) 6.189 5.977 ( 2.733 -1.918 0.418) 3.365 5.991 ( -2.744 3.219 5.613) 7.028 6.077 ( 1.699 -0.657 -0.296) 1.845 6.146 ( -0.016 -2.506 -4.739) 5.361 6.230 ( -4.197 -0.386 1.278) 4.404 6.319 ( -2.561 -2.859 -1.064) 3.984 6.337 ( -1.878 2.999 -0.364) 3.557 6.458 ( 1.161 -2.722 2.876) 4.127 6.474 ( 2.153 -1.408 3.818) 4.604 6.544 ( 0.085 -2.149 0.168) 2.157 6.635 ( -6.067 1.371 1.302) 6.354 6.739 ( -2.657 2.588 2.443) 4.442 6.747 ( -3.689 -0.864 4.269) 5.708 6.793 ( -0.028 1.718 0.157) 1.725 6.900 ( -1.516 1.171 -2.478) 3.132 6.940 ( -2.091 -1.627 3.049) 4.039 7.096 ( -1.501 -0.066 0.663) 1.643 7.166 ( 2.296 0.316 -2.247) 3.228 7.213 ( -3.353 -2.165 -1.382) 4.224 7.293 ( 1.579 -1.044 1.450) 2.384 7.345 ( -1.430 2.442 -0.807) 2.943 7.422 ( -0.620 0.327 -3.384) 3.455 7.561 ( -0.178 1.157 -0.566) 1.300 7.625 ( -1.016 -1.086 1.067) 1.830 7.669 ( -1.474 3.463 0.797) 3.847 7.750 ( 2.259 0.908 -2.041) 3.177 9.646 ( 0.283 1.978 0.038) 1.998 9.664 ( 1.172 1.577 0.169) 1.972 9.866 ( 0.326 1.044 0.312) 1.137 9.893 ( 1.125 0.662 -0.445) 1.379 10.265 ( 0.346 -3.534 0.846) 3.650 10.283 ( 0.368 -4.320 -0.765) 4.402 11.838 ( -9.800 7.668 0.920) 12.478 12.010 ( -4.924 3.224 0.859) 5.948 12.594 ( 1.409 3.605 2.783) 4.767 12.733 ( 1.017 0.514 -1.348) 1.765 12.800 ( 0.157 -0.692 -1.678) 1.822 12.828 ( 1.810 -0.916 -1.164) 2.339 12.888 ( 1.148 1.700 -0.183) 2.060 13.066 ( 4.774 -1.635 -0.754) 5.102 13.131 ( 1.970 -1.870 -3.016) 4.059 13.186 ( 6.751 -6.830 4.548) 10.626======================= Grid point 65 (33/60) =======================q-point: ( 0.29 0.29 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.328 ( 10.116 10.050 2.047) 14.405 1.610 ( 7.076 7.688 4.156) 11.245 1.715 ( 10.232 7.884 -11.673) 17.410 1.810 ( 6.078 10.560 -2.521) 12.442 1.907 ( 6.184 12.107 12.101) 18.200 2.200 ( 3.378 10.590 8.005) 13.698 2.247 ( -1.788 -2.586 -6.161) 6.916 2.393 ( 2.047 -0.975 -1.538) 2.740 2.430 ( -2.153 -1.183 1.285) 2.772 2.535 ( -1.590 -5.581 -6.383) 8.626 2.660 ( 2.200 0.019 -6.078) 6.464 2.763 ( -8.829 2.458 2.732) 9.563 2.768 ( 0.692 -0.401 4.150) 4.227 2.899 ( 1.397 -0.642 2.740) 3.142 2.941 ( 3.334 -0.401 -3.687) 4.987 3.035 ( 7.081 -2.927 0.823) 7.706 3.039 ( 4.678 -1.668 -3.387) 6.011 3.139 ( -2.302 -1.269 -0.301) 2.646 3.212 ( -1.593 -3.090 -4.649) 5.805 3.275 ( -3.414 -2.105 2.063) 4.510 3.281 ( 4.502 -4.386 4.198) 7.559 3.333 ( 0.797 -2.146 4.612) 5.149 3.396 ( -5.769 -1.656 -2.866) 6.651 3.469 ( 0.360 -0.016 1.028) 1.090 3.544 ( -2.339 -3.053 -2.091) 4.378 3.606 ( -0.185 -2.023 -3.026) 3.645 3.655 ( 6.360 2.518 -3.207) 7.555 3.695 ( 0.630 1.310 4.752) 4.969 3.788 ( 1.036 -2.459 -4.942) 5.616 3.827 ( 3.848 0.316 0.258) 3.869 3.957 ( -1.814 -3.248 -1.244) 3.923 3.989 ( -1.556 -2.316 4.077) 4.940 4.045 ( 1.360 1.135 6.794) 7.021 4.108 ( 1.801 -0.348 2.040) 2.743 4.177 ( -2.422 -4.355 -7.854) 9.302 4.210 ( 7.534 -0.697 -0.424) 7.578 4.307 ( 3.768 -2.730 -0.498) 4.680 4.407 ( 2.888 1.061 1.577) 3.457 4.452 ( 1.459 0.417 -0.100) 1.520 4.463 ( -1.631 -3.377 -2.881) 4.729 4.600 ( -1.054 1.155 -4.494) 4.758 4.666 ( -2.818 -2.940 2.263) 4.659 4.714 ( -0.861 -1.504 3.092) 3.544 4.735 ( -3.079 -1.851 0.272) 3.603 4.782 ( 0.098 1.366 3.029) 3.324 4.829 ( -0.833 2.798 -0.166) 2.924 4.888 ( 2.785 -4.937 0.890) 5.738 4.945 ( 0.696 -6.318 -5.220) 8.225 4.972 ( -1.739 -2.735 1.998) 3.807 5.042 ( -0.010 3.833 -0.464) 3.861 5.050 ( 4.110 -4.052 6.442) 8.649 5.165 ( 3.527 3.842 2.442) 5.758 5.167 ( 1.140 -1.063 2.591) 3.024 5.192 ( -2.394 -1.021 1.134) 2.839 5.256 ( -0.507 -0.061 -0.009) 0.510 5.316 ( -3.212 6.767 2.072) 7.772 5.359 ( -2.142 2.292 -1.787) 3.611 5.381 ( -3.210 0.687 -3.118) 4.528 5.435 ( 3.462 0.113 -1.586) 3.810 5.489 ( 2.805 2.546 0.130) 3.790 5.571 ( -1.971 3.220 -0.574) 3.819 5.624 ( 1.498 -1.195 -2.193) 2.912 5.652 ( 1.887 -0.358 -2.163) 2.893 5.747 ( 1.619 1.220 -3.745) 4.259 5.813 ( -3.770 6.605 -1.695) 7.792 5.906 ( 5.752 -3.149 0.727) 6.598 5.978 ( -2.559 -2.410 4.175) 5.458 6.055 ( -3.733 4.423 -3.155) 6.592 6.070 ( -3.383 -0.545 2.291) 4.122 6.071 ( -2.989 -3.334 0.855) 4.558 6.163 ( -3.623 1.185 -0.119) 3.814 6.228 ( -0.339 -1.435 1.394) 2.029 6.301 ( 1.423 -0.292 2.059) 2.520 6.488 ( -4.827 -2.049 -0.688) 5.289 6.528 ( -0.492 -1.645 -1.934) 2.586 6.541 ( -2.044 -0.011 3.840) 4.350 6.614 ( 4.231 2.207 0.034) 4.773 6.661 ( -7.678 -0.016 1.121) 7.760 6.734 ( -0.071 -1.115 1.307) 1.719 6.820 ( 0.828 0.515 2.747) 2.914 6.837 ( 0.594 0.934 -4.704) 4.832 6.910 ( -3.475 -3.014 -1.192) 4.752 7.073 ( -1.305 0.710 0.381) 1.534 7.139 ( -3.186 -3.620 0.119) 4.824 7.174 ( 2.172 5.540 -2.200) 6.345 7.296 ( -0.533 2.735 -0.592) 2.848 7.335 ( -1.742 1.226 1.877) 2.839 7.374 ( 0.240 0.304 -3.469) 3.490 7.569 ( 0.055 -0.073 -0.294) 0.308 7.634 ( -0.718 -0.569 1.531) 1.784 7.649 ( -0.863 1.938 3.161) 3.807 7.747 ( -0.209 -0.310 -2.725) 2.751 9.659 ( 1.009 2.154 0.030) 2.379 9.686 ( 0.748 1.554 0.353) 1.761 9.882 ( 0.797 1.009 0.419) 1.353 9.906 ( 0.791 0.640 -0.585) 1.174 10.275 ( 0.684 -4.122 -0.367) 4.195 10.291 ( 0.370 -4.308 0.359) 4.338 11.697 ( -5.944 6.453 0.586) 8.793 11.896 ( -8.713 0.321 1.422) 8.834 12.624 ( 0.886 5.100 -1.835) 5.492 12.746 ( 0.981 7.523 2.051) 7.859 12.791 ( -0.396 -1.515 -0.600) 1.677 12.865 ( 2.814 -2.483 0.415) 3.776 12.925 ( 2.885 1.198 -0.375) 3.146 13.132 ( 3.291 -1.498 -0.254) 3.625 13.148 ( 3.790 -3.166 -3.203) 5.886 13.331 ( 4.632 -8.243 1.333) 9.549======================= Grid point 66 (34/60) =======================q-point: ( 0.43 0.29 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( 4.243 6.563 -2.526) 8.213 1.632 ( -4.634 3.827 -3.607) 7.009 1.779 ( 10.614 6.417 -1.192) 12.460 1.932 ( -0.086 4.757 3.187) 5.727 2.135 ( 7.547 5.385 6.806) 11.502 2.191 ( 3.332 4.608 -5.776) 8.105 2.274 ( -6.123 8.703 3.422) 11.177 2.374 ( -1.155 -4.608 -4.240) 6.367 2.474 ( 3.447 5.099 6.304) 8.810 2.515 ( 4.550 0.933 3.046) 5.555 2.639 ( -3.757 2.729 0.489) 4.670 2.719 ( 5.562 2.189 -3.133) 6.748 2.779 ( -4.314 4.302 -2.513) 6.590 2.873 ( -5.263 1.694 -1.430) 5.711 2.960 ( -4.061 -5.274 4.304) 7.927 3.054 ( -2.353 -4.749 -5.926) 7.950 3.088 ( 0.088 4.843 -8.054) 9.398 3.114 ( 2.230 -4.197 -1.751) 5.065 3.147 ( 4.435 -5.846 3.352) 8.067 3.247 ( 4.571 1.979 3.675) 6.190 3.280 ( -0.680 -4.547 -2.631) 5.297 3.330 ( -1.280 -3.898 -0.288) 4.113 3.407 ( 2.823 -4.686 1.602) 5.700 3.454 ( -0.868 -4.104 -1.430) 4.432 3.535 ( -4.684 -1.839 3.838) 6.329 3.591 ( -1.823 -6.397 -0.349) 6.661 3.684 ( 0.306 -1.651 -5.825) 6.062 3.745 ( 8.909 7.503 -4.499) 12.486 3.820 ( 1.457 -4.338 -0.664) 4.624 3.901 ( 1.166 -5.261 0.603) 5.423 3.917 ( 3.035 -5.867 0.723) 6.645 3.976 ( -0.188 -0.225 1.463) 1.492 4.061 ( -2.892 3.234 2.930) 5.235 4.136 ( 1.515 -4.372 -0.849) 4.705 4.201 ( -1.609 3.548 3.813) 5.451 4.261 ( 1.346 0.592 -3.369) 3.676 4.317 ( 0.778 -1.102 -7.366) 7.488 4.397 ( 1.899 1.619 2.642) 3.634 4.490 ( 2.876 0.610 -0.384) 2.965 4.543 ( -0.063 0.154 -4.415) 4.418 4.576 ( -1.107 1.954 1.173) 2.534 4.650 ( -1.889 -0.377 4.378) 4.783 4.680 ( -4.472 -6.609 2.772) 8.447 4.719 ( 3.568 -2.515 -0.096) 4.366 4.798 ( -2.879 1.582 5.061) 6.034 4.854 ( 1.484 -3.370 -0.762) 3.761 4.903 ( 0.306 -2.967 -5.057) 5.871 4.926 ( 4.122 0.365 -0.836) 4.222 4.975 ( -3.543 -3.214 3.919) 6.184 5.015 ( -4.677 -0.070 -0.097) 4.678 5.072 ( 1.453 1.599 0.695) 2.270 5.153 ( 0.934 -1.641 -1.074) 2.173 5.195 ( -1.058 1.517 0.305) 1.874 5.203 ( -2.450 -2.701 1.171) 3.830 5.264 ( -2.506 7.686 2.649) 8.507 5.292 ( 0.385 4.258 3.476) 5.510 5.367 ( 3.381 0.487 0.296) 3.428 5.396 ( 6.915 4.279 -0.155) 8.134 5.518 ( 1.776 3.178 -3.684) 5.180 5.524 ( 0.452 -0.024 1.435) 1.505 5.539 ( -1.874 3.333 3.044) 4.887 5.660 ( -2.198 -4.054 -0.614) 4.652 5.667 ( 1.161 1.290 2.124) 2.743 5.710 ( 2.813 1.120 -2.185) 3.734 5.725 ( -0.695 1.325 -0.055) 1.497 5.898 ( -7.208 1.190 -0.362) 7.315 5.956 ( -0.163 -3.009 -4.520) 5.433 5.975 ( -3.841 -1.321 2.531) 4.786 6.020 ( 2.713 -0.864 0.858) 2.974 6.089 ( 1.153 -2.561 7.230) 7.756 6.155 ( -0.490 1.200 -1.539) 2.012 6.266 ( 0.530 -1.641 2.663) 3.172 6.355 ( -3.673 6.365 0.464) 7.363 6.419 ( 1.464 -2.503 1.033) 3.078 6.470 ( -1.737 -3.568 -2.851) 4.886 6.521 ( -7.462 -2.768 3.243) 8.594 6.533 ( -0.566 -1.828 0.812) 2.079 6.700 ( 2.448 3.157 -3.243) 5.146 6.713 ( 2.098 -0.852 -4.212) 4.782 6.803 ( -0.032 0.460 -3.107) 3.141 6.835 ( 0.252 -3.541 -4.316) 5.588 6.870 ( -0.718 0.202 2.049) 2.181 7.046 ( -1.230 -0.151 0.710) 1.428 7.106 ( -1.603 0.374 1.512) 2.235 7.203 ( 2.272 5.064 -1.137) 5.666 7.297 ( -2.075 2.636 -1.050) 3.515 7.302 ( -0.021 1.600 2.378) 2.866 7.368 ( 2.138 0.393 -1.917) 2.898 7.542 ( -1.069 1.035 -0.337) 1.525 7.649 ( -1.471 1.127 0.261) 1.872 7.679 ( -0.081 -0.323 2.836) 2.856 7.702 ( 0.326 -1.799 -1.895) 2.633 9.679 ( 0.969 2.061 0.266) 2.293 9.695 ( -0.286 1.790 0.375) 1.851 9.898 ( 0.165 0.939 0.445) 1.052 9.911 ( 0.598 0.702 -0.434) 1.019 10.285 ( 0.718 -4.418 -0.270) 4.484 10.295 ( -0.245 -4.373 0.061) 4.380 11.642 ( -1.490 5.339 1.568) 5.760 11.768 ( -4.748 0.698 -0.661) 4.845 12.634 ( 1.760 5.900 -0.040) 6.157 12.749 ( -1.286 6.089 -1.403) 6.380 12.795 ( 0.255 0.738 1.785) 1.948 12.889 ( 0.418 -0.655 -2.006) 2.151 12.984 ( 1.318 -0.245 3.012) 3.297 13.151 ( 1.434 -1.162 -2.763) 3.323 13.218 ( 3.462 -5.736 1.502) 6.866 13.380 ( 0.717 -7.939 -1.148) 8.054======================= Grid point 67 (35/60) =======================q-point: (-0.43 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( -5.785 6.112 -1.759) 8.598 1.500 ( 0.752 7.586 -3.099) 8.229 1.792 ( -12.594 8.203 -1.941) 15.155 2.009 ( 6.708 1.292 5.154) 8.557 2.140 ( -6.774 2.734 -3.073) 7.925 2.161 ( -0.077 7.354 -0.310) 7.361 2.323 ( -0.439 3.817 7.734) 8.636 2.431 ( 8.386 4.413 3.829) 10.221 2.510 ( -6.316 2.825 -8.035) 10.604 2.576 ( 0.245 -1.938 2.391) 3.088 2.619 ( -6.012 4.741 5.788) 9.598 2.677 ( 1.590 2.272 1.365) 3.091 2.720 ( 9.959 2.866 -6.148) 12.050 2.845 ( 1.835 0.380 -4.386) 4.769 2.897 ( -5.757 -2.032 6.447) 8.879 3.016 ( 1.741 -1.141 -6.021) 6.371 3.033 ( -0.086 0.128 -5.449) 5.451 3.147 ( -1.915 -7.757 -0.619) 8.014 3.196 ( -2.957 -2.415 -0.797) 3.900 3.252 ( -0.206 -1.148 -1.417) 1.835 3.261 ( 2.357 -3.156 -0.478) 3.968 3.317 ( -2.452 -4.550 -1.653) 5.427 3.437 ( -5.393 -1.163 7.594) 9.387 3.487 ( 2.986 -6.883 -1.785) 7.712 3.548 ( 1.146 -0.038 -2.195) 2.476 3.586 ( 6.922 -5.017 5.536) 10.185 3.613 ( -5.720 -1.188 -2.780) 6.469 3.709 ( -3.767 -1.924 -5.682) 7.084 3.797 ( -4.152 -2.498 0.684) 4.893 3.882 ( -3.761 -2.159 1.411) 4.560 3.954 ( -0.192 3.807 -0.667) 3.869 3.996 ( 0.304 -6.322 -0.189) 6.332 4.050 ( 1.056 -2.189 -1.076) 2.657 4.150 ( 1.431 -0.633 -0.419) 1.620 4.253 ( 2.266 0.830 -5.963) 6.433 4.270 ( 0.437 2.273 -5.316) 5.798 4.308 ( 3.725 -2.172 5.719) 7.163 4.413 ( 0.469 0.447 3.142) 3.208 4.480 ( -1.554 0.910 -2.684) 3.232 4.496 ( 3.151 -0.505 -0.440) 3.222 4.566 ( 0.273 1.368 1.437) 2.003 4.598 ( -1.357 1.689 5.196) 5.629 4.685 ( -3.138 -2.577 -0.416) 4.082 4.769 ( -1.506 2.901 0.850) 3.377 4.809 ( 3.736 -2.930 -1.848) 5.095 4.859 ( 0.457 -0.826 2.131) 2.330 4.905 ( -0.543 1.258 2.077) 2.488 4.929 ( -1.638 -4.599 -3.369) 5.932 4.971 ( 0.587 -4.034 3.236) 5.205 4.995 ( 4.026 -2.420 -2.680) 5.407 5.089 ( -5.010 1.037 -0.574) 5.149 5.133 ( -1.731 0.949 1.363) 2.399 5.178 ( -1.558 0.715 -0.413) 1.764 5.185 ( -0.411 -2.901 2.467) 3.830 5.288 ( 1.858 3.700 3.381) 5.346 5.363 ( -6.718 1.568 1.996) 7.181 5.376 ( -0.542 -0.009 2.293) 2.357 5.428 ( 1.052 3.122 0.745) 3.378 5.481 ( -1.342 0.076 -1.893) 2.321 5.519 ( 1.385 1.899 -2.369) 3.337 5.568 ( 2.985 3.855 0.579) 4.910 5.592 ( -4.213 1.734 1.368) 4.757 5.724 ( 1.026 -0.354 0.538) 1.211 5.752 ( 1.816 0.713 0.294) 1.973 5.779 ( 2.612 1.675 1.583) 3.483 5.898 ( 1.880 1.264 -0.616) 2.347 5.926 ( 3.698 0.005 -1.127) 3.866 5.976 ( 5.966 -1.169 -0.449) 6.096 6.079 ( 1.528 -2.398 -0.337) 2.863 6.105 ( -0.327 2.209 -2.355) 3.245 6.183 ( -0.116 -0.361 5.829) 5.841 6.241 ( -2.851 1.547 0.735) 3.326 6.338 ( -1.885 0.243 4.903) 5.259 6.411 ( 0.151 -1.010 0.761) 1.273 6.449 ( 0.707 -2.988 -0.878) 3.193 6.512 ( 0.259 -3.083 1.873) 3.617 6.552 ( 2.122 -2.682 -1.323) 3.667 6.640 ( -0.596 -2.181 -3.279) 3.983 6.658 ( -4.440 -0.447 -0.944) 4.561 6.783 ( -0.836 -2.333 -7.126) 7.545 6.817 ( -1.628 4.671 -2.501) 5.543 6.868 ( 5.115 1.182 0.521) 5.275 7.074 ( 0.506 -0.699 1.908) 2.094 7.117 ( 1.802 -1.460 1.866) 2.977 7.209 ( -0.313 2.584 -1.049) 2.806 7.273 ( 1.957 4.117 -1.531) 4.808 7.317 ( -1.143 -0.255 0.654) 1.341 7.397 ( 2.429 0.792 -1.337) 2.884 7.552 ( 0.839 3.135 1.381) 3.527 7.588 ( -1.561 0.874 -1.420) 2.284 7.668 ( -2.287 0.337 1.459) 2.734 7.753 ( 3.422 -1.642 -0.119) 3.798 9.684 ( -1.189 2.091 0.215) 2.415 9.694 ( 0.112 1.392 0.419) 1.459 9.893 ( -0.899 1.042 0.275) 1.403 9.918 ( 0.300 0.659 -0.256) 0.768 10.281 ( -0.902 -3.980 -0.220) 4.087 10.295 ( 0.360 -4.698 0.012) 4.711 11.659 ( 0.431 4.553 2.098) 5.032 11.747 ( 4.342 2.133 -1.198) 4.984 12.659 ( -2.091 6.316 0.062) 6.653 12.710 ( 1.130 5.080 -0.844) 5.272 12.816 ( -0.023 1.056 1.472) 1.812 12.863 ( -0.458 -0.027 -1.722) 1.782 13.017 ( -1.278 -0.221 3.214) 3.465 13.128 ( -0.389 -0.742 -3.114) 3.224 13.280 ( 0.065 -6.180 3.178) 6.950 13.332 ( -3.390 -9.079 -3.299) 10.238======================= Grid point 68 (36/60) =======================q-point: (-0.29 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( -7.525 11.145 2.060) 13.605 1.478 ( -9.280 18.071 -3.440) 20.604 1.571 ( -6.121 5.524 2.367) 8.578 1.892 ( -7.094 4.726 0.410) 8.533 2.092 ( -9.351 4.592 7.779) 13.002 2.274 ( 4.241 1.107 -0.780) 4.452 2.326 ( 0.562 3.885 -7.751) 8.688 2.390 ( -1.551 -2.849 2.762) 4.260 2.523 ( -1.306 4.269 -4.779) 6.540 2.559 ( 0.557 0.122 0.351) 0.669 2.634 ( 1.137 7.130 -7.558) 10.452 2.719 ( -10.072 -8.631 2.866) 13.570 2.769 ( 0.094 5.805 3.564) 6.813 2.819 ( 1.594 -1.307 1.504) 2.552 2.862 ( -0.306 2.979 3.099) 4.309 2.912 ( 4.452 7.335 -4.291) 9.593 3.005 ( -8.086 3.919 0.719) 9.015 3.082 ( 2.071 -5.106 -2.163) 5.920 3.186 ( 1.434 0.098 4.182) 4.422 3.190 ( -1.150 -8.155 -5.350) 9.821 3.292 ( 0.728 -0.657 3.264) 3.408 3.325 ( 2.325 -5.836 0.086) 6.282 3.441 ( 1.127 -4.331 0.587) 4.514 3.476 ( -1.744 2.327 -2.265) 3.686 3.506 ( -0.817 -4.865 2.284) 5.436 3.546 ( -3.398 1.481 -3.294) 4.959 3.570 ( -2.926 -2.576 -0.141) 3.901 3.740 ( 2.181 -8.035 1.239) 8.417 3.792 ( 2.136 -4.037 2.577) 5.244 3.863 ( -4.272 -1.699 -6.866) 8.263 3.906 ( -1.598 -5.970 4.767) 7.805 3.995 ( 0.939 -5.699 -0.814) 5.832 4.028 ( -2.858 -0.235 3.919) 4.856 4.110 ( -3.165 -3.342 -1.911) 4.983 4.230 ( 2.242 -4.631 -3.162) 6.040 4.242 ( 3.598 0.572 -3.102) 4.785 4.357 ( -0.887 -4.005 1.996) 4.562 4.433 ( -1.509 -1.424 -1.033) 2.318 4.483 ( 2.190 4.847 -2.615) 5.927 4.564 ( 1.554 -2.629 -1.584) 3.440 4.639 ( -3.399 0.755 7.045) 7.859 4.665 ( 7.219 1.515 -0.421) 7.388 4.678 ( -1.145 1.970 4.162) 4.745 4.753 ( -0.984 4.296 -5.857) 7.330 4.763 ( -2.041 -0.642 -3.140) 3.800 4.875 ( 2.900 0.842 1.841) 3.537 4.906 ( -0.823 -2.777 1.926) 3.479 4.954 ( 1.849 -1.126 -0.291) 2.184 4.965 ( -2.369 -2.547 3.109) 4.666 5.023 ( 1.687 -1.365 1.267) 2.513 5.054 ( -0.769 2.436 2.084) 3.297 5.101 ( -1.218 -1.340 3.237) 3.709 5.155 ( -1.369 -0.909 1.182) 2.024 5.213 ( -3.862 -2.536 1.211) 4.776 5.268 ( 1.550 0.432 1.256) 2.041 5.342 ( -3.883 3.384 -2.792) 5.859 5.354 ( 0.562 -1.499 -0.117) 1.605 5.432 ( 1.858 3.970 -4.027) 5.952 5.469 ( -0.160 1.663 2.545) 3.044 5.521 ( -1.600 -1.811 2.003) 3.139 5.559 ( 3.156 1.317 0.605) 3.473 5.608 ( 0.202 2.096 -0.361) 2.136 5.684 ( -0.761 0.123 -4.104) 4.176 5.749 ( -0.449 2.113 -8.548) 8.816 5.788 ( 0.508 3.667 -0.149) 3.705 5.926 ( 1.996 4.144 2.061) 5.041 5.973 ( 1.424 0.754 -2.811) 3.240 6.037 ( -0.985 -3.890 2.092) 4.525 6.132 ( 0.377 1.851 -1.682) 2.529 6.164 ( -0.229 -0.639 -0.706) 0.979 6.220 ( -0.093 -4.267 2.963) 5.196 6.255 ( 5.663 4.114 8.358) 10.901 6.365 ( 1.175 -0.221 1.056) 1.595 6.410 ( -3.141 -0.489 0.916) 3.308 6.457 ( 2.124 -1.392 -4.206) 4.913 6.528 ( 1.796 -2.016 0.531) 2.752 6.543 ( -1.422 -0.944 0.512) 1.782 6.604 ( 0.418 1.622 1.358) 2.157 6.676 ( 1.480 -4.092 -0.029) 4.352 6.705 ( 1.251 -0.323 0.605) 1.426 6.804 ( 2.863 2.118 -2.434) 4.314 6.932 ( 1.063 -0.067 0.137) 1.074 7.091 ( 0.431 -1.029 0.809) 1.378 7.167 ( 1.533 0.016 -2.093) 2.595 7.203 ( 1.718 -1.429 0.619) 2.318 7.272 ( -2.844 -1.214 -0.989) 3.247 7.334 ( 4.213 3.049 0.333) 5.211 7.408 ( 1.598 0.867 -3.183) 3.666 7.547 ( 0.506 2.881 0.555) 2.977 7.628 ( 1.266 1.136 2.696) 3.188 7.656 ( 0.436 2.926 0.620) 3.022 7.787 ( 1.054 -0.849 -1.681) 2.158 9.662 ( -1.315 2.384 0.080) 2.723 9.690 ( -1.001 0.835 0.319) 1.342 9.878 ( -0.975 1.084 0.284) 1.486 9.911 ( -0.599 0.691 -0.457) 1.023 10.260 ( -1.054 -3.552 -0.151) 3.709 10.300 ( 0.085 -4.772 0.142) 4.774 11.712 ( 4.192 5.943 0.651) 7.302 11.883 ( 9.877 2.836 1.430) 10.375 12.581 ( -3.753 7.062 -1.003) 8.060 12.739 ( -0.019 0.393 0.298) 0.494 12.828 ( -0.282 1.209 1.207) 1.731 12.846 ( 0.316 2.271 -1.056) 2.524 13.015 ( -2.459 -0.127 3.005) 3.885 13.077 ( -1.126 -0.668 -3.376) 3.621 13.169 ( -9.318 -9.355 -4.576) 13.974 13.292 ( -2.905 -5.680 2.935) 7.023======================= Grid point 69 (37/60) =======================q-point: (-0.14 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( -7.709 16.725 2.610) 18.600 1.287 ( -6.535 23.896 -0.785) 24.786 1.478 ( -4.393 7.133 1.560) 8.521 1.747 ( -9.704 4.040 -2.133) 10.726 2.027 ( -18.199 19.006 6.406) 27.083 2.126 ( 0.400 2.472 -1.731) 3.044 2.240 ( 2.687 -0.227 -3.460) 4.387 2.394 ( 0.488 -3.380 -1.176) 3.612 2.523 ( -1.017 4.646 -1.365) 4.948 2.567 ( 0.589 1.598 -1.288) 2.136 2.616 ( -5.699 -4.510 4.020) 8.306 2.663 ( 10.297 1.165 -3.729) 11.013 2.740 ( 0.800 0.917 3.754) 3.946 2.770 ( -2.687 -5.917 -8.473) 10.678 2.902 ( 0.175 7.082 2.057) 7.377 2.977 ( 2.255 -2.939 -4.503) 5.830 3.043 ( 0.079 -3.706 1.691) 4.074 3.072 ( 0.847 -1.785 3.200) 3.761 3.189 ( 1.483 2.791 5.076) 5.980 3.239 ( -0.014 -4.706 1.792) 5.036 3.338 ( 3.046 -1.848 0.549) 3.605 3.371 ( -4.169 1.627 -5.661) 7.216 3.414 ( 2.434 -4.415 2.983) 5.858 3.447 ( -1.836 -1.459 1.182) 2.626 3.522 ( 5.068 -1.761 1.532) 5.579 3.532 ( -1.676 -6.463 3.770) 7.667 3.558 ( -0.988 -1.354 5.426) 5.679 3.711 ( -1.669 -2.979 -4.824) 5.910 3.752 ( -0.240 -5.860 -0.132) 5.867 3.842 ( -0.228 -2.234 0.715) 2.357 3.896 ( -8.649 -2.353 2.744) 9.374 3.998 ( -1.715 -4.545 4.513) 6.631 4.050 ( 4.826 -2.178 -3.812) 6.524 4.082 ( 0.718 -6.223 0.561) 6.289 4.228 ( 0.727 -6.409 -3.298) 7.244 4.273 ( 1.676 -1.428 -1.374) 2.596 4.344 ( -3.125 -4.379 -3.332) 6.328 4.407 ( -0.199 -0.373 -6.101) 6.115 4.458 ( 0.959 3.347 -4.351) 5.572 4.488 ( 0.044 3.930 -0.402) 3.950 4.597 ( -2.913 1.984 0.318) 3.539 4.647 ( 1.511 -1.725 -3.785) 4.426 4.701 ( -1.244 1.432 4.547) 4.926 4.763 ( 1.667 -3.277 -2.862) 4.659 4.790 ( 1.753 -0.323 1.268) 2.187 4.852 ( -4.163 -1.895 3.599) 5.821 4.916 ( -2.909 0.317 -2.497) 3.847 4.961 ( 3.177 -2.194 2.095) 4.392 5.048 ( -0.963 3.559 3.553) 5.120 5.055 ( 6.774 -0.103 -1.163) 6.874 5.070 ( -4.433 0.391 0.571) 4.487 5.111 ( -3.068 -1.211 -0.787) 3.391 5.144 ( -2.542 -0.176 4.402) 5.087 5.195 ( 3.191 -2.512 2.359) 4.696 5.259 ( -0.451 2.624 -0.766) 2.770 5.289 ( -3.229 1.273 2.036) 4.024 5.364 ( 3.621 -0.856 -2.873) 4.701 5.432 ( 3.034 0.946 -1.373) 3.462 5.529 ( -3.080 0.853 3.657) 4.857 5.556 ( 2.501 -0.277 -4.442) 5.105 5.560 ( 0.511 -1.891 -0.277) 1.978 5.601 ( 2.877 3.056 -7.738) 8.803 5.650 ( 0.782 5.997 -6.410) 8.812 5.662 ( 2.861 0.763 2.094) 3.627 5.820 ( 2.117 1.838 -0.346) 2.825 5.914 ( -2.677 3.491 -2.561) 5.090 5.972 ( -0.945 0.276 4.193) 4.307 6.008 ( -4.601 2.170 -1.906) 5.432 6.051 ( -7.429 -1.245 6.341) 9.846 6.138 ( 0.840 -0.789 -1.818) 2.153 6.243 ( -1.854 -2.106 0.459) 2.843 6.303 ( -1.013 -3.246 1.316) 3.646 6.378 ( 0.347 -2.204 -5.667) 6.090 6.424 ( 3.364 0.812 1.813) 3.906 6.505 ( -1.383 0.668 0.641) 1.664 6.545 ( 2.658 1.541 4.456) 5.413 6.607 ( 5.261 1.870 2.769) 6.232 6.668 ( 4.655 2.723 -0.002) 5.394 6.696 ( 0.422 -1.213 2.061) 2.429 6.792 ( 0.719 -1.768 6.204) 6.491 6.852 ( 2.519 0.254 -0.430) 2.569 6.925 ( 1.204 -0.524 -1.477) 1.976 7.102 ( -1.044 -2.043 1.244) 2.610 7.134 ( -0.771 -1.005 -3.065) 3.316 7.221 ( -1.353 -1.289 0.760) 2.017 7.276 ( 3.764 -2.339 0.441) 4.453 7.372 ( 0.767 1.513 -2.214) 2.789 7.423 ( 3.177 0.839 -1.792) 3.742 7.569 ( 0.090 3.179 -0.111) 3.183 7.668 ( 1.332 2.346 0.589) 2.761 7.684 ( 0.417 2.686 1.542) 3.125 7.763 ( 0.132 -1.154 -3.333) 3.529 9.644 ( -0.558 2.610 0.058) 2.670 9.670 ( -1.255 0.850 0.139) 1.523 9.868 ( -0.510 0.995 0.421) 1.194 9.892 ( -0.746 0.884 -0.541) 1.277 10.246 ( -0.503 -3.169 0.301) 3.223 10.299 ( -0.120 -4.742 -0.232) 4.749 11.816 ( 5.863 8.433 0.694) 10.294 12.124 ( 13.611 0.677 1.520) 13.712 12.537 ( -1.018 4.758 1.677) 5.146 12.690 ( -5.870 0.887 -1.136) 6.045 12.794 ( -5.771 -2.552 -1.079) 6.402 12.837 ( -0.394 1.090 -1.792) 2.134 12.921 ( -4.846 -2.512 -2.434) 5.976 12.999 ( -3.485 -0.510 2.434) 4.281 13.064 ( 0.185 0.759 0.303) 0.838 13.244 ( -4.590 -4.194 1.014) 6.300======================= Grid point 70 (38/60) =======================q-point: ( 0.00 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.374 ( -4.305 5.713 -3.642) 8.027 1.380 ( 1.144 4.237 -3.765) 5.782 1.733 ( 1.052 14.531 1.364) 14.633 1.914 ( -1.955 7.048 -1.213) 7.414 2.050 ( 4.742 2.580 2.191) 5.826 2.099 ( -5.372 5.309 -4.935) 9.022 2.242 ( -0.562 -5.420 -0.388) 5.463 2.278 ( 0.858 -8.975 -2.626) 9.391 2.434 ( 3.744 0.286 7.867) 8.717 2.527 ( 3.879 -9.191 7.477) 12.467 2.690 ( 1.058 2.152 3.505) 4.247 2.782 ( 0.189 -7.624 -0.640) 7.654 2.823 ( 4.655 5.488 1.646) 7.382 2.857 ( 5.471 1.522 2.297) 6.126 2.881 ( -1.807 10.877 0.294) 11.030 2.968 ( -4.317 2.283 -2.971) 5.716 3.007 ( -3.829 -0.655 1.796) 4.280 3.057 ( -5.263 -3.166 -4.016) 7.338 3.158 ( 1.810 4.018 -2.308) 4.974 3.182 ( -1.011 -1.106 -4.275) 4.530 3.268 ( 1.772 -4.286 -3.644) 5.898 3.310 ( -1.753 -4.863 -3.186) 6.073 3.395 ( -1.317 2.922 0.263) 3.216 3.442 ( -2.810 1.206 2.405) 3.890 3.475 ( 1.782 5.735 -0.032) 6.006 3.624 ( -3.201 -4.280 0.342) 5.356 3.672 ( -0.048 1.113 5.114) 5.234 3.686 ( 1.188 0.022 1.974) 2.304 3.739 ( 1.021 1.967 2.892) 3.644 3.789 ( 0.174 1.996 5.242) 5.612 3.818 ( 0.293 -3.394 3.776) 5.086 3.899 ( -0.149 -1.645 3.103) 3.515 3.947 ( -1.194 -6.191 3.178) 7.061 3.976 ( 2.432 -9.530 4.128) 10.666 4.120 ( -0.038 -0.793 -2.996) 3.099 4.131 ( 1.834 -2.216 -3.571) 4.585 4.301 ( -1.298 1.191 -2.043) 2.697 4.346 ( 0.092 -2.585 -4.012) 4.774 4.479 ( 0.692 -0.976 -1.589) 1.989 4.504 ( -2.036 -3.932 -0.032) 4.428 4.584 ( 2.562 4.598 -0.858) 5.333 4.661 ( -0.591 -0.564 1.009) 1.298 4.683 ( -0.279 2.372 -5.044) 5.581 4.723 ( 1.213 -1.308 -2.135) 2.782 4.788 ( 0.034 -0.325 -0.557) 0.645 4.856 ( 2.325 0.881 -2.318) 3.399 4.908 ( -1.367 -0.721 1.748) 2.333 4.931 ( -1.622 -2.553 -2.540) 3.950 5.021 ( 0.183 2.222 -5.709) 6.129 5.058 ( 1.172 -1.146 1.687) 2.352 5.078 ( -0.539 1.162 1.037) 1.648 5.112 ( 0.217 1.983 -2.744) 3.393 5.122 ( -1.049 -4.863 -4.002) 6.384 5.165 ( -1.139 -2.508 -0.651) 2.830 5.243 ( 0.611 2.626 0.397) 2.725 5.310 ( 3.405 -2.647 -1.917) 4.720 5.418 ( 0.092 3.063 -0.622) 3.127 5.462 ( -1.379 0.923 1.064) 1.971 5.473 ( -1.672 0.226 -1.356) 2.164 5.503 ( -2.975 -0.021 2.554) 3.921 5.629 ( 0.150 1.715 -3.512) 3.911 5.637 ( 3.914 1.033 -1.003) 4.171 5.717 ( 1.305 2.607 1.034) 3.094 5.779 ( 2.639 -1.058 2.972) 4.113 5.833 ( -1.121 3.791 -1.644) 4.282 5.888 ( -3.459 -1.623 0.106) 3.822 5.960 ( -1.787 -0.358 -1.362) 2.275 5.980 ( 3.126 -2.471 -0.090) 3.986 6.044 ( -2.565 1.655 5.124) 5.965 6.082 ( 0.357 -2.230 2.399) 3.295 6.266 ( 2.452 2.261 1.386) 3.612 6.303 ( 5.055 -0.453 -0.672) 5.120 6.337 ( -1.073 0.484 0.954) 1.515 6.378 ( -3.196 -3.332 -0.469) 4.641 6.495 ( -2.298 2.846 -1.665) 4.019 6.551 ( -1.833 -2.437 -3.127) 4.368 6.720 ( -0.544 1.364 3.533) 3.826 6.743 ( -1.835 0.327 1.995) 2.730 6.778 ( -0.320 0.292 3.877) 3.901 6.795 ( -0.813 -1.420 2.962) 3.384 6.932 ( 2.779 3.529 3.017) 5.411 6.978 ( 0.991 -0.073 2.722) 2.897 7.053 ( -0.865 0.461 -1.426) 1.730 7.099 ( -0.113 -2.180 -1.177) 2.480 7.210 ( 0.819 -0.351 2.627) 2.774 7.240 ( -1.131 -2.848 2.197) 3.770 7.409 ( 1.768 2.621 -2.677) 4.143 7.447 ( 1.819 -0.936 -2.592) 3.302 7.613 ( -0.634 2.480 -2.453) 3.546 7.653 ( -1.567 -1.424 -4.062) 4.581 7.734 ( -0.147 1.300 0.740) 1.503 7.743 ( 1.057 0.215 0.223) 1.101 9.680 ( -0.172 1.134 0.088) 1.150 9.682 ( -0.023 1.084 0.022) 1.085 9.882 ( -0.091 0.810 -0.068) 0.818 9.891 ( 0.199 -0.021 -0.510) 0.548 10.200 ( 0.053 -1.277 0.467) 1.360 10.214 ( -0.104 -2.703 -0.121) 2.708 12.071 ( -0.064 7.092 0.350) 7.101 12.170 ( -2.254 -2.543 -4.274) 5.460 12.598 ( -0.441 1.881 2.596) 3.236 12.634 ( 3.524 -1.725 1.698) 4.275 12.735 ( 0.523 0.685 2.469) 2.615 12.768 ( 0.072 -2.529 0.618) 2.604 12.954 ( -0.370 2.828 -0.203) 2.859 12.985 ( 0.179 -0.463 -0.144) 0.517 13.085 ( 0.157 0.717 -0.304) 0.794 13.116 ( -1.216 -2.232 -1.480) 2.941======================= Grid point 71 (39/60) =======================q-point: ( 0.14 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.374 ( 6.464 9.174 0.195) 11.225 1.469 ( 10.028 0.033 0.468) 10.039 1.859 ( 6.796 10.450 1.000) 12.505 1.916 ( 7.252 12.490 -2.986) 14.748 2.056 ( 2.617 -2.164 4.469) 5.613 2.131 ( 0.592 10.188 -0.951) 10.250 2.192 ( 1.350 -8.586 -1.766) 8.869 2.334 ( 5.314 -5.584 -2.728) 8.177 2.537 ( -4.289 3.043 -0.312) 5.269 2.577 ( -3.497 -0.960 -1.241) 3.833 2.660 ( -6.141 -2.144 -1.303) 6.634 2.712 ( -6.347 -4.659 -2.412) 8.235 2.782 ( 0.239 -1.024 4.187) 4.317 2.873 ( 2.869 -7.985 -4.217) 9.475 2.890 ( -0.230 2.221 1.426) 2.650 2.922 ( -2.119 -1.376 1.406) 2.892 3.047 ( 3.837 3.295 6.170) 7.978 3.094 ( 2.435 6.541 -1.886) 7.230 3.122 ( 3.037 -1.562 -1.252) 3.637 3.202 ( 2.109 -1.120 -3.746) 4.442 3.244 ( 3.721 1.543 -0.397) 4.048 3.325 ( -0.245 -2.732 1.348) 3.057 3.406 ( -1.102 3.534 2.952) 4.735 3.434 ( 1.993 0.401 2.209) 3.002 3.524 ( -3.629 0.812 1.994) 4.220 3.545 ( -1.529 -4.130 1.723) 4.729 3.659 ( -1.000 1.287 1.070) 1.950 3.716 ( 3.111 -2.435 0.510) 3.983 3.802 ( 0.456 4.691 3.033) 5.604 3.838 ( 1.340 0.475 2.543) 2.913 3.884 ( -0.488 0.049 0.806) 0.944 3.935 ( 2.427 -6.717 0.440) 7.156 3.977 ( 0.631 -0.301 4.361) 4.417 4.050 ( 3.070 -2.955 -1.250) 4.440 4.105 ( 0.506 3.863 1.083) 4.044 4.180 ( 4.163 -2.579 -0.482) 4.921 4.253 ( 1.106 -0.300 -4.721) 4.858 4.293 ( 0.095 -2.048 -3.230) 3.826 4.500 ( 1.288 -0.343 -1.202) 1.795 4.534 ( 3.809 -3.616 1.518) 5.467 4.586 ( -2.072 3.101 -3.777) 5.308 4.629 ( -1.541 0.604 -0.062) 1.656 4.659 ( 0.989 -6.975 3.348) 7.800 4.690 ( -2.210 -3.392 -2.956) 5.013 4.767 ( -0.765 1.396 -1.620) 2.271 4.851 ( 0.455 -6.140 -3.836) 7.254 4.858 ( -1.391 4.137 0.121) 4.367 4.899 ( -0.837 3.034 -1.927) 3.690 4.962 ( -3.791 -0.824 -3.447) 5.189 4.975 ( -3.459 -3.512 -1.482) 5.147 5.079 ( 1.160 1.553 0.365) 1.972 5.088 ( 1.626 0.933 2.034) 2.767 5.180 ( 2.830 2.599 1.502) 4.125 5.216 ( 0.565 -1.364 -0.389) 1.527 5.262 ( 3.593 -0.555 -0.737) 3.710 5.297 ( -0.890 -2.610 -3.855) 4.740 5.383 ( -1.608 0.235 0.555) 1.717 5.429 ( -3.238 -1.846 -0.211) 3.734 5.454 ( 0.119 4.050 2.646) 4.839 5.535 ( 4.111 -2.447 0.973) 4.882 5.614 ( 0.526 6.851 -0.582) 6.896 5.704 ( 3.326 0.441 -2.524) 4.198 5.723 ( -3.307 2.809 -0.300) 4.349 5.749 ( -2.024 1.519 2.064) 3.266 5.793 ( -0.639 0.237 -3.961) 4.019 5.873 ( -0.319 -6.060 1.632) 6.284 6.001 ( 5.580 3.237 -1.368) 6.594 6.043 ( -2.111 1.707 5.249) 5.909 6.048 ( 1.249 -1.392 -3.059) 3.585 6.107 ( 0.369 -2.574 1.165) 2.850 6.230 ( -2.330 2.304 -1.761) 3.720 6.284 ( -4.354 -1.903 -0.975) 4.851 6.378 ( -1.775 1.206 -3.000) 3.688 6.415 ( 3.264 -2.238 1.167) 4.126 6.452 ( -0.717 1.203 3.311) 3.595 6.498 ( 1.766 -2.572 2.432) 3.956 6.688 ( -5.909 3.776 3.389) 7.788 6.745 ( -3.450 -0.421 3.229) 4.744 6.764 ( -4.208 0.274 3.183) 5.284 6.796 ( -0.170 -2.076 1.596) 2.624 6.914 ( -4.622 2.971 -2.564) 6.063 6.961 ( -3.742 0.217 0.689) 3.811 7.080 ( 1.295 -0.919 0.597) 1.697 7.093 ( 1.262 -3.278 -1.727) 3.914 7.244 ( 0.079 1.998 1.902) 2.760 7.271 ( 1.400 -0.971 3.906) 4.262 7.399 ( 0.453 2.224 -3.889) 4.503 7.426 ( 0.186 -0.400 -4.071) 4.095 7.580 ( -0.822 0.878 -0.976) 1.549 7.600 ( -0.776 -1.186 -0.278) 1.444 7.728 ( -1.081 2.255 -0.022) 2.501 7.755 ( 0.268 -0.505 -0.688) 0.895 9.683 ( 0.495 1.479 0.142) 1.566 9.691 ( 0.831 0.729 0.107) 1.111 9.885 ( 0.506 0.822 0.023) 0.965 9.897 ( 0.833 -0.272 -0.379) 0.955 10.208 ( 0.133 -1.730 0.315) 1.763 10.213 ( 0.141 -2.280 -0.070) 2.285 11.969 ( -9.533 5.163 0.238) 10.845 12.032 ( -8.037 -1.093 -0.270) 8.115 12.674 ( 4.194 3.908 1.227) 5.863 12.725 ( 2.863 -1.286 0.453) 3.172 12.786 ( 2.574 -0.033 -0.679) 2.662 12.805 ( 4.759 -1.513 -1.693) 5.273 12.947 ( 0.142 3.503 0.413) 3.530 13.014 ( 3.269 -3.234 0.069) 4.599 13.102 ( 1.060 -0.987 -0.880) 1.694 13.105 ( 1.735 -1.646 1.596) 2.875======================= Grid point 72 (40/60) =======================q-point: ( 0.29 0.43 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( 6.413 8.710 1.121) 10.875 1.644 ( 4.573 -3.052 2.288) 5.956 