----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:07:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.820070483987832 0.000000000000000 0.000000000000000 b 0.000000000000000 8.734939629999998 0.000000000000000 c -4.133327381447433 0.000000000000000 8.129830628077238 Atomic positions (fractional): *1 Ca 0.28026258910309 0.88308604028783 0.03579230968263 40.078 2 Ca 0.28026258910309 0.61691395971217 0.53579230968263 40.078 3 Ca 0.71973741089691 0.11691395971217 0.96420769031737 40.078 4 Ca 0.71973741089691 0.38308604028783 0.46420769031737 40.078 *5 B 0.58210722511824 0.73655848266216 0.87733657578791 10.811 6 B 0.41789277488176 0.23655848266216 0.62266342421209 10.811 *7 B 0.00259799355515 0.76965771281151 0.43842607650403 10.811 *8 B 0.41806636371376 0.97617598097093 0.73646867169879 10.811 *9 B 0.05668121561686 0.88030563430816 0.21747030877879 10.811 *10 B 0.82403435342695 0.55753340738632 0.75113698868526 10.811 *11 B 0.28139557670123 0.03123205237003 0.43801603346361 10.811 12 B 0.99740200644485 0.26965771281152 0.06157392349597 10.811 13 B 0.58193363628624 0.47617598097093 0.76353132830121 10.811 14 B 0.00259799355515 0.73034228718849 0.93842607650403 10.811 15 B 0.58210722511824 0.76344151733784 0.37733657578791 10.811 16 B 0.58193363628624 0.02382401902907 0.26353132830121 10.811 17 B 0.17596564657305 0.05753340738632 0.74886301131474 10.811 18 B 0.41789277488176 0.26344151733784 0.12266342421210 10.811 19 B 0.94331878438314 0.11969436569184 0.78252969122121 10.811 20 B 0.17596564657305 0.44246659261368 0.24886301131474 10.811 21 B 0.71860442329877 0.53123205237004 0.06198396653639 10.811 22 B 0.94331878438314 0.38030563430816 0.28252969122121 10.811 23 B 0.41806636371376 0.52382401902907 0.23646867169879 10.811 24 B 0.05668121561686 0.61969436569184 0.71747030877879 10.811 25 B 0.71860442329877 0.96876794762996 0.56198396653640 10.811 26 B 0.99740200644485 0.23034228718849 0.56157392349597 10.811 27 B 0.28139557670123 0.46876794762996 0.93801603346360 10.811 28 B 0.82403435342695 0.94246659261368 0.25113698868526 10.811 *29 O 0.69480440691589 0.03055265250131 0.19658363617487 15.999 *30 O 0.07228096257460 0.68771037467436 0.57958358448733 15.999 31 O 0.30519559308411 0.96944734749869 0.80341636382513 15.999 *32 O 0.47771271751078 0.36559187192682 0.25115404762672 15.999 *33 O 0.55170971795048 0.61056041903448 0.35073892277510 15.999 *34 O 0.12641741944306 0.14184643729801 0.60533196732723 15.999 *35 O 0.67084400425065 0.68380197720489 0.03417590151423 15.999 36 O 0.52228728248922 0.86559187192682 0.24884595237328 15.999 37 O 0.67084400425065 0.81619802279511 0.53417590151423 15.999 *38 O 0.82123557156163 0.49555987543579 0.21896826465727 15.999 39 O 0.55170971795048 0.88943958096552 0.85073892277510 15.999 40 O 0.32915599574935 0.18380197720489 0.46582409848577 15.999 41 O 0.92771903742540 0.18771037467436 0.92041641551267 15.999 *42 O 0.90344627015769 0.94919221149894 0.16065091346281 15.999 43 O 0.32915599574935 0.31619802279511 0.96582409848577 15.999 *44 O 0.92062274926294 0.26772898149753 0.15518853142053 15.999 45 O 0.07937725073706 0.73227101850247 0.84481146857947 15.999 46 O 0.07228096257460 0.81228962532564 0.07958358448733 15.999 47 O 0.47771271751078 0.13440812807318 0.75115404762672 15.999 48 O 0.69480440691589 0.46944734749869 0.69658363617487 15.999 49 O 0.30519559308411 0.53055265250131 0.30341636382513 15.999 *50 O 0.65594261397781 0.42414626822551 0.93561551123395 15.999 51 O 0.07937725073706 0.76772898149753 0.34481146857947 15.999 52 O 0.09655372984231 0.44919221149894 0.33934908653719 15.999 53 O 0.34405738602219 0.57585373177449 0.06438448876605 15.999 54 O 0.52228728248922 0.63440812807318 0.74884595237328 15.999 55 O 0.44829028204952 0.38943958096552 0.64926107722490 15.999 56 O 0.87358258055694 0.85815356270200 0.39466803267277 15.999 57 O 0.12641741944306 0.35815356270199 0.10533196732723 15.999 58 O 0.44829028204952 0.11056041903448 0.14926107722490 15.999 59 O 0.34405738602219 0.92414626822551 0.56438448876605 15.999 60 O 0.92062274926294 0.23227101850247 0.65518853142053 15.999 61 O 0.17876442843837 0.50444012456421 0.78103173534273 15.999 62 O 0.87358258055694 0.64184643729800 0.89466803267277 15.999 63 O 0.65594261397781 0.07585373177449 0.43561551123395 15.999 64 O 0.92771903742540 0.31228962532564 0.42041641551267 15.999 65 O 0.09655372984231 0.05080778850106 0.83934908653719 15.999 66 O 0.17876442843837 0.99555987543579 0.28103173534273 15.999 67 O 0.82123557156163 0.00444012456421 0.71896826465727 15.999 68 O 0.90344627015769 0.55080778850106 0.66065091346281 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.820070483987832 0.000000000000000 0.000000000000000 b 0.000000000000000 8.734939629999998 0.000000000000000 c -4.133327381447433 0.000000000000000 8.129830628077238 Atomic positions (fractional): *1 Ca 0.28026258910309 0.88308604028783 0.03579230968263 40.078 > 1 2 Ca 0.28026258910309 0.61691395971217 0.53579230968263 40.078 > 2 3 Ca 0.71973741089691 0.11691395971217 0.96420769031737 40.078 > 3 4 Ca 0.71973741089691 0.38308604028783 0.46420769031737 40.078 > 4 *5 B 0.58210722511824 0.73655848266216 0.87733657578791 10.811 > 5 6 B 0.41789277488176 0.23655848266216 0.62266342421209 10.811 > 6 *7 B 0.00259799355515 0.76965771281151 0.43842607650403 10.811 > 7 *8 B 0.41806636371376 0.97617598097093 0.73646867169879 10.811 > 8 *9 B 0.05668121561686 0.88030563430816 0.21747030877879 10.811 > 9 *10 B 0.82403435342695 0.55753340738632 0.75113698868526 10.811 > 10 *11 B 0.28139557670123 0.03123205237003 0.43801603346361 10.811 > 11 12 B 0.99740200644485 0.26965771281152 0.06157392349597 10.811 > 12 13 B 0.58193363628624 0.47617598097093 0.76353132830121 10.811 > 13 14 B 0.00259799355515 0.73034228718849 0.93842607650403 10.811 > 14 15 B 0.58210722511824 0.76344151733784 0.37733657578791 10.811 > 15 16 B 0.58193363628624 0.02382401902907 0.26353132830121 10.811 > 16 17 B 0.17596564657305 0.05753340738632 0.74886301131474 10.811 > 17 18 B 0.41789277488176 0.26344151733784 0.12266342421210 10.811 > 18 19 B 0.94331878438314 0.11969436569184 0.78252969122121 10.811 > 19 20 B 0.17596564657305 0.44246659261368 0.24886301131474 10.811 > 20 21 B 0.71860442329877 0.53123205237004 0.06198396653639 10.811 > 21 22 B 0.94331878438314 0.38030563430816 0.28252969122121 10.811 > 22 23 B 0.41806636371376 0.52382401902907 0.23646867169879 10.811 > 23 24 B 0.05668121561686 0.61969436569184 0.71747030877879 10.811 > 24 25 B 0.71860442329877 0.96876794762996 0.56198396653640 10.811 > 25 26 B 0.99740200644485 0.23034228718849 0.56157392349597 10.811 > 26 27 B 0.28139557670123 0.46876794762996 0.93801603346360 10.811 > 27 28 B 0.82403435342695 0.94246659261368 0.25113698868526 10.811 > 28 *29 O 0.69480440691589 0.03055265250131 0.19658363617487 15.999 > 29 *30 O 0.07228096257460 0.68771037467436 0.57958358448733 15.999 > 30 31 O 0.30519559308411 0.96944734749869 0.80341636382513 15.999 > 31 *32 O 0.47771271751078 0.36559187192682 0.25115404762672 15.999 > 32 *33 O 0.55170971795048 0.61056041903448 0.35073892277510 15.999 > 33 *34 O 0.12641741944306 0.14184643729801 0.60533196732723 15.999 > 34 *35 O 0.67084400425065 0.68380197720489 0.03417590151423 15.999 > 35 36 O 0.52228728248922 0.86559187192682 0.24884595237328 15.999 > 36 37 O 0.67084400425065 0.81619802279511 0.53417590151423 15.999 > 37 *38 O 0.82123557156163 0.49555987543579 0.21896826465727 15.999 > 38 39 O 0.55170971795048 0.88943958096552 0.85073892277510 15.999 > 39 40 O 0.32915599574935 0.18380197720489 0.46582409848577 15.999 > 40 41 O 0.92771903742540 0.18771037467436 0.92041641551267 15.999 > 41 *42 O 0.90344627015769 0.94919221149894 0.16065091346281 15.999 > 42 43 O 0.32915599574935 0.31619802279511 0.96582409848577 15.999 > 43 *44 O 0.92062274926294 0.26772898149753 0.15518853142053 15.999 > 44 45 O 0.07937725073706 0.73227101850247 0.84481146857947 15.999 > 45 46 O 0.07228096257460 0.81228962532564 0.07958358448733 15.999 > 46 47 O 0.47771271751078 0.13440812807318 0.75115404762672 15.999 > 47 48 O 0.69480440691589 0.46944734749869 0.69658363617487 15.999 > 48 49 O 0.30519559308411 0.53055265250131 0.30341636382513 15.999 > 49 *50 O 0.65594261397781 0.42414626822551 0.93561551123395 15.999 > 50 51 O 0.07937725073706 0.76772898149753 0.34481146857947 15.999 > 51 52 O 0.09655372984231 0.44919221149894 0.33934908653719 15.999 > 52 53 O 0.34405738602219 0.57585373177449 0.06438448876605 15.999 > 53 54 O 0.52228728248922 0.63440812807318 0.74884595237328 15.999 > 54 55 O 0.44829028204952 0.38943958096552 0.64926107722490 15.999 > 55 56 O 0.87358258055694 0.85815356270200 0.39466803267277 15.999 > 56 57 O 0.12641741944306 0.35815356270199 0.10533196732723 15.999 > 57 58 O 0.44829028204952 0.11056041903448 0.14926107722490 15.999 > 58 59 O 0.34405738602219 0.92414626822551 0.56438448876605 15.999 > 59 60 O 0.92062274926294 0.23227101850247 0.65518853142053 15.999 > 60 61 O 0.17876442843837 0.50444012456421 0.78103173534273 15.999 > 61 62 O 0.87358258055694 0.64184643729800 0.89466803267277 15.999 > 62 63 O 0.65594261397781 0.07585373177449 0.43561551123395 15.999 > 63 64 O 0.92771903742540 0.31228962532564 0.42041641551267 15.999 > 64 65 O 0.09655372984231 0.05080778850106 0.83934908653719 15.999 > 65 66 O 0.17876442843837 0.99555987543579 0.28103173534273 15.999 > 66 67 O 0.82123557156163 0.00444012456421 0.71896826465727 15.999 > 67 68 O 0.90344627015769 0.55080778850106 0.66065091346281 15.999 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.820070483987832 0.000000000000000 0.000000000000000 b 0.000000000000000 17.469879259999995 0.000000000000000 c -4.133327381447433 0.000000000000000 8.129830628077238 Atomic positions (fractional): *1 Ca 0.28026258910309 0.44154302014392 0.03579230968263 40.078 > 1 2 Ca 0.28026258910309 0.94154302014392 0.03579230968263 40.078 > 1 3 Ca 0.28026258910309 0.30845697985608 0.53579230968263 40.078 > 2 4 Ca 0.28026258910309 0.80845697985608 0.53579230968263 40.078 > 2 5 Ca 0.71973741089691 0.05845697985608 0.96420769031737 40.078 > 3 6 Ca 0.71973741089691 0.55845697985608 0.96420769031737 40.078 > 3 7 Ca 0.71973741089691 0.19154302014392 0.46420769031737 40.078 > 4 8 Ca 0.71973741089691 0.69154302014392 0.46420769031737 40.078 > 4 *9 B 0.58210722511824 0.36827924133108 0.87733657578791 10.811 > 5 10 B 0.58210722511824 0.86827924133108 0.87733657578791 10.811 > 5 11 B 0.41789277488176 0.11827924133108 0.62266342421209 10.811 > 6 12 B 0.41789277488176 0.61827924133108 0.62266342421209 10.811 > 6 *13 B 0.00259799355515 0.38482885640576 0.43842607650403 10.811 > 7 14 B 0.00259799355515 0.88482885640576 0.43842607650403 10.811 > 7 *15 B 0.41806636371376 0.48808799048547 0.73646867169879 10.811 > 8 16 B 0.41806636371376 0.98808799048547 0.73646867169879 10.811 > 8 *17 B 0.05668121561686 0.44015281715408 0.21747030877879 10.811 > 9 18 B 0.05668121561686 0.94015281715408 0.21747030877879 10.811 > 9 *19 B 0.82403435342695 0.27876670369316 0.75113698868526 10.811 > 10 20 B 0.82403435342695 0.77876670369316 0.75113698868526 10.811 > 10 *21 B 0.28139557670123 0.01561602618502 0.43801603346361 10.811 > 11 22 B 0.28139557670123 0.51561602618502 0.43801603346361 10.811 > 11 23 B 0.99740200644485 0.13482885640576 0.06157392349597 10.811 > 12 24 B 0.99740200644485 0.63482885640576 0.06157392349597 10.811 > 12 25 B 0.58193363628624 0.23808799048547 0.76353132830121 10.811 > 13 26 B 0.58193363628624 0.73808799048547 0.76353132830121 10.811 > 13 27 B 0.00259799355515 0.36517114359424 0.93842607650403 10.811 > 14 28 B 0.00259799355515 0.86517114359424 0.93842607650403 10.811 > 14 29 B 0.58210722511824 0.38172075866892 0.37733657578791 10.811 > 15 30 B 0.58210722511824 0.88172075866892 0.37733657578791 10.811 > 15 31 B 0.58193363628624 0.01191200951453 0.26353132830121 10.811 > 16 32 B 0.58193363628624 0.51191200951453 0.26353132830121 10.811 > 16 33 B 0.17596564657305 0.02876670369316 0.74886301131474 10.811 > 17 34 B 0.17596564657305 0.52876670369316 0.74886301131474 10.811 > 17 35 B 0.41789277488176 0.13172075866892 0.12266342421210 10.811 > 18 36 B 0.41789277488176 0.63172075866892 0.12266342421210 10.811 > 18 37 B 0.94331878438314 0.05984718284592 0.78252969122121 10.811 > 19 38 B 0.94331878438314 0.55984718284592 0.78252969122121 10.811 > 19 39 B 0.17596564657305 0.22123329630684 0.24886301131474 10.811 > 20 40 B 0.17596564657305 0.72123329630684 0.24886301131474 10.811 > 20 41 B 0.71860442329877 0.26561602618502 0.06198396653639 10.811 > 21 42 B 0.71860442329877 0.76561602618502 0.06198396653639 10.811 > 21 43 B 0.94331878438314 0.19015281715408 0.28252969122121 10.811 > 22 44 B 0.94331878438314 0.69015281715408 0.28252969122121 10.811 > 22 45 B 0.41806636371376 0.26191200951453 0.23646867169879 10.811 > 23 46 B 0.41806636371376 0.76191200951453 0.23646867169879 10.811 > 23 47 B 0.05668121561686 0.30984718284592 0.71747030877879 10.811 > 24 48 B 0.05668121561686 0.80984718284592 0.71747030877879 10.811 > 24 49 B 0.71860442329877 0.48438397381498 0.56198396653640 10.811 > 25 50 B 0.71860442329877 0.98438397381498 0.56198396653640 10.811 > 25 51 B 0.99740200644485 0.11517114359424 0.56157392349597 10.811 > 26 52 B 0.99740200644485 0.61517114359424 0.56157392349597 10.811 > 26 53 B 0.28139557670123 0.23438397381498 0.93801603346360 10.811 > 27 54 B 0.28139557670123 0.73438397381498 0.93801603346360 10.811 > 27 55 B 0.82403435342695 0.47123329630684 0.25113698868526 10.811 > 28 56 B 0.82403435342695 0.97123329630684 0.25113698868526 10.811 > 28 *57 O 0.69480440691589 0.01527632625066 0.19658363617487 15.999 > 29 58 O 0.69480440691589 0.51527632625066 0.19658363617487 15.999 > 29 *59 O 0.07228096257460 0.34385518733718 0.57958358448733 15.999 > 30 60 O 0.07228096257460 0.84385518733718 0.57958358448733 15.999 > 30 61 O 0.30519559308411 0.48472367374934 0.80341636382513 15.999 > 31 62 O 0.30519559308411 0.98472367374934 0.80341636382513 15.999 > 31 *63 O 0.47771271751078 0.18279593596341 0.25115404762672 15.999 > 32 64 O 0.47771271751078 0.68279593596341 0.25115404762672 15.999 > 32 *65 O 0.55170971795048 0.30528020951724 0.35073892277510 15.999 > 33 66 O 0.55170971795048 0.80528020951724 0.35073892277510 15.999 > 33 *67 O 0.12641741944306 0.07092321864900 0.60533196732723 15.999 > 34 68 O 0.12641741944306 0.57092321864900 0.60533196732723 15.999 > 34 *69 O 0.67084400425065 0.34190098860244 0.03417590151423 15.999 > 35 70 O 0.67084400425065 0.84190098860244 0.03417590151423 15.999 > 35 71 O 0.52228728248922 0.43279593596341 0.24884595237328 15.999 > 36 72 O 0.52228728248922 0.93279593596341 0.24884595237328 15.999 > 36 73 O 0.67084400425065 0.40809901139756 0.53417590151423 15.999 > 37 74 O 0.67084400425065 0.90809901139756 0.53417590151423 15.999 > 37 *75 O 0.82123557156163 0.24777993771789 0.21896826465727 15.999 > 38 76 O 0.82123557156163 0.74777993771789 0.21896826465727 15.999 > 38 77 O 0.55170971795048 0.44471979048276 0.85073892277510 15.999 > 39 78 O 0.55170971795048 0.94471979048276 0.85073892277510 15.999 > 39 79 O 0.32915599574935 0.09190098860244 0.46582409848577 15.999 > 40 80 O 0.32915599574935 0.59190098860244 0.46582409848577 15.999 > 40 81 O 0.92771903742540 0.09385518733718 0.92041641551267 15.999 > 41 82 O 0.92771903742540 0.59385518733718 0.92041641551267 15.999 > 41 *83 O 0.90344627015769 0.47459610574947 0.16065091346281 15.999 > 42 84 O 0.90344627015769 0.97459610574947 0.16065091346281 15.999 > 42 85 O 0.32915599574935 0.15809901139756 0.96582409848577 15.999 > 43 86 O 0.32915599574935 0.65809901139756 0.96582409848577 15.999 > 43 *87 O 0.92062274926294 0.13386449074877 0.15518853142053 15.999 > 44 88 O 0.92062274926294 0.63386449074877 0.15518853142053 15.999 > 44 89 O 0.07937725073706 0.36613550925123 0.84481146857947 15.999 > 45 90 O 0.07937725073706 0.86613550925123 0.84481146857947 15.999 > 45 91 O 0.07228096257460 0.40614481266282 0.07958358448733 15.999 > 46 92 O 0.07228096257460 0.90614481266282 0.07958358448733 15.999 > 46 93 O 0.47771271751078 0.06720406403659 0.75115404762672 15.999 > 47 94 O 0.47771271751078 0.56720406403659 0.75115404762672 15.999 > 47 95 O 0.69480440691589 0.23472367374934 0.69658363617487 15.999 > 48 96 O 0.69480440691589 0.73472367374934 0.69658363617487 15.999 > 48 97 O 0.30519559308411 0.26527632625066 0.30341636382513 15.999 > 49 98 O 0.30519559308411 0.76527632625066 0.30341636382513 15.999 > 49 *99 O 0.65594261397781 0.21207313411275 0.93561551123395 15.999 > 50 100 O 0.65594261397781 0.71207313411275 0.93561551123395 15.999 > 50 101 O 0.07937725073706 0.38386449074877 0.34481146857947 15.999 > 51 102 O 0.07937725073706 0.88386449074877 0.34481146857947 15.999 > 51 103 O 0.09655372984231 0.22459610574947 0.33934908653719 15.999 > 52 104 O 0.09655372984231 0.72459610574947 0.33934908653719 15.999 > 52 105 O 0.34405738602219 0.28792686588725 0.06438448876605 15.999 > 53 106 O 0.34405738602219 0.78792686588725 0.06438448876605 15.999 > 53 107 O 0.52228728248922 0.31720406403659 0.74884595237328 15.999 > 54 108 O 0.52228728248922 0.81720406403659 0.74884595237328 15.999 > 54 109 O 0.44829028204952 0.19471979048276 0.64926107722490 15.999 > 55 110 O 0.44829028204952 0.69471979048276 0.64926107722490 15.999 > 55 111 O 0.87358258055694 0.42907678135100 0.39466803267277 15.999 > 56 112 O 0.87358258055694 0.92907678135100 0.39466803267277 15.999 > 56 113 O 0.12641741944306 0.17907678135100 0.10533196732723 15.999 > 57 114 O 0.12641741944306 0.67907678135100 0.10533196732723 15.999 > 57 115 O 0.44829028204952 0.05528020951724 0.14926107722490 15.999 > 58 116 O 0.44829028204952 0.55528020951724 0.14926107722490 15.999 > 58 117 O 0.34405738602219 0.46207313411275 0.56438448876605 15.999 > 59 118 O 0.34405738602219 0.96207313411275 0.56438448876605 15.999 > 59 119 O 0.92062274926294 0.11613550925123 0.65518853142053 15.999 > 60 120 O 0.92062274926294 0.61613550925123 0.65518853142053 15.999 > 60 121 O 0.17876442843837 0.25222006228211 0.78103173534273 15.999 > 61 122 O 0.17876442843837 0.75222006228211 0.78103173534273 15.999 > 61 123 O 0.87358258055694 0.32092321864900 0.89466803267277 15.999 > 62 124 O 0.87358258055694 0.82092321864900 0.89466803267277 15.999 > 62 125 O 0.65594261397781 0.03792686588725 0.43561551123395 15.999 > 63 126 O 0.65594261397781 0.53792686588725 0.43561551123395 15.999 > 63 127 O 0.92771903742540 0.15614481266282 0.42041641551267 15.999 > 64 128 O 0.92771903742540 0.65614481266282 0.42041641551267 15.999 > 64 129 O 0.09655372984231 0.02540389425053 0.83934908653719 15.999 > 65 130 O 0.09655372984231 0.52540389425053 0.83934908653719 15.999 > 65 131 O 0.17876442843837 0.49777993771789 0.28103173534273 15.999 > 66 132 O 0.17876442843837 0.99777993771789 0.28103173534273 15.999 > 66 133 O 0.82123557156163 0.00222006228211 0.71896826465727 15.999 > 67 134 O 0.82123557156163 0.50222006228211 0.71896826465727 15.999 > 67 135 O 0.90344627015769 0.27540389425053 0.66065091346281 15.999 > 68 136 O 0.90344627015769 0.77540389425053 0.66065091346281 15.999 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6239717 0.0000000 0.0478502 0.0000000 2.6745000 0.0000000 0.0478498 0.0000000 2.7795304 -------------------------- Born effective charges -------------------------- 1 Ca 2.4785501 0.2631898 0.2615475 0.2839337 2.4298214 -0.0898808 0.2465853 -0.0370660 2.5412613 2 Ca 2.4785501 -0.2631898 0.2615475 -0.2839337 2.4298214 0.0898808 0.2465853 0.0370660 2.5412613 3 Ca 2.4785501 0.2631898 0.2615475 0.2839337 2.4298214 -0.0898808 0.2465853 -0.0370660 2.5412613 4 Ca 2.4785501 -0.2631898 0.2615475 -0.2839337 2.4298214 0.0898808 0.2465853 0.0370660 2.5412613 5 B 0.9515943 -0.4849246 0.3643796 -0.3388072 3.0830981 -0.2577874 0.2135325 -0.1425069 2.4325879 6 B 0.9515943 0.4849246 0.3643796 0.3388072 3.0830981 0.2577874 0.2135325 0.1425069 2.4325879 7 B 2.1918136 -0.4497001 -0.3226447 -0.5374856 1.7183016 -0.8525455 -0.0003050 -0.8979394 2.4564835 8 B 2.7118567 -0.0135989 0.1223896 -0.3242086 2.3413117 -0.3734478 0.0750494 -0.1471989 2.4794903 9 B 2.6954561 0.1061829 -0.2272186 0.0246325 2.2843032 0.2197678 -0.1474655 0.4121316 2.8720516 10 B 2.4594279 0.5838527 -0.0898868 0.3885349 1.5937047 0.6799880 -0.2440987 0.5512729 1.9557406 11 B 1.1055957 0.4550977 0.5106524 0.3629351 2.4202548 0.2123590 0.4625093 0.2539303 2.8169637 12 B 2.1918136 0.4497001 -0.3226447 0.5374856 1.7183016 0.8525455 -0.0003050 0.8979394 2.4564835 13 B 2.7118567 0.0135989 0.1223896 0.3242086 2.3413117 0.3734478 0.0750494 0.1471989 2.4794903 14 B 2.1918136 0.4497001 -0.3226447 0.5374856 1.7183016 0.8525455 -0.0003050 0.8979394 2.4564835 15 B 0.9515943 0.4849246 0.3643796 0.3388072 3.0830981 0.2577874 0.2135325 0.1425069 2.4325879 16 B 2.7118567 -0.0135989 0.1223896 -0.3242086 2.3413117 -0.3734478 0.0750494 -0.1471989 2.4794903 17 B 2.4594279 -0.5838527 -0.0898868 -0.3885349 1.5937047 -0.6799880 -0.2440987 -0.5512729 1.9557406 18 B 0.9515943 -0.4849246 0.3643796 -0.3388072 3.0830981 -0.2577874 0.2135325 -0.1425069 2.4325879 19 B 2.6954561 0.1061829 -0.2272186 0.0246325 2.2843032 0.2197678 -0.1474655 0.4121316 2.8720516 20 B 2.4594279 0.5838527 -0.0898868 0.3885349 1.5937047 0.6799880 -0.2440987 0.5512729 1.9557406 21 B 1.1055957 -0.4550977 0.5106524 -0.3629351 2.4202548 -0.2123590 0.4625093 -0.2539303 2.8169637 22 B 2.6954561 -0.1061829 -0.2272186 -0.0246325 2.2843032 -0.2197678 -0.1474655 -0.4121316 2.8720516 23 B 2.7118567 0.0135989 0.1223896 0.3242086 2.3413117 0.3734478 0.0750494 0.1471989 2.4794903 24 B 2.6954561 -0.1061829 -0.2272186 -0.0246325 2.2843032 -0.2197678 -0.1474655 -0.4121316 2.8720516 25 B 1.1055957 0.4550977 0.5106524 0.3629351 2.4202548 0.2123590 0.4625093 0.2539303 2.8169637 26 B 2.1918136 -0.4497001 -0.3226447 -0.5374856 1.7183016 -0.8525455 -0.0003050 -0.8979394 2.4564835 27 B 1.1055957 -0.4550977 0.5106524 -0.3629351 2.4202548 -0.2123590 0.4625093 -0.2539303 2.8169637 28 B 2.4594279 -0.5838527 -0.0898868 -0.3885349 1.5937047 -0.6799880 -0.2440987 -0.5512729 1.9557406 29 O -2.4706466 0.4437224 0.1526484 0.4496579 -1.2081984 0.3427505 0.2500060 0.2534599 -1.2875637 30 O -1.3862696 -0.0914291 0.5022764 0.0154973 -1.3558580 0.8651249 0.3439105 0.9563252 -2.4261613 31 O -2.4706466 0.4437224 0.1526484 0.4496579 -1.2081984 0.3427505 0.2500060 0.2534599 -1.2875637 32 O -1.1450168 0.3375752 -0.3305653 0.1648580 -2.0908287 -0.4146177 -0.2870492 -0.3870370 -1.6410212 33 O -1.1867391 -0.4872110 -0.4930064 -0.3502251 -2.5655760 -0.5823108 -0.3505582 -0.4255310 -1.3533112 34 O -1.4567595 0.5593007 -0.1749785 0.5419945 -1.2931872 0.7134656 -0.2326276 0.7075553 -1.5291678 35 O -0.7789569 0.4584268 -0.3368229 0.3802342 -1.9585733 0.5697981 -0.3145323 0.5548238 -1.7103558 36 O -1.1450168 -0.3375752 -0.3305653 -0.1648580 -2.0908287 0.4146177 -0.2870492 0.3870370 -1.6410212 37 O -0.7789569 -0.4584268 -0.3368229 -0.3802342 -1.9585733 -0.5697981 -0.3145323 -0.5548238 -1.7103558 38 O -1.3219175 0.4944475 -0.4556884 0.4209664 -1.4354981 0.5699327 -0.3783126 0.6322588 -2.2239509 39 O -1.1867391 0.4872110 -0.4930064 0.3502251 -2.5655760 0.5823108 -0.3505582 0.4255310 -1.3533112 40 O -0.7789569 -0.4584268 -0.3368229 -0.3802342 -1.9585733 -0.5697981 -0.3145323 -0.5548238 -1.7103558 41 O -1.3862696 0.0914291 0.5022764 -0.0154973 -1.3558580 -0.8651249 0.3439105 -0.9563252 -2.4261613 42 O -2.2748946 0.3780228 0.1706098 0.3314144 -1.1005206 0.3091313 0.0818605 0.2368186 -1.3874338 43 O -0.7789569 0.4584268 -0.3368229 0.3802342 -1.9585733 0.5697981 -0.3145323 0.5548238 -1.7103558 44 O -1.6576376 -0.0114808 0.4933372 0.0143826 -1.3386680 -0.5512383 0.4340834 -0.4859102 -1.7853279 45 O -1.6576376 -0.0114808 0.4933372 0.0143826 -1.3386680 -0.5512383 0.4340834 -0.4859102 -1.7853279 46 O -1.3862696 0.0914291 0.5022764 -0.0154973 -1.3558580 -0.8651249 0.3439105 -0.9563252 -2.4261613 47 O -1.1450168 -0.3375752 -0.3305653 -0.1648580 -2.0908287 0.4146177 -0.2870492 0.3870370 -1.6410212 48 O -2.4706466 -0.4437224 0.1526484 -0.4496579 -1.2081984 -0.3427505 0.2500060 -0.2534599 -1.2875637 49 O -2.4706466 -0.4437224 0.1526484 -0.4496579 -1.2081984 -0.3427505 0.2500060 -0.2534599 -1.2875637 50 O -0.9154563 0.0343987 -0.1470295 -0.0131149 -1.5238873 -0.2279530 -0.1525878 -0.1747280 -2.2102850 51 O -1.6576376 0.0114808 0.4933372 -0.0143826 -1.3386680 0.5512383 0.4340834 0.4859102 -1.7853279 52 O -2.2748946 -0.3780228 0.1706098 -0.3314144 -1.1005206 -0.3091313 0.0818605 -0.2368186 -1.3874338 53 O -0.9154563 0.0343987 -0.1470295 -0.0131149 -1.5238873 -0.2279530 -0.1525878 -0.1747280 -2.2102850 54 O -1.1450168 0.3375752 -0.3305653 0.1648580 -2.0908287 -0.4146177 -0.2870492 -0.3870370 -1.6410212 55 O -1.1867391 -0.4872110 -0.4930064 -0.3502251 -2.5655760 -0.5823108 -0.3505582 -0.4255310 -1.3533112 56 O -1.4567595 0.5593007 -0.1749785 0.5419945 -1.2931872 0.7134656 -0.2326276 0.7075553 -1.5291678 57 O -1.4567595 -0.5593007 -0.1749785 -0.5419945 -1.2931872 -0.7134656 -0.2326276 -0.7075553 -1.5291678 58 O -1.1867391 0.4872110 -0.4930064 0.3502251 -2.5655760 0.5823108 -0.3505582 0.4255310 -1.3533112 59 O -0.9154563 -0.0343987 -0.1470295 0.0131149 -1.5238873 0.2279530 -0.1525878 0.1747280 -2.2102850 60 O -1.6576376 0.0114808 0.4933372 -0.0143826 -1.3386680 0.5512383 0.4340834 0.4859102 -1.7853279 61 O -1.3219175 0.4944475 -0.4556884 0.4209664 -1.4354981 0.5699327 -0.3783126 0.6322588 -2.2239509 62 O -1.4567595 -0.5593007 -0.1749785 -0.5419945 -1.2931872 -0.7134656 -0.2326276 -0.7075553 -1.5291678 63 O -0.9154563 -0.0343987 -0.1470295 0.0131149 -1.5238873 0.2279530 -0.1525878 0.1747280 -2.2102850 64 O -1.3862696 -0.0914291 0.5022764 0.0154973 -1.3558580 0.8651249 0.3439105 0.9563252 -2.4261613 65 O -2.2748946 0.3780228 0.1706098 0.3314144 -1.1005206 0.3091313 0.0818605 0.2368186 -1.3874338 66 O -1.3219175 -0.4944475 -0.4556884 -0.4209664 -1.4354981 -0.5699327 -0.3783126 -0.6322588 -2.2239509 67 O -1.3219175 -0.4944475 -0.4556884 -0.4209664 -1.4354981 -0.5699327 -0.3783126 -0.6322588 -2.2239509 68 O -2.2748946 -0.3780228 0.1706098 -0.3314144 -1.1005206 -0.3091313 0.0818605 -0.2368186 -1.3874338 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10557 Number of blocks in projector: 10557 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2312 / 2312 (1) 294 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 108 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2312 / 2312 (1) 294 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 108 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. Tree of FC basis block matrices: - (10557, 10405), data: False |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 108), data: (2312, 142) @ (142, 108) |-- (312, 294), data: True |-- (500, 468), data: False |-- (500, 32), data: (500, 64) @ (64, 32) |-- (250, 218), data: True |-- (250, 218), data: True |-- (500, 468), data: False |-- (500, 20), data: (500, 52) @ (52, 20) |-- (250, 230), data: True |-- (250, 218), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 108), data: (2312, 142) @ (142, 108) |-- (312, 294), data: True |-- (500, 468), data: False |-- (500, 32), data: (500, 64) @ (64, 32) |-- (250, 218), data: True |-- (250, 218), data: True |-- (500, 468), data: False |-- (500, 20), data: (500, 52) @ (52, 20) |-- (250, 230), data: True |-- (250, 218), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2080 - Time: 3.575 Solver_block: 200 / 2080 - Time: 3.143 Solver_block: 300 / 2080 - Time: 3.148 Solver_block: 400 / 2080 - Time: 3.149 Solver_block: 500 / 2080 - Time: 3.142 Solver_block: 600 / 2080 - Time: 3.141 Solver_block: 700 / 2080 - Time: 3.151 Solver_block: 800 / 2080 - Time: 3.146 Solver_block: 900 / 2080 - Time: 3.151 Solver_block: 1000 / 2080 - Time: 3.153 Solver_block: 1100 / 2080 - Time: 3.154 Solver_block: 1200 / 2080 - Time: 3.139 Solver_block: 1300 / 2080 - Time: 3.148 Solver_block: 1400 / 2080 - Time: 3.143 Solver_block: 1500 / 2080 - Time: 3.147 Solver_block: 1600 / 2080 - Time: 3.151 Solver_block: 1700 / 2080 - Time: 3.150 Solver_block: 1800 / 2080 - Time: 3.149 Solver_block: 1900 / 2080 - Time: 3.156 Solver_block: 2000 / 2080 - Time: 3.144 Solver_block: 2080 / 2080 - Time: 2.603 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 67.966 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zy) -0.00000000 (zy) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10557 Number of blocks in projector: 10557 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2312 / 2312 (1) 294 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 108 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2312 / 2312 (1) 294 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 108 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. Tree of FC basis block matrices: - (10557, 10405), data: False |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 108), data: (2312, 142) @ (142, 108) |-- (312, 294), data: True |-- (500, 468), data: False |-- (500, 32), data: (500, 64) @ (64, 32) |-- (250, 218), data: True |-- (250, 218), data: True |-- (500, 468), data: False |-- (500, 20), data: (500, 52) @ (52, 20) |-- (250, 230), data: True |-- (250, 218), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 108), data: (2312, 142) @ (142, 108) |-- (312, 294), data: True |-- (500, 468), data: False |-- (500, 32), data: (500, 64) @ (64, 32) |-- (250, 218), data: True |-- (250, 218), data: True |-- (500, 468), data: False |-- (500, 20), data: (500, 52) @ (52, 20) |-- (250, 230), data: True |-- (250, 218), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zy) -0.00000000 (zy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:10:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:10:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.820070483987832 0.000000000000000 0.000000000000000 b 0.000000000000000 8.734939629999998 0.000000000000000 c -4.133327381447433 0.000000000000000 8.129830628077238 Atomic positions (fractional): 1 Ca 0.28026258910309 0.88308604028783 0.03579230968263 40.078 2 Ca 0.28026258910309 0.61691395971217 0.53579230968263 40.078 3 Ca 0.71973741089691 0.11691395971217 0.96420769031737 40.078 4 Ca 0.71973741089691 0.38308604028783 0.46420769031737 40.078 5 B 0.58210722511824 0.73655848266216 0.87733657578791 10.811 6 B 0.41789277488176 0.23655848266216 0.62266342421209 10.811 7 B 0.00259799355515 0.76965771281151 0.43842607650403 10.811 8 B 0.41806636371376 0.97617598097093 0.73646867169879 10.811 9 B 0.05668121561686 0.88030563430816 0.21747030877879 10.811 10 B 0.82403435342695 0.55753340738632 0.75113698868526 10.811 11 B 0.28139557670123 0.03123205237003 0.43801603346361 10.811 12 B 0.99740200644485 0.26965771281152 0.06157392349597 10.811 13 B 0.58193363628624 0.47617598097093 0.76353132830121 10.811 14 B 0.00259799355515 0.73034228718849 0.93842607650403 10.811 15 B 0.58210722511824 0.76344151733784 0.37733657578791 10.811 16 B 0.58193363628624 0.02382401902907 0.26353132830121 10.811 17 B 0.17596564657305 0.05753340738632 0.74886301131474 10.811 18 B 0.41789277488176 0.26344151733784 0.12266342421210 10.811 19 B 0.94331878438314 0.11969436569184 0.78252969122121 10.811 20 B 0.17596564657305 0.44246659261368 0.24886301131474 10.811 21 B 0.71860442329877 0.53123205237004 0.06198396653639 10.811 22 B 0.94331878438314 0.38030563430816 0.28252969122121 10.811 23 B 0.41806636371376 0.52382401902907 0.23646867169879 10.811 24 B 0.05668121561686 0.61969436569184 0.71747030877879 10.811 25 B 0.71860442329877 0.96876794762996 0.56198396653640 10.811 26 B 0.99740200644485 0.23034228718849 0.56157392349597 10.811 27 B 0.28139557670123 0.46876794762996 0.93801603346360 10.811 28 B 0.82403435342695 0.94246659261368 0.25113698868526 10.811 29 O 0.69480440691589 0.03055265250131 0.19658363617487 15.999 30 O 0.07228096257460 0.68771037467436 0.57958358448733 15.999 31 O 0.30519559308411 0.96944734749869 0.80341636382513 15.999 32 O 0.47771271751078 0.36559187192682 0.25115404762672 15.999 33 O 0.55170971795048 0.61056041903448 0.35073892277510 15.999 34 O 0.12641741944306 0.14184643729801 0.60533196732723 15.999 35 O 0.67084400425065 0.68380197720489 0.03417590151423 15.999 36 O 0.52228728248922 0.86559187192682 0.24884595237328 15.999 37 O 0.67084400425065 0.81619802279511 0.53417590151423 15.999 38 O 0.82123557156163 0.49555987543579 0.21896826465727 15.999 39 O 0.55170971795048 0.88943958096552 0.85073892277510 15.999 40 O 0.32915599574935 0.18380197720489 0.46582409848577 15.999 41 O 0.92771903742540 0.18771037467436 0.92041641551267 15.999 42 O 0.90344627015769 0.94919221149894 0.16065091346281 15.999 43 O 0.32915599574935 0.31619802279511 0.96582409848577 15.999 44 O 0.92062274926294 0.26772898149753 0.15518853142053 15.999 45 O 0.07937725073706 0.73227101850247 0.84481146857947 15.999 46 O 0.07228096257460 0.81228962532564 0.07958358448733 15.999 47 O 0.47771271751078 0.13440812807318 0.75115404762672 15.999 48 O 0.69480440691589 0.46944734749869 0.69658363617487 15.999 49 O 0.30519559308411 0.53055265250131 0.30341636382513 15.999 50 O 0.65594261397781 0.42414626822551 0.93561551123395 15.999 51 O 0.07937725073706 0.76772898149753 0.34481146857947 15.999 52 O 0.09655372984231 0.44919221149894 0.33934908653719 15.999 53 O 0.34405738602219 0.57585373177449 0.06438448876605 15.999 54 O 0.52228728248922 0.63440812807318 0.74884595237328 15.999 55 O 0.44829028204952 0.38943958096552 0.64926107722490 15.999 56 O 0.87358258055694 0.85815356270200 0.39466803267277 15.999 57 O 0.12641741944306 0.35815356270199 0.10533196732723 15.999 58 O 0.44829028204952 0.11056041903448 0.14926107722490 15.999 59 O 0.34405738602219 0.92414626822551 0.56438448876605 15.999 60 O 0.92062274926294 0.23227101850247 0.65518853142053 15.999 61 O 0.17876442843837 0.50444012456421 0.78103173534273 15.999 62 O 0.87358258055694 0.64184643729800 0.89466803267277 15.999 63 O 0.65594261397781 0.07585373177449 0.43561551123395 15.999 64 O 0.92771903742540 0.31228962532564 0.42041641551267 15.999 65 O 0.09655372984231 0.05080778850106 0.83934908653719 15.999 66 O 0.17876442843837 0.99555987543579 0.28103173534273 15.999 67 O 0.82123557156163 0.00444012456421 0.71896826465727 15.999 68 O 0.90344627015769 0.55080778850106 0.66065091346281 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.820070483987832 0.000000000000000 0.000000000000000 b 0.000000000000000 17.469879259999995 0.000000000000000 c -4.133327381447433 0.000000000000000 8.129830628077238 Atomic positions (fractional): 1 Ca 0.28026258910309 0.44154302014392 0.03579230968263 40.078 > 1 2 Ca 0.28026258910309 0.94154302014392 0.03579230968263 40.078 > 1 3 Ca 0.28026258910309 0.30845697985608 0.53579230968263 40.078 > 3 4 Ca 0.28026258910309 0.80845697985608 0.53579230968263 40.078 > 3 5 Ca 0.71973741089691 0.05845697985608 0.96420769031737 40.078 > 5 6 Ca 0.71973741089691 0.55845697985608 0.96420769031737 40.078 > 5 7 Ca 0.71973741089691 0.19154302014392 0.46420769031737 40.078 > 7 8 Ca 0.71973741089691 0.69154302014392 0.46420769031737 40.078 > 7 9 B 0.58210722511824 0.36827924133108 0.87733657578791 10.811 > 9 10 B 0.58210722511824 0.86827924133108 0.87733657578791 10.811 > 9 11 B 0.41789277488176 0.11827924133108 0.62266342421209 10.811 > 11 12 B 0.41789277488176 0.61827924133108 0.62266342421209 10.811 > 11 13 B 0.00259799355515 0.38482885640576 0.43842607650403 10.811 > 13 14 B 0.00259799355515 0.88482885640576 0.43842607650403 10.811 > 13 15 B 0.41806636371376 0.48808799048547 0.73646867169879 10.811 > 15 16 B 0.41806636371376 0.98808799048547 0.73646867169879 10.811 > 15 17 B 0.05668121561686 0.44015281715408 0.21747030877879 10.811 > 17 18 B 0.05668121561686 0.94015281715408 0.21747030877879 10.811 > 17 19 B 0.82403435342695 0.27876670369316 0.75113698868526 10.811 > 19 20 B 0.82403435342695 0.77876670369316 0.75113698868526 10.811 > 19 21 B 0.28139557670123 0.01561602618502 0.43801603346361 10.811 > 21 22 B 0.28139557670123 0.51561602618502 0.43801603346361 10.811 > 21 23 B 0.99740200644485 0.13482885640576 0.06157392349597 10.811 > 23 24 B 0.99740200644485 0.63482885640576 0.06157392349597 10.811 > 23 25 B 0.58193363628624 0.23808799048547 0.76353132830121 10.811 > 25 26 B 0.58193363628624 0.73808799048547 0.76353132830121 10.811 > 25 27 B 0.00259799355515 0.36517114359424 0.93842607650403 10.811 > 27 28 B 0.00259799355515 0.86517114359424 0.93842607650403 10.811 > 27 29 B 0.58210722511824 0.38172075866892 0.37733657578791 10.811 > 29 30 B 0.58210722511824 0.88172075866892 0.37733657578791 10.811 > 29 31 B 0.58193363628624 0.01191200951453 0.26353132830121 10.811 > 31 32 B 0.58193363628624 0.51191200951453 0.26353132830121 10.811 > 31 33 B 0.17596564657305 0.02876670369316 0.74886301131474 10.811 > 33 34 B 0.17596564657305 0.52876670369316 0.74886301131474 10.811 > 33 35 B 0.41789277488176 0.13172075866892 0.12266342421210 10.811 > 35 36 B 0.41789277488176 0.63172075866892 0.12266342421210 10.811 > 35 37 B 0.94331878438314 0.05984718284592 0.78252969122121 10.811 > 37 38 B 0.94331878438314 0.55984718284592 0.78252969122121 10.811 > 37 39 B 0.17596564657305 0.22123329630684 0.24886301131474 10.811 > 39 40 B 0.17596564657305 0.72123329630684 0.24886301131474 10.811 > 39 41 B 0.71860442329877 0.26561602618502 0.06198396653639 10.811 > 41 42 B 0.71860442329877 0.76561602618502 0.06198396653639 10.811 > 41 43 B 0.94331878438314 0.19015281715408 0.28252969122121 10.811 > 43 44 B 0.94331878438314 0.69015281715408 0.28252969122121 10.811 > 43 45 B 0.41806636371376 0.26191200951453 0.23646867169879 10.811 > 45 46 B 0.41806636371376 0.76191200951453 0.23646867169879 10.811 > 45 47 B 0.05668121561686 0.30984718284592 0.71747030877879 10.811 > 47 48 B 0.05668121561686 0.80984718284592 0.71747030877879 10.811 > 47 49 B 0.71860442329877 0.48438397381498 0.56198396653640 10.811 > 49 50 B 0.71860442329877 0.98438397381498 0.56198396653640 10.811 > 49 51 B 0.99740200644485 0.11517114359424 0.56157392349597 10.811 > 51 52 B 0.99740200644485 0.61517114359424 0.56157392349597 10.811 > 51 53 B 0.28139557670123 0.23438397381498 0.93801603346360 10.811 > 53 54 B 0.28139557670123 0.73438397381498 0.93801603346360 10.811 > 53 55 B 0.82403435342695 0.47123329630684 0.25113698868526 10.811 > 55 56 B 0.82403435342695 0.97123329630684 0.25113698868526 10.811 > 55 57 O 0.69480440691589 0.01527632625066 0.19658363617487 15.999 > 57 58 O 0.69480440691589 0.51527632625066 0.19658363617487 15.999 > 57 59 O 0.07228096257460 0.34385518733718 0.57958358448733 15.999 > 59 60 O 0.07228096257460 0.84385518733718 0.57958358448733 15.999 > 59 61 O 0.30519559308411 0.48472367374934 0.80341636382513 15.999 > 61 62 O 0.30519559308411 0.98472367374934 0.80341636382513 15.999 > 61 63 O 0.47771271751078 0.18279593596341 0.25115404762672 15.999 > 63 64 O 0.47771271751078 0.68279593596341 0.25115404762672 15.999 > 63 65 O 0.55170971795048 0.30528020951724 0.35073892277510 