1.952 ( 7.199 12.983 -5.029) 15.674 2.049 ( 1.138 11.950 -3.978) 12.646 2.124 ( 3.588 9.524 6.053) 11.841 2.163 ( 8.753 -4.209 -4.780) 10.825 2.308 ( 3.464 -7.379 0.757) 8.187 2.332 ( -2.032 -9.307 2.692) 9.899 2.446 ( -0.917 6.829 0.817) 6.939 2.486 ( -1.456 6.344 0.407) 6.522 2.611 ( 5.814 -4.984 -0.420) 7.669 2.683 ( 4.672 -7.488 2.552) 9.188 2.798 ( -4.466 2.700 -1.943) 5.569 2.879 ( -0.998 1.988 3.450) 4.105 2.912 ( 1.597 -6.433 -3.076) 7.307 2.941 ( 0.317 -4.362 3.514) 5.611 3.017 ( 2.413 2.615 -8.230) 8.966 3.092 ( 0.026 -5.399 -4.203) 6.842 3.198 ( 2.535 0.872 0.255) 2.693 3.228 ( 0.544 -1.497 3.194) 3.569 3.311 ( 1.141 4.956 -0.445) 5.105 3.335 ( -3.543 2.416 4.261) 6.045 3.385 ( -6.380 0.045 -0.027) 6.380 3.434 ( -1.534 -3.597 -1.852) 4.327 3.484 ( -0.481 -0.596 6.131) 6.179 3.530 ( -2.289 -2.783 1.694) 3.981 3.697 ( 0.730 -0.337 -0.917) 1.220 3.730 ( -0.941 -2.365 -4.166) 4.882 3.776 ( -0.213 3.538 -1.864) 4.005 3.854 ( -1.304 -2.774 -3.261) 4.476 3.931 ( 4.018 2.998 -1.693) 5.291 3.984 ( 0.588 -0.866 5.714) 5.809 4.060 ( -2.825 3.325 -0.070) 4.363 4.136 ( 11.190 3.307 -1.877) 11.818 4.149 ( 2.270 -1.836 4.989) 5.780 4.184 ( 8.337 -2.078 -4.840) 9.862 4.242 ( 0.739 0.703 -1.433) 1.759 4.327 ( 0.883 -5.586 -0.208) 5.659 4.492 ( 0.303 2.635 -5.636) 6.229 4.534 ( 3.922 5.834 2.243) 7.379 4.571 ( -3.244 -2.759 -2.769) 5.079 4.636 ( -0.677 -0.873 2.691) 2.909 4.667 ( 0.849 -1.228 2.453) 2.872 4.712 ( -0.560 -3.417 3.605) 4.998 4.752 ( -0.111 -3.530 1.838) 3.981 4.793 ( -0.103 -2.705 -0.749) 2.808 4.857 ( -0.066 0.206 -1.153) 1.173 4.889 ( -2.759 -0.116 -1.029) 2.947 4.901 ( 2.860 -0.626 -0.437) 2.960 4.964 ( 2.804 -4.059 2.115) 5.368 5.120 ( 0.488 2.771 0.530) 2.863 5.139 ( -1.570 -0.621 -1.916) 2.554 5.175 ( 0.049 0.531 3.812) 3.849 5.200 ( 1.031 -2.144 0.485) 2.428 5.287 ( -0.014 2.016 -0.878) 2.199 5.322 ( 3.027 -1.289 -0.260) 3.300 5.379 ( 0.521 -0.319 1.375) 1.504 5.405 ( 1.390 -0.354 1.974) 2.440 5.513 ( 2.380 6.355 1.086) 6.873 5.586 ( -0.381 1.102 0.291) 1.202 5.613 ( -3.649 1.403 -3.933) 5.545 5.637 ( -3.776 1.534 -2.603) 4.836 5.642 ( 3.196 3.463 -1.787) 5.040 5.745 ( 1.920 -2.475 -5.189) 6.061 5.851 ( 2.450 -1.418 3.017) 4.137 5.868 ( -2.427 -2.217 1.465) 3.599 5.949 ( -4.041 1.339 -0.738) 4.321 5.996 ( -5.227 -3.624 1.404) 6.514 6.064 ( -3.046 1.379 1.103) 3.520 6.102 ( -3.694 -1.269 -0.446) 3.931 6.205 ( -0.541 2.327 -1.133) 2.645 6.220 ( 0.732 1.231 -1.682) 2.209 6.316 ( 0.309 1.824 3.422) 3.890 6.407 ( -1.878 -6.071 0.918) 6.420 6.530 ( 0.767 3.646 3.785) 5.311 6.578 ( -6.740 1.695 2.967) 7.556 6.615 ( -0.988 -1.104 0.783) 1.676 6.658 ( -4.208 -2.319 1.961) 5.190 6.731 ( -2.151 2.596 0.137) 3.374 6.806 ( -0.521 -3.723 -3.023) 4.824 6.836 ( 0.495 1.106 -1.635) 2.035 6.863 ( -2.671 -1.678 -2.674) 4.135 7.088 ( -0.135 0.855 -0.037) 0.866 7.102 ( 0.021 -0.692 1.057) 1.263 7.278 ( 1.867 4.191 0.070) 4.588 7.322 ( 0.212 -0.378 1.937) 1.985 7.352 ( 0.165 1.254 -3.771) 3.977 7.379 ( 0.018 -0.831 -4.926) 4.996 7.578 ( -0.292 1.174 1.576) 1.986 7.608 ( -0.230 -1.594 2.786) 3.218 7.696 ( -2.088 2.229 0.297) 3.069 7.731 ( -1.721 -1.314 -1.215) 2.483 9.700 ( 1.044 1.676 0.227) 1.987 9.711 ( 1.008 0.617 0.207) 1.200 9.898 ( 0.674 0.636 0.107) 0.933 9.908 ( 0.722 -0.334 -0.361) 0.874 10.211 ( 0.339 -1.765 -0.179) 1.806 10.219 ( 0.225 -2.446 0.240) 2.469 11.812 ( -7.393 4.855 0.610) 8.866 11.880 ( -8.436 -2.048 0.845) 8.722 12.716 ( 1.027 3.583 -0.461) 3.756 12.760 ( -0.350 -1.401 0.690) 1.600 12.841 ( 2.746 1.339 -2.352) 3.856 12.864 ( 6.374 0.702 -0.321) 6.420 12.976 ( 1.746 5.344 0.405) 5.636 13.075 ( 3.511 -3.192 -1.079) 4.866 13.119 ( 1.369 -0.407 -0.867) 1.671 13.176 ( 2.529 -6.719 2.366) 7.559======================= Grid point 73 (41/60) =======================q-point: ( 0.43 0.43 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.588 ( 1.295 5.253 -1.769) 5.693 1.657 ( -1.773 -1.443 -1.434) 2.698 1.995 ( 3.722 13.524 -2.353) 14.223 2.052 ( 0.451 7.693 0.728) 7.740 2.185 ( -0.731 -5.586 -2.000) 5.978 2.225 ( 4.118 -4.418 -6.211) 8.663 2.316 ( 6.883 4.856 3.219) 9.018 2.436 ( 3.225 -2.607 3.246) 5.266 2.490 ( 0.058 6.105 7.538) 9.701 2.582 ( 1.541 2.924 7.557) 8.248 2.670 ( -5.559 2.220 1.453) 6.159 2.769 ( -0.372 0.978 1.068) 1.495 2.822 ( 3.524 -1.054 -1.719) 4.060 2.856 ( 1.303 -3.299 2.894) 4.578 2.908 ( 2.003 -0.019 -1.335) 2.407 2.940 ( -6.249 -3.195 -6.262) 9.406 3.015 ( 3.940 -4.097 -0.923) 5.759 3.034 ( 3.442 -4.100 -5.249) 7.497 3.167 ( -1.854 2.160 -6.134) 6.762 3.222 ( -3.973 0.129 -1.919) 4.414 3.268 ( 1.926 -2.343 -1.641) 3.449 3.303 ( 3.430 -2.315 -0.824) 4.219 3.349 ( -0.226 4.228 1.425) 4.467 3.424 ( -3.326 -1.377 1.769) 4.011 3.489 ( -3.727 -0.543 1.424) 4.027 3.513 ( -4.056 -2.057 3.745) 5.891 3.622 ( -0.309 -1.069 -3.667) 3.832 3.723 ( 2.102 -7.285 0.178) 7.584 3.742 ( -0.409 -0.548 -3.278) 3.348 3.787 ( -0.484 -4.508 -1.976) 4.946 3.993 ( 1.603 5.879 0.194) 6.097 4.017 ( -2.593 3.235 3.396) 5.359 4.062 ( 1.650 -2.241 1.762) 3.293 4.135 ( -2.423 -3.561 2.272) 4.869 4.228 ( 3.217 3.242 -1.174) 4.715 4.279 ( 1.452 0.034 -1.922) 2.409 4.340 ( 7.677 6.337 -2.792) 10.338 4.438 ( 8.068 0.427 -2.113) 8.351 4.481 ( 4.998 -1.360 -0.431) 5.197 4.530 ( 4.320 -4.129 1.436) 6.146 4.571 ( -2.269 0.751 -4.992) 5.534 4.591 ( -3.687 -2.152 -2.183) 4.795 4.679 ( -4.124 4.085 2.004) 6.141 4.720 ( -1.007 0.468 2.769) 2.984 4.782 ( 0.042 -1.650 1.967) 2.567 4.810 ( -2.420 0.053 0.244) 2.433 4.840 ( -1.715 -4.711 2.641) 5.666 4.849 ( 0.262 -1.627 0.725) 1.800 4.964 ( 2.638 -0.480 0.293) 2.697 4.988 ( -2.366 -2.764 -1.066) 3.791 5.108 ( -0.817 1.101 0.796) 1.586 5.131 ( -1.064 -1.247 0.905) 1.872 5.178 ( 1.295 2.386 -1.806) 3.260 5.226 ( -1.754 -0.513 0.503) 1.896 5.343 ( 4.936 0.434 0.329) 4.966 5.359 ( 6.792 0.221 1.179) 6.897 5.399 ( -3.462 4.514 -0.870) 5.755 5.458 ( -2.443 -1.815 0.120) 3.046 5.514 ( -2.559 2.283 -0.670) 3.494 5.554 ( 3.114 -0.465 3.491) 4.701 5.607 ( 0.933 1.201 1.129) 1.895 5.622 ( 2.864 3.205 1.843) 4.676 5.691 ( 4.272 1.187 0.154) 4.436 5.703 ( 0.120 -0.020 -2.818) 2.821 5.775 ( -3.120 1.136 -0.366) 3.340 5.834 ( -3.464 -5.343 -1.175) 6.475 5.938 ( -2.188 1.060 1.055) 2.651 5.955 ( -5.713 0.158 0.354) 5.726 6.022 ( -1.842 -0.445 3.007) 3.555 6.039 ( 2.642 -2.468 5.163) 6.303 6.207 ( 0.459 3.940 -0.662) 4.022 6.262 ( 1.820 0.233 2.522) 3.119 6.340 ( -3.066 -2.777 2.619) 4.896 6.378 ( -4.697 -4.875 1.853) 7.018 6.480 ( -5.031 0.176 1.569) 5.273 6.493 ( -3.314 -1.358 -0.449) 3.610 6.533 ( -1.196 7.702 -2.397) 8.155 6.665 ( -1.209 -4.374 -6.063) 7.573 6.738 ( 3.942 0.305 0.356) 3.970 6.753 ( -0.598 -1.506 -2.155) 2.696 6.842 ( 1.916 0.659 -2.916) 3.551 6.857 ( 1.443 -1.162 1.678) 2.500 7.071 ( -1.268 2.397 -1.277) 2.997 7.107 ( -0.839 -0.777 0.571) 1.279 7.289 ( 1.104 2.920 -2.773) 4.175 7.318 ( -1.106 -0.257 -1.788) 2.118 7.336 ( 1.162 1.896 -0.163) 2.230 7.367 ( 2.363 -0.865 -1.297) 2.831 7.582 ( -0.558 2.911 1.349) 3.256 7.641 ( 0.532 -2.878 0.928) 3.071 7.670 ( -1.475 0.927 1.036) 2.027 7.685 ( -1.941 -0.558 0.908) 2.215 9.719 ( 0.568 1.559 0.223) 1.674 9.726 ( 0.233 0.922 0.179) 0.968 9.908 ( 0.237 0.274 0.132) 0.385 9.914 ( 0.443 -0.259 -0.265) 0.578 10.216 ( 0.333 -1.908 -0.065) 1.938 10.222 ( -0.031 -2.415 0.033) 2.416 11.729 ( -2.521 3.292 0.955) 4.255 11.769 ( -3.954 -0.815 0.330) 4.051 12.725 ( 0.297 2.485 0.102) 2.505 12.751 ( -0.447 -0.947 -0.232) 1.073 12.876 ( 2.313 4.317 0.329) 4.908 12.962 ( 2.436 -2.929 1.444) 4.074 12.991 ( 0.328 8.981 -0.824) 9.025 13.116 ( 2.133 -3.716 -1.577) 4.566 13.128 ( 0.970 -0.591 -0.411) 1.208 13.212 ( -0.249 -8.477 -0.148) 8.482======================= Grid point 74 (42/60) =======================q-point: (-0.43 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.575 ( -1.429 4.678 -0.524) 4.919 1.606 ( -0.627 2.192 -2.138) 3.126 2.020 ( -3.474 11.156 -4.341) 12.465 2.042 ( 2.892 2.419 1.084) 3.923 2.140 ( -3.010 -0.874 -0.793) 3.233 2.239 ( 3.956 -2.566 -4.987) 6.863 2.431 ( -3.886 6.878 8.306) 11.463 2.538 ( 1.003 1.879 2.312) 3.143 2.542 ( -3.125 1.760 3.328) 4.893 2.582 ( -5.397 0.639 -5.324) 7.609 2.636 ( -8.138 -2.651 10.958) 13.905 2.664 ( -3.261 0.099 3.072) 4.481 2.763 ( -3.413 2.504 2.950) 5.159 2.837 ( 5.055 -4.349 0.075) 6.669 2.879 ( 1.133 2.796 0.267) 3.029 2.966 ( 3.124 -4.863 -5.141) 7.736 3.031 ( -3.795 0.583 -8.602) 9.420 3.065 ( 4.313 -1.338 -2.469) 5.147 3.112 ( 3.094 -1.364 -3.405) 4.799 3.156 ( 2.877 -5.294 -4.000) 7.232 3.252 ( -0.630 2.229 -3.519) 4.213 3.309 ( 1.412 -1.561 -4.997) 5.422 3.395 ( 0.183 -0.874 4.596) 4.682 3.401 ( 1.200 -1.463 2.761) 3.347 3.503 ( 0.403 -1.554 2.622) 3.075 3.531 ( 0.677 -3.213 7.136) 7.855 3.622 ( 1.788 3.563 -2.480) 4.695 3.698 ( -0.286 -0.119 -4.448) 4.459 3.722 ( 0.490 -1.813 -2.652) 3.250 3.801 ( 2.231 -10.248 -2.838) 10.865 3.969 ( -6.408 6.482 4.518) 10.173 4.001 ( -4.047 1.149 1.813) 4.581 4.044 ( -6.699 -0.588 1.256) 6.841 4.112 ( -3.359 -4.094 2.041) 5.676 4.246 ( 0.806 1.771 -4.013) 4.460 4.309 ( 1.376 -1.656 2.404) 3.227 4.340 ( -5.109 4.751 -5.488) 8.876 4.412 ( 0.155 0.508 -7.707) 7.725 4.505 ( 1.264 1.525 1.066) 2.249 4.540 ( 1.524 -1.869 -0.681) 2.506 4.572 ( -4.838 3.291 -1.169) 5.967 4.637 ( 5.690 2.482 4.343) 7.576 4.682 ( 1.175 1.432 2.171) 2.854 4.710 ( 0.810 -4.078 2.482) 4.842 4.753 ( -0.826 -6.297 -0.467) 6.368 4.777 ( 2.494 -3.136 -1.483) 4.272 4.880 ( -0.923 -0.221 2.360) 2.544 4.915 ( 0.915 -3.276 1.974) 3.933 4.925 ( 2.936 2.789 -0.506) 4.081 4.966 ( 2.307 -0.514 0.197) 2.372 5.100 ( -4.241 0.587 -0.241) 4.289 5.129 ( -1.422 -2.469 -0.839) 2.970 5.168 ( -1.831 0.997 -0.603) 2.170 5.177 ( 0.294 -0.267 -1.367) 1.423 5.350 ( 0.159 2.165 3.496) 4.115 5.370 ( -2.874 0.005 1.580) 3.280 5.397 ( -2.843 1.610 1.829) 3.744 5.434 ( -3.533 -1.833 0.026) 3.980 5.532 ( 2.040 3.633 0.297) 4.177 5.575 ( 4.088 0.742 -1.420) 4.391 5.623 ( -2.906 2.829 -1.307) 4.261 5.678 ( -1.388 5.979 -0.243) 6.142 5.696 ( -3.161 -2.866 0.958) 4.373 5.744 ( 3.483 -0.338 0.460) 3.530 5.813 ( 5.997 1.181 -1.880) 6.395 5.871 ( 3.006 -3.669 -0.637) 4.785 5.915 ( 1.229 0.052 0.248) 1.254 5.953 ( 8.541 -2.422 1.829) 9.064 6.066 ( 0.291 2.802 6.113) 6.731 6.117 ( -1.003 -0.839 3.549) 3.782 6.209 ( -0.196 2.571 2.360) 3.496 6.267 ( -4.956 -0.811 -0.598) 5.058 6.326 ( 0.277 -1.978 5.339) 5.700 6.351 ( 1.132 -2.625 3.083) 4.204 6.440 ( 1.147 -0.178 -1.006) 1.536 6.456 ( -1.473 -1.211 -2.579) 3.207 6.512 ( 2.342 1.301 -1.658) 3.150 6.573 ( -0.911 -3.466 -5.920) 6.921 6.703 ( -2.551 3.047 -1.159) 4.139 6.751 ( -0.561 -1.608 -3.638) 4.017 6.887 ( 2.663 1.129 1.498) 3.257 6.894 ( 0.074 1.543 0.713) 1.701 7.048 ( 1.413 -0.065 -0.615) 1.542 7.084 ( -0.337 -2.285 -1.749) 2.897 7.263 ( -1.282 2.305 -1.919) 3.262 7.295 ( -0.033 -1.004 -1.695) 1.970 7.356 ( 1.585 3.046 -0.594) 3.484 7.396 ( 2.258 -0.988 -1.314) 2.793 7.599 ( -0.032 1.362 1.709) 2.186 7.605 ( -2.020 0.546 0.207) 2.103 7.683 ( 0.573 1.322 1.232) 1.896 7.717 ( 3.044 -1.919 0.880) 3.704 9.720 ( -0.820 1.309 0.248) 1.564 9.724 ( -0.472 1.081 0.156) 1.190 9.907 ( -0.451 0.497 0.048) 0.673 9.918 ( 0.088 -0.540 -0.182) 0.576 10.217 ( -0.445 -1.968 -0.122) 2.022 10.220 ( -0.008 -2.303 0.090) 2.305 11.736 ( 1.836 2.916 1.053) 3.604 11.767 ( 3.727 -0.220 0.234) 3.741 12.731 ( -0.047 1.148 0.393) 1.214 12.741 ( -0.289 -0.230 -0.528) 0.644 12.921 ( -0.200 5.213 1.218) 5.357 12.933 ( -2.028 8.069 -0.751) 8.354 13.011 ( -0.669 -0.632 1.764) 1.989 13.101 ( -0.385 -3.170 -3.801) 4.964 13.152 ( -1.396 -5.952 0.890) 6.178 13.167 ( -1.829 -5.529 -0.504) 5.846======================= Grid point 75 (43/60) =======================q-point: (-0.29 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( -4.433 8.220 0.861) 9.379 1.601 ( -2.332 -0.771 1.600) 2.931 1.893 ( -5.239 17.920 -3.647) 19.023 1.999 ( -5.672 5.090 -0.121) 7.622 2.130 ( -0.783 -0.781 2.958) 3.159 2.235 ( 0.020 -9.157 -6.487) 11.222 2.346 ( -5.786 3.821 3.688) 7.853 2.402 ( -5.703 0.306 1.070) 5.811 2.500 ( -2.687 0.679 -3.234) 4.259 2.579 ( 0.067 1.397 1.107) 1.784 2.607 ( -5.732 -2.869 6.289) 8.980 2.667 ( -1.794 -8.038 0.395) 8.245 2.750 ( -6.528 1.475 -5.132) 8.433 2.849 ( 1.247 -5.610 1.355) 5.905 2.902 ( 3.694 4.809 -2.206) 6.453 2.967 ( 2.724 0.569 -3.111) 4.174 3.045 ( 0.658 3.992 -0.522) 4.079 3.085 ( 1.529 -2.784 -2.310) 3.927 3.087 ( 2.868 1.142 2.106) 3.737 3.203 ( 3.246 -5.022 3.031) 6.704 3.277 ( 5.581 6.078 -0.467) 8.265 3.343 ( 5.026 1.470 -0.552) 5.266 3.410 ( -3.635 1.704 4.881) 6.320 3.442 ( -0.750 -0.333 2.184) 2.333 3.516 ( -2.086 -1.135 0.993) 2.574 3.538 ( -3.744 -3.401 -0.167) 5.061 3.624 ( -2.109 5.156 -3.643) 6.656 3.678 ( 0.495 4.410 0.344) 4.451 3.712 ( 1.983 -1.931 0.193) 2.775 3.779 ( -0.959 -9.220 -5.271) 10.663 3.819 ( -3.317 3.249 -1.975) 5.045 3.926 ( -6.374 -0.837 4.658) 7.939 3.969 ( -3.917 -4.319 0.620) 5.863 4.029 ( -5.387 -4.707 2.074) 7.448 4.176 ( -3.494 -0.992 -3.751) 5.221 4.222 ( -1.435 -4.221 -2.650) 5.186 4.329 ( 0.145 2.516 1.483) 2.924 4.434 ( 0.643 1.321 -3.274) 3.588 4.457 ( -4.094 -10.210 1.982) 11.178 4.487 ( 3.484 -4.201 -2.507) 6.006 4.605 ( 2.334 5.898 -0.279) 6.349 4.683 ( -3.575 -0.886 2.391) 4.391 4.729 ( 3.160 2.074 0.703) 3.845 4.761 ( 2.662 -0.397 -1.265) 2.974 4.817 ( 1.034 -0.754 1.563) 2.020 4.860 ( 6.092 -2.686 0.022) 6.658 4.873 ( 2.492 2.095 -3.403) 4.709 4.904 ( -3.360 -4.290 2.054) 5.824 4.984 ( -1.197 2.563 4.233) 5.091 5.006 ( -0.902 2.393 -1.725) 3.085 5.083 ( 5.066 1.743 4.602) 7.062 5.125 ( -0.901 0.555 1.900) 2.175 5.144 ( -2.419 -0.113 -0.277) 2.437 5.166 ( 3.393 -2.726 -1.599) 4.637 5.310 ( -2.983 3.797 -0.264) 4.836 5.358 ( -1.342 0.457 0.835) 1.646 5.411 ( 0.297 2.737 -0.504) 2.799 5.458 ( 3.049 -2.525 3.560) 5.324 5.482 ( -6.304 -0.226 2.964) 6.970 5.499 ( -4.302 0.428 -3.755) 5.727 5.601 ( -2.041 0.947 -3.400) 4.077 5.625 ( 0.885 0.825 -1.577) 1.987 5.693 ( 2.417 3.904 -2.685) 5.319 5.799 ( -0.028 3.553 -2.955) 4.621 5.821 ( 2.692 -3.605 -1.210) 4.660 5.887 ( -0.101 -5.877 2.021) 6.215 6.020 ( 3.796 4.348 2.464) 6.276 6.042 ( -2.837 2.858 -1.750) 4.391 6.123 ( 4.217 -2.680 1.206) 5.140 6.145 ( 0.642 -2.329 -0.986) 2.610 6.188 ( -2.626 2.448 -1.432) 3.865 6.258 ( -1.229 -4.263 0.491) 4.463 6.390 ( 1.773 1.539 2.449) 3.392 6.393 ( 1.687 2.035 4.661) 5.359 6.450 ( 0.260 0.215 -0.166) 0.376 6.493 ( 2.815 -3.177 3.529) 5.520 6.530 ( 4.543 1.393 0.222) 4.757 6.587 ( 4.464 -3.608 -0.247) 5.745 6.657 ( -2.324 2.748 1.074) 3.756 6.702 ( -0.412 -1.133 0.026) 1.206 6.874 ( 1.333 4.190 -3.811) 5.819 6.929 ( 0.665 -0.837 -0.949) 1.429 7.070 ( 1.224 -0.126 0.049) 1.231 7.115 ( 2.826 -3.944 1.896) 5.209 7.211 ( -2.012 1.643 -1.737) 3.125 7.245 ( -2.894 -1.569 -1.823) 3.763 7.390 ( 2.705 2.131 -1.281) 3.674 7.414 ( 1.862 -0.381 -2.198) 2.906 7.602 ( 1.129 2.331 1.252) 2.878 7.632 ( 1.487 -0.633 2.252) 2.771 7.716 ( 1.312 2.777 -0.026) 3.071 7.761 ( 1.176 -1.819 -0.858) 2.330 9.702 ( -1.248 1.514 0.233) 1.976 9.711 ( -1.116 0.730 0.208) 1.349 9.896 ( -0.653 0.859 0.029) 1.080 9.912 ( -0.457 -0.566 -0.287) 0.782 10.206 ( -0.573 -1.418 -0.083) 1.531 10.219 ( -0.176 -2.790 0.143) 2.799 11.826 ( 6.937 4.995 0.626) 8.571 11.893 ( 9.088 -1.642 0.859) 9.276 12.710 ( -2.325 4.301 -0.383) 4.904 12.740 ( -0.237 -0.137 0.630) 0.686 12.829 ( -4.831 3.110 -1.645) 5.976 12.957 ( -6.816 -3.825 -2.860) 8.323 12.962 ( -1.228 1.177 1.401) 2.204 13.017 ( -1.856 -1.037 -0.450) 2.173 13.103 ( -1.381 1.073 -0.262) 1.768 13.176 ( -1.083 -5.680 1.915) 6.091======================= Grid point 76 (44/60) =======================q-point: (-0.14 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( -3.879 7.638 0.063) 8.567 1.523 ( -7.230 1.596 0.101) 7.405 1.788 ( -4.989 15.644 0.011) 16.420 1.921 ( -1.364 13.136 2.590) 13.458 2.088 ( -6.991 -7.126 -6.442) 11.881 2.160 ( 0.812 0.594 3.238) 3.391 2.293 ( -4.984 2.963 -5.315) 7.866 2.340 ( -2.891 1.592 2.492) 4.136 2.396 ( -5.811 -8.224 5.985) 11.715 2.499 ( -4.999 -12.153 -4.275) 13.819 2.618 ( 1.115 1.402 -0.307) 1.818 2.675 ( 9.311 -0.660 -1.308) 9.426 2.710 ( 4.454 2.755 -0.346) 5.249 2.793 ( 0.726 -8.625 -3.127) 9.203 2.936 ( -6.471 9.660 3.470) 12.133 2.996 ( 2.111 0.802 0.694) 2.363 3.021 ( 1.544 1.408 0.502) 2.149 3.103 ( 3.281 0.974 -0.146) 3.426 3.230 ( -0.943 -0.600 -1.013) 1.509 3.250 ( -2.869 0.457 0.564) 2.959 3.333 ( 1.251 1.452 -7.715) 7.950 3.347 ( -3.826 1.455 0.898) 4.191 3.414 ( -0.948 3.260 7.988) 8.680 3.465 ( -1.698 0.278 -0.506) 1.793 3.486 ( 0.489 6.126 0.405) 6.159 3.531 ( 4.491 0.264 3.842) 5.916 3.564 ( 2.300 0.836 3.211) 4.037 3.631 ( -2.198 -5.102 -2.223) 5.983 3.693 ( -0.547 3.438 0.759) 3.562 3.785 ( 0.041 -0.785 3.749) 3.830 3.863 ( -0.354 -3.679 6.431) 7.417 3.903 ( -5.030 -2.855 1.730) 6.037 3.912 ( -0.160 -11.834 -1.083) 11.885 3.959 ( -2.860 -5.844 0.636) 6.538 4.123 ( 1.046 -2.431 -2.510) 3.647 4.164 ( -2.101 -5.857 -0.690) 6.260 4.328 ( -0.341 1.661 -0.420) 1.747 4.383 ( -1.230 -3.236 -1.769) 3.888 4.483 ( 3.290 0.774 -1.038) 3.536 4.543 ( 2.687 -3.537 -2.845) 5.275 4.602 ( -5.238 2.506 1.873) 6.101 4.640 ( -0.233 0.594 -0.058) 0.641 4.736 ( -1.805 1.453 -3.223) 3.970 4.748 ( -1.201 1.166 -2.853) 3.308 4.772 ( 1.304 2.152 0.411) 2.549 4.842 ( 0.011 -0.775 -1.755) 1.918 4.920 ( 0.546 0.222 -1.457) 1.572 4.951 ( 2.367 -4.098 -1.007) 4.839 5.007 ( 3.916 1.547 -4.110) 5.884 5.041 ( 2.218 -0.202 -2.877) 3.639 5.092 ( -0.207 1.460 1.119) 1.851 5.123 ( 1.638 -0.996 2.529) 3.174 5.157 ( -3.015 1.442 0.367) 3.362 5.230 ( 0.272 -3.905 1.016) 4.045 5.234 ( -1.354 5.419 -1.441) 5.768 5.323 ( -4.938 -2.211 -4.266) 6.890 5.405 ( -0.067 2.429 4.038) 4.713 5.443 ( 2.866 3.982 2.114) 5.342 5.474 ( -1.253 -3.876 3.380) 5.293 5.526 ( 0.906 -2.784 -2.622) 3.930 5.584 ( 3.093 2.934 -1.078) 4.398 5.636 ( 2.596 -2.196 1.246) 3.622 5.696 ( 2.434 4.986 -4.834) 7.358 5.733 ( 0.179 2.029 -6.024) 6.359 5.874 ( -0.070 -0.229 4.619) 4.625 5.903 ( -2.782 -3.551 2.569) 5.191 5.956 ( -1.812 2.145 -0.744) 2.905 6.038 ( -4.660 -0.261 3.269) 5.698 6.090 ( -6.005 2.076 0.405) 6.367 6.106 ( -2.438 -1.914 -3.307) 4.532 6.207 ( 2.239 -0.346 -0.853) 2.421 6.228 ( 4.625 -2.348 -1.418) 5.377 6.371 ( -2.447 1.487 -0.418) 2.894 6.414 ( -0.260 -1.868 -0.083) 1.888 6.536 ( -0.891 2.561 1.050) 2.908 6.580 ( 0.409 -0.464 2.365) 2.445 6.653 ( 6.919 1.678 2.813) 7.655 6.668 ( 3.292 1.396 2.548) 4.390 6.694 ( 4.574 -0.487 4.758) 6.618 6.745 ( 0.752 -3.370 3.538) 4.944 6.880 ( 2.417 2.514 -1.670) 3.867 6.921 ( 1.615 -0.929 -1.553) 2.426 7.091 ( -0.862 1.865 0.982) 2.277 7.127 ( -1.899 -0.330 -1.382) 2.371 7.191 ( -0.868 -1.326 0.276) 1.609 7.209 ( 1.681 -3.640 1.949) 4.458 7.408 ( 1.509 1.726 -2.266) 3.223 7.429 ( 2.624 -0.302 -2.417) 3.580 7.638 ( 0.770 3.325 -0.319) 3.428 7.687 ( 1.806 -1.144 0.157) 2.144 7.722 ( 0.138 1.449 0.058) 1.457 7.741 ( -0.761 -0.732 -1.897) 2.171 9.686 ( -0.714 1.396 0.145) 1.575 9.692 ( -0.975 0.812 0.098) 1.273 9.887 ( -0.405 0.906 0.048) 0.994 9.899 ( -0.413 -0.182 -0.401) 0.604 10.198 ( -0.257 -1.104 0.184) 1.148 10.217 ( -0.162 -2.998 0.058) 3.003 11.978 ( 8.358 7.395 0.075) 11.160 12.091 ( 10.943 -3.873 -0.079) 11.609 12.640 ( -5.021 5.518 0.799) 7.503 12.713 ( -6.435 0.996 -1.663) 6.721 12.743 ( -5.599 -2.571 0.637) 6.194 12.769 ( -1.756 -4.535 -0.074) 4.864 12.963 ( -0.457 3.113 -0.067) 3.147 12.995 ( -1.395 -0.464 0.718) 1.636 13.090 ( -0.239 2.276 -0.082) 2.290 13.158 ( -2.090 -4.300 0.231) 4.787======================= Grid point 98 (45/60) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.982 ( -19.498 0.000 -22.167) 29.522 0.982 ( 19.498 0.000 22.167) 29.522 1.126 ( 2.843 0.000 -27.398) 27.545 1.126 ( -2.843 0.000 27.398) 27.545 1.805 ( 18.935 0.000 -34.816) 39.632 1.805 ( -18.935 0.000 34.816) 39.632 1.989 ( -9.470 0.000 -13.014) 16.095 1.989 ( 9.470 0.000 13.014) 16.095 2.532 ( 1.917 0.000 -1.847) 2.662 2.532 ( -1.917 0.000 1.847) 2.662 2.684 ( 1.492 0.000 -6.411) 6.583 2.684 ( -1.492 0.000 6.411) 6.583 2.839 ( -0.397 0.000 -8.014) 8.023 2.839 ( 0.397 0.000 8.014) 8.023 3.035 ( -5.873 0.000 -2.368) 6.333 3.035 ( 5.873 0.000 2.368) 6.333 3.120 ( 4.719 0.000 -6.308) 7.878 3.120 ( -4.719 0.000 6.308) 7.878 3.276 ( 3.953 0.000 -2.878) 4.890 3.276 ( -3.953 0.000 2.878) 4.890 3.462 ( -0.607 0.000 -1.670) 1.777 3.462 ( 0.607 0.000 1.670) 1.777 3.557 ( -0.028 0.000 -2.548) 2.549 3.557 ( 0.028 0.000 2.548) 2.549 3.638 ( 3.603 0.000 -3.826) 5.255 3.638 ( -3.603 0.000 3.826) 5.255 3.750 ( 3.505 0.000 -2.476) 4.291 3.750 ( -3.505 0.000 2.476) 4.291 3.878 ( -2.787 0.000 -0.456) 2.824 3.878 ( 2.787 0.000 0.456) 2.824 4.039 ( 2.332 0.000 -1.414) 2.727 4.039 ( -2.332 0.000 1.414) 2.727 4.084 ( -4.582 0.000 0.658) 4.629 4.084 ( 4.582 0.000 -0.658) 4.629 4.292 ( -8.208 0.000 0.932) 8.261 4.292 ( 8.208 0.000 -0.932) 8.261 4.424 ( 0.570 0.000 -5.607) 5.636 4.424 ( -0.570 0.000 5.607) 5.636 4.435 ( -3.759 0.000 -1.574) 4.075 4.435 ( 3.759 0.000 1.574) 4.075 4.638 ( -0.335 0.000 -0.980) 1.036 4.638 ( 0.335 0.000 0.980) 1.036 4.695 ( 3.605 0.000 -3.379) 4.941 4.695 ( -3.605 0.000 3.379) 4.941 4.851 ( 1.056 0.000 -7.531) 7.604 4.851 ( -1.056 0.000 7.531) 7.604 4.902 ( 5.350 0.000 -8.174) 9.769 4.902 ( -5.350 0.000 8.174) 9.769 5.033 ( 2.168 0.000 -1.257) 2.507 5.033 ( -2.168 0.000 1.257) 2.507 5.074 ( -0.159 0.000 -0.773) 0.789 5.074 ( 0.159 0.000 0.773) 0.789 5.154 ( 5.532 0.000 -7.100) 9.001 5.154 ( -5.532 0.000 7.100) 9.001 5.241 ( 2.890 0.000 -8.566) 9.041 5.241 ( -2.890 0.000 8.566) 9.041 5.345 ( 1.204 0.000 -3.276) 3.490 5.345 ( -1.204 0.000 3.276) 3.490 5.412 ( -1.886 0.000 -0.339) 1.916 5.412 ( 1.886 0.000 0.339) 1.916 5.559 ( -1.669 0.000 -3.961) 4.298 5.559 ( 1.669 0.000 3.961) 4.298 5.681 ( 3.079 0.000 -1.393) 3.379 5.681 ( -3.079 0.000 1.393) 3.379 5.767 ( 0.641 0.000 -1.689) 1.806 5.767 ( -0.641 0.000 1.689) 1.806 5.962 ( -7.507 0.000 -0.934) 7.565 5.962 ( 7.507 0.000 0.934) 7.565 6.137 ( -0.610 0.000 -5.626) 5.659 6.137 ( 0.610 0.000 5.626) 5.659 6.244 ( 1.276 0.000 -1.204) 1.754 6.244 ( -1.276 0.000 1.204) 1.754 6.390 ( 1.468 0.000 -0.693) 1.623 6.390 ( -1.468 0.000 0.693) 1.623 6.583 ( 0.815 0.000 -3.226) 3.328 6.583 ( -0.815 0.000 3.226) 3.328 6.652 ( -2.108 0.000 -4.820) 5.261 6.652 ( 2.108 0.000 4.820) 5.261 6.814 ( -1.753 0.000 -1.999) 2.659 6.814 ( 1.753 0.000 1.999) 2.659 6.951 ( -4.952 0.000 1.334) 5.129 6.951 ( 4.952 0.000 -1.334) 5.129 7.077 ( 0.343 0.000 -0.765) 0.839 7.077 ( -0.343 0.000 0.765) 0.839 7.379 ( -7.656 0.000 -4.379) 8.820 7.379 ( 7.656 0.000 4.379) 8.820 7.435 ( 0.678 0.000 -3.239) 3.309 7.435 ( -0.678 0.000 3.239) 3.309 7.517 ( 3.734 0.000 -1.778) 4.136 7.517 ( -3.734 0.000 1.778) 4.136 7.668 ( -0.704 0.000 -1.008) 1.230 7.668 ( 0.704 0.000 1.008) 1.230 9.603 ( -0.352 0.000 -1.818) 1.851 9.603 ( 0.352 0.000 1.818) 1.851 9.846 ( 0.056 0.000 -0.165) 0.175 9.846 ( -0.056 0.000 0.165) 0.175 10.368 ( 0.196 0.000 -2.104) 2.113 10.368 ( -0.196 0.000 2.104) 2.113 11.809 ( -10.415 0.000 -4.233) 11.243 11.809 ( 10.415 0.000 4.233) 11.243 12.657 ( 3.675 0.000 -4.721) 5.983 12.657 ( -3.675 0.000 4.721) 5.983 12.788 ( -1.536 0.000 -4.897) 5.132 12.788 ( 1.536 0.000 4.897) 5.132 13.022 ( 0.420 0.000 -1.918) 1.963 13.022 ( -0.420 0.000 1.918) 1.963 13.205 ( -13.666 0.000 -1.197) 13.718 13.205 ( 13.666 0.000 1.197) 13.718======================= Grid point 100 (46/60) =======================q-point: ( 0.14 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.731 ( 22.140 0.000 -11.356) 24.883 1.046 ( 19.730 0.000 -22.799) 30.151 1.410 ( 3.529 0.000 15.209) 15.613 1.557 ( 19.517 0.000 11.878) 22.848 1.722 ( 10.251 0.000 -12.603) 16.246 1.759 ( -17.617 0.000 20.937) 27.363 1.906 ( 18.102 0.000 -20.909) 27.656 2.335 ( 8.861 0.000 10.673) 13.872 2.508 ( -2.790 0.000 2.731) 3.904 2.519 ( -0.323 0.000 -3.857) 3.871 2.530 ( -5.502 0.000 -7.046) 8.940 2.581 ( -5.036 0.000 -2.333) 5.550 2.838 ( -7.525 0.000 -2.449) 7.914 2.857 ( 1.425 0.000 -2.867) 3.202 3.026 ( -5.595 0.000 -2.552) 6.150 3.030 ( -2.128 0.000 6.549) 6.886 3.143 ( 1.682 0.000 -7.318) 7.509 3.187 ( 5.403 0.000 12.429) 13.552 3.236 ( 0.598 0.000 2.144) 2.226 3.308 ( 2.328 0.000 -2.108) 3.140 3.443 ( -1.312 0.000 -0.536) 1.417 3.476 ( 1.177 0.000 -2.826) 3.061 3.531 ( -5.896 0.000 0.480) 5.915 3.558 ( 3.244 0.000 -8.468) 9.068 3.615 ( 1.315 0.000 -9.283) 9.375 3.624 ( -5.613 0.000 6.177) 8.346 3.704 ( -0.872 0.000 -2.311) 2.470 3.721 ( 0.165 0.000 1.309) 1.319 3.869 ( 4.379 0.000 0.986) 4.489 3.898 ( -1.859 0.000 2.388) 3.027 3.989 ( -4.767 0.000 4.995) 6.904 4.066 ( 2.504 0.000 -0.538) 2.561 4.068 ( 0.737 0.000 0.920) 1.179 4.170 ( 0.280 0.000 2.519) 2.535 4.242 ( 3.061 0.000 1.718) 3.510 4.315 ( 0.047 0.000 -4.675) 4.676 4.376 ( -0.043 0.000 -1.898) 1.898 4.416 ( -3.989 0.000 1.907) 4.421 4.462 ( 2.155 0.000 3.581) 4.179 4.503 ( 1.190 0.000 -0.866) 1.472 4.638 ( -2.744 0.000 2.131) 3.475 4.661 ( 3.481 0.000 3.891) 5.220 4.694 ( -0.933 0.000 -7.633) 7.690 4.709 ( -0.424 0.000 4.728) 4.747 4.812 ( 1.753 0.000 -3.925) 4.299 4.846 ( -6.710 0.000 4.645) 8.161 4.893 ( -1.521 0.000 -2.105) 2.597 4.956 ( 1.380 0.000 5.285) 5.462 5.009 ( 0.825 0.000 -1.168) 1.430 5.050 ( -0.018 0.000 4.451) 4.451 5.074 ( 0.602 0.000 4.610) 4.649 5.090 ( 4.217 0.000 -3.001) 5.176 5.159 ( 4.161 0.000 -5.957) 7.266 5.170 ( -0.587 0.000 7.366) 7.389 5.188 ( 3.577 0.000 -8.380) 9.112 5.247 ( -3.909 0.000 5.365) 6.638 5.321 ( 0.515 0.000 1.136) 1.247 5.365 ( -0.082 0.000 2.249) 2.251 5.458 ( 2.569 0.000 -0.825) 2.698 5.499 ( 1.319 0.000 2.587) 2.904 5.557 ( 1.105 0.000 -1.578) 1.926 5.627 ( -1.468 0.000 -1.747) 2.282 5.653 ( 1.795 0.000 1.002) 2.056 5.693 ( -3.199 0.000 -4.366) 5.413 5.740 ( -8.769 0.000 1.717) 8.935 5.802 ( 2.392 0.000 -0.602) 2.467 5.856 ( 10.112 0.000 -0.249) 10.115 6.023 ( 0.412 0.000 -3.786) 3.809 6.090 ( 3.022 0.000 -0.662) 3.093 6.125 ( -5.185 0.000 6.742) 8.505 6.308 ( -3.261 0.000 6.318) 7.110 6.341 ( 4.678 0.000 1.246) 4.841 6.351 ( 0.985 0.000 -3.092) 3.245 6.380 ( -1.486 0.000 0.387) 1.536 6.507 ( -3.544 0.000 -7.075) 7.913 6.575 ( 1.916 0.000 -5.294) 5.630 6.578 ( -3.484 0.000 4.182) 5.443 6.676 ( -2.898 0.000 0.058) 2.899 6.745 ( -0.631 0.000 -3.413) 3.471 6.794 ( -2.344 0.000 -5.575) 6.048 6.902 ( -2.551 0.000 3.423) 4.270 6.987 ( 1.441 0.000 -2.870) 3.211 7.057 ( -2.849 0.000 0.616) 2.915 7.112 ( 3.266 0.000 2.731) 4.257 7.207 ( -7.029 0.000 2.359) 7.414 7.384 ( -0.343 0.000 -0.681) 0.763 7.394 ( -4.240 0.000 0.785) 4.312 7.432 ( -4.727 0.000 -0.408) 4.744 7.565 ( 3.920 0.000 3.849) 5.494 7.599 ( 5.403 0.000 -2.872) 6.118 7.659 ( -0.121 0.000 -0.644) 0.656 7.676 ( -3.488 0.000 -0.289) 3.499 9.592 ( 0.854 0.000 -1.339) 1.588 9.639 ( 1.078 0.000 1.867) 2.156 9.848 ( 0.558 0.000 -0.419) 0.697 9.850 ( 0.347 0.000 0.146) 0.377 10.360 ( 1.227 0.000 -1.735) 2.125 10.391 ( 0.145 0.000 1.685) 1.691 11.641 ( -6.347 0.000 0.209) 6.351 12.025 ( -1.850 0.000 8.173) 8.380 12.553 ( -8.461 0.000 -8.144) 11.744 12.629 ( -4.238 0.000 4.841) 6.434 12.756 ( 4.933 0.000 -4.870) 6.932 12.885 ( 2.328 0.000 4.574) 5.132 12.990 ( 2.644 0.000 1.296) 2.945 13.025 ( 0.298 0.000 -0.186) 0.351 13.087 ( 6.423 0.000 -3.779) 7.452 13.399 ( 8.818 0.000 -3.410) 9.454======================= Grid point 101 (47/60) =======================q-point: ( 0.29 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( 18.358 0.000 -5.566) 19.183 1.306 ( 25.816 0.000 -10.937) 28.037 1.617 ( 12.164 0.000 9.788) 15.613 1.644 ( -3.312 0.000 0.120) 3.314 1.954 ( 21.158 0.000 -4.952) 21.730 1.954 ( 7.104 0.000 14.058) 15.751 2.145 ( 17.657 0.000 1.883) 17.757 2.285 ( -10.175 0.000 -6.357) 11.997 2.436 ( -4.324 0.000 1.695) 4.645 2.455 ( -0.622 0.000 -4.985) 5.024 2.507 ( -0.189 0.000 -4.240) 4.244 2.555 ( -1.576 0.000 6.967) 7.143 2.727 ( 0.075 0.000 -5.318) 5.318 2.770 ( -2.569 0.000 -11.886) 12.161 2.850 ( -5.264 0.000 -1.190) 5.397 3.018 ( -2.955 0.000 4.649) 5.509 3.167 ( 0.488 0.000 -1.365) 1.450 3.220 ( -1.089 0.000 -5.377) 5.487 3.252 ( -1.203 0.000 -4.604) 4.759 3.337 ( 0.075 0.000 3.074) 3.074 3.383 ( -3.132 0.000 1.925) 3.676 3.416 ( -5.047 0.000 2.389) 5.584 3.425 ( -6.707 0.000 8.635) 10.933 3.539 ( 0.746 0.000 -7.039) 7.079 3.546 ( 3.019 0.000 -3.192) 4.394 3.735 ( 1.330 0.000 3.260) 3.521 3.766 ( 7.970 0.000 0.010) 7.970 3.790 ( 4.566 0.000 -0.332) 4.578 3.860 ( -2.741 0.000 0.937) 2.897 3.913 ( -2.068 0.000 2.705) 3.405 4.000 ( 1.414 0.000 -0.053) 1.415 4.119 ( 2.310 0.000 4.343) 4.919 4.140 ( 4.453 0.000 1.914) 4.847 4.204 ( 4.638 0.000 -6.784) 8.217 4.284 ( 3.462 0.000 2.898) 4.515 4.286 ( -2.705 0.000 0.687) 2.791 4.380 ( -1.443 0.000 7.884) 8.015 4.416 ( 3.946 0.000 -4.057) 5.660 4.465 ( -7.162 0.000 -2.163) 7.482 4.489 ( -1.238 0.000 -0.331) 1.281 4.581 ( -2.979 0.000 1.246) 3.229 4.610 ( 3.754 0.000 -2.280) 4.392 4.701 ( -6.538 0.000 -0.825) 6.590 4.738 ( -2.049 0.000 2.736) 3.418 4.754 ( -4.553 0.000 0.028) 4.553 4.824 ( 2.004 0.000 0.501) 2.066 4.879 ( 5.121 0.000 -6.707) 8.439 4.920 ( -3.992 0.000 0.583) 4.035 5.060 ( 2.922 0.000 0.436) 2.954 5.110 ( 2.112 0.000 -7.221) 7.523 5.134 ( -3.693 0.000 7.986) 8.798 5.153 ( -0.408 0.000 0.009) 0.409 5.165 ( 3.707 0.000 -2.562) 4.507 5.231 ( 5.145 0.000 -1.106) 5.262 5.243 ( -1.348 0.000 7.758) 7.875 5.274 ( -0.906 0.000 11.455) 11.491 5.350 ( -2.219 0.000 2.696) 3.492 5.368 ( 1.358 0.000 2.040) 2.451 5.465 ( 1.952 0.000 -2.783) 3.399 5.471 ( -2.335 0.000 5.240) 5.737 5.516 ( -2.249 0.000 -1.044) 2.480 5.573 ( -4.708 0.000 -2.534) 5.346 5.633 ( 6.366 0.000 -5.615) 8.489 5.669 ( 2.862 0.000 -1.885) 3.427 5.714 ( 0.032 0.000 3.339) 3.339 5.787 ( 0.751 0.000 -6.195) 6.240 5.930 ( -5.109 0.000 -1.604) 5.354 6.098 ( 7.567 0.000 4.264) 8.685 6.109 ( -5.439 0.000 4.258) 6.907 6.180 ( -0.281 0.000 4.851) 4.859 6.221 ( -4.892 0.000 -3.933) 6.277 6.345 ( 1.557 0.000 -2.109) 2.621 6.366 ( -4.187 0.000 7.350) 8.459 6.391 ( 2.485 0.000 -2.431) 3.476 6.411 ( 0.276 0.000 0.510) 0.580 6.554 ( -3.727 0.000 0.246) 3.735 6.568 ( 4.633 0.000 -8.094) 9.326 6.616 ( -1.329 0.000 0.871) 1.589 6.662 ( -4.682 0.000 -4.703) 6.636 6.742 ( 1.780 0.000 -0.293) 1.804 6.899 ( -3.160 0.000 2.614) 4.102 6.980 ( 1.583 0.000 -4.115) 4.409 7.030 ( -0.430 0.000 2.800) 2.833 7.182 ( -2.526 0.000 6.785) 7.240 7.190 ( 1.655 0.000 -0.051) 1.656 7.275 ( -7.855 0.000 -3.865) 8.755 7.316 ( -5.740 0.000 1.555) 5.947 7.395 ( 0.703 0.000 -0.704) 0.994 7.545 ( -4.186 0.000 -4.744) 6.327 7.627 ( -0.208 0.000 -4.542) 4.546 7.649 ( 3.510 0.000 -1.718) 3.908 7.678 ( 2.021 0.000 5.594) 5.947 9.606 ( 1.771 0.000 -0.305) 1.797 9.670 ( 0.127 0.000 1.461) 1.467 9.856 ( 0.953 0.000 -0.688) 1.176 9.860 ( 0.344 0.000 0.397) 0.526 10.373 ( 1.825 0.000 -1.284) 2.232 10.404 ( -0.193 0.000 0.842) 0.863 11.566 ( -3.887 0.000 2.867) 4.830 11.848 ( -9.989 0.000 -6.510) 11.923 12.439 ( 1.043 0.000 -2.419) 2.635 12.606 ( -3.754 0.000 3.467) 5.110 12.812 ( 4.223 0.000 -1.928) 4.643 12.930 ( -1.071 0.000 1.341) 1.716 13.049 ( 3.143 0.000 -1.200) 3.365 13.053 ( 2.754 0.000 -0.773) 2.860 13.302 ( 7.646 0.000 9.441) 12.149 13.477 ( 4.631 0.000 -3.499) 5.804======================= Grid point 102 (48/60) =======================q-point: ( 0.43 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 8.847 0.000 -3.871) 9.657 1.451 ( -4.033 0.000 -5.727) 7.004 1.796 ( 19.567 0.000 -0.355) 19.570 1.898 ( 5.795 0.000 2.604) 6.354 2.036 ( -3.010 0.000 -0.973) 3.163 2.192 ( -4.357 0.000 3.794) 5.777 2.238 ( 8.487 0.000 5.769) 10.262 2.291 ( -3.038 0.000 -3.158) 4.382 2.387 ( -5.120 0.000 3.016) 5.943 2.431 ( -3.528 0.000 -4.976) 6.099 2.538 ( -4.454 0.000 4.480) 6.318 2.547 ( 9.767 0.000 2.980) 10.211 2.658 ( -1.859 0.000 -1.864) 2.633 2.708 ( 2.016 0.000 -4.430) 4.867 2.870 ( 18.708 0.000 -4.010) 19.133 3.000 ( -2.001 0.000 2.560) 3.249 3.062 ( -3.040 0.000 -3.576) 4.693 3.207 ( -9.048 0.000 -0.124) 9.048 3.228 ( 4.390 0.000 -2.706) 5.157 3.263 ( -3.307 0.000 1.223) 3.525 3.395 ( 1.135 0.000 5.458) 5.575 3.452 ( 1.122 0.000 2.907) 3.116 3.492 ( 0.084 0.000 -1.554) 1.556 3.528 ( 5.896 0.000 8.066) 9.991 3.562 ( -2.037 0.000 -2.636) 3.331 3.696 ( -4.602 0.000 -5.391) 7.089 3.764 ( -0.405 0.000 -1.508) 1.562 3.795 ( -3.773 0.000 1.009) 3.905 3.824 ( 3.871 0.000 -7.145) 8.126 3.887 ( -5.979 0.000 3.393) 6.875 4.013 ( 3.429 0.000 -3.822) 5.135 4.106 ( -7.463 0.000 -1.382) 7.590 4.186 ( 1.977 0.000 -3.309) 3.855 4.193 ( -7.199 0.000 6.836) 9.928 4.316 ( 3.466 0.000 2.720) 4.405 4.354 ( 5.866 0.000 -2.631) 6.429 4.402 ( 1.602 0.000 0.345) 1.639 4.428 ( -0.767 0.000 -5.007) 5.065 4.476 ( 2.539 0.000 2.146) 3.325 4.485 ( -1.165 0.000 3.169) 3.376 4.554 ( -0.658 0.000 -3.443) 3.505 4.580 ( 2.940 0.000 4.796) 5.625 4.665 ( -2.222 0.000 -0.926) 2.407 4.699 ( -5.981 0.000 5.395) 8.055 4.710 ( 5.443 0.000 -4.650) 7.158 4.800 ( -4.887 0.000 0.479) 4.911 4.882 ( 3.919 0.000 -6.467) 7.562 4.931 ( -3.404 0.000 2.410) 4.171 5.026 ( -0.579 0.000 -1.661) 1.759 5.055 ( 0.772 0.000 -3.313) 3.402 5.132 ( 4.473 0.000 -0.166) 4.476 5.193 ( -3.694 0.000 7.270) 8.155 5.244 ( -1.157 0.000 -2.123) 2.418 5.246 ( 1.710 0.000 1.101) 2.034 5.278 ( 3.630 0.000 -0.731) 3.703 5.340 ( -2.384 0.000 1.261) 2.697 5.381 ( -2.575 0.000 12.105) 12.376 5.430 ( 3.264 0.000 -3.945) 5.120 5.472 ( 3.405 0.000 1.035) 3.558 5.503 ( -2.299 0.000 6.523) 6.916 5.527 ( 4.551 0.000 -3.247) 5.590 5.555 ( 0.159 0.000 2.769) 2.773 5.672 ( 1.396 0.000 -2.278) 2.672 5.711 ( 0.904 0.000 -0.957) 1.317 5.732 ( -1.699 0.000 4.787) 5.080 5.782 ( 5.808 0.000 -6.912) 9.028 5.847 ( -0.760 0.000 0.740) 1.061 5.994 ( -6.616 0.000 -9.307) 11.419 6.026 ( -5.676 0.000 3.145) 6.489 6.069 ( -7.468 0.000 -1.820) 7.686 6.226 ( 1.030 0.000 2.393) 2.605 6.304 ( -6.635 0.000 1.589) 6.822 6.436 ( 4.506 0.000 -1.566) 4.770 6.439 ( 4.607 0.000 3.147) 5.579 6.518 ( -1.974 0.000 1.113) 2.266 6.530 ( -5.361 0.000 -0.555) 5.389 6.573 ( 6.184 0.000 -0.764) 6.231 6.585 ( 11.527 0.000 -4.982) 12.557 6.600 ( -2.789 0.000 2.145) 3.518 6.793 ( -4.512 0.000 1.249) 4.682 6.812 ( -2.189 0.000 3.928) 4.497 6.923 ( -1.109 0.000 -8.252) 8.326 7.086 ( 0.703 0.000 3.273) 3.348 7.110 ( -1.639 0.000 -1.604) 2.294 7.219 ( 0.837 0.000 -3.220) 3.327 7.232 ( -4.839 0.000 2.255) 5.339 7.248 ( 0.984 0.000 7.882) 7.943 7.354 ( -1.348 0.000 -5.950) 6.101 7.496 ( -0.382 0.000 3.052) 3.076 7.556 ( -1.180 0.000 -5.258) 5.389 7.704 ( 4.173 0.000 -1.904) 4.587 7.733 ( -1.710 0.000 3.630) 4.013 9.643 ( 2.102 0.000 0.047) 2.103 9.671 ( -1.242 0.000 0.657) 1.405 9.865 ( 0.800 0.000 -0.753) 1.098 9.867 ( -0.228 0.000 0.623) 0.664 10.392 ( 1.433 0.000 -0.885) 1.684 10.403 ( -0.702 0.000 0.570) 0.905 11.566 ( -0.644 0.000 5.048) 5.089 11.655 ( -3.842 0.000 -6.215) 7.306 12.475 ( 4.043 0.000 -0.371) 4.060 12.553 ( -4.693 0.000 0.972) 4.792 12.864 ( 2.698 0.000 -0.068) 2.699 12.905 ( -1.639 0.000 -0.451) 1.700 13.084 ( 0.836 0.000 0.215) 0.863 13.084 ( 1.658 0.000 -1.100) 1.990 13.462 ( 1.003 0.000 6.323) 6.402 13.501 ( 2.242 0.000 -3.836) 4.443======================= Grid point 106 (49/60) =======================q-point: ( 0.00 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.998 ( -4.379 3.346 -16.932) 17.806 0.998 ( 4.379 3.346 16.932) 17.806 1.246 ( -5.071 12.753 -17.589) 22.310 1.246 ( 5.071 12.753 17.589) 22.310 1.990 ( -7.949 2.214 -9.906) 12.892 1.990 ( 7.949 2.214 9.906) 12.892 2.069 ( 10.293 19.654 -24.043) 32.715 2.069 ( -10.293 19.654 24.043) 32.715 2.452 ( -1.170 -4.860 -3.161) 5.914 2.452 ( 1.170 -4.860 3.161) 5.914 2.681 ( 3.226 -0.842 -5.147) 6.133 2.681 ( -3.226 -0.842 5.147) 6.133 2.867 ( -0.131 2.490 -7.561) 7.961 2.867 ( 0.131 2.490 7.561) 7.961 3.006 ( -5.548 -4.249 -1.761) 7.207 3.006 ( 5.548 -4.249 1.761) 7.207 3.098 ( 3.807 -1.757 -8.411) 9.398 3.098 ( -3.807 -1.757 8.411) 9.398 3.226 ( -2.208 -5.237 -0.661) 5.722 3.226 ( 2.208 -5.237 0.661) 5.722 3.401 ( 0.551 -2.714 -1.329) 3.072 3.401 ( -0.551 -2.714 1.329) 3.072 3.568 ( 1.997 -3.733 -5.219) 6.720 3.568 ( -1.997 -3.733 5.219) 6.720 3.615 ( 3.288 -1.292 -4.259) 5.533 3.615 ( -3.288 -1.292 4.259) 5.533 3.734 ( 1.396 -1.623 -3.071) 3.744 3.734 ( -1.396 -1.623 3.071) 3.744 3.825 ( 1.998 -2.213 -6.248) 6.923 3.825 ( -1.998 -2.213 6.248) 6.923 3.956 ( -5.079 -5.899 -2.127) 8.070 3.956 ( 5.079 -5.899 2.127) 8.070 4.111 ( -2.467 1.063 0.598) 2.752 4.111 ( 2.467 1.063 -0.598) 2.752 4.295 ( 7.827 -2.502 -4.362) 9.303 4.295 ( -7.827 -2.502 4.362) 9.303 4.364 ( 2.259 -4.030 -7.605) 8.898 4.364 ( -2.259 -4.030 7.605) 8.898 4.504 ( 0.640 6.423 -4.846) 8.072 4.504 ( -0.640 6.423 4.846) 8.072 4.554 ( -1.598 -5.833 -2.460) 6.529 4.554 ( 1.598 -5.833 2.460) 6.529 4.689 ( -3.660 -0.412 -2.071) 4.225 4.689 ( 3.660 -0.412 2.071) 4.225 4.881 ( 2.449 1.267 -6.999) 7.522 4.881 ( -2.449 1.267 6.999) 7.522 4.931 ( -2.156 -0.289 -1.305) 2.537 4.931 ( 2.156 -0.289 1.305) 2.537 5.010 ( 0.709 0.707 -2.429) 2.627 5.010 ( -0.709 0.707 2.429) 2.627 5.101 ( -2.568 0.578 -5.306) 5.923 5.101 ( 2.568 0.578 5.306) 5.923 5.159 ( -3.495 0.618 -2.002) 4.075 5.159 ( 3.495 0.618 2.002) 4.075 5.265 ( 1.106 3.193 -5.866) 6.770 5.265 ( -1.106 3.193 5.866) 6.770 5.362 ( -5.874 0.398 -1.336) 6.037 5.362 ( 5.874 0.398 1.336) 6.037 5.441 ( 0.942 3.009 -0.836) 3.262 5.441 ( -0.942 3.009 0.836) 3.262 5.565 ( -1.718 -1.712 -5.075) 5.625 5.565 ( 1.718 -1.712 5.075) 5.625 5.647 ( -2.739 0.241 -2.906) 4.001 5.647 ( 2.739 0.241 2.906) 4.001 5.796 ( -1.110 1.836 -2.557) 3.338 5.796 ( 1.110 1.836 2.557) 3.338 5.967 ( -6.425 1.057 -2.332) 6.916 5.967 ( 6.425 1.057 2.332) 6.916 6.133 ( 3.239 -1.942 -4.507) 5.880 6.133 ( -3.239 -1.942 4.507) 5.880 6.271 ( -3.859 3.184 -2.898) 5.782 6.271 ( 3.859 3.184 2.898) 5.782 6.387 ( 1.998 -0.601 -4.232) 4.718 6.387 ( -1.998 -0.601 4.232) 4.718 6.585 ( -0.235 -0.233 -2.065) 2.092 6.585 ( 0.235 -0.233 2.065) 2.092 6.675 ( -1.266 2.223 -4.158) 4.882 6.675 ( 1.266 2.223 4.158) 4.882 6.797 ( -1.092 -1.550 -3.155) 3.681 6.797 ( 1.092 -1.550 3.155) 3.681 6.961 ( 4.335 0.573 -4.941) 6.598 6.961 ( -4.335 0.573 4.941) 6.598 7.092 ( 0.176 1.562 -0.461) 1.639 7.092 ( -0.176 1.562 0.461) 1.639 7.313 ( -2.006 -4.250 -3.733) 6.001 7.313 ( 2.006 -4.250 3.733) 6.001 7.409 ( -3.335 -1.939 -0.957) 3.975 7.409 ( 3.335 -1.939 0.957) 3.975 7.571 ( -4.327 2.755 -0.377) 5.143 7.571 ( 4.327 2.755 0.377) 5.143 7.668 ( -0.921 0.811 -1.387) 1.852 7.668 ( 0.921 0.811 1.387) 1.852 9.617 ( -0.416 1.263 -1.308) 1.866 9.617 ( 0.416 1.263 1.308) 1.866 9.855 ( 0.263 0.831 -0.259) 0.909 9.855 ( -0.263 0.831 0.259) 0.909 10.339 ( 0.024 -2.790 -1.893) 3.371 10.339 ( -0.024 -2.790 1.893) 3.371 11.878 ( -7.924 6.133 -6.290) 11.831 11.878 ( 7.924 6.133 6.290) 11.831 12.649 ( 4.258 -0.534 -4.713) 6.374 12.649 ( -4.258 -0.534 4.713) 6.374 12.802 ( -0.800 0.852 -2.950) 3.173 12.802 ( 0.800 0.852 2.950) 3.173 12.980 ( -5.949 -3.246 0.261) 6.782 12.980 ( 5.949 -3.246 -0.261) 6.782 13.172 ( -8.249 -2.521 -2.320) 8.933 13.172 ( 8.249 -2.521 2.320) 8.933======================= Grid point 108 (50/60) =======================q-point: ( 0.14 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.914 ( 14.319 15.414 -6.126) 21.913 1.117 ( 17.094 8.714 -19.104) 27.076 1.317 ( 5.291 -1.130 13.112) 14.185 1.604 ( 13.540 3.602 8.444) 16.358 1.795 ( -3.404 6.393 7.791) 10.638 2.023 ( 1.317 18.776 -5.516) 19.613 2.075 ( 11.214 14.418 -11.888) 21.793 2.336 ( 4.255 -1.934 4.695) 6.625 2.423 ( 1.196 -3.245 0.278) 3.470 2.496 ( 1.373 2.030 3.474) 4.251 2.594 ( -6.416 1.743 0.501) 6.668 2.620 ( -0.052 2.211 -5.951) 6.349 2.831 ( -2.027 0.677 -2.726) 3.464 2.881 ( -3.261 0.124 0.680) 3.334 2.946 ( 1.049 -4.935 -2.851) 5.795 2.968 ( -4.309 -4.761 -3.216) 7.182 3.116 ( -0.296 -4.208 1.104) 4.361 3.155 ( 3.788 -2.116 3.207) 5.395 3.261 ( 0.344 1.092 2.506) 2.755 3.325 ( 2.382 -0.891 -0.845) 2.680 3.373 ( -0.804 -6.532 0.799) 6.630 3.392 ( 2.069 -3.885 1.761) 4.741 3.528 ( -3.407 -2.278 -1.238) 4.281 3.558 ( 3.229 -6.479 -0.345) 7.247 3.584 ( -3.684 -1.128 -6.013) 7.141 3.601 ( -0.784 2.725 -1.491) 3.204 3.694 ( -7.111 1.565 -2.766) 7.789 3.709 ( 0.759 -0.529 0.465) 1.035 3.837 ( 0.597 -5.711 2.618) 6.311 3.875 ( -0.804 -12.355 0.315) 12.385 3.905 ( 8.586 1.749 2.808) 9.201 4.032 ( 1.409 -2.050 1.542) 2.927 4.072 ( -2.102 2.927 1.968) 4.107 4.172 ( 3.546 -0.569 -3.422) 4.961 4.217 ( -4.387 -2.454 6.880) 8.520 4.279 ( -3.810 -4.028 -2.422) 6.051 4.348 ( 0.668 -6.249 -0.069) 6.285 4.415 ( -2.565 -2.125 2.012) 3.891 4.424 ( 0.894 -0.558 -4.457) 4.580 4.519 ( 1.600 1.047 0.479) 1.972 4.577 ( 2.602 -0.581 -0.036) 2.666 4.607 ( 1.179 -0.014 -0.226) 1.201 4.679 ( -0.695 0.277 2.938) 3.032 4.815 ( -0.929 1.099 -0.830) 1.662 4.854 ( 4.521 -0.044 2.766) 5.300 4.869 ( 0.844 1.320 -0.151) 1.574 4.924 ( -0.489 0.619 -1.954) 2.107 4.946 ( -6.296 0.427 3.692) 7.311 4.997 ( -0.129 -0.130 2.539) 2.545 5.018 ( 0.997 0.221 1.601) 1.899 5.074 ( 2.376 -1.548 1.903) 3.415 5.117 ( 3.664 4.153 -0.220) 5.543 5.150 ( -1.682 -2.165 1.264) 3.019 5.192 ( 0.563 1.710 -5.596) 5.878 5.240 ( -2.517 6.311 5.364) 8.657 5.295 ( 1.389 2.799 -1.596) 3.509 5.309 ( 1.626 -0.644 2.588) 3.123 5.410 ( -2.423 3.502 -0.247) 4.266 5.425 ( -1.369 -4.023 0.711) 4.309 5.475 ( 2.309 -0.019 0.229) 2.320 5.542 ( 3.491 -1.523 -3.009) 4.854 5.599 ( -1.234 -1.302 0.179) 1.803 5.640 ( 0.577 -1.468 1.086) 1.915 5.689 ( -2.712 -0.441 -3.615) 4.541 5.753 ( -4.880 2.830 -1.251) 5.778 5.826 ( 2.751 1.776 2.552) 4.152 5.909 ( 8.082 4.160 -1.187) 9.167 6.053 ( 0.836 1.975 -2.955) 3.652 6.102 ( -0.160 -0.440 -0.517) 0.697 6.115 ( -3.503 0.407 6.743) 7.609 6.252 ( 1.609 -2.853 1.075) 3.447 6.331 ( -3.582 -2.538 0.118) 4.392 6.355 ( -0.487 -0.773 -0.173) 0.930 6.434 ( 2.494 4.741 0.710) 5.404 6.525 ( -2.767 1.063 -3.938) 4.929 6.592 ( -1.197 1.678 -3.059) 3.689 6.600 ( -1.673 0.955 1.781) 2.624 6.671 ( -2.598 -0.551 -2.389) 3.572 6.756 ( 0.304 1.943 -2.962) 3.555 6.814 ( -2.384 0.604 -1.019) 2.662 6.898 ( -4.445 -0.360 3.752) 5.828 6.950 ( 1.110 -2.712 -4.357) 5.251 7.086 ( -1.926 2.604 1.601) 3.613 7.100 ( 0.129 -0.368 1.367) 1.422 7.243 ( -1.953 2.114 1.668) 3.327 7.309 ( -1.130 -3.891 -0.124) 4.053 7.393 ( -2.840 -3.311 -1.204) 4.525 7.399 ( -3.604 -1.866 0.286) 4.069 7.542 ( 2.685 -0.440 0.046) 2.721 7.638 ( -0.516 1.992 0.668) 2.163 7.655 ( 3.007 2.567 -2.476) 4.665 7.698 ( -1.469 0.171 2.587) 2.980 9.606 ( 0.584 1.482 -0.811) 1.788 9.649 ( 1.247 0.801 1.190) 1.900 9.854 ( 0.310 0.810 0.123) 0.876 9.866 ( 0.807 1.121 -0.247) 1.403 10.327 ( 0.882 -2.946 -1.494) 3.418 10.362 ( 0.361 -2.840 1.390) 3.183 11.696 ( -6.992 5.469 -0.651) 8.901 12.048 ( -4.126 1.879 7.080) 8.407 12.555 ( -5.587 0.807 -5.642) 7.981 12.655 ( -0.121 2.011 1.863) 2.744 12.774 ( 1.683 1.810 -3.191) 4.036 12.875 ( 4.662 -3.160 2.543) 6.180 12.887 ( 0.370 -2.502 0.619) 2.604 13.065 ( 6.881 -1.503 -1.810) 7.272 13.088 ( 0.205 1.263 -2.093) 2.453 13.347 ( 8.284 -4.719 -1.343) 9.628======================= Grid point 109 (51/60) =======================q-point: ( 0.29 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.220 ( 14.131 5.089 -1.790) 15.126 1.302 ( 20.313 3.393 -12.324) 24.001 1.544 ( 10.683 0.192 2.526) 10.979 1.760 ( 2.351 5.120 4.420) 7.161 2.006 ( 6.274 4.950 13.112) 15.355 2.122 ( 6.061 10.783 7.022) 14.224 2.238 ( -4.046 -0.028 -1.110) 4.196 2.249 ( 18.052 7.809 -10.390) 22.245 2.429 ( -5.429 0.176 -1.971) 5.778 2.462 ( 0.527 1.031 -0.990) 1.524 2.574 ( -0.393 0.897 2.615) 2.792 2.663 ( 0.558 11.273 -0.964) 11.328 2.731 ( -1.331 1.721 -3.024) 3.726 2.810 ( -2.624 0.492 -6.026) 6.591 2.837 ( -2.529 2.625 -4.907) 6.112 2.980 ( 5.228 -3.525 -1.178) 6.414 3.107 ( -2.324 -4.857 -3.793) 6.586 3.171 ( -2.231 -1.686 -0.381) 2.822 3.245 ( -0.180 -7.284 0.782) 7.329 3.296 ( -3.158 0.418 0.062) 3.186 3.362 ( -1.657 -1.597 -2.446) 3.359 3.405 ( -1.123 -0.703 1.636) 2.105 3.431 ( -2.827 -2.780 3.219) 