15.999 > 65 66 O 0.55170971795048 0.80528020951724 0.35073892277510 15.999 > 65 67 O 0.12641741944306 0.07092321864900 0.60533196732723 15.999 > 67 68 O 0.12641741944306 0.57092321864900 0.60533196732723 15.999 > 67 69 O 0.67084400425065 0.34190098860244 0.03417590151423 15.999 > 69 70 O 0.67084400425065 0.84190098860244 0.03417590151423 15.999 > 69 71 O 0.52228728248922 0.43279593596341 0.24884595237328 15.999 > 71 72 O 0.52228728248922 0.93279593596341 0.24884595237328 15.999 > 71 73 O 0.67084400425065 0.40809901139756 0.53417590151423 15.999 > 73 74 O 0.67084400425065 0.90809901139756 0.53417590151423 15.999 > 73 75 O 0.82123557156163 0.24777993771789 0.21896826465727 15.999 > 75 76 O 0.82123557156163 0.74777993771789 0.21896826465727 15.999 > 75 77 O 0.55170971795048 0.44471979048276 0.85073892277510 15.999 > 77 78 O 0.55170971795048 0.94471979048276 0.85073892277510 15.999 > 77 79 O 0.32915599574935 0.09190098860244 0.46582409848577 15.999 > 79 80 O 0.32915599574935 0.59190098860244 0.46582409848577 15.999 > 79 81 O 0.92771903742540 0.09385518733718 0.92041641551267 15.999 > 81 82 O 0.92771903742540 0.59385518733718 0.92041641551267 15.999 > 81 83 O 0.90344627015769 0.47459610574947 0.16065091346281 15.999 > 83 84 O 0.90344627015769 0.97459610574947 0.16065091346281 15.999 > 83 85 O 0.32915599574935 0.15809901139756 0.96582409848577 15.999 > 85 86 O 0.32915599574935 0.65809901139756 0.96582409848577 15.999 > 85 87 O 0.92062274926294 0.13386449074877 0.15518853142053 15.999 > 87 88 O 0.92062274926294 0.63386449074877 0.15518853142053 15.999 > 87 89 O 0.07937725073706 0.36613550925123 0.84481146857947 15.999 > 89 90 O 0.07937725073706 0.86613550925123 0.84481146857947 15.999 > 89 91 O 0.07228096257460 0.40614481266282 0.07958358448733 15.999 > 91 92 O 0.07228096257460 0.90614481266282 0.07958358448733 15.999 > 91 93 O 0.47771271751078 0.06720406403659 0.75115404762672 15.999 > 93 94 O 0.47771271751078 0.56720406403659 0.75115404762672 15.999 > 93 95 O 0.69480440691589 0.23472367374934 0.69658363617487 15.999 > 95 96 O 0.69480440691589 0.73472367374934 0.69658363617487 15.999 > 95 97 O 0.30519559308411 0.26527632625066 0.30341636382513 15.999 > 97 98 O 0.30519559308411 0.76527632625066 0.30341636382513 15.999 > 97 99 O 0.65594261397781 0.21207313411275 0.93561551123395 15.999 > 99 100 O 0.65594261397781 0.71207313411275 0.93561551123395 15.999 > 99 101 O 0.07937725073706 0.38386449074877 0.34481146857947 15.999 > 101 102 O 0.07937725073706 0.88386449074877 0.34481146857947 15.999 > 101 103 O 0.09655372984231 0.22459610574947 0.33934908653719 15.999 > 103 104 O 0.09655372984231 0.72459610574947 0.33934908653719 15.999 > 103 105 O 0.34405738602219 0.28792686588725 0.06438448876605 15.999 > 105 106 O 0.34405738602219 0.78792686588725 0.06438448876605 15.999 > 105 107 O 0.52228728248922 0.31720406403659 0.74884595237328 15.999 > 107 108 O 0.52228728248922 0.81720406403659 0.74884595237328 15.999 > 107 109 O 0.44829028204952 0.19471979048276 0.64926107722490 15.999 > 109 110 O 0.44829028204952 0.69471979048276 0.64926107722490 15.999 > 109 111 O 0.87358258055694 0.42907678135100 0.39466803267277 15.999 > 111 112 O 0.87358258055694 0.92907678135100 0.39466803267277 15.999 > 111 113 O 0.12641741944306 0.17907678135100 0.10533196732723 15.999 > 113 114 O 0.12641741944306 0.67907678135100 0.10533196732723 15.999 > 113 115 O 0.44829028204952 0.05528020951724 0.14926107722490 15.999 > 115 116 O 0.44829028204952 0.55528020951724 0.14926107722490 15.999 > 115 117 O 0.34405738602219 0.46207313411275 0.56438448876605 15.999 > 117 118 O 0.34405738602219 0.96207313411275 0.56438448876605 15.999 > 117 119 O 0.92062274926294 0.11613550925123 0.65518853142053 15.999 > 119 120 O 0.92062274926294 0.61613550925123 0.65518853142053 15.999 > 119 121 O 0.17876442843837 0.25222006228211 0.78103173534273 15.999 > 121 122 O 0.17876442843837 0.75222006228211 0.78103173534273 15.999 > 121 123 O 0.87358258055694 0.32092321864900 0.89466803267277 15.999 > 123 124 O 0.87358258055694 0.82092321864900 0.89466803267277 15.999 > 123 125 O 0.65594261397781 0.03792686588725 0.43561551123395 15.999 > 125 126 O 0.65594261397781 0.53792686588725 0.43561551123395 15.999 > 125 127 O 0.92771903742540 0.15614481266282 0.42041641551267 15.999 > 127 128 O 0.92771903742540 0.65614481266282 0.42041641551267 15.999 > 127 129 O 0.09655372984231 0.02540389425053 0.83934908653719 15.999 > 129 130 O 0.09655372984231 0.52540389425053 0.83934908653719 15.999 > 129 131 O 0.17876442843837 0.49777993771789 0.28103173534273 15.999 > 131 132 O 0.17876442843837 0.99777993771789 0.28103173534273 15.999 > 131 133 O 0.82123557156163 0.00222006228211 0.71896826465727 15.999 > 133 134 O 0.82123557156163 0.50222006228211 0.71896826465727 15.999 > 133 135 O 0.90344627015769 0.27540389425053 0.66065091346281 15.999 > 135 136 O 0.90344627015769 0.77540389425053 0.66065091346281 15.999 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6239717 0.0000000 0.0478502 0.0000000 2.6745000 0.0000000 0.0478498 0.0000000 2.7795304 -------------------------- Born effective charges -------------------------- 1 Ca 2.4785501 0.2631898 0.2615475 0.2839337 2.4298214 -0.0898808 0.2465853 -0.0370660 2.5412613 2 Ca 2.4785501 -0.2631898 0.2615475 -0.2839337 2.4298214 0.0898808 0.2465853 0.0370660 2.5412613 3 Ca 2.4785501 0.2631898 0.2615475 0.2839337 2.4298214 -0.0898808 0.2465853 -0.0370660 2.5412613 4 Ca 2.4785501 -0.2631898 0.2615475 -0.2839337 2.4298214 0.0898808 0.2465853 0.0370660 2.5412613 5 B 0.9515943 -0.4849246 0.3643796 -0.3388072 3.0830981 -0.2577874 0.2135325 -0.1425069 2.4325879 6 B 0.9515943 0.4849246 0.3643796 0.3388072 3.0830981 0.2577874 0.2135325 0.1425069 2.4325879 7 B 2.1918136 -0.4497001 -0.3226447 -0.5374856 1.7183016 -0.8525455 -0.0003050 -0.8979394 2.4564835 8 B 2.7118567 -0.0135989 0.1223896 -0.3242086 2.3413117 -0.3734478 0.0750494 -0.1471989 2.4794903 9 B 2.6954561 0.1061829 -0.2272186 0.0246325 2.2843032 0.2197678 -0.1474655 0.4121316 2.8720516 10 B 2.4594279 0.5838527 -0.0898868 0.3885349 1.5937047 0.6799880 -0.2440987 0.5512729 1.9557406 11 B 1.1055957 0.4550977 0.5106524 0.3629351 2.4202548 0.2123590 0.4625093 0.2539303 2.8169637 12 B 2.1918136 0.4497001 -0.3226447 0.5374856 1.7183016 0.8525455 -0.0003050 0.8979394 2.4564835 13 B 2.7118567 0.0135989 0.1223896 0.3242086 2.3413117 0.3734478 0.0750494 0.1471989 2.4794903 14 B 2.1918136 0.4497001 -0.3226447 0.5374856 1.7183016 0.8525455 -0.0003050 0.8979394 2.4564835 15 B 0.9515943 0.4849246 0.3643796 0.3388072 3.0830981 0.2577874 0.2135325 0.1425069 2.4325879 16 B 2.7118567 -0.0135989 0.1223896 -0.3242086 2.3413117 -0.3734478 0.0750494 -0.1471989 2.4794903 17 B 2.4594279 -0.5838527 -0.0898868 -0.3885349 1.5937047 -0.6799880 -0.2440987 -0.5512729 1.9557406 18 B 0.9515943 -0.4849246 0.3643796 -0.3388072 3.0830981 -0.2577874 0.2135325 -0.1425069 2.4325879 19 B 2.6954561 0.1061829 -0.2272186 0.0246325 2.2843032 0.2197678 -0.1474655 0.4121316 2.8720516 20 B 2.4594279 0.5838527 -0.0898868 0.3885349 1.5937047 0.6799880 -0.2440987 0.5512729 1.9557406 21 B 1.1055957 -0.4550977 0.5106524 -0.3629351 2.4202548 -0.2123590 0.4625093 -0.2539303 2.8169637 22 B 2.6954561 -0.1061829 -0.2272186 -0.0246325 2.2843032 -0.2197678 -0.1474655 -0.4121316 2.8720516 23 B 2.7118567 0.0135989 0.1223896 0.3242086 2.3413117 0.3734478 0.0750494 0.1471989 2.4794903 24 B 2.6954561 -0.1061829 -0.2272186 -0.0246325 2.2843032 -0.2197678 -0.1474655 -0.4121316 2.8720516 25 B 1.1055957 0.4550977 0.5106524 0.3629351 2.4202548 0.2123590 0.4625093 0.2539303 2.8169637 26 B 2.1918136 -0.4497001 -0.3226447 -0.5374856 1.7183016 -0.8525455 -0.0003050 -0.8979394 2.4564835 27 B 1.1055957 -0.4550977 0.5106524 -0.3629351 2.4202548 -0.2123590 0.4625093 -0.2539303 2.8169637 28 B 2.4594279 -0.5838527 -0.0898868 -0.3885349 1.5937047 -0.6799880 -0.2440987 -0.5512729 1.9557406 29 O -2.4706466 0.4437224 0.1526484 0.4496579 -1.2081984 0.3427505 0.2500060 0.2534599 -1.2875637 30 O -1.3862696 -0.0914291 0.5022764 0.0154973 -1.3558580 0.8651249 0.3439105 0.9563252 -2.4261613 31 O -2.4706466 0.4437224 0.1526484 0.4496579 -1.2081984 0.3427505 0.2500060 0.2534599 -1.2875637 32 O -1.1450168 0.3375752 -0.3305653 0.1648580 -2.0908287 -0.4146177 -0.2870492 -0.3870370 -1.6410212 33 O -1.1867391 -0.4872110 -0.4930064 -0.3502251 -2.5655760 -0.5823108 -0.3505582 -0.4255310 -1.3533112 34 O -1.4567595 0.5593007 -0.1749785 0.5419945 -1.2931872 0.7134656 -0.2326276 0.7075553 -1.5291678 35 O -0.7789569 0.4584268 -0.3368229 0.3802342 -1.9585733 0.5697981 -0.3145323 0.5548238 -1.7103558 36 O -1.1450168 -0.3375752 -0.3305653 -0.1648580 -2.0908287 0.4146177 -0.2870492 0.3870370 -1.6410212 37 O -0.7789569 -0.4584268 -0.3368229 -0.3802342 -1.9585733 -0.5697981 -0.3145323 -0.5548238 -1.7103558 38 O -1.3219175 0.4944475 -0.4556884 0.4209664 -1.4354981 0.5699327 -0.3783126 0.6322588 -2.2239509 39 O -1.1867391 0.4872110 -0.4930064 0.3502251 -2.5655760 0.5823108 -0.3505582 0.4255310 -1.3533112 40 O -0.7789569 -0.4584268 -0.3368229 -0.3802342 -1.9585733 -0.5697981 -0.3145323 -0.5548238 -1.7103558 41 O -1.3862696 0.0914291 0.5022764 -0.0154973 -1.3558580 -0.8651249 0.3439105 -0.9563252 -2.4261613 42 O -2.2748946 0.3780228 0.1706098 0.3314144 -1.1005206 0.3091313 0.0818605 0.2368186 -1.3874338 43 O -0.7789569 0.4584268 -0.3368229 0.3802342 -1.9585733 0.5697981 -0.3145323 0.5548238 -1.7103558 44 O -1.6576376 -0.0114808 0.4933372 0.0143826 -1.3386680 -0.5512383 0.4340834 -0.4859102 -1.7853279 45 O -1.6576376 -0.0114808 0.4933372 0.0143826 -1.3386680 -0.5512383 0.4340834 -0.4859102 -1.7853279 46 O -1.3862696 0.0914291 0.5022764 -0.0154973 -1.3558580 -0.8651249 0.3439105 -0.9563252 -2.4261613 47 O -1.1450168 -0.3375752 -0.3305653 -0.1648580 -2.0908287 0.4146177 -0.2870492 0.3870370 -1.6410212 48 O -2.4706466 -0.4437224 0.1526484 -0.4496579 -1.2081984 -0.3427505 0.2500060 -0.2534599 -1.2875637 49 O -2.4706466 -0.4437224 0.1526484 -0.4496579 -1.2081984 -0.3427505 0.2500060 -0.2534599 -1.2875637 50 O -0.9154563 0.0343987 -0.1470295 -0.0131149 -1.5238873 -0.2279530 -0.1525878 -0.1747280 -2.2102850 51 O -1.6576376 0.0114808 0.4933372 -0.0143826 -1.3386680 0.5512383 0.4340834 0.4859102 -1.7853279 52 O -2.2748946 -0.3780228 0.1706098 -0.3314144 -1.1005206 -0.3091313 0.0818605 -0.2368186 -1.3874338 53 O -0.9154563 0.0343987 -0.1470295 -0.0131149 -1.5238873 -0.2279530 -0.1525878 -0.1747280 -2.2102850 54 O -1.1450168 0.3375752 -0.3305653 0.1648580 -2.0908287 -0.4146177 -0.2870492 -0.3870370 -1.6410212 55 O -1.1867391 -0.4872110 -0.4930064 -0.3502251 -2.5655760 -0.5823108 -0.3505582 -0.4255310 -1.3533112 56 O -1.4567595 0.5593007 -0.1749785 0.5419945 -1.2931872 0.7134656 -0.2326276 0.7075553 -1.5291678 57 O -1.4567595 -0.5593007 -0.1749785 -0.5419945 -1.2931872 -0.7134656 -0.2326276 -0.7075553 -1.5291678 58 O -1.1867391 0.4872110 -0.4930064 0.3502251 -2.5655760 0.5823108 -0.3505582 0.4255310 -1.3533112 59 O -0.9154563 -0.0343987 -0.1470295 0.0131149 -1.5238873 0.2279530 -0.1525878 0.1747280 -2.2102850 60 O -1.6576376 0.0114808 0.4933372 -0.0143826 -1.3386680 0.5512383 0.4340834 0.4859102 -1.7853279 61 O -1.3219175 0.4944475 -0.4556884 0.4209664 -1.4354981 0.5699327 -0.3783126 0.6322588 -2.2239509 62 O -1.4567595 -0.5593007 -0.1749785 -0.5419945 -1.2931872 -0.7134656 -0.2326276 -0.7075553 -1.5291678 63 O -0.9154563 -0.0343987 -0.1470295 0.0131149 -1.5238873 0.2279530 -0.1525878 0.1747280 -2.2102850 64 O -1.3862696 -0.0914291 0.5022764 0.0154973 -1.3558580 0.8651249 0.3439105 0.9563252 -2.4261613 65 O -2.2748946 0.3780228 0.1706098 0.3314144 -1.1005206 0.3091313 0.0818605 0.2368186 -1.3874338 66 O -1.3219175 -0.4944475 -0.4556884 -0.4209664 -1.4354981 -0.5699327 -0.3783126 -0.6322588 -2.2239509 67 O -1.3219175 -0.4944475 -0.4556884 -0.4209664 -1.4354981 -0.5699327 -0.3783126 -0.6322588 -2.2239509 68 O -2.2748946 -0.3780228 0.1706098 -0.3314144 -1.1005206 -0.3091313 0.0818605 -0.2368186 -1.3874338 ---------------------------------------------------------------------------- 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 13, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 15, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 19, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 21, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 59, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 63, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 67, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 83, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 87, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 99, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:12:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:12:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.820070483987832 0.000000000000000 0.000000000000000 b 0.000000000000000 8.734939629999998 0.000000000000000 c -4.133327381447433 0.000000000000000 8.129830628077238 Atomic positions (fractional): 1 Ca 0.28026258910309 0.88308604028783 0.03579230968263 40.078 2 Ca 0.28026258910309 0.61691395971217 0.53579230968263 40.078 3 Ca 0.71973741089691 0.11691395971217 0.96420769031737 40.078 4 Ca 0.71973741089691 0.38308604028783 0.46420769031737 40.078 5 B 0.58210722511824 0.73655848266216 0.87733657578791 10.811 6 B 0.41789277488176 0.23655848266216 0.62266342421209 10.811 7 B 0.00259799355515 0.76965771281151 0.43842607650403 10.811 8 B 0.41806636371376 0.97617598097093 0.73646867169879 10.811 9 B 0.05668121561686 0.88030563430816 0.21747030877879 10.811 10 B 0.82403435342695 0.55753340738632 0.75113698868526 10.811 11 B 0.28139557670123 0.03123205237003 0.43801603346361 10.811 12 B 0.99740200644485 0.26965771281152 0.06157392349597 10.811 13 B 0.58193363628624 0.47617598097093 0.76353132830121 10.811 14 B 0.00259799355515 0.73034228718849 0.93842607650403 10.811 15 B 0.58210722511824 0.76344151733784 0.37733657578791 10.811 16 B 0.58193363628624 0.02382401902907 0.26353132830121 10.811 17 B 0.17596564657305 0.05753340738632 0.74886301131474 10.811 18 B 0.41789277488176 0.26344151733784 0.12266342421210 10.811 19 B 0.94331878438314 0.11969436569184 0.78252969122121 10.811 20 B 0.17596564657305 0.44246659261368 0.24886301131474 10.811 21 B 0.71860442329877 0.53123205237004 0.06198396653639 10.811 22 B 0.94331878438314 0.38030563430816 0.28252969122121 10.811 23 B 0.41806636371376 0.52382401902907 0.23646867169879 10.811 24 B 0.05668121561686 0.61969436569184 0.71747030877879 10.811 25 B 0.71860442329877 0.96876794762996 0.56198396653640 10.811 26 B 0.99740200644485 0.23034228718849 0.56157392349597 10.811 27 B 0.28139557670123 0.46876794762996 0.93801603346360 10.811 28 B 0.82403435342695 0.94246659261368 0.25113698868526 10.811 29 O 0.69480440691589 0.03055265250131 0.19658363617487 15.999 30 O 0.07228096257460 0.68771037467436 0.57958358448733 15.999 31 O 0.30519559308411 0.96944734749869 0.80341636382513 15.999 32 O 0.47771271751078 0.36559187192682 0.25115404762672 15.999 33 O 0.55170971795048 0.61056041903448 0.35073892277510 15.999 34 O 0.12641741944306 0.14184643729801 0.60533196732723 15.999 35 O 0.67084400425065 0.68380197720489 0.03417590151423 15.999 36 O 0.52228728248922 0.86559187192682 0.24884595237328 15.999 37 O 0.67084400425065 0.81619802279511 0.53417590151423 15.999 38 O 0.82123557156163 0.49555987543579 0.21896826465727 15.999 39 O 0.55170971795048 0.88943958096552 0.85073892277510 15.999 40 O 0.32915599574935 0.18380197720489 0.46582409848577 15.999 41 O 0.92771903742540 0.18771037467436 0.92041641551267 15.999 42 O 0.90344627015769 0.94919221149894 0.16065091346281 15.999 43 O 0.32915599574935 0.31619802279511 0.96582409848577 15.999 44 O 0.92062274926294 0.26772898149753 0.15518853142053 15.999 45 O 0.07937725073706 0.73227101850247 0.84481146857947 15.999 46 O 0.07228096257460 0.81228962532564 0.07958358448733 15.999 47 O 0.47771271751078 0.13440812807318 0.75115404762672 15.999 48 O 0.69480440691589 0.46944734749869 0.69658363617487 15.999 49 O 0.30519559308411 0.53055265250131 0.30341636382513 15.999 50 O 0.65594261397781 0.42414626822551 0.93561551123395 15.999 51 O 0.07937725073706 0.76772898149753 0.34481146857947 15.999 52 O 0.09655372984231 0.44919221149894 0.33934908653719 15.999 53 O 0.34405738602219 0.57585373177449 0.06438448876605 15.999 54 O 0.52228728248922 0.63440812807318 0.74884595237328 15.999 55 O 0.44829028204952 0.38943958096552 0.64926107722490 15.999 56 O 0.87358258055694 0.85815356270200 0.39466803267277 15.999 57 O 0.12641741944306 0.35815356270199 0.10533196732723 15.999 58 O 0.44829028204952 0.11056041903448 0.14926107722490 15.999 59 O 0.34405738602219 0.92414626822551 0.56438448876605 15.999 60 O 0.92062274926294 0.23227101850247 0.65518853142053 15.999 61 O 0.17876442843837 0.50444012456421 0.78103173534273 15.999 62 O 0.87358258055694 0.64184643729800 0.89466803267277 15.999 63 O 0.65594261397781 0.07585373177449 0.43561551123395 15.999 64 O 0.92771903742540 0.31228962532564 0.42041641551267 15.999 65 O 0.09655372984231 0.05080778850106 0.83934908653719 15.999 66 O 0.17876442843837 0.99555987543579 0.28103173534273 15.999 67 O 0.82123557156163 0.00444012456421 0.71896826465727 15.999 68 O 0.90344627015769 0.55080778850106 0.66065091346281 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.820070483987832 0.000000000000000 0.000000000000000 b 0.000000000000000 17.469879259999995 0.000000000000000 c -4.133327381447433 0.000000000000000 8.129830628077238 Atomic positions (fractional): 1 Ca 0.28026258910309 0.44154302014392 0.03579230968263 40.078 > 1 2 Ca 0.28026258910309 0.94154302014392 0.03579230968263 40.078 > 1 3 Ca 0.28026258910309 0.30845697985608 0.53579230968263 40.078 > 3 4 Ca 0.28026258910309 0.80845697985608 0.53579230968263 40.078 > 3 5 Ca 0.71973741089691 0.05845697985608 0.96420769031737 40.078 > 5 6 Ca 0.71973741089691 0.55845697985608 0.96420769031737 40.078 > 5 7 Ca 0.71973741089691 0.19154302014392 0.46420769031737 40.078 > 7 8 Ca 0.71973741089691 0.69154302014392 0.46420769031737 40.078 > 7 9 B 0.58210722511824 0.36827924133108 0.87733657578791 10.811 > 9 10 B 0.58210722511824 0.86827924133108 0.87733657578791 10.811 > 9 11 B 0.41789277488176 0.11827924133108 0.62266342421209 10.811 > 11 12 B 0.41789277488176 0.61827924133108 0.62266342421209 10.811 > 11 13 B 0.00259799355515 0.38482885640576 0.43842607650403 10.811 > 13 14 B 0.00259799355515 0.88482885640576 0.43842607650403 10.811 > 13 15 B 0.41806636371376 0.48808799048547 0.73646867169879 10.811 > 15 16 B 0.41806636371376 0.98808799048547 0.73646867169879 10.811 > 15 17 B 0.05668121561686 0.44015281715408 0.21747030877879 10.811 > 17 18 B 0.05668121561686 0.94015281715408 0.21747030877879 10.811 > 17 19 B 0.82403435342695 0.27876670369316 0.75113698868526 10.811 > 19 20 B 0.82403435342695 0.77876670369316 0.75113698868526 10.811 > 19 21 B 0.28139557670123 0.01561602618502 0.43801603346361 10.811 > 21 22 B 0.28139557670123 0.51561602618502 0.43801603346361 10.811 > 21 23 B 0.99740200644485 0.13482885640576 0.06157392349597 10.811 > 23 24 B 0.99740200644485 0.63482885640576 0.06157392349597 10.811 > 23 25 B 0.58193363628624 0.23808799048547 0.76353132830121 10.811 > 25 26 B 0.58193363628624 0.73808799048547 0.76353132830121 10.811 > 25 27 B 0.00259799355515 0.36517114359424 0.93842607650403 10.811 > 27 28 B 0.00259799355515 0.86517114359424 0.93842607650403 10.811 > 27 29 B 0.58210722511824 0.38172075866892 0.37733657578791 10.811 > 29 30 B 0.58210722511824 0.88172075866892 0.37733657578791 10.811 > 29 31 B 0.58193363628624 0.01191200951453 0.26353132830121 10.811 > 31 32 B 0.58193363628624 0.51191200951453 0.26353132830121 10.811 > 31 33 B 0.17596564657305 0.02876670369316 0.74886301131474 10.811 > 33 34 B 0.17596564657305 0.52876670369316 0.74886301131474 10.811 > 33 35 B 0.41789277488176 0.13172075866892 0.12266342421210 10.811 > 35 36 B 0.41789277488176 0.63172075866892 0.12266342421210 10.811 > 35 37 B 0.94331878438314 0.05984718284592 0.78252969122121 10.811 > 37 38 B 0.94331878438314 0.55984718284592 0.78252969122121 10.811 > 37 39 B 0.17596564657305 0.22123329630684 0.24886301131474 10.811 > 39 40 B 0.17596564657305 0.72123329630684 0.24886301131474 10.811 > 39 41 B 0.71860442329877 0.26561602618502 0.06198396653639 10.811 > 41 42 B 0.71860442329877 0.76561602618502 0.06198396653639 10.811 > 41 43 B 0.94331878438314 0.19015281715408 0.28252969122121 10.811 > 43 44 B 0.94331878438314 0.69015281715408 0.28252969122121 10.811 > 43 45 B 0.41806636371376 0.26191200951453 0.23646867169879 10.811 > 45 46 B 0.41806636371376 0.76191200951453 0.23646867169879 10.811 > 45 47 B 0.05668121561686 0.30984718284592 0.71747030877879 10.811 > 47 48 B 0.05668121561686 0.80984718284592 0.71747030877879 10.811 > 47 49 B 0.71860442329877 0.48438397381498 0.56198396653640 10.811 > 49 50 B 0.71860442329877 0.98438397381498 0.56198396653640 10.811 > 49 51 B 0.99740200644485 0.11517114359424 0.56157392349597 10.811 > 51 52 B 0.99740200644485 0.61517114359424 0.56157392349597 10.811 > 51 53 B 0.28139557670123 0.23438397381498 0.93801603346360 10.811 > 53 54 B 0.28139557670123 0.73438397381498 0.93801603346360 10.811 > 53 55 B 0.82403435342695 0.47123329630684 0.25113698868526 10.811 > 55 56 B 0.82403435342695 0.97123329630684 0.25113698868526 10.811 > 55 57 O 0.69480440691589 0.01527632625066 0.19658363617487 15.999 > 57 58 O 0.69480440691589 0.51527632625066 0.19658363617487 15.999 > 57 59 O 0.07228096257460 0.34385518733718 0.57958358448733 15.999 > 59 60 O 0.07228096257460 0.84385518733718 0.57958358448733 15.999 > 59 61 O 0.30519559308411 0.48472367374934 0.80341636382513 15.999 > 61 62 O 0.30519559308411 0.98472367374934 0.80341636382513 15.999 > 61 63 O 0.47771271751078 0.18279593596341 0.25115404762672 15.999 > 63 64 O 0.47771271751078 0.68279593596341 0.25115404762672 15.999 > 63 65 O 0.55170971795048 0.30528020951724 0.35073892277510 15.999 > 65 66 O 0.55170971795048 0.80528020951724 0.35073892277510 15.999 > 65 67 O 0.12641741944306 0.07092321864900 0.60533196732723 15.999 > 67 68 O 0.12641741944306 0.57092321864900 0.60533196732723 15.999 > 67 69 O 0.67084400425065 0.34190098860244 0.03417590151423 15.999 > 69 70 O 0.67084400425065 0.84190098860244 0.03417590151423 15.999 > 69 71 O 0.52228728248922 0.43279593596341 0.24884595237328 15.999 > 71 72 O 0.52228728248922 0.93279593596341 0.24884595237328 15.999 > 71 73 O 0.67084400425065 0.40809901139756 0.53417590151423 15.999 > 73 74 O 0.67084400425065 0.90809901139756 0.53417590151423 15.999 > 73 75 O 0.82123557156163 0.24777993771789 0.21896826465727 15.999 > 75 76 O 0.82123557156163 0.74777993771789 0.21896826465727 15.999 > 75 77 O 0.55170971795048 0.44471979048276 0.85073892277510 15.999 > 77 78 O 0.55170971795048 0.94471979048276 0.85073892277510 15.999 > 77 79 O 0.32915599574935 0.09190098860244 0.46582409848577 15.999 > 79 80 O 0.32915599574935 0.59190098860244 0.46582409848577 15.999 > 79 81 O 0.92771903742540 0.09385518733718 0.92041641551267 15.999 > 81 82 O 0.92771903742540 0.59385518733718 0.92041641551267 15.999 > 81 83 O 0.90344627015769 0.47459610574947 0.16065091346281 15.999 > 83 84 O 0.90344627015769 0.97459610574947 0.16065091346281 15.999 > 83 85 O 0.32915599574935 0.15809901139756 0.96582409848577 15.999 > 85 86 O 0.32915599574935 0.65809901139756 0.96582409848577 15.999 > 85 87 O 0.92062274926294 0.13386449074877 0.15518853142053 15.999 > 87 88 O 0.92062274926294 0.63386449074877 0.15518853142053 15.999 > 87 89 O 0.07937725073706 0.36613550925123 0.84481146857947 15.999 > 89 90 O 0.07937725073706 0.86613550925123 0.84481146857947 15.999 > 89 91 O 0.07228096257460 0.40614481266282 0.07958358448733 15.999 > 91 92 O 0.07228096257460 0.90614481266282 0.07958358448733 15.999 > 91 93 O 0.47771271751078 0.06720406403659 0.75115404762672 15.999 > 93 94 O 0.47771271751078 0.56720406403659 0.75115404762672 15.999 > 93 95 O 0.69480440691589 0.23472367374934 0.69658363617487 15.999 > 95 96 O 0.69480440691589 0.73472367374934 0.69658363617487 15.999 > 95 97 O 0.30519559308411 0.26527632625066 0.30341636382513 15.999 > 97 98 O 0.30519559308411 0.76527632625066 0.30341636382513 15.999 > 97 99 O 0.65594261397781 0.21207313411275 0.93561551123395 15.999 > 99 100 O 0.65594261397781 0.71207313411275 0.93561551123395 15.999 > 99 101 O 0.07937725073706 0.38386449074877 0.34481146857947 15.999 > 101 102 O 0.07937725073706 0.88386449074877 0.34481146857947 15.999 > 101 103 O 0.09655372984231 0.22459610574947 0.33934908653719 15.999 > 103 104 O 0.09655372984231 0.72459610574947 0.33934908653719 15.999 > 103 105 O 0.34405738602219 0.28792686588725 0.06438448876605 15.999 > 105 106 O 0.34405738602219 0.78792686588725 0.06438448876605 15.999 > 105 107 O 0.52228728248922 0.31720406403659 0.74884595237328 15.999 > 107 108 O 0.52228728248922 0.81720406403659 0.74884595237328 15.999 > 107 109 O 0.44829028204952 0.19471979048276 0.64926107722490 15.999 > 109 110 O 0.44829028204952 0.69471979048276 0.64926107722490 15.999 > 109 111 O 0.87358258055694 0.42907678135100 0.39466803267277 15.999 > 111 112 O 0.87358258055694 0.92907678135100 0.39466803267277 15.999 > 111 113 O 0.12641741944306 0.17907678135100 0.10533196732723 15.999 > 113 114 O 0.12641741944306 0.67907678135100 0.10533196732723 15.999 > 113 115 O 0.44829028204952 0.05528020951724 0.14926107722490 15.999 > 115 116 O 0.44829028204952 0.55528020951724 0.14926107722490 15.999 > 115 117 O 0.34405738602219 0.46207313411275 0.56438448876605 15.999 > 117 118 O 0.34405738602219 0.96207313411275 0.56438448876605 15.999 > 117 119 O 0.92062274926294 0.11613550925123 0.65518853142053 15.999 > 119 120 O 0.92062274926294 0.61613550925123 0.65518853142053 15.999 > 119 121 O 0.17876442843837 0.25222006228211 0.78103173534273 15.999 > 121 122 O 0.17876442843837 0.75222006228211 0.78103173534273 15.999 > 121 123 O 0.87358258055694 0.32092321864900 0.89466803267277 15.999 > 123 124 O 0.87358258055694 0.82092321864900 0.89466803267277 15.999 > 123 125 O 0.65594261397781 0.03792686588725 0.43561551123395 15.999 > 125 126 O 0.65594261397781 0.53792686588725 0.43561551123395 15.999 > 125 127 O 0.92771903742540 0.15614481266282 0.42041641551267 15.999 > 127 128 O 0.92771903742540 0.65614481266282 0.42041641551267 15.999 > 127 129 O 0.09655372984231 0.02540389425053 0.83934908653719 15.999 > 129 130 O 0.09655372984231 0.52540389425053 0.83934908653719 15.999 > 129 131 O 0.17876442843837 0.49777993771789 0.28103173534273 15.999 > 131 132 O 0.17876442843837 0.99777993771789 0.28103173534273 15.999 > 131 133 O 0.82123557156163 0.00222006228211 0.71896826465727 15.999 > 133 134 O 0.82123557156163 0.50222006228211 0.71896826465727 15.999 > 133 135 O 0.90344627015769 0.27540389425053 0.66065091346281 15.999 > 135 136 O 0.90344627015769 0.77540389425053 0.66065091346281 15.999 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6239717 0.0000000 0.0478502 0.0000000 2.6745000 0.0000000 0.0478498 0.0000000 2.7795304 -------------------------- Born effective charges -------------------------- 1 Ca 2.4785501 0.2631898 0.2615475 0.2839337 2.4298214 -0.0898808 0.2465853 -0.0370660 2.5412613 2 Ca 2.4785501 -0.2631898 0.2615475 -0.2839337 2.4298214 0.0898808 0.2465853 0.0370660 2.5412613 3 Ca 2.4785501 0.2631898 0.2615475 0.2839337 2.4298214 -0.0898808 0.2465853 -0.0370660 2.5412613 4 Ca 2.4785501 -0.2631898 0.2615475 -0.2839337 2.4298214 0.0898808 0.2465853 0.0370660 2.5412613 5 B 0.9515943 -0.4849246 0.3643796 -0.3388072 3.0830981 -0.2577874 0.2135325 -0.1425069 2.4325879 6 B 0.9515943 0.4849246 0.3643796 0.3388072 3.0830981 0.2577874 0.2135325 0.1425069 2.4325879 7 B 2.1918136 -0.4497001 -0.3226447 -0.5374856 1.7183016 -0.8525455 -0.0003050 -0.8979394 2.4564835 8 B 2.7118567 -0.0135989 0.1223896 -0.3242086 2.3413117 -0.3734478 0.0750494 -0.1471989 2.4794903 9 B 2.6954561 0.1061829 -0.2272186 0.0246325 2.2843032 0.2197678 -0.1474655 0.4121316 2.8720516 10 B 2.4594279 0.5838527 -0.0898868 0.3885349 1.5937047 0.6799880 -0.2440987 0.5512729 1.9557406 11 B 1.1055957 0.4550977 0.5106524 0.3629351 2.4202548 0.2123590 0.4625093 0.2539303 2.8169637 12 B 2.1918136 0.4497001 -0.3226447 0.5374856 1.7183016 0.8525455 -0.0003050 0.8979394 2.4564835 13 B 2.7118567 0.0135989 0.1223896 0.3242086 2.3413117 0.3734478 0.0750494 0.1471989 2.4794903 14 B 2.1918136 0.4497001 -0.3226447 0.5374856 1.7183016 0.8525455 -0.0003050 0.8979394 2.4564835 15 B 0.9515943 0.4849246 0.3643796 0.3388072 3.0830981 0.2577874 0.2135325 0.1425069 2.4325879 16 B 2.7118567 -0.0135989 0.1223896 -0.3242086 2.3413117 -0.3734478 0.0750494 -0.1471989 2.4794903 17 B 2.4594279 -0.5838527 -0.0898868 -0.3885349 1.5937047 -0.6799880 -0.2440987 -0.5512729 1.9557406 18 B 0.9515943 -0.4849246 0.3643796 -0.3388072 3.0830981 -0.2577874 0.2135325 -0.1425069 2.4325879 19 B 2.6954561 0.1061829 -0.2272186 0.0246325 2.2843032 0.2197678 -0.1474655 0.4121316 2.8720516 20 B 2.4594279 0.5838527 -0.0898868 0.3885349 1.5937047 0.6799880 -0.2440987 0.5512729 1.9557406 21 B 1.1055957 -0.4550977 0.5106524 -0.3629351 2.4202548 -0.2123590 0.4625093 -0.2539303 2.8169637 22 B 2.6954561 -0.1061829 -0.2272186 -0.0246325 2.2843032 -0.2197678 -0.1474655 -0.4121316 2.8720516 23 B 2.7118567 0.0135989 0.1223896 0.3242086 2.3413117 0.3734478 0.0750494 0.1471989 2.4794903 24 B 2.6954561 -0.1061829 -0.2272186 -0.0246325 2.2843032 -0.2197678 -0.1474655 -0.4121316 2.8720516 25 B 1.1055957 0.4550977 0.5106524 0.3629351 2.4202548 0.2123590 0.4625093 0.2539303 2.8169637 26 B 2.1918136 -0.4497001 -0.3226447 -0.5374856 1.7183016 -0.8525455 -0.0003050 -0.8979394 2.4564835 27 B 1.1055957 -0.4550977 0.5106524 -0.3629351 2.4202548 -0.2123590 0.4625093 -0.2539303 2.8169637 28 B 2.4594279 -0.5838527 -0.0898868 -0.3885349 1.5937047 -0.6799880 -0.2440987 -0.5512729 1.9557406 29 O -2.4706466 0.4437224 0.1526484 0.4496579 -1.2081984 0.3427505 0.2500060 0.2534599 -1.2875637 30 O -1.3862696 -0.0914291 0.5022764 0.0154973 -1.3558580 0.8651249 0.3439105 0.9563252 -2.4261613 31 O -2.4706466 0.4437224 0.1526484 0.4496579 -1.2081984 0.3427505 0.2500060 0.2534599 -1.2875637 32 O -1.1450168 0.3375752 -0.3305653 0.1648580 -2.0908287 -0.4146177 -0.2870492 -0.3870370 -1.6410212 33 O -1.1867391 -0.4872110 -0.4930064 -0.3502251 -2.5655760 -0.5823108 -0.3505582 -0.4255310 -1.3533112 34 O -1.4567595 0.5593007 -0.1749785 0.5419945 -1.2931872 0.7134656 -0.2326276 0.7075553 -1.5291678 35 O -0.7789569 0.4584268 -0.3368229 0.3802342 -1.9585733 0.5697981 -0.3145323 0.5548238 -1.7103558 36 O -1.1450168 -0.3375752 -0.3305653 -0.1648580 -2.0908287 0.4146177 -0.2870492 0.3870370 -1.6410212 37 O -0.7789569 -0.4584268 -0.3368229 -0.3802342 -1.9585733 -0.5697981 -0.3145323 -0.5548238 -1.7103558 38 O -1.3219175 0.4944475 -0.4556884 0.4209664 -1.4354981 0.5699327 -0.3783126 0.6322588 -2.2239509 39 O -1.1867391 0.4872110 -0.4930064 0.3502251 -2.5655760 0.5823108 -0.3505582 0.4255310 -1.3533112 40 O -0.7789569 -0.4584268 -0.3368229 -0.3802342 -1.9585733 -0.5697981 -0.3145323 -0.5548238 -1.7103558 41 O -1.3862696 0.0914291 0.5022764 -0.0154973 -1.3558580 -0.8651249 0.3439105 -0.9563252 -2.4261613 42 O -2.2748946 0.3780228 0.1706098 0.3314144 -1.1005206 0.3091313 0.0818605 0.2368186 -1.3874338 43 O -0.7789569 0.4584268 -0.3368229 0.3802342 -1.9585733 0.5697981 -0.3145323 0.5548238 -1.7103558 44 O -1.6576376 -0.0114808 0.4933372 0.0143826 -1.3386680 -0.5512383 0.4340834 -0.4859102 -1.7853279 45 O -1.6576376 -0.0114808 0.4933372 0.0143826 -1.3386680 -0.5512383 0.4340834 -0.4859102 -1.7853279 46 O -1.3862696 0.0914291 0.5022764 -0.0154973 -1.3558580 -0.8651249 0.3439105 -0.9563252 -2.4261613 47 O -1.1450168 -0.3375752 -0.3305653 -0.1648580 -2.0908287 0.4146177 -0.2870492 0.3870370 -1.6410212 48 O -2.4706466 -0.4437224 0.1526484 -0.4496579 -1.2081984 -0.3427505 0.2500060 -0.2534599 -1.2875637 49 O -2.4706466 -0.4437224 0.1526484 -0.4496579 -1.2081984 -0.3427505 0.2500060 -0.2534599 -1.2875637 50 O -0.9154563 0.0343987 -0.1470295 -0.0131149 -1.5238873 -0.2279530 -0.1525878 -0.1747280 -2.2102850 51 O -1.6576376 0.0114808 0.4933372 -0.0143826 -1.3386680 0.5512383 0.4340834 0.4859102 -1.7853279 52 O -2.2748946 -0.3780228 0.1706098 -0.3314144 -1.1005206 -0.3091313 0.0818605 -0.2368186 -1.3874338 53 O -0.9154563 0.0343987 -0.1470295 -0.0131149 -1.5238873 -0.2279530 -0.1525878 -0.1747280 -2.2102850 54 O -1.1450168 0.3375752 -0.3305653 0.1648580 -2.0908287 -0.4146177 -0.2870492 -0.3870370 -1.6410212 55 O -1.1867391 -0.4872110 -0.4930064 -0.3502251 -2.5655760 -0.5823108 -0.3505582 -0.4255310 -1.3533112 56 O -1.4567595 0.5593007 -0.1749785 0.5419945 -1.2931872 0.7134656 -0.2326276 0.7075553 -1.5291678 57 O -1.4567595 -0.5593007 -0.1749785 -0.5419945 -1.2931872 -0.7134656 -0.2326276 -0.7075553 -1.5291678 58 O -1.1867391 0.4872110 -0.4930064 0.3502251 -2.5655760 0.5823108 -0.3505582 0.4255310 -1.3533112 59 O -0.9154563 -0.0343987 -0.1470295 0.0131149 -1.5238873 0.2279530 -0.1525878 0.1747280 -2.2102850 60 O -1.6576376 0.0114808 0.4933372 -0.0143826 -1.3386680 0.5512383 0.4340834 0.4859102 -1.7853279 61 O -1.3219175 0.4944475 -0.4556884 0.4209664 -1.4354981 0.5699327 -0.3783126 0.6322588 -2.2239509 62 O -1.4567595 -0.5593007 -0.1749785 -0.5419945 -1.2931872 -0.7134656 -0.2326276 -0.7075553 -1.5291678 63 O -0.9154563 -0.0343987 -0.1470295 0.0131149 -1.5238873 0.2279530 -0.1525878 0.1747280 -2.2102850 64 O -1.3862696 -0.0914291 0.5022764 0.0154973 -1.3558580 0.8651249 0.3439105 0.9563252 -2.4261613 65 O -2.2748946 0.3780228 0.1706098 0.3314144 -1.1005206 0.3091313 0.0818605 0.2368186 -1.3874338 66 O -1.3219175 -0.4944475 -0.4556884 -0.4209664 -1.4354981 -0.5699327 -0.3783126 -0.6322588 -2.2239509 67 O -1.3219175 -0.4944475 -0.4556884 -0.4209664 -1.4354981 -0.5699327 -0.3783126 -0.6322588 -2.2239509 68 O -2.2748946 -0.3780228 0.1706098 -0.3314144 -1.1005206 -0.3091313 0.0818605 -0.2368186 -1.3874338 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 2.297 ( 0.000 0.000 0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.775 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.311 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.828 ( 0.000 0.000 0.000) 0.000 4.979 ( 0.000 0.000 0.000) 0.000 5.076 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.611 ( 0.000 0.000 0.000) 0.000 5.775 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 6.093 ( 0.000 0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.487 ( 0.000 0.000 0.000) 0.000 6.623 ( 0.000 0.000 0.000) 0.000 6.647 ( 0.000 0.000 0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 7.060 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.425 ( 0.000 0.000 0.000) 0.000 7.545 ( 0.000 0.000 0.000) 0.000 7.561 ( 0.000 0.000 0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000 8.164 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.403 ( 0.000 0.000 0.000) 0.000 8.460 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.763 ( 0.000 0.000 0.000) 0.000 8.952 ( 0.000 0.000 0.000) 0.000 9.115 ( 0.000 0.000 0.000) 0.000 9.144 ( 0.000 0.000 0.000) 0.000 9.338 ( 0.000 0.000 0.000) 0.000 9.413 ( 0.000 0.000 0.000) 0.000 9.447 ( 0.000 0.000 0.000) 0.000 9.452 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 10.261 ( 0.000 0.000 0.000) 0.000 10.286 ( 0.000 0.000 0.000) 0.000 10.526 ( 0.000 0.000 0.000) 0.000 11.043 ( 0.000 0.000 0.000) 0.000 11.101 ( 0.000 0.000 0.000) 0.000 11.197 ( 0.000 0.000 0.000) 0.000 11.638 ( 0.000 0.000 0.000) 0.000 11.810 ( 0.000 0.000 0.000) 0.000 12.173 ( 0.000 0.000 0.000) 0.000 12.211 ( 0.000 0.000 0.000) 0.000 12.442 ( 0.000 0.000 0.000) 0.000 12.866 ( 0.000 0.000 0.000) 0.000 12.951 ( 0.000 0.000 0.000) 0.000 13.201 ( 0.000 0.000 0.000) 0.000 13.366 ( 0.000 0.000 0.000) 0.000 13.776 ( 0.000 0.000 0.000) 0.000 13.808 ( 0.000 0.000 0.000) 0.000 13.896 ( 0.000 0.000 0.000) 0.000 13.915 ( 0.000 0.000 0.000) 0.000 14.103 ( 0.000 0.000 0.000) 0.000 14.194 ( 0.000 0.000 0.000) 0.000 14.654 ( 0.000 0.000 0.000) 0.000 14.774 ( 0.000 0.000 0.000) 0.000 14.917 ( 0.000 0.000 0.000) 0.000 15.584 ( 0.000 0.000 0.000) 0.000 15.695 ( 0.000 0.000 0.000) 0.000 15.729 ( 0.000 0.000 0.000) 0.000 16.032 ( 0.000 0.000 0.000) 0.000 16.296 ( 0.000 0.000 0.000) 0.000 16.308 ( 0.000 0.000 0.000) 0.000 16.508 ( 0.000 0.000 0.000) 0.000 16.597 ( 0.000 0.000 0.000) 0.000 16.953 ( 0.000 0.000 0.000) 0.000 16.980 ( 0.000 0.000 0.000) 0.000 17.341 ( 0.000 0.000 0.000) 0.000 17.572 ( 0.000 0.000 0.000) 0.000 17.746 ( 0.000 0.000 0.000) 0.000 18.231 ( 0.000 0.000 0.000) 0.000 18.232 ( 0.000 0.000 0.000) 0.000 18.457 ( 0.000 0.000 0.000) 0.000 18.529 ( 0.000 0.000 0.000) 0.000 18.676 ( 0.000 0.000 0.000) 0.000 18.720 ( 0.000 0.000 0.000) 0.000 18.722 ( 0.000 0.000 0.000) 0.000 18.879 ( 0.000 0.000 0.000) 0.000 18.975 ( 0.000 0.000 0.000) 0.000 19.034 ( 0.000 0.000 0.000) 0.000 19.087 ( 0.000 0.000 0.000) 0.000 19.313 ( 0.000 0.000 0.000) 0.000 19.382 ( 0.000 0.000 0.000) 0.000 19.408 ( 0.000 0.000 0.000) 0.000 19.454 ( 0.000 0.000 0.000) 0.000 19.819 ( 0.000 0.000 0.000) 0.000 20.016 ( 0.000 0.000 0.000) 0.000 20.064 ( 0.000 0.000 0.000) 0.000 20.136 ( 0.000 0.000 0.000) 0.000 20.148 ( 0.000 0.000 0.000) 0.000 20.298 ( 0.000 0.000 0.000) 0.000 20.574 ( 0.000 0.000 0.000) 0.000 20.725 ( 0.000 0.000 0.000) 0.000 20.799 ( 0.000 0.000 0.000) 0.000 21.114 ( 0.000 0.000 0.000) 0.000 22.145 ( 0.000 0.000 0.000) 0.000 22.354 ( 0.000 0.000 0.000) 0.000 22.405 ( 0.000 0.000 0.000) 0.000 22.537 ( 0.000 0.000 0.000) 0.000 22.689 ( 0.000 0.000 0.000) 0.000 22.893 ( 0.000 0.000 0.000) 0.000 22.992 ( 0.000 0.000 0.000) 0.000 23.071 ( 0.000 0.000 0.000) 0.000 23.144 ( 0.000 0.000 0.000) 0.000 23.914 ( 0.000 0.000 0.000) 0.000 24.116 ( 0.000 0.000 0.000) 0.000 24.203 ( 0.000 0.000 0.000) 0.000 24.456 ( 0.000 0.000 0.000) 0.000 24.866 ( 0.000 0.000 0.000) 0.000 25.674 ( 0.000 0.000 0.000) 0.000 25.820 ( 0.000 0.000 0.000) 0.000 25.848 ( 0.000 0.000 0.000) 0.000 26.043 ( 0.000 0.000 0.000) 0.000 26.449 ( 0.000 0.000 0.000) 0.000 26.899 ( 0.000 0.000 0.000) 0.000 27.016 ( 0.000 0.000 0.000) 0.000 27.301 ( 0.000 0.000 0.000) 0.000 27.803 ( 0.000 0.000 0.000) 0.000 27.883 ( 0.000 0.000 0.000) 0.000 28.276 ( 0.000 0.000 0.000) 0.000 28.399 ( 0.000 0.000 0.000) 0.000 28.643 ( 0.000 0.000 0.000) 0.000 29.178 ( 0.000 0.000 0.000) 0.000 29.188 ( 0.000 0.000 0.000) 0.000 29.257 ( 0.000 0.000 0.000) 0.000 29.281 ( 0.000 0.000 0.000) 0.000 29.518 ( 0.000 0.000 0.000) 0.000 29.630 ( 0.000 0.000 0.000) 0.000 29.761 ( 0.000 0.000 0.000) 0.000 30.028 ( 0.000 0.000 0.000) 0.000 30.247 ( 0.000 0.000 0.000) 0.000 31.176 ( 0.000 0.000 0.000) 0.000 31.535 ( 0.000 0.000 0.000) 0.000 31.795 ( 0.000 0.000 0.000) 0.000 31.807 ( 0.000 0.000 0.000) 0.000 31.958 ( 0.000 0.000 0.000) 0.000 32.513 ( 0.000 0.000 0.000) 0.000 32.742 ( 0.000 0.000 0.000) 0.000 32.786 ( 0.000 0.000 0.000) 0.000 32.954 ( 0.000 0.000 0.000) 0.000 33.456 ( 0.000 0.000 0.000) 