5.107 3.496 ( -0.962 -0.575 -0.668) 1.305 3.568 ( 0.260 -0.670 -2.981) 3.066 3.599 ( 2.553 -9.029 -1.521) 9.505 3.736 ( 2.697 -2.660 3.434) 5.113 3.788 ( -0.264 -2.505 2.886) 3.831 3.818 ( -0.072 -0.421 -0.290) 0.516 3.932 ( 5.922 -9.543 0.244) 11.234 4.033 ( 0.503 -3.023 -1.296) 3.327 4.061 ( -0.908 7.646 4.796) 9.071 4.095 ( 2.821 -1.204 -0.326) 3.084 4.163 ( 2.577 -4.786 -2.846) 6.136 4.225 ( 1.026 -3.705 -1.213) 4.031 4.283 ( -5.178 -4.136 0.713) 6.666 4.291 ( -1.245 -4.512 7.291) 8.664 4.379 ( 2.796 -0.535 0.619) 2.914 4.481 ( 1.374 -0.255 0.871) 1.647 4.538 ( 0.766 -0.204 1.434) 1.639 4.602 ( -0.540 4.600 1.972) 5.034 4.615 ( 3.746 0.483 -3.718) 5.300 4.672 ( -4.639 0.266 -0.127) 4.648 4.785 ( 1.535 2.518 -0.833) 3.064 4.801 ( -2.800 1.078 -3.055) 4.282 4.851 ( -2.351 -0.537 -0.972) 2.600 4.896 ( -3.796 0.807 -0.300) 3.893 4.945 ( -0.724 1.817 -0.718) 2.084 5.049 ( 1.188 0.839 -0.305) 1.486 5.095 ( -0.442 -0.705 0.424) 0.934 5.113 ( 1.650 -1.899 2.410) 3.484 5.157 ( -1.575 -2.353 4.054) 4.945 5.168 ( 2.177 -1.678 -4.464) 5.242 5.196 ( 2.153 2.207 3.080) 4.358 5.254 ( 1.856 2.673 0.305) 3.268 5.294 ( -1.273 1.176 4.065) 4.419 5.322 ( 0.089 -2.730 -0.181) 2.737 5.392 ( 0.432 -2.712 4.726) 5.466 5.421 ( -3.734 0.573 6.151) 7.218 5.488 ( 2.245 2.489 -1.507) 3.675 5.559 ( -2.540 1.948 -0.381) 3.223 5.575 ( 1.051 1.461 -2.149) 2.803 5.632 ( -0.088 -0.081 -1.611) 1.615 5.667 ( 6.121 -1.383 -4.951) 7.994 5.702 ( 0.977 1.649 2.097) 2.841 5.857 ( -0.272 4.898 -1.531) 5.139 5.940 ( -4.251 1.300 -2.383) 5.044 6.090 ( -1.533 -1.168 2.978) 3.548 6.116 ( 3.191 0.223 1.719) 3.631 6.156 ( -5.805 -2.697 2.739) 6.962 6.229 ( -0.474 2.386 4.855) 5.431 6.319 ( -0.735 -3.625 1.435) 3.968 6.349 ( 0.187 -1.315 2.653) 2.966 6.382 ( -1.938 1.983 -5.336) 6.014 6.484 ( 0.522 2.003 -1.775) 2.726 6.526 ( 1.666 1.779 -4.306) 4.948 6.603 ( -1.548 -1.005 1.398) 2.315 6.621 ( 0.333 0.934 -3.292) 3.438 6.685 ( -4.149 1.907 -3.105) 5.522 6.741 ( -1.088 0.485 -1.489) 1.907 6.902 ( -1.394 0.026 2.065) 2.491 6.929 ( 0.635 -4.838 -3.552) 6.035 7.074 ( -1.269 3.684 2.762) 4.776 7.123 ( 0.051 -1.391 2.254) 2.649 7.229 ( -6.822 -2.822 -0.199) 7.385 7.279 ( -0.706 2.918 1.052) 3.181 7.312 ( -1.663 -0.983 0.976) 2.164 7.351 ( -1.216 -1.768 -1.223) 2.470 7.543 ( -1.864 0.197 -2.710) 3.295 7.634 ( 0.050 0.564 -0.402) 0.695 7.657 ( 2.069 1.557 -4.188) 4.924 7.713 ( -0.229 1.647 4.362) 4.669 9.621 ( 1.543 1.495 -0.106) 2.151 9.676 ( 0.342 0.548 0.935) 1.136 9.865 ( 0.995 0.919 -0.395) 1.411 9.878 ( 0.449 1.397 0.267) 1.491 10.338 ( 1.591 -3.184 -0.973) 3.690 10.376 ( -0.093 -2.895 0.613) 2.961 11.605 ( -3.781 3.997 1.665) 5.748 11.874 ( -10.645 2.109 -3.724) 11.474 12.480 ( 1.501 4.018 -2.260) 4.848 12.659 ( -2.859 4.993 2.777) 6.389 12.801 ( 2.950 -0.807 -1.414) 3.370 12.901 ( 0.131 -2.724 -0.552) 2.782 13.002 ( 3.215 -1.911 3.704) 5.263 13.088 ( 2.449 0.896 -3.038) 4.004 13.239 ( 8.432 -5.420 5.205) 11.294 13.437 ( 4.406 -3.971 -2.522) 6.445======================= Grid point 110 (52/60) =======================q-point: ( 0.43 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.318 ( 7.213 3.485 -2.567) 8.412 1.458 ( -2.464 1.590 -5.145) 5.922 1.745 ( 17.999 -2.305 -0.397) 18.150 1.942 ( 3.809 3.712 4.125) 6.730 2.053 ( -2.910 1.592 -1.453) 3.622 2.196 ( -4.988 -0.613 -2.545) 5.633 2.264 ( 2.820 4.036 8.076) 9.459 2.339 ( 5.483 4.504 1.474) 7.247 2.416 ( -4.926 2.387 2.803) 6.149 2.486 ( -3.261 4.260 -6.088) 8.115 2.562 ( 1.474 4.093 3.283) 5.450 2.617 ( -6.119 4.155 1.959) 7.651 2.689 ( -2.664 2.900 -1.280) 4.141 2.699 ( 2.802 -0.228 -4.824) 5.583 2.936 ( 11.526 2.514 -1.087) 11.847 3.016 ( 1.146 2.312 -0.049) 2.581 3.092 ( 0.394 2.501 -1.410) 2.898 3.108 ( 7.558 -3.596 -6.245) 10.443 3.238 ( -3.233 -1.070 2.738) 4.370 3.282 ( -2.773 -1.558 1.738) 3.625 3.369 ( 1.091 -5.628 4.371) 7.209 3.426 ( 2.447 -2.010 -1.343) 3.440 3.463 ( 2.868 -0.681 1.401) 3.264 3.514 ( 2.445 1.551 1.759) 3.388 3.558 ( -1.519 -0.735 1.116) 2.023 3.632 ( 0.648 -8.085 0.461) 8.124 3.693 ( -3.929 -5.748 -2.884) 7.536 3.762 ( -5.918 -2.254 -1.733) 6.566 3.800 ( 4.509 1.329 -2.551) 5.348 3.917 ( -5.107 -1.377 -2.979) 6.070 4.068 ( -0.162 3.078 3.830) 4.916 4.110 ( 3.733 -5.775 -1.461) 7.031 4.129 ( 0.343 -5.926 1.191) 6.055 4.154 ( -0.078 -4.852 -3.695) 6.099 4.184 ( -4.231 -1.617 -1.212) 4.689 4.206 ( -5.146 -2.959 2.300) 6.366 4.323 ( 4.341 -4.176 3.274) 6.856 4.455 ( -2.551 -2.702 0.799) 3.801 4.493 ( -0.788 0.937 -0.608) 1.367 4.539 ( -2.126 -2.439 -1.329) 3.498 4.592 ( 1.711 1.204 3.504) 4.081 4.647 ( 4.254 5.471 -5.183) 8.654 4.681 ( 5.434 2.717 -2.036) 6.407 4.712 ( -3.728 6.603 3.861) 8.509 4.774 ( 1.170 1.623 -6.095) 6.415 4.809 ( -4.497 0.040 0.744) 4.558 4.863 ( -2.093 -0.668 6.011) 6.400 4.957 ( -2.716 -1.555 -4.511) 5.490 4.995 ( 3.704 0.953 -0.576) 3.868 5.055 ( -0.400 0.523 -0.342) 0.743 5.122 ( 0.742 -4.426 -1.205) 4.647 5.162 ( -4.336 -1.047 2.737) 5.233 5.216 ( 4.669 -0.768 -0.198) 4.736 5.253 ( 2.662 -0.491 2.255) 3.523 5.306 ( -0.300 0.392 -0.940) 1.062 5.328 ( -1.802 -0.054 -0.085) 1.805 5.360 ( 3.743 0.247 5.774) 6.885 5.436 ( -1.686 -2.559 7.479) 8.082 5.466 ( 2.577 -1.137 -0.365) 2.840 5.488 ( -3.643 1.777 -1.292) 4.254 5.530 ( 2.965 1.633 -0.288) 3.397 5.583 ( 0.803 2.224 -2.095) 3.159 5.641 ( 3.776 1.245 0.982) 4.096 5.751 ( 3.247 -0.287 -0.385) 3.282 5.775 ( -4.386 3.423 4.709) 7.289 5.821 ( 7.658 1.495 -4.648) 9.082 5.855 ( -3.783 1.938 0.935) 4.352 6.015 ( -6.568 0.764 -1.831) 6.861 6.041 ( -2.548 1.045 -2.312) 3.595 6.059 ( -7.701 0.830 -2.089) 8.022 6.223 ( -0.145 0.409 0.700) 0.824 6.267 ( -4.646 -3.120 1.672) 5.840 6.424 ( 4.357 -0.884 2.248) 4.982 6.442 ( 3.352 0.213 2.541) 4.211 6.487 ( 0.552 -2.579 -1.791) 3.188 6.532 ( -4.370 -0.461 -2.427) 5.020 6.592 ( 2.385 0.886 -2.758) 3.752 6.613 ( -3.189 1.315 2.980) 4.559 6.631 ( 9.502 3.729 -1.118) 10.269 6.754 ( 0.766 -3.851 2.045) 4.427 6.835 ( -6.873 2.306 0.228) 7.253 6.863 ( -1.240 -5.376 -6.419) 8.464 7.098 ( -0.460 1.068 3.148) 3.356 7.113 ( -0.045 0.136 -1.734) 1.740 7.179 ( 0.376 -0.902 2.475) 2.661 7.239 ( -4.155 0.596 -0.790) 4.271 7.309 ( 1.277 2.981 1.880) 3.749 7.350 ( -0.194 -0.409 -1.089) 1.179 7.507 ( -0.035 1.355 1.570) 2.074 7.569 ( -2.013 1.547 -4.651) 5.298 7.698 ( 3.974 -0.531 -1.436) 4.259 7.737 ( -2.327 0.148 3.015) 3.811 9.653 ( 1.787 1.110 0.103) 2.106 9.678 ( -0.945 0.685 0.400) 1.234 9.879 ( 0.999 1.198 -0.641) 1.686 9.885 ( -0.339 1.450 0.626) 1.615 10.358 ( 1.375 -3.193 -0.524) 3.516 10.373 ( -0.715 -3.017 0.276) 3.113 11.598 ( 0.238 3.118 3.242) 4.505 11.686 ( -5.175 2.786 -4.041) 7.132 12.524 ( 4.163 4.779 0.042) 6.338 12.608 ( -4.456 5.146 0.249) 6.811 12.842 ( 2.041 -1.741 0.571) 2.743 12.881 ( -1.008 -2.094 -1.274) 2.650 13.070 ( 0.728 -0.669 2.879) 3.044 13.095 ( 1.511 0.109 -3.091) 3.442 13.401 ( 2.840 -5.706 4.963) 8.078 13.457 ( 1.144 -4.344 -3.241) 5.540======================= Grid point 114 (53/60) =======================q-point: ( 0.00 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( 0.293 10.995 -5.299) 12.209 1.156 ( -0.293 10.995 5.299) 12.209 1.547 ( -3.797 15.779 -8.292) 18.225 1.547 ( 3.797 15.779 8.292) 18.225 2.030 ( -5.081 3.049 -10.596) 12.140 2.030 ( 5.081 3.049 10.596) 12.140 2.286 ( 1.709 -2.321 -5.861) 6.532 2.286 ( -1.709 -2.321 5.861) 6.532 2.565 ( 0.432 10.985 -11.055) 15.591 2.565 ( -0.432 10.985 11.055) 15.591 2.684 ( 6.378 7.758 -5.181) 11.301 2.684 ( -6.378 7.758 5.181) 11.301 2.866 ( 3.207 -7.331 -5.047) 9.460 2.866 ( -3.207 -7.331 5.047) 9.460 2.925 ( 1.300 1.584 -1.527) 2.556 2.925 ( -1.300 1.584 1.527) 2.556 3.025 ( 3.397 -5.548 -5.808) 8.721 3.025 ( -3.397 -5.548 5.808) 8.721 3.140 ( 0.169 -3.039 -7.357) 7.962 3.140 ( -0.169 -3.039 7.357) 7.962 3.337 ( -3.555 -4.113 -0.627) 5.473 3.337 ( 3.555 -4.113 0.627) 5.473 3.446 ( -1.582 -5.906 -2.510) 6.610 3.446 ( 1.582 -5.906 2.510) 6.610 3.590 ( 0.515 -0.250 -7.443) 7.465 3.590 ( -0.515 -0.250 7.443) 7.465 3.741 ( -1.485 -1.094 -1.710) 2.515 3.741 ( 1.485 -1.094 1.710) 2.515 3.767 ( -3.323 0.281 -5.828) 6.715 3.767 ( 3.323 0.281 5.828) 6.715 3.904 ( -1.341 -1.403 -3.210) 3.751 3.904 ( 1.341 -1.403 3.210) 3.751 4.071 ( 2.724 -3.761 -5.568) 7.251 4.071 ( -2.724 -3.761 5.568) 7.251 4.228 ( 1.986 -5.442 -6.829) 8.955 4.228 ( -1.986 -5.442 6.829) 8.955 4.263 ( 0.097 -3.229 -7.791) 8.434 4.263 ( -0.097 -3.229 7.791) 8.434 4.497 ( -0.051 0.101 -1.946) 1.950 4.497 ( 0.051 0.101 1.946) 1.950 4.619 ( -1.004 0.575 -4.019) 4.182 4.619 ( 1.004 0.575 4.019) 4.182 4.695 ( -4.045 3.157 -3.344) 6.124 4.695 ( 4.045 3.157 3.344) 6.124 4.852 ( -0.716 -2.383 -5.421) 5.965 4.852 ( 0.716 -2.383 5.421) 5.965 4.908 ( 1.222 -3.224 -3.584) 4.973 4.908 ( -1.222 -3.224 3.584) 4.973 4.996 ( -3.192 -0.162 -3.135) 4.477 4.996 ( 3.192 -0.162 3.135) 4.477 5.102 ( -0.736 -0.817 -2.429) 2.666 5.102 ( 0.736 -0.817 2.429) 2.666 5.198 ( -1.608 -0.632 -2.334) 2.904 5.198 ( 1.608 -0.632 2.334) 2.904 5.269 ( 0.318 -0.641 -1.890) 2.021 5.269 ( -0.318 -0.641 1.890) 2.021 5.408 ( -2.396 2.006 -3.644) 4.800 5.408 ( 2.396 2.006 3.644) 4.800 5.492 ( 0.729 1.887 -3.526) 4.065 5.492 ( -0.729 1.887 3.526) 4.065 5.542 ( 0.454 1.746 -2.614) 3.176 5.542 ( -0.454 1.746 2.614) 3.176 5.674 ( -1.922 3.151 -2.438) 4.424 5.674 ( 1.922 3.151 2.438) 4.424 5.856 ( -1.583 3.141 -3.967) 5.302 5.856 ( 1.583 3.141 3.967) 5.302 5.978 ( -2.667 -1.405 -3.415) 4.555 5.978 ( 2.667 -1.405 3.415) 4.555 6.098 ( 1.873 -0.006 -3.739) 4.182 6.098 ( -1.873 -0.006 3.739) 4.182 6.308 ( -4.208 -0.403 -1.665) 4.543 6.308 ( 4.208 -0.403 1.665) 4.543 6.381 ( -3.638 0.286 -5.137) 6.301 6.381 ( 3.638 0.286 5.137) 6.301 6.533 ( 0.149 -4.136 -3.608) 5.491 6.533 ( -0.149 -4.136 3.608) 5.491 6.737 ( -1.123 2.631 -1.766) 3.362 6.737 ( 1.123 2.631 1.766) 3.362 6.794 ( -0.769 1.872 -1.900) 2.776 6.794 ( 0.769 1.872 1.900) 2.776 6.958 ( 0.458 -0.202 -3.204) 3.243 6.958 ( -0.458 -0.202 3.204) 3.243 7.116 ( 0.591 -0.563 -1.148) 1.408 7.116 ( -0.591 -0.563 1.148) 1.408 7.258 ( -2.574 -0.788 -1.753) 3.212 7.258 ( 2.574 -0.788 1.753) 3.212 7.383 ( 1.346 -0.513 -3.150) 3.464 7.383 ( -1.346 -0.513 3.150) 3.464 7.594 ( -2.744 0.161 -2.748) 3.887 7.594 ( 2.744 0.161 2.748) 3.887 7.708 ( 1.238 2.496 -0.889) 2.924 7.708 ( -1.238 2.496 0.889) 2.924 9.649 ( -0.495 1.887 -0.283) 1.971 9.649 ( 0.495 1.887 0.283) 1.971 9.872 ( 0.439 0.795 -0.443) 1.010 9.872 ( -0.439 0.795 0.443) 1.010 10.271 ( -0.187 -3.761 -1.217) 3.958 10.271 ( 0.187 -3.761 1.217) 3.958 12.008 ( -4.744 6.233 -6.282) 10.041 12.008 ( 4.744 6.233 6.282) 10.041 12.642 ( 3.841 -0.098 -3.469) 5.176 12.642 ( -3.841 -0.098 3.469) 5.176 12.795 ( 0.262 -1.547 -1.633) 2.264 12.795 ( -0.262 -1.547 1.633) 2.264 12.948 ( -1.982 0.346 -2.790) 3.440 12.948 ( 1.982 0.346 2.790) 3.440 13.124 ( -2.903 -2.208 -2.176) 4.247 13.124 ( 2.903 -2.208 2.176) 4.247======================= Grid point 116 (54/60) =======================q-point: ( 0.14 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( 6.481 12.238 3.463) 14.274 1.356 ( 15.081 12.701 -4.733) 20.277 1.496 ( 4.669 17.192 -1.664) 17.892 1.698 ( 6.784 7.563 -0.142) 10.161 1.948 ( 0.982 8.648 9.276) 12.720 2.194 ( 3.105 -5.612 2.526) 6.894 2.291 ( 5.109 3.765 -5.999) 8.733 2.363 ( -4.726 6.740 8.765) 12.024 2.394 ( 0.353 -0.121 -6.242) 6.253 2.586 ( -8.003 -0.215 1.134) 8.085 2.625 ( -0.914 4.695 -2.493) 5.394 2.725 ( 7.216 8.836 -6.073) 12.924 2.786 ( 1.533 -4.682 -8.391) 9.730 2.846 ( 1.037 -2.087 -2.051) 3.104 2.896 ( -0.278 -1.016 -1.175) 1.578 2.927 ( 2.959 1.327 -0.909) 3.368 3.008 ( -3.023 -3.388 5.669) 7.263 3.123 ( 3.418 -1.520 -2.809) 4.678 3.192 ( 2.819 -5.672 4.784) 7.938 3.263 ( -3.239 -6.536 0.936) 7.354 3.291 ( 4.220 -1.730 4.001) 6.067 3.341 ( -2.894 0.841 -1.468) 3.352 3.464 ( 0.904 -0.822 0.642) 1.380 3.479 ( 3.076 -4.414 1.596) 5.612 3.576 ( -0.239 -9.340 -3.934) 10.137 3.591 ( -5.274 0.967 -5.688) 7.816 3.630 ( -3.071 -0.029 1.499) 3.418 3.726 ( -0.696 -0.353 -7.881) 7.919 3.752 ( 3.545 -2.011 2.164) 4.615 3.796 ( -4.192 4.248 5.208) 7.921 3.902 ( 8.474 -1.448 0.162) 8.598 3.965 ( 2.389 -3.006 1.771) 4.229 4.097 ( 0.660 -3.534 2.020) 4.124 4.127 ( -0.697 -7.924 -3.742) 8.791 4.145 ( -3.801 -0.116 2.872) 4.765 4.182 ( 3.328 -4.112 -0.597) 5.323 4.259 ( -2.361 -0.796 2.381) 3.447 4.371 ( 3.252 -2.364 3.710) 5.471 4.416 ( -2.774 0.189 -0.827) 2.900 4.502 ( -1.489 -1.191 -2.556) 3.188 4.605 ( -3.217 0.187 0.199) 3.228 4.619 ( 4.770 1.945 -2.639) 5.788 4.713 ( 3.362 -0.220 1.807) 3.823 4.787 ( -1.769 -1.574 -1.345) 2.723 4.824 ( 4.654 -2.734 0.249) 5.403 4.859 ( -0.275 -1.709 -1.332) 2.184 4.901 ( -2.365 -0.206 -2.022) 3.118 4.930 ( -5.410 -1.818 9.056) 10.704 5.003 ( 5.817 -2.748 5.813) 8.671 5.007 ( -3.387 -1.228 -0.830) 3.697 5.054 ( -0.402 -0.428 0.531) 0.792 5.103 ( 1.789 0.943 1.981) 2.831 5.197 ( -1.799 0.113 1.452) 2.315 5.260 ( -0.558 -0.153 -0.831) 1.012 5.273 ( 1.759 -2.090 -1.716) 3.226 5.307 ( 3.111 -2.403 -2.440) 4.627 5.346 ( 1.898 3.764 1.701) 4.546 5.409 ( -3.987 7.955 1.085) 8.964 5.415 ( -3.918 -0.920 -0.649) 4.077 5.529 ( 0.661 0.447 3.945) 4.025 5.566 ( 0.559 0.922 -0.509) 1.193 5.572 ( 0.560 4.180 -0.934) 4.320 5.637 ( 1.796 0.778 -3.844) 4.314 5.700 ( -3.910 1.810 -1.615) 4.601 5.802 ( 1.379 0.490 1.998) 2.477 5.868 ( -0.018 4.121 -0.345) 4.136 5.990 ( 5.327 1.705 0.025) 5.593 6.056 ( -0.657 -2.635 -2.609) 3.767 6.087 ( 0.394 1.237 1.937) 2.332 6.119 ( 1.269 0.399 3.070) 3.346 6.231 ( -1.591 -0.847 0.764) 1.957 6.272 ( -3.180 -2.845 -2.529) 4.960 6.334 ( -2.583 -0.639 0.407) 2.692 6.495 ( 1.933 -3.083 -0.210) 3.645 6.517 ( 2.843 1.850 -2.201) 4.043 6.560 ( -1.002 -2.049 3.052) 3.810 6.650 ( -5.385 3.145 -0.708) 6.276 6.707 ( -3.544 3.131 -3.247) 5.736 6.785 ( 0.350 0.403 -4.940) 4.969 6.810 ( 1.300 -0.331 2.078) 2.474 6.870 ( -6.783 -2.100 1.122) 7.189 6.938 ( -1.605 1.320 -3.229) 3.840 7.105 ( 0.220 0.606 -1.256) 1.412 7.123 ( 0.816 -0.795 0.384) 1.202 7.199 ( -3.046 -2.243 0.752) 3.857 7.313 ( -0.188 1.881 2.489) 3.125 7.337 ( -0.628 -1.553 -4.473) 4.777 7.385 ( -1.951 -0.051 2.487) 3.162 7.556 ( 0.566 1.640 0.568) 1.826 7.666 ( 0.280 -0.486 1.537) 1.636 7.691 ( -1.060 1.795 2.134) 2.983 7.718 ( 0.493 1.869 -1.278) 2.317 9.646 ( 0.397 2.308 -0.050) 2.342 9.669 ( 1.267 1.304 0.205) 1.830 9.873 ( 0.344 0.950 0.190) 1.028 9.885 ( 0.975 0.682 -0.178) 1.204 10.259 ( 0.347 -3.600 -0.940) 3.737 10.289 ( 0.386 -4.220 0.825) 4.317 11.834 ( -8.111 7.728 -0.957) 11.244 12.077 ( -7.328 0.623 4.837) 8.802 12.595 ( -0.680 3.175 -3.115) 4.499 12.693 ( 5.907 1.708 -1.181) 6.261 12.802 ( -0.397 -0.283 0.907) 1.030 12.806 ( 2.956 -2.393 -1.016) 3.937 12.892 ( 0.126 2.206 0.826) 2.360 13.031 ( 5.066 -1.487 -1.717) 5.552 13.092 ( 0.724 -0.423 -1.808) 1.993 13.241 ( 6.063 -5.519 1.355) 8.310======================= Grid point 117 (55/60) =======================q-point: ( 0.29 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( 6.389 8.333 -0.397) 10.507 1.502 ( 11.352 15.696 -6.918) 20.569 1.623 ( 7.542 6.209 -2.820) 10.168 1.856 ( 5.998 5.418 4.859) 9.431 2.127 ( 4.893 6.725 9.304) 12.479 2.183 ( -1.891 -0.100 -1.267) 2.278 2.342 ( 1.656 -1.442 -3.100) 3.799 2.369 ( 2.554 6.731 5.684) 9.173 2.429 ( -2.786 2.094 0.793) 3.574 2.502 ( 1.360 2.903 3.075) 4.442 2.559 ( 2.651 -0.883 -2.186) 3.547 2.783 ( -0.939 0.650 0.107) 1.147 2.801 ( 1.420 0.497 -1.660) 2.240 2.854 ( 2.186 -0.643 -0.442) 2.321 2.924 ( 1.364 4.491 -3.001) 5.571 2.958 ( 7.759 4.056 -5.649) 10.419 3.064 ( 1.597 -7.920 -1.796) 8.276 3.076 ( -0.298 2.384 -3.730) 4.437 3.124 ( -3.269 -3.305 -0.748) 4.708 3.292 ( 0.510 -1.210 0.454) 1.390 3.314 ( -4.591 -6.597 -1.216) 8.129 3.336 ( -1.228 -0.877 -5.075) 5.294 3.409 ( -6.875 -4.078 1.999) 8.240 3.435 ( 7.382 4.490 2.181) 8.911 3.497 ( 0.679 0.879 0.551) 1.240 3.580 ( 0.155 -6.334 -1.688) 6.557 3.628 ( 0.396 -1.748 -6.301) 6.551 3.709 ( -2.176 -3.688 3.820) 5.738 3.763 ( 6.267 -5.501 1.698) 8.510 3.844 ( 0.554 -1.618 -0.804) 1.890 3.937 ( -3.975 -5.007 -0.038) 6.393 4.050 ( -0.209 -0.993 -2.432) 2.635 4.077 ( -0.537 -5.087 -0.062) 5.115 4.120 ( 6.802 -2.960 -2.451) 7.813 4.175 ( -2.958 -4.984 1.607) 6.014 4.226 ( 2.926 3.066 -0.509) 4.268 4.285 ( 0.680 3.894 6.078) 7.250 4.389 ( 0.306 -1.132 2.565) 2.820 4.448 ( -0.049 -5.186 -0.008) 5.186 4.527 ( 3.662 1.954 2.221) 4.707 4.572 ( 0.501 1.901 5.675) 6.006 4.693 ( 4.427 1.238 -1.257) 4.766 4.714 ( -3.476 -1.800 -1.237) 4.106 4.751 ( -1.144 -3.265 -0.395) 3.482 4.792 ( 0.950 -1.498 -4.417) 4.760 4.852 ( -3.309 1.292 2.752) 4.493 4.889 ( -2.683 0.172 3.409) 4.341 4.941 ( -2.727 -5.019 -0.500) 5.734 5.005 ( 4.573 -1.107 -0.971) 4.804 5.058 ( 1.214 -0.803 4.703) 4.923 5.115 ( -3.416 -0.045 -1.219) 3.628 5.133 ( -3.363 -2.341 -2.261) 4.680 5.176 ( 0.393 -2.217 -2.687) 3.505 5.220 ( 3.623 0.980 -0.274) 3.763 5.284 ( 2.795 -0.282 -3.313) 4.344 5.309 ( 0.923 1.658 5.862) 6.162 5.343 ( -0.442 5.127 -0.800) 5.208 5.356 ( -2.941 3.694 0.872) 4.802 5.497 ( -1.420 4.898 6.159) 7.996 5.530 ( 2.457 -2.053 2.937) 4.345 5.560 ( -0.041 2.208 -1.340) 2.583 5.611 ( 1.430 -0.838 2.936) 3.371 5.632 ( 1.016 -0.845 -1.758) 2.200 5.638 ( 3.705 1.805 -4.663) 6.223 5.787 ( -2.922 5.678 -0.417) 6.399 5.930 ( 2.291 1.155 1.032) 2.766 5.971 ( -3.820 0.955 -2.169) 4.496 6.049 ( -2.657 -2.213 -0.784) 3.545 6.090 ( -2.252 -0.282 3.456) 4.135 6.147 ( -1.028 0.882 0.724) 1.536 6.213 ( -4.120 -5.647 5.294) 8.768 6.274 ( 0.786 -0.792 5.495) 5.607 6.350 ( 3.823 2.039 1.949) 4.751 6.440 ( -2.712 2.975 -6.770) 7.876 6.467 ( -2.808 -1.766 -1.824) 3.785 6.564 ( -2.473 -1.144 -2.169) 3.482 6.603 ( 3.709 3.087 0.297) 4.835 6.622 ( -0.809 0.024 -5.417) 5.477 6.717 ( -4.114 0.482 -1.859) 4.541 6.753 ( -2.511 -0.074 -2.558) 3.585 6.826 ( -1.979 -3.727 -5.349) 6.813 6.899 ( 0.298 -0.611 3.255) 3.325 7.099 ( -1.999 -1.254 1.437) 2.763 7.131 ( -0.272 -0.511 -0.167) 0.603 7.182 ( -0.901 1.550 2.660) 3.208 7.289 ( 1.387 -0.823 -3.035) 3.437 7.339 ( -0.465 2.047 2.533) 3.289 7.350 ( -3.122 0.669 -0.196) 3.199 7.561 ( -1.124 1.913 -0.600) 2.298 7.651 ( 0.016 0.876 0.502) 1.010 7.690 ( -1.334 1.329 -2.945) 3.495 7.728 ( -0.401 0.117 4.003) 4.024 9.661 ( 1.161 2.402 0.143) 2.672 9.692 ( 0.883 1.104 0.121) 1.419 9.885 ( 1.000 0.910 -0.315) 1.388 9.901 ( 0.585 0.734 0.376) 1.011 10.264 ( 1.021 -3.837 -0.510) 4.003 10.299 ( 0.007 -4.516 0.282) 4.525 11.711 ( -5.010 6.219 0.641) 8.012 11.908 ( -10.612 0.905 -0.511) 10.663 12.586 ( 2.519 6.382 -1.415) 7.005 12.752 ( 0.678 1.765 -0.965) 2.123 12.813 ( -0.430 2.624 2.232) 3.472 12.853 ( 1.795 0.032 -1.388) 2.269 12.969 ( 3.850 -1.959 4.621) 6.326 13.091 ( 1.783 -0.395 -2.892) 3.420 13.128 ( 7.017 -5.044 0.247) 8.646 13.332 ( 3.508 -6.455 -1.121) 7.431======================= Grid point 118 (56/60) =======================q-point: ( 0.43 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.424 ( 4.398 6.936 -0.276) 8.218 1.536 ( -3.600 5.564 -4.663) 8.103 1.776 ( 14.922 6.290 0.236) 16.195 2.025 ( -1.673 4.355 5.758) 7.410 2.092 ( -2.332 2.089 -3.842) 4.956 2.208 ( -2.835 0.503 -2.174) 3.608 2.337 ( 7.077 3.582 7.103) 10.648 2.459 ( 5.042 6.653 -0.944) 8.401 2.481 ( -0.452 4.665 5.926) 7.555 2.548 ( -0.391 1.972 -2.699) 3.365 2.658 ( -7.352 3.114 -0.245) 7.988 2.689 ( -6.608 3.645 -0.478) 7.562 2.709 ( 5.093 3.983 -1.570) 6.653 2.820 ( -4.146 9.238 -4.117) 10.931 2.922 ( 4.361 -2.554 0.397) 5.069 2.994 ( -0.270 -4.050 -2.852) 4.961 3.022 ( 6.817 -4.427 -1.986) 8.368 3.139 ( -3.670 -3.111 4.851) 6.832 3.182 ( -0.680 -8.717 -4.149) 9.678 3.227 ( 2.816 -2.115 1.935) 4.019 3.256 ( -0.593 -7.111 -0.166) 7.138 3.311 ( -0.369 -1.595 -2.543) 3.024 3.440 ( 4.136 -5.717 4.333) 8.281 3.516 ( 0.951 0.504 2.763) 2.965 3.530 ( -1.472 -3.695 -3.099) 5.043 3.580 ( 1.549 -0.220 -1.366) 2.077 3.621 ( 1.356 -1.983 0.067) 2.403 3.693 ( 2.077 3.357 -0.764) 4.021 3.822 ( 1.316 -3.381 1.441) 3.904 3.867 ( 3.654 -2.698 -3.709) 5.864 3.935 ( 0.449 -8.670 2.569) 9.053 4.017 ( -3.243 2.386 -1.445) 4.277 4.085 ( 0.821 0.121 2.122) 2.279 4.145 ( 3.034 -1.048 -3.662) 4.869 4.160 ( -0.374 -2.465 -0.432) 2.530 4.198 ( -2.079 0.951 -0.148) 2.291 4.336 ( -1.380 2.185 6.374) 6.878 4.430 ( -2.305 0.989 -3.758) 4.518 4.460 ( -0.072 -3.158 1.646) 3.562 4.514 ( -2.908 2.054 -0.881) 3.668 4.591 ( -0.279 -2.334 1.530) 2.805 4.650 ( 1.398 0.244 -2.265) 2.673 4.693 ( -2.069 -4.023 -1.405) 4.737 4.789 ( -5.519 -2.215 0.079) 5.947 4.819 ( 5.392 0.893 -0.165) 5.468 4.844 ( 1.100 2.094 2.181) 3.218 4.870 ( 1.416 2.816 -1.269) 3.398 4.903 ( 0.190 -1.857 2.198) 2.884 4.989 ( -4.188 -2.732 -2.230) 5.476 5.023 ( -3.446 -3.234 -0.656) 4.771 5.085 ( 2.823 0.921 0.511) 3.013 5.135 ( 0.375 -1.308 0.325) 1.399 5.198 ( 0.982 -2.901 0.635) 3.128 5.202 ( -0.129 -1.718 -1.952) 2.604 5.317 ( 2.524 2.306 1.157) 3.609 5.367 ( 1.023 2.438 1.904) 3.258 5.401 ( 0.505 0.722 3.095) 3.218 5.410 ( 5.824 3.785 1.599) 7.128 5.473 ( -0.618 0.784 -2.047) 2.277 5.522 ( -2.176 2.182 -2.073) 3.714 5.593 ( 1.295 3.962 0.183) 4.173 5.610 ( -1.302 -0.418 -2.004) 2.426 5.691 ( 2.867 1.040 2.947) 4.241 5.717 ( 1.025 0.462 3.093) 3.291 5.803 ( 6.929 -1.304 2.435) 7.460 5.851 ( -5.200 1.651 -1.645) 5.699 5.887 ( -5.674 0.855 0.158) 5.741 6.012 ( -8.223 -1.493 0.116) 8.358 6.046 ( 1.657 1.309 1.266) 2.462 6.110 ( -2.029 2.234 -2.091) 3.672 6.215 ( -0.159 -1.049 3.319) 3.484 6.281 ( -3.144 4.790 -3.711) 6.827 6.392 ( 3.137 -3.104 4.031) 5.977 6.436 ( -0.319 -1.237 1.241) 1.781 6.443 ( 1.078 -0.622 -0.567) 1.368 6.506 ( -2.242 -2.152 -2.559) 4.026 6.562 ( 1.206 -4.127 -1.770) 4.649 6.620 ( -4.389 -2.644 -0.274) 5.132 6.692 ( 2.961 1.310 -0.528) 3.281 6.705 ( 1.196 0.123 -4.343) 4.506 6.773 ( 2.540 0.048 0.228) 2.550 6.883 ( -4.715 2.120 -0.678) 5.214 7.089 ( 0.263 -2.149 2.025) 2.964 7.121 ( -1.342 -0.074 0.330) 1.384 7.201 ( 1.398 2.513 0.521) 2.923 7.257 ( -3.151 1.196 -1.633) 3.745 7.334 ( 2.740 0.347 -1.134) 2.986 7.356 ( -1.266 0.861 2.532) 2.959 7.549 ( 0.744 2.730 1.127) 3.046 7.613 ( -2.885 2.279 -3.079) 4.796 7.686 ( 3.097 -0.539 -0.345) 3.162 7.733 ( -2.792 -0.583 2.045) 3.509 9.685 ( 1.114 1.986 0.184) 2.285 9.699 ( -0.215 1.434 -0.027) 1.450 9.901 ( 1.091 0.834 -0.463) 1.449 9.909 ( -0.334 0.786 0.566) 1.025 10.281 ( 1.031 -4.176 -0.123) 4.304 10.295 ( -0.544 -4.440 -0.015) 4.473 11.675 ( 0.125 4.197 1.163) 4.357 11.744 ( -5.885 2.521 -1.336) 6.540 12.644 ( 3.702 6.602 0.990) 7.633 12.720 ( -2.591 4.194 -1.366) 5.115 12.830 ( 0.020 1.739 1.683) 2.420 12.849 ( 0.194 0.195 -1.874) 1.894 13.055 ( 0.659 -0.888 3.881) 4.035 13.087 ( 1.328 -0.769 -3.502) 3.824 13.264 ( 4.624 -7.619 3.146) 9.451 13.341 ( -0.244 -7.156 -2.727) 7.662======================= Grid point 122 (57/60) =======================q-point: ( 0.00 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.335 ( -2.937 5.334 0.181) 6.091 1.335 ( 2.937 5.334 -0.181) 6.091 1.813 ( -2.575 9.887 -6.611) 12.170 1.813 ( 2.575 9.887 6.611) 12.170 2.084 ( -1.765 0.311 -0.853) 1.985 2.084 ( 1.765 0.311 0.853) 1.985 2.220 ( -1.229 -2.148 -2.770) 3.714 2.220 ( 1.229 -2.148 2.770) 3.714 2.592 ( -3.543 0.047 -5.461) 6.510 2.592 ( 3.543 0.047 5.461) 6.510 2.733 ( 0.031 -2.797 -2.931) 4.052 2.733 ( -0.031 -2.797 2.931) 4.052 2.851 ( -1.736 -5.339 -6.031) 8.239 2.851 ( 1.736 -5.339 6.031) 8.239 2.958 ( 2.518 0.105 -3.881) 4.627 2.958 ( -2.518 0.105 3.881) 4.627 2.998 ( -2.650 4.816 -5.345) 7.668 2.998 ( 2.650 4.816 5.345) 7.668 3.119 ( -2.662 4.790 -2.053) 5.852 3.119 ( 2.662 4.790 2.053) 5.852 3.256 ( -5.153 -5.430 -1.904) 7.724 3.256 ( 5.153 -5.430 1.904) 7.724 3.428 ( 1.036 5.654 -1.740) 6.005 3.428 ( -1.036 5.654 1.740) 6.005 3.572 ( 0.750 -4.169 -5.423) 6.882 3.572 ( -0.750 -4.169 5.423) 6.882 3.694 ( -1.483 -1.185 -0.686) 2.018 3.694 ( 1.483 -1.185 0.686) 2.018 3.816 ( -1.099 0.137 -3.717) 3.879 3.816 ( 1.099 0.137 3.717) 3.879 3.893 ( -2.950 3.103 -1.768) 4.632 3.893 ( 2.950 3.103 1.768) 4.632 3.997 ( 0.903 -3.741 -3.377) 5.120 3.997 ( -0.903 -3.741 3.377) 5.120 4.141 ( 2.700 -2.121 -2.589) 4.300 4.141 ( -2.700 -2.121 2.589) 4.300 4.243 ( 1.585 0.313 -2.900) 3.320 4.243 ( -1.585 0.313 2.900) 3.320 4.494 ( -1.060 -0.661 -2.304) 2.621 4.494 ( 1.060 -0.661 2.304) 2.621 4.602 ( -2.474 -0.397 -2.949) 3.870 4.602 ( 2.474 -0.397 2.949) 3.870 4.705 ( 2.618 -1.841 -4.869) 5.827 4.705 ( -2.618 -1.841 4.869) 5.827 4.778 ( 2.365 -6.382 -4.750) 8.300 4.778 ( -2.365 -6.382 4.750) 8.300 4.903 ( -1.720 6.067 -0.516) 6.327 4.903 ( 1.720 6.067 0.516) 6.327 5.007 ( -2.507 -1.729 -4.449) 5.392 5.007 ( 2.507 -1.729 4.449) 5.392 5.093 ( -4.184 0.451 0.159) 4.211 5.093 ( 4.184 0.451 -0.159) 4.211 5.128 ( -5.033 -3.241 -2.133) 6.354 5.128 ( 5.033 -3.241 2.133) 6.354 5.257 ( 1.194 -1.037 -2.049) 2.588 5.257 ( -1.194 -1.037 2.049) 2.588 5.430 ( 0.130 0.932 -2.039) 2.246 5.430 ( -0.130 0.932 2.039) 2.246 5.515 ( 0.606 0.611 -2.385) 2.536 5.515 ( -0.606 0.611 2.385) 2.536 5.610 ( 1.238 2.783 -1.660) 3.469 5.610 ( -1.238 2.783 1.660) 3.469 5.773 ( -2.768 5.632 -3.404) 7.140 5.773 ( 2.768 5.632 3.404) 7.140 5.865 ( -5.098 -2.736 -4.113) 7.099 5.865 ( 5.098 -2.736 4.113) 7.099 5.934 ( 2.480 -1.329 -2.258) 3.607 5.934 ( -2.480 -1.329 2.258) 3.607 6.117 ( 0.225 0.625 -0.748) 1.000 6.117 ( -0.225 0.625 0.748) 1.000 6.293 ( -4.031 -0.142 0.632) 4.082 6.293 ( 4.031 -0.142 -0.632) 4.082 6.362 ( -2.823 -1.802 -1.266) 3.581 6.362 ( 2.823 -1.802 1.266) 3.581 6.490 ( 0.378 -0.243 -1.919) 1.971 6.490 ( -0.378 -0.243 1.919) 1.971 6.768 ( 0.012 0.585 -0.906) 1.078 6.768 ( -0.012 0.585 0.906) 1.078 6.824 ( -1.391 0.828 -0.767) 1.791 6.824 ( 1.391 0.828 0.767) 1.791 6.988 ( -3.215 2.912 -1.938) 4.751 6.988 ( 3.215 2.912 1.938) 4.751 7.060 ( -1.516 -3.895 -2.328) 4.784 7.060 ( 1.516 -3.895 2.328) 4.784 7.275 ( -1.262 1.270 -2.163) 2.808 7.275 ( 1.262 1.270 2.163) 2.808 7.378 ( 0.337 -0.244 -2.561) 2.594 7.378 ( -0.337 -0.244 2.561) 2.594 7.593 ( -1.031 -0.076 -1.151) 1.547 7.593 ( 1.031 -0.076 1.151) 1.547 7.744 ( 0.052 0.995 -0.058) 0.998 7.744 ( -0.052 0.995 0.058) 0.998 9.682 ( -0.106 1.124 -0.044) 1.130 9.682 ( 0.106 1.124 0.044) 1.130 9.883 ( 0.172 0.282 -0.244) 0.411 9.883 ( -0.172 0.282 0.244) 0.411 10.210 ( -0.130 -1.917 -0.397) 1.962 10.210 ( 0.130 -1.917 0.397) 1.962 12.098 ( -1.637 2.471 -2.609) 3.949 12.098 ( 1.637 2.471 2.609) 3.949 12.644 ( 1.593 0.190 -1.181) 1.992 12.644 ( -1.593 0.190 1.181) 1.992 12.766 ( -0.037 -0.957 -0.779) 1.235 12.766 ( 0.037 -0.957 0.779) 1.235 12.966 ( -0.289 0.822 -1.317) 1.579 12.966 ( 0.289 0.822 1.317) 1.579 13.091 ( -0.652 -0.986 -0.927) 1.503 13.091 ( 0.652 -0.986 0.927) 1.503======================= Grid point 124 (58/60) =======================q-point: ( 0.14 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( 6.674 8.743 2.705) 11.327 1.501 ( 11.005 0.477 2.049) 11.204 1.794 ( 5.533 13.262 -1.917) 14.497 1.986 ( 7.006 11.807 1.968) 13.869 2.026 ( -0.418 -0.418 -3.959) 4.003 2.135 ( 1.911 6.154 4.873) 8.079 2.263 ( 2.831 -4.946 2.569) 6.251 2.297 ( 4.682 -8.303 -0.206) 9.535 2.466 ( 1.498 1.647 -1.916) 2.937 2.547 ( -2.372 -6.726 -4.972) 8.693 2.606 ( -8.136 0.038 -2.191) 8.426 2.669 ( -6.415 -2.807 0.539) 7.023 2.756 ( 0.228 -1.264 -5.388) 5.539 2.828 ( 0.008 -3.215 -3.967) 5.106 2.953 ( -0.965 2.033 4.198) 4.764 2.992 ( -0.872 -0.367 3.415) 3.544 3.018 ( -0.543 4.902 -1.487) 5.152 3.104 ( -4.369 -2.924 -3.079) 6.092 3.151 ( 5.086 0.898 5.118) 7.271 3.201 ( 6.150 -0.488 4.508) 7.641 3.251 ( 5.174 2.445 1.224) 5.853 3.363 ( 2.245 -3.170 0.057) 3.885 3.437 ( 1.212 4.260 2.090) 4.898 3.462 ( 1.406 2.993 -0.397) 3.331 3.531 ( -1.305 0.990 -1.672) 2.341 3.578 ( -2.051 -4.500 -0.232) 4.951 3.650 ( -2.440 1.857 -3.674) 4.785 3.709 ( -0.348 -3.588 -2.802) 4.566 3.738 ( -1.239 5.906 -6.139) 8.608 3.847 ( 0.380 1.124 -1.208) 1.693 3.874 ( 0.884 -3.165 0.382) 3.308 3.927 ( 7.690 -3.147 -0.808) 8.348 3.984 ( -0.173 -4.100 -3.357) 5.302 3.998 ( 1.976 -4.186 -2.232) 5.138 4.124 ( 0.449 1.245 -2.689) 2.997 4.165 ( 2.220 -1.017 -0.483) 2.489 4.278 ( 0.102 1.392 5.000) 5.191 4.312 ( 1.039 -2.925 4.252) 5.264 4.437 ( 0.537 3.315 0.715) 3.434 4.503 ( -1.345 -0.611 -0.399) 1.530 4.592 ( 2.208 -0.443 1.410) 2.657 4.658 ( -1.694 -0.586 -0.778) 1.955 4.675 ( 0.632 1.855 1.449) 2.437 4.740 ( 2.218 -1.650 -0.631) 2.835 4.775 ( -1.312 -5.050 2.225) 5.673 4.803 ( 1.312 -5.239 1.312) 5.558 4.880 ( -3.973 -0.746 4.414) 5.985 4.901 ( -1.944 -0.009 0.913) 2.148 4.958 ( -5.819 -1.136 0.244) 5.934 4.968 ( -1.314 -0.347 4.719) 4.911 5.072 ( 2.977 2.435 -0.583) 3.890 5.140 ( 2.200 -3.308 2.045) 4.468 5.176 ( 2.137 1.977 -1.178) 3.141 5.198 ( -0.098 -0.753 -0.879) 1.162 5.246 ( 1.922 -1.064 -0.206) 2.207 5.277 ( 3.034 -2.026 1.306) 3.875 5.394 ( -1.970 1.706 1.205) 2.872 5.420 ( -0.990 -0.274 1.116) 1.517 5.553 ( 0.299 2.426 5.829) 6.320 5.565 ( -0.397 5.210 -3.971) 6.563 5.582 ( 2.261 0.742 0.714) 2.484 5.638 ( 2.901 -1.762 -6.307) 7.162 5.655 ( -4.814 4.054 -0.750) 6.339 5.715 ( -5.642 -1.070 -3.048) 6.501 5.850 ( 1.614 4.445 4.903) 6.812 5.924 ( -0.999 -0.466 2.773) 2.984 5.967 ( 1.776 -1.144 -4.558) 5.024 5.997 ( 3.977 -2.335 3.004) 5.504 6.126 ( 0.370 0.998 1.586) 1.910 6.141 ( 1.109 -0.384 -1.628) 2.007 6.186 ( -3.346 -0.075 -0.965) 