0.000 33.739 ( 0.000 0.000 0.000) 0.000 34.540 ( 0.000 0.000 0.000) 0.000 34.623 ( 0.000 0.000 0.000) 0.000 37.583 ( 0.000 0.000 0.000) 0.000 37.678 ( 0.000 0.000 0.000) 0.000 37.823 ( 0.000 0.000 0.000) 0.000 38.415 ( 0.000 0.000 0.000) 0.000 38.918 ( 0.000 0.000 0.000) 0.000 38.926 ( 0.000 0.000 0.000) 0.000 39.195 ( 0.000 0.000 0.000) 0.000 39.255 ( 0.000 0.000 0.000) 0.000 39.269 ( 0.000 0.000 0.000) 0.000 39.405 ( 0.000 0.000 0.000) 0.000 39.458 ( 0.000 0.000 0.000) 0.000 39.529 ( 0.000 0.000 0.000) 0.000 39.601 ( 0.000 0.000 0.000) 0.000 39.730 ( 0.000 0.000 0.000) 0.000 39.804 ( 0.000 0.000 0.000) 0.000 39.989 ( 0.000 0.000 0.000) 0.000 40.108 ( 0.000 0.000 0.000) 0.000 40.608 ( 0.000 0.000 0.000) 0.000 41.096 ( 0.000 0.000 0.000) 0.000 41.217 ( 0.000 0.000 0.000) 0.000 41.593 ( 0.000 0.000 0.000) 0.000 41.727 ( 0.000 0.000 0.000) 0.000 41.746 ( 0.000 0.000 0.000) 0.000 42.363 ( 0.000 0.000 0.000) 0.000 42.755 ( 0.000 0.000 0.000) 0.000 42.760 ( 0.000 0.000 0.000) 0.000 43.189 ( 0.000 0.000 0.000) 0.000 43.312 ( 0.000 0.000 0.000) 0.000 43.769 ( 0.000 0.000 0.000) 0.000 43.805 ( 0.000 0.000 0.000) 0.000 44.465 ( 0.000 0.000 0.000) 0.000 44.628 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 44.418 0.000 -24.770) 50.857 0.874 ( 33.977 0.000 30.542) 45.686 1.294 ( 42.932 0.000 46.718) 63.449 2.057 ( 4.579 0.000 13.300) 14.066 2.278 ( 3.234 0.000 -11.475) 11.923 2.475 ( -2.882 0.000 -2.945) 4.120 2.479 ( -2.641 0.000 14.589) 14.826 2.745 ( -13.544 0.000 6.645) 15.086 2.762 ( 1.106 0.000 5.435) 5.546 2.798 ( -0.059 0.000 2.582) 2.582 3.000 ( -0.206 0.000 -1.250) 1.267 3.112 ( 0.197 0.000 -2.709) 2.716 3.215 ( 3.822 0.000 2.148) 4.384 3.408 ( 5.123 0.000 4.213) 6.633 3.468 ( 1.121 0.000 -1.253) 1.681 3.606 ( -4.612 0.000 11.049) 11.973 3.842 ( 5.366 0.000 -8.454) 10.013 4.000 ( -1.109 0.000 7.655) 7.735 4.066 ( 0.753 0.000 -18.841) 18.856 4.251 ( 1.698 0.000 -0.365) 1.737 4.330 ( -3.450 0.000 3.748) 5.094 4.434 ( -1.039 0.000 -4.142) 4.270 4.575 ( 1.672 0.000 0.326) 1.704 4.742 ( 1.958 0.000 4.778) 5.163 4.846 ( 5.805 0.000 1.707) 6.051 4.916 ( -1.097 0.000 -4.833) 4.956 5.075 ( 1.147 0.000 -4.543) 4.685 5.440 ( -6.085 0.000 -10.664) 12.278 5.469 ( -1.621 0.000 7.060) 7.244 5.491 ( -5.703 0.000 -3.571) 6.729 5.741 ( -7.358 0.000 -10.437) 12.770 5.804 ( 1.210 0.000 8.913) 8.994 5.925 ( -0.793 0.000 1.672) 1.851 6.013 ( -7.047 0.000 -7.706) 10.443 6.047 ( 0.183 0.000 -9.794) 9.796 6.217 ( 1.261 0.000 16.331) 16.380 6.414 ( -15.278 0.000 -7.955) 17.225 6.608 ( 6.659 0.000 3.046) 7.323 6.656 ( 0.594 0.000 -0.637) 0.872 6.744 ( 6.212 0.000 1.835) 6.477 6.997 ( -4.327 0.000 -6.959) 8.195 7.215 ( -2.622 0.000 -2.697) 3.761 7.255 ( -8.887 0.000 -11.306) 14.381 7.491 ( -0.853 0.000 -2.970) 3.091 7.559 ( 3.607 0.000 17.562) 17.929 7.630 ( 6.843 0.000 4.821) 8.371 7.631 ( -1.810 0.000 0.550) 1.892 8.162 ( -2.582 0.000 -6.772) 7.247 8.173 ( -4.356 0.000 -3.057) 5.322 8.316 ( -8.089 0.000 -1.151) 8.171 8.399 ( -0.683 0.000 7.347) 7.378 8.843 ( -8.600 0.000 4.298) 9.615 8.922 ( 4.470 0.000 8.786) 9.858 9.044 ( 10.470 0.000 0.291) 10.474 9.162 ( 3.879 0.000 -0.652) 3.933 9.224 ( 4.125 0.000 -3.900) 5.677 9.430 ( 7.759 0.000 3.650) 8.575 9.431 ( -4.587 0.000 6.067) 7.605 9.464 ( 4.530 0.000 -7.865) 9.076 9.644 ( 6.911 0.000 0.674) 6.944 10.081 ( -7.932 0.000 -7.091) 10.640 10.209 ( -1.769 0.000 -2.301) 2.903 10.305 ( -12.500 0.000 -14.802) 19.374 10.349 ( -6.621 0.000 5.916) 8.879 11.072 ( -0.943 0.000 -0.257) 0.977 11.139 ( 4.828 0.000 3.451) 5.935 11.296 ( 6.165 0.000 3.380) 7.031 11.503 ( -7.751 0.000 -8.066) 11.186 11.858 ( 1.466 0.000 4.223) 4.471 12.174 ( -4.108 0.000 0.473) 4.135 12.242 ( 6.496 0.000 0.283) 6.502 12.387 ( -4.276 0.000 -2.796) 5.109 12.926 ( 5.037 0.000 1.457) 5.244 12.931 ( -2.111 0.000 0.606) 2.197 13.189 ( -0.932 0.000 -0.616) 1.117 13.429 ( 4.109 0.000 3.002) 5.089 13.740 ( -5.425 0.000 -2.362) 5.917 13.771 ( -1.895 0.000 2.222) 2.920 13.886 ( -2.640 0.000 -0.779) 2.752 13.886 ( -1.622 0.000 -1.989) 2.567 14.176 ( 6.152 0.000 1.764) 6.400 14.276 ( 7.719 0.000 0.638) 7.745 14.753 ( -4.269 0.000 7.820) 8.909 14.814 ( 1.748 0.000 4.842) 5.148 14.955 ( 1.852 0.000 4.567) 4.928 15.507 ( -3.460 0.000 -6.508) 7.371 15.709 ( 0.132 0.000 -8.892) 8.893 15.784 ( -0.982 0.000 9.268) 9.320 16.026 ( -9.617 0.000 -22.593) 24.555 16.027 ( 1.380 0.000 2.441) 2.804 16.351 ( -7.522 0.000 -19.569) 20.965 16.353 ( 1.885 0.000 6.895) 7.148 16.764 ( 1.220 0.000 19.843) 19.881 16.869 ( -3.074 0.000 -10.498) 10.938 17.183 ( 10.950 0.000 12.881) 16.906 17.480 ( 7.315 0.000 5.965) 9.439 17.577 ( 2.882 0.000 -11.754) 12.102 17.746 ( -2.428 0.000 4.444) 5.064 18.138 ( -10.677 0.000 -5.487) 12.004 18.284 ( 3.281 0.000 4.942) 5.932 18.316 ( -3.764 0.000 0.812) 3.851 18.548 ( 1.998 0.000 -0.212) 2.009 18.685 ( -2.213 0.000 -0.763) 2.341 18.713 ( -0.162 0.000 -1.298) 1.308 18.852 ( -0.792 0.000 -0.359) 0.869 18.933 ( 3.943 0.000 0.990) 4.066 18.992 ( 13.226 0.000 5.487) 14.319 19.120 ( 3.252 0.000 0.442) 3.282 19.140 ( 8.287 0.000 2.901) 8.780 19.375 ( -1.202 0.000 1.380) 1.830 19.431 ( -2.314 0.000 -0.658) 2.406 19.473 ( 3.172 0.000 6.752) 7.460 19.486 ( -1.499 0.000 5.134) 5.349 19.678 ( -9.692 0.000 -1.989) 9.894 20.027 ( -1.886 0.000 -7.531) 7.764 20.036 ( 1.580 0.000 0.889) 1.813 20.167 ( 1.763 0.000 1.355) 2.224 20.299 ( 0.585 0.000 -0.157) 0.606 20.308 ( 11.640 0.000 3.663) 12.202 20.583 ( -1.211 0.000 1.614) 2.018 20.746 ( 1.861 0.000 0.640) 1.968 20.872 ( -0.348 0.000 -3.450) 3.467 21.052 ( -1.210 0.000 -8.546) 8.631 22.071 ( -9.566 0.000 -0.241) 9.569 22.345 ( -1.117 0.000 0.424) 1.195 22.415 ( 0.843 0.000 0.420) 0.942 22.567 ( 0.442 0.000 -2.399) 2.439 22.616 ( -4.341 0.000 -6.894) 8.147 22.905 ( 0.501 0.000 -0.860) 0.995 22.959 ( -1.480 0.000 -1.766) 2.305 23.071 ( -0.043 0.000 0.154) 0.160 23.155 ( 1.112 0.000 -0.943) 1.459 23.818 ( -1.352 0.000 -15.778) 15.836 24.049 ( -1.561 0.000 -7.870) 8.024 24.175 ( -12.661 0.000 17.933) 21.953 24.680 ( 13.347 0.000 15.465) 20.428 24.892 ( 3.002 0.000 -0.758) 3.096 25.582 ( 1.195 0.000 -12.343) 12.401 25.837 ( -1.335 0.000 0.144) 1.343 26.184 ( -1.719 0.000 -9.293) 9.451 26.295 ( 10.563 0.000 23.081) 25.383 26.472 ( 5.016 0.000 -5.059) 7.124 26.946 ( 3.898 0.000 1.839) 4.310 26.995 ( -0.780 0.000 -7.641) 7.680 27.311 ( 1.294 0.000 -0.409) 1.357 27.896 ( 0.305 0.000 2.226) 2.246 28.260 ( 1.043 0.000 -11.719) 11.765 28.371 ( -1.811 0.000 -2.710) 3.259 28.426 ( 4.972 0.000 -21.636) 22.200 28.624 ( -1.663 0.000 -0.636) 1.780 29.191 ( 0.033 0.000 0.749) 0.750 29.260 ( -0.370 0.000 2.675) 2.700 29.301 ( 2.019 0.000 0.024) 2.019 29.505 ( -11.921 0.000 26.757) 29.293 29.511 ( 1.684 0.000 -4.491) 4.796 29.692 ( -4.358 0.000 -0.442) 4.381 29.972 ( -3.369 0.000 -4.765) 5.836 30.269 ( 3.054 0.000 9.124) 9.621 30.346 ( 23.949 0.000 -31.602) 39.651 31.247 ( 6.349 0.000 1.713) 6.575 31.498 ( -9.438 0.000 10.940) 14.449 31.736 ( -1.654 0.000 -6.158) 6.376 32.019 ( 0.401 0.000 -23.776) 23.780 32.022 ( -0.639 0.000 9.549) 9.570 32.619 ( 4.724 0.000 8.915) 10.089 32.724 ( -1.775 0.000 -0.420) 1.824 32.895 ( -4.539 0.000 -3.411) 5.677 33.358 ( -0.701 0.000 -8.222) 8.251 33.573 ( 11.098 0.000 -8.507) 13.983 33.905 ( -13.126 0.000 20.801) 24.596 34.539 ( -0.423 0.000 1.439) 1.500 34.642 ( 2.081 0.000 -0.821) 2.238 37.613 ( 2.504 0.000 1.694) 3.023 37.673 ( -1.990 0.000 2.538) 3.225 37.820 ( 1.559 0.000 -3.062) 3.436 38.369 ( -3.690 0.000 -7.011) 7.923 38.920 ( -0.479 0.000 -0.272) 0.551 38.957 ( 2.013 0.000 3.118) 3.711 39.176 ( -2.253 0.000 -1.731) 2.841 39.249 ( -0.237 0.000 7.025) 7.029 39.299 ( -3.074 0.000 -5.711) 6.486 39.356 ( 7.638 0.000 -1.236) 7.737 39.575 ( 3.507 0.000 3.185) 4.738 39.655 ( 2.205 0.000 5.557) 5.978 39.699 ( 0.203 0.000 4.112) 4.117 39.878 ( 5.435 0.000 0.079) 5.436 39.976 ( -0.382 0.000 -1.643) 1.687 40.027 ( 7.747 0.000 -13.859) 15.877 40.325 ( -18.529 0.000 32.276) 37.216 40.939 ( -12.403 0.000 -3.151) 12.797 41.042 ( -18.631 0.000 2.459) 18.792 41.260 ( 4.924 0.000 -6.914) 8.488 41.674 ( -9.933 0.000 27.950) 29.663 41.761 ( 5.267 0.000 -2.435) 5.803 42.197 ( -4.240 0.000 -5.845) 7.221 42.309 ( -6.276 0.000 1.414) 6.433 42.738 ( -2.561 0.000 0.443) 2.599 42.869 ( 2.159 0.000 13.298) 13.472 43.269 ( 1.139 0.000 -5.358) 5.478 43.833 ( 6.551 0.000 0.742) 6.593 43.846 ( 1.087 0.000 5.065) 5.181 44.293 ( -18.741 0.000 37.802) 42.193 44.452 ( -0.741 0.000 -0.875) 1.147 44.663 ( 2.799 0.000 1.923) 3.396 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 39.053 0.000 -10.718) 40.497 1.635 ( 27.035 0.000 21.592) 34.600 1.928 ( 5.141 0.000 3.370) 6.147 2.135 ( -5.450 0.000 1.828) 5.748 2.215 ( 1.298 0.000 -11.171) 11.246 2.353 ( -20.175 0.000 11.300) 23.124 2.540 ( 1.321 0.000 1.978) 2.379 2.739 ( 3.656 0.000 6.240) 7.233 2.764 ( -2.184 0.000 4.272) 4.798 3.007 ( 1.066 0.000 3.205) 3.378 3.077 ( 13.828 0.000 38.544) 40.949 3.158 ( 2.803 0.000 2.597) 3.821 3.373 ( 7.925 0.000 13.413) 15.579 3.449 ( -6.827 0.000 -8.643) 11.014 3.502 ( 5.910 0.000 0.322) 5.919 3.665 ( 0.567 0.000 4.715) 4.749 3.761 ( 2.855 0.000 -16.248) 16.496 3.918 ( 5.628 0.000 6.721) 8.766 4.170 ( 0.176 0.000 11.956) 11.958 4.267 ( -7.465 0.000 -2.873) 7.998 4.286 ( 0.563 0.000 3.037) 3.089 4.347 ( 0.341 0.000 -12.985) 12.989 4.564 ( 0.733 0.000 -0.204) 0.761 4.744 ( -1.790 0.000 -4.504) 4.847 4.945 ( 0.823 0.000 -5.370) 5.433 5.007 ( 8.802 0.000 6.555) 10.975 5.074 ( 3.796 0.000 2.449) 4.517 5.270 ( -11.459 0.000 -8.392) 14.203 5.282 ( -2.455 0.000 -6.978) 7.398 5.482 ( -7.573 0.000 -12.696) 14.783 5.536 ( 1.152 0.000 6.276) 6.381 5.735 ( -19.344 0.000 -5.465) 20.102 5.858 ( -4.550 0.000 -1.722) 4.865 5.885 ( -7.302 0.000 -3.781) 8.223 5.987 ( 1.658 0.000 -6.755) 6.955 6.164 ( 1.797 0.000 6.929) 7.158 6.327 ( -3.278 0.000 10.307) 10.816 6.678 ( 2.792 0.000 -14.528) 14.793 6.735 ( 6.224 0.000 3.821) 7.303 6.827 ( -6.830 0.000 -5.973) 9.073 6.829 ( 3.569 0.000 -0.556) 3.612 7.073 ( -5.157 0.000 1.275) 5.312 7.167 ( -0.635 0.000 -3.133) 3.196 7.442 ( -5.432 0.000 -5.208) 7.526 7.553 ( -0.017 0.000 0.212) 0.213 7.742 ( 5.150 0.000 9.874) 11.136 7.909 ( 8.356 0.000 13.765) 16.103 7.987 ( -8.003 0.000 -8.349) 11.565 8.049 ( -1.471 0.000 -0.661) 1.613 8.215 ( -5.408 0.000 -0.022) 5.408 8.464 ( 1.399 0.000 4.430) 4.645 8.861 ( 2.310 0.000 6.651) 7.040 8.986 ( 0.378 0.000 1.901) 1.939 9.201 ( 0.822 0.000 3.583) 3.676 9.218 ( -0.144 0.000 -2.345) 2.349 9.266 ( 6.024 0.000 -1.197) 6.142 9.399 ( -2.129 0.000 1.921) 2.868 9.459 ( 1.532 0.000 -5.120) 5.344 9.587 ( 5.117 0.000 5.440) 7.469 9.743 ( 4.760 0.000 -2.455) 5.356 9.832 ( -5.921 0.000 -16.351) 17.390 10.016 ( -8.334 0.000 -5.311) 9.883 10.214 ( -3.821 0.000 -2.093) 4.357 10.256 ( 0.383 0.000 2.084) 2.119 11.057 ( -1.382 0.000 0.297) 1.414 11.200 ( 0.718 0.000 0.528) 0.891 11.318 ( -6.061 0.000 -5.214) 7.996 11.418 ( 4.671 0.000 1.969) 5.069 11.911 ( 1.207 0.000 2.367) 2.657 12.105 ( -4.494 0.000 1.914) 4.885 12.293 ( -2.523 0.000 -3.783) 4.547 12.347 ( 5.068 0.000 -0.673) 5.113 12.912 ( -0.882 0.000 1.626) 1.849 13.016 ( 3.421 0.000 1.050) 3.579 13.162 ( -1.243 0.000 -1.172) 1.709 13.521 ( 2.474 0.000 2.951) 3.851 13.630 ( -4.633 0.000 -1.341) 4.823 13.757 ( -0.996 0.000 0.919) 1.355 13.827 ( -2.425 0.000 -1.685) 2.953 13.876 ( 1.307 0.000 0.089) 1.310 14.305 ( 7.212 0.000 -0.107) 7.213 14.413 ( 6.684 0.000 0.246) 6.689 14.752 ( -3.248 0.000 6.921) 7.645 14.888 ( 1.072 0.000 4.867) 4.984 15.046 ( 2.564 0.000 6.651) 7.128 15.383 ( -4.904 0.000 -4.590) 6.717 15.592 ( -2.791 0.000 -9.050) 9.470 15.646 ( -8.148 0.000 -15.530) 17.537 15.892 ( -1.033 0.000 8.557) 8.619 16.106 ( 3.865 0.000 0.508) 3.898 16.108 ( -2.823 0.000 -14.667) 14.936 16.457 ( 2.391 0.000 5.915) 6.380 16.793 ( 2.867 0.000 -2.181) 3.602 16.873 ( -3.315 0.000 10.610) 11.116 17.414 ( 7.352 0.000 0.656) 7.381 17.506 ( -6.850 0.000 -6.678) 9.567 17.555 ( 2.224 0.000 -0.998) 2.438 17.741 ( -1.528 0.000 2.353) 2.806 17.971 ( -1.743 0.000 0.123) 1.748 18.326 ( 1.299 0.000 3.222) 3.474 18.388 ( 2.001 0.000 5.206) 5.577 18.591 ( 2.041 0.000 0.593) 2.125 18.675 ( -3.039 0.000 -2.356) 3.845 18.688 ( 4.758 0.000 0.637) 4.800 18.785 ( -2.912 0.000 -0.180) 2.918 18.983 ( 0.117 0.000 -0.809) 0.817 19.174 ( 5.260 0.000 -0.358) 5.273 19.178 ( 2.906 0.000 -0.890) 3.039 19.315 ( -6.510 0.000 -2.160) 6.859 19.360 ( 0.155 0.000 -0.819) 0.834 19.441 ( 1.623 0.000 1.489) 2.203 19.526 ( 13.603 0.000 5.464) 14.659 19.573 ( 4.468 0.000 5.659) 7.210 19.659 ( 1.986 0.000 13.128) 13.277 19.904 ( -5.082 0.000 -6.634) 8.357 20.092 ( 3.431 0.000 1.852) 3.899 20.196 ( -0.321 0.000 1.863) 1.891 20.335 ( 2.394 0.000 2.214) 3.261 20.419 ( -8.346 0.000 -6.172) 10.380 20.560 ( 4.580 0.000 2.744) 5.339 20.785 ( 1.768 0.000 0.506) 1.839 20.827 ( -0.465 0.000 -4.582) 4.606 21.035 ( 7.064 0.000 -2.480) 7.486 21.793 ( -18.522 0.000 -6.505) 19.631 22.328 ( -1.078 0.000 0.296) 1.118 22.433 ( 0.777 0.000 0.312) 0.838 22.489 ( -1.985 0.000 -6.925) 7.204 22.552 ( -0.159 0.000 -1.193) 1.204 22.909 ( 0.521 0.000 -0.307) 0.605 22.934 ( -0.116 0.000 -1.005) 1.011 23.073 ( 0.021 0.000 0.226) 0.227 23.160 ( 0.363 0.000 -0.674) 0.766 23.666 ( -2.520 0.000 -8.902) 9.252 23.990 ( -0.124 0.000 -2.990) 2.993 24.099 ( -9.951 0.000 10.991) 14.826 24.935 ( 2.063 0.000 -0.032) 2.064 25.075 ( 14.479 0.000 16.954) 22.295 25.550 ( 3.015 0.000 -5.068) 5.897 25.810 ( -1.517 0.000 -0.061) 1.518 26.022 ( -6.376 0.000 -11.285) 12.962 26.505 ( 3.897 0.000 -3.995) 5.581 26.676 ( 10.022 0.000 18.658) 21.179 26.915 ( -1.926 0.000 -3.864) 4.317 27.021 ( 3.182 0.000 -1.374) 3.466 27.332 ( 1.315 0.000 -0.342) 1.359 27.929 ( 0.505 0.000 3.275) 3.314 28.072 ( -6.461 0.000 -11.892) 13.534 28.303 ( -2.131 0.000 -4.003) 4.535 28.408 ( 1.050 0.000 0.808) 1.325 28.586 ( -1.708 0.000 -0.687) 1.841 29.201 ( 0.326 0.000 0.713) 0.784 29.309 ( 2.731 0.000 4.224) 5.030 29.337 ( 1.807 0.000 0.122) 1.811 29.488 ( -0.845 0.000 -3.177) 3.287 29.528 ( -3.994 0.000 8.269) 9.183 29.642 ( -0.170 0.000 -1.846) 1.854 29.866 ( -3.329 0.000 -4.443) 5.552 30.251 ( 1.836 0.000 -8.939) 9.126 30.615 ( 14.818 0.000 0.878) 14.844 31.351 ( 3.788 0.000 -1.355) 4.023 31.422 ( -12.869 0.000 16.553) 20.967 31.731 ( 5.549 0.000 0.154) 5.551 31.823 ( 1.284 0.000 -22.234) 22.271 32.040 ( -6.045 0.000 5.889) 8.439 32.688 ( -1.683 0.000 0.043) 1.684 32.760 ( 3.446 0.000 5.848) 6.788 32.779 ( -4.198 0.000 -3.952) 5.765 33.295 ( -0.826 0.000 -3.305) 3.407 33.680 ( 8.900 0.000 -6.272) 10.888 33.848 ( -9.202 0.000 10.184) 13.726 34.553 ( 0.162 0.000 1.889) 1.896 34.664 ( 1.395 0.000 -1.270) 1.886 37.653 ( -2.181 0.000 1.605) 2.708 37.687 ( 3.519 0.000 2.457) 4.292 37.829 ( 1.895 0.000 -2.001) 2.756 38.234 ( -4.830 0.000 -5.358) 7.214 38.908 ( -0.540 0.000 -0.289) 0.612 39.013 ( 1.191 0.000 2.986) 3.215 39.125 ( -1.410 0.000 -1.972) 2.424 39.225 ( -1.338 0.000 -2.877) 3.173 39.313 ( 0.518 0.000 5.306) 5.331 39.515 ( 11.072 0.000 1.477) 11.170 39.625 ( 2.280 0.000 -1.644) 2.810 39.662 ( -1.741 0.000 4.305) 4.644 39.894 ( 7.353 0.000 11.428) 13.589 39.949 ( 3.773 0.000 -1.262) 3.979 39.955 ( -1.386 0.000 -0.119) 1.391 39.971 ( -6.390 0.000 -3.966) 7.521 40.333 ( -2.614 0.000 14.762) 14.992 40.679 ( -11.238 0.000 -8.207) 13.916 40.738 ( -9.053 0.000 -15.617) 18.051 41.256 ( 1.297 0.000 -4.710) 4.886 41.669 ( -8.468 0.000 10.194) 13.252 41.859 ( 9.057 0.000 -3.752) 9.804 42.162 ( 0.850 0.000 2.002) 2.175 42.197 ( -9.172 0.000 3.643) 9.869 42.696 ( -2.289 0.000 0.328) 2.313 42.987 ( 0.440 0.000 8.445) 8.457 43.232 ( 0.514 0.000 -5.834) 5.856 43.893 ( -0.569 0.000 4.026) 4.066 43.959 ( 7.012 0.000 -1.263) 7.125 44.305 ( -7.262 0.000 16.051) 17.618 44.436 ( 0.049 0.000 -1.173) 1.174 44.736 ( 2.822 0.000 2.488) 3.762 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.000 0.000 0.000) 0.000 1.813 ( 0.000 0.000 -0.000) 0.000 2.059 ( -0.000 0.000 -0.000) 0.000 2.122 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.188 ( 0.000 0.000 -0.000) 0.000 2.528 ( -0.000 0.000 -0.000) 0.000 2.699 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.064 ( -0.000 0.000 -0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 -0.000) 0.000 3.403 ( 0.000 0.000 -0.000) 0.000 3.565 ( 0.000 0.000 -0.000) 0.000 3.591 ( -0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 -0.000) 0.000 3.960 ( -0.000 0.000 -0.000) 0.000 4.016 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.224 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.593 ( 0.000 0.000 0.000) 0.000 4.659 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 -0.000) 0.000 5.145 ( 0.000 0.000 -0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 -0.000) 0.000 5.400 ( 0.000 0.000 -0.000) 0.000 5.410 ( -0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.804 ( 0.000 0.000 -0.000) 0.000 5.976 ( 0.000 0.000 -0.000) 0.000 6.333 ( 0.000 0.000 0.000) 0.000 6.371 ( 0.000 0.000 -0.000) 0.000 6.510 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 6.832 ( 0.000 0.000 -0.000) 0.000 6.867 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 -0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.334 ( 0.000 0.000 0.000) 0.000 7.603 ( 0.000 0.000 0.000) 0.000 7.845 ( 0.000 0.000 0.000) 0.000 7.881 ( -0.000 0.000 -0.000) 0.000 7.900 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.205 ( 0.000 0.000 0.000) 0.000 8.501 ( 0.000 0.000 -0.000) 0.000 8.925 ( 0.000 0.000 0.000) 0.000 9.055 ( -0.000 0.000 -0.000) 0.000 9.070 ( 0.000 0.000 0.000) 0.000 9.205 ( 0.000 0.000 0.000) 0.000 9.321 ( 0.000 0.000 -0.000) 0.000 9.404 ( 0.000 0.000 -0.000) 0.000 9.449 ( 0.000 0.000 0.000) 0.000 9.670 ( 0.000 0.000 0.000) 0.000 9.719 ( 0.000 0.000 -0.000) 0.000 9.765 ( 0.000 0.000 0.000) 0.000 9.930 ( 0.000 0.000 0.000) 0.000 10.131 ( 0.000 0.000 0.000) 0.000 10.307 ( 0.000 0.000 0.000) 0.000 11.041 ( 0.000 0.000 0.000) 0.000 11.212 ( 0.000 0.000 -0.000) 0.000 11.229 ( 0.000 0.000 0.000) 0.000 11.469 ( 0.000 0.000 0.000) 0.000 11.933 ( 0.000 0.000 0.000) 0.000 12.073 ( 0.000 0.000 -0.000) 0.000 12.254 ( 0.000 0.000 0.000) 0.000 12.387 ( 0.000 0.000 -0.000) 0.000 12.918 ( 0.000 0.000 0.000) 0.000 13.049 ( 0.000 0.000 0.000) 0.000 13.141 ( 0.000 0.000 -0.000) 0.000 13.553 ( 0.000 0.000 -0.000) 0.000 13.583 ( 0.000 0.000 0.000) 0.000 13.753 ( 0.000 0.000 -0.000) 0.000 13.795 ( 0.000 0.000 0.000) 0.000 13.898 ( 0.000 0.000 0.000) 0.000 14.376 ( 0.000 0.000 0.000) 0.000 14.475 ( 0.000 0.000 -0.000) 0.000 14.758 ( 0.000 0.000 0.000) 0.000 14.918 ( 0.000 0.000 0.000) 0.000 15.111 ( 0.000 0.000 0.000) 0.000 15.308 ( 0.000 0.000 -0.000) 0.000 15.493 ( 0.000 0.000 0.000) 0.000 15.517 ( 0.000 0.000 0.000) 0.000 15.945 ( 0.000 0.000 -0.000) 0.000 16.004 ( 0.000 0.000 0.000) 0.000 16.139 ( 0.000 0.000 -0.000) 0.000 16.493 ( 0.000 0.000 0.000) 0.000 16.877 ( 0.000 0.000 -0.000) 0.000 16.881 ( 0.000 0.000 0.000) 0.000 17.334 ( 0.000 0.000 0.000) 0.000 17.460 ( 0.000 0.000 0.000) 0.000 17.593 ( 0.000 0.000 0.000) 0.000 17.738 ( 0.000 0.000 0.000) 0.000 17.983 ( 0.000 0.000 0.000) 0.000 18.370 ( 0.000 0.000 0.000) 0.000 18.422 ( 0.000 0.000 0.000) 0.000 18.606 ( 0.000 0.000 0.000) 0.000 18.615 ( 0.000 0.000 0.000) 0.000 18.764 ( 0.000 0.000 -0.000) 0.000 18.835 ( -0.000 0.000 -0.000) 0.000 18.892 ( 0.000 0.000 0.000) 0.000 19.194 ( 0.000 0.000 0.000) 0.000 19.224 ( 0.000 0.000 0.000) 0.000 19.254 ( -0.000 0.000 0.000) 0.000 19.349 ( 0.000 0.000 0.000) 0.000 19.389 ( 0.000 0.000 -0.000) 0.000 19.682 ( 0.000 0.000 0.000) 0.000 19.700 ( 0.000 0.000 0.000) 0.000 19.786 ( -0.000 0.000 -0.000) 0.000 19.909 ( 0.000 0.000 -0.000) 0.000 20.143 ( 0.000 0.000 0.000) 0.000 20.162 ( 0.000 0.000 0.000) 0.000 20.198 ( 0.000 0.000 0.000) 0.000 20.375 ( 0.000 0.000 -0.000) 0.000 20.636 ( 0.000 0.000 0.000) 0.000 20.798 ( 0.000 0.000 -0.000) 0.000 20.804 ( -0.000 0.000 0.000) 0.000 21.166 ( 0.000 0.000 0.000) 0.000 21.508 ( 0.000 0.000 0.000) 0.000 22.320 ( 0.000 0.000 0.000) 0.000 22.442 ( 0.000 0.000 0.000) 0.000 22.442 ( 0.000 0.000 0.000) 0.000 22.545 ( 0.000 0.000 0.000) 0.000 22.913 ( 0.000 0.000 0.000) 0.000 22.930 ( 0.000 0.000 -0.000) 0.000 23.074 ( 0.000 0.000 0.000) 0.000 23.159 ( 0.000 0.000 0.000) 0.000 23.604 ( 0.000 0.000 -0.000) 0.000 23.978 ( 0.000 0.000 0.000) 0.000 24.058 ( 0.000 0.000 0.000) 0.000 24.953 ( 0.000 0.000 0.000) 0.000 25.329 ( 0.000 0.000 0.000) 0.000 25.560 ( 0.000 0.000 0.000) 0.000 25.801 ( 0.000 0.000 -0.000) 0.000 25.861 ( 0.000 0.000 0.000) 0.000 26.520 ( 0.000 0.000 -0.000) 0.000 26.880 ( 0.000 0.000 0.000) 0.000 26.882 ( 0.000 0.000 0.000) 0.000 27.016 ( 0.000 0.000 -0.000) 0.000 27.343 ( 0.000 0.000 0.000) 0.000 27.952 ( 0.000 0.000 0.000) 0.000 27.952 ( 0.000 0.000 0.000) 0.000 28.260 ( 0.000 0.000 0.000) 0.000 28.424 ( 0.000 0.000 0.000) 0.000 28.567 ( 0.000 0.000 0.000) 0.000 29.208 ( 0.000 0.000 0.000) 0.000 29.354 ( 0.000 0.000 0.000) 0.000 29.408 ( -0.000 0.000 -0.000) 0.000 29.413 ( 0.000 0.000 0.000) 0.000 29.525 ( 0.000 0.000 0.000) 0.000 29.639 ( 0.000 0.000 -0.000) 0.000 29.814 ( 0.000 0.000 0.000) 0.000 30.225 ( 0.000 0.000 0.000) 0.000 30.763 ( 0.000 0.000 0.000) 0.000 31.366 ( 0.000 0.000 0.000) 0.000 31.376 ( 0.000 0.000 0.000) 0.000 31.728 ( 0.000 0.000 -0.000) 0.000 31.854 ( -0.000 0.000 0.000) 0.000 31.950 ( 0.000 0.000 0.000) 0.000 32.680 ( 0.000 0.000 -0.000) 0.000 32.716 ( 0.000 0.000 0.000) 0.000 32.818 ( 0.000 0.000 0.000) 0.000 33.273 ( 0.000 0.000 0.000) 0.000 33.757 ( -0.000 0.000 0.000) 0.000 33.784 ( 0.000 0.000 -0.000) 0.000 34.566 ( 0.000 0.000 0.000) 0.000 34.669 ( 0.000 0.000 -0.000) 0.000 37.640 ( 0.000 0.000 -0.000) 0.000 37.738 ( 0.000 0.000 0.000) 0.000 37.839 ( 0.000 0.000 0.000) 0.000 38.158 ( 0.000 0.000 0.000) 0.000 38.901 ( 0.000 0.000 0.000) 0.000 39.039 ( 0.000 0.000 0.000) 0.000 39.102 ( 0.000 0.000 0.000) 0.000 39.202 ( 0.000 0.000 0.000) 0.000 39.342 ( 0.000 0.000 0.000) 0.000 39.635 ( -0.000 0.000 0.000) 0.000 39.672 ( 0.000 0.000 0.000) 0.000 39.713 ( 0.000 0.000 0.000) 0.000 39.789 ( -0.000 0.000 -0.000) 0.000 39.946 ( 0.000 0.000 -0.000) 0.000 39.956 ( 0.000 0.000 -0.000) 0.000 40.064 ( 0.000 0.000 0.000) 0.000 40.479 ( -0.000 0.000 -0.000) 0.000 40.494 ( 0.000 0.000 0.000) 0.000 40.506 ( 0.000 0.000 0.000) 0.000 41.244 ( 0.000 0.000 0.000) 0.000 41.633 ( 0.000 0.000 0.000) 0.000 41.956 ( 0.000 0.000 0.000) 0.000 42.100 ( 0.000 0.000 -0.000) 0.000 42.188 ( 0.000 0.000 0.000) 0.000 42.677 ( 0.000 0.000 -0.000) 0.000 43.029 ( 0.000 0.000 -0.000) 0.000 43.206 ( 0.000 0.000 0.000) 0.000 43.903 ( 0.000 0.000 0.000) 0.000 44.016 ( -0.000 0.000 0.000) 0.000 44.315 ( 0.000 0.000 -0.000) 0.000 44.432 ( 0.000 0.000 0.000) 0.000 44.775 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 0.000 28.610 0.000) 28.610 0.974 ( 0.000 48.015 0.000) 48.015 1.322 ( 0.000 58.988 0.000) 58.988 2.111 ( 0.000 11.982 0.000) 11.982 2.359 ( 0.000 6.125 0.000) 6.125 2.408 ( 0.000 1.236 0.000) 1.236 2.549 ( 0.000 -1.659 0.000) 1.659 2.755 ( 0.000 3.206 0.000) 3.206 2.787 ( 0.000 -1.773 0.000) 1.773 2.933 ( 0.000 -6.576 0.000) 6.576 3.060 ( 0.000 6.116 0.000) 6.116 3.073 ( 0.000 -3.545 0.000) 3.545 3.162 ( 0.000 0.645 0.000) 0.645 3.336 ( 0.000 0.437 0.000) 0.437 3.444 ( 0.000 -1.291 0.000) 1.291 3.734 ( 0.000 10.204 0.000) 10.204 3.805 ( 0.000 -0.473 0.000) 0.473 3.944 ( 0.000 3.164 0.000) 3.164 4.186 ( 0.000 -3.323 0.000) 3.323 4.302 ( 0.000 -2.862 0.000) 2.862 4.423 ( 0.000 -11.470 0.000) 11.470 4.478 ( 0.000 3.068 0.000) 3.068 4.568 ( 0.000 1.087 0.000) 1.087 4.606 ( 0.000 -0.795 0.000) 0.795 4.859 ( 0.000 -1.345 0.000) 1.345 5.081 ( 0.000 5.111 0.000) 5.111 5.187 ( 0.000 -4.870 0.000) 4.870 5.435 ( 0.000 -0.054 0.000) 0.054 5.560 ( 0.000 3.481 0.000) 3.481 5.639 ( 0.000 -12.822 0.000) 12.822 5.713 ( 0.000 5.072 0.000) 5.072 5.863 ( 0.000 7.576 0.000) 7.576 5.932 ( 0.000 -3.392 0.000) 3.392 6.027 ( 0.000 -1.230 0.000) 1.230 6.134 ( 0.000 -3.685 0.000) 3.685 6.227 ( 0.000 9.884 0.000) 9.884 6.435 ( 0.000 -5.731 0.000) 5.731 6.572 ( 0.000 3.035 0.000) 3.035 6.829 ( 0.000 14.267 0.000) 14.267 6.887 ( 0.000 10.746 0.000) 10.746 6.974 ( 0.000 -6.890 0.000) 6.890 7.284 ( 0.000 0.232 0.000) 0.232 7.426 ( 0.000 -2.697 0.000) 2.697 7.454 ( 0.000 4.836 0.000) 4.836 7.552 ( 0.000 0.897 0.000) 0.897 7.627 ( 0.000 0.087 0.000) 0.087 7.763 ( 0.000 10.440 0.000) 10.440 7.976 ( 0.000 -13.532 0.000) 13.532 8.133 ( 0.000 -7.113 0.000) 7.113 8.394 ( 0.000 4.309 0.000) 4.309 8.596 ( 0.000 1.244 0.000) 1.244 8.631 ( 0.000 4.115 0.000) 4.115 8.808 ( 0.000 2.882 0.000) 2.882 9.057 ( 0.000 1.547 0.000) 1.547 9.060 ( 0.000 -7.591 0.000) 7.591 9.134 ( 0.000 4.790 0.000) 4.790 9.197 ( 0.000 -15.531 0.000) 15.531 9.420 ( 0.000 0.675 0.000) 0.675 9.440 ( 0.000 -1.083 0.000) 1.083 9.478 ( 0.000 4.446 0.000) 4.446 10.195 ( 0.000 -6.687 0.000) 6.687 10.206 ( 0.000 -4.478 0.000) 4.478 10.237 ( 0.000 -4.434 0.000) 4.434 10.437 ( 0.000 -8.872 0.000) 8.872 11.060 ( 0.000 1.722 0.000) 1.722 11.174 ( 0.000 4.344 0.000) 4.344 11.200 ( 0.000 0.342 0.000) 0.342 11.617 ( 0.000 -2.498 0.000) 2.498 11.821 ( 0.000 0.314 0.000) 0.314 12.098 ( 0.000 -7.123 0.000) 7.123 12.175 ( 0.000 -3.206 0.000) 3.206 12.397 ( 0.000 -4.682 0.000) 4.682 12.866 ( 0.000 0.091 0.000) 0.091 12.963 ( 0.000 0.728 0.000) 0.728 13.075 ( 0.000 -8.511 0.000) 8.511 13.296 ( 0.000 -8.152 0.000) 8.152 13.773 ( 0.000 0.140 0.000) 0.140 13.822 ( 0.000 -2.243 0.000) 2.243 13.879 ( 0.000 4.027 0.000) 4.027 14.017 ( 0.000 3.919 0.000) 3.919 14.110 ( 0.000 3.802 0.000) 3.802 14.372 ( 0.000 12.281 0.000) 12.281 14.749 ( 0.000 8.135 0.000) 8.135 14.878 ( 0.000 4.353 0.000) 4.353 14.947 ( 0.000 3.731 0.000) 3.731 15.387 ( 0.000 -18.085 0.000) 18.085 15.640 ( 0.000 4.915 0.000) 4.915 15.904 ( 0.000 1.451 0.000) 1.451 16.011 ( 0.000 -1.844 0.000) 1.844 16.051 ( 0.000 -10.913 0.000) 10.913 16.515 ( 0.000 -4.793 0.000) 4.793 16.595 ( 0.000 6.274 0.000) 6.274 16.648 ( 0.000 12.592 0.000) 12.592 16.844 ( 0.000 -0.028 0.000) 0.028 17.069 ( 0.000 9.203 0.000) 9.203 17.451 ( 0.000 7.727 0.000) 7.727 17.648 ( 0.000 7.764 0.000) 7.764 17.744 ( 0.000 -0.542 0.000) 0.542 18.195 ( 0.000 -3.718 0.000) 3.718 18.242 ( 0.000 0.803 0.000) 0.803 18.497 ( 0.000 -7.279 0.000) 7.279 18.498 ( 0.000 1.401 0.000) 1.401 18.544 ( 0.000 -3.925 0.000) 3.925 18.669 ( 0.000 -3.365 0.000) 3.365 18.745 ( 0.000 0.209 0.000) 0.209 18.941 ( 0.000 4.687 0.000) 4.687 19.024 ( 0.000 -5.315 0.000) 5.315 19.032 ( 0.000 -0.658 0.000) 0.658 19.171 ( 0.000 3.570 0.000) 3.570 19.255 ( 0.000 1.676 0.000) 1.676 19.451 ( 0.000 2.015 0.000) 2.015 19.489 ( 0.000 -1.831 0.000) 1.831 19.492 ( 0.000 4.580 0.000) 4.580 19.803 ( 0.000 -2.662 0.000) 2.662 20.037 ( 0.000 -0.755 0.000) 0.755 20.079 ( 0.000 2.062 0.000) 2.062 20.131 ( 0.000 -3.343 0.000) 3.343 20.138 ( 0.000 0.586 0.000) 0.586 20.202 ( 0.000 -6.007 0.000) 6.007 20.656 ( 0.000 -11.972 0.000) 11.972 20.659 ( 0.000 -5.874 0.000) 5.874 20.674 ( 0.000 4.890 0.000) 4.890 21.152 ( 0.000 -7.573 0.000) 7.573 22.024 ( 0.000 -16.737 0.000) 16.737 22.354 ( 0.000 -0.335 0.000) 0.335 22.400 ( 0.000 -0.463 0.000) 0.463 22.459 ( 0.000 -10.448 0.000) 10.448 22.479 ( 0.000 -8.070 0.000) 8.070 22.900 ( 0.000 1.015 0.000) 1.015 22.968 ( 0.000 0.082 0.000) 0.082 23.058 ( 0.000 -1.319 0.000) 1.319 23.131 ( 0.000 -1.418 0.000) 1.418 24.017 ( 0.000 6.582 0.000) 6.582 24.191 ( 0.000 -4.439 0.000) 4.439 24.369 ( 0.000 18.830 0.000) 18.830 24.592 ( 0.000 11.096 0.000) 11.096 25.036 ( 0.000 17.317 0.000) 17.317 25.564 ( 0.000 -8.933 0.000) 8.933 25.977 ( 0.000 1.968 0.000) 1.968 26.027 ( 0.000 11.844 0.000) 11.844 26.092 ( 0.000 17.979 0.000) 17.979 26.490 ( 0.000 -1.758 0.000) 1.758 26.907 ( 0.000 2.175 0.000) 2.175 27.070 ( 0.000 5.617 0.000) 5.617 27.328 ( 0.000 2.781 0.000) 2.781 27.787 ( 0.000 -1.610 0.000) 1.610 27.954 ( 0.000 2.085 0.000) 2.085 28.318 ( 0.000 2.638 0.000) 2.638 28.587 ( 0.000 -5.520 0.000) 5.520 28.909 ( 0.000 -10.514 0.000) 10.514 29.055 ( 0.000 -16.263 0.000) 16.263 29.139 ( 0.000 -4.823 0.000) 4.823 29.179 ( 0.000 -0.125 0.000) 0.125 29.344 ( 0.000 -14.527 0.000) 14.527 29.629 ( 0.000 -0.126 0.000) 0.126 29.663 ( 0.000 -2.748 0.000) 2.748 30.027 ( 0.000 8.850 0.000) 8.850 30.239 ( 0.000 -0.727 0.000) 0.727 30.425 ( 0.000 22.900 0.000) 22.900 31.171 ( 0.000 -0.482 0.000) 0.482 31.450 ( 0.000 -7.096 0.000) 7.096 31.749 ( 0.000 -4.433 0.000) 4.433 31.914 ( 0.000 4.849 0.000) 4.849 31.994 ( 0.000 2.969 0.000) 2.969 32.499 ( 0.000 -1.391 0.000) 1.391 32.743 ( 0.000 -4.571 0.000) 4.571 32.966 ( 0.000 1.715 0.000) 1.715 33.481 ( 0.000 0.995 0.000) 0.995 33.595 ( 0.000 -3.520 0.000) 3.520 33.740 ( 0.000 0.019 0.000) 0.019 34.548 ( 0.000 0.856 0.000) 0.856 34.626 ( 0.000 -0.544 0.000) 0.544 37.581 ( 0.000 0.040 0.000) 0.040 37.796 ( 0.000 -2.724 0.000) 2.724 37.873 ( 0.000 4.759 0.000) 4.759 38.372 ( 0.000 -4.278 0.000) 4.278 38.977 ( 0.000 5.817 0.000) 5.817 38.990 ( 0.000 5.725 0.000) 5.725 39.223 ( 0.000 3.109 0.000) 3.109 39.248 ( 0.000 -0.935 0.000) 0.935 39.322 ( 0.000 5.480 0.000) 5.480 39.466 ( 0.000 0.892 0.000) 0.892 39.572 ( 0.000 3.330 0.000) 3.330 39.605 ( 0.000 1.244 0.000) 1.244 39.612 ( 0.000 0.457 0.000) 0.457 39.674 ( 0.000 -4.142 0.000) 4.142 39.971 ( 0.000 -1.810 0.000) 1.810 40.164 ( 0.000 5.391 0.000) 5.391 40.484 ( 0.000 -11.488 0.000) 11.488 40.948 ( 0.000 -7.590 0.000) 7.590 41.078 ( 0.000 -2.264 0.000) 2.264 41.485 ( 0.000 -10.900 0.000) 10.900 41.733 ( 0.000 2.653 0.000) 2.653 41.793 ( 0.000 4.478 0.000) 4.478 42.378 ( 0.000 4.509 0.000) 4.509 42.539 ( 0.000 -17.480 0.000) 17.480 42.567 ( 0.000 -10.428 0.000) 10.428 43.176 ( 0.000 -3.735 0.000) 3.735 43.389 ( 0.000 16.548 0.000) 16.548 43.419 ( 0.000 9.263 0.000) 9.263 43.771 ( 0.000 0.085 0.000) 0.085 43.855 ( 0.000 4.130 0.000) 4.130 44.632 ( 0.000 0.529 0.000) 0.529 44.784 ( 0.000 -1.609 0.000) 1.609 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 23.647 19.734 -7.213) 31.633 1.237 ( 19.304 32.830 13.970) 40.567 1.701 ( 20.332 26.561 16.701) 37.387 2.085 ( -4.351 -1.497 -0.393) 4.618 2.283 ( 1.391 3.785 -6.442) 7.600 2.507 ( -2.485 -7.699 8.907) 12.032 2.586 ( -6.889 8.265 16.477) 19.679 2.636 ( 0.843 10.136 -4.207) 11.007 2.753 ( -6.303 -2.785 0.016) 6.891 2.917 ( 1.113 -1.450 5.054) 5.375 3.066 ( -2.293 5.576 8.291) 10.251 3.142 ( 0.392 7.013 -4.642) 8.419 3.166 ( 4.613 -3.428 8.310) 10.104 3.378 ( 4.650 -0.790 0.288) 4.725 3.459 ( 0.821 -0.272 1.543) 1.769 3.667 ( -7.485 6.355 10.802) 14.598 3.884 ( 7.795 5.858 -3.208) 10.265 3.993 ( 0.602 -0.081 6.082) 6.112 4.176 ( 1.251 -5.359 -14.978) 15.957 4.289 ( -1.002 0.526 -5.276) 5.396 4.310 ( -4.596 3.586 -10.861) 12.326 4.346 ( 2.098 -5.667 2.274) 6.456 4.652 ( -4.012 6.391 4.360) 8.715 4.706 ( 9.220 1.428 3.138) 9.843 4.863 ( 0.168 -1.075 0.506) 1.200 5.051 ( 0.901 2.581 -0.335) 2.754 5.122 ( -2.912 5.251 -0.867) 6.067 5.399 ( -2.770 -3.496 -2.199) 4.973 5.439 ( -6.934 -1.419 -6.944) 9.915 5.561 ( -3.168 4.976 -1.687) 6.136 5.733 ( -2.713 1.840 -5.569) 6.462 5.810 ( 0.805 -1.579 1.306) 2.201 5.909 ( -6.098 -1.943 -3.165) 7.140 6.037 ( -6.522 3.333 -5.534) 9.180 6.086 ( -1.092 -7.538 4.074) 8.638 6.137 ( 1.350 10.127 -0.889) 10.255 6.488 ( -7.740 4.434 -3.755) 9.678 6.577 ( 7.449 -1.838 4.333) 8.811 6.777 ( -2.297 8.193 -0.400) 8.519 6.859 ( -1.363 9.318 1.215) 9.496 6.971 ( -1.160 -0.497 -2.474) 2.777 7.200 ( -5.527 -0.785 -2.444) 6.094 7.262 ( -7.850 1.057 -12.813) 15.063 7.463 ( -3.615 -0.446 2.242) 4.277 7.508 ( -0.586 -2.071 5.141) 5.573 7.599 ( 0.226 -3.326 -0.973) 3.473 7.780 ( -1.101 6.009 2.004) 6.430 7.992 ( 2.121 -4.634 -4.906) 7.074 8.185 ( 2.312 -3.504 0.339) 4.212 8.359 ( -4.705 1.091 1.437) 5.039 8.536 ( -3.171 7.629 -2.473) 8.624 8.777 ( 0.435 -1.271 14.442) 14.505 8.913 ( -0.795 -5.168 2.071) 5.624 8.995 ( 7.166 -4.184 0.077) 8.299 9.092 ( 1.632 -5.373 -3.213) 6.470 9.155 ( 2.312 -5.106 3.685) 6.708 9.347 ( 6.423 -5.156 3.193) 8.834 9.431 ( 0.405 -0.615 1.599) 1.760 9.501 ( 7.054 0.567 -0.563) 7.099 9.590 ( 8.751 1.618 2.112) 9.147 10.109 ( -7.036 -1.218 -5.146) 8.802 10.165 ( -0.640 -4.445 -2.743) 5.262 10.185 ( -7.068 -5.171 -4.315) 9.763 10.396 ( -2.556 0.154 0.660) 2.644 11.100 ( 0.726 2.337 -0.175) 2.453 11.130 ( 1.570 -0.094 1.021) 1.875 11.270 ( 3.934 -2.154 1.707) 4.799 11.503 ( -7.109 -0.103 -6.052) 9.337 11.860 ( 1.359 0.113 3.280) 3.552 12.116 ( -1.106 -5.528 -0.815) 5.696 12.178 ( 2.758 -6.600 0.220) 7.157 12.343 ( -3.882 -4.362 -3.008) 6.569 12.914 ( 3.178 -0.401 1.716) 3.634 12.938 ( -1.117 -0.354 0.166) 1.184 13.085 ( 0.734 -6.271 0.143) 6.316 13.346 ( 3.416 -8.845 3.565) 10.130 13.739 ( -3.755 -0.011 -0.351) 3.772 13.784 ( -3.377 -1.159 -0.200) 3.576 13.853 ( -1.637 4.223 -1.379) 4.734 13.982 ( -2.290 3.601 -2.399) 4.896 14.180 ( 6.727 3.011 0.067) 7.371 14.441 ( 5.374 13.026 3.894) 14.619 14.671 ( -3.624 0.990 -1.124) 3.921 14.905 ( 1.732 1.682 2.966) 3.824 15.061 ( 2.810 9.976 9.016) 13.737 15.336 ( -2.011 -15.958 -7.566) 17.775 15.615 ( -3.522 -1.490 2.604) 4.626 15.810 ( -4.882 -4.275 -14.815) 16.174 15.991 ( 0.681 -2.344 -1.408) 2.818 16.082 ( 1.855 2.177 5.372) 6.086 16.433 ( -2.777 5.036 -9.264) 10.904 16.473 ( -2.336 13.654 -9.348) 16.711 16.785 ( 1.637 3.616 17.329) 17.778 16.922 ( -2.531 2.449 -6.924) 7.768 17.050 ( 6.800 -5.395 7.230) 11.297 17.558 ( 4.963 1.379 2.351) 5.662 17.676 ( 2.949 8.774 -4.514) 10.298 17.748 ( 1.381 4.222 2.045) 4.890 18.161 ( -9.494 1.173 -4.867) 10.733 18.240 ( 3.380 -3.576 3.651) 6.128 18.315 ( -4.391 -0.145 0.002) 4.394 18.525 ( 0.657 -2.027 0.046) 2.132 18.620 ( -1.951 -3.587 -0.639) 4.133 18.713 ( 4.427 -7.846 0.772) 9.041 18.759 ( 4.034 -1.981 2.684) 5.235 18.912 ( -6.923 0.841 -0.286) 6.980 19.012 ( 5.271 -1.107 1.902) 5.712 19.117 ( 4.951 -3.606 -1.857) 6.401 19.247 ( 6.780 2.949 3.719) 8.276 19.311 ( 3.601 -3.187 1.892) 5.168 19.424 ( -3.579 1.543 4.150) 5.693 19.459 ( -1.658 3.093 -0.714) 3.581 19.551 ( 2.654 2.770 2.495) 4.576 19.656 ( -8.639 -0.940 -3.249) 9.278 19.999 ( -4.590 -2.552 -4.438) 6.876 20.053 ( 0.248 0.086 -1.534) 1.556 20.198 ( 1.577 2.540 2.514) 3.905 20.203 ( 1.642 -7.667 4.292) 8.939 20.277 ( 10.240 -3.545 2.709) 11.170 20.575 ( -5.470 -13.067 -5.762) 15.293 20.661 ( -1.059 0.720 -1.677) 2.110 20.694 ( 2.467 -4.372 0.746) 5.075 21.181 ( 6.495 3.003 -3.198) 7.838 21.961 ( -8.634 -13.328 1.577) 15.958 22.346 ( -1.159 -0.060 0.536) 1.278 22.408 ( 0.855 -1.141 -0.467) 1.501 22.461 ( -0.262 -7.930 -2.147) 8.220 22.492 ( 1.937 -6.252 0.190) 6.548 22.904 ( 0.360 0.681 -0.193) 0.794 22.968 ( -0.133 0.983 -0.393) 1.067 23.060 ( 0.023 -1.297 0.100) 1.302 23.139 ( 0.979 -1.524 -0.292) 1.834 23.975 ( 1.942 10.227 -14.155) 17.570 24.143 ( -7.525 -1.454 7.817) 10.948 24.256 ( -6.604 14.883 -4.397) 16.866 24.773 ( 8.799 9.956 12.587) 18.302 25.061 ( 0.709 15.849 4.640) 16.529 25.462 ( -0.567 -8.081 -8.622) 11.831 25.929 ( -1.879 5.955 -1.302) 6.379 26.035 ( 2.986 -0.617 -3.684) 4.782 26.312 ( 5.865 0.333 7.872) 9.822 26.586 ( 8.056 6.715 2.549) 10.793 26.922 ( 1.304 1.296 -0.774) 1.995 27.089 ( 3.089 7.903 -1.553) 8.626 27.344 ( 1.738 3.441 0.207) 3.860 27.913 ( 4.857 -5.437 2.465) 7.696 27.974 ( 1.870 -2.533 -1.046) 3.318 28.341 ( 1.497 0.435 1.453) 2.131 28.577 ( -0.989 -4.905 -0.157) 5.006 28.788 ( -9.881 11.562 -20.189) 25.277 28.984 ( 3.711 -17.721 2.029) 18.219 29.143 ( 0.096 -5.246 0.688) 5.292 29.193 ( 1.865 -15.269 2.850) 15.645 29.377 ( -0.932 -7.895 4.646) 9.208 29.579 ( -5.535 2.733 5.988) 8.600 29.650 ( -1.613 -1.408 0.123) 2.145 30.127 ( 1.894 8.653 -3.345) 9.468 30.258 ( 3.025 -0.783 7.142) 7.796 30.478 ( 12.821 15.007 -16.029) 25.427 31.259 ( 5.856 0.540 3.572) 6.880 31.431 ( -5.044 -5.361 8.782) 11.458 31.730 ( -2.255 -2.497 -3.373) 4.764 31.933 ( 2.120 -1.607 -6.880) 7.377 32.037 ( -0.462 0.996 6.162) 6.259 32.521 ( 3.189 -3.888 3.948) 6.393 32.782 ( -0.317 -2.175 1.164) 2.487 32.926 ( -2.846 3.366 -2.603) 5.119 33.355 ( -5.533 -2.863 -10.145) 11.905 33.543 ( 1.902 -0.532 -1.620) 2.554 33.777 ( -3.702 -4.844 8.983) 10.857 34.561 ( 0.508 0.775 -0.227) 0.954 34.631 ( 1.195 -1.161 -0.851) 1.870 37.606 ( 2.017 -0.094 1.701) 2.640 37.744 ( -3.505 1.021 -1.881) 4.106 37.856 ( 0.756 4.925 -1.511) 5.207 38.324 ( -3.364 -4.006 -4.349) 6.803 38.978 ( -0.432 5.657 -0.156) 5.675 39.020 ( 1.894 5.980 2.768) 6.856 39.213 ( -1.187 3.111 -1.272) 3.564 39.251 ( -0.594 1.371 3.623) 3.919 39.373 ( 6.463 2.371 -2.337) 7.271 39.455 ( -4.289 9.792 -4.242) 11.501 39.543 ( 3.738 -2.598 3.660) 5.842 39.617 ( -2.095 -3.546 2.686) 4.917 39.682 ( 5.482 -0.303 6.556) 8.551 39.754 ( 7.078 -4.219 -1.776) 8.429 39.966 ( -0.289 -1.911 -0.785) 2.086 40.171 ( 2.378 7.097 -8.304) 11.180 40.395 ( -13.759 1.957 6.543) 15.360 40.539 ( -14.082 -15.636 -4.128) 21.444 41.121 ( -1.619 -10.517 -10.259) 14.781 41.331 ( -9.628 3.139 -14.098) 17.359 41.716 ( -6.570 1.150 8.298) 10.646 41.853 ( 3.774 0.402 10.240) 10.921 42.144 ( -14.011 0.776 -2.069) 14.184 42.437 ( -1.600 9.255 4.080) 10.241 42.649 ( -2.665 -8.683 3.909) 9.888 43.092 ( 0.792 14.075 -2.133) 14.258 43.194 ( -7.320 -4.427 4.645) 9.734 43.802 ( 6.910 -1.658 1.580) 7.279 43.892 ( 1.763 0.144 7.453) 7.660 43.943 ( 9.765 -5.972 7.563) 13.720 44.644 ( -0.470 2.976 3.475) 4.600 44.792 ( -4.219 7.320 11.227) 14.051 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 31.694 6.906 -6.407) 33.064 1.689 ( 17.035 8.280 10.342) 21.580 1.955 ( -0.925 -8.504 1.792) 8.740 1.966 ( -3.699 -0.571 0.310) 3.755 2.223 ( -2.633 -0.706 -5.582) 6.212 2.381 ( -15.427 -0.973 5.338) 16.353 2.563 ( -4.083 -0.903 0.572) 4.220 2.652 ( 0.527 -6.024 1.463) 6.221 2.877 ( 2.354 4.744 4.519) 6.962 2.959 ( 0.380 -3.418 3.621) 4.994 3.109 ( -2.027 5.092 10.761) 12.077 3.186 ( 4.252 -0.102 13.086) 13.760 3.406 ( 7.329 1.505 10.015) 12.501 3.439 ( -5.626 -1.571 2.545) 6.372 3.498 ( 9.037 6.113 3.710) 11.524 3.768 ( 8.325 13.949 12.445) 20.463 3.935 ( 0.098 4.635 -16.600) 17.235 4.010 ( 0.351 -7.539 -1.661) 7.728 4.060 ( 8.984 9.606 6.688) 14.755 4.271 ( 0.969 3.876 -2.522) 4.725 4.301 ( 0.470 1.552 3.650) 3.994 4.411 ( 0.093 2.681 -0.493) 2.727 4.584 ( -1.026 6.387 0.927) 6.535 4.788 ( -0.943 1.901 -5.314) 5.722 4.930 ( 2.524 -3.507 1.866) 4.707 5.048 ( -1.195 6.158 -2.767) 6.856 5.100 ( 4.046 -1.146 2.193) 4.742 5.251 ( -3.529 2.493 -4.071) 5.936 5.387 ( -6.549 -0.801 -5.768) 8.764 5.467 ( -3.353 6.695 -3.134) 8.117 5.576 ( -2.824 3.910 -5.243) 7.124 5.702 ( -13.038 -2.919 -5.816) 14.572 5.749 ( -8.182 -0.714 -3.928) 9.104 6.018 ( 0.423 -0.333 -1.818) 1.896 6.077 ( 2.396 9.580 6.865) 12.026 6.150 ( 0.022 -0.234 1.094) 1.119 6.328 ( -5.540 1.548 0.657) 5.789 6.665 ( 1.955 -0.610 -7.603) 7.874 6.781 ( 0.230 1.658 -1.692) 2.380 6.850 ( -3.550 7.043 -4.342) 9.003 6.879 ( 1.703 4.866 -2.949) 5.939 7.024 ( -6.158 -2.610 -0.447) 6.703 7.204 ( -0.347 0.082 1.593) 1.632 7.373 ( -10.354 -5.614 -5.347) 12.935 7.436 ( 0.426 -6.144 2.328) 6.584 7.724 ( 6.419 -11.619 5.339) 14.308 7.845 ( 2.306 1.153 2.292) 3.450 7.912 ( -1.424 -3.383 1.087) 3.828 8.179 ( -2.527 4.446 -2.451) 5.671 8.276 ( -4.907 9.943 0.939) 11.128 8.502 ( -0.541 0.757 -2.818) 2.968 8.877 ( 1.263 -11.308 1.848) 11.527 8.921 ( -0.141 3.701 8.854) 9.597 9.082 ( 1.338 -8.729 1.738) 9.000 9.166 ( 7.415 -8.090 -2.813) 11.329 9.266 ( 3.093 2.639 8.522) 9.442 9.387 ( -1.293 -3.676 2.402) 4.577 9.435 ( 0.281 2.305 -4.553) 5.111 9.618 ( 3.220 -0.097 2.037) 3.811 9.716 ( 5.062 -1.301 -1.310) 5.388 9.926 ( -4.805 8.587 -11.726) 15.307 9.988 ( -4.162 -1.241 -2.152) 4.847 10.239 ( 5.448 0.103 0.860) 5.517 10.315 ( -6.344 6.027 -0.406) 8.760 11.072 ( -1.766 1.726 -0.433) 2.507 11.187 ( 1.552 -1.135 0.855) 2.104 11.314 ( -4.649 -0.737 -4.679) 6.637 11.390 ( 3.442 -2.446 1.679) 4.544 11.904 ( 0.993 -0.694 1.895) 2.249 12.070 ( -3.236 -3.640 2.034) 5.278 12.237 ( 2.469 -10.096 -1.684) 10.529 12.247 ( -2.045 -5.625 -3.795) 7.087 12.902 ( -1.611 -0.786 1.037) 2.071 13.011 ( 4.271 -0.979 0.652) 4.430 13.092 ( -0.476 -3.414 0.562) 3.492 13.443 ( 3.300 -9.238 3.645) 10.465 13.661 ( -3.878 2.123 -0.780) 4.489 13.739 ( -1.115 0.008 -0.323) 1.161 13.817 ( -1.420 2.408 -0.499) 2.840 13.922 ( -1.708 1.881 -2.470) 3.544 14.292 ( 5.963 1.272 -1.033) 6.184 14.578 ( 6.009 12.752 2.288) 14.282 14.630 ( -2.909 -3.574 4.254) 6.272 14.962 ( 1.725 -1.262 3.147) 3.804 15.131 ( -1.612 -4.430 -1.184) 4.861 15.241 ( -1.906 5.898 -0.767) 6.246 15.544 ( -5.984 -11.004 -6.605) 14.161 15.646 ( 0.515 3.440 1.120) 3.654 15.991 ( -0.136 -2.676 -9.762) 10.123 16.089 ( -2.190 15.724 -1.820) 15.979 16.343 ( 4.076 9.987 0.010) 10.787 16.469 ( -0.672 4.856 3.521) 6.035 16.748 ( -4.361 1.458 -11.032) 11.952 16.963 ( 3.292 5.729 15.512) 16.861 17.291 ( 9.038 -12.519 9.775) 18.274 17.560 ( -5.105 -4.520 -4.447) 8.141 17.578 ( -3.063 4.155 -14.890) 15.760 17.776 ( -2.861 9.530 1.736) 10.101 18.047 ( 1.608 6.655 2.410) 7.258 18.309 ( 0.763 -1.423 2.863) 3.287 18.351 ( 3.680 -3.378 4.086) 6.454 18.536 ( 1.183 -5.632 -0.710) 5.798 18.598 ( 0.083 -1.646 -0.110) 1.652 18.737 ( 1.485 -2.041 -0.657) 2.608 18.786 ( -5.860 -0.390 -0.582) 5.902 18.899 ( 4.257 -5.893 3.184) 7.936 19.113 ( 4.290 -4.560 0.818) 6.314 19.179 ( 4.306 -4.353 -1.145) 6.229 19.300 ( -8.580 -3.620 -3.837) 10.072 19.336 ( -2.112 -6.858 0.646) 7.205 19.389 ( 5.171 -2.569 0.950) 5.852 19.490 ( 0.444 -3.335 3.577) 4.910 19.578 ( 3.706 1.917 5.422) 6.841 19.672 ( 5.162 3.240 1.788) 6.351 19.854 ( -5.975 -3.814 -5.597) 9.032 20.065 ( 0.972 -3.358 1.039) 3.647 20.198 ( -0.489 -1.510 0.398) 1.637 20.293 ( -3.463 -4.170 0.617) 5.455 20.342 ( 0.240 -6.058 0.763) 6.111 20.542 ( 6.524 -2.318 3.199) 7.627 20.598 ( -2.966 -4.362 -5.139) 7.364 20.738 ( 2.183 -4.186 -0.802) 4.788 21.316 ( 10.427 13.488 -0.579) 17.058 21.763 ( -13.548 -2.666 -1.823) 13.928 22.327 ( -1.373 -0.045 0.508) 1.465 22.403 ( 0.056 -3.666 -2.415) 4.391 22.449 ( 0.384 -0.305 -0.328) 0.590 22.521 ( 1.245 -3.782 -0.007) 3.981 22.908 ( 0.284 0.478 -0.091) 0.564 22.961 ( 0.004 2.157 -0.549) 2.226 23.060 ( -0.065 -1.322 0.198) 1.339 23.152 ( 0.677 -1.211 -0.342) 1.429 23.879 ( 1.165 16.521 -11.695) 20.275 24.084 ( -8.430 -0.429 10.063) 13.134 24.135 ( -2.925 11.428 -3.490) 12.302 24.981 ( 4.008 8.647 4.866) 10.701 25.176 ( 4.863 6.708 12.489) 14.987 25.427 ( 2.001 -8.449 -3.907) 9.522 25.897 ( -0.730 6.079 -0.876) 6.185 25.996 ( -1.334 -0.021 -7.575) 7.691 26.402 ( 1.378 -12.184 0.538) 12.274 26.761 ( 6.896 12.719 5.192) 15.371 26.927 ( 0.994 -0.726 -1.911) 2.272 27.146 ( 3.417 10.927 0.226) 11.451 27.385 ( 2.087 6.341 1.167) 6.777 27.909 ( -3.140 -10.565 -4.860) 12.046 28.003 ( 1.306 6.829 4.045) 8.043 28.371 ( 0.272 -3.515 0.331) 3.541 28.498 ( -6.833 12.704 -9.121) 17.066 28.559 ( -0.993 -3.214 -0.189) 3.369 29.084 ( 4.465 -15.360 2.836) 16.245 29.156 ( 0.622 -4.757 0.566) 4.831 29.252 ( 2.609 -14.724 0.624) 14.967 29.377 ( -1.216 -5.916 -0.569) 6.066 29.551 ( -2.697 1.836 3.318) 4.653 29.634 ( -0.023 -0.553 -0.433) 0.703 30.038 ( -4.752 11.704 -2.978) 12.978 30.375 ( 3.703 9.552 -0.515) 10.258 30.592 ( 10.673 -0.072 -4.636) 11.637 31.339 ( -1.155 -0.935 6.158) 6.335 31.462 ( -3.019 3.013 8.388) 9.410 31.697 ( 4.378 -3.245 -2.524) 6.006 31.845 ( 0.089 2.462 -12.788) 13.023 32.034 ( -5.635 -0.146 4.074) 6.955 32.626 ( 2.564 -5.503 3.981) 7.260 32.738 ( -2.290 -0.553 -0.389) 2.388 32.830 ( -4.412 3.139 -3.655) 6.533 33.265 ( 0.374 -6.002 -3.341) 6.879 33.585 ( 3.214 -7.121 -0.400) 7.823 33.774 ( -3.216 -3.708 4.905) 6.939 34.563 ( -0.125 0.336 0.547) 0.654 34.641 ( 0.958 -2.241 -1.432) 2.827 37.658 ( 0.334 0.168 1.950) 1.986 37.695 ( 0.427 0.519 -0.535) 0.859 37.871 ( 1.530 4.179 -0.387) 4.467 38.211 ( -4.364 -2.263 -4.314) 6.540 38.968 ( -0.463 5.952 -0.121) 5.971 39.068 ( 0.850 5.477 2.084) 5.922 39.179 ( -1.081 5.298 -1.074) 5.513 39.259 ( -0.429 1.833 -0.509) 1.950 39.393 ( -0.941 8.426 1.274) 8.574 39.506 ( 9.803 -0.834 -0.495) 9.851 39.610 ( -1.435 -3.274 2.967) 4.646 39.616 ( 2.860 -2.723 0.721) 4.014 39.837 ( 4.237 -5.469 -2.144) 7.243 39.874 ( 5.228 -2.130 9.022) 10.642 39.941 ( -1.768 -2.312 -1.464) 3.258 40.012 ( -9.920 0.768 -0.514) 9.963 40.352 ( -3.659 -5.037 3.819) 7.304 40.401 ( 1.730 -7.198 -2.614) 7.851 40.961 ( -4.173 -15.541 -9.340) 18.606 41.020 ( -11.922 10.332 -11.534) 19.543 41.710 ( -2.605 -1.113 7.141) 7.683 41.867 ( -4.700 -11.602 -2.876) 12.844 42.115 ( 6.596 14.279 3.533) 16.120 42.413 ( -6.311 8.010 5.285) 11.485 42.624 ( -1.765 -4.262 1.157) 4.756 43.105 ( 0.929 -11.044 -7.930) 13.628 43.133 ( -2.913 11.628 8.416) 14.647 43.877 ( -0.299 -2.327 3.937) 4.582 43.976 ( 4.713 0.920 -0.973) 4.899 44.102 ( 3.631 -7.369 4.071) 9.169 44.671 ( -1.887 11.266 7.000) 13.398 44.832 ( 0.573 8.463 4.088) 9.416 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 0.079 0.000) 0.079 1.768 ( 0.000 -5.391 0.000) 5.391 1.966 ( -0.000 -8.164 0.000) 8.164 2.023 ( 0.000 -4.215 -0.000) 4.215 2.163 ( 0.000 -0.249 -0.000) 0.249 2.213 ( 0.000 5.466 0.000) 5.466 2.539 ( 0.000 0.893 0.000) 0.893 2.621 ( 0.000 -12.824 0.000) 12.824 2.914 ( 0.000 -5.289 0.000) 5.289 2.979 ( 0.000 -3.872 -0.000) 3.872 3.176 ( -0.000 12.102 -0.000) 12.102 3.179 ( 0.000 0.616 0.000) 0.616 3.412 ( 0.000 -2.467 0.000) 2.467 3.535 ( 0.000 -7.364 -0.000) 7.364 3.600 ( 0.000 0.246 0.000) 0.246 3.920 ( 0.000 -7.012 0.000) 7.012 3.967 ( 0.000 14.152 0.000) 14.152 4.103 ( 0.000 4.669 -0.000) 4.669 4.189 ( 0.000 12.412 -0.000) 12.412 4.213 ( 0.000 10.601 0.000) 10.601 4.336 ( 0.000 3.822 -0.000) 3.822 4.390 ( 0.000 9.589 0.000) 9.589 4.604 ( 0.000 4.802 0.000) 4.802 4.728 ( 0.000 4.349 0.000) 4.349 4.873 ( 0.000 -1.087 0.000) 1.087 5.084 ( 0.000 2.320 -0.000) 2.320 5.197 ( 0.000 4.526 -0.000) 4.526 5.220 ( 0.000 -0.788 0.000) 0.788 5.274 ( 0.000 4.146 0.000) 4.146 5.340 ( 0.000 -5.530 0.000) 5.530 5.411 ( 0.000 3.550 0.000) 3.550 5.628 ( 0.000 3.721 -0.000) 3.721 5.668 ( 0.000 2.161 0.000) 2.161 5.984 ( 0.000 4.543 0.000) 4.543 6.080 ( 0.000 12.272 -0.000) 12.272 6.284 ( 0.000 -5.469 -0.000) 5.469 6.323 ( -0.000 -3.267 0.000) 3.267 6.525 ( 0.000 1.694 0.000) 1.694 6.732 ( 0.000 0.410 0.000) 0.410 6.806 ( 0.000 3.702 0.000) 3.702 6.937 ( 0.000 4.602 0.000) 4.602 6.981 ( 0.000 -4.224 -0.000) 4.224 7.205 ( 0.000 3.424 -0.000) 3.424 7.240 ( 0.000 -6.845 0.000) 6.845 7.480 ( 0.000 -9.002 0.000) 9.002 7.725 ( 0.000 -12.200 0.000) 12.200 7.869 ( 0.000 -4.709 0.000) 4.709 8.083 ( -0.000 9.143 -0.000) 9.143 8.085 ( 0.000 -6.124 0.000) 6.124 8.220 ( 0.000 12.120 0.000) 12.120 8.453 ( 0.000 -1.161 0.000) 1.161 8.890 ( 0.000 -13.004 0.000) 13.004 8.987 ( 0.000 -10.411 -0.000) 10.411 9.141 ( -0.000 0.388 -0.000) 0.388 9.156 ( 0.000 5.039 0.000) 5.039 9.362 ( 0.000 -1.571 -0.000) 1.571 9.363 ( -0.000 -2.546 0.000) 2.546 9.410 ( 0.000 3.897 0.000) 3.897 9.654 ( 0.000 -1.472 0.000) 1.472 9.742 ( 0.000 -1.916 0.000) 1.916 9.835 ( 0.000 8.781 0.000) 8.781 9.970 ( 0.000 5.062 0.000) 5.062 10.226 ( 0.000 8.536 0.000) 8.536 10.314 ( 0.000 0.414 0.000) 0.414 11.053 ( 0.000 1.572 0.000) 1.572 11.208 ( 0.000 -0.369 -0.000) 0.369 11.223 ( 0.000 -0.411 0.000) 0.411 11.445 ( 0.000 -2.611 0.000) 2.611 11.922 ( 0.000 -1.165 0.000) 1.165 12.055 ( 0.000 -2.435 0.000) 2.435 12.193 ( 0.000 -5.957 0.000) 5.957 12.264 ( 0.000 -12.501 0.000) 12.501 12.894 ( 0.000 -1.429 0.000) 1.429 13.064 ( 0.000 1.448 0.000) 1.448 13.076 ( -0.000 -4.134 -0.000) 4.134 13.491 ( 0.000 -9.148 -0.000) 9.148 13.621 ( 0.000 3.952 0.000) 3.952 13.734 ( 0.000 0.569 0.000) 0.569 13.802 ( 0.000 1.328 0.000) 1.328 13.895 ( 0.000 -0.303 0.000) 0.303 14.341 ( 0.000 -0.268 0.000) 0.268 14.621 ( 0.000 -6.371 0.000) 6.371 14.652 ( 0.000 14.928 0.000) 14.928 15.026 ( 0.000 -0.457 0.000) 0.457 15.050 ( 0.000 -15.414 -0.000) 15.414 15.221 ( 0.000 11.127 0.000) 11.127 15.458 ( 0.000 -2.055 0.000) 2.055 15.728 ( 0.000 6.964 -0.000) 6.964 15.853 ( 0.000 -0.803 0.000) 0.803 16.084 ( 0.000 11.735 0.000) 11.735 16.420 ( 0.000 21.303 -0.000) 21.303 16.477 ( 0.000 -3.581 0.000) 3.581 16.635 ( 0.000 -6.652 0.000) 6.652 17.176 ( 0.000 13.981 -0.000) 13.981 17.299 ( 0.000 -1.873 0.000) 1.873 17.459 ( 0.000 -10.710 0.000) 10.710 17.499 ( -0.000 -7.777 -0.000) 7.777 17.755 ( 0.000 8.296 0.000) 8.296 18.091 ( 0.000 9.043 0.000) 9.043 18.353 ( 0.000 -1.190 0.000) 1.190 18.389 ( 0.000 -2.499 -0.000) 2.499 18.549 ( 0.000 -7.386 0.000) 7.386 18.602 ( 0.000 -0.537 -0.000) 0.537 18.720 ( 0.000 -0.643 -0.000) 0.643 18.769 ( -0.000 -6.752 0.000) 6.752 18.934 ( 0.000 0.089 0.000) 0.089 19.156 ( 0.000 -5.232 0.000) 5.232 19.181 ( -0.000 -3.319 -0.000) 3.319 19.234 ( -0.000 -2.702 0.000) 2.702 19.299 ( 0.000 -10.744 0.000) 10.744 19.420 ( 0.000 1.390 -0.000) 1.390 19.597 ( 0.000 -6.463 0.000) 6.463 19.600 ( -0.000 -11.969 -0.000) 11.969 19.729 ( 0.000 2.421 0.000) 2.421 19.779 ( 0.000 -8.682 -0.000) 8.682 20.056 ( 0.000 -8.375 0.000) 8.375 20.196 ( 0.000 -0.700 -0.000) 0.700 20.223 ( 0.000 5.222 0.000) 5.222 20.416 ( 0.000 3.007 0.000) 3.007 20.511 ( 0.000 -11.196 -0.000) 11.196 20.636 ( 0.000 -0.133 0.000) 0.133 20.748 ( 0.000 -5.778 0.000) 5.778 21.488 ( 0.000 17.592 0.000) 17.592 21.543 ( 0.000 3.763 0.000) 3.763 22.316 ( 0.000 -0.268 0.000) 0.268 22.390 ( 0.000 -3.172 0.000) 3.172 22.453 ( 0.000 0.925 0.000) 0.925 22.532 ( 0.000 -2.429 0.000) 2.429 22.910 ( 0.000 0.337 0.000) 0.337 22.959 ( 0.000 2.389 0.000) 2.389 23.061 ( 0.000 -1.370 0.000) 1.370 23.156 ( 0.000 -0.985 0.000) 0.985 23.836 ( 0.000 19.312 0.000) 19.312 24.049 ( 0.000 -0.689 -0.000) 0.689 24.099 ( 0.000 10.228 0.000) 10.228 25.024 ( 0.000 10.377 0.000) 10.377 25.306 ( 0.000 -5.369 0.000) 5.369 25.438 ( 0.000 -5.872 0.000) 5.872 25.904 ( 0.000 6.991 0.000) 6.991 25.911 ( 0.000 4.631 0.000) 4.631 26.408 ( 0.000 -15.975 -0.000) 15.975 26.849 ( 0.000 18.648 0.000) 18.648 26.929 ( 0.000 -8.993 0.000) 8.993 27.180 ( 0.000 11.826 0.000) 11.826 27.413 ( 0.000 8.749 0.000) 8.749 27.844 ( 0.000 -8.708 0.000) 8.708 28.042 ( 0.000 8.673 0.000) 8.673 28.346 ( 0.000 -0.948 0.000) 0.948 28.423 ( 0.000 7.426 -0.000) 7.426 28.549 ( 0.000 -2.722 0.000) 2.722 29.146 ( 0.000 -16.720 0.000) 16.720 29.165 ( 0.000 -4.319 0.000) 4.319 29.282 ( 0.000 -11.896 0.000) 11.896 29.350 ( 0.000 -6.021 0.000) 6.021 29.543 ( 0.000 1.097 0.000) 1.097 29.634 ( 0.000 -0.525 0.000) 0.525 29.977 ( 0.000 12.459 0.000) 12.459 30.397 ( 0.000 15.539 0.000) 15.539 30.677 ( 0.000 -8.020 0.000) 8.020 31.370 ( 0.000 -0.613 0.000) 0.613 31.437 ( 0.000 6.057 -0.000) 6.057 31.770 ( 0.000 2.364 -0.000) 2.364 31.798 ( 0.000 -3.138 0.000) 3.138 31.960 ( 0.000 1.039 0.000) 1.039 32.656 ( 0.000 -3.013 -0.000) 3.013 32.731 ( 0.000 1.263 -0.000) 1.263 32.765 ( 0.000 -3.756 0.000) 3.756 33.258 ( 0.000 -4.080 0.000) 4.080 33.617 ( 0.000 -10.400 0.000) 10.400 33.765 ( 0.000 -1.976 -0.000) 1.976 34.565 ( 0.000 -0.195 0.000) 0.195 34.641 ( 0.000 -2.699 -0.000) 2.699 37.653 ( 0.000 1.167 -0.000) 1.167 37.720 ( 0.000 -1.297 0.000) 1.297 37.886 ( 0.000 4.150 0.000) 4.150 38.145 ( 0.000 -1.338 0.000) 1.338 38.963 ( 0.000 6.186 0.000) 6.186 39.083 ( 0.000 4.709 0.000) 4.709 39.166 ( 0.000 6.192 0.000) 6.192 39.249 ( 0.000 3.083 0.000) 3.083 39.397 ( 0.000 6.376 0.000) 6.376 39.612 ( -0.000 -2.436 0.000) 2.436 39.621 ( 0.000 -5.706 -0.000) 5.706 39.694 ( 0.000 -1.718 0.000) 1.718 39.758 ( 0.000 -1.608 0.000) 1.608 39.904 ( 0.000 -3.448 -0.000) 3.448 39.914 ( -0.000 -3.645 0.000) 3.645 40.033 ( 0.000 -3.411 0.000) 3.411 40.289 ( 0.000 -8.674 0.000) 8.674 40.471 ( 0.000 -1.627 0.000) 1.627 40.823 ( 0.000 17.093 0.000) 17.093 40.882 ( 0.000 -21.411 0.000) 21.411 41.730 ( 0.000 4.337 0.000) 4.337 41.796 ( 0.000 -16.569 0.000) 16.569 42.228 ( 0.000 18.636 0.000) 18.636 42.347 ( 0.000 1.889 0.000) 1.889 42.617 ( 0.000 -2.121 0.000) 2.121 43.068 ( 0.000 -13.144 0.000) 13.144 43.154 ( 0.000 11.189 0.000) 11.189 43.887 ( 0.000 -2.532 0.000) 2.532 44.014 ( -0.000 0.045 0.000) 0.045 44.150 ( 0.000 -7.101 -0.000) 7.101 44.688 ( 0.000 15.580 0.000) 15.580 44.859 ( 0.000 7.138 -0.000) 7.138 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.000 28.709 0.000) 28.709 1.736 ( 0.000 28.577 0.000) 28.577 1.982 ( 0.000 9.926 0.000) 9.926 2.126 ( 0.000 -18.158 0.000) 18.158 2.422 ( 0.000 1.787 0.000) 1.787 2.476 ( 0.000 2.822 0.000) 2.822 2.534 ( 0.000 10.125 0.000) 10.125 2.805 ( 0.000 -5.024 0.000) 5.024 2.828 ( 0.000 8.829 0.000) 8.829 3.007 ( 0.000 -0.729 0.000) 0.729 3.033 ( 0.000 20.510 0.000) 20.510 3.069 ( 0.000 -4.810 0.000) 4.810 3.361 ( 0.000 16.743 0.000) 16.743 3.430 ( 0.000 -0.572 0.000) 0.572 3.456 ( 0.000 9.672 0.000) 9.672 3.801 ( 0.000 0.847 0.000) 0.847 3.912 ( 0.000 1.155 0.000) 1.155 3.993 ( 0.000 0.719 0.000) 0.719 4.113 ( 0.000 1.950 0.000) 1.950 4.133 ( 0.000 -17.012 0.000) 17.012 4.162 ( 0.000 -9.624 0.000) 9.624 4.579 ( 0.000 8.344 0.000) 8.344 4.608 ( 0.000 -1.838 0.000) 1.838 4.638 ( 0.000 3.944 0.000) 3.944 4.800 ( 0.000 -3.814 0.000) 3.814 4.984 ( 0.000 -13.551 0.000) 13.551 5.163 ( 0.000 3.926 0.000) 3.926 5.454 ( 0.000 -5.635 0.000) 5.635 5.486 ( 0.000 3.877 0.000) 3.877 5.637 ( 0.000 3.934 0.000) 3.934 5.774 ( 0.000 -0.599 0.000) 0.599 5.814 ( 0.000 -5.722 0.000) 5.722 5.821 ( 0.000 -4.010 0.000) 4.010 6.066 ( 0.000 1.806 0.000) 1.806 6.295 ( 0.000 -6.797 0.000) 6.797 6.298 ( 0.000 11.367 0.000) 11.367 6.491 ( 0.000 11.901 0.000) 11.901 6.657 ( 0.000 3.195 0.000) 3.195 6.962 ( 0.000 12.370 0.000) 12.370 7.013 ( 0.000 4.770 0.000) 4.770 7.080 ( 0.000 11.131 0.000) 11.131 7.257 ( 0.000 -3.122 0.000) 3.122 7.378 ( 0.000 -6.353 0.000) 6.353 7.566 ( 0.000 1.196 0.000) 1.196 7.575 ( 0.000 -3.520 0.000) 3.520 7.660 ( 0.000 12.915 0.000) 12.915 7.785 ( 0.000 5.703 0.000) 5.703 7.973 ( 0.000 -9.062 0.000) 9.062 8.039 ( 0.000 9.742 0.000) 9.742 8.402 ( 0.000 -7.006 0.000) 7.006 8.521 ( 0.000 -14.153 0.000) 14.153 8.640 ( 0.000 1.930 0.000) 1.930 8.666 ( 0.000 -17.653 0.000) 17.653 8.835 ( 0.000 -15.502 0.000) 15.502 9.055 ( 0.000 6.941 0.000) 6.941 9.104 ( 0.000 3.163 0.000) 3.163 9.335 ( 0.000 14.258 0.000) 14.258 9.427 ( 0.000 0.117 0.000) 0.117 9.435 ( 0.000 0.982 0.000) 0.982 9.582 ( 0.000 4.211 0.000) 4.211 10.044 ( 0.000 -6.833 0.000) 6.833 10.059 ( 0.000 -8.827 0.000) 8.827 10.145 ( 0.000 -5.602 0.000) 5.602 10.214 ( 0.000 -13.449 0.000) 13.449 11.150 ( 0.000 7.120 0.000) 7.120 11.209 ( 0.000 0.627 0.000) 0.627 11.233 ( 0.000 1.781 0.000) 1.781 11.520 ( 0.000 -7.997 0.000) 7.997 11.849 ( 0.000 2.607 0.000) 2.607 11.962 ( 0.000 -5.404 0.000) 5.404 12.120 ( 0.000 -1.640 0.000) 1.640 12.276 ( 0.000 -7.383 0.000) 7.383 12.875 ( 0.000 0.988 0.000) 0.988 12.958 ( 0.000 -3.826 0.000) 3.826 12.979 ( 0.000 1.023 0.000) 1.023 13.122 ( 0.000 -8.213 0.000) 8.213 13.770 ( 0.000 -0.470 0.000) 0.470 13.787 ( 0.000 -1.606 0.000) 1.606 13.956 ( 0.000 3.930 0.000) 3.930 14.050 ( 0.000 -0.207 0.000) 0.207 14.282 ( 0.000 13.683 0.000) 13.683 14.632 ( 0.000 13.356 0.000) 13.356 14.836 ( 0.000 -1.109 0.000) 1.109 15.008 ( 0.000 9.336 0.000) 9.336 15.023 ( 0.000 -17.104 0.000) 17.104 15.104 ( 0.000 9.253 0.000) 9.253 15.682 ( 0.000 -2.590 0.000) 2.590 15.850 ( 0.000 -12.805 0.000) 12.805 15.876 ( 0.000 -2.147 0.000) 2.147 15.951 ( 0.000 0.864 0.000) 0.864 16.422 ( 0.000 -12.315 0.000) 12.315 16.437 ( 0.000 -4.426 0.000) 4.426 16.955 ( 0.000 18.026 0.000) 18.026 17.163 ( 0.000 22.405 0.000) 22.405 17.330 ( 0.000 15.961 0.000) 15.961 17.513 ( 0.000 -4.355 0.000) 4.355 17.773 ( 0.000 6.483 0.000) 6.483 17.816 ( 0.000 7.829 0.000) 7.829 18.092 ( 0.000 -6.985 0.000) 6.985 18.232 ( 0.000 -3.689 0.000) 3.689 18.375 ( 0.000 -1.364 0.000) 1.364 18.471 ( 0.000 -3.839 0.000) 3.839 18.504 ( 0.000 -5.384 0.000) 5.384 18.584 ( 0.000 -6.364 0.000) 6.364 18.725 ( 0.000 -2.180 0.000) 2.180 18.726 ( 0.000 -12.911 0.000) 12.911 19.115 ( 0.000 7.937 0.000) 7.937 19.128 ( 0.000 10.089 0.000) 10.089 19.223 ( 0.000 1.900 0.000) 1.900 19.286 ( 0.000 -0.518 0.000) 0.518 19.453 ( 0.000 -1.015 0.000) 1.015 19.519 ( 0.000 5.548 0.000) 5.548 19.596 ( 0.000 4.574 0.000) 4.574 19.743 ( 0.000 -3.527 0.000) 3.527 19.915 ( 0.000 -11.480 0.000) 11.480 19.947 ( 0.000 -11.666 0.000) 11.666 20.084 ( 0.000 0.525 0.000) 0.525 20.160 ( 0.000 -1.895 0.000) 1.895 20.274 ( 0.000 11.538 0.000) 11.538 20.480 ( 0.000 -4.713 0.000) 4.713 20.532 ( 0.000 -5.992 0.000) 5.992 20.724 ( 0.000 -3.160 0.000) 3.160 21.020 ( 0.000 -1.865 0.000) 1.865 21.552 ( 0.000 -26.088 0.000) 26.088 22.348 ( 0.000 -0.133 0.000) 0.133 22.356 ( 0.000 -1.020 0.000) 1.020 22.388 ( 0.000 -0.740 0.000) 0.740 22.398 ( 0.000 -2.609 0.000) 2.609 22.931 ( 0.000 2.104 0.000) 2.104 22.994 ( 0.000 2.189 0.000) 2.189 23.023 ( 0.000 -2.272 0.000) 2.272 23.093 ( 0.000 -2.423 0.000) 2.423 24.084 ( 0.000 1.017 0.000) 1.017 24.124 ( 0.000 -2.526 0.000) 2.526 24.693 ( 0.000 14.340 0.000) 14.340 24.809 ( 0.000 9.949 0.000) 9.949 25.347 ( 0.000 8.621 0.000) 8.621 25.413 ( 0.000 -6.373 0.000) 6.373 26.010 ( 0.000 6.983 0.000) 6.983 26.210 ( 0.000 5.362 0.000) 5.362 26.467 ( 0.000 0.537 0.000) 0.537 26.473 ( 0.000 11.455 0.000) 11.455 27.111 ( 0.000 23.280 0.000) 23.280 27.242 ( 0.000 13.025 0.000) 13.025 27.399 ( 0.000 4.140 0.000) 4.140 27.753 ( 0.000 -1.060 0.000) 1.060 28.002 ( 0.000 1.299 0.000) 1.299 28.220 ( 0.000 -17.313 0.000) 17.313 28.451 ( 0.000 -8.125 0.000) 8.125 28.564 ( 0.000 -22.638 0.000) 22.638 28.812 ( 0.000 -4.045 0.000) 4.045 29.018 ( 0.000 -7.389 0.000) 7.389 29.169 ( 0.000 -0.887 0.000) 0.887 29.171 ( 0.000 -3.431 0.000) 3.431 29.627 ( 0.000 -0.071 0.000) 0.071 29.637 ( 0.000 -0.705 0.000) 0.705 30.166 ( 0.000 4.924 0.000) 4.924 30.227 ( 0.000 -0.419 0.000) 0.419 30.867 ( 0.000 21.728 0.000) 21.728 31.160 ( 0.000 -0.571 0.000) 0.571 31.330 ( 0.000 -3.960 0.000) 3.960 31.621 ( 0.000 -9.410 0.000) 9.410 32.012 ( 0.000 4.697 0.000) 4.697 32.047 ( 0.000 2.272 0.000) 2.272 32.472 ( 0.000 -0.688 0.000) 0.688 32.624 ( 0.000 -7.218 0.000) 7.218 33.037 ( 0.000 5.950 0.000) 5.950 33.382 ( 0.000 -9.565 0.000) 9.565 33.618 ( 0.000 4.230 0.000) 4.230 33.732 ( 0.000 -1.053 0.000) 1.053 34.569 ( 0.000 1.254 0.000) 1.254 34.612 ( 0.000 -0.869 0.000) 0.869 37.596 ( 0.000 1.805 0.000) 1.805 37.728 ( 0.000 -4.133 0.000) 4.133 37.988 ( 0.000 6.956 0.000) 6.956 38.264 ( 0.000 -6.655 0.000) 6.655 39.096 ( 0.000 4.555 0.000) 4.555 39.130 ( 0.000 9.522 0.000) 9.522 39.215 ( 0.000 -2.382 0.000) 2.382 39.328 ( 0.000 7.723 0.000) 7.723 39.461 ( 0.000 8.221 0.000) 8.221 39.476 ( 0.000 -2.702 0.000) 2.702 39.524 ( 0.000 -5.003 0.000) 5.003 39.603 ( 0.000 0.089 0.000) 0.089 39.646 ( 0.000 3.155 0.000) 3.155 39.701 ( 0.000 3.194 0.000) 3.194 39.931 ( 0.000 -1.773 0.000) 1.773 40.184 ( 0.000 -12.163 0.000) 12.163 40.354 ( 0.000 8.270 0.000) 8.270 40.787 ( 0.000 -8.884 0.000) 8.884 41.012 ( 0.000 -3.839 0.000) 3.839 41.208 ( 0.000 -15.869 0.000) 15.869 41.796 ( 0.000 4.326 0.000) 4.326 41.891 ( 0.000 4.908 0.000) 4.908 42.227 ( 0.000 -13.067 0.000) 13.067 42.288 ( 0.000 -9.357 0.000) 9.357 42.633 ( 0.000 11.809 0.000) 11.809 43.059 ( 0.000 -8.281 0.000) 8.281 43.585 ( 0.000 7.571 0.000) 7.571 43.670 ( 0.000 11.460 0.000) 11.460 43.766 ( 0.000 -0.286 0.000) 0.286 43.911 ( 0.000 0.716 0.000) 0.716 44.652 ( 0.000 1.594 0.000) 1.594 44.742 ( 0.000 -2.577 0.000) 2.577 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 6.922 24.236 -2.007) 25.285 1.791 ( 1.977 12.294 5.874) 13.768 2.022 ( -0.301 1.307 -2.576) 2.905 2.051 ( -5.206 7.912 -2.629) 9.829 2.273 ( -3.108 -1.178 -11.266) 11.746 2.402 ( -2.924 1.177 1.973) 3.719 2.604 ( -1.165 -3.479 -0.568) 3.712 2.692 ( -9.914 -2.628 -2.853) 10.645 2.871 ( -2.637 -2.970 2.214) 4.547 2.979 ( -6.504 -1.393 2.767) 7.204 3.092 ( 2.434 17.662 11.339) 21.129 3.119 ( 6.485 4.010 5.913) 9.649 3.360 ( 1.522 5.391 -1.694) 5.853 3.445 ( -4.285 2.517 6.451) 8.143 3.523 ( 5.607 8.738 3.463) 10.945 3.796 ( 3.926 0.444 -7.029) 8.063 3.876 ( -1.243 -4.109 -2.379) 4.908 3.982 ( 3.495 -0.762 -4.358) 5.638 4.136 ( 2.804 -2.728 9.580) 10.348 4.159 ( 3.203 6.590 3.893) 8.297 4.286 ( 1.534 -4.176 10.575) 11.473 4.533 ( 1.137 9.401 -5.393) 10.897 4.682 ( 6.368 -0.412 1.259) 6.504 4.723 ( 3.707 -1.558 -0.134) 4.023 4.855 ( 3.600 0.206 1.963) 4.106 4.952 ( -0.789 -10.298 -1.001) 10.377 5.157 ( -0.909 2.554 3.712) 4.597 5.401 ( -5.245 -2.709 -1.442) 6.077 5.418 ( -3.078 4.236 -6.303) 8.194 5.647 ( -1.156 3.118 1.624) 3.700 5.744 ( -0.576 -3.770 -2.402) 4.507 5.805 ( -0.810 -0.550 -0.283) 1.020 5.818 ( 0.347 -3.557 -2.790) 4.534 6.007 ( -8.330 -0.216 -1.100) 8.405 6.147 ( -5.349 6.812 -1.878) 8.862 6.361 ( 2.744 5.176 -3.139) 6.646 6.551 ( -3.966 5.662 -0.466) 6.929 6.632 ( 3.888 2.418 -1.157) 4.722 6.856 ( -7.065 8.306 -1.344) 10.987 7.005 ( 1.382 10.499 -0.444) 10.599 7.075 ( -3.330 6.763 1.049) 7.611 7.190 ( -6.842 -1.410 1.326) 7.111 7.313 ( -7.433 -3.908 -8.567) 11.997 7.485 ( -3.246 6.164 -5.959) 9.167 7.501 ( -2.176 3.071 1.811) 4.177 7.555 ( -5.897 3.140 -7.262) 9.868 7.833 ( 3.408 0.892 0.146) 3.526 7.966 ( -8.645 -3.259 -8.104) 12.289 8.066 ( 5.619 -8.169 0.591) 9.932 8.313 ( 4.131 -2.234 0.875) 4.777 8.570 ( -4.276 -15.567 -1.007) 16.175 8.712 ( -0.544 0.500 1.494) 1.666 8.741 ( 3.932 -16.602 6.570) 18.282 8.875 ( 2.815 -4.469 10.233) 11.515 9.002 ( 2.262 5.398 -0.929) 5.926 9.191 ( 2.399 5.255 6.396) 8.619 9.324 ( -1.946 2.098 2.335) 3.694 9.431 ( 3.661 -0.092 -2.524) 4.448 9.527 ( 5.318 2.471 1.006) 5.950 9.656 ( 6.138 1.831 -0.395) 6.417 9.993 ( -3.333 -3.938 0.911) 5.238 10.087 ( 3.602 -3.199 2.422) 5.392 10.151 ( -0.125 -2.052 -1.698) 2.666 10.308 ( 4.061 -9.343 7.740) 12.794 11.129 ( 0.078 2.331 -1.891) 3.003 11.187 ( -2.472 4.146 -1.950) 5.206 11.233 ( 1.239 -0.939 0.009) 1.555 11.475 ( -4.004 -4.233 -1.861) 6.117 11.866 ( 1.144 0.657 0.716) 1.501 11.964 ( 1.528 -7.470 -2.957) 8.178 12.084 ( -3.310 -2.203 -0.827) 4.061 12.231 ( -3.175 -7.006 -3.387) 8.405 12.907 ( 3.112 -0.436 0.971) 3.289 12.918 ( -2.113 -1.021 0.488) 2.397 13.032 ( 2.877 0.062 1.467) 3.230 13.169 ( 3.019 -7.973 3.183) 9.100 13.742 ( -2.816 0.239 0.350) 2.848 13.765 ( -2.078 -0.870 0.589) 2.329 13.939 ( -1.344 4.013 -1.890) 4.635 14.018 ( -2.123 0.265 -3.038) 3.715 14.318 ( 3.489 11.365 0.710) 11.910 14.676 ( 1.911 9.635 0.299) 9.828 14.787 ( -2.537 5.932 -3.919) 7.549 14.909 ( -2.039 1.623 -0.451) 2.645 15.012 ( -2.013 -13.732 0.160) 13.879 15.249 ( 5.938 3.500 6.563) 9.517 15.547 ( -7.466 -1.928 -5.741) 9.614 15.799 ( 0.032 1.120 -8.169) 8.246 15.930 ( 2.441 -5.144 5.093) 7.639 16.059 ( 5.003 1.797 6.612) 8.484 16.438 ( 3.823 -5.468 -0.073) 6.672 16.591 ( 8.767 -9.713 7.419) 15.041 16.902 ( -2.359 13.034 -2.957) 13.572 17.059 ( -6.193 20.998 -7.229) 23.055 17.237 ( -5.101 15.983 -7.625) 18.428 17.437 ( -2.275 -11.085 -7.031) 13.322 17.867 ( 0.676 4.776 -2.817) 5.586 17.896 ( 6.929 11.217 7.513) 15.175 18.103 ( -0.244 -5.703 3.194) 6.541 18.214 ( -1.340 -0.851 1.591) 2.248 18.319 ( -3.527 0.546 -2.264) 4.226 18.445 ( -1.152 -8.998 1.210) 9.152 18.549 ( 1.728 -6.068 0.416) 6.323 18.560 ( 0.361 -5.506 -2.334) 5.991 18.706 ( -1.987 -10.279 0.876) 10.506 18.744 ( 1.509 -5.102 -0.619) 5.356 19.073 ( -1.162 3.928 -2.209) 4.654 19.079 ( -4.196 5.549 -1.841) 7.196 19.235 ( -0.717 -2.537 -0.597) 2.703 19.299 ( 0.758 -0.908 0.067) 1.185 19.429 ( -2.826 0.687 2.021) 3.541 19.556 ( 0.148 6.624 -0.017) 6.625 19.638 ( 2.519 2.613 1.782) 4.044 19.655 ( -2.311 0.213 -2.411) 3.347 19.908 ( -3.486 -7.048 -0.497) 7.879 19.949 ( -0.325 -9.773 -3.052) 10.244 20.088 ( -0.314 -2.409 2.875) 3.764 20.199 ( 5.731 -3.372 2.303) 7.037 20.281 ( 0.239 4.888 2.291) 5.404 20.401 ( -2.671 -4.543 -3.894) 6.552 20.596 ( 3.918 -2.563 0.530) 4.712 20.692 ( -0.369 -1.430 -5.319) 5.520 21.203 ( 14.295 2.114 6.203) 15.726 21.617 ( 1.919 -18.844 8.161) 20.625 22.343 ( -0.870 -0.119 0.491) 1.006 22.361 ( -0.210 -1.434 0.321) 1.485 22.407 ( 1.514 -0.927 1.425) 2.277 22.416 ( 1.561 -2.013 0.961) 2.722 22.931 ( 0.058 2.021 -0.082) 2.024 23.000 ( 0.533 2.248 0.060) 2.311 23.024 ( 0.018 -2.288 0.068) 2.289 23.101 ( 0.803 -2.452 0.002) 2.580 24.073 ( 0.462 1.192 -3.308) 3.546 24.109 ( -1.605 -1.621 0.316) 2.303 24.561 ( -6.389 16.161 -6.238) 18.464 24.938 ( 5.039 3.340 7.103) 9.327 25.315 ( -1.105 1.962 -1.755) 2.855 25.419 ( -3.464 7.332 9.458) 12.458 26.015 ( -1.428 6.441 2.784) 7.161 26.115 ( -2.321 5.469 -9.130) 10.893 26.356 ( -1.414 3.325 -10.819) 11.406 26.619 ( 5.003 -4.702 3.279) 7.608 27.173 ( 4.799 25.355 3.213) 26.004 27.276 ( 3.402 11.300 -0.850) 11.831 27.446 ( 4.858 7.327 2.574) 9.160 27.773 ( 0.290 -5.172 -0.474) 5.202 28.049 ( 3.376 4.034 3.453) 6.293 28.225 ( 0.480 -15.415 0.745) 15.440 28.448 ( 0.392 -8.244 -0.573) 8.273 28.603 ( 0.914 -20.769 4.539) 21.279 28.856 ( 4.489 -4.916 0.424) 6.671 28.997 ( -4.685 0.439 -7.670) 8.999 29.036 ( 0.180 -3.428 -1.815) 3.883 29.247 ( 0.495 -6.453 2.723) 7.022 29.605 ( -2.650 0.672 1.772) 3.258 29.631 ( -0.776 -0.833 -0.158) 1.149 30.229 ( 1.397 2.263 0.095) 2.661 30.250 ( 3.720 0.139 5.609) 6.732 30.838 ( 1.820 19.791 -8.428) 21.587 31.248 ( 3.373 -2.557 4.515) 6.189 31.357 ( 2.089 -0.688 7.231) 7.558 31.621 ( 0.652 -8.410 -1.739) 8.613 31.979 ( -2.447 4.281 -1.402) 5.126 32.059 ( -1.583 0.849 3.947) 4.336 32.478 ( 1.618 -0.259 0.509) 1.716 32.674 ( 2.386 -7.780 3.265) 8.769 32.998 ( -2.655 4.379 -2.975) 5.923 33.241 ( -9.967 -7.437 -9.092) 15.405 33.593 ( -1.320 4.359 -1.256) 4.725 33.726 ( -0.834 -2.037 0.287) 2.220 34.570 ( 0.178 0.385 -0.950) 1.040 34.604 ( -0.102 -1.432 -1.185) 1.861 37.618 ( 1.775 1.406 1.099) 2.517 37.716 ( -0.542 -2.789 -1.411) 3.172 37.976 ( -0.941 6.811 -0.127) 6.877 38.228 ( -2.830 -5.875 -2.107) 6.853 39.116 ( -0.106 7.180 0.553) 7.202 39.145 ( 2.213 7.037 2.349) 7.742 39.242 ( 2.088 -0.957 1.228) 2.604 39.315 ( -1.405 5.625 0.119) 5.799 39.460 ( -0.286 5.414 -1.048) 5.521 39.499 ( 1.942 -4.731 -1.000) 5.211 39.519 ( 0.930 -1.372 0.735) 1.813 39.620 ( -0.483 5.957 -1.272) 6.110 39.669 ( 4.612 -1.190 4.415) 6.494 39.732 ( 3.263 0.245 -1.714) 3.694 39.923 ( -0.539 -1.796 -0.807) 2.041 40.162 ( -0.105 -12.781 -5.051) 13.743 40.343 ( -2.329 6.557 -8.148) 10.715 40.496 ( -17.047 2.723 -3.517) 17.617 40.918 ( -7.316 -9.287 -8.067) 14.313 41.161 ( -4.035 -16.164 -2.863) 16.905 41.802 ( -3.794 6.201 1.657) 7.456 41.871 ( -2.104 4.079 3.054) 5.513 42.131 ( -0.713 -2.651 -0.613) 2.812 42.420 ( 0.046 -13.614 8.487) 16.043 42.631 ( -0.275 10.449 1.946) 10.632 42.992 ( -3.418 -8.489 -6.606) 11.286 43.438 ( -8.867 13.821 5.517) 17.323 43.764 ( -0.324 -4.183 4.421) 6.095 43.875 ( 8.953 3.077 1.266) 9.552 43.972 ( 6.463 1.073 -1.956) 6.837 44.708 ( 3.490 3.985 6.256) 8.197 44.837 ( 2.956 -1.042 10.895) 11.337 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 13.491 10.071 -0.566) 16.845 1.739 ( -10.089 -10.667 -0.468) 14.690 1.939 ( -1.982 9.768 -0.188) 9.969 2.008 ( 1.668 7.709 -9.520) 12.363 2.187 ( -2.799 -4.354 0.698) 5.223 2.374 ( -4.273 0.125 5.397) 6.885 2.461 ( -7.862 -4.364 -8.186) 12.160 2.559 ( -3.371 -2.356 -0.946) 4.220 2.853 ( -5.721 -8.736 9.407) 14.055 2.903 ( -0.441 -3.901 -3.024) 4.955 3.172 ( -0.768 2.923 8.038) 8.588 3.233 ( 1.828 4.440 -0.641) 4.844 3.370 ( -3.055 -5.151 -2.102) 6.347 3.392 ( -2.395 -1.871 0.262) 3.051 3.622 ( 3.170 2.302 -0.989) 4.040 3.867 ( 10.363 2.673 6.854) 12.708 4.001 ( 2.831 -0.710 0.777) 3.020 4.074 ( 10.831 13.773 6.768) 18.783 4.257 ( 1.677 -5.556 9.681) 11.287 4.331 ( 8.864 13.996 7.757) 18.292 4.371 ( -1.751 2.076 7.414) 7.896 4.493 ( 2.745 9.575 -9.216) 13.570 4.735 ( 1.344 -1.465 -1.823) 2.697 4.803 ( 3.065 3.890 2.886) 5.732 4.887 ( 1.768 0.557 0.517) 1.924 5.041 ( 7.198 -4.175 3.026) 8.855 5.186 ( -1.612 8.363 3.245) 9.114 5.276 ( -6.804 0.195 0.831) 6.858 5.338 ( 0.332 -0.299 -5.386) 5.405 5.602 ( -7.660 2.654 0.177) 8.109 5.666 ( -2.646 3.432 -5.996) 7.398 5.715 ( -6.398 4.708 -4.933) 9.351 5.803 ( 0.574 0.706 -2.711) 2.860 5.907 ( -1.973 -4.141 1.475) 4.819 6.080 ( -2.288 -1.977 -1.349) 3.311 6.283 ( -2.615 -2.353 -15.236) 15.636 6.425 ( -4.672 13.794 5.908) 15.716 6.682 ( 0.792 -0.046 -4.420) 4.491 6.806 ( -0.031 6.905 -2.322) 7.285 6.965 ( -3.880 2.374 -6.509) 7.941 7.039 ( -2.228 7.800 5.883) 10.020 7.122 ( -3.593 -4.928 5.328) 8.098 7.164 ( -1.987 16.347 -2.427) 16.645 7.308 ( -8.904 2.254 -7.765) 12.027 7.377 ( -5.232 0.319 -0.697) 5.288 7.520 ( -1.030 -8.560 -5.861) 10.425 7.729 ( -2.283 -10.588 -1.203) 10.898 7.955 ( 2.838 6.207 4.397) 8.119 8.174 ( 5.753 -5.531 0.310) 7.986 8.342 ( -3.038 -7.698 -3.926) 9.160 8.539 ( 0.122 -14.497 1.719) 14.599 8.668 ( -6.036 -3.598 2.264) 7.383 8.708 ( -0.522 -3.331 -2.783) 4.372 9.054 ( 5.616 0.888 3.718) 6.794 9.118 ( 4.130 -0.796 8.069) 9.099 9.301 ( 3.313 0.817 4.357) 5.534 9.333 ( 2.017 0.965 2.998) 3.740 9.471 ( 2.696 -0.225 -3.868) 4.721 9.569 ( -0.725 -3.893 1.537) 4.248 9.691 ( -1.044 -2.813 -2.372) 3.825 10.023 ( 3.830 7.739 0.605) 8.656 10.119 ( 0.149 8.806 1.728) 8.975 10.222 ( 6.692 -1.788 2.995) 7.546 10.385 ( -1.510 -0.330 3.115) 3.478 11.108 ( -1.972 1.202 -0.551) 2.374 11.177 ( 3.582 -0.007 -0.307) 3.595 11.268 ( 1.532 -2.113 0.079) 2.612 11.371 ( -4.113 0.015 -2.762) 4.954 11.884 ( 0.004 -1.646 0.441) 1.705 11.958 ( 0.606 -9.940 -1.934) 10.144 12.023 ( -2.626 -5.169 -0.457) 5.816 12.131 ( -3.525 -7.002 -5.000) 9.298 12.903 ( -0.468 1.231 0.733) 1.507 12.982 ( 3.773 -1.673 1.063) 4.262 13.083 ( 1.060 1.424 2.056) 2.717 13.250 ( 2.743 -8.826 2.815) 9.661 13.709 ( -1.676 2.436 2.278) 3.732 13.748 ( -0.497 0.704 0.618) 1.061 13.885 ( -2.145 3.377 -2.579) 4.760 13.940 ( -2.865 0.181 -3.926) 4.864 14.381 ( 2.819 8.223 -0.588) 8.713 14.590 ( -4.627 1.507 -2.283) 5.375 14.829 ( -1.124 -10.921 -3.964) 11.672 14.885 ( 4.184 9.532 2.265) 10.653 14.979 ( -2.018 -1.483 2.505) 3.542 15.313 ( -2.711 -9.925 -3.083) 10.741 15.490 ( 3.523 11.704 5.420) 13.371 15.752 ( 0.444 5.455 -2.877) 6.183 16.002 ( 1.813 3.898 0.311) 4.310 16.167 ( 2.597 -0.083 2.589) 3.668 16.499 ( 1.992 -1.244 1.643) 2.866 16.708 ( 1.247 16.863 -4.660) 17.539 16.900 ( -2.669 3.060 -7.289) 8.344 16.957 ( 4.573 -4.321 6.532) 9.070 17.129 ( -1.029 8.365 4.477) 9.543 17.357 ( -1.047 -10.423 -5.151) 11.674 17.683 ( -10.091 2.723 -14.102) 17.554 18.010 ( -2.022 11.814 0.750) 12.009 18.137 ( 4.693 -2.322 5.546) 7.627 18.289 ( 0.345 -0.329 0.881) 1.001 18.301 ( 4.583 -0.227 3.412) 5.719 18.435 ( -0.060 -18.014 -0.094) 18.014 18.504 ( -0.821 -5.415 -4.284) 6.954 18.606 ( 0.701 -5.527 1.807) 5.857 18.648 ( -4.332 -8.832 -0.863) 9.875 18.813 ( 5.100 -4.235 3.609) 7.548 18.964 ( -4.428 -1.122 -3.706) 5.883 19.080 ( 1.895 -1.187 0.108) 2.239 19.195 ( -2.017 -2.567 -1.546) 3.612 19.274 ( -3.886 -3.912 -2.723) 6.150 19.398 ( -1.118 1.749 0.838) 2.239 19.517 ( -1.910 5.139 0.782) 5.538 19.575 ( -4.357 -7.086 -4.202) 9.320 19.718 ( 2.404 5.926 4.228) 7.666 19.853 ( -0.344 2.370 -3.435) 4.187 19.899 ( -2.853 -11.580 -1.798) 12.062 20.140 ( 2.274 -1.692 2.813) 3.994 20.284 ( -1.054 0.341 1.896) 2.196 20.306 ( 4.032 0.928 3.430) 5.374 20.456 ( 6.091 -6.875 5.444) 10.677 20.585 ( -2.313 1.186 -5.132) 5.753 20.670 ( 2.019 -2.541 -5.006) 5.966 21.498 ( 12.803 6.874 4.173) 15.119 21.702 ( -0.172 -3.829 6.286) 7.362 22.328 ( -1.572 0.106 0.856) 1.793 22.353 ( -0.560 -1.568 -0.202) 1.678 22.448 ( 1.425 -0.183 1.238) 1.896 22.457 ( 1.829 -1.994 1.094) 2.918 22.931 ( -0.000 1.842 -0.090) 1.844 23.008 ( 0.408 2.665 -0.044) 2.696 23.024 ( -0.091 -2.337 0.070) 2.339 23.115 ( 0.751 -2.453 -0.059) 2.566 24.051 ( 1.308 1.253 -4.621) 4.964 24.084 ( -2.372 0.522 2.099) 3.210 24.421 ( -4.541 17.993 -3.430) 18.872 25.039 ( 3.255 -10.235 0.156) 10.742 25.334 ( -0.370 10.343 7.796) 12.958 25.448 ( -2.991 11.186 8.906) 14.608 25.995 ( -1.572 4.154 0.073) 4.442 26.040 ( 0.097 4.764 -3.407) 5.858 26.224 ( -1.170 -4.091 -13.990) 14.623 26.677 ( 0.869 -13.604 0.246) 13.634 27.290 ( 3.764 23.702 3.104) 24.199 27.324 ( 4.255 12.849 -1.200) 13.589 27.586 ( 6.588 12.419 3.390) 14.462 27.725 ( -3.398 -6.353 -2.411) 7.597 28.152 ( 4.622 6.116 3.343) 8.363 28.244 ( -0.021 -9.570 1.781) 9.734 28.454 ( 0.348 -7.368 0.016) 7.377 28.620 ( -2.917 -11.340 1.132) 11.763 28.847 ( -1.414 0.812 -5.576) 5.810 28.974 ( 5.002 -8.811 3.073) 10.588 29.054 ( 1.590 -6.059 -0.677) 6.300 29.239 ( -1.917 -8.842 -1.626) 9.193 29.578 ( -1.789 1.221 1.107) 2.433 29.621 ( -0.174 -0.905 -0.123) 0.930 30.208 ( -2.508 6.097 0.691) 6.629 30.403 ( 6.212 -4.634 5.641) 9.585 30.788 ( 0.151 17.513 -7.336) 18.988 31.290 ( -1.296 -5.324 4.916) 7.362 31.514 ( 5.389 2.319 5.323) 7.922 31.625 ( 2.918 -3.794 -1.610) 5.051 31.921 ( -2.112 5.315 -1.310) 5.867 32.045 ( -3.504 0.746 1.891) 4.051 32.535 ( 2.568 -2.321 2.415) 4.221 32.713 ( -0.259 -3.400 1.503) 3.727 32.881 ( -7.347 1.880 -6.312) 9.867 33.041 ( -2.327 -12.470 -4.371) 13.417 33.563 ( -0.981 3.230 -0.890) 3.491 33.715 ( -0.530 -3.231 0.097) 3.276 34.559 ( -0.380 -0.471 -0.411) 0.732 34.592 ( 0.076 -2.481 -1.652) 2.981 37.663 ( 1.619 0.515 1.440) 2.227 37.694 ( -0.033 -0.589 -1.448) 1.564 37.968 ( -0.082 5.452 0.481) 5.473 38.152 ( -3.240 -3.855 -2.210) 5.499 39.115 ( -0.093 8.733 0.274) 8.738 39.202 ( 1.514 7.573 1.299) 7.832 39.282 ( 0.594 3.437 0.068) 3.489 39.299 ( -0.721 2.807 2.450) 3.795 39.455 ( 1.766 -1.955 -0.739) 2.736 39.489 ( -0.447 -5.027 -2.090) 5.462 39.588 ( 4.711 0.774 -1.092) 4.897 39.618 ( 1.637 7.471 0.657) 7.677 39.760 ( 1.969 -4.124 -2.547) 5.232 39.820 ( 5.043 -3.263 7.514) 9.620 39.892 ( -1.961 -1.352 -2.484) 3.442 40.043 ( -13.802 4.514 -2.996) 14.828 40.112 ( 1.709 -11.660 -7.405) 13.918 40.413 ( -2.792 -3.493 -2.376) 5.064 40.725 ( -5.957 -4.230 -1.989) 7.572 41.051 ( -4.539 -9.626 -3.945) 11.350 41.732 ( -6.679 9.787 5.716) 13.155 41.845 ( -0.487 4.497 -3.402) 5.660 42.181 ( 5.253 -4.840 -1.234) 7.249 42.430 ( -5.233 -7.350 8.108) 12.131 42.656 ( 0.522 5.835 1.728) 6.108 42.870 ( -3.092 -9.247 -6.707) 11.834 43.393 ( -2.732 13.402 4.499) 14.398 43.785 ( -1.544 -6.953 4.248) 8.293 43.989 ( 4.064 1.296 0.167) 4.269 44.049 ( 4.327 -0.922 -2.630) 5.147 44.847 ( 4.175 7.541 7.751) 11.592 44.955 ( 1.055 3.172 6.577) 7.378 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 0.000 -0.322 0.000) 0.322 1.610 ( 0.000 -9.382 -0.000) 9.382 1.896 ( -0.000 0.832 0.000) 0.832 1.983 ( 0.000 3.170 -0.000) 3.170 2.164 ( 0.000 -3.443 -0.000) 3.443 2.336 ( 0.000 3.836 0.000) 3.836 2.363 ( 0.000 -5.664 0.000) 5.664 2.524 ( 0.000 -1.069 0.000) 1.069 2.869 ( -0.000 -3.391 0.001) 3.391 2.869 ( 0.000 -10.684 -0.001) 10.684 3.215 ( 0.000 2.029 -0.000) 2.029 3.232 ( 0.000 -7.130 0.000) 7.130 3.327 ( -0.000 -2.347 0.000) 2.347 3.343 ( 0.000 -3.294 -0.000) 3.294 3.659 ( 0.000 6.347 0.000) 6.347 4.011 ( 0.000 7.152 -0.000) 7.152 4.079 ( 0.000 -3.130 -0.000) 3.130 4.188 ( 0.000 6.698 0.000) 6.698 4.306 ( 0.000 1.229 -0.000) 1.229 4.327 ( 0.000 -1.200 0.000) 1.200 4.468 ( -0.000 7.378 -0.000) 7.378 4.570 ( 0.000 13.136 0.000) 13.136 4.726 ( 0.000 -1.429 0.000) 1.429 4.879 ( 0.000 0.931 0.000) 0.931 4.886 ( -0.000 12.032 -0.000) 12.032 5.079 ( 0.000 -3.089 0.000) 3.089 5.234 ( 0.000 3.337 -0.000) 3.337 5.282 ( 0.000 3.914 0.000) 3.914 5.338 ( -0.000 6.775 -0.000) 6.775 5.380 ( 0.000 6.274 0.000) 6.274 5.571 ( 0.000 12.232 -0.000) 12.232 5.690 ( 0.000 2.728 -0.000) 2.728 5.754 ( 0.000 5.639 0.000) 5.639 5.934 ( 0.000 -8.309 0.000) 8.309 6.082 ( 0.000 -10.444 -0.000) 10.444 6.123 ( -0.000 -10.935 0.000) 10.935 6.520 ( -0.000 18.648 -0.000) 18.648 6.575 ( 0.000 3.420 0.000) 3.420 6.743 ( 0.000 3.234 0.000) 3.234 6.937 ( 0.000 -0.211 0.000) 0.211 7.034 ( 0.000 5.929 0.000) 5.929 7.110 ( 0.000 12.933 0.000) 12.933 7.150 ( 0.000 11.971 0.000) 11.971 7.218 ( 0.000 -3.508 0.000) 3.508 7.344 ( 0.000 -2.657 -0.000) 2.657 7.433 ( 0.000 -14.959 0.000) 14.959 7.750 ( 0.000 -8.733 0.000) 8.733 8.025 ( 0.000 -0.920 -0.000) 0.920 8.172 ( 0.000 0.785 0.000) 0.785 8.344 ( 0.000 1.008 0.000) 1.008 8.463 ( 0.000 -30.156 0.000) 30.156 8.661 ( 0.000 19.100 -0.000) 19.100 8.707 ( 0.000 -15.865 0.000) 15.865 9.124 ( 0.000 3.272 -0.000) 3.272 9.181 ( 0.000 -6.749 -0.000) 6.749 9.354 ( 0.000 2.992 0.000) 2.992 9.395 ( 0.000 1.724 -0.000) 1.724 9.459 ( 0.000 1.808 0.000) 1.808 9.565 ( 0.000 -8.524 -0.000) 8.524 9.647 ( 0.000 -6.063 0.000) 6.063 10.067 ( 0.000 12.421 0.000) 12.421 10.150 ( 0.000 12.207 0.000) 12.207 10.308 ( 0.000 -1.286 0.000) 1.286 10.362 ( 0.000 3.932 0.000) 3.932 11.109 ( 0.000 3.972 -0.000) 3.972 11.212 ( 0.000 1.508 0.000) 1.508 11.220 ( 0.000 -0.179 0.000) 0.179 11.368 ( 0.000 -5.061 -0.000) 5.061 11.879 ( 0.000 -4.138 0.000) 4.138 11.972 ( 0.000 -14.395 0.000) 14.395 11.983 ( 0.000 -3.235 0.000) 3.235 12.069 ( 0.000 -6.593 -0.000) 6.593 12.904 ( 0.000 2.661 0.000) 2.661 13.024 ( 0.000 -1.900 -0.000) 1.900 13.100 ( 0.000 2.282 0.000) 2.282 13.289 ( 0.000 -9.584 0.000) 9.584 13.717 ( 0.000 4.993 -0.000) 4.993 13.747 ( 0.000 0.900 0.000) 0.900 13.850 ( 0.000 2.575 -0.000) 2.575 13.887 ( 0.000 -0.506 -0.000) 0.506 14.396 ( 0.000 6.452 0.000) 6.452 14.548 ( 0.000 -1.484 0.000) 1.484 14.769 ( 0.000 -9.437 -0.000) 9.437 14.927 ( 0.000 -10.511 0.000) 10.511 15.018 ( 0.000 16.469 0.000) 16.469 15.247 ( 0.000 -2.869 0.000) 2.869 15.570 ( 0.000 9.599 0.000) 9.599 15.757 ( 0.000 0.107 -0.000) 0.107 15.999 ( 0.000 14.520 0.000) 14.520 16.199 ( 0.000 -3.130 0.000) 3.130 16.534 ( 0.000 -0.464 0.000) 0.464 16.683 ( 0.000 22.258 0.000) 22.258 16.798 ( 0.000 8.742 -0.000) 8.742 17.069 ( 0.000 -18.132 0.000) 18.132 17.268 ( 0.000 -2.329 0.000) 2.329 17.288 ( -0.000 -4.875 -0.000) 4.875 17.448 ( 0.000 5.840 0.000) 5.840 17.984 ( 0.000 11.361 -0.000) 11.361 18.216 ( 0.000 1.524 0.000) 1.524 18.295 ( 0.000 -16.310 -0.000) 16.310 18.367 ( 0.000 1.907 -0.000) 1.907 18.442 ( 0.000 -21.580 -0.000) 21.580 18.473 ( 0.000 -3.405 0.000) 3.405 18.593 ( 0.000 -0.051 0.000) 0.051 18.617 ( 0.000 -5.636 0.000) 5.636 18.864 ( 0.000 -0.211 0.000) 0.211 18.953 ( 0.000 -7.354 -0.000) 7.354 19.107 ( 0.000 -5.618 0.000) 5.618 19.168 ( -0.000 -2.436 -0.000) 2.436 19.173 ( 0.000 -1.929 0.000) 1.929 19.417 ( 0.000 -2.156 0.000) 2.156 19.489 ( -0.000 -4.490 -0.000) 4.490 19.512 ( 0.000 3.661 -0.000) 3.661 19.788 ( 0.000 3.640 0.000) 3.640 19.804 ( -0.000 6.257 -0.000) 6.257 19.863 ( 0.000 -11.359 0.000) 11.359 20.170 ( 0.000 -0.998 -0.000) 0.998 20.284 ( 0.000 0.178 0.000) 0.178 20.414 ( 0.000 -1.117 0.000) 1.117 20.476 ( 0.000 2.584 -0.000) 2.584 20.603 ( 0.000 -7.708 0.000) 7.708 20.623 ( -0.000 -1.445 -0.000) 1.445 21.643 ( 0.000 6.118 0.000) 