3.483 6.225 ( -2.806 -2.284 -2.582) 4.445 6.352 ( -1.195 2.353 0.202) 2.647 6.418 ( 1.010 -3.965 -0.102) 4.093 6.536 ( 1.974 0.835 3.034) 3.714 6.550 ( 3.603 0.004 2.577) 4.430 6.718 ( -6.269 3.416 -1.612) 7.319 6.746 ( -2.576 0.812 -3.470) 4.397 6.777 ( -2.051 -1.326 -2.351) 3.390 6.788 ( -0.006 -1.774 -0.847) 1.966 6.874 ( -6.242 2.850 -1.040) 6.940 6.940 ( -5.343 -2.445 -2.626) 6.435 7.079 ( 1.908 -0.060 0.696) 2.032 7.104 ( 0.676 -1.424 1.763) 2.365 7.231 ( 0.544 3.618 -4.302) 5.648 7.300 ( 1.506 -2.829 -5.309) 6.201 7.349 ( -1.350 1.739 2.695) 3.480 7.376 ( -2.040 -0.946 2.417) 3.301 7.600 ( 0.189 2.397 2.642) 3.572 7.641 ( 0.291 -1.723 3.506) 3.918 7.726 ( -1.182 1.379 -0.128) 1.820 7.739 ( -0.443 0.181 -1.001) 1.110 9.686 ( 0.616 1.464 0.114) 1.592 9.693 ( 0.964 0.741 0.029) 1.216 9.888 ( 0.471 0.483 0.091) 0.681 9.892 ( 0.672 0.054 0.076) 0.679 10.205 ( 0.116 -1.414 -0.373) 1.467 10.216 ( 0.221 -2.553 0.184) 2.569 11.974 ( -8.811 6.004 0.319) 10.668 12.060 ( -8.791 -2.615 2.502) 9.507 12.667 ( 3.440 3.725 -1.585) 5.312 12.714 ( 7.892 -0.167 -1.572) 8.049 12.770 ( 0.265 -1.542 -0.285) 1.590 12.772 ( 2.132 -1.291 -1.508) 2.913 12.958 ( 0.531 3.507 0.419) 3.572 13.006 ( 2.711 -1.392 -0.399) 3.074 13.092 ( 0.868 0.885 -0.373) 1.294 13.142 ( 2.796 -4.174 1.708) 5.307======================= Grid point 125 (59/60) =======================q-point: ( 0.29 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( 4.060 8.337 -0.968) 9.324 1.642 ( 3.054 -1.961 -2.127) 4.207 1.885 ( 5.458 16.942 -2.177) 17.932 1.993 ( 4.255 8.182 0.046) 9.222 2.127 ( 3.509 -5.954 1.875) 7.161 2.212 ( 1.033 -7.328 -4.272) 8.545 2.278 ( -1.012 5.718 6.733) 8.892 2.425 ( 0.766 -4.582 4.970) 6.803 2.474 ( 4.614 6.232 -2.686) 8.206 2.569 ( 7.155 4.950 3.281) 9.299 2.619 ( 7.012 0.443 4.437) 8.310 2.705 ( 4.741 -2.726 -1.550) 5.685 2.738 ( 4.787 -6.725 -1.703) 8.429 2.804 ( 3.844 -3.606 -4.860) 7.169 2.918 ( -4.757 -0.562 -2.060) 5.214 2.957 ( -4.551 -4.123 -1.288) 6.275 3.002 ( -1.766 0.571 2.517) 3.127 3.022 ( -1.689 -1.916 4.217) 4.930 3.225 ( -3.593 1.318 -6.920) 7.908 3.255 ( -1.655 -1.687 -0.944) 2.545 3.268 ( -2.427 5.528 1.201) 6.156 3.334 ( -6.766 -0.265 -1.028) 6.849 3.414 ( -2.550 2.986 2.776) 4.809 3.475 ( 0.613 -1.317 3.211) 3.524 3.523 ( -0.904 2.979 -2.992) 4.318 3.587 ( 4.226 -0.626 2.515) 4.957 3.589 ( 0.197 -1.557 -4.234) 4.515 3.660 ( 1.393 -3.740 -1.487) 4.260 3.736 ( 3.901 3.650 -1.965) 5.692 3.788 ( -1.065 -0.078 -4.958) 5.072 3.837 ( -0.581 -0.510 -3.749) 3.828 3.984 ( 4.484 -4.609 -2.309) 6.832 4.055 ( 4.542 -2.915 -0.219) 5.401 4.063 ( 7.839 -1.633 -7.403) 10.905 4.124 ( 2.960 2.716 1.738) 4.377 4.220 ( 2.520 -4.677 -1.287) 5.466 4.347 ( 0.341 -0.723 5.810) 5.865 4.352 ( 3.806 -0.148 4.539) 5.925 4.392 ( -4.414 2.222 -1.636) 5.205 4.512 ( -0.708 -7.313 -1.521) 7.503 4.600 ( -2.653 3.963 0.037) 4.769 4.697 ( -3.784 -2.433 3.138) 5.485 4.711 ( 3.337 4.544 1.500) 5.834 4.758 ( -0.839 0.338 0.223) 0.932 4.764 ( 2.714 1.946 2.373) 4.096 4.835 ( -3.063 -1.301 2.264) 4.025 4.851 ( -3.028 -2.406 0.215) 3.873 4.902 ( 4.481 -7.261 2.301) 8.837 4.942 ( -1.004 2.402 4.490) 5.190 5.010 ( -0.114 -3.190 1.145) 3.391 5.109 ( 1.332 0.474 -0.320) 1.450 5.133 ( 0.565 -0.228 0.248) 0.658 5.166 ( -2.022 2.286 -2.071) 3.688 5.234 ( 1.799 -3.704 -2.244) 4.689 5.260 ( -0.240 2.367 -0.786) 2.506 5.310 ( 0.692 -2.011 4.098) 4.617 5.424 ( 1.133 4.053 -0.445) 4.232 5.464 ( 0.715 1.030 3.157) 3.397 5.525 ( 2.028 1.940 -0.841) 2.929 5.550 ( 3.400 1.671 -2.562) 4.574 5.578 ( -1.884 -0.180 -3.062) 3.599 5.606 ( -0.191 1.038 0.825) 1.340 5.647 ( 1.585 0.918 -1.644) 2.461 5.675 ( -0.514 1.896 5.985) 6.299 5.850 ( -5.318 0.494 -1.339) 5.506 5.919 ( -3.590 -4.977 -1.221) 6.257 5.966 ( 2.661 5.145 4.793) 7.518 6.065 ( -5.727 1.968 -1.824) 6.324 6.083 ( 0.946 -4.432 5.001) 6.749 6.101 ( -5.720 -2.267 2.466) 6.628 6.180 ( 1.723 2.070 -1.027) 2.883 6.228 ( 3.020 -2.758 1.738) 4.444 6.378 ( 1.100 1.239 3.275) 3.670 6.417 ( -0.013 -2.220 -0.089) 2.222 6.537 ( -2.712 5.221 -4.747) 7.559 6.572 ( -5.538 1.633 -3.240) 6.621 6.602 ( -3.711 -1.168 -2.963) 4.890 6.630 ( 0.172 -2.458 -4.611) 5.228 6.712 ( -0.541 0.714 -4.260) 4.353 6.735 ( -2.869 -1.053 0.068) 3.057 6.811 ( -1.368 1.457 -0.682) 2.112 6.865 ( -0.763 -3.018 4.068) 5.122 7.090 ( -1.339 1.563 -0.627) 2.152 7.126 ( -0.632 -1.053 1.086) 1.639 7.218 ( 2.566 1.961 -2.460) 4.060 7.261 ( 2.226 -2.142 -5.173) 6.025 7.363 ( -1.128 0.611 2.749) 3.034 7.364 ( -1.809 0.489 1.582) 2.452 7.612 ( -1.451 2.727 0.768) 3.183 7.652 ( -1.250 -1.085 0.827) 1.850 7.710 ( -1.476 0.940 -0.027) 1.750 7.725 ( -0.797 -0.476 2.042) 2.243 9.704 ( 1.105 1.631 0.087) 1.972 9.713 ( 1.112 0.658 -0.013) 1.293 9.898 ( 0.710 0.463 -0.147) 0.861 9.905 ( 0.519 -0.199 0.242) 0.606 10.207 ( 0.495 -1.418 -0.185) 1.513 10.221 ( 0.174 -2.756 -0.008) 2.762 11.826 ( -7.210 5.016 0.556) 8.800 11.898 ( -9.285 -2.099 0.536) 9.534 12.708 ( 1.887 5.073 -0.212) 5.417 12.757 ( -0.327 -0.548 -0.854) 1.066 12.814 ( 4.163 1.053 -0.280) 4.303 12.886 ( 7.674 -4.177 2.795) 9.173 12.976 ( 0.791 5.428 -0.418) 5.501 13.050 ( 3.083 -2.601 -1.871) 4.446 13.103 ( 1.054 1.901 -0.405) 2.211 13.197 ( 1.694 -6.763 -0.106) 6.973======================= Grid point 126 (60/60) =======================q-point: ( 0.43 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.562 ( 1.839 5.915 0.010) 6.194 1.613 ( -1.821 1.137 -2.367) 3.195 1.968 ( 4.921 10.370 0.472) 11.488 2.095 ( -6.514 -1.404 -2.250) 7.034 2.110 ( 6.214 2.394 0.763) 6.703 2.176 ( -0.282 -2.076 0.641) 2.190 2.428 ( 7.191 4.189 6.893) 10.806 2.501 ( 4.833 -3.042 3.135) 6.515 2.594 ( 5.437 8.742 -4.235) 11.132 2.652 ( -4.364 6.790 0.841) 8.115 2.711 ( 0.088 3.457 -2.373) 4.195 2.754 ( 0.130 2.358 0.699) 2.463 2.786 ( 0.460 -0.218 1.442) 1.529 2.842 ( 2.409 -10.306 0.675) 10.606 2.859 ( 1.420 -2.918 -1.122) 3.434 2.889 ( 4.406 -4.351 -2.852) 6.817 3.008 ( -3.353 -4.946 2.079) 6.327 3.026 ( -1.268 -0.448 -2.921) 3.215 3.043 ( -6.212 3.542 -0.754) 7.190 3.148 ( -4.375 -4.079 -3.001) 6.692 3.229 ( 0.016 1.609 -0.733) 1.768 3.268 ( 0.058 -2.570 -1.383) 2.919 3.402 ( -2.115 0.660 2.892) 3.643 3.440 ( -2.916 -3.012 -1.123) 4.340 3.547 ( -0.308 2.049 5.303) 5.694 3.580 ( 1.433 1.744 -3.155) 3.879 3.607 ( -1.515 0.066 4.169) 4.436 3.650 ( 0.248 -2.044 -4.743) 5.171 3.730 ( 1.775 -8.251 -2.990) 8.954 3.732 ( -1.858 -8.314 1.846) 8.717 4.004 ( 8.761 6.838 0.868) 11.147 4.066 ( 3.735 -2.490 -0.313) 4.500 4.105 ( 5.065 4.160 -1.988) 6.849 4.110 ( 0.693 3.020 -0.188) 3.104 4.203 ( 2.030 2.040 -0.621) 2.944 4.240 ( 4.729 3.596 0.514) 5.963 4.313 ( -1.099 -0.476 -0.164) 1.209 4.381 ( -2.425 -5.176 -1.856) 6.010 4.509 ( 2.963 -3.091 1.675) 4.598 4.519 ( 2.563 2.220 0.904) 3.509 4.561 ( -1.966 -0.633 -0.825) 2.224 4.620 ( 1.368 2.299 5.033) 5.700 4.686 ( -5.876 0.796 -0.712) 5.972 4.741 ( 0.386 -2.484 0.007) 2.514 4.783 ( -3.780 -3.118 -1.395) 5.095 4.808 ( -1.812 -4.304 -3.260) 5.695 4.864 ( 2.113 1.083 3.547) 4.268 4.901 ( -0.588 -1.858 0.733) 2.082 4.948 ( -3.372 1.085 -0.734) 3.617 4.992 ( -7.675 -1.935 -0.160) 7.916 5.096 ( 4.261 1.424 -0.472) 4.518 5.126 ( 2.144 -0.526 -1.293) 2.558 5.154 ( 0.561 0.082 0.173) 0.593 5.189 ( -0.365 -1.903 -2.604) 3.245 5.380 ( 2.530 3.369 -0.446) 4.237 5.394 ( 1.771 0.833 3.465) 3.980 5.408 ( 1.156 0.244 0.627) 1.338 5.444 ( 1.761 -2.273 -0.758) 2.974 5.515 ( -1.852 3.826 0.007) 4.251 5.572 ( -2.125 0.611 -0.519) 2.271 5.622 ( 4.188 2.128 -2.268) 5.217 5.652 ( 3.844 4.536 2.285) 6.370 5.694 ( 0.518 -1.989 1.739) 2.692 5.740 ( 0.480 -0.950 4.519) 4.643 5.771 ( 0.861 0.326 -1.466) 1.731 5.827 ( -5.079 -2.715 1.621) 5.983 5.928 ( -4.251 2.298 -0.629) 4.873 5.969 ( -6.587 -2.208 0.499) 6.965 6.089 ( 2.090 3.310 4.085) 5.658 6.149 ( -0.631 -0.174 -0.142) 0.670 6.213 ( 2.757 1.719 3.656) 4.891 6.296 ( 1.533 -4.918 -1.746) 5.439 6.376 ( -2.884 2.920 0.907) 4.203 6.413 ( -3.425 -1.158 2.048) 4.155 6.453 ( -0.531 1.205 -2.212) 2.574 6.464 ( -0.012 -0.515 -3.300) 3.340 6.491 ( -1.938 -2.524 -1.694) 3.605 6.520 ( -3.000 -4.890 -5.532) 7.969 6.716 ( 1.239 1.299 -1.378) 2.262 6.726 ( 0.592 0.744 -1.399) 1.692 6.842 ( 2.904 4.669 3.895) 6.739 6.909 ( -0.459 -0.631 1.312) 1.527 7.044 ( -1.129 -0.702 0.105) 1.334 7.086 ( -2.084 -3.225 -2.797) 4.750 7.248 ( 2.370 1.957 -0.942) 3.214 7.270 ( 0.139 -0.196 -0.211) 0.320 7.355 ( 0.342 1.309 0.037) 1.353 7.367 ( -1.150 0.107 1.452) 1.855 7.602 ( 0.549 2.292 0.526) 2.415 7.632 ( -0.815 -0.594 -1.340) 1.677 7.690 ( -0.248 1.100 0.620) 1.286 7.715 ( -2.359 -1.176 1.186) 2.890 9.722 ( 0.682 1.423 0.075) 1.580 9.727 ( 0.326 0.969 -0.095) 1.027 9.909 ( 0.606 0.125 -0.185) 0.646 9.913 ( -0.041 -0.238 0.267) 0.360 10.216 ( 0.469 -1.830 0.015) 1.890 10.222 ( -0.076 -2.391 -0.084) 2.394 11.745 ( -1.892 2.621 0.338) 3.250 11.771 ( -4.388 0.084 -0.153) 4.391 12.730 ( 0.581 1.542 0.393) 1.694 12.742 ( -0.349 -0.220 -0.563) 0.698 12.895 ( 3.547 6.260 1.590) 7.369 12.961 ( -1.427 7.286 -1.610) 7.597 13.020 ( 2.443 -3.635 3.875) 5.848 13.063 ( 1.318 -2.204 -3.170) 4.079 13.139 ( 2.587 -3.016 0.969) 4.090 13.193 ( -1.042 -7.052 -1.642) 7.315=================== 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 3/21168 10.0 414.745 253.831 247.860 0.000 -31.805 0.000 3/21168 20.0 43.668 31.138 28.795 0.000 -4.843 0.000 3/21168 30.0 15.552 11.829 10.795 0.000 -1.360 0.000 3/21168 40.0 8.448 6.639 6.053 0.000 -0.630 0.000 3/21168 50.0 5.575 4.470 4.079 0.000 -0.378 0.000 3/21168 60.0 4.108 3.336 3.050 0.000 -0.262 0.000 3/21168 70.0 3.246 2.657 2.436 0.000 -0.199 0.000 3/21168 80.0 2.686 2.210 2.032 0.000 -0.160 0.000 3/21168 90.0 2.296 1.896 1.748 0.000 -0.133 0.000 3/21168 100.0 2.009 1.663 1.536 0.000 -0.114 0.000 3/21168 110.0 1.790 1.484 1.373 0.000 -0.100 0.000 3/21168 120.0 1.617 1.342 1.243 0.000 -0.089 0.000 3/21168 130.0 1.476 1.226 1.136 0.000 -0.080 0.000 3/21168 140.0 1.360 1.130 1.048 0.000 -0.072 0.000 3/21168 150.0 1.262 1.048 0.972 0.000 -0.066 0.000 3/21168 160.0 1.177 0.979 0.908 0.000 -0.061 0.000 3/21168 170.0 1.105 0.918 0.852 0.000 -0.056 0.000 3/21168 180.0 1.041 0.865 0.802 0.000 -0.052 0.000 3/21168 190.0 0.984 0.818 0.758 0.000 -0.049 0.000 3/21168 200.0 0.934 0.777 0.719 0.000 -0.046 0.000 3/21168 210.0 0.888 0.739 0.684 0.000 -0.043 0.000 3/21168 220.0 0.848 0.705 0.652 0.000 -0.041 0.000 3/21168 230.0 0.810 0.674 0.624 0.000 -0.039 0.000 3/21168 240.0 0.776 0.646 0.597 0.000 -0.037 0.000 3/21168 250.0 0.745 0.620 0.573 0.000 -0.035 0.000 3/21168 260.0 0.717 0.596 0.551 0.000 -0.033 0.000 3/21168 270.0 0.690 0.574 0.530 0.000 -0.032 0.000 3/21168 280.0 0.666 0.554 0.511 0.000 -0.031 0.000 3/21168 290.0 0.643 0.535 0.493 0.000 -0.029 0.000 3/21168 300.0 0.622 0.517 0.477 0.000 -0.028 0.000 3/21168 310.0 0.602 0.501 0.461 0.000 -0.027 0.000 3/21168 320.0 0.583 0.485 0.447 0.000 -0.026 0.000 3/21168 330.0 0.565 0.471 0.433 0.000 -0.025 0.000 3/21168 340.0 0.549 0.457 0.421 0.000 -0.025 0.000 3/21168 350.0 0.533 0.444 0.409 0.000 -0.024 0.000 3/21168 360.0 0.519 0.432 0.397 0.000 -0.023 0.000 3/21168 370.0 0.505 0.420 0.387 0.000 -0.022 0.000 3/21168 380.0 0.492 0.409 0.376 0.000 -0.022 0.000 3/21168 390.0 0.479 0.399 0.367 0.000 -0.021 0.000 3/21168 400.0 0.467 0.389 0.358 0.000 -0.020 0.000 3/21168 410.0 0.456 0.380 0.349 0.000 -0.020 0.000 3/21168 420.0 0.445 0.371 0.341 0.000 -0.019 0.000 3/21168 430.0 0.435 0.362 0.333 0.000 -0.019 0.000 3/21168 440.0 0.425 0.354 0.325 0.000 -0.018 0.000 3/21168 450.0 0.416 0.346 0.318 0.000 -0.018 0.000 3/21168 460.0 0.407 0.339 0.311 0.000 -0.018 0.000 3/21168 470.0 0.398 0.332 0.304 0.000 -0.017 0.000 3/21168 480.0 0.390 0.325 0.298 0.000 -0.017 0.000 3/21168 490.0 0.382 0.318 0.292 0.000 -0.016 0.000 3/21168 500.0 0.375 0.312 0.286 0.000 -0.016 0.000 3/21168 510.0 0.367 0.306 0.281 0.000 -0.016 0.000 3/21168 520.0 0.360 0.300 0.275 0.000 -0.015 0.000 3/21168 530.0 0.354 0.295 0.270 0.000 -0.015 0.000 3/21168 540.0 0.347 0.289 0.265 0.000 -0.015 0.000 3/21168 550.0 0.341 0.284 0.260 0.000 -0.014 0.000 3/21168 560.0 0.335 0.279 0.256 0.000 -0.014 0.000 3/21168 570.0 0.329 0.274 0.251 0.000 -0.014 0.000 3/21168 580.0 0.323 0.269 0.247 0.000 -0.014 0.000 3/21168 590.0 0.318 0.265 0.243 0.000 -0.013 0.000 3/21168 600.0 0.313 0.260 0.239 0.000 -0.013 0.000 3/21168 610.0 0.308 0.256 0.235 0.000 -0.013 0.000 3/21168 620.0 0.303 0.252 0.231 0.000 -0.013 0.000 3/21168 630.0 0.298 0.248 0.227 0.000 -0.013 0.000 3/21168 640.0 0.293 0.244 0.224 0.000 -0.012 0.000 3/21168 650.0 0.289 0.241 0.220 0.000 -0.012 0.000 3/21168 660.0 0.285 0.237 0.217 0.000 -0.012 0.000 3/21168 670.0 0.280 0.233 0.214 0.000 -0.012 0.000 3/21168 680.0 0.276 0.230 0.211 0.000 -0.012 0.000 3/21168 690.0 0.272 0.227 0.208 0.000 -0.011 0.000 3/21168 700.0 0.268 0.224 0.205 0.000 -0.011 0.000 3/21168 710.0 0.265 0.220 0.202 0.000 -0.011 0.000 3/21168 720.0 0.261 0.217 0.199 0.000 -0.011 0.000 3/21168 730.0 0.257 0.214 0.196 0.000 -0.011 0.000 3/21168 740.0 0.254 0.212 0.194 0.000 -0.011 0.000 3/21168 750.0 0.251 0.209 0.191 0.000 -0.010 0.000 3/21168 760.0 0.247 0.206 0.188 0.000 -0.010 0.000 3/21168 770.0 0.244 0.203 0.186 0.000 -0.010 0.000 3/21168 780.0 0.241 0.201 0.184 0.000 -0.010 0.000 3/21168 790.0 0.238 0.198 0.181 0.000 -0.010 0.000 3/21168 800.0 0.235 0.196 0.179 0.000 -0.010 0.000 3/21168 810.0 0.232 0.193 0.177 0.000 -0.010 0.000 3/21168 820.0 0.229 0.191 0.175 0.000 -0.009 0.000 3/21168 830.0 0.227 0.189 0.173 0.000 -0.009 0.000 3/21168 840.0 0.224 0.186 0.171 0.000 -0.009 0.000 3/21168 850.0 0.221 0.184 0.169 0.000 -0.009 0.000 3/21168 860.0 0.219 0.182 0.167 0.000 -0.009 0.000 3/21168 870.0 0.216 0.180 0.165 0.000 -0.009 0.000 3/21168 880.0 0.214 0.178 0.163 0.000 -0.009 0.000 3/21168 890.0 0.211 0.176 0.161 0.000 -0.009 0.000 3/21168 900.0 0.209 0.174 0.159 0.000 -0.009 0.000 3/21168 910.0 0.207 0.172 0.157 0.000 -0.009 0.000 3/21168 920.0 0.205 0.170 0.156 0.000 -0.008 0.000 3/21168 930.0 0.202 0.169 0.154 0.000 -0.008 0.000 3/21168 940.0 0.200 0.167 0.152 0.000 -0.008 0.000 3/21168 950.0 0.198 0.165 0.151 0.000 -0.008 0.000 3/21168 960.0 0.196 0.163 0.149 0.000 -0.008 0.000 3/21168 970.0 0.194 0.162 0.148 0.000 -0.008 0.000 3/21168 980.0 0.192 0.160 0.146 0.000 -0.008 0.000 3/21168 990.0 0.190 0.158 0.145 0.000 -0.008 0.000 3/21168 1000.0 0.188 0.157 0.143 0.000 -0.008 0.000 3/21168Thermal conductivity related properties were written into "kappa-m774.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 21:23:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|