6.118 21.718 ( 0.000 6.309 0.000) 6.309 22.314 ( 0.000 0.191 0.000) 0.191 22.346 ( 0.000 -1.546 -0.000) 1.546 22.467 ( 0.000 0.336 0.000) 0.336 22.480 ( 0.000 -2.011 0.000) 2.011 22.930 ( 0.000 1.716 0.000) 1.716 23.012 ( 0.000 2.983 0.000) 2.983 23.023 ( 0.000 -2.465 0.000) 2.465 23.121 ( 0.000 -2.411 -0.000) 2.411 24.042 ( 0.000 0.196 -0.000) 0.196 24.072 ( 0.000 2.694 0.000) 2.694 24.365 ( 0.000 18.645 0.000) 18.645 25.067 ( 0.000 -16.290 0.000) 16.290 25.376 ( 0.000 21.322 0.000) 21.322 25.460 ( 0.000 5.150 -0.000) 5.150 26.006 ( 0.000 3.151 0.000) 3.151 26.026 ( 0.000 7.358 0.000) 7.358 26.121 ( 0.000 -10.395 -0.000) 10.395 26.681 ( 0.000 -16.811 0.000) 16.811 27.321 ( 0.000 10.809 0.000) 10.809 27.384 ( 0.000 28.312 -0.000) 28.312 27.660 ( -0.000 -10.168 0.000) 10.168 27.677 ( 0.000 17.215 0.000) 17.215 28.232 ( -0.000 -10.102 0.000) 10.102 28.238 ( 0.000 10.631 -0.000) 10.631 28.457 ( 0.000 -6.875 0.000) 6.875 28.575 ( 0.000 -2.239 0.000) 2.239 28.821 ( 0.000 -8.657 0.000) 8.657 29.058 ( 0.000 -6.368 0.000) 6.368 29.065 ( 0.000 -8.598 -0.000) 8.598 29.190 ( 0.000 -10.208 -0.000) 10.208 29.567 ( 0.000 1.468 0.000) 1.468 29.620 ( 0.000 -1.033 0.000) 1.033 30.185 ( 0.000 8.742 -0.000) 8.742 30.500 ( 0.000 -9.600 0.000) 9.600 30.741 ( 0.000 19.140 0.000) 19.140 31.301 ( 0.000 -7.378 -0.000) 7.378 31.565 ( 0.000 5.687 0.000) 5.687 31.679 ( 0.000 -4.584 0.000) 4.584 31.906 ( 0.000 7.506 -0.000) 7.506 31.998 ( 0.000 2.935 0.000) 2.935 32.572 ( 0.000 -3.482 0.000) 3.482 32.737 ( -0.000 -1.783 -0.000) 1.783 32.742 ( 0.000 1.332 0.000) 1.332 33.022 ( 0.000 -17.082 0.000) 17.082 33.550 ( 0.000 2.560 0.000) 2.560 33.710 ( 0.000 -3.678 -0.000) 3.678 34.555 ( 0.000 -0.785 0.000) 0.785 34.583 ( 0.000 -2.839 -0.000) 2.839 37.675 ( 0.000 0.950 -0.000) 0.950 37.700 ( 0.000 -0.790 0.000) 0.790 37.973 ( 0.000 4.513 0.000) 4.513 38.108 ( 0.000 -2.505 0.000) 2.505 39.117 ( 0.000 9.144 0.000) 9.144 39.215 ( 0.000 8.543 0.000) 8.543 39.288 ( 0.000 1.267 0.000) 1.267 39.303 ( -0.000 6.745 0.000) 6.745 39.470 ( 0.000 -3.155 -0.000) 3.155 39.487 ( 0.000 -6.714 0.000) 6.714 39.600 ( 0.000 0.555 0.000) 0.555 39.702 ( -0.000 7.065 0.000) 7.065 39.744 ( 0.000 -3.192 0.000) 3.192 39.811 ( 0.000 -3.038 0.000) 3.038 39.888 ( 0.000 2.160 -0.000) 2.160 39.955 ( 0.000 -4.126 0.000) 4.126 40.122 ( 0.000 -9.247 0.000) 9.247 40.323 ( 0.000 -13.821 0.000) 13.821 40.694 ( 0.000 1.627 -0.000) 1.627 40.983 ( 0.000 -3.958 0.000) 3.958 41.697 ( 0.000 9.832 -0.000) 9.832 41.822 ( 0.000 5.688 0.000) 5.688 42.230 ( 0.000 -9.714 -0.000) 9.714 42.417 ( 0.000 -3.045 0.000) 3.045 42.669 ( 0.000 4.712 -0.000) 4.712 42.807 ( 0.000 -9.484 0.000) 9.484 43.393 ( 0.000 12.828 -0.000) 12.828 43.790 ( 0.000 -7.300 0.000) 7.300 44.024 ( 0.000 0.934 0.000) 0.934 44.073 ( 0.000 -1.983 0.000) 1.983 44.931 ( 0.000 8.974 0.000) 8.974 44.984 ( 0.000 4.927 0.000) 4.927 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 -27.745 0.000) 27.745 1.635 ( 0.000 27.745 0.000) 27.745 2.034 ( 0.000 -5.151 0.000) 5.151 2.034 ( 0.000 5.151 0.000) 5.151 2.458 ( 0.000 -2.135 0.000) 2.135 2.458 ( 0.000 2.135 0.000) 2.135 2.685 ( 0.000 -6.692 0.000) 6.692 2.685 ( 0.000 6.692 0.000) 6.692 2.961 ( 0.000 -4.341 0.000) 4.341 2.961 ( 0.000 4.341 0.000) 4.341 3.288 ( 0.000 -17.494 0.000) 17.494 3.288 ( 0.000 17.494 0.000) 17.494 3.381 ( 0.000 -2.095 0.000) 2.095 3.381 ( 0.000 2.095 0.000) 2.095 3.732 ( 0.000 -20.726 0.000) 20.726 3.732 ( 0.000 20.726 0.000) 20.726 3.846 ( 0.000 -1.202 0.000) 1.202 3.846 ( 0.000 1.202 0.000) 1.202 4.020 ( 0.000 -2.395 0.000) 2.395 4.020 ( 0.000 2.395 0.000) 2.395 4.399 ( 0.000 -18.679 0.000) 18.679 4.399 ( 0.000 18.679 0.000) 18.679 4.704 ( 0.000 -5.369 0.000) 5.369 4.704 ( 0.000 5.369 0.000) 5.369 4.772 ( 0.000 -8.135 0.000) 8.135 4.772 ( 0.000 8.135 0.000) 8.135 5.317 ( 0.000 -9.528 0.000) 9.528 5.317 ( 0.000 9.528 0.000) 9.528 5.598 ( 0.000 -7.784 0.000) 7.784 5.598 ( 0.000 7.784 0.000) 7.784 5.731 ( 0.000 -3.179 0.000) 3.179 5.731 ( 0.000 3.179 0.000) 3.179 5.948 ( 0.000 -10.752 0.000) 10.752 5.948 ( 0.000 10.752 0.000) 10.752 6.326 ( 0.000 -6.183 0.000) 6.183 6.326 ( 0.000 6.183 0.000) 6.183 6.630 ( 0.000 -5.552 0.000) 5.552 6.630 ( 0.000 5.552 0.000) 5.552 7.150 ( 0.000 -4.606 0.000) 4.606 7.150 ( 0.000 4.606 0.000) 4.606 7.187 ( 0.000 -1.071 0.000) 1.071 7.187 ( 0.000 1.071 0.000) 1.071 7.508 ( 0.000 -23.516 0.000) 23.516 7.508 ( 0.000 23.516 0.000) 23.516 7.590 ( 0.000 -5.331 0.000) 5.331 7.590 ( 0.000 5.331 0.000) 5.331 8.006 ( 0.000 -2.570 0.000) 2.570 8.006 ( 0.000 2.570 0.000) 2.570 8.116 ( 0.000 -13.205 0.000) 13.205 8.116 ( 0.000 13.205 0.000) 13.205 8.357 ( 0.000 -10.214 0.000) 10.214 8.357 ( 0.000 10.214 0.000) 10.214 8.699 ( 0.000 -3.335 0.000) 3.335 8.699 ( 0.000 3.335 0.000) 3.335 9.148 ( 0.000 -0.546 0.000) 0.546 9.148 ( 0.000 0.546 0.000) 0.546 9.443 ( 0.000 -0.750 0.000) 0.750 9.443 ( 0.000 0.750 0.000) 0.750 9.563 ( 0.000 -6.822 0.000) 6.822 9.563 ( 0.000 6.822 0.000) 6.822 9.985 ( 0.000 -3.369 0.000) 3.369 9.985 ( 0.000 3.369 0.000) 3.369 10.042 ( 0.000 -2.741 0.000) 2.741 10.042 ( 0.000 2.741 0.000) 2.741 11.222 ( 0.000 -0.344 0.000) 0.344 11.222 ( 0.000 0.344 0.000) 0.344 11.338 ( 0.000 -9.857 0.000) 9.857 11.338 ( 0.000 9.857 0.000) 9.857 11.899 ( 0.000 -2.262 0.000) 2.262 11.899 ( 0.000 2.262 0.000) 2.262 12.148 ( 0.000 -4.885 0.000) 4.885 12.148 ( 0.000 4.885 0.000) 4.885 12.905 ( 0.000 -2.118 0.000) 2.118 12.905 ( 0.000 2.118 0.000) 2.118 13.014 ( 0.000 -3.232 0.000) 3.232 13.014 ( 0.000 3.232 0.000) 3.232 13.767 ( 0.000 -0.396 0.000) 0.396 13.767 ( 0.000 0.396 0.000) 0.396 14.021 ( 0.000 -2.630 0.000) 2.630 14.021 ( 0.000 2.630 0.000) 2.630 14.600 ( 0.000 -18.599 0.000) 18.599 14.600 ( 0.000 18.599 0.000) 18.599 14.827 ( 0.000 -6.829 0.000) 6.829 14.827 ( 0.000 6.829 0.000) 6.829 15.186 ( 0.000 -5.092 0.000) 5.092 15.186 ( 0.000 5.092 0.000) 5.092 15.644 ( 0.000 -3.250 0.000) 3.250 15.644 ( 0.000 3.250 0.000) 3.250 15.923 ( 0.000 -5.057 0.000) 5.057 15.923 ( 0.000 5.057 0.000) 5.057 16.338 ( 0.000 -3.821 0.000) 3.821 16.338 ( 0.000 3.821 0.000) 3.821 17.285 ( 0.000 -14.883 0.000) 14.883 17.285 ( 0.000 14.883 0.000) 14.883 17.497 ( 0.000 -3.852 0.000) 3.852 17.497 ( 0.000 3.852 0.000) 3.852 17.928 ( 0.000 -4.105 0.000) 4.105 17.928 ( 0.000 4.105 0.000) 4.105 18.021 ( 0.000 -13.950 0.000) 13.950 18.021 ( 0.000 13.950 0.000) 13.950 18.404 ( 0.000 -1.276 0.000) 1.276 18.404 ( 0.000 1.276 0.000) 1.276 18.442 ( 0.000 -6.859 0.000) 6.859 18.442 ( 0.000 6.859 0.000) 6.859 18.676 ( 0.000 -2.395 0.000) 2.395 18.676 ( 0.000 2.395 0.000) 2.395 19.220 ( 0.000 -1.775 0.000) 1.775 19.220 ( 0.000 1.775 0.000) 1.775 19.271 ( 0.000 -1.000 0.000) 1.000 19.271 ( 0.000 1.000 0.000) 1.000 19.542 ( 0.000 -9.865 0.000) 9.865 19.542 ( 0.000 9.865 0.000) 9.865 19.656 ( 0.000 -5.852 0.000) 5.852 19.656 ( 0.000 5.852 0.000) 5.852 19.778 ( 0.000 -3.089 0.000) 3.089 19.778 ( 0.000 3.089 0.000) 3.089 20.112 ( 0.000 -2.390 0.000) 2.390 20.112 ( 0.000 2.390 0.000) 2.390 20.455 ( 0.000 -2.190 0.000) 2.190 20.455 ( 0.000 2.190 0.000) 2.190 20.533 ( 0.000 -13.376 0.000) 13.376 20.533 ( 0.000 13.376 0.000) 13.376 21.157 ( 0.000 -14.562 0.000) 14.562 21.157 ( 0.000 14.562 0.000) 14.562 22.350 ( 0.000 -0.232 0.000) 0.232 22.350 ( 0.000 0.232 0.000) 0.232 22.376 ( 0.000 -0.192 0.000) 0.192 22.376 ( 0.000 0.192 0.000) 0.192 22.976 ( 0.000 -2.541 0.000) 2.541 22.976 ( 0.000 2.541 0.000) 2.541 23.042 ( 0.000 -2.753 0.000) 2.753 23.042 ( 0.000 2.753 0.000) 2.753 24.094 ( 0.000 -0.716 0.000) 0.716 24.094 ( 0.000 0.716 0.000) 0.716 24.883 ( 0.000 -3.932 0.000) 3.932 24.883 ( 0.000 3.932 0.000) 3.932 25.364 ( 0.000 -1.584 0.000) 1.584 25.364 ( 0.000 1.584 0.000) 1.584 26.184 ( 0.000 -7.248 0.000) 7.248 26.184 ( 0.000 7.248 0.000) 7.248 26.518 ( 0.000 -2.860 0.000) 2.860 26.518 ( 0.000 2.860 0.000) 2.860 27.434 ( 0.000 -3.697 0.000) 3.697 27.434 ( 0.000 3.697 0.000) 3.697 27.707 ( 0.000 -30.329 0.000) 30.329 27.707 ( 0.000 30.329 0.000) 30.329 27.867 ( 0.000 -16.464 0.000) 16.464 27.867 ( 0.000 16.464 0.000) 16.464 28.324 ( 0.000 -2.298 0.000) 2.298 28.324 ( 0.000 2.298 0.000) 2.298 28.875 ( 0.000 -6.964 0.000) 6.964 28.875 ( 0.000 6.964 0.000) 6.964 29.152 ( 0.000 -0.516 0.000) 0.516 29.152 ( 0.000 0.516 0.000) 0.516 29.628 ( 0.000 -0.273 0.000) 0.273 29.628 ( 0.000 0.273 0.000) 0.273 30.217 ( 0.000 -1.016 0.000) 1.016 30.217 ( 0.000 1.016 0.000) 1.016 31.134 ( 0.000 -4.119 0.000) 4.119 31.134 ( 0.000 4.119 0.000) 4.119 31.396 ( 0.000 -12.017 0.000) 12.017 31.396 ( 0.000 12.017 0.000) 12.017 32.067 ( 0.000 -0.701 0.000) 0.701 32.067 ( 0.000 0.701 0.000) 0.701 32.504 ( 0.000 -4.401 0.000) 4.401 32.504 ( 0.000 4.401 0.000) 4.401 33.190 ( 0.000 -9.710 0.000) 9.710 33.190 ( 0.000 9.710 0.000) 9.710 33.693 ( 0.000 -3.145 0.000) 3.145 33.693 ( 0.000 3.145 0.000) 3.145 34.593 ( 0.000 -1.165 0.000) 1.165 34.593 ( 0.000 1.165 0.000) 1.165 37.650 ( 0.000 -3.678 0.000) 3.678 37.650 ( 0.000 3.678 0.000) 3.678 38.128 ( 0.000 -7.430 0.000) 7.430 38.128 ( 0.000 7.430 0.000) 7.430 39.163 ( 0.000 -2.931 0.000) 2.931 39.163 ( 0.000 2.931 0.000) 2.931 39.321 ( 0.000 -9.997 0.000) 9.997 39.321 ( 0.000 9.997 0.000) 9.997 39.465 ( 0.000 -5.106 0.000) 5.106 39.465 ( 0.000 5.106 0.000) 5.106 39.581 ( 0.000 -3.237 0.000) 3.237 39.581 ( 0.000 3.237 0.000) 3.237 39.714 ( 0.000 -2.335 0.000) 2.335 39.714 ( 0.000 2.335 0.000) 2.335 39.963 ( 0.000 -7.289 0.000) 7.289 39.963 ( 0.000 7.289 0.000) 7.289 40.585 ( 0.000 -12.847 0.000) 12.847 40.585 ( 0.000 12.847 0.000) 12.847 40.995 ( 0.000 -4.309 0.000) 4.309 40.995 ( 0.000 4.309 0.000) 4.309 41.896 ( 0.000 -5.100 0.000) 5.100 41.896 ( 0.000 5.100 0.000) 5.100 42.141 ( 0.000 -4.564 0.000) 4.564 42.141 ( 0.000 4.564 0.000) 4.564 42.866 ( 0.000 -11.638 0.000) 11.638 42.866 ( 0.000 11.638 0.000) 11.638 43.699 ( 0.000 -4.152 0.000) 4.152 43.699 ( 0.000 4.152 0.000) 4.152 43.863 ( 0.000 -5.847 0.000) 5.847 43.863 ( 0.000 5.847 0.000) 5.847 44.692 ( 0.000 -2.531 0.000) 2.531 44.692 ( 0.000 2.531 0.000) 2.531 ======================= Grid point 23 (14/80) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -3.944 -21.609 -0.859) 21.983 1.581 ( -3.944 21.609 -0.859) 21.983 2.081 ( 1.764 -2.402 1.458) 3.318 2.081 ( 1.764 2.402 1.458) 3.318 2.403 ( -4.178 -3.839 -4.103) 7.002 2.403 ( -4.178 3.839 -4.103) 7.002 2.611 ( -4.416 -5.602 -5.698) 9.130 2.611 ( -4.416 5.602 -5.698) 9.130 2.871 ( -8.012 -4.208 1.246) 9.135 2.871 ( -8.012 4.208 1.246) 9.135 3.302 ( 1.978 -11.658 -4.585) 12.683 3.302 ( 1.978 11.658 -4.585) 12.683 3.408 ( -2.984 -5.557 1.196) 6.419 3.408 ( -2.984 5.557 1.196) 6.419 3.618 ( 1.095 -13.242 -1.750) 13.402 3.618 ( 1.095 13.242 -1.750) 13.402 3.972 ( 1.640 -8.212 12.574) 15.107 3.972 ( 1.640 8.212 12.574) 15.107 4.128 ( 7.722 -10.381 6.906) 14.665 4.128 ( 7.722 10.381 6.906) 14.665 4.466 ( 7.348 -16.819 -1.297) 18.400 4.466 ( 7.348 16.819 -1.297) 18.400 4.684 ( -0.153 -2.195 -0.115) 2.203 4.684 ( -0.153 2.195 -0.115) 2.203 4.853 ( 5.711 -0.648 2.400) 6.229 4.853 ( 5.711 0.648 2.400) 6.229 5.289 ( -2.620 -8.765 -0.422) 9.158 5.289 ( -2.620 8.765 -0.422) 9.158 5.563 ( -2.886 -10.241 -0.854) 10.674 5.563 ( -2.886 10.241 -0.854) 10.674 5.714 ( -2.352 -1.781 1.592) 3.352 5.714 ( -2.352 1.781 1.592) 3.352 5.930 ( -2.267 -6.922 -1.604) 7.458 5.930 ( -2.267 6.922 -1.604) 7.458 6.311 ( -0.747 -8.308 -3.463) 9.031 6.311 ( -0.747 8.308 -3.463) 9.031 6.612 ( -0.999 -1.544 -1.322) 2.265 6.612 ( -0.999 1.544 -1.322) 2.265 7.078 ( -6.096 -10.777 -1.810) 12.513 7.078 ( -6.096 10.777 -1.810) 12.513 7.162 ( -2.638 -5.636 0.998) 6.302 7.162 ( -2.638 5.636 0.998) 6.302 7.466 ( -3.193 -26.071 -4.200) 26.599 7.466 ( -3.193 26.071 -4.200) 26.599 7.548 ( -5.278 -2.641 -4.137) 7.208 7.548 ( -5.278 2.641 -4.137) 7.208 7.854 ( 0.063 -14.480 -12.175) 18.918 7.854 ( 0.063 14.480 -12.175) 18.918 8.150 ( -1.515 -19.630 3.563) 20.008 8.150 ( -1.515 19.630 3.563) 20.008 8.396 ( 0.232 -11.208 2.252) 11.434 8.396 ( 0.232 11.208 2.252) 11.434 8.813 ( 6.344 -4.351 8.404) 11.393 8.813 ( 6.344 4.351 8.404) 11.393 9.169 ( 0.309 -8.376 3.513) 9.088 9.169 ( 0.309 8.376 3.513) 9.088 9.393 ( -2.843 -3.457 -0.827) 4.552 9.393 ( -2.843 3.457 -0.827) 4.552 9.600 ( 4.309 -5.923 -2.164) 7.638 9.600 ( 4.309 5.923 -2.164) 7.638 10.073 ( 4.179 -4.946 1.865) 6.738 10.073 ( 4.179 4.946 1.865) 6.738 10.103 ( 5.168 -3.554 9.587) 11.456 10.103 ( 5.168 3.554 9.587) 11.456 11.181 ( -2.925 -2.425 -2.384) 4.485 11.181 ( -2.925 2.425 -2.384) 4.485 11.334 ( 0.210 -8.704 -0.791) 8.742 11.334 ( 0.210 8.704 -0.791) 8.742 11.889 ( -0.328 -1.760 -1.897) 2.608 11.889 ( -0.328 1.760 -1.897) 2.608 12.107 ( -3.101 -4.718 -2.862) 6.330 12.107 ( -3.101 4.718 -2.862) 6.330 12.905 ( 0.587 -0.359 0.684) 0.970 12.905 ( 0.587 0.359 0.684) 0.970 13.064 ( 3.159 -3.278 2.570) 5.228 13.064 ( 3.159 3.278 2.570) 5.228 13.750 ( -1.757 -0.629 0.907) 2.075 13.750 ( -1.757 0.629 0.907) 2.075 13.999 ( -1.557 -2.145 -2.551) 3.678 13.999 ( -1.557 2.145 -2.551) 3.678 14.591 ( -0.159 -16.149 -0.518) 16.158 14.591 ( -0.159 16.149 -0.518) 16.158 14.836 ( -1.543 -7.468 -0.926) 7.682 14.836 ( -1.543 7.468 -0.926) 7.682 15.129 ( -0.757 -12.556 -3.279) 12.999 15.129 ( -0.757 12.556 -3.279) 12.999 15.657 ( -0.405 -10.301 3.081) 10.760 15.657 ( -0.405 10.301 3.081) 10.760 16.024 ( 7.085 -9.373 5.506) 12.975 16.024 ( 7.085 9.373 5.506) 12.975 16.401 ( 5.137 -7.050 2.356) 9.035 16.401 ( 5.137 7.050 2.356) 9.035 17.174 ( -4.967 -14.267 -9.316) 17.748 17.174 ( -4.967 14.267 -9.316) 17.748 17.425 ( -3.631 -5.270 -7.363) 9.756 17.425 ( -3.631 5.270 -7.363) 9.756 17.920 ( -3.746 -8.892 -3.244) 10.180 17.920 ( -3.746 8.892 -3.244) 10.180 18.094 ( 4.739 -7.317 9.333) 12.772 18.094 ( 4.739 7.317 9.333) 12.772 18.342 ( -2.795 -3.070 -4.875) 6.404 18.342 ( -2.795 3.070 -4.875) 6.404 18.462 ( 1.128 -2.824 0.691) 3.119 18.462 ( 1.128 2.824 0.691) 3.119 18.676 ( -0.300 -3.128 1.004) 3.299 18.676 ( -0.300 3.128 1.004) 3.299 19.145 ( -5.171 -2.219 -3.149) 6.448 19.145 ( -5.171 2.219 -3.149) 6.448 19.248 ( -1.623 -4.866 -1.756) 5.422 19.248 ( -1.623 4.866 -1.756) 5.422 19.506 ( -3.159 -8.200 0.263) 8.792 19.506 ( -3.159 8.200 0.263) 8.792 19.690 ( 0.070 -5.160 1.877) 5.491 19.690 ( 0.070 5.160 1.877) 5.491 19.815 ( 2.865 -1.999 -1.359) 3.748 19.815 ( 2.865 1.999 -1.359) 3.748 20.117 ( 1.679 -4.195 2.603) 5.215 20.117 ( 1.679 4.195 2.603) 5.215 20.351 ( -3.275 -2.069 -1.956) 4.340 20.351 ( -3.275 2.069 -1.956) 4.340 20.622 ( 4.717 -4.376 -3.038) 7.115 20.622 ( 4.717 4.376 -3.038) 7.115 21.325 ( 11.222 -11.050 11.281) 19.373 21.325 ( 11.222 11.050 11.281) 19.373 22.346 ( -0.944 -0.470 0.811) 1.330 22.346 ( -0.944 0.470 0.811) 1.330 22.398 ( 1.713 -0.303 1.375) 2.217 22.398 ( 1.713 0.303 1.375) 2.217 22.976 ( 0.001 -2.562 -0.076) 2.563 22.976 ( 0.001 2.562 -0.076) 2.563 23.050 ( 0.680 -2.771 0.133) 2.857 23.050 ( 0.680 2.771 0.133) 2.857 24.085 ( -0.497 -0.825 -0.877) 1.303 24.085 ( -0.497 0.825 -0.877) 1.303 24.838 ( -2.302 -11.794 -4.439) 12.810 24.838 ( -2.302 11.794 -4.439) 12.810 25.406 ( -0.668 -6.563 10.284) 12.218 25.406 ( -0.668 6.563 10.284) 12.218 26.154 ( -0.852 -3.149 -4.645) 5.676 26.154 ( -0.852 3.149 -4.645) 5.676 26.467 ( -2.681 -9.017 -5.757) 11.029 26.467 ( -2.681 9.017 -5.757) 11.029 27.447 ( 1.525 -4.649 -0.605) 4.930 27.447 ( 1.525 4.649 -0.605) 4.930 27.743 ( 5.442 -13.781 -1.268) 14.870 27.743 ( 5.442 13.781 -1.268) 14.870 27.943 ( 4.237 -5.398 5.935) 9.072 27.943 ( 4.237 5.398 5.935) 9.072 28.347 ( 0.554 -4.794 3.521) 5.974 28.347 ( 0.554 4.794 3.521) 5.974 28.888 ( 1.582 -5.858 -0.396) 6.081 28.888 ( 1.582 5.858 -0.396) 6.081 29.125 ( -1.593 -6.311 -2.843) 7.103 29.125 ( -1.593 6.311 -2.843) 7.103 29.617 ( -1.309 -0.660 0.403) 1.520 29.617 ( -1.309 0.660 0.403) 1.520 30.249 ( 1.522 -0.583 3.267) 3.651 30.249 ( 1.522 0.583 3.267) 3.651 31.137 ( 0.309 -10.051 -1.727) 10.203 31.137 ( 0.309 10.051 -1.727) 10.203 31.438 ( 3.699 -8.850 3.511) 10.214 31.438 ( 3.699 8.850 3.511) 10.214 32.048 ( -2.533 -2.300 1.228) 3.635 32.048 ( -2.533 2.300 1.228) 3.635 32.532 ( 2.172 -5.895 1.558) 6.473 32.532 ( 2.172 5.895 1.558) 6.473 33.103 ( -6.576 -6.622 -5.914) 11.048 33.103 ( -6.576 6.622 -5.914) 11.048 33.673 ( -1.166 -3.602 -1.431) 4.048 33.673 ( -1.166 3.602 -1.431) 4.048 34.581 ( -0.555 -0.905 -1.325) 1.698 34.581 ( -0.555 0.905 -1.325) 1.698 37.659 ( 0.991 -2.806 -0.004) 2.976 37.659 ( 0.991 2.806 -0.004) 2.976 38.106 ( -1.917 -6.743 -0.583) 7.034 38.106 ( -1.917 6.743 -0.583) 7.034 39.199 ( 2.489 -2.964 2.577) 4.650 39.199 ( 2.489 2.964 2.577) 4.650 39.314 ( -0.486 -8.745 -0.646) 8.782 39.314 ( -0.486 8.745 -0.646) 8.782 39.452 ( -0.599 -3.979 -0.957) 4.136 39.452 ( -0.599 3.979 -0.957) 4.136 39.622 ( 3.419 -4.864 1.815) 6.216 39.622 ( 3.419 4.864 1.815) 6.216 39.702 ( -0.535 -3.328 -1.572) 3.719 39.702 ( -0.535 3.328 -1.572) 3.719 39.955 ( 0.927 -6.635 -3.418) 7.521 39.955 ( 0.927 6.635 -3.418) 7.521 40.486 ( -7.818 -5.819 -9.226) 13.420 40.486 ( -7.818 5.819 -9.226) 13.420 40.888 ( -7.108 -8.760 -0.523) 11.294 40.888 ( -7.108 8.760 -0.523) 11.294 41.900 ( -1.773 -3.590 4.210) 5.810 41.900 ( -1.773 3.590 4.210) 5.810 42.179 ( 2.073 -9.813 0.974) 10.077 42.179 ( 2.073 9.813 0.974) 10.077 42.826 ( -2.996 -9.469 -2.197) 10.172 42.826 ( -2.996 9.469 -2.197) 10.172 43.646 ( -5.561 -8.262 5.106) 11.192 43.646 ( -5.561 8.262 5.106) 11.192 43.948 ( 7.362 -3.287 -2.541) 8.453 43.948 ( 7.362 3.287 -2.541) 8.453 44.786 ( 5.063 -3.785 9.054) 11.043 44.786 ( 5.063 3.785 9.054) 11.043 ======================= Grid point 25 (15/80) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -3.835 -11.880 1.305) 12.552 1.517 ( -3.835 11.880 1.305) 12.552 2.048 ( -4.037 -6.947 -3.700) 8.846 2.048 ( -4.037 6.947 -3.700) 8.846 2.277 ( -3.056 -12.383 -7.179) 14.636 2.277 ( -3.056 12.383 -7.179) 14.636 2.495 ( -5.080 -7.395 0.318) 8.977 2.495 ( -5.080 7.395 0.318) 8.977 2.784 ( -3.054 -5.900 0.204) 6.646 2.784 ( -3.054 5.900 0.204) 6.646 3.247 ( -1.263 -4.336 -6.431) 7.858 3.247 ( -1.263 4.336 -6.431) 7.858 3.333 ( -3.559 -3.449 2.273) 5.453 3.333 ( -3.559 3.449 2.273) 5.453 3.752 ( 8.250 -10.202 2.608) 13.377 3.752 ( 8.250 10.202 2.608) 13.377 4.119 ( 2.509 -8.076 13.110) 15.602 4.119 ( 2.509 8.076 13.110) 15.602 4.280 ( 1.502 -8.115 4.189) 9.256 4.280 ( 1.502 8.115 4.189) 9.256 4.587 ( 7.947 -7.095 -5.941) 12.198 4.587 ( 7.947 7.095 -5.941) 12.198 4.723 ( 3.332 -7.807 6.661) 10.790 4.723 ( 3.332 7.807 6.661) 10.790 4.963 ( 4.542 -4.087 0.894) 6.175 4.963 ( 4.542 4.087 0.894) 6.175 5.265 ( 0.025 -2.491 2.188) 3.316 5.265 ( 0.025 2.491 2.188) 3.316 5.508 ( -4.374 -13.165 3.112) 14.217 5.508 ( -4.374 13.165 3.112) 14.217 5.700 ( -1.036 -2.011 2.597) 3.444 5.700 ( -1.036 2.011 2.597) 3.444 5.852 ( -2.213 -7.478 -3.148) 8.410 5.852 ( -2.213 7.478 -3.148) 8.410 6.158 ( -7.184 -8.307 -18.075) 21.150 6.158 ( -7.184 8.307 -18.075) 21.150 6.614 ( 0.282 -6.042 3.607) 7.043 6.614 ( 0.282 6.042 3.607) 7.043 6.986 ( -3.424 -5.609 0.334) 6.580 6.986 ( -3.424 5.609 0.334) 6.580 7.093 ( -5.401 -9.047 -1.021) 10.586 7.093 ( -5.401 9.047 -1.021) 10.586 7.314 ( -4.158 -13.772 -7.681) 16.308 7.314 ( -4.158 13.772 -7.681) 16.308 7.476 ( -1.325 -10.312 0.898) 10.436 7.476 ( -1.325 10.312 0.898) 10.436 7.804 ( -0.192 -29.271 -3.416) 29.471 7.804 ( -0.192 29.271 -3.416) 29.471 8.127 ( -2.474 -10.902 -0.715) 11.202 8.127 ( -2.474 10.902 -0.715) 11.202 8.421 ( 1.467 -4.219 2.200) 4.979 8.421 ( 1.467 4.219 2.200) 4.979 8.948 ( 2.094 -11.016 4.190) 11.971 8.948 ( 2.094 11.016 4.190) 11.971 9.237 ( 4.182 -10.486 3.474) 11.812 9.237 ( 4.182 10.486 3.474) 11.812 9.373 ( 0.235 -3.126 1.085) 3.317 9.373 ( 0.235 3.126 1.085) 3.317 9.611 ( -1.645 -5.184 -2.881) 6.155 9.611 ( -1.645 5.184 -2.881) 6.155 10.167 ( 5.987 -4.634 0.550) 7.591 10.167 ( 5.987 4.634 0.550) 7.591 10.286 ( 3.285 -8.886 9.997) 13.773 10.286 ( 3.285 8.886 9.997) 13.773 11.136 ( 0.787 -2.528 -0.274) 2.661 11.136 ( 0.787 2.528 -0.274) 2.661 11.323 ( -0.949 -5.119 -1.705) 5.478 11.323 ( -0.949 5.119 -1.705) 5.478 11.851 ( -1.546 -0.537 -3.158) 3.557 11.851 ( -1.546 0.537 -3.158) 3.557 12.019 ( -3.164 -3.557 -2.713) 5.480 12.019 ( -3.164 3.557 -2.713) 5.480 12.942 ( 2.127 -2.443 1.420) 3.537 12.942 ( 2.127 2.443 1.420) 3.537 13.132 ( 1.898 -3.899 2.250) 4.885 13.132 ( 1.898 3.899 2.250) 4.885 13.745 ( -0.265 -1.199 2.440) 2.732 13.745 ( -0.265 1.199 2.440) 2.732 13.930 ( -2.662 -1.342 -3.743) 4.785 13.930 ( -2.662 1.342 -3.743) 4.785 14.575 ( -1.629 -9.470 -1.243) 9.689 14.575 ( -1.629 9.470 -1.243) 9.689 14.741 ( -3.542 -8.455 -4.538) 10.229 14.741 ( -3.542 8.455 -4.538) 10.229 15.165 ( 3.269 -8.188 2.544) 9.176 15.165 ( 3.269 8.188 2.544) 9.176 15.692 ( 1.342 -9.689 2.998) 10.230 15.692 ( 1.342 9.689 2.998) 10.230 16.182 ( 4.144 -10.324 6.025) 12.651 16.182 ( 4.144 10.324 6.025) 12.651 16.485 ( 3.250 -13.019 -3.399) 13.842 16.485 ( 3.250 13.019 -3.399) 13.842 17.069 ( 0.912 -6.955 -2.787) 7.548 17.069 ( 0.912 6.955 -2.787) 7.548 17.294 ( -4.515 -5.650 -4.333) 8.431 17.294 ( -4.515 5.650 -4.333) 8.431 17.770 ( -6.961 -16.741 -7.249) 19.526 17.770 ( -6.961 16.741 -7.249) 19.526 18.187 ( -0.466 -6.186 -0.315) 6.211 18.187 ( -0.466 6.186 -0.315) 6.211 18.314 ( 2.207 -2.511 1.261) 3.573 18.314 ( 2.207 2.511 1.261) 3.573 18.492 ( 1.300 -2.545 1.530) 3.242 18.492 ( 1.300 2.545 1.530) 3.242 18.697 ( 1.348 -6.579 2.788) 7.272 18.697 ( 1.348 6.579 2.788) 7.272 19.038 ( -4.149 -4.600 -2.945) 6.859 19.038 ( -4.149 4.600 -2.945) 6.859 19.190 ( -2.342 -2.769 -2.663) 4.499 19.190 ( -2.342 2.769 -2.663) 4.499 19.453 ( -2.911 -4.400 -0.056) 5.276 19.453 ( -2.911 4.400 -0.056) 5.276 19.668 ( -2.254 -10.188 0.272) 10.438 19.668 ( -2.254 10.188 0.272) 10.438 19.840 ( 1.743 -4.116 -0.879) 4.556 19.840 ( 1.743 4.116 -0.879) 4.556 20.201 ( 2.144 -6.935 2.693) 7.743 20.201 ( 2.144 6.935 2.693) 7.743 20.354 ( 3.174 -3.061 3.547) 5.659 20.354 ( 3.174 3.061 3.547) 5.659 20.624 ( 0.359 -2.479 -5.335) 5.894 20.624 ( 0.359 2.479 -5.335) 5.894 21.613 ( 9.952 -5.448 8.181) 13.988 21.613 ( 9.952 5.448 8.181) 13.988 22.333 ( -1.287 -0.581 0.847) 1.646 22.333 ( -1.287 0.581 0.847) 1.646 22.443 ( 1.644 -0.215 1.484) 2.225 22.443 ( 1.644 0.215 1.484) 2.225 22.974 ( -0.082 -2.594 -0.097) 2.598 22.974 ( -0.082 2.594 -0.097) 2.598 23.063 ( 0.635 -2.888 0.094) 2.959 23.063 ( 0.635 2.888 0.094) 2.959 24.068 ( -0.371 -1.271 -0.862) 1.580 24.068 ( -0.371 1.271 -0.862) 1.580 24.762 ( -1.902 -16.954 -3.298) 17.376 24.762 ( -1.902 16.954 -3.298) 17.376 25.499 ( -0.645 -6.137 12.580) 14.012 25.499 ( -0.645 6.137 12.580) 14.012 26.083 ( -0.549 -2.885 -8.779) 9.257 26.083 ( -0.549 2.885 -8.779) 9.257 26.361 ( -3.370 -17.485 -4.356) 18.332 26.361 ( -3.370 17.485 -4.356) 18.332 27.466 ( 1.196 -8.107 -0.635) 8.220 27.466 ( 1.196 8.107 -0.635) 8.220 27.860 ( 7.495 -7.981 0.386) 10.955 27.860 ( 7.495 7.981 0.386) 10.955 28.054 ( 2.691 -15.001 3.511) 15.639 28.054 ( 2.691 15.001 3.511) 15.639 28.388 ( 0.058 -7.504 4.251) 8.625 28.388 ( 0.058 7.504 4.251) 8.625 28.915 ( 1.746 -1.759 -0.159) 2.483 28.915 ( 1.746 1.759 -0.159) 2.483 29.059 ( -2.380 -8.751 -3.800) 9.833 29.059 ( -2.380 8.751 -3.800) 9.833 29.601 ( -0.745 -1.149 0.233) 1.389 29.601 ( -0.745 1.149 0.233) 1.389 30.305 ( 1.199 -4.941 3.488) 6.166 30.305 ( 1.199 4.941 3.488) 6.166 31.106 ( -1.475 -14.002 -1.986) 14.219 31.106 ( -1.475 14.002 -1.986) 14.219 31.561 ( 5.390 -2.884 3.442) 7.016 31.561 ( 5.390 2.884 3.442) 7.016 32.020 ( -1.989 -3.890 2.184) 4.884 32.020 ( -1.989 3.890 2.184) 4.884 32.587 ( 2.146 -7.318 1.605) 7.793 32.587 ( 2.146 7.318 1.605) 7.793 32.911 ( -7.468 -2.310 -6.956) 10.464 32.911 ( -7.468 2.310 -6.956) 10.464 33.642 ( -0.841 -4.296 -1.275) 4.560 33.642 ( -0.841 4.296 -1.275) 4.560 34.559 ( -0.493 -0.784 -1.219) 1.531 34.559 ( -0.493 0.784 -1.219) 1.531 37.678 ( 1.062 -0.955 -0.040) 1.429 37.678 ( 1.062 0.955 -0.040) 1.429 38.068 ( -1.752 -4.881 -0.329) 5.196 38.068 ( -1.752 4.881 -0.329) 5.196 39.263 ( 0.991 -5.104 1.969) 5.559 39.263 ( 0.991 5.104 1.969) 5.559 39.312 ( 1.911 -2.085 0.281) 2.842 39.312 ( 1.911 2.085 0.281) 2.842 39.429 ( -1.044 -1.358 -1.087) 2.028 39.429 ( -1.044 1.358 -1.087) 2.028 39.651 ( -0.822 -5.467 -3.851) 6.738 39.651 ( -0.822 5.467 -3.851) 6.738 39.740 ( 4.767 -5.252 5.470) 8.957 39.740 ( 4.767 5.252 5.470) 8.957 39.939 ( 1.858 -6.085 -5.728) 8.561 39.939 ( 1.858 6.085 -5.728) 8.561 40.221 ( -11.828 -12.596 -6.976) 18.634 40.221 ( -11.828 12.596 -6.976) 18.634 40.823 ( -2.054 -11.030 1.501) 11.319 40.823 ( -2.054 11.030 1.501) 11.319 41.909 ( -2.159 -3.641 5.572) 6.998 41.909 ( -2.159 3.641 5.572) 6.998 42.189 ( 0.517 -11.958 -3.321) 12.422 42.189 ( 0.517 11.958 -3.321) 12.422 42.760 ( -2.346 -4.630 -0.974) 5.281 42.760 ( -2.346 4.630 -0.974) 5.281 43.621 ( -2.545 -10.302 4.189) 11.409 43.621 ( -2.545 10.302 4.189) 11.409 44.023 ( 3.722 -1.831 -1.963) 4.589 44.023 ( 3.722 1.831 -1.963) 4.589 44.952 ( 4.211 -3.182 7.601) 9.254 44.952 ( 4.211 3.182 7.601) 9.254 ======================= Grid point 27 (16/80) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 0.000 -2.795 0.000) 2.795 1.484 ( 0.000 2.795 -0.000) 2.795 1.976 ( -0.000 -6.741 0.000) 6.741 1.976 ( 0.000 6.741 -0.000) 6.741 2.218 ( 0.000 -12.519 -0.000) 12.519 2.218 ( 0.000 12.519 0.000) 12.519 2.453 ( 0.000 -10.153 0.000) 10.153 2.453 ( 0.000 10.153 0.000) 10.153 2.759 ( 0.000 -5.740 0.000) 5.740 2.759 ( 0.000 5.740 -0.000) 5.740 3.210 ( 0.000 -1.970 -0.000) 1.970 3.210 ( 0.000 1.970 0.000) 1.970 3.313 ( 0.000 -0.065 -0.000) 0.065 3.313 ( 0.000 0.065 0.000) 0.065 3.846 ( 0.000 -12.279 0.000) 12.279 3.846 ( 0.000 12.279 -0.000) 12.279 4.234 ( 0.000 -8.046 -0.000) 8.046 4.234 ( -0.000 8.046 -0.000) 8.046 4.271 ( 0.000 -3.404 0.000) 3.404 4.271 ( 0.000 3.404 0.000) 3.404 4.605 ( 0.000 -6.200 -0.000) 6.200 4.605 ( 0.000 6.200 0.000) 6.200 4.832 ( 0.000 -7.590 -0.000) 7.590 4.832 ( 0.000 7.590 -0.000) 7.590 5.005 ( 0.000 -3.543 -0.000) 3.543 5.005 ( 0.000 3.543 0.000) 3.543 5.305 ( 0.000 -2.005 0.000) 2.005 5.305 ( 0.000 2.005 -0.000) 2.005 5.458 ( 0.000 -0.767 0.000) 0.767 5.458 ( 0.000 0.767 0.000) 0.767 5.763 ( -0.000 -6.666 -0.000) 6.666 5.763 ( 0.000 6.666 -0.000) 6.666 5.835 ( 0.000 -14.192 0.000) 14.192 5.835 ( 0.000 14.192 -0.000) 14.192 5.905 ( 0.000 -10.396 0.000) 10.396 5.905 ( 0.000 10.396 0.000) 10.396 6.638 ( 0.000 -2.115 -0.000) 2.115 6.638 ( 0.000 2.115 0.000) 2.115 6.951 ( 0.000 -3.296 0.000) 3.296 6.951 ( 0.000 3.296 0.000) 3.296 7.037 ( 0.000 -9.147 -0.000) 9.147 7.037 ( 0.000 9.147 0.000) 9.147 7.245 ( 0.000 -6.801 0.000) 6.801 7.245 ( 0.000 6.801 0.000) 6.801 7.478 ( 0.000 -16.871 0.000) 16.871 7.478 ( 0.000 16.871 0.000) 16.871 7.784 ( 0.000 -36.672 -0.000) 36.672 7.784 ( 0.000 36.672 0.000) 36.672 8.093 ( 0.000 -5.352 0.000) 5.352 8.093 ( 0.000 5.352 -0.000) 5.352 8.454 ( 0.000 -9.904 0.000) 9.904 8.454 ( 0.000 9.904 0.000) 9.904 8.978 ( 0.000 -13.518 0.000) 13.518 8.978 ( 0.000 13.518 0.000) 13.518 9.304 ( 0.000 -13.150 -0.000) 13.150 9.304 ( -0.000 13.150 0.000) 13.150 9.404 ( -0.000 -0.477 0.000) 0.477 9.404 ( 0.000 0.477 -0.000) 0.477 9.544 ( 0.000 -4.490 0.000) 4.490 9.544 ( 0.000 4.490 0.000) 4.490 10.242 ( 0.000 -5.531 0.000) 5.531 10.242 ( -0.000 5.531 0.000) 5.531 10.346 ( 0.000 -5.766 0.000) 5.766 10.346 ( 0.000 5.766 -0.000) 5.766 11.185 ( 0.000 -3.685 0.000) 3.685 11.185 ( 0.000 3.685 -0.000) 3.685 11.277 ( 0.000 -4.397 0.000) 4.397 11.277 ( 0.000 4.397 -0.000) 4.397 11.813 ( 0.000 -0.838 0.000) 0.838 11.813 ( 0.000 0.838 -0.000) 0.838 11.980 ( 0.000 -2.505 0.000) 2.505 11.980 ( 0.000 2.505 0.000) 2.505 12.973 ( 0.000 -3.706 -0.000) 3.706 12.973 ( 0.000 3.706 -0.000) 3.706 13.158 ( 0.000 -4.308 0.000) 4.308 13.158 ( 0.000 4.308 -0.000) 4.308 13.765 ( 0.000 -0.115 -0.000) 0.115 13.765 ( 0.000 0.115 0.000) 0.115 13.879 ( 0.000 -0.547 -0.000) 0.547 13.879 ( 0.000 0.547 -0.000) 0.547 14.539 ( 0.000 -2.772 0.000) 2.772 14.539 ( 0.000 2.772 0.000) 2.772 14.695 ( 0.000 -7.473 -0.000) 7.473 14.695 ( 0.000 7.473 0.000) 7.473 15.214 ( 0.000 -3.256 0.000) 3.256 15.214 ( 0.000 3.256 0.000) 3.256 15.725 ( 0.000 -5.698 0.000) 5.698 15.725 ( 0.000 5.698 0.000) 5.698 16.246 ( 0.000 -1.996 -0.000) 1.996 16.246 ( 0.000 1.996 -0.000) 1.996 16.476 ( 0.000 -10.359 0.000) 10.359 16.476 ( 0.000 10.359 0.000) 10.359 17.108 ( 0.000 -5.642 0.000) 5.642 17.108 ( 0.000 5.642 0.000) 5.642 17.225 ( 0.000 -1.125 -0.000) 1.125 17.225 ( 0.000 1.126 0.000) 1.126 17.653 ( 0.000 -24.448 0.000) 24.448 17.653 ( 0.000 24.448 0.000) 24.448 18.171 ( 0.000 -5.842 -0.000) 5.842 18.171 ( 0.000 5.842 0.000) 5.842 18.342 ( 0.000 -1.010 -0.000) 1.010 18.342 ( 0.000 1.010 -0.000) 1.010 18.514 ( 0.000 -3.700 -0.000) 3.700 18.514 ( 0.000 3.700 0.000) 3.700 18.744 ( -0.000 -10.950 -0.000) 10.950 18.744 ( 0.000 10.950 -0.000) 10.950 18.972 ( 0.000 -7.099 0.000) 7.099 18.972 ( 0.000 7.099 0.000) 7.099 19.154 ( -0.000 -0.272 -0.000) 0.272 19.154 ( 0.000 0.272 0.000) 0.272 19.424 ( 0.000 -2.381 -0.000) 2.381 19.424 ( 0.000 2.381 -0.000) 2.381 19.650 ( 0.000 -9.935 0.000) 9.935 19.650 ( 0.000 9.935 0.000) 9.935 19.852 ( 0.000 -1.863 -0.000) 1.863 19.852 ( 0.000 1.863 0.000) 1.863 20.222 ( 0.000 -5.669 -0.000) 5.669 20.222 ( 0.000 5.669 0.000) 5.669 20.435 ( 0.000 -3.405 0.000) 3.405 20.435 ( 0.000 3.405 0.000) 3.405 20.581 ( 0.000 -2.737 -0.000) 2.737 20.581 ( 0.000 2.737 0.000) 2.737 21.741 ( 0.000 -3.070 0.000) 3.070 21.741 ( 0.000 3.070 0.000) 3.070 22.324 ( 0.000 -0.832 0.000) 0.832 22.324 ( 0.000 0.832 -0.000) 0.832 22.466 ( 0.000 -0.134 0.000) 0.134 22.466 ( 0.000 0.134 0.000) 0.134 22.973 ( 0.000 -2.620 0.000) 2.620 22.973 ( 0.000 2.620 0.000) 2.620 23.069 ( 0.000 -2.960 0.000) 2.960 23.069 ( 0.000 2.960 -0.000) 2.960 24.061 ( 0.000 -1.638 0.000) 1.638 24.061 ( 0.000 1.638 -0.000) 1.638 24.730 ( 0.000 -18.710 0.000) 18.710 24.730 ( 0.000 18.710 0.000) 18.710 25.561 ( 0.000 -2.570 -0.000) 2.570 25.561 ( 0.000 2.570 0.000) 2.570 26.024 ( 0.000 -0.298 0.000) 0.298 26.024 ( 0.000 0.298 -0.000) 0.298 26.311 ( 0.000 -20.014 0.000) 20.014 26.311 ( 0.000 20.014 -0.000) 20.014 27.474 ( 0.000 -8.837 0.000) 8.837 27.474 ( 0.000 8.837 0.000) 8.837 27.941 ( 0.000 -21.332 -0.000) 21.332 27.941 ( 0.000 21.332 0.000) 21.332 28.085 ( 0.000 -27.771 -0.000) 27.771 28.085 ( 0.000 27.771 0.000) 27.771 28.411 ( 0.000 -7.185 0.000) 7.185 28.411 ( 0.000 7.185 -0.000) 7.185 28.935 ( 0.000 -8.482 0.000) 8.482 28.935 ( 0.000 8.482 0.000) 8.482 29.010 ( 0.000 -4.597 -0.000) 4.597 29.010 ( 0.000 4.597 -0.000) 4.597 29.596 ( 0.000 -1.430 -0.000) 1.430 29.596 ( 0.000 1.430 0.000) 1.430 30.334 ( 0.000 -7.745 -0.000) 7.745 30.334 ( 0.000 7.745 0.000) 7.745 31.080 ( 0.000 -15.392 0.000) 15.392 31.080 ( 0.000 15.392 -0.000) 15.392 31.627 ( 0.000 -1.686 0.000) 1.686 31.627 ( 0.000 1.686 0.000) 1.686 32.017 ( 0.000 -2.723 0.000) 2.723 32.017 ( 0.000 2.723 -0.000) 2.723 32.616 ( 0.000 -8.390 0.000) 8.390 32.616 ( 0.000 8.390 -0.000) 8.390 32.802 ( 0.000 -5.292 0.000) 5.292 32.802 ( 0.000 5.292 -0.000) 5.292 33.629 ( 0.000 -4.670 0.000) 4.670 33.629 ( 0.000 4.670 0.000) 4.670 34.549 ( 0.000 -0.593 0.000) 0.593 34.549 ( 0.000 0.593 0.000) 0.593 37.688 ( 0.000 -0.542 -0.000) 0.542 37.688 ( 0.000 0.542 0.000) 0.542 38.050 ( 0.000 -3.554 0.000) 3.554 38.050 ( 0.000 3.554 0.000) 3.554 39.269 ( 0.000 -4.951 0.000) 4.951 39.269 ( 0.000 4.951 0.000) 4.951 39.354 ( 0.000 -2.948 -0.000) 2.948 39.354 ( 0.000 2.948 0.000) 2.948 39.410 ( 0.000 -0.349 0.000) 0.349 39.410 ( 0.000 0.349 0.000) 0.349 39.614 ( 0.000 -4.349 0.000) 4.349 39.614 ( 0.000 4.349 -0.000) 4.349 39.851 ( -0.000 -3.358 -0.000) 3.358 39.851 ( 0.000 3.358 0.000) 3.358 39.916 ( 0.000 -4.873 0.000) 4.873 39.916 ( 0.000 4.873 -0.000) 4.873 40.059 ( 0.000 -10.920 0.000) 10.920 40.059 ( 0.000 10.920 -0.000) 10.920 40.815 ( 0.000 -9.394 0.000) 9.394 40.815 ( 0.000 9.394 0.000) 9.394 41.917 ( 0.000 -0.448 -0.000) 0.448 41.917 ( 0.000 0.448 -0.000) 0.448 42.171 ( 0.000 -11.973 0.000) 11.973 42.171 ( 0.000 11.973 0.000) 11.973 42.737 ( 0.000 -2.118 0.000) 2.118 42.737 ( 0.000 2.118 0.000) 2.118 43.619 ( 0.000 -10.526 -0.000) 10.526 43.619 ( 0.000 10.526 0.000) 10.526 44.045 ( 0.000 -1.236 0.000) 1.236 44.045 ( 0.000 1.236 0.000) 1.236 45.024 ( 0.000 -1.071 0.000) 1.071 45.024 ( 0.000 1.071 0.000) 1.071 ======================= Grid point 49 (17/80) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -29.246 0.000 36.207) 46.543 0.878 ( 19.724 0.000 46.035) 50.082 1.221 ( 30.098 0.000 50.612) 58.885 2.045 ( 15.806 0.000 11.228) 19.388 2.088 ( 3.051 0.000 -10.699) 11.126 2.613 ( 8.187 0.000 3.332) 8.839 2.618 ( -3.453 0.000 11.896) 12.387 2.687 ( 9.827 0.000 -10.552) 14.419 2.831 ( -6.888 0.000 -1.942) 7.157 2.896 ( 4.154 0.000 -4.790) 6.340 3.012 ( -6.614 0.000 22.345) 23.304 3.039 ( 2.705 0.000 -13.324) 13.596 3.213 ( -9.849 0.000 1.870) 10.025 3.392 ( 5.510 0.000 4.690) 7.236 3.468 ( -1.304 0.000 0.524) 1.405 3.659 ( 1.563 0.000 7.839) 7.994 3.849 ( 2.379 0.000 -12.352) 12.579 3.961 ( 8.064 0.000 -0.891) 8.113 4.093 ( -12.334 0.000 20.870) 24.242 4.265 ( -3.702 0.000 -2.158) 4.285 4.437 ( -7.102 0.000 4.233) 8.268 4.530 ( -2.883 0.000 10.336) 10.731 4.704 ( -3.662 0.000 7.368) 8.228 4.753 ( 0.927 0.000 -7.303) 7.362 4.791 ( 3.464 0.000 6.354) 7.237 4.968 ( 3.632 0.000 -5.005) 6.185 5.041 ( -15.541 0.000 7.283) 17.163 5.443 ( -8.493 0.000 -10.225) 13.292 5.504 ( -1.992 0.000 -4.397) 4.827 5.555 ( 0.179 0.000 5.432) 5.435 5.755 ( -5.616 0.000 -6.756) 8.785 5.879 ( 3.480 0.000 -4.561) 5.737 5.901 ( 2.033 0.000 8.200) 8.448 5.970 ( -0.856 0.000 -7.074) 7.126 5.980 ( -2.915 0.000 -11.676) 12.035 6.334 ( 4.697 0.000 13.264) 14.071 6.386 ( 8.914 0.000 -7.390) 11.579 6.627 ( -14.782 0.000 -11.750) 18.883 6.644 ( -0.255 0.000 -1.081) 1.110 6.780 ( -0.433 0.000 5.273) 5.291 7.010 ( -3.591 0.000 -2.189) 4.205 7.183 ( 0.566 0.000 -6.527) 6.551 7.417 ( -17.585 0.000 -3.914) 18.016 7.586 ( -4.254 0.000 4.718) 6.352 7.600 ( 3.094 0.000 3.778) 4.883 7.655 ( 9.842 0.000 16.075) 18.849 7.707 ( -3.821 0.000 4.993) 6.288 8.088 ( -0.139 0.000 -8.792) 8.793 8.174 ( -0.691 0.000 -3.773) 3.836 8.459 ( -6.616 0.000 -0.485) 6.634 8.460 ( 0.227 0.000 5.453) 5.457 8.811 ( 10.295 0.000 0.527) 10.308 8.838 ( 24.488 0.000 4.716) 24.938 8.980 ( 1.157 0.000 2.159) 2.449 9.063 ( -5.287 0.000 -2.303) 5.766 9.123 ( 5.039 0.000 -7.660) 9.169 9.165 ( 4.532 0.000 -6.748) 8.128 9.354 ( 3.702 0.000 0.512) 3.737 9.426 ( 8.495 0.000 -3.100) 9.043 9.474 ( 0.002 0.000 -4.401) 4.401 10.212 ( -11.134 0.000 -3.526) 11.679 10.217 ( -1.213 0.000 -2.171) 2.487 10.339 ( -9.371 0.000 -11.116) 14.539 10.452 ( 1.045 0.000 3.519) 3.671 11.091 ( -2.060 0.000 0.077) 2.062 11.097 ( 5.060 0.000 3.684) 6.259 11.245 ( 5.054 0.000 3.801) 6.324 11.524 ( -6.003 0.000 -7.523) 9.624 11.885 ( 1.920 0.000 3.994) 4.432 12.167 ( 1.868 0.000 -0.080) 1.870 12.198 ( 0.339 0.000 -1.417) 1.457 12.437 ( -4.752 0.000 -1.916) 5.124 12.866 ( 3.204 0.000 1.178) 3.414 12.953 ( -0.110 0.000 0.787) 0.794 13.258 ( -3.508 0.000 4.636) 5.813 13.418 ( 2.242 0.000 4.134) 4.702 13.762 ( 2.855 0.000 -2.066) 3.524 13.783 ( -2.846 0.000 -2.332) 3.679 13.884 ( -2.854 0.000 -6.155) 6.785 13.896 ( 0.292 0.000 -1.852) 1.875 14.100 ( 3.580 0.000 -1.807) 4.010 14.180 ( 1.848 0.000 -1.265) 2.240 14.811 ( 4.405 0.000 6.072) 7.502 14.823 ( 4.319 0.000 4.897) 6.529 15.013 ( 0.359 0.000 7.674) 7.682 15.445 ( 1.135 0.000 -6.615) 6.712 15.628 ( -3.174 0.000 -7.854) 8.471 15.862 ( -0.431 0.000 2.600) 2.635 15.980 ( -8.990 0.000 -11.736) 14.783 16.079 ( -1.498 0.000 4.629) 4.865 16.350 ( -13.141 0.000 -9.842) 16.419 16.386 ( 2.848 0.000 5.615) 6.296 16.837 ( -7.327 0.000 -9.287) 11.829 16.991 ( 1.629 0.000 19.748) 19.815 17.239 ( 0.751 0.000 11.068) 11.094 17.393 ( 5.428 0.000 -1.935) 5.763 17.409 ( 7.255 0.000 2.996) 7.849 17.896 ( -3.996 0.000 7.991) 8.935 18.212 ( -2.719 0.000 -2.594) 3.758 18.256 ( 4.563 0.000 2.486) 5.196 18.354 ( -1.346 0.000 -6.553) 6.690 18.541 ( -1.031 0.000 0.299) 1.073 18.608 ( 8.625 0.000 -4.214) 9.600 18.712 ( -1.553 0.000 -0.670) 1.691 18.735 ( 1.809 0.000 -0.659) 1.925 18.906 ( 1.498 0.000 3.034) 3.384 19.024 ( 3.570 0.000 2.274) 4.233 19.068 ( -3.375 0.000 2.855) 4.421 19.097 ( 0.130 0.000 0.636) 0.649 19.339 ( 5.966 0.000 -0.806) 6.020 19.393 ( 6.863 0.000 3.094) 7.529 19.462 ( -0.986 0.000 -1.701) 1.966 19.483 ( 2.399 0.000 3.950) 4.621 19.810 ( -6.203 0.000 -0.487) 6.223 19.933 ( 6.045 0.000 -9.363) 11.145 20.146 ( -0.033 0.000 1.103) 1.103 20.154 ( 8.117 0.000 0.494) 8.132 20.228 ( -13.265 0.000 -1.452) 13.344 20.310 ( -3.160 0.000 -0.049) 3.161 20.597 ( 2.464 0.000 2.107) 3.242 20.671 ( 4.005 0.000 -3.120) 5.077 20.848 ( 0.440 0.000 0.384) 0.584 20.869 ( -0.749 0.000 -18.320) 18.336 22.149 ( -1.433 0.000 -6.798) 6.947 22.360 ( 0.230 0.000 0.682) 0.720 22.406 ( 0.572 0.000 0.134) 0.588 22.527 ( -0.759 0.000 -0.885) 1.166 22.537 ( -2.217 0.000 -12.830) 13.020 22.883 ( 1.356 0.000 -3.880) 4.110 22.884 ( -0.017 0.000 -0.810) 0.810 23.076 ( -0.019 0.000 0.509) 0.509 23.145 ( 0.572 0.000 -0.484) 0.749 23.774 ( -5.354 0.000 -1.820) 5.655 24.055 ( -6.301 0.000 -6.640) 9.153 24.602 ( 12.777 0.000 10.886) 16.786 24.703 ( -5.401 0.000 30.659) 31.131 24.925 ( -5.123 0.000 6.438) 8.228 25.478 ( -8.482 0.000 -10.574) 13.556 25.800 ( 8.467 0.000 -3.845) 9.299 25.913 ( -0.687 0.000 2.350) 2.448 26.311 ( 11.970 0.000 15.224) 19.366 26.475 ( -1.150 0.000 6.005) 6.114 26.980 ( -2.488 0.000 6.571) 7.026 27.025 ( -7.046 0.000 -8.630) 11.142 27.245 ( -1.741 0.000 -5.154) 5.440 27.840 ( 9.742 0.000 -0.235) 9.745 28.025 ( -3.810 0.000 13.510) 14.037 28.295 ( 2.975 0.000 1.639) 3.397 28.385 ( -2.952 0.000 -1.227) 3.197 28.651 ( -1.565 0.000 0.976) 1.845 29.185 ( 0.948 0.000 0.285) 0.990 29.236 ( 2.645 0.000 -2.975) 3.981 29.281 ( 7.038 0.000 -18.568) 19.857 29.306 ( -0.950 0.000 1.837) 2.068 29.475 ( 10.153 0.000 -4.192) 10.985 29.690 ( 1.546 0.000 -5.119) 5.347 29.999 ( -4.756 0.000 -2.345) 5.302 30.167 ( -4.470 0.000 4.530) 6.364 31.007 ( -45.994 0.000 6.254) 46.417 31.180 ( 3.001 0.000 0.416) 3.030 31.690 ( -1.632 0.000 -6.441) 6.644 31.690 ( 3.792 0.000 13.027) 13.567 31.792 ( -1.546 0.000 -15.273) 15.351 32.147 ( 1.687 0.000 12.682) 12.794 32.616 ( 6.992 0.000 6.571) 9.595 32.730 ( -0.140 0.000 -1.140) 1.149 32.938 ( -3.786 0.000 -1.702) 4.151 33.012 ( 19.641 0.000 -1.860) 19.729 33.515 ( -4.092 0.000 5.503) 6.857 34.081 ( 0.729 0.000 1.768) 1.913 34.446 ( 5.506 0.000 -8.680) 10.279 34.568 ( 2.803 0.000 -5.311) 6.005 37.596 ( 1.623 0.000 1.205) 2.021 37.706 ( 2.848 0.000 2.545) 3.819 37.811 ( -4.380 0.000 -0.905) 4.472 38.329 ( -1.619 0.000 -7.268) 7.446 38.924 ( -0.252 0.000 -0.096) 0.270 38.945 ( 2.001 0.000 0.971) 2.224 39.198 ( 0.706 0.000 2.260) 2.368 39.261 ( -0.251 0.000 0.019) 0.252 39.279 ( -2.799 0.000 -5.963) 6.587 39.413 ( -3.057 0.000 9.075) 9.576 39.565 ( 0.665 0.000 1.653) 1.781 39.631 ( 6.282 0.000 3.239) 7.067 39.745 ( 12.568 0.000 4.768) 13.442 39.749 ( 2.383 0.000 3.920) 4.587 39.839 ( -0.273 0.000 3.138) 3.149 39.983 ( -1.589 0.000 -0.068) 1.591 40.573 ( -6.955 0.000 -3.054) 7.596 41.070 ( 8.546 0.000 -3.082) 9.085 41.095 ( -13.366 0.000 -10.716) 17.132 41.233 ( -14.485 0.000 -17.326) 22.584 41.731 ( -3.469 0.000 0.743) 3.548 42.093 ( 9.083 0.000 14.474) 17.087 42.351 ( 1.511 0.000 -0.570) 1.614 42.623 ( 16.884 0.000 -10.330) 19.793 42.835 ( -3.011 0.000 6.819) 7.454 42.881 ( -33.173 0.000 6.613) 33.826 43.380 ( -4.677 0.000 5.464) 7.193 43.728 ( 4.155 0.000 -4.395) 6.048 43.756 ( 9.281 0.000 -4.330) 10.241 44.459 ( -1.447 0.000 -5.601) 5.785 44.596 ( 4.651 0.000 1.125) 4.785 44.692 ( 29.082 0.000 0.638) 29.089 ======================= Grid point 50 (18/80) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -5.362 0.000 36.092) 36.488 1.572 ( 16.094 0.000 31.017) 34.944 1.844 ( 12.103 0.000 9.095) 15.139 2.034 ( 2.448 0.000 -11.017) 11.286 2.458 ( -11.561 0.000 15.965) 19.712 2.559 ( 0.979 0.000 4.990) 5.085 2.687 ( -1.597 0.000 -0.106) 1.600 2.750 ( 2.745 0.000 5.655) 6.286 2.782 ( 10.646 0.000 14.824) 18.251 2.967 ( 5.221 0.000 -0.209) 5.225 3.120 ( -0.654 0.000 0.031) 0.654 3.140 ( 13.048 0.000 -5.019) 13.980 3.308 ( 10.375 0.000 32.990) 34.583 3.420 ( -5.808 0.000 -12.446) 13.735 3.475 ( 1.139 0.000 1.767) 2.102 3.658 ( -1.853 0.000 -0.198) 1.864 3.734 ( 1.106 0.000 2.426) 2.666 4.071 ( -6.436 0.000 11.457) 13.141 4.201 ( 9.852 0.000 4.395) 10.788 4.243 ( -1.429 0.000 5.408) 5.594 4.323 ( -7.622 0.000 -4.599) 8.902 4.545 ( -8.355 0.000 9.426) 12.596 4.579 ( -3.986 0.000 -4.875) 6.297 4.834 ( -12.380 0.000 6.230) 13.859 4.872 ( 3.713 0.000 2.122) 4.276 4.945 ( 7.423 0.000 5.902) 9.484 4.996 ( 5.609 0.000 -2.850) 6.291 5.244 ( -4.054 0.000 -7.664) 8.671 5.281 ( -8.115 0.000 -14.696) 16.788 5.584 ( -0.707 0.000 2.749) 2.838 5.589 ( -13.968 0.000 -4.582) 14.700 5.770 ( -3.099 0.000 -16.576) 16.863 5.806 ( 0.175 0.000 -12.163) 12.165 5.930 ( -0.244 0.000 -1.370) 1.391 6.049 ( -2.967 0.000 4.430) 5.332 6.240 ( -9.208 0.000 -2.410) 9.518 6.439 ( 2.911 0.000 -3.193) 4.320 6.471 ( -1.458 0.000 4.495) 4.726 6.672 ( 4.600 0.000 -0.275) 4.608 6.887 ( 1.949 0.000 11.187) 11.355 6.922 ( -6.226 0.000 4.026) 7.415 7.122 ( -0.479 0.000 -5.970) 5.989 7.230 ( -7.736 0.000 4.326) 8.863 7.526 ( -6.035 0.000 3.095) 6.783 7.611 ( -7.510 0.000 -1.548) 7.668 7.707 ( 5.698 0.000 4.768) 7.430 7.991 ( 7.723 0.000 13.659) 15.691 8.003 ( -2.966 0.000 -6.590) 7.226 8.072 ( -2.722 0.000 -3.361) 4.325 8.323 ( -7.427 0.000 1.702) 7.620 8.486 ( -1.084 0.000 1.925) 2.209 8.948 ( 6.157 0.000 -8.364) 10.386 8.958 ( -2.266 0.000 6.371) 6.762 9.028 ( 5.057 0.000 -5.514) 7.482 9.130 ( 6.796 0.000 -3.382) 7.591 9.157 ( 8.792 0.000 -13.988) 16.522 9.301 ( 6.576 0.000 13.829) 15.313 9.418 ( -1.045 0.000 -4.919) 5.029 9.504 ( 10.187 0.000 3.252) 10.694 9.557 ( 9.901 0.000 -4.781) 10.995 9.829 ( -14.941 0.000 -16.667) 22.384 10.173 ( -8.121 0.000 2.086) 8.385 10.188 ( 0.176 0.000 -1.108) 1.122 10.348 ( -8.089 0.000 -5.319) 9.681 11.085 ( -0.922 0.000 1.118) 1.449 11.193 ( 2.358 0.000 2.286) 3.284 11.352 ( -6.222 0.000 -6.226) 8.802 11.369 ( 4.941 0.000 3.333) 5.960 11.923 ( 0.338 0.000 1.994) 2.022 12.171 ( -1.981 0.000 -1.160) 2.296 12.255 ( 6.281 0.000 1.755) 6.521 12.298 ( -5.535 0.000 -5.705) 7.949 12.944 ( -1.379 0.000 0.903) 1.648 12.973 ( 4.835 0.000 3.789) 6.143 13.218 ( -4.603 0.000 2.409) 5.196 13.518 ( 3.260 0.000 4.501) 5.558 13.691 ( -4.434 0.000 -2.000) 4.864 13.782 ( -2.634 0.000 -3.290) 4.214 13.812 ( 4.293 0.000 -1.870) 4.683 13.838 ( -2.990 0.000 -3.820) 4.851 14.158 ( 6.744 0.000 -3.133) 7.436 14.266 ( 8.050 0.000 -1.702) 8.228 14.881 ( -1.795 0.000 5.499) 5.785 14.950 ( 2.336 0.000 7.927) 8.264 15.100 ( 1.555 0.000 7.825) 7.978 15.419 ( -1.639 0.000 -1.106) 1.977 15.515 ( -1.431 0.000 -8.367) 8.488 15.576 ( -8.512 0.000 -17.165) 19.160 16.000 ( -0.130 0.000 -0.318) 0.343 16.100 ( -0.141 0.000 3.566) 3.568 16.109 ( -8.672 0.000 4.477) 9.759 16.467 ( 2.488 0.000 1.382) 2.846 16.746 ( 1.681 0.000 2.091) 2.682 17.007 ( -6.360 0.000 -4.496) 7.788 17.335 ( 6.078 0.000 7.659) 9.777 17.487 ( 0.161 0.000 -5.827) 5.829 17.563 ( 2.300 0.000 11.231) 11.464 17.868 ( -5.921 0.000 7.108) 9.251 18.045 ( -7.930 0.000 -2.247) 8.242 18.327 ( 1.482 0.000 0.830) 1.699 18.383 ( 5.144 0.000 3.595) 6.276 18.546 ( 2.641 0.000 0.833) 2.770 18.673 ( -1.391 0.000 -0.027) 1.391 18.677 ( 0.558 0.000 -1.738) 1.825 18.811 ( 1.357 0.000 -3.804) 4.038 18.980 ( 1.848 0.000 3.703) 4.138 19.063 ( 6.882 0.000 1.738) 7.098 19.125 ( 2.387 0.000 -0.034) 2.387 19.170 ( 10.494 0.000 -1.521) 10.603 19.378 ( -5.091 0.000 -4.273) 6.646 19.404 ( 3.091 0.000 1.873) 3.615 19.532 ( 6.460 0.000 3.048) 7.143 19.548 ( -3.221 0.000 -1.555) 3.577 19.729 ( 1.697 0.000 7.490) 7.680 19.972 ( 7.103 0.000 -8.505) 11.081 19.972 ( -9.797 0.000 -1.346) 9.889 20.221 ( -0.004 0.000 0.427) 0.427 20.311 ( 2.855 0.000 1.897) 3.428 20.357 ( 10.558 0.000 1.164) 10.622 20.581 ( -8.242 0.000 -7.225) 10.960 20.727 ( 3.902 0.000 0.001) 3.902 20.771 ( 10.767 0.000 -8.051) 13.444 20.823 ( -1.557 0.000 -1.135) 1.926 21.878 ( -12.568 0.000 -25.228) 28.185 22.360 ( -1.287 0.000 0.899) 1.570 22.420 ( 0.843 0.000 0.031) 0.843 22.427 ( -0.396 0.000 -3.745) 3.766 22.525 ( 0.960 0.000 -1.492) 1.774 22.878 ( 1.377 0.000 -2.654) 2.990 22.886 ( 0.951 0.000 -0.876) 1.293 23.080 ( -0.155 0.000 0.690) 0.707 23.156 ( 0.678 0.000 -0.052) 0.680 23.676 ( -5.154 0.000 0.508) 5.179 23.966 ( -0.623 0.000 -2.000) 2.095 24.600 ( -23.695 0.000 17.468) 29.438 24.995 ( 17.330 0.000 14.396) 22.530 25.032 ( -0.936 0.000 14.493) 14.523 25.379 ( 6.088 0.000 -6.654) 9.019 25.799 ( -0.354 0.000 -6.166) 6.176 25.924 ( 0.622 0.000 -8.792) 8.814 26.487 ( 3.011 0.000 8.664) 9.172 26.728 ( 10.275 0.000 17.609) 20.388 26.866 ( -2.207 0.000 -6.258) 6.636 26.995 ( -1.041 0.000 1.873) 2.142 27.262 ( 4.140 0.000 -4.521) 6.130 27.923 ( 3.757 0.000 -11.036) 11.658 28.073 ( -5.283 0.000 13.659) 14.645 28.309 ( -3.005 0.000 -2.428) 3.863 28.380 ( 3.517 0.000 1.619) 3.872 28.617 ( -2.701 0.000 0.173) 2.707 29.202 ( 0.460 0.000 0.832) 0.950 29.224 ( 8.485 0.000 -11.136) 14.000 29.327 ( 1.093 0.000 2.171) 2.430 29.348 ( 7.406 0.000 -4.165) 8.497 29.505 ( 1.551 0.000 -9.757) 9.879 29.633 ( -2.289 0.000 -5.383) 5.850 29.891 ( -4.430 0.000 -2.419) 5.048 30.192 ( 3.546 0.000 3.907) 5.276 30.713 ( -11.076 0.000 20.295) 23.121 31.266 ( 5.207 0.000 0.566) 5.238 31.501 ( -8.669 0.000 -20.578) 22.329 31.652 ( 2.566 0.000 -2.274) 3.428 31.886 ( -0.397 0.000 19.713) 19.717 32.220 ( -4.894 0.000 8.147) 9.504 32.703 ( -1.171 0.000 -1.370) 1.802 32.755 ( 3.955 0.000 3.651) 5.383 32.822 ( -5.849 0.000 -3.438) 6.785 33.220 ( 9.701 0.000 -5.671) 11.236 33.506 ( -0.395 0.000 1.700) 1.745 34.036 ( -5.505 0.000 1.413) 5.684 34.461 ( 5.089 0.000 -8.897) 10.250 34.590 ( 4.115 0.000 -3.871) 5.650 37.655 ( 3.339 0.000 2.402) 4.113 37.719 ( -4.441 0.000 -0.894) 4.530 37.787 ( 3.039 0.000 2.681) 4.053 38.220 ( -2.938 0.000 -7.661) 8.205 38.915 ( -0.629 0.000 -0.215) 0.665 38.996 ( 3.323 0.000 0.246) 3.332 39.137 ( -4.089 0.000 -1.949) 4.529 39.210 ( -0.854 0.000 -2.806) 2.933 39.391 ( 8.272 0.000 5.643) 10.014 39.430 ( -3.666 0.000 7.408) 8.266 39.562 ( 0.656 0.000 -2.354) 2.443 39.733 ( 1.062 0.000 2.087) 2.341 39.853 ( 5.377 0.000 4.000) 6.702 39.892 ( 2.181 0.000 -2.893) 3.623 39.937 ( 4.753 0.000 9.468) 10.594 40.013 ( 1.687 0.000 5.136) 5.406 40.434 ( -3.055 0.000 -3.256) 4.465 40.748 ( -12.906 0.000 -14.580) 19.471 40.838 ( -15.449 0.000 -10.854) 18.881 41.172 ( 5.681 0.000 -1.059) 5.779 41.715 ( 2.222 0.000 -1.694) 2.794 42.132 ( -11.482 0.000 -2.653) 11.785 42.340 ( -3.136 0.000 1.559) 3.502 42.475 ( -23.984 0.000 33.726) 41.384 42.806 ( -6.474 0.000 5.958) 8.798 42.846 ( 13.880 0.000 -11.952) 18.316 43.260 ( -9.508 0.000 3.334) 10.076 43.792 ( 6.874 0.000 -4.924) 8.455 43.867 ( 5.808 0.000 -2.498) 6.322 44.378 ( -0.190 0.000 -8.431) 8.433 44.691 ( -12.041 0.000 5.313) 13.161 44.697 ( 4.567 0.000 2.438) 5.177 ======================= Grid point 51 (19/80) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 19.665 0.000 9.907) 22.019 1.761 ( 6.022 0.000 -15.553) 16.678 1.960 ( 0.432 0.000 -1.680) 1.735 2.086 ( 2.087 0.000 4.165) 4.658 2.317 ( -12.669 0.000 15.402) 19.943 2.539 ( -2.722 0.000 1.965) 3.357 2.567 ( -17.482 0.000 5.120) 18.216 2.927 ( -2.128 0.000 -6.773) 7.099 2.965 ( -7.612 0.000 10.824) 13.232 3.031 ( 11.661 0.000 11.467) 16.355 3.070 ( -3.420 0.000 -5.236) 6.254 3.217 ( -0.308 0.000 4.390) 4.401 3.307 ( 4.913 0.000 -5.430) 7.323 3.521 ( 1.448 0.000 6.990) 7.138 3.657 ( -2.739 0.000 -1.915) 3.342 3.762 ( -1.278 0.000 -9.467) 9.552 3.861 ( 13.200 0.000 9.899) 16.500 4.049 ( -4.011 0.000 -0.890) 4.108 4.057 ( -9.940 0.000 -16.693) 19.429 4.254 ( -5.544 0.000 -1.969) 5.883 4.317 ( 7.709 0.000 22.709) 23.982 4.406 ( -7.128 0.000 0.228) 7.132 4.570 ( 3.349 0.000 1.122) 3.532 4.774 ( -1.757 0.000 7.492) 7.695 4.883 ( 1.139 0.000 -0.191) 1.154 5.068 ( -8.710 0.000 -4.807) 9.949 5.075 ( 4.326 0.000 -5.637) 7.106 5.142 ( 5.183 0.000 8.663) 10.094 5.208 ( 2.690 0.000 2.847) 3.916 5.325 ( -2.374 0.000 -2.816) 3.684 5.573 ( -1.536 0.000 -3.246) 3.590 5.643 ( -1.717 0.000 -2.071) 2.690 5.746 ( 1.915 0.000 -6.504) 6.780 5.777 ( -16.589 0.000 3.137) 16.883 5.943 ( 3.527 0.000 0.703) 3.596 6.261 ( -0.105 0.000 -10.295) 10.295 6.395 ( -7.184 0.000 -2.186) 7.509 6.558 ( 6.945 0.000 13.953) 15.586 6.684 ( 1.842 0.000 -4.345) 4.719 6.931 ( -4.323 0.000 9.033) 10.014 7.011 ( -2.184 0.000 16.892) 17.033 7.089 ( 3.496 0.000 -3.850) 5.201 7.152 ( -6.968 0.000 3.858) 7.965 7.366 ( -6.015 0.000 -3.126) 6.779 7.630 ( 2.388 0.000 8.029) 8.376 7.815 ( -1.154 0.000 -9.754) 9.822 7.878 ( -4.489 0.000 -1.859) 4.859 7.893 ( 3.104 0.000 0.628) 3.167 8.210 ( -7.687 0.000 0.990) 7.751 8.264 ( 0.090 0.000 4.924) 4.925 8.480 ( -0.497 0.000 -1.580) 1.656 8.961 ( 6.323 0.000 -9.216) 11.177 8.977 ( -2.436 0.000 2.944) 3.821 9.026 ( 1.151 0.000 -4.926) 5.058 9.174 ( 2.338 0.000 -1.745) 2.917 9.178 ( 7.880 0.000 -15.033) 16.973 9.322 ( -0.838 0.000 -6.588) 6.641 9.398 ( -0.939 0.000 -0.795) 1.231 9.619 ( 2.276 0.000 -5.963) 6.382 9.700 ( 8.329 0.000 2.754) 8.773 9.737 ( 4.892 0.000 12.604) 13.520 10.100 ( -2.642 0.000 -8.412) 8.817 10.105 ( -5.527 0.000 9.262) 10.786 10.300 ( 2.202 0.000 1.979) 2.961 11.058 ( -2.087 0.000 -0.188) 2.096 11.219 ( -1.341 0.000 -1.257) 1.838 11.236 ( -1.205 0.000 -0.321) 1.247 11.457 ( 2.596 0.000 1.733) 3.121 11.936 ( -0.333 0.000 0.589) 0.677 12.079 ( -4.438 0.000 -5.405) 6.994 12.237 ( 1.349 0.000 -0.578) 1.467 12.374 ( 4.254 0.000 3.462) 5.484 12.925 ( -1.434 0.000 -0.638) 1.570 13.053 ( 1.207 0.000 2.199) 2.509 13.166 ( -2.378 0.000 1.484) 2.803 13.566 ( -0.457 0.000 1.018) 1.115 13.612 ( -3.548 0.000 -0.496) 3.582 13.741 ( 0.009 0.000 -1.973) 1.973 13.777 ( 0.131 0.000 -2.771) 2.774 13.865 ( 2.858 0.000 -1.280) 3.132 14.279 ( 8.488 0.000 -1.329) 8.591 14.379 ( 7.047 0.000 -3.328) 7.793 14.819 ( -7.349 0.000 -2.220) 7.677 15.000 ( -3.064 0.000 5.350) 6.165 15.136 ( -3.687 0.000 0.028) 3.687 15.326 ( -2.313 0.000 -1.685) 2.862 15.492 ( 3.913 0.000 1.116) 4.069 15.493 ( 2.520 0.000 3.325) 4.172 15.901 ( -2.750 0.000 -4.371) 5.164 16.127 ( 1.589 0.000 0.476) 1.659 16.153 ( -1.779 0.000 14.926) 15.032 16.525 ( 0.662 0.000 5.307) 5.348 16.838 ( -3.924 0.000 -11.241) 11.906 16.851 ( 3.541 0.000 1.635) 3.900 17.345 ( -4.020 0.000 -4.956) 6.381 17.494 ( 4.790 0.000 3.968) 6.220 17.612 ( -4.165 0.000 6.658) 7.853 17.829 ( -5.323 0.000 5.635) 7.751 17.986 ( -0.602 0.000 0.490) 0.777 18.364 ( 0.692 0.000 -0.104) 0.700 18.409 ( -0.844 0.000 -2.802) 2.927 18.623 ( -0.137 0.000 1.494) 1.500 18.644 ( -2.483 0.000 -0.096) 2.485 18.755 ( -0.964 0.000 -2.994) 3.145 18.759 ( 10.302 0.000 6.903) 12.400 18.964 ( -6.220 0.000 -0.663) 6.255 19.167 ( 2.347 0.000 -0.172) 2.353 19.173 ( 4.585 0.000 0.087) 4.586 19.274 ( -2.657 0.000 -1.683) 3.145 19.305 ( 6.226 0.000 -4.463) 7.660 19.424 ( -4.575 0.000 -2.599) 5.262 19.515 ( 7.244 0.000 -6.808) 9.941 19.664 ( 4.444 0.000 2.070) 4.903 19.808 ( -5.691 0.000 -1.911) 6.003 19.924 ( 8.461 0.000 11.023) 13.896 20.029 ( 7.070 0.000 -10.543) 12.693 20.202 ( -0.549 0.000 -1.702) 1.789 20.244 ( -12.678 0.000 -7.823) 14.897 20.366 ( 0.595 0.000 0.164) 0.617 20.570 ( 6.976 0.000 -1.372) 7.110 20.787 ( 1.564 0.000 0.574) 1.666 20.825 ( 1.024 0.000 5.515) 5.609 20.966 ( 13.677 0.000 -2.855) 13.972 21.441 ( -7.495 0.000 -24.335) 25.463 22.340 ( -1.535 0.000 0.908) 1.783 22.432 ( 0.724 0.000 -0.386) 0.820 22.437 ( 1.632 0.000 2.108) 2.666 22.531 ( 0.969 0.000 -0.753) 1.227 22.882 ( 1.587 0.000 -2.327) 2.817 22.897 ( 1.074 0.000 -0.753) 1.311 23.082 ( -0.379 0.000 0.566) 0.681 23.165 ( 0.550 0.000 -0.242) 0.601 23.627 ( -2.195 0.000 3.978) 4.544 23.972 ( 1.372 0.000 0.684) 1.534 24.329 ( -19.342 0.000 7.944) 20.910 25.106 ( -5.129 0.000 16.552) 17.329 25.300 ( 4.004 0.000 0.846) 4.092 25.475 ( 6.756 0.000 -1.300) 6.880 25.762 ( 2.831 0.000 -2.880) 4.039 25.827 ( -0.015 0.000 -5.010) 5.010 26.633 ( 0.660 0.000 16.001) 16.014 26.826 ( 2.377 0.000 -4.280) 4.896 26.885 ( -4.895 0.000 -5.173) 7.121 27.030 ( 4.423 0.000 8.582) 9.654 27.293 ( 3.682 0.000 -3.125) 4.829 27.859 ( 2.713 0.000 -10.065) 10.424 28.051 ( -6.502 0.000 5.386) 8.443 28.290 ( -0.586 0.000 5.192) 5.225 28.421 ( 0.602 0.000 0.221) 0.641 28.577 ( -1.673 0.000 0.186) 1.683 29.212 ( -0.240 0.000 0.451) 0.510 29.323 ( 10.934 0.000 -7.550) 13.288 29.365 ( 0.631 0.000 2.533) 2.610 29.400 ( -2.877 0.000 -8.024) 8.524 29.430 ( 5.683 0.000 -4.987) 7.560 29.542 ( -1.937 0.000 -6.504) 6.786 29.835 ( -1.265 0.000 1.732) 2.145 30.323 ( 4.698 0.000 9.082) 10.225 30.809 ( 2.126 0.000 15.111) 15.260 31.166 ( -8.608 0.000 -22.087) 23.705 31.344 ( 3.373 0.000 1.402) 3.653 31.741 ( 7.574 0.000 0.312) 7.581 32.039 ( -3.749 0.000 24.415) 24.701 32.101 ( -11.835 0.000 -0.989) 11.877 32.677 ( -1.062 0.000 -1.648) 1.961 32.734 ( -1.540 0.000 0.559) 1.638 32.803 ( 0.444 0.000 -1.785) 1.840 33.296 ( 2.878 0.000 0.935) 3.026 33.523 ( 4.185 0.000 -6.409) 7.654 33.949 ( -6.195 0.000 2.034) 6.521 34.461 ( 4.353 0.000 -9.896) 10.811 34.629 ( 3.513 0.000 -2.790) 4.486 37.647 ( -2.222 0.000 -2.020) 3.003 37.725 ( 1.920 0.000 0.905) 2.122 37.855 ( 1.102 0.000 4.366) 4.502 38.132 ( 0.013 0.000 -4.200) 4.200 38.903 ( -0.362 0.000 -0.169) 0.399 39.049 ( 1.589 0.000 -4.048) 4.349 39.064 ( -1.184 0.000 1.655) 2.035 39.200 ( 0.621 0.000 0.502) 0.799 39.402 ( -4.184 0.000 1.812) 4.560 39.550 ( 1.614 0.000 -4.917) 5.176 39.595 ( 9.268 0.000 4.572) 10.335 39.752 ( -1.799 0.000 3.237) 3.703 39.876 ( 1.274 0.000 -4.170) 4.360 39.917 ( 2.136 0.000 -2.050) 2.960 39.941 ( -10.846 0.000 -0.862) 10.880 40.104 ( 0.918 0.000 6.948) 7.009 40.460 ( -2.583 0.000 -1.015) 2.775 40.483 ( -2.792 0.000 -7.643) 8.137 40.613 ( -0.311 0.000 7.425) 7.432 41.254 ( 2.715 0.000 4.053) 4.878 41.783 ( 8.308 0.000 -3.294) 8.937 41.880 ( -15.309 0.000 6.034) 16.455 42.267 ( -8.027 0.000 2.825) 8.509 42.418 ( -15.198 0.000 20.619) 25.615 42.740 ( -5.563 0.000 3.850) 6.765 42.917 ( 7.473 0.000 -13.438) 15.376 43.169 ( -2.193 0.000 -0.038) 2.193 43.857 ( 6.361 0.000 -6.831) 9.334 43.881 ( -0.305 0.000 -4.935) 4.945 44.338 ( 4.439 0.000 -8.310) 9.422 44.541 ( -11.983 0.000 5.886) 13.351 44.763 ( 1.398 0.000 -0.290) 1.427 ======================= Grid point 52 (20/80) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 8.767 0.000 -14.185) 16.675 1.792 ( 9.749 0.000 -14.898) 17.805 1.935 ( -0.169 0.000 -0.187) 0.253 1.960 ( -16.383 0.000 -11.689) 20.125 2.262 ( -2.907 0.000 -7.478) 8.023 2.301 ( -12.444 0.000 19.168) 22.853 2.533 ( -0.287 0.000 -0.468) 0.549 2.830 ( -7.841 0.000 2.955) 8.379 2.886 ( -11.411 0.000 6.354) 13.060 2.937 ( -1.923 0.000 -7.843) 8.075 2.974 ( -24.329 0.000 -32.699) 40.757 3.175 ( -1.481 0.000 -4.274) 4.523 3.236 ( -6.320 0.000 -17.655) 18.752 3.400 ( 5.702 0.000 4.643) 7.353 3.587 ( -2.266 0.000 5.475) 5.926 3.681 ( -5.689 0.000 -4.185) 7.063 3.935 ( -2.830 0.000 -3.647) 4.617 3.954 ( 7.399 0.000 1.496) 7.548 4.093 ( -7.626 0.000 6.089) 9.759 4.116 ( 9.540 0.000 -1.473) 9.653 4.305 ( -2.849 0.000 3.100) 4.211 4.584 ( -1.173 0.000 -0.855) 1.451 4.675 ( -5.285 0.000 15.232) 16.122 4.874 ( -0.525 0.000 17.154) 17.162 4.977 ( 2.493 0.000 0.059) 2.493 4.988 ( 5.712 0.000 8.274) 10.054 5.070 ( 0.099 0.000 -3.767) 3.768 5.274 ( -1.885 0.000 5.946) 6.237 5.311 ( 3.443 0.000 6.846) 7.663 5.448 ( 18.313 0.000 9.700) 20.723 5.470 ( -2.850 0.000 -10.557) 10.935 5.633 ( -2.556 0.000 18.673) 18.847 5.738 ( 4.957 0.000 -6.948) 8.535 5.792 ( 8.212 0.000 2.415) 8.560 6.063 ( 4.484 0.000 7.878) 9.065 6.123 ( -3.268 0.000 -7.133) 7.846 6.232 ( -6.349 0.000 -7.091) 9.518 6.698 ( 0.298 0.000 -2.354) 2.373 6.749 ( 7.280 0.000 0.442) 7.294 6.845 ( -8.163 0.000 1.297) 8.266 7.042 ( -6.681 0.000 -0.506) 6.701 7.092 ( -2.160 0.000 14.693) 14.851 7.159 ( 3.927 0.000 0.444) 3.952 7.419 ( 7.176 0.000 8.437) 11.076 7.622 ( -3.763 0.000 -18.027) 18.415 7.657 ( -6.199 0.000 8.328) 10.382 7.971 ( 7.878 0.000 12.226) 14.544 7.987 ( -4.985 0.000 -2.204) 5.450 8.078 ( -4.975 0.000 -1.061) 5.087 8.136 ( -1.898 0.000 -2.560) 3.187 8.403 ( -3.135 0.000 -10.214) 10.684 8.897 ( -6.504 0.000 -2.313) 6.903 8.935 ( 1.596 0.000 -10.244) 10.368 9.073 ( 5.158 0.000 -5.723) 7.704 9.180 ( 7.783 0.000 -13.389) 15.487 9.208 ( 2.532 0.000 0.656) 2.616 9.298 ( 4.005 0.000 -1.893) 4.430 9.504 ( 2.494 0.000 6.099) 6.590 9.554 ( -1.075 0.000 -7.738) 7.812 9.767 ( 0.099 0.000 -4.689) 4.690 9.904 ( 3.876 0.000 12.194) 12.795 10.113 ( 6.556 0.000 1.178) 6.661 10.147 ( -2.565 0.000 16.088) 16.291 10.309 ( -2.993 0.000 -0.034) 2.994 11.040 ( 0.280 0.000 0.186) 0.336 11.207 ( 0.449 0.000 0.809) 0.925 11.272 ( 4.317 0.000 2.368) 4.924 11.471 ( -2.478 0.000 0.079) 2.479 11.916 ( -2.034 0.000 -0.779) 2.179 12.002 ( 2.000 0.000 -5.055) 5.436 12.286 ( 2.848 0.000 2.396) 3.722 12.432 ( -1.715 0.000 3.150) 3.587 12.881 ( -0.852 0.000 -3.030) 3.148 13.055 ( -1.876 0.000 -0.252) 1.893 13.181 ( 0.634 0.000 3.850) 3.902 13.535 ( -2.427 0.000 -1.653) 2.936 13.584 ( 1.332 0.000 0.187) 1.345 13.731 ( 0.222 0.000 -1.662) 1.677 13.794 ( 2.565 0.000 -0.061) 2.565 13.865 ( -0.076 0.000 -2.970) 2.971 14.361 ( 0.643 0.000 -1.328) 1.476 14.430 ( 2.140 0.000 -3.726) 4.297 14.676 ( -3.117 0.000 -4.241) 5.263 14.934 ( -7.989 0.000 -0.189) 7.991 15.032 ( -3.082 0.000 -3.936) 4.999 15.379 ( 4.450 0.000 6.808) 8.134 15.596 ( 5.464 0.000 -1.353) 5.629 15.628 ( 5.326 0.000 8.919) 10.388 15.906 ( 1.520 0.000 12.203) 12.297 16.169 ( 0.929 0.000 3.394) 3.519 16.282 ( 0.574 0.000 18.504) 18.513 16.470 ( -9.724 0.000 -6.532) 11.714 16.696 ( -0.360 0.000 -13.736) 13.740 16.850 ( 0.932 0.000 3.208) 3.340 17.438 ( 9.118 0.000 6.300) 11.082 17.453 ( -4.906 0.000 -11.295) 12.315 17.635 ( -1.806 0.000 5.783) 6.059 17.807 ( -3.695 0.000 10.161) 10.812 17.966 ( -1.393 0.000 -1.346) 1.937 18.306 ( -3.010 0.000 -5.650) 6.401 18.352 ( -1.708 0.000 -5.049) 5.330 18.615 ( -1.276 0.000 0.630) 1.423 18.659 ( 2.267 0.000 3.329) 4.028 18.738 ( 1.446 0.000 -2.842) 3.189 18.800 ( -8.850 0.000 -0.948) 8.900 18.978 ( 4.609 0.000 3.992) 6.097 19.218 ( 4.318 0.000 2.376) 4.929 19.221 ( 1.026 0.000 -0.775) 1.285 19.246 ( -0.594 0.000 0.104) 0.603 19.312 ( -0.373 0.000 -4.488) 4.503 19.404 ( 5.069 0.000 -3.421) 6.115 19.470 ( 0.219 0.000 -13.391) 13.392 19.587 ( -6.141 0.000 -5.963) 8.559 19.741 ( -17.887 0.000 -12.824) 22.009 19.870 ( 6.567 0.000 3.396) 7.393 20.071 ( -0.112 0.000 -5.947) 5.948 20.187 ( -0.020 0.000 0.153) 0.154 20.308 ( 13.274 0.000 9.008) 16.042 20.343 ( -1.553 0.000 -1.247) 1.991 20.594 ( -2.395 0.000 -3.667) 4.380 20.788 ( -0.685 0.000 -1.515) 1.663 20.913 ( -0.385 0.000 9.775) 9.782 20.987 ( 1.919 0.000 -14.426) 14.553 21.471 ( 20.167 0.000 -2.686) 20.345 22.329 ( -0.649 0.000 1.000) 1.193 22.434 ( -0.022 0.000 -0.694) 0.695 22.508 ( 2.976 0.000 4.251) 5.189 22.547 ( 1.179 0.000 0.072) 1.182 22.889 ( 1.597 0.000 -2.490) 2.958 22.905 ( 0.570 0.000 -0.653) 0.867 23.077 ( -0.461 0.000 0.267) 0.533 23.171 ( 0.576 0.000 -0.578) 0.816 23.699 ( 4.571 0.000 9.777) 10.793 24.015 ( 1.790 0.000 3.327) 3.778 24.114 ( -11.290 0.000 3.075) 11.702 25.098 ( -12.817 0.000 -17.810) 21.943 25.148 ( -8.584 0.000 19.558) 21.359 25.569 ( 4.445 0.000 2.270) 4.991 25.759 ( 2.208 0.000 -3.114) 3.818 25.982 ( 9.457 0.000 6.009) 11.205 26.622 ( -12.260 0.000 -17.133) 21.068 26.747 ( -5.178 0.000 16.123) 16.934 26.852 ( 4.318 0.000 -3.827) 5.770 27.114 ( -2.898 0.000 5.569) 6.278 27.334 ( 2.292 0.000 0.397) 2.326 27.930 ( 14.177 0.000 -4.092) 14.756 27.990 ( -4.740 0.000 4.003) 6.204 28.343 ( 0.024 0.000 6.732) 6.732 28.407 ( -1.290 0.000 -1.933) 2.324 28.574 ( 0.649 0.000 1.189) 1.355 29.198 ( -0.846 0.000 -1.114) 1.399 29.280 ( -1.911 0.000 -8.245) 8.463 29.374 ( 0.403 0.000 -11.668) 11.675 29.382 ( -1.453 0.000 2.689) 3.057 29.449 ( 4.917 0.000 -6.741) 8.343 29.520 ( 4.592 0.000 -2.969) 5.468 29.884 ( 2.333 0.000 6.658) 7.055 30.503 ( 0.145 0.000 20.811) 20.812 30.838 ( -8.260 0.000 -14.207) 16.434 31.018 ( 9.811 0.000 6.107) 11.556 31.409 ( 0.632 0.000 3.519) 3.576 31.818 ( -3.257 0.000 -2.763) 4.272 31.911 ( -0.840 0.000 -3.515) 3.614 32.184 ( -3.993 0.000 24.402) 24.727 32.653 ( 0.911 0.000 -1.623) 1.861 32.739 ( -3.216 0.000 -7.155) 7.844 32.770 ( 2.502 0.000 3.791) 4.542 33.355 ( 1.403 0.000 4.300) 4.524 33.516 ( 4.722 0.000 -14.249) 15.011 33.866 ( -5.848 0.000 2.896) 6.525 34.441 ( 3.900 0.000 -10.364) 11.074 34.651 ( 1.942 0.000 -3.286) 3.817 37.612 ( 0.133 0.000 -1.966) 1.970 37.706 ( -2.513 0.000 -3.002) 3.915 37.895 ( -1.088 0.000 4.689) 4.813 38.180 ( 6.232 0.000 1.670) 6.452 38.903 ( 0.339 0.000 0.176) 0.382 38.994 ( -1.279 0.000 -3.648) 3.866 39.110 ( 1.924 0.000 1.865) 2.679 39.234 ( 1.623 0.000 2.942) 3.360 39.324 ( -4.317 0.000 -2.290) 4.887 39.540 ( 2.901 0.000 -5.547) 6.259 39.669 ( -5.294 0.000 -3.585) 6.393 39.710 ( -4.261 0.000 -1.393) 4.483 39.777 ( -0.920 0.000 -7.268) 7.326 39.882 ( -3.753 0.000 -6.074) 7.140 39.934 ( 6.168 0.000 6.025) 8.622 40.040 ( -5.404 0.000 0.887) 5.477 40.315 ( -7.977 0.000 -0.129) 7.978 40.571 ( 9.369 0.000 3.694) 10.071 40.858 ( 7.250 0.000 20.312) 21.567 41.342 ( 1.021 0.000 8.856) 8.914 41.740 ( -9.059 0.000 7.960) 12.059 41.925 ( 9.999 0.000 -2.173) 10.233 42.124 ( -9.647 0.000 1.604) 9.779 42.309 ( -11.866 0.000 11.338) 16.412 42.702 ( -1.769 0.000 2.166) 2.797 42.853 ( -0.239 0.000 -15.583) 15.585 43.197 ( 5.325 0.000 -0.832) 5.390 43.802 ( -0.535 0.000 -9.886) 9.901 43.883 ( 3.987 0.000 -7.676) 8.650 44.357 ( -13.925 0.000 1.448) 14.001 44.375 ( 5.618 0.000 -4.269) 7.056 44.732 ( -1.985 0.000 -4.904) 5.291 ======================= Grid point 53 (21/80) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -36.739 0.000 -18.063) 40.939 1.247 ( -10.104 0.000 -3.526) 10.701 1.512 ( -45.460 0.000 -46.710) 65.180 1.939 ( -1.004 0.000 -12.361) 12.402 2.099 ( 22.761 0.000 -12.542) 25.987 2.278 ( 11.474 0.000 -13.134) 17.441 2.571 ( -1.880 0.000 14.289) 14.412 2.580 ( -13.862 0.000 -4.049) 14.441 2.725 ( 2.405 0.000 -2.749) 3.652 2.861 ( -10.151 0.000 10.612) 14.686 2.886 ( 2.763 0.000 -7.986) 8.451 3.069 ( 4.996 0.000 2.820) 5.737 3.213 ( 2.028 0.000 10.157) 10.357 3.466 ( -8.396 0.000 -10.981) 13.823 3.471 ( 3.343 0.000 0.361) 3.362 3.582 ( -4.237 0.000 6.087) 7.417 3.824 ( -2.819 0.000 -17.670) 17.894 3.983 ( 3.838 0.000 7.905) 8.787 4.140 ( 2.818 0.000 -12.449) 12.765 4.329 ( -0.901 0.000 6.084) 6.150 4.344 ( 0.394 0.000 21.456) 21.460 4.614 ( -8.511 0.000 7.071) 11.065 4.641 ( 6.912 0.000 10.295) 12.400 4.829 ( -10.881 0.000 2.138) 11.089 4.958 ( -9.811 0.000 -1.593) 9.939 5.038 ( -0.455 0.000 14.209) 14.216 5.131 ( -0.616 0.000 3.967) 4.014 5.322 ( 2.822 0.000 -11.769) 12.102 5.439 ( 7.314 0.000 9.884) 12.295 5.483 ( 5.485 0.000 12.249) 13.421 5.740 ( 2.742 0.000 -1.203) 2.994 5.786 ( 1.092 0.000 11.033) 11.087 5.822 ( 9.765 0.000 -4.240) 10.646 5.932 ( 8.561 0.000 3.340) 9.189 6.052 ( -5.093 0.000 -13.394) 14.330 6.182 ( -0.626 0.000 10.553) 10.571 6.249 ( 16.659 0.000 9.574) 19.214 6.583 ( -4.013 0.000 -7.627) 8.618 6.702 ( -5.043 0.000 -1.141) 5.170 6.906 ( -8.597 0.000 -0.456) 8.609 6.958 ( 10.973 0.000 5.685) 12.359 7.197 ( 0.209 0.000 -1.221) 1.239 7.250 ( 7.347 0.000 9.995) 12.405 7.392 ( -2.791 0.000 -17.286) 17.510 7.600 ( 4.324 0.000 4.842) 6.491 7.677 ( -4.334 0.000 15.155) 15.763 7.734 ( -10.815 0.000 -3.602) 11.400 8.140 ( 3.479 0.000 2.917) 4.540 8.155 ( 4.731 0.000 -0.250) 4.737 8.183 ( 7.912 0.000 -1.600) 8.073 8.264 ( -0.329 0.000 -6.723) 6.731 8.766 ( -4.617 0.000 -3.659) 5.891 8.860 ( -0.027 0.000 -9.146) 9.146 9.091 ( 1.416 0.000 -1.310) 1.929 9.172 ( 6.615 0.000 -16.769) 18.027 9.249 ( 1.045 0.000 -0.025) 1.046 9.346 ( -7.254 0.000 0.607) 7.279 9.455 ( 0.200 0.000 -2.605) 2.612 9.479 ( -2.974 0.000 -4.132) 5.091 9.653 ( -5.530 0.000 -10.886) 12.210 10.136 ( 6.019 0.000 11.697) 13.155 10.210 ( 1.042 0.000 -1.826) 2.103 10.269 ( 0.879 0.000 4.843) 4.922 10.300 ( 5.780 0.000 15.275) 16.332 11.060 ( 1.083 0.000 0.897) 1.406 11.175 ( -3.635 0.000 -3.083) 4.766 11.375 ( -6.857 0.000 -2.234) 7.212 11.446 ( 9.498 0.000 7.032) 11.817 11.856 ( -3.258 0.000 -2.270) 3.971 12.059 ( 7.074 0.000 -1.700) 7.276 12.359 ( -7.371 0.000 -0.697) 7.403 12.366 ( 3.259 0.000 3.699) 4.930 12.877 ( 2.402 0.000 -0.793) 2.529 12.984 ( -4.687 0.000 -2.681) 5.399 13.226 ( -0.129 0.000 5.013) 5.015 13.462 ( -3.566 0.000 -2.417) 4.308 13.663 ( 6.068 0.000 1.771) 6.322 13.716 ( 0.638 0.000 -2.484) 2.565 13.840 ( 2.697 0.000 -0.360) 2.721 13.858 ( 1.958 0.000 -1.593) 2.524 14.271 ( -7.057 0.000 -2.750) 7.574 14.377 ( -5.001 0.000 -2.723) 5.695 14.663 ( 1.605 0.000 0.374) 1.648 14.796 ( -3.701 0.000 -4.277) 5.656 14.976 ( -2.740 0.000 1.378) 3.068 15.534 ( 3.641 0.000 8.822) 9.544 15.618 ( 4.669 0.000 -9.279) 10.387 15.794 ( 3.541 0.000 9.313) 9.963 16.108 ( -11.705 0.000 -2.746) 12.022 16.159 ( 7.118 0.000 22.723) 23.811 16.290 ( 1.520 0.000 -3.831) 4.121 16.500 ( 2.796 0.000 18.630) 18.839 16.580 ( 1.750 0.000 -8.870) 9.041 16.957 ( 2.168 0.000 10.565) 10.785 17.206 ( -9.918 0.000 -14.201) 17.322 17.505 ( -4.410 0.000 -7.266) 8.500 17.591 ( -1.409 0.000 -7.312) 7.447 17.874 ( -3.765 0.000 15.721) 16.166 18.016 ( 8.919 0.000 3.340) 9.524 18.232 ( 0.872 0.000 -6.315) 6.375 18.264 ( -2.685 0.000 -5.718) 6.317 18.594 ( -1.877 0.000 0.611) 1.974 18.692 ( -2.955 0.000 0.699) 3.037 18.706 ( 0.828 0.000 -0.974) 1.279 18.775 ( 4.876 0.000 0.047) 4.876 18.986 ( -2.633 0.000 -0.750) 2.738 19.172 ( -11.104 0.000 -7.446) 13.370 19.196 ( -4.630 0.000 1.194) 4.782 19.219 ( -3.899 0.000 -5.637) 6.853 19.263 ( -0.204 0.000 -14.077) 14.079 19.369 ( 5.671 0.000 2.732) 6.295 19.442 ( -3.930 0.000 -5.745) 6.960 19.468 ( -3.705 0.000 -0.013) 3.705 19.546 ( 8.380 0.000 2.585) 8.770 19.995 ( 6.476 0.000 -0.481) 6.494 19.999 ( -0.411 0.000 -7.771) 7.782 20.223 ( 1.253 0.000 7.115) 7.224 20.321 ( -0.801 0.000 1.374) 1.590 20.437 ( -9.189 0.000 -4.967) 10.445 20.527 ( 4.780 0.000 1.277) 4.948 20.741 ( -1.919 0.000 -3.708) 4.175 20.951 ( -3.392 0.000 5.762) 6.687 20.964 ( 6.766 0.000 -9.444) 11.617 21.822 ( 20.371 0.000 -0.777) 20.386 22.334 ( 0.111 0.000 1.039) 1.045 22.420 ( -0.677 0.000 -0.929) 1.150 22.569 ( 1.081 0.000 0.200) 1.099 22.587 ( 3.090 0.000 1.076) 3.272 22.892 ( 1.586 0.000 -2.966) 3.364 22.906 ( 0.196 0.000 -0.567) 0.600 23.074 ( -0.193 0.000 0.327) 0.379 23.171 ( 0.296 0.000 -1.441) 1.471 23.951 ( 8.369 0.000 8.990) 12.282 23.997 ( -2.440 0.000 8.467) 8.812 24.104 ( 3.719 0.000 7.347) 8.234 24.699 ( -13.324 0.000 -18.481) 22.783 25.140 ( -12.606 0.000 19.530) 23.246 25.696 ( 4.879 0.000 10.254) 11.355 25.789 ( 2.905 0.000 -1.639) 3.335 26.117 ( 3.626 0.000 -3.044) 4.735 26.215 ( -13.616 0.000 -22.366) 26.185 26.720 ( -11.648 0.000 9.942) 15.314 26.906 ( 7.683 0.000 -6.578) 10.114 27.057 ( -7.279 0.000 4.519) 8.568 27.375 ( -0.054 0.000 5.222) 5.222 27.966 ( -3.492 0.000 6.692) 7.549 28.210 ( 16.369 0.000 -4.320) 16.930 28.366 ( 2.110 0.000 -6.207) 6.555 28.394 ( -0.006 0.000 4.648) 4.648 28.611 ( 1.524 0.000 2.151) 2.636 29.175 ( -0.172 0.000 -1.580) 1.590 29.201 ( -2.400 0.000 -6.179) 6.629 29.219 ( -0.569 0.000 -13.327) 13.339 29.363 ( -3.155 0.000 2.385) 3.955 29.452 ( 4.210 0.000 -12.142) 12.851 29.587 ( 4.166 0.000 0.442) 4.189 29.996 ( 2.435 0.000 7.434) 7.823 30.458 ( -14.688 0.000 1.187) 14.736 30.883 ( 11.025 0.000 20.316) 23.115 31.270 ( 9.951 0.000 13.225) 16.550 31.345 ( -8.042 0.000 -3.028) 8.593 31.781 ( 1.255 0.000 5.488) 5.629 31.908 ( 1.952 0.000 -5.563) 5.896 32.313 ( -3.365 0.000 17.029) 17.358 32.589 ( -4.754 0.000 -8.914) 10.103 32.681 ( 2.933 0.000 -0.573) 2.988 32.867 ( 4.255 0.000 4.250) 6.014 33.324 ( 0.044 0.000 -32.211) 32.211 33.469 ( -1.006 0.000 7.303) 7.372 33.821 ( -3.332 0.000 6.842) 7.611 34.423 ( 4.467 0.000 -9.812) 10.781 34.635 ( 0.440 0.000 -4.965) 4.984 37.615 ( 1.818 0.000 -1.453) 2.327 37.628 ( -2.652 0.000 -3.132) 4.104 37.901 ( -2.621 0.000 4.257) 4.999 38.321 ( 7.320 0.000 1.347) 7.442 38.914 ( 0.590 0.000 0.287) 0.656 38.945 ( -1.185 0.000 -2.780) 3.022 39.166 ( 2.080 0.000 4.257) 4.738 39.236 ( -2.868 0.000 -3.005) 4.155 39.308 ( 3.305 0.000 4.776) 5.808 39.512 ( -8.468 0.000 -0.426) 8.479 39.551 ( 1.709 0.000 -6.556) 6.775 39.592 ( -2.729 0.000 -5.439) 6.085 39.687 ( 0.009 0.000 -15.326) 15.326 39.740 ( -6.234 0.000 -1.992) 6.545 39.978 ( -5.156 0.000 1.670) 5.419 40.075 ( 0.212 0.000 3.023) 3.030 40.274 ( 1.478 0.000 14.297) 14.373 40.760 ( 10.527 0.000 0.040) 10.527 41.129 ( 1.152 0.000 23.792) 23.819 41.414 ( -2.805 0.000 8.257) 8.720 41.667 ( -6.189 0.000 3.659) 7.190 41.931 ( -9.029 0.000 3.350) 9.630 42.134 ( 10.324 0.000 -2.010) 10.518 42.316 ( 0.765 0.000 18.847) 18.862 42.665 ( -2.558 0.000 -20.150) 20.311 42.720 ( 1.676 0.000 2.358) 2.893 43.293 ( 5.261 0.000 -0.504) 5.285 43.714 ( 2.140 0.000 -12.580) 12.760 43.858 ( -0.355 0.000 -5.226) 5.238 44.095 ( -15.185 0.000 -3.355) 15.551 44.438 ( 3.555 0.000 0.204) 3.560 44.637 ( -1.757 0.000 -8.075) 8.264 ======================= Grid point 54 (22/80) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( -24.413 0.000 -0.151) 24.414 0.535 ( -24.358 0.000 6.832) 25.298 1.065 ( -24.335 0.000 22.731) 33.300 1.850 ( 4.758 0.000 -7.413) 8.809 2.153 ( 2.365 0.000 -15.839) 16.014 2.444 ( 16.071 0.000 -11.621) 19.832 2.541 ( 8.574 0.000 3.377) 9.215 2.566 ( -4.164 0.000 7.355) 8.452 2.803 ( 3.467 0.000 9.906) 10.496 2.881 ( 4.006 0.000 -6.873) 7.955 2.912 ( 1.134 0.000 7.207) 7.296 3.230 ( -3.857 0.000 8.954) 9.750 3.284 ( 7.610 0.000 -16.650) 18.307 3.306 ( -3.648 0.000 8.960) 9.675 3.511 ( -2.715 0.000 1.464) 3.085 3.595 ( -3.334 0.000 12.129) 12.579 3.706 ( 9.005 0.000 -11.473) 14.585 4.051 ( 1.305 0.000 -14.936) 14.993 4.097 ( -2.061 0.000 10.004) 10.214 4.349 ( -3.657 0.000 4.902) 6.115 4.442 ( -1.994 0.000 11.890) 12.056 4.530 ( -7.241 0.000 7.031) 10.093 4.728 ( -2.088 0.000 2.724) 3.432 4.746 ( -7.882 0.000 -4.590) 9.121 4.843 ( -3.034 0.000 13.867) 14.195 5.004 ( -2.415 0.000 -14.014) 14.221 5.141 ( -5.703 0.000 15.664) 16.670 5.419 ( 6.989 0.000 5.056) 8.626 5.525 ( -1.379 0.000 -0.062) 1.380 5.655 ( -1.380 0.000 4.444) 4.653 5.746 ( 2.564 0.000 3.481) 4.323 5.832 ( -2.008 0.000 -5.547) 5.899 5.920 ( 0.142 0.000 5.630) 5.632 5.968 ( 8.377 0.000 -6.195) 10.418 6.035 ( 5.239 0.000 -6.066) 8.015 6.225 ( -2.533 0.000 8.156) 8.540 6.339 ( 2.221 0.000 -12.974) 13.163 6.655 ( -0.356 0.000 -0.724) 0.807 6.689 ( 4.091 0.000 5.315) 6.708 6.829 ( 1.283 0.000 3.703) 3.919 7.097 ( -4.144 0.000 -2.154) 4.670 7.176 ( 6.857 0.000 -4.486) 8.194 7.373 ( 8.667 0.000 3.202) 9.239 7.504 ( 12.233 0.000 8.151) 14.700 7.600 ( -3.788 0.000 0.931) 3.901 7.620 ( -4.776 0.000 3.573) 5.965 7.708 ( -0.891 0.000 7.195) 7.250 8.178 ( -3.295 0.000 -4.819) 5.838 8.185 ( 1.798 0.000 -1.859) 2.586 8.322 ( 11.255 0.000 5.897) 12.706 8.372 ( 11.455 0.000 3.024) 11.847 8.640 ( -7.323 0.000 -12.058) 14.107 8.791 ( -1.890 0.000 -3.576) 4.045 9.042 ( -9.115 0.000 -0.214) 9.117 9.126 ( 4.375 0.000 -11.152) 11.980 9.183 ( -0.257 0.000 -6.838) 6.843 9.193 ( -7.863 0.000 -3.654) 8.671 9.358 ( -3.808 0.000 -0.945) 3.923 9.426 ( -6.261 0.000 -8.571) 10.614 9.488 ( 2.833 0.000 -3.823) 4.758 10.226 ( 2.177 0.000 -1.792) 2.820 10.259 ( -0.983 0.000 8.337) 8.395 10.340 ( 0.745 0.000 8.507) 8.539 10.500 ( 3.466 0.000 0.476) 3.499 11.058 ( -3.639 0.000 -2.912) 4.660 11.096 ( 1.772 0.000 2.203) 2.827 11.235 ( -5.723 0.000 -2.408) 6.209 11.618 ( 2.620 0.000 0.112) 2.622 11.805 ( 0.832 0.000 1.364) 1.598 12.164 ( 4.958 0.000 -0.544) 4.988 12.219 ( -6.199 0.000 -1.865) 6.473 12.449 ( 1.956 0.000 3.455) 3.970 12.881 ( -3.440 0.000 -2.642) 4.338 12.925 ( 2.432 0.000 0.707) 2.533 13.258 ( -1.633 0.000 5.433) 5.673 13.402 ( -1.541 0.000 -0.458) 1.608 13.734 ( 3.382 0.000 -1.405) 3.662 13.778 ( 4.347 0.000 1.186) 4.506 13.874 ( 2.573 0.000 -1.697) 3.082 13.884 ( 2.640 0.000 -0.854) 2.775 14.133 ( -5.510 0.000 -2.488) 6.046 14.246 ( -6.503 0.000 -2.108) 6.836 14.698 ( 0.009 0.000 5.940) 5.940 14.755 ( 1.226 0.000 -0.618) 1.373 14.966 ( -1.569 0.000 5.216) 5.447 15.526 ( -0.632 0.000 -9.808) 9.828 15.727 ( 4.682 0.000 9.399) 10.500 15.772 ( -7.317 0.000 -4.409) 8.543 16.033 ( 2.284 0.000 4.142) 4.730 16.268 ( -5.162 0.000 -12.591) 13.608 16.317 ( 0.255 0.000 3.958) 3.966 16.565 ( 1.812 0.000 7.678) 7.889 16.796 ( 0.279 0.000 12.653) 12.656 17.003 ( 1.331 0.000 10.749) 10.831 17.026 ( -4.366 0.000 0.937) 4.465 17.326 ( -1.863 0.000 -5.405) 5.717 17.478 ( -1.415 0.000 -13.000) 13.076 17.897 ( -6.337 0.000 9.885) 11.742 18.206 ( 0.940 0.000 -2.072) 2.275 18.215 ( 2.185 0.000 0.425) 2.225 18.240 ( 14.251 0.000 -6.237) 15.556 18.563 ( -2.323 0.000 1.111) 2.575 18.689 ( -1.118 0.000 -4.645) 4.778 18.701 ( 1.774 0.000 1.120) 2.098 18.812 ( -9.358 0.000 -5.110) 10.663 18.910 ( 2.764 0.000 1.079) 2.968 18.922 ( -3.660 0.000 -0.306) 3.673 19.125 ( -3.895 0.000 0.714) 3.960 19.140 ( -5.902 0.000 2.838) 6.549 19.248 ( 6.687 0.000 -6.878) 9.593 19.331 ( -2.284 0.000 -1.493) 2.729 19.454 ( -0.641 0.000 1.990) 2.091 19.457 ( 1.093 0.000 1.578) 1.919 19.737 ( 9.710 0.000 3.246) 10.239 19.943 ( 2.833 0.000 -9.363) 9.782 20.087 ( 5.023 0.000 -1.077) 5.137 20.215 ( -9.877 0.000 -4.939) 11.043 20.322 ( -1.361 0.000 2.237) 2.618 20.362 ( 4.863 0.000 7.742) 9.142 20.564 ( 0.935 0.000 -0.326) 0.990 20.677 ( -0.309 0.000 -5.796) 5.805 20.886 ( -6.584 0.000 -0.471) 6.601 20.977 ( 4.226 0.000 -12.693) 13.378 22.092 ( 10.565 0.000 -0.179) 10.566 22.347 ( 0.382 0.000 0.841) 0.924 22.403 ( -0.242 0.000 -0.558) 0.609 22.572 ( -0.799 0.000 -1.615) 1.802 22.620 ( 2.508 0.000 -5.922) 6.431 22.892 ( 1.817 0.000 -4.006) 4.399 22.899 ( -0.325 0.000 -1.063) 1.112 23.075 ( -0.158 0.000 0.354) 0.388 23.155 ( -0.244 0.000 -1.973) 1.988 23.880 ( -4.639 0.000 -2.821) 5.429 24.215 ( -0.580 0.000 -2.169) 2.245 24.366 ( 11.802 0.000 24.214) 26.937 24.438 ( 0.165 0.000 -2.888) 2.893 25.047 ( -15.080 0.000 13.873) 20.491 25.770 ( -13.494 0.000 -6.423) 14.944 25.792 ( -0.087 0.000 -6.381) 6.382 25.981 ( 9.839 0.000 7.355) 12.284 26.020 ( -8.762 0.000 -6.676) 11.015 26.563 ( -10.386 0.000 1.649) 10.516 26.990 ( -5.860 0.000 6.992) 9.123 27.008 ( 11.705 0.000 -8.884) 14.695 27.423 ( -1.775 0.000 5.635) 5.908 27.982 ( -3.329 0.000 10.192) 10.722 28.106 ( -19.355 0.000 -38.909) 43.457 28.275 ( -0.688 0.000 -1.198) 1.382 28.416 ( -1.078 0.000 2.005) 2.277 28.648 ( 0.397 0.000 1.948) 1.988 29.171 ( 0.781 0.000 -0.701) 1.049 29.180 ( 6.216 0.000 -4.908) 7.920 29.253 ( 9.243 0.000 7.007) 11.598 29.326 ( -3.064 0.000 1.950) 3.632 29.385 ( 2.477 0.000 -16.221) 16.409 29.661 ( 4.589 0.000 -1.332) 4.778 30.056 ( -1.351 0.000 2.776) 3.087 30.251 ( -10.452 0.000 3.596) 11.054 31.196 ( -4.174 0.000 -2.834) 5.045 31.366 ( 19.951 0.000 12.174) 23.372 31.629 ( 15.909 0.000 23.808) 28.634 31.784 ( -1.846 0.000 -6.085) 6.359 31.983 ( 4.565 0.000 10.236) 11.208 32.116 ( -27.541 0.000 -33.899) 43.677 32.530 ( -2.137 0.000 -0.502) 2.195 32.721 ( 1.938 0.000 -0.529) 2.009 32.828 ( -11.773 0.000 -16.304) 20.110 32.954 ( 1.670 0.000 2.105) 2.687 33.524 ( -2.416 0.000 7.372) 7.757 33.925 ( 5.789 0.000 13.379) 14.578 34.427 ( 5.470 0.000 -8.971) 10.507 34.591 ( 0.552 0.000 -6.062) 6.088 37.582 ( -0.439 0.000 -0.843) 0.951 37.647 ( 2.702 0.000 0.054) 2.702 37.876 ( -3.797 0.000 2.233) 4.405 38.392 ( 2.055 0.000 -6.010) 6.351 38.919 ( 0.019 0.000 0.108) 0.109 38.924 ( 0.276 0.000 0.092) 0.291 39.178 ( -0.803 0.000 -2.769) 2.883 39.273 ( 2.748 0.000 6.515) 7.071 39.395 ( -2.239 0.000 -4.654) 5.165 39.400 ( -4.035 0.000 2.421) 4.705 39.448 ( 3.384 0.000 2.192) 4.032 39.559 ( -2.156 0.000 2.079) 2.995 39.613 ( 0.657 0.000 -0.954) 1.159 39.672 ( 1.024 0.000 0.808) 1.304 39.888 ( -5.842 0.000 0.933) 5.916 40.029 ( -3.971 0.000 0.729) 4.038 40.578 ( 8.570 0.000 12.576) 15.219 40.929 ( 10.805 0.000 -2.935) 11.197 41.347 ( -9.325 0.000 -0.731) 9.353 41.423 ( 9.205 0.000 27.182) 28.698 41.616 ( 3.260 0.000 8.604) 9.201 41.813 ( -7.653 0.000 2.830) 8.160 42.283 ( 7.489 0.000 -0.997) 7.555 42.501 ( 5.647 0.000 -16.044) 17.009 42.789 ( 1.709 0.000 5.269) 5.539 42.807 ( 31.946 0.000 46.768) 56.637 43.288 ( -7.229 0.000 -5.546) 9.111 43.680 ( 5.993 0.000 -9.802) 11.489 43.784 ( -6.837 0.000 -0.093) 6.838 43.897 ( 0.467 0.000 11.995) 12.004 44.490 ( 0.669 0.000 2.313) 2.407 44.560 ( 1.714 0.000 -7.950) 8.133 ======================= Grid point 55 (23/80) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -19.465 17.592 28.187) 38.509 1.250 ( 8.722 33.524 23.936) 42.105 1.656 ( 9.436 29.340 22.743) 38.303 2.059 ( 2.014 -0.614 -8.679) 8.931 2.239 ( 9.434 13.576 6.866) 17.901 2.514 ( 10.443 -11.824 -9.224) 18.274 2.664 ( 4.354 3.775 8.477) 10.251 2.711 ( -5.300 2.886 6.403) 8.799 2.856 ( -0.882 4.657 0.509) 4.767 2.941 ( 1.816 1.518 -3.394) 4.138 3.010 ( 8.777 1.035 -4.136) 9.758 3.142 ( -1.848 10.493 7.524) 13.044 3.206 ( -8.743 2.462 9.786) 13.352 3.366 ( 4.398 -1.354 4.191) 6.224 3.483 ( -0.858 0.420 2.245) 2.440 3.720 ( 5.767 6.584 5.285) 10.225 3.923 ( 9.904 -0.714 0.589) 9.947 4.022 ( -9.642 -2.062 4.903) 11.011 4.075 ( -5.955 0.446 -7.285) 9.420 4.240 ( -3.435 3.087 -1.453) 4.842 4.378 ( -8.675 -4.407 4.792) 10.846 4.502 ( -3.301 -1.666 10.531) 11.161 4.655 ( 4.780 -2.727 9.090) 10.626 4.746 ( -2.734 2.085 2.324) 4.150 4.863 ( -0.089 -1.037 -1.629) 1.933 4.986 ( 0.837 2.124 -6.644) 7.025 5.167 ( -5.847 9.866 1.389) 11.552 5.404 ( -5.312 -6.979 -7.953) 11.839 5.431 ( 1.885 -2.259 -2.835) 4.085 5.671 ( -6.440 5.700 4.890) 9.893 5.731 ( -3.222 0.771 -5.464) 6.389 5.794 ( 2.298 -8.464 0.155) 8.772 5.915 ( -2.682 -4.646 -8.040) 9.665 5.978 ( 3.119 4.566 -6.831) 8.788 6.036 ( 3.027 1.985 -4.008) 5.401 6.174 ( -2.353 5.656 2.311) 6.547 6.456 ( 3.669 1.389 -3.409) 5.197 6.555 ( 1.422 1.538 1.253) 2.441 6.856 ( -0.151 7.571 -0.253) 7.577 6.948 ( -6.057 6.104 2.071) 8.846 7.022 ( -6.684 7.725 -2.958) 10.634 7.198 ( -0.524 1.108 -5.490) 5.626 7.302 ( -8.576 -4.915 -2.136) 10.113 7.547 ( 3.893 -5.286 6.582) 9.297 7.599 ( -4.079 0.043 4.541) 6.104 7.624 ( -0.302 -0.288 2.980) 3.009 7.852 ( -5.004 1.862 2.099) 5.737 7.915 ( 1.517 -4.224 -1.981) 4.905 8.126 ( 2.101 -4.367 -1.866) 5.193 8.438 ( 0.425 -2.633 4.364) 5.114 8.583 ( -2.884 6.418 -1.639) 7.225 8.779 ( 14.442 -2.235 8.110) 16.713 8.833 ( 5.430 1.675 -0.601) 5.714 8.948 ( -3.266 -6.597 -3.920) 8.340 9.072 ( 0.741 -1.712 -4.172) 4.570 9.141 ( 5.222 2.975 -8.184) 10.153 9.183 ( 1.452 -2.293 0.896) 2.859 9.262 ( 9.920 -3.895 2.263) 10.895 9.448 ( 6.263 5.273 -2.407) 8.533 9.478 ( -0.159 -0.933 -3.172) 3.310 10.160 ( -0.772 -4.482 -0.423) 4.568 10.202 ( -8.303 -1.506 -4.801) 9.708 10.252 ( -6.462 -8.179 -4.154) 11.221 10.447 ( 0.608 -1.700 4.960) 5.278 11.062 ( 3.238 -0.428 0.988) 3.412 11.144 ( -2.510 2.853 -1.084) 3.952 11.238 ( 2.676 -0.511 2.251) 3.534 11.535 ( -4.868 0.524 -5.845) 7.625 11.872 ( 2.691 -1.333 3.575) 4.669 12.078 ( 0.072 -7.590 -1.365) 7.712 12.169 ( 0.835 -3.388 -0.609) 3.542 12.381 ( -4.081 -5.649 -2.351) 7.355 12.873 ( 2.429 0.647 1.388) 2.871 12.959 ( 0.090 0.679 0.625) 0.927 13.136 ( -2.751 -8.614 4.959) 10.313 13.334 ( 2.651 -8.799 3.053) 9.683 13.734 ( 1.703 -0.101 -3.259) 3.679 13.809 ( -0.151 -2.571 -2.314) 3.463 13.856 ( -1.097 4.222 -2.071) 4.829 13.976 ( -1.692 2.889 -4.125) 5.313 14.126 ( -0.663 5.948 1.237) 6.112 14.368 ( 5.073 13.702 -1.611) 14.699 14.744 ( -3.151 1.350 2.804) 4.429 14.929 ( 2.388 3.613 5.977) 7.381 15.086 ( 5.005 7.536 8.452) 12.381 15.274 ( -2.102 -12.990 -7.358) 15.076 15.652 ( -2.337 1.512 -7.428) 7.932 15.780 ( -4.338 -8.275 -0.945) 9.391 16.002 ( -2.377 -4.793 0.300) 5.359 16.134 ( -3.105 8.132 -0.148) 8.706 16.413 ( 2.575 2.195 1.729) 3.800 16.447 ( -7.983 8.215 -6.392) 13.118 16.877 ( -7.344 5.148 -9.420) 13.006 16.974 ( 5.885 -7.562 18.941) 21.227 17.096 ( -1.540 2.088 9.572) 9.918 17.470 ( 4.772 5.278 -1.151) 7.207 17.588 ( 1.925 9.363 -1.193) 9.633 17.808 ( -0.053 -1.898 6.393) 6.669 18.199 ( 2.474 -4.016 0.447) 4.738 18.242 ( -1.344 1.662 -0.223) 2.149 18.369 ( -6.418 0.943 -8.759) 10.900 18.540 ( -1.135 0.020 0.847) 1.417 18.637 ( 6.632 -2.551 7.660) 10.448 18.652 ( -0.635 -5.192 -0.646) 5.270 18.718 ( 1.440 -1.270 -1.729) 2.584 18.939 ( 2.464 2.973 -2.252) 4.470 19.010 ( -1.499 -1.015 -0.609) 1.910 19.023 ( 0.227 -4.003 -0.316) 4.022 19.192 ( 2.825 3.188 1.559) 4.536 19.279 ( 2.468 -0.267 1.720) 3.020 19.399 ( 5.796 -0.494 -1.746) 6.073 19.477 ( -0.805 1.392 -0.987) 1.886 19.528 ( 1.595 4.303 3.272) 5.636 19.772 ( -7.666 -3.564 -2.823) 8.913 19.941 ( 5.347 -1.380 -10.765) 12.099 20.076 ( 3.091 -5.648 0.551) 6.462 20.167 ( -1.048 -0.592 0.907) 1.507 20.197 ( 1.130 0.606 2.212) 2.557 20.245 ( -1.087 -4.693 4.365) 6.500 20.500 ( 0.261 -10.361 -9.413) 14.001 20.681 ( -0.487 2.557 1.414) 2.963 20.708 ( -4.179 -8.176 -2.029) 9.404 20.923 ( 9.244 -1.080 -11.458) 14.761 21.976 ( 1.586 -19.290 -11.057) 22.290 22.357 ( 0.033 -0.095 0.920) 0.926 22.389 ( 0.244 -1.442 -0.474) 1.537 22.445 ( 0.684 -4.690 -0.642) 4.783 22.476 ( -1.255 -3.619 0.079) 3.832 22.889 ( 0.324 1.188 -1.104) 1.654 22.921 ( 1.052 2.472 -2.431) 3.623 23.062 ( -0.033 -1.437 0.415) 1.496 23.130 ( 0.478 -1.477 -0.518) 1.637 23.881 ( -3.006 9.128 -2.428) 9.913 24.205 ( -4.827 11.881 -5.317) 13.883 24.526 ( -1.901 -3.223 12.673) 13.214 24.857 ( 1.545 9.975 22.182) 24.370 25.099 ( 2.546 15.851 5.348) 16.921 25.448 ( -9.931 -0.222 -6.528) 11.886 25.898 ( -1.531 9.415 -6.789) 11.708 25.988 ( -2.057 5.501 1.771) 6.134 26.346 ( 8.747 -0.185 14.357) 16.813 26.537 ( 0.561 8.879 4.774) 10.096 26.956 ( -3.635 -0.473 2.835) 4.634 27.078 ( -1.724 5.704 -1.241) 6.087 27.280 ( 0.524 3.650 -4.058) 5.484 27.800 ( 5.169 -3.519 -0.623) 6.284 28.051 ( -2.364 2.224 11.138) 11.602 28.330 ( 1.551 2.041 1.091) 2.786 28.599 ( -0.896 1.423 -2.783) 3.251 28.619 ( -1.419 8.006 -8.011) 11.414 28.955 ( 1.149 -17.626 -1.709) 17.746 29.120 ( 2.654 -12.839 -5.836) 14.350 29.161 ( -0.461 -7.594 -2.227) 7.928 29.346 ( 3.094 -4.176 -2.460) 5.750 29.469 ( 8.697 -0.701 -9.510) 12.906 29.577 ( 3.894 -3.066 -5.749) 7.591 30.223 ( -5.260 8.017 7.310) 12.057 30.298 ( -0.821 19.278 -1.230) 19.335 30.751 ( -24.650 -12.818 18.647) 33.461 31.234 ( -0.128 1.353 3.539) 3.791 31.513 ( 3.111 -8.913 3.922) 10.223 31.710 ( -1.713 -4.128 -5.994) 7.477 31.873 ( 1.332 7.330 0.937) 7.509 32.140 ( 1.288 -0.360 10.431) 10.517 32.519 ( 2.594 -3.768 3.958) 6.049 32.787 ( 1.601 -2.253 2.024) 3.426 32.945 ( -2.591 1.217 -1.974) 3.477 33.157 ( 6.074 8.708 -17.764) 20.695 33.541 ( -3.583 2.431 4.863) 6.511 33.925 ( -1.328 -10.717 5.590) 12.160 34.455 ( 4.529 0.870 -8.749) 9.890 34.560 ( 2.794 -0.888 -5.937) 6.622 37.593 ( 1.476 0.043 1.228) 1.921 37.783 ( 0.141 -0.265 -2.138) 2.159 37.801 ( -1.017 4.974 -0.526) 5.104 38.296 ( -1.016 -3.384 -6.534) 7.428 38.980 ( 0.053 5.728 0.014) 5.729 39.010 ( 1.592 6.141 0.826) 6.398 39.207 ( 1.866 0.953 1.998) 2.896 39.303 ( -0.440 4.133 0.297) 4.167 39.322 ( -3.280 3.150 -0.253) 4.555 39.460 ( -1.313 3.756 -1.468) 4.241 39.531 ( 0.960 -2.753 2.058) 3.569 39.646 ( 4.266 2.042 1.543) 4.975 39.678 ( 4.720 -0.823 7.659) 9.034 39.725 ( -2.639 -4.201 3.510) 6.078 39.945 ( 0.834 0.452 -1.902) 2.126 40.052 ( 3.106 10.507 -0.386) 10.963 40.464 ( -5.438 -11.035 -2.068) 12.475 40.877 ( -17.952 -13.239 -8.285) 23.794 41.022 ( 3.432 -4.192 -4.806) 7.242 41.297 ( -7.215 -0.365 -11.554) 13.627 41.697 ( 0.520 -0.627 -0.862) 1.186 41.985 ( 1.035 -7.711 6.054) 9.858 42.414 ( 5.290 3.526 0.311) 6.365 42.502 ( -4.810 -9.878 4.113) 11.731 42.784 ( 3.777 -4.003 1.495) 5.703 43.002 ( -11.268 4.364 3.282) 12.521 43.475 ( -0.738 8.344 4.954) 9.732 43.631 ( 3.458 -6.799 -1.722) 7.820 43.773 ( 9.112 1.208 -3.302) 9.767 44.036 ( 1.893 -12.203 14.337) 18.922 44.618 ( 5.493 2.302 1.379) 6.114 44.858 ( 12.317 2.328 1.281) 12.600 ======================= Grid point 56 (24/80) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -6.916 16.531 25.331) 31.028 1.655 ( 8.250 9.294 19.714) 23.304 1.866 ( 3.501 0.565 -2.154) 4.149 2.017 ( 3.425 -0.002 -2.740) 4.386 2.417 ( -10.605 -2.704 14.426) 18.107 2.579 ( 5.463 -11.442 -1.724) 12.796 2.626 ( -4.650 3.234 -2.714) 6.281 2.730 ( -3.810 -1.533 8.422) 9.370 2.921 ( -0.582 5.954 8.561) 10.444 2.959 ( 4.588 3.874 5.821) 8.363 3.079 ( 3.282 -1.364 -2.028) 4.092 3.188 ( 9.516 5.103 -2.476) 11.078 3.414 ( 3.144 -1.184 7.653) 8.358 3.463 ( -0.573 6.425 1.481) 6.618 3.537 ( 7.534 12.173 15.950) 21.432 3.784 ( 1.616 6.562 0.876) 6.815 3.837 ( -0.395 11.672 -2.385) 11.920 3.983 ( -2.371 -15.867 -2.327) 16.211 4.149 ( 2.051 -1.750 17.238) 17.448 4.239 ( 0.777 6.223 5.478) 8.327 4.344 ( -2.255 0.981 5.352) 5.889 4.496 ( -5.797 1.525 0.622) 6.027 4.651 ( -5.049 4.196 0.624) 6.594 4.769 ( -0.080 -2.523 4.228) 4.924 4.905 ( 5.137 -2.410 3.228) 6.529 4.963 ( -1.633 3.413 -9.203) 9.951 5.087 ( -0.227 6.203 0.690) 6.245 5.213 ( -2.890 2.055 -8.648) 9.347 5.411 ( -3.228 3.563 -9.449) 10.602 5.572 ( -7.343 1.688 5.694) 9.444 5.610 ( -6.806 2.220 -2.332) 7.530 5.725 ( -4.715 -1.947 -13.848) 14.758 5.852 ( -4.486 -1.964 -2.132) 5.341 5.895 ( 4.598 2.816 -9.376) 10.815 6.103 ( 7.283 0.161 0.499) 7.301 6.197 ( -5.945 1.351 3.456) 7.008 6.358 ( -2.716 1.091 -1.110) 3.130 6.596 ( -1.769 5.174 -0.170) 5.471 6.843 ( -2.838 10.358 2.033) 10.930 6.863 ( -1.900 2.405 -1.636) 3.475 6.913 ( -4.469 -1.836 4.798) 6.809 7.128 ( -3.245 0.776 -2.125) 3.956 7.221 ( -1.805 -0.184 2.645) 3.208 7.498 ( -8.346 -2.512 1.117) 8.787 7.542 ( -8.622 -4.513 -0.217) 9.734 7.708 ( 3.615 -5.523 6.792) 9.471 7.828 ( -0.116 -6.151 -1.605) 6.358 7.943 ( 3.457 -3.765 4.712) 6.952 8.145 ( 0.893 1.050 -3.781) 4.024 8.420 ( -6.886 3.823 3.009) 8.432 8.504 ( -2.187 5.148 0.042) 5.594 8.867 ( 1.041 -8.340 -3.749) 9.203 8.955 ( 6.958 -6.621 -4.273) 10.512 9.014 ( 3.751 -8.383 -3.632) 9.876 9.046 ( 1.615 6.691 6.699) 9.605 9.155 ( 9.053 -0.629 -16.220) 18.586 9.330 ( 7.157 -1.536 11.508) 13.639 9.372 ( -0.219 -4.459 -5.210) 6.861 9.525 ( 7.718 2.564 1.083) 8.204 9.580 ( 9.064 4.639 -0.758) 10.210 9.923 ( -9.567 8.495 -11.984) 17.530 10.108 ( -6.598 -4.619 2.762) 8.514 10.179 ( 1.757 -0.778 -0.081) 1.923 10.412 ( -6.039 4.553 -2.070) 7.841 11.096 ( -1.078 1.300 0.178) 1.699 11.170 ( 3.041 -2.527 2.434) 4.643 11.299 ( 1.876 -3.602 0.074) 4.062 11.395 ( -4.021 1.423 -2.933) 5.176 11.914 ( 0.220 -0.858 1.737) 1.949 12.103 ( 1.253 -6.848 -0.167) 6.963 12.187 ( 2.362 -7.013 0.989) 7.466 12.252 ( -5.327 -4.736 -5.861) 9.228 12.946 ( -1.242 0.163 1.096) 1.664 12.962 ( 3.218 -1.263 3.005) 4.580 13.135 ( -1.907 -4.955 3.730) 6.488 13.425 ( 3.845 -9.876 3.190) 11.068 13.712 ( -2.400 1.599 -1.573) 3.285 13.740 ( -1.984 -0.364 -3.246) 3.821 13.829 ( -0.683 2.576 -1.071) 2.872 13.898 ( -1.731 2.203 -5.668) 6.323 14.175 ( 5.114 4.819 -0.571) 7.050 14.454 ( 7.317 14.523 -2.871) 16.513 14.754 ( -2.446 -4.639 7.428) 9.093 15.006 ( 0.378 -0.375 5.939) 5.963 15.152 ( -4.792 -12.624 -4.743) 14.311 15.251 ( 5.050 10.455 5.496) 12.846 15.500 ( -4.615 -4.392 -12.181) 13.746 15.719 ( -1.560 1.892 4.441) 5.073 15.927 ( -4.096 -3.143 -5.166) 7.304 16.118 ( -0.819 11.892 2.112) 12.106 16.335 ( -1.610 11.159 1.579) 11.385 16.499 ( 2.532 2.176 4.349) 5.483 16.691 ( -3.773 0.096 -8.219) 9.044 17.093 ( -2.309 5.976 4.437) 7.793 17.279 ( 9.234 -8.412 15.405) 19.833 17.484 ( -1.340 3.313 -5.235) 6.339 17.580 ( -2.083 -6.782 -2.858) 7.649 17.875 ( -3.609 7.897 5.567) 10.314 18.090 ( -4.911 4.111 0.098) 6.406 18.311 ( 6.090 -5.302 2.823) 8.554 18.312 ( 1.306 -1.227 0.977) 2.041 18.525 ( -0.851 -1.274 -0.814) 1.735 18.601 ( -1.514 -4.660 -0.826) 4.969 18.712 ( 1.060 0.768 -0.802) 1.535 18.849 ( 5.376 -6.611 5.223) 9.994 18.896 ( -5.549 0.555 -1.825) 5.868 19.015 ( 7.257 -4.811 -1.929) 8.918 19.080 ( 4.403 -5.252 -1.337) 6.982 19.264 ( 5.124 2.946 -1.938) 6.221 19.346 ( 2.028 -6.464 0.276) 6.780 19.384 ( -5.624 -1.423 -5.306) 7.862 19.477 ( 3.397 -0.948 1.990) 4.049 19.573 ( -3.791 1.896 -2.880) 5.125 19.656 ( 3.313 -2.069 4.811) 6.197 19.950 ( -10.495 -1.985 -1.675) 10.811 19.976 ( 6.882 -1.108 -5.828) 9.086 20.211 ( 0.659 -0.395 -1.477) 1.665 20.311 ( 3.603 -4.730 1.204) 6.067 20.329 ( 4.754 -2.236 5.241) 7.420 20.428 ( 3.099 -8.651 -5.972) 10.959 20.583 ( -3.236 -2.610 -5.095) 6.576 20.709 ( 0.769 -6.042 0.301) 6.098 21.049 ( 12.616 10.290 -4.694) 16.944 21.787 ( -5.733 -8.732 -20.972) 23.429 22.360 ( -0.766 -0.136 0.890) 1.182 22.391 ( -0.305 -0.726 0.536) 0.953 22.436 ( -0.262 0.110 -0.317) 0.426 22.490 ( 1.932 -3.334 -0.064) 3.854 22.887 ( 0.663 1.208 -1.265) 1.871 22.921 ( 1.244 2.817 -2.000) 3.672 23.066 ( -0.067 -1.488 0.568) 1.594 23.140 ( 0.858 -1.579 -0.249) 1.814 23.819 ( -2.808 12.015 0.267) 12.341 24.110 ( -1.680 12.314 -3.270) 12.851 24.549 ( -14.639 -5.511 19.727) 25.176 24.997 ( 1.093 7.743 6.247) 10.008 25.261 ( 5.629 6.715 9.188) 12.697 25.342 ( 1.028 7.173 3.495) 8.045 25.840 ( 1.248 3.649 -6.379) 7.454 25.951 ( -1.909 5.230 -2.997) 6.323 26.469 ( -1.242 -12.536 7.140) 14.481 26.723 ( 7.360 12.206 9.495) 17.126 26.906 ( -0.876 -0.731 -0.628) 1.302 27.092 ( 2.897 9.985 1.456) 10.499 27.312 ( 4.756 5.484 -3.318) 7.981 27.835 ( 1.687 -7.145 -7.452) 10.461 28.110 ( -2.955 3.133 11.537) 12.314 28.367 ( 0.940 -1.716 0.696) 2.076 28.467 ( -3.846 12.660 -9.154) 16.089 28.586 ( -2.115 -3.701 1.272) 4.448 29.003 ( 7.232 -13.749 -1.605) 15.618 29.157 ( 5.082 -16.954 -4.165) 18.183 29.161 ( 0.576 -6.032 1.554) 6.255 29.354 ( 1.179 -3.778 -3.062) 5.004 29.480 ( 4.480 -0.426 -11.605) 12.447 29.571 ( 0.774 -1.903 -4.916) 5.328 30.144 ( -6.801 17.048 0.028) 18.354 30.341 ( 4.776 14.535 2.657) 15.529 30.656 ( -8.004 -4.695 20.348) 22.364 31.294 ( 3.610 1.548 -0.286) 3.938 31.517 ( -7.072 1.520 -16.178) 17.722 31.586 ( 4.026 -5.307 2.470) 7.105 31.942 ( -1.414 4.693 14.202) 15.024 32.199 ( -4.748 -1.716 7.402) 8.960 32.626 ( 3.134 -6.034 4.173) 7.978 32.769 ( -2.697 0.190 -2.457) 3.653 32.857 ( -4.396 2.911 -4.043) 6.644 33.155 ( 7.067 -7.133 -7.380) 12.462 33.524 ( -1.840 2.012 2.180) 3.491 33.913 ( -4.067 -9.583 4.103) 11.189 34.463 ( 4.980 0.118 -8.980) 10.269 34.569 ( 3.657 -2.082 -4.812) 6.392 37.649 ( 2.967 -0.447 2.341) 3.806 37.714 ( -3.418 -0.688 -1.613) 3.841 37.839 ( 2.493 4.959 1.328) 5.707 38.202 ( -2.536 -1.943 -6.930) 7.631 38.975 ( -0.497 6.005 -0.045) 6.026 39.052 ( 2.838 5.464 0.074) 6.157 39.184 ( -3.482 4.790 -2.095) 6.282 39.274 ( -1.067 5.264 -1.279) 5.522 39.385 ( 6.852 -0.544 4.510) 8.221 39.444 ( -2.161 1.636 2.724) 3.843 39.550 ( 1.262 -1.078 -1.196) 2.046 39.700 ( 0.300 -3.104 2.572) 4.043 39.760 ( 3.553 -5.525 3.320) 7.360 39.882 ( 5.182 -1.584 6.311) 8.319 39.938 ( 1.573 -1.060 2.650) 3.259 40.095 ( -2.069 5.690 1.517) 6.241 40.352 ( -2.190 -9.976 -3.558) 10.815 40.542 ( -12.297 -8.905 -3.892) 15.673 40.975 ( -5.844 -7.935 -3.634) 10.504 41.042 ( -6.890 4.128 -11.426) 13.966 41.723 ( 3.551 1.268 -1.986) 4.262 41.949 ( -6.089 -12.564 -1.609) 14.054 42.355 ( -9.074 -4.932 9.790) 14.231 42.549 ( -3.128 7.610 9.446) 12.527 42.795 ( -8.104 -3.754 7.212) 11.479 42.887 ( 2.459 2.677 -7.676) 8.493 43.342 ( -10.985 8.113 5.183) 14.607 43.766 ( 9.879 -1.381 -4.945) 11.134 43.882 ( 5.595 1.171 -3.517) 6.712 44.121 ( 0.596 -12.913 4.093) 13.559 44.730 ( 4.063 3.985 3.794) 6.840 44.905 ( -3.802 9.271 -1.509) 10.134 ======================= Grid point 57 (25/80) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 14.942 4.508 5.515) 16.553 1.670 ( 2.869 -7.758 -16.329) 18.304 1.928 ( -0.320 -2.447 -1.159) 2.726 2.096 ( 0.464 0.832 7.039) 7.103 2.330 ( -11.339 0.403 16.257) 19.824 2.508 ( -10.592 -5.120 -4.018) 12.432 2.561 ( -9.628 2.375 7.484) 12.423 2.767 ( 4.226 -17.008 8.289) 19.387 2.929 ( -3.534 -4.134 1.202) 5.570 3.014 ( -0.344 1.974 3.619) 4.137 3.144 ( 1.819 3.673 2.069) 4.592 3.239 ( -9.794 5.236 -6.642) 12.940 3.328 ( 2.623 1.093 -5.017) 5.766 3.513 ( 3.018 -1.012 0.925) 3.315 3.670 ( -5.398 1.648 -0.716) 5.689 3.889 ( 2.994 4.331 0.327) 5.275 3.920 ( 4.684 1.105 1.897) 5.173 4.115 ( 5.623 15.077 2.510) 16.287 4.203 ( 0.629 -2.631 -0.185) 2.711 4.267 ( -1.512 6.267 9.370) 11.374 4.337 ( -0.316 6.346 -4.693) 7.899 4.440 ( -5.934 7.282 8.848) 12.904 4.596 ( 1.601 3.707 4.419) 5.986 4.780 ( -5.125 2.722 -3.382) 6.716 4.864 ( 2.908 -1.045 6.308) 7.024 5.054 ( 5.532 -0.941 -4.381) 7.119 5.080 ( -1.504 0.129 -6.452) 6.626 5.152 ( 5.465 4.395 1.325) 7.137 5.325 ( -0.598 1.335 -1.155) 1.864 5.373 ( -8.120 9.308 4.978) 13.317 5.573 ( 0.079 0.893 -1.914) 2.114 5.620 ( -5.887 -2.719 0.551) 6.508 5.719 ( -5.161 5.258 1.049) 7.442 5.926 ( 3.133 4.039 -1.916) 5.459 6.067 ( -1.932 13.319 -3.133) 13.819 6.149 ( 1.587 -9.130 -9.509) 13.278 6.420 ( -6.372 0.123 1.309) 6.506 6.572 ( 4.367 3.474 11.523) 12.803 6.733 ( -2.472 4.406 -3.914) 6.391 6.911 ( -1.503 -2.668 11.113) 11.527 6.950 ( -0.022 -3.237 4.232) 5.328 7.064 ( -4.366 0.499 3.027) 5.336 7.223 ( 0.346 3.457 0.988) 3.611 7.291 ( -9.608 -4.574 -2.480) 10.927 7.505 ( -1.034 -9.895 2.536) 10.266 7.746 ( -0.848 -9.341 1.774) 9.546 7.838 ( 3.692 -0.891 0.896) 3.903 8.034 ( -3.756 5.210 -9.396) 11.381 8.124 ( 2.347 -8.401 5.537) 10.332 8.297 ( -7.002 10.060 1.279) 12.323 8.481 ( -1.492 0.706 2.175) 2.730 8.885 ( 2.537 -9.327 -4.255) 10.561 8.966 ( -0.524 -11.243 -2.155) 11.459 9.034 ( 5.840 -2.656 -2.719) 6.968 9.131 ( 5.677 1.435 -13.629) 14.834 9.170 ( 4.424 4.867 -2.509) 7.040 9.279 ( -1.404 -3.321 -10.976) 11.553 9.451 ( -1.342 2.845 1.301) 3.404 9.605 ( 4.316 -0.714 -3.054) 5.335 9.703 ( 5.297 0.288 1.528) 5.520 9.837 ( 1.167 8.321 5.476) 10.029 10.111 ( -1.851 2.928 11.744) 12.244 10.179 ( -0.138 5.526 -6.049) 8.194 10.324 ( -0.237 2.795 0.196) 2.812 11.065 ( -1.598 0.914 -0.334) 1.872 11.207 ( -0.763 -1.126 -1.280) 1.868 11.238 ( -1.403 0.296 0.238) 1.454 11.431 ( 2.707 -2.692 1.802) 4.222 11.923 ( -0.316 -1.355 0.327) 1.430 12.057 ( -3.840 -2.568 -4.948) 6.770 12.178 ( 1.586 -6.014 -0.261) 6.225 12.263 ( 2.744 -11.079 3.407) 11.911 12.913 ( -2.315 -0.812 -0.283) 2.470 13.034 ( 2.304 -1.809 1.737) 3.406 13.127 ( -2.300 -1.501 2.272) 3.565 13.485 ( 0.969 -9.870 -0.025) 9.917 13.643 ( -3.114 3.291 -0.788) 4.599 13.720 ( 0.661 0.371 -1.195) 1.415 13.799 ( -0.842 2.129 -1.543) 2.761 13.863 ( 1.946 -0.154 -2.318) 3.030 14.267 ( 5.992 1.870 -0.899) 6.341 14.551 ( 6.660 13.469 -4.133) 15.584 14.716 ( -7.283 -4.587 1.501) 8.737 15.034 ( -1.892 -2.702 -1.702) 3.712 15.087 ( 0.934 -12.806 6.828) 14.542 15.292 ( -5.341 10.948 1.958) 12.338 15.428 ( 3.613 -2.651 0.047) 4.482 15.675 ( -2.001 6.205 -8.443) 10.667 15.942 ( 2.881 3.065 14.804) 15.390 16.112 ( -2.339 7.876 1.749) 8.400 16.353 ( 2.661 12.286 -1.810) 12.700 16.573 ( -5.378 -6.288 -4.262) 9.307 16.600 ( 4.321 3.735 8.067) 9.884 17.135 ( 0.620 13.667 -4.251) 14.327 17.320 ( -4.083 -1.588 -3.771) 5.780 17.457 ( -0.505 -8.548 -4.535) 9.690 17.576 ( 1.061 -7.164 16.680) 18.185 17.804 ( -4.657 4.510 1.014) 6.561 18.092 ( 0.005 8.595 0.981) 8.651 18.348 ( 0.227 -0.642 -0.325) 0.755 18.392 ( 0.200 -1.929 0.137) 1.945 18.542 ( 1.846 -8.771 1.764) 9.135 18.585 ( 0.717 -2.344 -0.837) 2.590 18.721 ( -0.496 -1.437 0.532) 1.610 18.818 ( 0.001 -0.198 1.605) 1.617 18.920 ( -1.044 -3.831 -0.163) 3.973 19.108 ( 4.619 -6.123 -1.654) 7.846 19.155 ( 5.770 -6.864 -1.478) 9.088 19.216 ( -4.881 -5.399 -3.764) 8.194 19.327 ( -1.488 -10.513 -4.643) 11.589 19.336 ( 4.681 2.442 -3.694) 6.443 19.529 ( 0.868 0.973 -3.813) 4.030 19.570 ( 4.585 -6.115 2.006) 7.902 19.749 ( -7.753 -2.381 -2.012) 8.356 19.806 ( 4.958 -6.411 5.955) 10.057 20.045 ( 3.710 -2.965 -2.663) 5.444 20.185 ( -0.728 1.569 -5.985) 6.230 20.241 ( -4.170 -1.278 1.245) 4.536 20.393 ( -1.168 2.193 -4.465) 5.110 20.496 ( 3.044 -10.044 0.767) 10.524 20.587 ( 5.043 -1.807 1.063) 5.462 20.732 ( 2.131 -6.545 0.385) 6.894 21.236 ( 13.655 11.379 -5.179) 18.514 21.509 ( -3.653 5.640 -19.947) 21.048 22.342 ( -1.931 0.178 0.748) 2.079 22.398 ( 0.262 -2.275 1.784) 2.903 22.440 ( 0.784 0.623 -0.623) 1.179 22.519 ( 1.309 -2.029 0.010) 2.415 22.889 ( 0.870 1.009 -1.365) 1.907 22.928 ( 1.265 2.638 -1.459) 3.269 23.067 ( -0.338 -1.482 0.460) 1.588 23.151 ( 0.782 -1.506 -0.582) 1.794 23.804 ( -0.434 14.421 3.773) 14.912 24.090 ( 0.806 10.708 0.025) 10.738 24.395 ( -18.071 4.987 14.067) 23.437 25.061 ( 1.177 -0.266 5.096) 5.237 25.335 ( -4.235 -0.759 0.092) 4.304 25.413 ( 1.766 0.508 0.982) 2.084 25.864 ( 1.335 6.572 -3.142) 7.405 25.905 ( 3.286 7.696 3.202) 8.960 26.502 ( -2.569 -14.947 8.544) 17.407 26.844 ( 2.051 16.582 2.183) 16.851 26.940 ( 0.894 -7.058 3.604) 7.975 27.161 ( 2.805 11.347 1.687) 11.809 27.354 ( 3.668 8.043 -4.248) 9.808 27.776 ( 1.732 -7.235 -8.085) 10.987 28.116 ( -5.296 5.906 4.480) 9.111 28.346 ( -0.203 -0.108 0.145) 0.272 28.419 ( 0.642 4.884 0.475) 4.948 28.562 ( -1.631 -2.423 0.864) 3.046 29.116 ( 3.980 -11.169 -0.569) 11.871 29.185 ( -0.081 -7.909 1.930) 8.141 29.208 ( 5.616 -14.992 -3.986) 16.498 29.330 ( 0.357 -6.482 -3.483) 7.367 29.466 ( 5.241 2.312 -10.613) 12.060 29.523 ( -0.681 -0.345 -5.843) 5.893 30.053 ( -3.872 16.040 1.950) 16.615 30.464 ( 3.523 12.753 8.549) 15.752 30.762 ( 0.308 -4.416 16.422) 17.008 31.184 ( -5.628 1.813 -20.954) 21.773 31.397 ( 2.496 4.986 0.206) 5.580 31.707 ( 6.906 -3.269 1.351) 7.759 32.050 ( -4.212 1.058 21.075) 21.518 32.088 ( -10.948 -0.755 0.049) 10.974 32.656 ( -0.822 -2.750 -1.010) 3.043 32.738 ( 0.593 -0.960 0.656) 1.305 32.759 ( -2.449 -1.777 -3.290) 4.470 33.225 ( 5.364 -9.005 -3.041) 10.913 33.514 ( 0.157 0.530 -1.416) 1.520 33.871 ( -4.692 -6.501 3.466) 8.735 34.464 ( 4.457 0.162 -9.259) 10.277 34.596 ( 3.542 -3.187 -3.533) 5.931 37.656 ( -1.581 0.787 -1.639) 2.410 37.714 ( 1.786 -0.983 1.408) 2.477 37.889 ( 1.026 3.134 2.281) 4.009 38.122 ( -0.102 -1.122 -4.025) 4.180 38.966 ( -0.405 6.278 -0.099) 6.292 39.102 ( 1.159 4.341 1.668) 4.793 39.110 ( -0.591 5.915 -4.377) 7.382 39.269 ( 0.090 5.386 1.596) 5.618 39.409 ( -2.087 1.823 -1.164) 3.005 39.527 ( 2.563 -2.386 -1.101) 3.670 39.592 ( 7.077 -0.433 2.656) 7.571 39.725 ( -1.179 -2.956 4.148) 5.228 39.823 ( 0.397 -4.751 0.169) 4.771 39.875 ( -2.032 -1.184 -2.535) 3.458 39.978 ( -6.496 1.027 -1.612) 6.771 40.042 ( -1.572 -6.460 2.981) 7.286 40.342 ( -0.549 -7.152 5.190) 8.854 40.472 ( 1.507 -2.434 1.520) 3.241 40.774 ( -2.602 8.481 -6.033) 10.728 40.982 ( -2.142 -14.992 6.540) 16.496 41.770 ( 2.508 -6.460 -3.305) 7.678 41.821 ( -5.700 -2.153 2.504) 6.587 42.332 ( -6.115 -0.046 12.316) 13.750 42.493 ( -8.835 8.544 1.353) 12.365 42.694 ( -8.513 -3.583 5.267) 10.632 42.904 ( 6.533 -3.083 -8.406) 11.084 43.234 ( -5.532 7.798 1.613) 9.696 43.861 ( 6.741 1.548 -7.032) 9.863 43.883 ( -0.763 -0.998 -3.525) 3.742 44.170 ( 2.804 -8.890 0.762) 9.353 44.753 ( -5.981 11.999 -0.670) 13.424 44.831 ( 0.738 6.767 -3.218) 7.530 ======================= Grid point 58 (26/80) ======================= q-point: (-0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 7.531 -1.753 -14.665) 16.579 1.679 ( 15.045 -10.305 -12.245) 21.966 1.833 ( -7.086 -1.737 -3.714) 8.187 2.061 ( -10.128 5.885 0.555) 11.727 2.232 ( -3.526 -1.618 -11.036) 11.698 2.332 ( -7.411 0.262 16.385) 17.985 2.593 ( 1.392 2.893 8.431) 9.022 2.760 ( -8.443 -7.257 3.158) 11.573 2.870 ( -3.268 -4.179 1.001) 5.398 2.957 ( -5.763 2.209 -9.755) 11.544 2.997 ( -12.775 6.098 -7.650) 16.091 3.257 ( -5.071 0.253 -0.063) 5.077 3.311 ( 1.799 5.878 -2.070) 6.486 3.350 ( 1.334 -0.420 -6.583) 6.730 3.569 ( -6.947 0.983 -6.400) 9.497 3.768 ( -7.807 15.466 -11.172) 20.614 3.902 ( 1.903 0.731 -8.130) 8.382 4.114 ( -7.190 7.827 -7.946) 13.270 4.211 ( 2.544 9.558 16.105) 18.900 4.285 ( -3.601 0.849 0.939) 3.817 4.365 ( 3.286 12.476 3.793) 13.447 4.457 ( -0.526 -10.180 9.905) 14.213 4.633 ( -6.440 -0.911 3.843) 7.555 4.850 ( 11.097 -0.601 5.375) 12.345 4.909 ( -5.429 -1.036 3.933) 6.783 5.012 ( 2.733 1.426 5.079) 5.941 5.156 ( -2.126 1.832 -4.628) 5.412 5.294 ( -4.931 -3.104 4.051) 7.096 5.326 ( 12.916 0.042 1.953) 13.063 5.421 ( 1.550 6.638 6.457) 9.390 5.577 ( 6.275 5.599 4.953) 9.760 5.627 ( 3.995 2.276 5.406) 7.097 5.712 ( 0.116 4.519 8.901) 9.983 5.959 ( 1.760 6.919 -7.752) 10.538 6.067 ( -0.684 -2.334 -0.917) 2.600 6.113 ( 3.330 0.222 1.481) 3.651 6.282 ( -2.249 8.797 -0.893) 9.123 6.700 ( 0.259 1.016 -0.502) 1.163 6.757 ( 5.705 1.327 0.888) 5.924 6.880 ( -5.598 2.193 -2.411) 6.477 6.983 ( -0.104 -4.746 1.662) 5.029 7.088 ( -2.881 1.099 15.861) 16.158 7.169 ( -2.010 -5.022 -2.229) 5.850 7.281 ( 5.198 -0.994 -1.282) 5.445 7.503 ( -1.638 -10.597 7.973) 13.362 7.800 ( -11.155 -6.001 -7.978) 14.970 7.837 ( -2.485 2.950 -2.670) 4.692 7.895 ( 8.756 -8.039 11.595) 16.605 8.144 ( 2.306 5.295 -1.617) 5.997 8.240 ( -2.144 11.924 0.205) 12.117 8.523 ( 0.734 2.454 1.680) 3.064 8.850 ( -1.476 -6.431 -7.076) 9.676 8.882 ( -5.502 -1.017 -8.081) 9.829 9.048 ( 3.624 -11.187 -4.250) 12.504 9.082 ( 1.986 -4.153 -9.588) 10.636 9.206 ( 5.351 -1.019 -14.864) 15.830 9.306 ( 6.024 1.727 5.728) 8.490 9.419 ( -2.311 -0.108 -1.849) 2.961 9.597 ( 0.139 0.334 -3.138) 3.158 9.742 ( 1.022 -2.876 -3.039) 4.307 9.963 ( 3.284 5.541 7.629) 9.985 10.092 ( -2.468 -0.494 5.397) 5.955 10.245 ( 2.377 4.051 4.662) 6.617 10.317 ( -2.398 3.085 1.487) 4.181 11.053 ( 0.750 1.294 0.118) 1.500 11.204 ( -0.021 0.209 1.059) 1.080 11.275 ( 4.407 0.519 3.086) 5.405 11.438 ( -3.018 -3.663 -0.697) 4.797 11.907 ( -1.334 -0.929 -0.689) 1.765 11.982 ( 1.346 -2.192 -4.638) 5.304 12.237 ( 3.172 -4.826 2.623) 6.343 12.312 ( -1.247 -11.925 3.630) 12.527 12.877 ( -0.492 0.054 -1.524) 1.603 13.062 ( -1.242 0.666 -0.582) 1.524 13.105 ( -1.338 -4.942 2.733) 5.804 13.454 ( -2.706 -9.143 -3.331) 10.100 13.615 ( 1.228 1.816 -0.773) 2.325 13.717 ( 0.269 -0.575 -1.644) 1.763 13.799 ( 1.241 3.483 0.529) 3.736 13.897 ( 2.706 1.519 0.034) 3.103 14.342 ( 1.964 0.827 0.345) 2.159 14.571 ( 0.252 11.673 -5.661) 12.976 14.612 ( -3.298 -1.945 0.342) 3.844 14.986 ( -2.386 -2.507 -0.115) 3.463 15.157 ( -5.035 3.827 -0.668) 6.359 15.232 ( 2.662 -0.331 3.652) 4.531 15.486 ( 3.141 -8.971 0.234) 9.508 15.686 ( 4.011 4.613 9.230) 11.071 16.063 ( -1.880 9.200 -0.752) 9.420 16.159 ( 1.688 -1.347 15.335) 15.486 16.406 ( 3.911 10.976 0.153) 11.653 16.442 ( -4.909 1.403 1.265) 5.260 16.759 ( 3.672 8.970 4.874) 10.849 16.907 ( -6.917 3.607 -9.834) 12.553 17.313 ( -6.490 -12.145 -9.543) 16.753 17.486 ( 9.547 0.869 6.607) 11.643 17.735 ( -0.074 10.619 1.730) 10.759 17.762 ( -0.760 -4.115 14.242) 14.844 18.063 ( -3.017 7.905 -2.566) 8.841 18.278 ( -2.366 -1.809 -5.793) 6.513 18.360 ( -2.887 0.281 -3.051) 4.210 18.561 ( 0.254 -5.314 0.820) 5.383 18.602 ( -0.338 -4.009 0.881) 4.119 18.727 ( 1.006 -4.068 0.667) 4.244 18.810 ( -4.421 0.421 2.228) 4.969 18.894 ( 0.126 -5.766 -4.417) 7.265 19.151 ( -1.170 -9.885 -2.692) 10.311 19.198 ( 6.840 -3.021 2.312) 7.827 19.224 ( 1.237 -1.952 -0.825) 2.454 19.270 ( 2.140 -10.227 -4.576) 11.407 19.358 ( 2.018 1.045 -5.972) 6.390 19.468 ( -1.759 -3.000 -4.807) 5.933 19.555 ( -4.795 5.302 -2.818) 7.684 19.736 ( 3.199 -8.588 3.409) 9.778 19.859 ( -4.315 2.263 -3.369) 5.923 20.043 ( 0.477 -4.657 0.046) 4.682 20.170 ( 4.395 -0.050 -4.677) 6.418 20.241 ( 0.465 -2.120 3.384) 4.020 20.314 ( 0.913 -6.101 -1.741) 6.410 20.568 ( -2.324 -5.282 -3.720) 6.866 20.586 ( 2.781 -4.153 -0.249) 5.004 20.780 ( -0.052 -2.197 2.320) 3.196 21.337 ( -1.634 13.761 -11.425) 17.960 21.441 ( 17.273 -1.869 -7.677) 18.995 22.324 ( -0.715 -0.407 0.850) 1.182 22.425 ( 0.455 -3.256 1.772) 3.735 22.446 ( 0.663 -0.805 -0.271) 1.078 22.529 ( -0.105 -3.072 -0.461) 3.108 22.892 ( 0.822 0.903 -1.220) 1.726 22.935 ( 0.975 2.403 -1.422) 2.958 23.064 ( -0.394 -1.396 0.252) 1.472 23.156 ( 0.573 -1.586 -0.960) 1.940 23.882 ( 3.816 12.673 7.197) 15.065 24.128 ( 1.308 10.782 3.827) 11.516 24.248 ( -9.920 12.524 10.345) 19.034 25.084 ( -11.895 2.051 0.755) 12.095 25.139 ( -3.137 -1.415 -4.721) 5.842 25.455 ( 2.110 -7.337 2.068) 7.910 25.851 ( 2.235 5.401 -2.785) 6.475 26.037 ( 2.920 3.960 5.716) 7.542 26.511 ( -4.789 -4.827 5.303) 8.622 26.839 ( -4.860 8.628 1.801) 10.065 26.967 ( -0.281 2.320 2.467) 3.398 27.184 ( -1.933 10.557 0.341) 10.738 27.366 ( 1.748 4.811 -2.726) 5.800 27.813 ( 9.043 -9.278 -3.950) 13.545 28.049 ( -4.815 5.928 2.556) 8.054 28.374 ( 0.102 -3.385 0.835) 3.488 28.461 ( 4.268 8.674 2.900) 10.093 28.554 ( -0.036 -2.261 1.134) 2.530 29.102 ( -2.245 -11.722 -3.325) 12.390 29.164 ( -1.335 -7.806 -1.440) 8.049 29.248 ( 0.022 -10.678 -2.799) 11.038 29.350 ( 2.447 -8.263 -0.262) 8.621 29.454 ( 4.007 -0.544 -11.076) 11.791 29.472 ( 3.360 2.416 -8.754) 9.683 30.066 ( 1.069 13.549 6.621) 15.119 30.581 ( -4.982 5.868 15.969) 17.728 30.854 ( -6.180 -0.392 6.324) 8.851 31.008 ( 9.694 2.593 -10.973) 14.869 31.455 ( 0.883 3.972 2.681) 4.873 31.755 ( -2.830 -5.775 -3.058) 7.121 31.927 ( -1.920 1.623 -2.661) 3.661 32.159 ( -5.208 -2.321 19.887) 20.688 32.618 ( -1.623 -3.557 -3.224) 5.067 32.708 ( 0.144 -1.408 -2.281) 2.684 32.795 ( 3.944 1.443 2.924) 5.117 33.265 ( 3.206 -11.141 -5.468) 12.817 33.502 ( 0.111 1.459 -1.675) 2.225 33.819 ( -4.429 -3.607 3.165) 6.530 34.459 ( 4.467 1.109 -9.002) 10.110 34.620 ( 2.545 -3.018 -3.381) 5.198 37.633 ( 0.342 1.712 -1.501) 2.303 37.711 ( -1.539 0.385 -1.627) 2.273 37.906 ( -1.095 1.332 2.268) 2.849 38.157 ( 5.351 -2.317 0.744) 5.878 38.964 ( 0.172 6.085 0.117) 6.089 39.055 ( -1.144 6.174 -2.873) 6.905 39.152 ( 2.202 4.479 1.055) 5.101 39.279 ( -1.192 0.733 0.434) 1.466 39.375 ( 0.004 8.164 -0.616) 8.187 39.530 ( 1.726 -1.174 -2.044) 2.921 39.676 ( -6.570 0.231 -1.541) 6.752 39.694 ( -4.378 -2.110 0.385) 4.875 39.780 ( 5.496 0.492 -3.855) 6.731 39.862 ( -2.300 -2.185 -5.140) 6.040 39.925 ( 2.930 -0.406 4.611) 5.478 39.975 ( -5.575 -5.672 2.470) 8.328 40.367 ( -6.576 4.167 -0.774) 7.823 40.457 ( 2.800 -9.048 5.442) 10.923 40.927 ( 12.230 -2.186 10.979) 16.580 41.068 ( 1.983 -12.561 13.646) 18.653 41.686 ( -5.048 -9.390 -1.679) 10.792 41.873 ( 2.322 0.258 5.273) 5.767 42.301 ( -7.039 -0.482 -4.303) 8.264 42.346 ( -7.404 12.547 9.995) 17.668 42.618 ( -2.185 -5.286 -0.842) 5.781 42.930 ( 4.495 2.947 -10.072) 11.416 43.187 ( -0.880 2.397 1.753) 3.098 43.801 ( -0.899 -0.849 -8.214) 8.307 43.904 ( 3.686 1.928 -5.836) 7.167 44.204 ( -2.132 -5.837 2.720) 6.783 44.605 ( -4.936 12.745 -7.414) 15.549 44.792 ( -1.465 5.234 -6.621) 8.566 ======================= Grid point 59 (27/80) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -16.827 3.040 -11.166) 20.422 1.538 ( -17.642 23.361 -11.365) 31.403 1.845 ( -0.962 7.449 -5.009) 9.028 2.015 ( 3.976 3.728 -1.932) 5.783 2.113 ( 6.427 7.964 -20.212) 22.655 2.281 ( 1.724 5.537 -9.120) 10.808 2.530 ( -12.469 6.532 -4.958) 14.924 2.687 ( 4.108 -4.462 -0.122) 6.066 2.743 ( -2.196 6.430 11.263) 13.154 2.855 ( 1.238 -1.948 -1.522) 2.765 2.972 ( -6.297 7.964 -1.892) 10.327 3.059 ( 1.108 0.582 0.390) 1.311 3.303 ( -3.581 10.300 8.173) 13.628 3.411 ( 2.401 -5.558 0.116) 6.055 3.472 ( -2.333 -2.792 -1.399) 3.898 3.568 ( -6.197 7.356 -3.614) 10.275 3.851 ( 0.430 2.407 -12.686) 12.920 3.980 ( -1.558 5.325 1.397) 5.721 4.282 ( 0.094 -2.894 3.036) 4.196 4.378 ( -0.099 6.296 -2.333) 6.715 4.449 ( 0.612 2.490 14.208) 14.438 4.526 ( 1.809 -5.351 10.215) 11.673 4.561 ( -7.457 -1.673 7.990) 11.056 4.821 ( -4.513 -1.603 0.783) 4.853 4.923 ( -9.989 -2.627 -3.430) 10.883 5.036 ( 2.677 1.701 7.364) 8.018 5.142 ( -3.384 -0.108 -0.068) 3.386 5.349 ( 2.849 2.978 -3.477) 5.392 5.394 ( 8.763 -5.351 8.892) 13.582 5.549 ( 3.699 3.121 3.863) 6.192 5.749 ( 8.853 -2.806 -3.504) 9.926 5.812 ( 3.558 3.124 12.460) 13.330 5.816 ( 0.082 8.603 4.430) 9.677 5.950 ( 5.177 -0.442 -4.244) 6.709 6.013 ( 1.254 -6.994 2.475) 7.524 6.155 ( -1.280 7.661 -2.625) 8.199 6.419 ( 8.619 10.856 6.924) 15.495 6.593 ( -6.316 2.107 -9.735) 11.794 6.821 ( 1.101 7.108 8.010) 10.766 6.844 ( 1.323 -3.463 -0.765) 3.785 7.018 ( 1.324 5.883 6.115) 8.588 7.091 ( 1.009 -9.426 -5.424) 10.922 7.240 ( 6.739 -1.160 6.821) 9.658 7.329 ( 4.792 1.544 -8.215) 9.635 7.609 ( -1.445 -8.382 -1.144) 8.582 7.634 ( -1.763 -3.492 15.503) 15.989 7.773 ( -1.557 8.038 0.787) 8.225 8.109 ( -2.105 -0.608 8.825) 9.093 8.167 ( 1.910 1.299 -3.570) 4.252 8.265 ( 6.122 3.128 1.729) 7.089 8.455 ( 0.301 16.111 -12.775) 20.563 8.670 ( -4.589 -6.246 -5.357) 9.422 8.843 ( 2.094 -5.400 -4.317) 7.224 9.028 ( 0.785 -4.376 -4.259) 6.157 9.102 ( 2.056 -14.583 0.273) 14.730 9.166 ( 5.128 -1.272 -15.627) 16.496 9.277 ( -9.317 -5.750 0.881) 10.984 9.419 ( 1.139 1.827 -4.698) 5.168 9.547 ( -2.574 0.976 -3.720) 4.628 9.677 ( -5.737 3.278 -5.498) 8.596 10.096 ( 5.699 -7.608 4.759) 10.630 10.166 ( 2.256 1.417 9.193) 9.571 10.216 ( -2.520 -4.075 1.526) 5.028 10.362 ( 2.077 1.393 3.526) 4.323 11.092 ( 2.204 3.055 1.709) 4.137 11.169 ( -4.028 -0.280 -1.960) 4.489 11.331 ( -5.239 -4.046 -1.289) 6.744 11.439 ( 7.707 -0.652 4.662) 9.031 11.861 ( -2.710 0.619 -1.781) 3.302 12.032 ( 6.361 -2.333 -1.125) 6.868 12.268 ( -5.422 -9.090 0.544) 10.598 12.322 ( 3.201 -4.612 3.367) 6.547 12.881 ( 1.874 0.520 -0.360) 1.977 12.987 ( -4.841 -0.024 -2.094) 5.275 13.124 ( -0.598 -6.523 3.613) 7.481 13.362 ( -3.436 -9.422 -3.735) 10.701 13.664 ( 3.977 -0.471 -0.471) 4.032 13.718 ( 2.599 -0.590 -2.154) 3.427 13.838 ( 1.835 4.462 1.316) 5.001 13.950 ( 3.190 4.130 0.301) 5.227 14.298 ( -6.146 2.687 -0.226) 6.711 14.474 ( -4.842 10.114 -5.940) 12.690 14.657 ( 3.685 2.818 6.866) 8.287 14.939 ( -4.341 2.609 0.057) 5.066 15.015 ( -3.183 11.226 -6.063) 13.150 15.348 ( 3.815 -18.748 2.266) 19.266 15.563 ( 3.569 0.168 5.057) 6.192 15.870 ( 4.437 1.534 7.907) 9.196 16.059 ( -0.157 -1.974 6.222) 6.530 16.094 ( -7.890 -5.126 -5.097) 10.700 16.525 ( 2.665 10.961 9.310) 14.626 16.567 ( 5.404 11.361 19.141) 22.905 16.616 ( -3.107 5.478 -15.247) 16.496 16.969 ( 1.224 -0.175 5.440) 5.579 17.103 ( -6.905 -4.007 -3.882) 8.878 17.570 ( -1.541 1.334 -4.650) 5.077 17.671 ( -3.010 9.937 -8.015) 13.116 17.900 ( -4.161 2.452 11.319) 12.306 18.056 ( 8.208 2.726 4.653) 9.821 18.232 ( 1.989 0.348 -4.638) 5.058 18.251 ( -4.568 -1.393 -5.317) 7.147 18.560 ( -1.334 -3.864 2.061) 4.578 18.603 ( 0.493 -3.826 0.829) 3.946 18.729 ( 0.430 -1.517 -2.121) 2.642 18.803 ( -4.429 -10.917 -2.985) 12.154 18.833 ( 2.937 2.953 2.063) 4.648 19.062 ( -4.187 -7.388 -6.002) 10.399 19.181 ( -1.954 -4.949 -2.526) 5.890 19.266 ( -0.647 -1.483 -4.897) 5.158 19.301 ( 1.643 1.668 -4.251) 4.853 19.346 ( -0.986 -2.325 -0.995) 2.715 19.439 ( 2.757 3.841 2.326) 5.270 19.553 ( 2.727 3.235 2.137) 4.740 19.598 ( -6.156 8.170 -4.520) 11.184 19.917 ( 7.717 -6.088 -1.906) 10.012 20.052 ( 0.640 2.905 -3.497) 4.592 20.168 ( 1.191 -7.556 -1.126) 7.731 20.228 ( -1.723 -4.662 2.869) 5.739 20.386 ( -6.190 -6.406 -3.232) 9.476 20.519 ( 6.493 -7.893 4.171) 11.039 20.629 ( 1.985 -3.523 -1.874) 4.457 20.755 ( -3.041 -1.668 -0.286) 3.480 21.186 ( -4.065 5.814 -12.627) 14.483 21.696 ( 17.685 -12.587 -4.792) 22.229 22.330 ( 0.337 -0.314 0.969) 1.073 22.419 ( -0.845 -0.132 -0.962) 1.288 22.472 ( 0.852 -7.165 1.223) 7.319 22.508 ( -1.195 -5.441 -1.295) 5.719 22.895 ( 0.575 0.959 -1.033) 1.523 22.936 ( 0.689 2.106 -1.744) 2.820 23.061 ( -0.135 -1.303 0.285) 1.341 23.151 ( 0.009 -1.819 -1.343) 2.261 23.985 ( 0.191 3.153 2.081) 3.782 24.208 ( 2.796 18.149 12.614) 22.278 24.298 ( 2.854 12.007 12.327) 17.444 24.771 ( -10.175 9.225 -13.997) 19.610 25.120 ( -6.421 -0.700 7.580) 9.958 25.546 ( 3.100 -9.678 8.844) 13.472 25.872 ( 2.648 2.584 -3.155) 4.862 26.076 ( -0.847 2.807 0.449) 2.966 26.396 ( -8.963 13.881 -4.173) 17.042 26.739 ( -9.626 1.729 4.302) 10.685 26.983 ( 0.186 3.445 2.013) 3.994 27.111 ( -3.843 9.453 -3.127) 10.673 27.377 ( -0.368 0.728 2.593) 2.718 27.940 ( 5.325 -15.123 -3.606) 16.434 28.008 ( -3.777 4.255 5.126) 7.658 28.349 ( -1.647 0.013 -1.552) 2.263 28.572 ( 1.210 -3.392 2.019) 4.129 28.641 ( 12.998 8.561 0.477) 15.571 29.015 ( -3.927 -12.040 -5.572) 13.836 29.120 ( -0.803 -9.162 -3.139) 9.719 29.180 ( -2.450 -4.120 -3.041) 5.677 29.332 ( -2.201 -8.396 -3.615) 9.402 29.450 ( 5.095 -0.723 -10.811) 11.973 29.482 ( 5.246 -1.129 -5.047) 7.367 30.180 ( 3.549 12.714 8.346) 15.617 30.463 ( -14.506 0.544 4.026) 15.064 30.934 ( 1.788 4.216 20.341) 20.850 31.173 ( 8.665 -5.670 4.443) 11.268 31.373 ( -8.678 0.927 -4.490) 9.815 31.735 ( 2.325 -3.971 3.831) 5.988 31.917 ( 1.647 1.056 -3.847) 4.316 32.154 ( -9.501 -9.519 4.035) 14.041 32.540 ( -2.950 -1.985 -1.184) 3.747 32.752 ( 3.102 -0.076 1.524) 3.457 32.898 ( 4.427 3.773 2.435) 6.306 33.228 ( 4.719 -7.685 -17.162) 19.387 33.509 ( -0.932 3.892 5.812) 7.057 33.791 ( -2.441 -2.021 4.964) 5.889 34.463 ( 4.870 2.291 -8.686) 10.218 34.616 ( 1.009 -1.960 -4.719) 5.208 37.616 ( -1.414 0.456 -1.821) 2.350 37.691 ( 2.419 4.257 -1.711) 5.187 37.896 ( -2.350 -0.078 2.140) 3.179 38.271 ( 6.097 -4.616 0.425) 7.659 38.972 ( 0.477 5.794 0.276) 5.820 39.012 ( -1.196 6.504 -2.533) 7.081 39.199 ( 1.206 3.248 2.192) 4.100 39.239 ( -1.211 1.462 -1.510) 2.426 39.399 ( 2.620 4.993 -0.426) 5.654 39.524 ( -7.831 1.122 -0.554) 7.930 39.569 ( 1.054 2.267 3.563) 4.352 39.598 ( -4.274 0.157 -3.818) 5.733 39.734 ( -6.076 -0.422 -2.196) 6.475 39.811 ( 5.515 7.873 -11.650) 15.104 39.922 ( -3.717 -3.437 2.639) 5.709 40.083 ( 4.727 2.330 2.319) 5.757 40.295 ( 0.907 1.819 10.092) 10.294 40.577 ( 3.674 -13.459 8.435) 16.303 41.220 ( 3.846 -15.202 12.589) 20.110 41.276 ( 11.257 5.126 13.984) 18.669 41.585 ( -4.621 -6.570 -3.369) 8.711 41.911 ( -3.767 -3.534 1.739) 5.450 42.185 ( -2.210 7.393 4.471) 8.918 42.347 ( 0.936 -0.070 3.685) 3.803 42.601 ( 1.141 -3.323 -3.313) 4.829 42.887 ( 3.572 12.044 -10.863) 16.608 43.236 ( 2.167 -3.274 4.377) 5.880 43.724 ( 1.731 -0.680 -10.387) 10.552 43.888 ( -1.349 3.164 -2.645) 4.339 44.086 ( -12.517 0.706 -0.180) 12.538 44.533 ( 3.657 6.562 -5.284) 9.184 44.680 ( -2.356 4.095 -9.976) 11.038 ======================= Grid point 60 (28/80) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -2.758 25.928 14.365) 29.770 1.180 ( -16.613 38.083 3.952) 41.737 1.541 ( -17.208 45.958 8.300) 49.771 2.029 ( 6.252 15.524 -8.336) 18.696 2.206 ( 3.593 4.498 -12.767) 14.005 2.332 ( 20.563 -10.454 -13.371) 26.663 2.513 ( 1.631 0.372 12.040) 12.156 2.700 ( -3.032 10.347 3.263) 11.265 2.793 ( 4.740 -3.227 1.635) 5.963 2.912 ( 3.579 -0.039 0.536) 3.620 2.928 ( 4.481 3.044 -0.533) 5.443 3.180 ( -3.095 1.142 10.530) 11.034 3.296 ( -5.600 0.085 6.284) 8.418 3.330 ( -2.443 4.333 -6.617) 8.278 3.482 ( 0.127 -1.807 2.021) 2.714 3.565 ( 1.807 0.953 9.188) 9.413 3.786 ( 6.374 7.099 -7.689) 12.254 4.018 ( -1.872 -1.508 8.658) 8.986 4.289 ( -1.991 -2.437 1.175) 3.360 4.326 ( -0.150 5.588 -17.062) 17.954 4.474 ( -8.232 -1.160 8.438) 11.845 4.511 ( 0.079 -2.558 10.376) 10.687 4.570 ( -9.460 -6.539 4.323) 12.286 4.743 ( -4.431 -2.250 1.835) 5.298 4.868 ( -0.117 -0.287 5.151) 5.160 5.043 ( 1.846 2.191 -9.607) 10.026 5.139 ( 1.301 0.092 10.108) 10.192 5.408 ( 0.398 1.322 -0.380) 1.432 5.544 ( -0.684 -4.061 -3.700) 5.536 5.624 ( 6.500 -3.417 8.234) 11.033 5.767 ( -3.294 0.633 4.358) 5.500 5.833 ( -1.730 -1.301 -10.389) 10.612 5.923 ( 6.064 2.520 -1.233) 6.681 5.962 ( 1.598 -0.712 5.140) 5.430 6.057 ( -1.804 3.189 -8.921) 9.643 6.207 ( 4.699 7.122 8.549) 12.078 6.369 ( -0.932 1.373 -10.161) 10.295 6.560 ( 2.152 1.421 -2.529) 3.612 6.839 ( -0.197 7.094 2.585) 7.553 6.991 ( -2.129 -0.727 0.054) 2.250 7.032 ( 4.589 4.915 13.820) 15.369 7.195 ( 6.666 3.053 -4.604) 8.658 7.350 ( 6.029 1.179 -3.871) 7.261 7.428 ( 7.210 -3.909 5.161) 9.690 7.598 ( 0.005 -3.862 1.370) 4.097 7.654 ( -6.802 2.011 2.019) 7.375 7.823 ( 1.061 9.105 10.181) 13.699 8.035 ( -7.339 -9.315 -2.662) 12.154 8.136 ( -1.323 -4.851 -4.433) 6.703 8.321 ( 6.482 6.662 -0.495) 9.309 8.524 ( 9.034 3.700 1.118) 9.826 8.615 ( -0.972 0.174 -1.786) 2.041 8.839 ( 0.370 2.635 -3.677) 4.539 9.028 ( -0.273 -2.980 -0.348) 3.013 9.076 ( -3.248 -8.687 -3.402) 9.879 9.124 ( 1.249 -7.649 -1.605) 7.915 9.178 ( 4.948 2.718 -10.545) 11.961 9.264 ( -9.404 -4.677 -4.564) 11.452 9.475 ( -4.580 4.305 -4.948) 8.000 9.519 ( -2.143 2.599 -4.252) 5.424 10.155 ( 1.695 -6.031 -0.136) 6.266 10.267 ( -0.119 -3.382 6.576) 7.396 10.276 ( -0.008 -4.840 6.047) 7.746 10.416 ( 2.481 -8.563 -0.703) 8.943 11.061 ( -3.201 2.011 -2.551) 4.561 11.156 ( 2.755 3.935 2.462) 5.398 11.237 ( -4.494 0.232 -1.603) 4.777 11.587 ( 4.013 -3.556 0.570) 5.392 11.811 ( -0.208 0.865 -0.320) 0.945 12.125 ( 2.693 -4.027 0.138) 4.847 12.157 ( -4.319 -5.463 -2.013) 7.249 12.398 ( 1.709 -5.173 2.393) 5.950 12.883 ( -2.773 0.296 -1.443) 3.140 12.933 ( 1.940 0.544 0.199) 2.024 13.138 ( -2.161 -8.136 4.768) 9.674 13.304 ( -0.717 -9.130 -0.363) 9.166 13.712 ( 3.549 -0.157 -2.457) 4.319 13.776 ( 4.383 -2.493 -0.962) 5.134 13.870 ( 0.920 4.549 -0.034) 4.641 13.997 ( 2.069 4.350 -0.977) 4.915 14.184 ( -6.438 4.837 0.730) 8.086 14.354 ( -2.504 11.218 -3.472) 12.007 14.788 ( 1.132 7.684 6.892) 10.384 14.844 ( -1.231 7.748 -2.660) 8.284 14.986 ( -0.620 3.090 4.835) 5.771 15.358 ( -0.247 -16.478 -5.868) 17.493 15.676 ( 1.314 2.466 7.380) 7.891 15.855 ( -2.769 -1.374 -9.118) 9.628 15.999 ( 0.355 -4.209 2.916) 5.133 16.170 ( -1.936 -3.577 9.774) 10.587 16.438 ( -1.145 3.324 -11.803) 12.315 16.616 ( -0.465 -2.564 -1.851) 3.196 16.777 ( -3.272 4.750 13.135) 14.345 16.929 ( 0.520 3.948 14.211) 14.759 17.101 ( -3.392 8.166 -0.177) 8.844 17.432 ( -1.720 7.123 -5.390) 9.097 17.596 ( 0.303 11.055 -4.991) 12.133 17.836 ( -5.805 -4.784 0.345) 7.530 18.175 ( 0.262 -3.034 -2.259) 3.792 18.229 ( 2.107 1.038 0.573) 2.418 18.319 ( 12.208 4.732 2.929) 13.416 18.551 ( -1.380 -0.926 1.171) 2.033 18.627 ( -1.735 -6.793 0.221) 7.014 18.679 ( -4.470 -3.066 -2.173) 5.840 18.728 ( -0.294 -2.909 -1.137) 3.137 18.926 ( 5.273 3.016 1.513) 6.260 18.957 ( -2.053 -2.212 -2.919) 4.199 19.111 ( -4.448 -5.120 -1.976) 7.065 19.191 ( -3.081 3.448 -1.493) 4.859 19.265 ( -0.041 5.169 -2.623) 5.797 19.321 ( 2.311 -0.137 -1.783) 2.922 19.474 ( 0.595 1.481 0.537) 1.683 19.520 ( -1.074 5.426 0.631) 5.567 19.726 ( 9.053 -0.924 3.354) 9.699 19.970 ( 4.011 0.988 -10.895) 11.652 20.050 ( 3.525 -4.147 -2.092) 5.831 20.173 ( -4.890 -4.746 -1.305) 6.939 20.231 ( -2.633 -6.287 2.518) 7.266 20.247 ( -2.654 -5.080 5.075) 7.656 20.584 ( -1.093 -6.435 -5.897) 8.797 20.647 ( 2.092 2.374 0.362) 3.184 20.735 ( 0.101 -7.865 3.159) 8.476 20.998 ( -1.560 -3.785 -17.598) 18.068 21.918 ( 11.601 -19.594 -3.813) 23.088 22.346 ( 0.354 -0.099 0.959) 1.027 22.397 ( -0.464 -0.810 -1.029) 1.390 22.459 ( -1.335 -8.163 -1.497) 8.406 22.496 ( -0.431 -6.224 0.257) 6.244 22.893 ( 0.355 0.989 -1.105) 1.525 22.928 ( 0.476 1.988 -2.171) 2.982 23.062 ( -0.171 -1.366 0.260) 1.402 23.137 ( -0.208 -1.690 -1.249) 2.112 23.950 ( -2.609 5.701 -2.125) 6.620 24.332 ( -5.148 10.532 2.850) 12.064 24.438 ( 3.883 4.554 7.134) 9.312 24.653 ( 2.324 14.977 9.008) 17.632 25.068 ( -4.142 6.319 5.199) 9.171 25.634 ( -5.616 -6.157 5.657) 10.072 25.917 ( 6.860 -3.026 -1.035) 7.569 26.043 ( -2.933 12.374 -2.126) 12.893 26.189 ( -7.961 19.985 -0.300) 21.514 26.597 ( -9.603 1.858 3.393) 10.353 26.986 ( -4.625 0.497 5.588) 7.271 27.071 ( 4.820 6.556 -5.839) 10.015 27.375 ( -4.684 -2.108 2.755) 5.828 27.840 ( -7.938 -9.350 -6.710) 13.980 28.013 ( -2.299 2.039 6.850) 7.508 28.317 ( -0.442 2.723 -0.639) 2.832 28.600 ( -0.210 -4.529 2.321) 5.093 28.733 ( 2.401 11.325 -16.738) 20.351 28.940 ( 1.901 -18.447 -1.892) 18.641 29.139 ( -0.382 -5.087 -1.261) 5.254 29.207 ( 9.799 -5.059 4.899) 12.067 29.239 ( -3.036 -9.527 -6.306) 11.821 29.432 ( 4.360 0.883 -10.163) 11.094 29.539 ( 5.642 -3.203 -4.561) 7.930 30.277 ( -6.571 9.303 7.467) 13.619 30.297 ( -2.421 9.418 3.646) 10.386 31.053 ( -19.099 -17.716 16.454) 30.812 31.220 ( -2.512 -4.202 9.600) 10.776 31.372 ( 7.852 -7.752 4.382) 11.872 31.763 ( -3.383 -5.109 -2.468) 6.606 31.875 ( -1.239 3.375 -5.229) 6.346 32.034 ( 0.308 0.931 4.442) 4.549 32.516 ( -1.635 -1.025 0.580) 2.015 32.760 ( -1.648 -4.337 0.558) 4.673 32.962 ( 1.299 1.480 0.769) 2.114 33.191 ( 10.508 13.781 -21.875) 27.908 33.547 ( -2.344 2.124 6.787) 7.488 33.845 ( 1.479 -5.209 9.214) 10.688 34.465 ( 4.105 2.165 -9.170) 10.277 34.581 ( 0.872 -1.067 -6.011) 6.167 37.582 ( -0.598 0.345 -0.549) 0.882 37.743 ( 4.952 5.233 -2.799) 7.730 37.860 ( -3.409 -0.631 0.681) 3.533 38.333 ( 2.428 -5.047 -3.851) 6.797 38.976 ( -0.088 5.943 -0.090) 5.944 38.989 ( 0.208 6.081 0.201) 6.088 39.187 ( -0.253 1.369 -1.685) 2.186 39.274 ( 1.072 3.178 4.666) 5.746 39.398 ( -5.203 1.362 0.776) 5.434 39.465 ( 3.112 1.882 0.455) 3.665 39.514 ( -1.169 1.822 -3.165) 3.834 39.589 ( -1.166 3.071 0.863) 3.396 39.651 ( -2.751 0.734 0.930) 2.995 39.768 ( -2.633 1.154 -1.893) 3.442 39.918 ( 3.534 4.766 -3.082) 6.686 40.060 ( -1.923 6.267 -2.403) 6.982 40.502 ( 2.038 -8.730 5.331) 10.430 40.824 ( 15.882 -6.228 10.407) 19.983 41.211 ( -9.841 -10.792 -3.596) 15.041 41.463 ( -4.213 -8.143 -6.328) 11.140 41.648 ( 11.346 7.509 14.377) 19.794 41.823 ( -1.807 -1.230 3.767) 4.355 42.290 ( 6.665 3.464 0.949) 7.571 42.516 ( 7.636 -8.430 8.285) 14.072 42.595 ( 6.574 -7.015 2.381) 9.904 42.959 ( 11.080 9.557 2.762) 14.891 43.286 ( -0.874 2.222 5.135) 5.664 43.696 ( 4.710 0.145 -7.555) 8.904 43.784 ( -11.591 2.375 1.211) 11.894 43.915 ( -4.574 3.401 6.056) 8.317 44.570 ( 2.502 1.187 -7.043) 7.568 44.629 ( 8.072 6.527 -0.602) 10.397 ======================= Grid point 61 (29/80) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -9.841 22.451 17.717) 30.245 1.876 ( -0.700 23.294 8.701) 24.876 2.004 ( 0.203 5.541 -0.784) 5.600 2.102 ( -5.498 8.177 -17.792) 20.338 2.186 ( 3.828 -14.331 0.959) 14.864 2.460 ( -1.371 3.651 3.065) 4.960 2.644 ( -0.780 -2.453 5.946) 6.479 2.818 ( 3.158 -3.124 -8.090) 9.230 2.868 ( -3.938 6.215 12.101) 14.162 3.034 ( 3.128 2.351 -1.471) 4.180 3.134 ( -1.022 11.666 10.998) 16.065 3.272 ( -3.911 4.719 7.028) 9.325 3.385 ( -2.387 4.640 0.490) 5.241 3.404 ( 8.287 6.788 1.821) 10.866 3.519 ( 5.481 8.970 8.806) 13.713 3.662 ( 0.500 -10.802 -0.717) 10.837 3.864 ( -1.518 -9.376 -2.427) 9.804 3.958 ( -4.986 2.105 -0.486) 5.434 4.123 ( 4.987 9.958 0.199) 11.139 4.312 ( -5.497 -3.253 10.398) 12.203 4.392 ( 3.125 0.629 -6.736) 7.452 4.459 ( -0.269 -4.797 12.956) 13.818 4.623 ( 1.659 5.118 7.381) 9.133 4.769 ( -0.993 -0.633 8.134) 8.219 4.806 ( 3.849 -2.768 0.577) 4.776 4.997 ( -6.212 -7.499 0.665) 9.760 5.144 ( 3.516 -1.855 -1.695) 4.321 5.391 ( -3.632 6.178 -6.038) 9.370 5.405 ( 1.737 -3.256 -3.535) 5.111 5.685 ( 0.145 0.587 -4.893) 4.930 5.727 ( 1.154 -3.028 -4.154) 5.268 5.760 ( 0.449 2.841 5.251) 5.987 5.838 ( -4.889 -1.387 0.873) 5.156 5.995 ( 3.100 -0.621 -7.580) 8.213 6.164 ( -1.946 7.185 -10.518) 12.885 6.290 ( 0.149 -2.691 0.416) 2.727 6.594 ( 0.848 13.343 4.518) 14.112 6.699 ( -4.758 10.422 1.467) 11.551 6.913 ( 1.448 6.776 -3.915) 7.959 7.027 ( -9.008 3.241 -0.180) 9.575 7.146 ( -1.072 6.213 2.286) 6.707 7.240 ( 0.508 2.409 -2.994) 3.876 7.345 ( -8.709 -0.110 -9.212) 12.678 7.414 ( 2.532 -1.452 0.165) 2.923 7.598 ( -1.794 0.049 2.436) 3.026 7.598 ( -0.464 -1.892 2.517) 3.183 7.817 ( -4.546 5.304 -0.640) 7.015 7.924 ( 0.076 -7.782 -6.450) 10.108 8.118 ( -6.099 -0.979 3.587) 7.143 8.265 ( 2.236 -7.201 -0.082) 7.541 8.632 ( -4.048 -20.578 -2.852) 21.165 8.690 ( 5.265 5.247 3.273) 8.122 8.741 ( 7.006 -9.376 8.233) 14.310 8.871 ( 5.579 -9.959 2.540) 11.694 8.977 ( -1.486 7.446 -3.928) 8.548 9.087 ( 11.481 0.713 -8.271) 14.168 9.255 ( 0.458 6.718 -6.746) 9.532 9.409 ( 0.862 8.948 4.210) 9.927 9.454 ( 2.977 -0.524 0.184) 3.029 9.549 ( 3.372 3.338 -1.260) 4.909 10.057 ( -1.721 -5.748 -0.535) 6.024 10.103 ( -0.740 -4.410 3.969) 5.979 10.150 ( -1.682 -4.151 -0.707) 4.534 10.337 ( 5.492 -9.642 10.398) 15.207 11.105 ( -0.927 5.073 -3.357) 6.153 11.204 ( -1.675 3.306 -0.879) 3.809 11.229 ( -0.647 -0.481 0.062) 0.809 11.491 ( -0.872 -6.813 -2.869) 7.444 11.846 ( 1.684 -0.070 0.380) 1.728 11.946 ( -2.409 -4.530 -1.164) 5.261 12.107 ( -0.727 -2.158 -1.179) 2.564 12.243 ( -2.780 -8.015 -3.399) 9.139 12.891 ( 0.809 1.278 1.704) 2.279 12.973 ( -2.347 -0.316 0.467) 2.413 13.017 ( 1.772 -2.577 4.784) 5.716 13.160 ( 2.457 -7.937 3.009) 8.836 13.740 ( 1.406 0.304 -2.633) 3.000 13.771 ( 1.069 -1.611 -1.492) 2.442 13.930 ( -0.949 3.437 -2.653) 4.444 14.002 ( -1.532 0.062 -4.396) 4.655 14.316 ( -0.432 13.331 3.175) 13.711 14.629 ( 3.169 12.155 -0.709) 12.581 14.829 ( -5.180 3.328 -0.932) 6.227 14.962 ( -2.671 2.029 1.562) 3.700 15.013 ( 0.606 -12.523 -1.648) 12.645 15.226 ( 3.693 2.212 4.887) 6.513 15.607 ( -5.487 -3.684 -5.708) 8.732 15.717 ( -0.968 3.160 -2.955) 4.434 15.964 ( 0.483 0.589 5.442) 5.495 16.129 ( -0.127 -4.149 10.008) 10.835 16.392 ( 1.929 -6.126 0.963) 6.494 16.513 ( 8.985 -7.186 4.924) 12.514 16.953 ( -6.505 10.979 -0.685) 12.779 17.074 ( -8.211 15.319 -11.539) 20.863 17.289 ( -5.391 13.145 1.054) 14.247 17.418 ( -2.832 -6.881 -4.016) 8.455 17.802 ( 1.360 13.412 -4.016) 14.066 17.895 ( 4.353 4.695 8.228) 10.426 18.118 ( 3.165 -4.258 4.008) 6.648 18.260 ( 0.276 -0.303 1.603) 1.655 18.356 ( -7.854 -2.164 -7.243) 10.901 18.486 ( -2.194 -12.188 0.822) 12.411 18.524 ( 2.891 -5.206 2.603) 6.499 18.554 ( -0.741 -6.657 0.339) 6.707 18.706 ( 1.085 -2.411 0.570) 2.704 18.730 ( -0.290 -5.631 -0.885) 5.708 19.066 ( -1.463 7.414 -3.271) 8.235 19.116 ( -3.277 5.889 -2.819) 7.305 19.228 ( 1.137 0.529 0.025) 1.254 19.297 ( -0.387 -0.720 0.438) 0.927 19.390 ( 5.509 1.228 -4.092) 6.971 19.522 ( 1.616 4.023 -0.484) 4.362 19.628 ( 2.286 4.974 2.947) 6.217 19.691 ( -5.611 -5.631 -4.469) 9.120 19.821 ( 3.970 -9.503 -10.308) 14.571 19.932 ( 5.560 -9.011 2.133) 10.801 20.157 ( -3.997 -1.606 2.489) 4.975 20.180 ( -0.288 -1.761 2.773) 3.297 20.263 ( 2.815 6.117 0.035) 6.734 20.369 ( -2.071 -1.982 -8.113) 8.605 20.542 ( 0.484 -7.366 -1.387) 7.511 20.653 ( -1.250 -6.893 -5.675) 9.016 20.952 ( 13.838 6.724 -1.258) 15.436 21.537 ( 7.679 -22.919 -5.257) 24.736 22.359 ( -0.063 0.020 0.933) 0.936 22.371 ( 0.622 -0.245 1.184) 1.360 22.395 ( 1.120 -1.225 0.977) 1.926 22.426 ( -0.295 -1.706 1.874) 2.552 22.923 ( 0.190 2.284 -0.571) 2.362 22.973 ( 0.834 2.913 -1.222) 3.267 23.024 ( -0.032 -2.351 0.151) 2.356 23.091 ( 0.459 -2.626 -0.529) 2.718 24.041 ( -2.172 7.196 1.820) 7.734 24.280 ( -4.448 -4.286 7.112) 9.420 24.614 ( -5.263 11.767 -2.496) 13.130 24.977 ( 0.920 -0.972 7.422) 7.542 25.325 ( 2.112 10.092 6.625) 12.255 25.594 ( -1.177 9.051 11.824) 14.937 26.026 ( 3.807 2.327 1.484) 4.703 26.074 ( -5.104 4.899 -8.614) 11.147 26.392 ( -9.945 6.541 -1.587) 12.009 26.673 ( -3.121 -0.438 10.380) 10.848 27.118 ( 1.961 20.773 -1.888) 20.951 27.251 ( 0.389 12.084 1.256) 12.155 27.384 ( 2.675 7.696 -0.679) 8.176 27.723 ( 1.974 -3.746 -3.350) 5.399 28.091 ( -0.837 0.216 7.453) 7.503 28.237 ( 0.062 -15.920 1.817) 16.024 28.450 ( -0.638 -10.087 1.337) 10.195 28.623 ( 2.986 -18.612 3.863) 19.242 28.740 ( 3.623 2.273 -4.037) 5.881 28.953 ( -3.148 2.438 -11.349) 12.027 29.021 ( -0.137 -7.180 -0.009) 7.181 29.218 ( 2.850 -7.452 -2.550) 8.376 29.472 ( 7.557 1.133 -11.163) 13.528 29.544 ( 4.277 -1.776 -6.578) 8.044 30.357 ( -3.642 5.921 12.095) 13.950 30.500 ( -6.069 -2.016 19.137) 20.177 30.807 ( -8.753 18.711 -3.914) 21.024 31.236 ( 1.672 -1.612 4.259) 4.851 31.378 ( 4.283 -3.830 4.658) 7.396 31.596 ( -1.041 -8.062 -2.331) 8.457 32.005 ( 0.758 6.232 2.176) 6.644 32.138 ( 0.732 -0.287 6.681) 6.727 32.476 ( -0.031 -0.323 1.421) 1.458 32.680 ( 1.785 -7.847 3.995) 8.985 32.995 ( -1.837 4.180 -3.884) 5.994 33.206 ( -2.601 -3.068 -15.201) 15.724 33.606 ( -2.274 4.287 2.199) 5.328 33.774 ( -1.898 -5.323 2.660) 6.246 34.477 ( 3.280 1.410 -8.691) 9.396 34.536 ( 2.477 -1.471 -7.092) 7.655 37.608 ( 0.828 1.655 1.101) 2.153 37.726 ( -1.717 -3.674 -0.162) 4.059 37.939 ( 2.124 7.540 -3.187) 8.457 38.206 ( 0.221 -5.846 -5.126) 7.778 39.129 ( -0.407 8.495 0.516) 8.521 39.138 ( 1.481 6.697 1.969) 7.135 39.224 ( 1.368 0.377 1.844) 2.327 39.364 ( -1.925 3.832 2.539) 4.983 39.439 ( -0.172 6.538 -1.007) 6.618 39.469 ( -0.813 -2.401 -1.630) 3.014 39.513 ( 0.259 -0.628 -0.228) 0.717 39.641 ( 1.945 -1.972 1.196) 3.018 39.657 ( -1.464 -0.633 1.171) 1.979 39.711 ( 0.915 1.756 3.190) 3.755 39.932 ( -1.389 -0.162 0.396) 1.453 40.203 ( -6.215 -12.406 0.981) 13.910 40.275 ( 1.520 10.315 -4.195) 11.239 40.671 ( -11.958 -9.011 -8.568) 17.251 40.943 ( -3.008 -3.105 -4.856) 6.501 41.155 ( -1.592 -12.360 -4.766) 13.342 41.743 ( 3.691 5.184 -2.760) 6.936 41.956 ( -0.582 3.570 2.605) 4.458 42.184 ( -1.932 -12.413 -2.925) 12.898 42.476 ( 2.548 -13.307 7.024) 15.262 42.716 ( 0.272 8.400 8.280) 11.798 43.022 ( -5.222 -3.137 1.182) 6.205 43.596 ( 12.754 5.273 -1.254) 13.858 43.667 ( -7.163 5.774 0.138) 9.201 43.796 ( 5.413 1.772 0.098) 5.697 43.941 ( -2.935 -2.608 5.590) 6.831 44.679 ( 6.488 3.905 3.110) 8.186 44.836 ( 9.296 -3.264 4.749) 10.937 ======================= Grid point 62 (30/80) ======================= q-point: ( 0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -9.509 21.151 13.062) 26.616 1.800 ( -10.713 1.210 -15.579) 18.946 1.933 ( 2.946 5.674 -4.720) 7.946 2.048 ( -1.485 3.366 11.246) 11.833 2.252 ( 0.767 -12.132 4.782) 13.063 2.435 ( -4.876 -1.497 1.588) 5.342 2.609 ( -5.334 -3.077 1.118) 6.259 2.782 ( -3.024 5.116 1.171) 6.058 2.839 ( -9.839 -5.605 11.355) 16.036 3.082 ( 4.403 1.187 -3.906) 6.004 3.130 ( -6.963 4.417 6.533) 10.520 3.318 ( 0.323 -2.229 -1.198) 2.550 3.336 ( 1.911 3.400 0.824) 3.987 3.502 ( 1.318 -0.913 -3.368) 3.730 3.588 ( -6.820 -13.875 7.199) 17.054 3.764 ( 10.472 0.700 6.633) 12.415 3.953 ( 4.089 9.531 0.885) 10.409 4.011 ( 11.094 6.784 15.800) 20.463 4.268 ( 6.295 10.674 -4.512) 13.188 4.315 ( 1.698 1.449 -0.546) 2.298 4.374 ( -2.571 2.094 7.336) 8.050 4.545 ( -2.590 -0.146 9.025) 9.390 4.711 ( 1.651 -0.590 7.153) 7.364 4.799 ( -0.810 8.283 1.066) 8.391 4.875 ( 3.287 -0.774 2.923) 4.466 4.986 ( 3.865 -2.426 5.113) 6.853 5.171 ( 1.568 0.934 -4.799) 5.134 5.277 ( -3.748 9.978 -4.312) 11.498 5.385 ( -2.806 -5.192 -0.497) 5.923 5.650 ( -2.733 4.323 -4.603) 6.880 5.680 ( 0.524 -0.514 -8.971) 9.001 5.724 ( -5.828 3.760 0.497) 6.953 5.810 ( 0.468 0.892 4.197) 4.316 5.949 ( -0.923 -2.393 -4.167) 4.893 6.026 ( -2.349 2.526 -12.723) 13.182 6.280 ( -3.723 -7.603 5.562) 10.129 6.524 ( -4.598 19.318 -6.473) 20.886 6.665 ( -3.455 2.727 3.168) 5.423 6.868 ( -5.005 1.533 2.795) 5.934 6.918 ( -0.587 4.796 -2.177) 5.299 7.085 ( -1.796 10.132 -5.381) 11.612 7.178 ( -4.119 1.721 -2.320) 5.031 7.249 ( -0.952 6.876 1.185) 7.042 7.422 ( -6.216 -6.602 2.369) 9.372 7.498 ( -8.202 0.227 -0.490) 8.220 7.557 ( -7.038 -3.584 2.618) 8.321 7.739 ( -1.487 -8.338 -1.199) 8.554 7.938 ( 4.835 5.475 2.734) 7.799 8.098 ( 1.888 -8.305 0.065) 8.517 8.332 ( 0.416 -6.365 -1.688) 6.598 8.566 ( -0.309 -17.943 1.886) 18.044 8.702 ( -3.005 -3.381 -5.100) 6.817 8.786 ( -3.292 -4.551 2.303) 6.071 8.945 ( 4.040 6.140 -3.092) 7.973 9.096 ( 8.900 -2.682 5.112) 10.608 9.152 ( 8.566 -0.156 -16.711) 18.779 9.292 ( 0.831 -1.177 -1.003) 1.756 9.375 ( 5.032 7.627 3.299) 9.715 9.560 ( 2.474 -2.156 0.826) 3.384 9.636 ( 4.372 -0.889 -1.522) 4.714 10.054 ( -4.385 1.362 -0.081) 4.593 10.102 ( 5.315 5.488 4.166) 8.702 10.175 ( 2.449 3.199 3.629) 5.422 10.458 ( -0.932 -1.191 4.196) 4.460 11.111 ( 3.883 -1.555 1.012) 4.303 11.141 ( -3.237 2.104 -2.220) 4.454 11.244 ( 1.643 -1.265 1.032) 2.316 11.405 ( -4.424 -1.594 -4.270) 6.352 11.892 ( 0.327 -1.898 1.261) 2.302 11.918 ( 1.556 -9.199 -0.152) 9.331 12.069 ( -2.350 -4.136 -0.573) 4.792 12.133 ( -4.438 -6.837 -5.705) 9.949 12.936 ( -0.845 -0.649 1.809) 2.100 12.948 ( 1.504 -0.218 2.110) 2.600 13.096 ( 1.787 0.377 4.245) 4.621 13.237 ( 2.901 -8.051 2.928) 9.045 13.733 ( 0.337 0.837 -1.197) 1.499 13.755 ( -1.010 0.775 -0.980) 1.607 13.881 ( -1.405 2.445 -3.462) 4.465 13.920 ( -2.200 0.487 -6.139) 6.539 14.350 ( 0.906 12.935 1.786) 13.089 14.649 ( -1.122 4.607 -0.272) 4.749 14.798 ( 2.322 1.369 3.270) 4.238 14.904 ( -5.668 -2.571 -2.011) 6.540 15.005 ( -0.085 -3.407 -0.360) 3.427 15.282 ( 1.643 -10.793 -4.344) 11.750 15.522 ( -0.710 10.139 3.423) 10.725 15.730 ( 1.820 1.702 2.980) 3.884 15.988 ( -0.483 9.354 0.754) 9.397 16.212 ( 0.248 -0.705 7.379) 7.417 16.474 ( 3.282 -6.264 3.198) 7.762 16.638 ( 2.005 18.349 -2.000) 18.566 16.854 ( -4.164 9.062 -9.796) 13.979 16.975 ( 5.564 -15.821 10.531) 19.803 17.231 ( -3.431 6.708 5.667) 9.428 17.350 ( -2.419 -4.255 -1.183) 5.036 17.661 ( -7.473 5.170 -14.763) 17.336 18.046 ( 0.819 6.577 3.058) 7.300 18.145 ( -0.539 -2.777 2.507) 3.780 18.253 ( 1.347 0.243 -2.299) 2.676 18.310 ( 2.982 1.777 5.921) 6.864 18.412 ( -1.831 -24.234 -4.990) 24.810 18.475 ( -2.109 -4.272 -4.372) 6.466 18.611 ( 1.103 -7.260 0.092) 7.344 18.717 ( -1.539 -1.196 2.055) 2.833 18.762 ( 3.169 -3.102 3.166) 5.449 18.991 ( -3.486 1.827 -3.749) 5.435 19.052 ( 0.176 1.782 -2.581) 3.142 19.212 ( -1.909 -3.282 -1.071) 3.945 19.286 ( -1.166 -2.869 -1.233) 3.333 19.397 ( -0.142 2.194 -4.250) 4.785 19.531 ( -0.229 5.116 -1.888) 5.459 19.574 ( -2.855 -4.203 -4.551) 6.821 19.699 ( 3.034 4.933 1.727) 6.043 19.863 ( 3.197 -8.601 -1.212) 9.255 19.918 ( -4.988 -1.305 -0.159) 5.159 20.153 ( 0.809 -4.974 2.788) 5.760 20.242 ( 4.203 2.415 0.549) 4.878 20.316 ( 0.468 -2.285 1.431) 2.736 20.346 ( 9.003 -2.903 -0.839) 9.496 20.550 ( 0.418 -1.111 -7.041) 7.140 20.588 ( -0.394 -5.074 -2.051) 5.487 21.214 ( 16.760 8.156 -2.758) 18.842 21.589 ( 6.670 -11.123 -11.485) 17.324 22.360 ( -0.790 0.291 1.004) 1.310 22.387 ( -0.764 -0.346 1.434) 1.662 22.435 ( 0.704 -0.545 0.545) 1.044 22.439 ( 1.882 -1.158 1.465) 2.651 22.922 ( 0.232 2.340 -0.580) 2.422 22.979 ( 1.141 3.194 -1.338) 3.646 23.026 ( -0.030 -2.547 0.300) 2.565 23.099 ( 0.937 -2.671 -0.485) 2.872 24.025 ( -2.130 8.876 3.539) 9.790 24.271 ( -3.602 -0.641 6.055) 7.075 24.526 ( -6.541 8.116 5.464) 11.769 24.981 ( 0.126 -9.430 -3.383) 10.019 25.448 ( -0.095 16.281 13.989) 21.465 25.669 ( -5.143 17.269 10.106) 20.659 25.942 ( 0.580 5.424 -3.102) 6.275 26.093 ( -1.946 7.313 2.973) 8.130 26.198 ( -7.201 -10.634 -2.000) 12.997 26.708 ( -1.378 -10.672 5.009) 11.869 27.173 ( 7.524 20.661 -3.670) 22.293 27.289 ( 1.755 11.871 1.862) 12.144 27.484 ( 7.439 12.147 0.831) 14.268 27.696 ( 0.028 -5.875 -6.398) 8.686 28.141 ( 1.057 -3.165 3.559) 4.879 28.270 ( 0.858 -9.110 2.981) 9.624 28.466 ( -0.592 -6.548 3.441) 7.420 28.649 ( -1.702 -4.584 -4.025) 6.333 28.793 ( 1.959 -3.615 0.217) 4.117 28.870 ( 5.764 -2.979 -4.636) 7.974 29.031 ( 0.944 -7.429 0.724) 7.524 29.211 ( 0.445 -9.660 -5.198) 10.978 29.490 ( 5.485 0.938 -9.841) 11.305 29.542 ( 1.997 -1.522 -5.986) 6.491 30.385 ( -6.382 8.127 10.128) 14.469 30.569 ( -5.473 -3.979 19.429) 20.573 30.706 ( 1.533 21.163 -3.771) 21.551 31.271 ( 1.022 -5.349 -3.917) 6.708 31.506 ( 5.044 -1.666 6.407) 8.322 31.540 ( -0.696 0.138 -5.093) 5.142 32.037 ( -2.387 4.963 8.768) 10.354 32.171 ( -4.151 -1.410 5.868) 7.325 32.529 ( 2.491 -2.468 3.757) 5.139 32.732 ( 0.382 -5.420 1.651) 5.678 32.905 ( -4.610 1.743 -6.366) 8.051 32.993 ( -3.436 -6.997 -11.728) 14.082 33.581 ( -2.377 3.790 1.701) 4.786 33.760 ( -2.141 -6.127 2.821) 7.076 34.466 ( 4.090 0.289 -8.748) 9.661 34.521 ( 2.921 -2.616 -6.670) 7.738 37.647 ( 2.116 0.433 1.736) 2.771 37.693 ( -1.412 -1.400 -0.768) 2.132 37.949 ( 1.462 6.072 -1.361) 6.392 38.147 ( -1.398 -3.805 -5.265) 6.644 39.125 ( -0.399 8.972 0.530) 8.997 39.180 ( 2.219 7.009 0.398) 7.363 39.275 ( 0.504 2.783 1.016) 3.006 39.352 ( -1.561 0.604 2.781) 3.245 39.407 ( 0.252 5.465 -1.539) 5.683 39.461 ( 1.072 -1.108 -1.933) 2.473 39.532 ( 1.809 -1.898 0.627) 2.696 39.648 ( -0.833 -0.127 2.796) 2.920 39.686 ( 3.295 -1.824 -0.318) 3.780 39.833 ( 4.687 -3.900 7.531) 9.691 39.909 ( -1.436 -1.371 -0.180) 1.993 40.086 ( -5.787 -11.439 -2.671) 13.095 40.214 ( -6.954 4.044 -0.181) 8.047 40.447 ( -5.573 -4.062 -3.587) 7.773 40.821 ( -6.131 -3.341 -0.694) 7.016 41.054 ( -3.645 -7.093 -7.021) 10.625 41.812 ( 1.656 10.365 -1.986) 10.683 41.852 ( -4.262 2.885 -2.941) 5.927 42.172 ( -1.035 -11.441 3.593) 12.036 42.522 ( 1.592 -17.986 -3.914) 18.475 42.750 ( -4.922 7.302 8.837) 12.475 42.922 ( -8.219 0.079 4.771) 9.504 43.540 ( -8.033 11.164 2.950) 14.067 43.773 ( 9.297 0.961 -2.502) 9.676 43.894 ( 4.246 -0.238 -4.415) 6.129 43.962 ( 1.022 -5.219 5.662) 7.768 44.827 ( 6.234 5.624 3.623) 9.145 44.980 ( 3.232 -0.350 1.038) 3.413 ======================= Grid point 63 (31/80) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 3.317 9.190 -2.133) 10.000 1.532 ( -2.693 -5.671 -16.293) 17.461 1.880 ( -3.233 -2.696 -3.717) 5.616 2.104 ( -1.770 -1.722 8.936) 9.271 2.274 ( -4.906 -10.485 2.323) 11.806 2.353 ( -5.453 3.669 5.524) 8.585 2.565 ( -2.797 -6.734 7.667) 10.581 2.727 ( -9.725 11.891 16.117) 22.265 2.790 ( -3.361 -12.044 -0.383) 12.510 3.053 ( -1.922 3.189 -2.128) 4.288 3.123 ( -2.219 -4.180 4.658) 6.640 3.202 ( -1.706 -4.708 -7.413) 8.946 3.389 ( -3.843 1.592 2.806) 5.018 3.532 ( -3.062 -10.771 9.773) 14.862 3.587 ( 3.617 6.871 -0.360) 7.773 3.950 ( 0.166 8.096 -6.172) 10.182 4.024 ( 9.176 -6.254 -0.941) 11.144 4.170 ( 5.321 0.181 -6.518) 8.416 4.272 ( 0.620 4.911 9.650) 10.845 4.325 ( -4.317 2.605 -3.043) 5.890 4.513 ( 4.369 12.639 4.581) 14.136 4.566 ( -2.928 3.842 8.498) 9.774 4.775 ( 1.485 6.421 5.963) 8.888 4.867 ( 2.538 2.552 2.764) 4.538 4.900 ( -3.549 5.518 -2.312) 6.956 5.055 ( -2.949 -4.330 -5.871) 7.869 5.142 ( 8.070 12.807 -3.820) 15.612 5.197 ( -1.856 1.488 -3.634) 4.344 5.358 ( 1.467 0.918 4.896) 5.193 5.516 ( -7.848 3.295 -4.617) 9.683 5.626 ( 1.191 6.304 1.764) 6.654 5.683 ( -3.214 7.839 3.533) 9.179 5.834 ( -4.663 7.281 5.053) 10.014 5.889 ( 3.082 -9.381 -10.612) 14.496 5.952 ( 1.659 -6.113 3.240) 7.115 6.301 ( -0.644 -7.622 10.613) 13.082 6.418 ( -2.676 12.954 -10.947) 17.170 6.650 ( -0.254 1.798 7.343) 7.564 6.822 ( -4.095 4.576 7.070) 9.364 6.926 ( 0.575 4.024 -1.056) 4.200 7.011 ( -3.151 9.918 -7.434) 12.789 7.101 ( -0.788 0.508 -0.471) 1.049 7.224 ( -3.071 7.404 1.399) 8.136 7.303 ( -6.316 1.265 4.021) 7.593 7.366 ( -4.931 -1.416 -1.765) 5.426 7.517 ( -2.391 -11.229 9.147) 14.679 7.761 ( -0.204 -9.510 1.288) 9.599 8.012 ( -0.250 0.258 -2.438) 2.465 8.131 ( 4.130 2.070 0.425) 4.639 8.319 ( 2.406 -7.922 0.033) 8.279 8.510 ( -5.472 -21.653 -3.136) 22.553 8.648 ( -1.312 -0.054 -3.611) 3.843 8.747 ( -1.250 -1.849 3.438) 4.099 8.994 ( 5.920 2.189 -7.676) 9.938 9.167 ( 3.212 -4.384 -8.056) 9.718 9.197 ( 5.468 1.353 -9.112) 10.712 9.291 ( 4.527 4.544 -2.257) 6.799 9.475 ( 0.489 1.020 2.486) 2.732 9.583 ( 0.190 -2.757 -1.358) 3.079 9.657 ( 0.098 -5.440 -0.566) 5.471 10.017 ( 2.270 9.099 0.949) 9.426 10.219 ( 3.083 1.365 -2.225) 4.039 10.255 ( -1.737 8.159 6.093) 10.330 10.412 ( -2.314 4.480 -0.091) 5.043 11.101 ( 0.138 2.969 -0.681) 3.049 11.188 ( 1.960 -0.369 0.425) 2.040 11.248 ( -1.362 0.538 0.779) 1.659 11.356 ( 1.308 -4.832 0.147) 5.008 11.878 ( -0.815 -3.789 -0.728) 3.944 11.977 ( 1.774 -13.106 2.707) 13.500 11.992 ( -2.995 -2.813 -2.806) 4.976 12.077 ( 0.241 -6.495 1.468) 6.664 12.920 ( -1.361 1.895 0.670) 2.428 13.008 ( 2.150 -1.079 1.479) 2.824 13.129 ( -1.349 1.196 1.835) 2.572 13.286 ( 0.743 -8.884 0.369) 8.922 13.711 ( -2.129 2.534 -3.694) 4.960 13.738 ( 0.347 1.636 -0.872) 1.886 13.847 ( 0.472 1.910 -0.620) 2.062 13.862 ( 0.878 0.244 -2.098) 2.288 14.373 ( 1.579 9.502 0.479) 9.644 14.624 ( -4.356 -1.274 3.682) 5.844 14.803 ( -1.588 -3.705 -0.412) 4.052 14.881 ( 3.149 -2.657 0.475) 4.148 15.003 ( -0.010 3.553 -0.667) 3.615 15.249 ( 0.069 -5.699 -1.649) 5.933 15.586 ( 0.411 9.729 3.197) 10.249 15.755 ( -0.362 2.005 -1.127) 2.328 16.011 ( 1.176 8.269 5.197) 9.837 16.259 ( -1.917 3.100 5.918) 6.950 16.484 ( 0.467 -2.980 -6.567) 7.227 16.654 ( 3.271 23.602 0.502) 23.833 16.832 ( 2.181 10.956 8.042) 13.765 17.121 ( -2.997 -20.185 3.383) 20.685 17.257 ( 2.914 -3.203 3.539) 5.592 17.327 ( -10.367 -1.311 -11.043) 15.204 17.438 ( 5.658 1.718 7.972) 9.925 17.985 ( -1.948 8.956 -2.739) 9.566 18.201 ( -0.174 -0.630 -3.328) 3.391 18.286 ( 3.806 -18.607 3.997) 19.409 18.367 ( -1.020 -2.269 -2.511) 3.534 18.403 ( 2.926 -17.308 -0.904) 17.577 18.443 ( 1.339 1.679 2.166) 3.050 18.607 ( -0.048 -3.606 -1.848) 4.052 18.681 ( -4.416 -1.245 2.443) 5.198 18.844 ( 2.456 -3.703 -0.492) 4.470 18.934 ( 0.242 -1.473 0.423) 1.552 19.063 ( 2.760 -3.115 -2.373) 4.791 19.170 ( -1.315 -1.921 -0.464) 2.374 19.214 ( -4.109 -4.340 -2.076) 6.327 19.380 ( 2.166 1.862 -2.490) 3.789 19.481 ( -2.982 -4.103 -4.248) 6.616 19.523 ( 0.233 1.839 0.250) 1.871 19.756 ( 3.336 -2.462 -1.619) 4.451 19.794 ( -4.100 4.325 -0.947) 6.034 19.929 ( -0.717 -4.225 4.746) 6.394 20.188 ( -0.062 -2.449 1.519) 2.882 20.256 ( 0.999 2.897 -3.867) 4.934 20.385 ( 1.243 -2.066 -1.731) 2.968 20.454 ( 0.838 3.133 -2.833) 4.307 20.557 ( 10.133 -6.835 4.599) 13.059 20.569 ( 0.135 -4.893 -5.450) 7.325 21.404 ( 11.570 7.486 -11.718) 18.089 21.578 ( 5.938 0.523 -14.925) 16.071 22.347 ( -1.931 0.350 0.573) 2.045 22.370 ( -1.522 -0.909 1.089) 2.080 22.451 ( 1.014 0.393 -0.704) 1.295 22.475 ( 0.861 -1.843 0.491) 2.092 22.921 ( 0.284 2.292 -0.507) 2.364 22.986 ( 1.079 3.341 -1.416) 3.786 23.027 ( -0.201 -2.626 0.306) 2.651 23.110 ( 0.914 -2.707 -0.844) 2.979 24.032 ( -1.966 9.079 5.992) 11.055 24.270 ( -1.902 1.936 5.363) 6.010 24.477 ( -8.143 8.837 12.002) 16.984 24.981 ( 3.965 -10.807 -3.971) 12.177 25.505 ( -4.253 12.230 4.888) 13.841 25.523 ( -12.978 15.362 -1.928) 20.202 25.935 ( -0.360 0.764 -6.131) 6.189 26.078 ( 0.142 10.022 6.087) 11.727 26.246 ( 1.245 -10.454 18.557) 21.335 26.713 ( -1.496 -15.794 2.960) 16.138 27.288 ( 7.397 13.889 -2.406) 15.919 27.328 ( 1.486 20.981 0.779) 21.048 27.573 ( 4.208 3.052 -4.901) 7.144 27.662 ( 1.499 5.875 -3.255) 6.881 28.189 ( 2.141 -5.034 0.671) 5.511 28.284 ( -1.824 -1.169 0.624) 2.254 28.471 ( -1.348 -4.783 1.519) 5.197 28.564 ( -1.410 1.356 -3.490) 4.001 28.817 ( 1.074 -11.633 1.037) 11.729 28.987 ( 6.662 -5.335 -1.939) 8.752 29.061 ( 1.355 -7.303 2.128) 7.726 29.160 ( -0.006 -10.739 -4.978) 11.837 29.490 ( 4.141 0.710 -9.837) 10.697 29.516 ( 1.810 -0.568 -6.913) 7.169 30.326 ( -7.402 11.454 6.971) 15.316 30.631 ( -4.163 -5.043 11.586) 13.304 30.769 ( 2.174 14.263 8.492) 16.741 31.193 ( -0.232 -2.768 -12.878) 13.174 31.511 ( 1.788 6.206 -2.090) 6.788 31.642 ( 4.310 -2.779 1.971) 5.494 32.067 ( -6.150 1.063 7.748) 9.949 32.100 ( -6.391 1.621 7.163) 9.736 32.580 ( 0.075 -2.868 1.428) 3.204 32.726 ( -0.152 1.039 -1.978) 2.239 32.748 ( -3.227 -1.803 -3.508) 5.096 32.969 ( 3.681 -14.918 -2.916) 15.640 33.563 ( -1.568 4.064 2.324) 4.937 33.752 ( -1.974 -5.614 3.356) 6.832 34.463 ( 4.254 -0.079 -8.194) 9.233 34.525 ( 3.659 -3.633 -5.175) 7.305 37.671 ( -0.334 0.722 -0.710) 1.066 37.696 ( 1.443 -0.779 1.457) 2.194 37.960 ( 0.612 3.992 -0.908) 4.139 38.088 ( -0.186 -2.371 -3.622) 4.332 39.123 ( -0.421 9.412 0.349) 9.428 39.222 ( 1.429 7.522 1.136) 7.741 39.249 ( -0.091 7.251 -2.935) 7.823 39.323 ( -2.735 0.994 0.127) 2.913 39.463 ( 2.059 -3.806 1.206) 4.492 39.481 ( 2.359 1.019 1.038) 2.771 39.577 ( 3.588 -0.994 1.148) 3.896 39.677 ( 1.543 0.418 3.032) 3.427 39.747 ( 1.946 -2.074 2.406) 3.725 39.853 ( -3.633 -2.332 -1.967) 4.744 39.892 ( -1.667 -6.323 -3.197) 7.279 39.986 ( -4.503 -0.280 1.306) 4.697 40.205 ( 1.248 -6.696 12.822) 14.519 40.356 ( -3.426 -9.304 -0.372) 9.922 40.742 ( -4.765 0.106 0.605) 4.804 40.960 ( -0.036 -2.031 -3.488) 4.036 41.673 ( -4.604 4.649 -5.978) 8.863 41.914 ( 1.546 8.507 5.701) 10.357 42.162 ( -1.340 -12.854 -1.974) 13.074 42.505 ( 0.631 -16.169 -3.668) 16.592 42.702 ( -7.098 9.218 5.360) 12.810 42.864 ( -3.882 -0.544 6.383) 7.491 43.440 ( -5.500 12.168 -0.135) 13.354 43.816 ( -2.765 -6.029 -1.640) 6.833 43.917 ( 5.684 3.624 -4.474) 8.091 44.052 ( 4.445 -4.111 1.536) 6.246 44.915 ( 2.117 6.023 -1.653) 6.595 44.964 ( -1.974 4.774 -5.773) 7.747 ======================= Grid point 64 (32/80) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 4.517 -2.319 -15.068) 15.900 1.478 ( 11.853 -9.843 -10.188) 18.471 1.871 ( 4.876 4.638 3.262) 7.479 2.156 ( 2.314 -6.103 -3.388) 7.354 2.199 ( -4.694 6.791 8.325) 11.724 2.348 ( -2.755 2.772 8.824) 9.651 2.593 ( -2.993 -7.168 1.705) 7.953 2.693 ( -3.995 3.022 4.813) 6.947 2.748 ( -8.195 -3.496 16.856) 19.066 3.021 ( 1.754 5.938 -5.617) 8.360 3.073 ( -7.437 -2.010 6.509) 10.086 3.212 ( 4.428 -1.542 0.114) 4.690 3.353 ( -1.245 -0.683 0.789) 1.625 3.448 ( -7.200 9.128 -6.930) 13.534 3.638 ( 0.487 -0.984 1.675) 2.002 3.858 ( 0.046 3.215 -7.207) 7.891 4.097 ( -8.645 1.526 -1.844) 8.970 4.123 ( 1.316 -9.727 -6.653) 11.858 4.254 ( -5.316 0.341 1.320) 5.488 4.318 ( -3.342 2.473 1.986) 4.607 4.417 ( -8.430 13.690 -6.252) 17.250 4.602 ( 1.928 10.414 8.876) 13.818 4.696 ( -2.477 8.856 -10.625) 14.052 4.844 ( -4.997 -3.465 -1.854) 6.357 4.951 ( 4.241 4.496 11.425) 12.990 5.047 ( 1.069 1.139 -1.500) 2.166 5.130 ( 0.492 -4.722 -2.449) 5.343 5.244 ( -3.297 3.849 -3.687) 6.267 5.348 ( -0.953 -0.712 -0.176) 1.203 5.494 ( 6.749 -0.087 4.915) 8.349 5.632 ( -0.039 -0.810 0.187) 0.832 5.725 ( 3.667 2.308 1.094) 4.469 5.819 ( 0.280 -1.497 2.806) 3.193 5.947 ( 0.687 7.065 8.933) 11.410 6.078 ( 1.564 2.864 6.556) 7.323 6.281 ( 3.794 12.597 -5.114) 14.115 6.430 ( 2.769 2.271 12.085) 12.605 6.697 ( 1.310 -5.456 -0.113) 5.613 6.835 ( -1.142 1.961 -9.107) 9.386 6.898 ( -0.226 10.212 -4.442) 11.139 6.948 ( 3.172 2.585 8.830) 9.732 7.103 ( -3.116 1.514 -0.232) 3.472 7.212 ( -1.231 8.671 2.583) 9.131 7.296 ( 2.757 -1.445 5.387) 6.222 7.380 ( 3.480 6.157 10.947) 13.033 7.629 ( -1.772 -10.374 11.520) 15.604 7.681 ( 0.748 -11.052 -3.538) 11.629 7.955 ( -1.896 5.672 -1.995) 6.305 8.233 ( -0.468 2.777 -0.950) 2.972 8.325 ( 3.280 -11.136 2.874) 11.960 8.531 ( 4.218 -23.956 4.488) 24.735 8.562 ( -1.252 2.214 -6.505) 6.985 8.736 ( -1.703 -2.938 -1.338) 3.650 9.001 ( 3.073 -3.325 -12.364) 13.167 9.047 ( -5.210 3.755 -9.440) 11.417 9.184 ( 5.017 1.527 -14.560) 15.475 9.346 ( -2.578 1.577 -0.920) 3.159 9.473 ( 1.912 3.263 -0.485) 3.812 9.566 ( -1.640 -3.952 0.980) 4.390 9.674 ( 3.097 -3.940 1.134) 5.138 10.069 ( -0.362 5.555 -4.218) 6.984 10.147 ( -3.590 6.631 1.933) 7.784 10.234 ( -1.368 -2.480 -4.488) 5.307 10.390 ( -3.247 0.370 0.452) 3.299 11.087 ( 0.652 2.370 -0.414) 2.493 11.233 ( -1.064 2.311 1.708) 3.064 11.279 ( 2.107 -1.877 2.627) 3.855 11.346 ( -0.167 -3.474 -0.872) 3.586 11.876 ( 1.281 -2.182 0.103) 2.532 11.946 ( 0.339 -0.744 -0.415) 0.917 12.043 ( 0.481 -12.440 4.422) 13.211 12.127 ( 2.806 -6.933 3.505) 8.259 12.903 ( -0.848 2.746 -0.099) 2.875 13.031 ( -1.298 -2.875 0.893) 3.279 13.089 ( -2.505 1.892 -1.245) 3.377 13.263 ( -2.242 -8.772 -2.299) 9.341 13.652 ( 0.245 2.147 -3.866) 4.429 13.717 ( -0.003 -0.085 -3.366) 3.367 13.877 ( 1.915 3.363 2.007) 4.359 13.916 ( 3.887 0.564 2.092) 4.450 14.419 ( 0.911 7.291 1.878) 7.584 14.599 ( -0.319 1.407 5.911) 6.084 14.838 ( 2.948 5.653 -1.535) 6.557 14.910 ( -0.010 -1.891 0.101) 1.894 14.951 ( -3.454 -6.390 0.462) 7.279 15.307 ( 3.433 -8.112 4.757) 10.011 15.499 ( -5.569 12.158 -5.849) 14.596 15.792 ( 1.719 3.474 4.691) 6.085 16.035 ( -2.764 -3.557 0.013) 4.505 16.227 ( -4.825 7.897 -0.149) 9.256 16.491 ( 2.818 0.296 2.226) 3.603 16.765 ( 3.883 20.490 7.418) 22.135 16.929 ( -9.216 -4.683 -11.328) 15.336 16.982 ( 0.811 9.215 4.276) 10.191 17.099 ( 0.638 0.707 2.373) 2.557 17.414 ( 3.142 -7.233 8.386) 11.512 17.687 ( 8.359 -2.870 15.335) 17.699 17.963 ( 1.371 9.961 -2.536) 10.370 18.149 ( -3.315 -4.241 -4.808) 7.218 18.263 ( -1.371 0.548 -5.278) 5.481 18.363 ( -3.147 -4.281 1.938) 5.656 18.426 ( -0.198 -10.178 -0.843) 10.215 18.503 ( 3.937 -10.912 1.902) 11.756 18.589 ( -0.084 -1.881 -1.732) 2.558 18.654 ( -1.506 -7.962 4.398) 9.220 18.811 ( -2.035 -4.113 -6.865) 8.257 18.951 ( 1.643 -1.348 2.190) 3.052 19.105 ( 0.074 -5.093 0.090) 5.094 19.182 ( 1.338 -1.170 0.988) 2.033 19.208 ( 5.795 -1.599 2.121) 6.375 19.367 ( -0.846 -0.140 -4.460) 4.541 19.445 ( 2.914 0.505 -2.518) 3.884 19.560 ( 2.471 -4.704 3.002) 6.103 19.706 ( -2.674 5.621 -3.186) 6.993 19.829 ( 4.498 -4.825 0.282) 6.602 19.951 ( -2.383 -2.326 5.134) 6.120 20.157 ( -3.362 -3.047 -3.454) 5.702 20.228 ( 0.575 2.990 -4.758) 5.649 20.296 ( -0.846 1.923 -4.559) 5.020 20.457 ( -3.407 -7.487 -6.476) 10.469 20.575 ( 4.751 2.008 1.567) 5.390 20.726 ( 3.373 -3.667 5.439) 7.377 21.421 ( 6.933 1.626 -18.050) 19.404 21.497 ( 0.143 2.349 -18.517) 18.666 22.321 ( -0.943 0.181 0.567) 1.116 22.366 ( -0.333 -2.308 1.188) 2.618 22.446 ( -0.479 -0.019 -1.666) 1.734 22.470 ( -1.099 -2.261 -0.950) 2.687 22.923 ( 0.359 2.236 -0.306) 2.285 22.989 ( 0.719 3.195 -1.536) 3.617 23.026 ( -0.189 -2.473 0.230) 2.491 23.114 ( 0.518 -2.782 -1.169) 3.062 24.056 ( -2.178 7.265 7.133) 10.412 24.303 ( -1.597 -0.584 8.480) 8.649 24.470 ( -4.514 14.882 12.746) 20.107 25.030 ( 3.112 -10.654 -2.007) 11.280 25.281 ( -8.169 13.403 -6.835) 17.120 25.416 ( -4.964 4.320 -2.519) 7.046 25.923 ( 2.342 5.291 -2.307) 6.229 26.124 ( -0.264 5.144 5.591) 7.602 26.451 ( -0.714 -2.637 22.798) 22.961 26.725 ( -1.092 -14.598 4.888) 15.433 27.307 ( -2.475 18.542 -2.268) 18.844 27.357 ( 1.307 16.489 -1.254) 16.588 27.605 ( -1.013 17.682 -6.605) 18.903 27.637 ( 4.897 -7.722 -2.838) 9.574 28.197 ( -2.810 7.218 -0.888) 7.796 28.242 ( -1.292 -9.845 0.858) 9.967 28.465 ( -0.335 -7.660 0.825) 7.711 28.549 ( 1.524 -7.657 -3.019) 8.370 28.860 ( 2.466 -5.055 2.897) 6.326 28.978 ( -2.049 -7.406 -5.396) 9.390 29.085 ( -0.915 -6.610 0.735) 6.713 29.192 ( 4.455 -9.060 -0.459) 10.106 29.458 ( 3.810 0.793 -11.679) 12.311 29.491 ( 3.608 -0.151 -9.908) 10.545 30.296 ( -3.420 9.807 8.491) 13.415 30.596 ( -10.431 -5.553 8.955) 14.827 30.900 ( 1.213 8.191 13.874) 16.157 31.109 ( 4.694 3.820 -12.692) 14.061 31.537 ( 0.216 4.181 -0.194) 4.191 31.644 ( -2.376 -4.589 -3.081) 6.017 31.968 ( -3.556 2.702 -0.307) 4.477 32.107 ( -5.828 -3.053 8.439) 10.701 32.561 ( -2.341 -0.742 0.073) 2.457 32.691 ( 0.509 -1.189 -1.279) 1.819 32.811 ( 7.004 0.258 3.349) 7.767 33.005 ( 3.266 -13.121 -2.285) 13.713 33.572 ( -0.555 4.894 3.744) 6.187 33.749 ( -1.831 -3.853 3.353) 5.426 34.471 ( 4.575 0.383 -7.267) 8.596 34.551 ( 3.652 -3.802 -4.065) 6.657 37.665 ( -0.162 1.585 -0.663) 1.726 37.712 ( -0.212 -0.434 0.711) 0.860 37.949 ( -0.209 3.174 -1.794) 3.652 38.097 ( 3.521 -3.751 -1.198) 5.283 39.116 ( -0.384 9.149 0.071) 9.157 39.209 ( -1.341 8.931 -2.038) 9.258 39.267 ( 1.430 6.538 0.316) 6.700 39.287 ( -0.843 1.052 -0.052) 1.349 39.452 ( -1.204 -2.675 -2.118) 3.618 39.533 ( 0.459 -2.026 3.660) 4.209 39.653 ( 0.046 -0.958 3.596) 3.721 39.690 ( -6.043 2.632 -2.207) 6.951 39.780 ( 3.990 -2.439 0.869) 4.757 39.808 ( -0.777 -4.051 -3.985) 5.735 39.868 ( 5.738 1.535 2.382) 6.399 39.964 ( -1.890 3.823 7.448) 8.582 40.265 ( -3.212 -8.875 8.012) 12.380 40.422 ( 1.476 -5.227 6.395) 8.390 40.686 ( 1.905 -5.513 2.645) 6.404 41.005 ( 4.404 -7.919 2.007) 9.281 41.595 ( 0.468 4.813 -3.448) 5.939 41.948 ( -4.564 3.247 5.722) 8.007 42.143 ( 5.368 -8.219 -5.927) 11.467 42.438 ( -7.415 -7.941 -0.383) 10.872 42.658 ( -1.451 9.516 2.371) 9.914 42.895 ( 1.463 -3.946 5.043) 6.568 43.349 ( -3.008 11.722 -3.588) 12.622 43.730 ( -2.428 -6.531 -5.741) 9.028 43.965 ( 3.019 4.239 -2.379) 5.722 44.121 ( 0.952 -3.601 2.853) 4.692 44.810 ( -5.201 8.061 -10.851) 14.484 44.885 ( -1.416 3.511 -9.287) 10.029 ======================= Grid point 65 (33/80) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 1.914 9.965 -5.447) 11.517 1.680 ( 15.998 -9.613 -3.795) 19.045 2.037 ( 6.547 6.545 -1.031) 9.315 2.067 ( -5.025 8.084 -0.303) 9.524 2.298 ( 5.789 14.150 6.502) 16.614 2.381 ( -1.562 3.338 4.110) 5.520 2.551 ( 4.191 -4.176 -3.034) 6.649 2.727 ( -2.895 -0.366 6.085) 6.749 2.771 ( -3.614 -0.527 13.462) 13.949 2.986 ( 0.404 11.348 -4.512) 12.218 3.043 ( -1.522 2.256 2.003) 3.379 3.180 ( -10.618 14.422 -4.912) 18.570 3.311 ( 3.630 -1.856 2.624) 4.848 3.388 ( 2.066 -1.028 -1.733) 2.886 3.572 ( -5.925 9.944 -0.814) 11.604 3.841 ( -3.680 2.825 -4.003) 6.128 3.868 ( -3.562 5.372 -7.718) 10.056 4.097 ( -1.421 -14.931 3.535) 15.409 4.174 ( -3.900 11.923 -5.376) 13.648 4.196 ( -4.309 -9.174 8.366) 13.142 4.381 ( -6.358 -0.330 11.734) 13.350 4.597 ( -4.743 4.852 0.507) 6.804 4.652 ( 0.022 3.366 -8.407) 9.056 4.803 ( 1.534 1.096 1.768) 2.585 4.911 ( -8.903 0.226 -7.266) 11.494 5.027 ( -6.499 -11.118 6.009) 14.211 5.093 ( 0.730 1.516 -2.248) 2.808 5.277 ( 9.451 -2.409 -1.231) 9.831 5.397 ( 5.300 1.154 2.494) 5.970 5.621 ( 2.915 3.818 2.603) 5.463 5.704 ( 5.137 -14.732 -3.733) 16.042 5.737 ( 1.027 -0.644 0.157) 1.222 5.900 ( -3.711 2.285 6.524) 7.845 5.989 ( -1.387 3.491 6.412) 7.431 6.053 ( 5.770 9.744 -1.592) 11.436 6.393 ( -1.211 10.283 -3.682) 10.989 6.562 ( 2.799 -0.586 8.929) 9.376 6.753 ( -5.778 8.971 0.946) 10.712 6.768 ( 6.639 7.081 3.289) 10.249 6.900 ( 8.595 5.789 -5.112) 11.555 7.022 ( 1.685 3.819 -0.435) 4.197 7.137 ( 3.352 2.104 9.134) 9.955 7.259 ( 5.612 0.906 2.743) 6.312 7.404 ( 6.301 3.077 -2.864) 7.574 7.491 ( -1.729 0.619 -3.244) 3.728 7.640 ( 4.636 8.145 17.416) 19.777 7.881 ( -4.226 4.235 -2.011) 6.312 7.928 ( 8.251 -17.171 12.462) 22.764 8.182 ( -3.239 -0.706 4.479) 5.572 8.370 ( -3.623 3.063 -2.561) 5.391 8.513 ( 2.856 -18.168 -1.134) 18.426 8.635 ( 4.481 -8.524 -1.718) 9.783 8.741 ( 2.239 -13.357 -0.264) 13.546 8.746 ( -7.526 8.027 -18.460) 21.491 9.003 ( 2.073 0.310 -5.871) 6.234 9.120 ( 0.915 -1.026 -12.192) 12.269 9.246 ( -2.755 2.043 -2.797) 4.426 9.457 ( -2.518 -0.090 -4.160) 4.863 9.575 ( -0.814 2.894 0.874) 3.131 9.724 ( -0.770 -0.018 0.077) 0.774 9.978 ( -1.771 -1.804 -0.752) 2.637 10.128 ( -4.456 -3.936 -3.984) 7.156 10.180 ( 0.981 -0.936 3.475) 3.731 10.301 ( -4.531 -7.570 -4.597) 9.948 11.139 ( 2.571 1.274 2.273) 3.660 11.189 ( -2.215 1.484 0.243) 2.678 11.264 ( -1.814 -0.817 0.445) 2.039 11.415 ( 4.260 -2.395 0.460) 4.909 11.881 ( -1.285 1.388 0.132) 1.896 12.001 ( 4.265 -0.529 1.492) 4.549 12.059 ( -1.745 -9.508 2.587) 10.007 12.213 ( 3.432 -6.786 2.660) 8.056 12.899 ( 0.396 1.276 0.647) 1.485 12.969 ( -4.711 -1.930 -0.361) 5.104 13.061 ( -1.113 -0.210 0.118) 1.139 13.187 ( -3.373 -7.416 -3.019) 8.688 13.664 ( 3.700 0.582 -1.884) 4.192 13.703 ( 2.092 -0.866 -3.103) 3.841 13.930 ( 1.941 4.132 1.528) 4.814 13.997 ( 3.348 0.807 1.467) 3.743 14.393 ( -4.220 7.874 0.825) 8.972 14.685 ( -0.135 8.337 -1.978) 8.570 14.816 ( 1.763 14.074 6.097) 15.439 14.923 ( -0.366 -2.200 3.054) 3.782 14.969 ( 1.851 -17.461 1.403) 17.615 15.266 ( -5.706 7.231 -6.454) 11.247 15.528 ( 5.606 -1.330 9.759) 11.332 15.841 ( 0.184 -8.426 -0.175) 8.430 15.955 ( -4.134 -1.097 -0.058) 4.278 16.121 ( -5.747 6.706 -1.157) 8.907 16.496 ( -3.879 -9.571 -2.836) 10.710 16.625 ( -8.367 -5.679 -11.877) 15.599 16.920 ( 3.010 13.399 7.342) 15.573 17.071 ( 5.240 21.947 12.028) 25.570 17.283 ( 4.311 17.215 12.913) 21.947 17.499 ( 0.835 -8.110 6.097) 10.181 17.879 ( -4.161 6.459 -7.135) 10.486 17.934 ( 0.548 1.612 3.565) 3.950 18.047 ( 0.949 -3.695 -2.597) 4.615 18.216 ( -2.155 -2.463 -2.720) 4.256 18.290 ( -1.010 5.376 -0.193) 5.473 18.432 ( 1.139 -9.187 2.743) 9.656 18.567 ( -0.162 -7.618 0.026) 7.620 18.580 ( 1.382 -6.502 0.245) 6.652 18.675 ( -0.243 -6.985 1.074) 7.072 18.747 ( 0.620 -5.518 -1.934) 5.880 19.024 ( 3.591 3.838 0.498) 5.279 19.091 ( -0.574 -1.553 1.525) 2.251 19.221 ( 1.812 -1.903 0.853) 2.763 19.299 ( 2.063 -1.775 -0.920) 2.873 19.326 ( 1.303 0.843 -4.516) 4.775 19.521 ( 5.273 3.763 1.553) 6.661 19.629 ( 1.894 -7.261 -0.980) 7.568 19.652 ( -0.458 4.775 -0.737) 4.853 19.846 ( -0.386 1.572 -4.088) 4.397 19.966 ( 0.899 -9.699 1.893) 9.923 20.068 ( -0.882 -2.080 -2.461) 3.340 20.218 ( 2.159 3.845 -2.817) 5.233 20.268 ( -4.507 -4.987 -3.634) 7.642 20.371 ( 2.839 -6.149 -0.406) 6.785 20.636 ( -0.014 2.587 0.489) 2.633 20.761 ( -2.092 0.460 2.623) 3.386 21.211 ( -8.696 -1.149 -22.355) 24.014 21.418 ( 7.426 -13.925 -15.116) 21.853 22.326 ( 0.604 -0.029 0.797) 1.000 22.372 ( -0.294 -3.250 0.767) 3.352 22.414 ( -1.162 -0.347 -1.196) 1.703 22.433 ( -1.753 -2.224 -1.255) 3.097 22.926 ( 0.224 2.201 -0.304) 2.233 22.984 ( 0.311 2.907 -1.648) 3.356 23.026 ( -0.076 -2.300 0.220) 2.312 23.106 ( -0.079 -2.830 -1.249) 3.094 24.070 ( -2.675 5.605 5.312) 8.172 24.333 ( -5.546 -5.660 11.208) 13.727 24.567 ( 3.195 17.938 11.702) 21.655 24.956 ( -5.828 3.871 -6.216) 9.359 25.223 ( 4.026 8.540 -3.951) 10.235 25.380 ( 1.168 -6.168 5.303) 8.217 25.933 ( 2.089 7.343 -4.665) 8.947 26.172 ( 0.956 4.341 3.646) 5.749 26.587 ( -4.673 2.815 20.035) 20.765 26.727 ( -5.621 -5.324 4.782) 9.100 27.206 ( -4.390 23.951 -4.081) 24.690 27.348 ( -2.726 11.455 0.554) 11.788 27.466 ( -4.210 11.367 -7.009) 14.002 27.724 ( 4.760 -6.652 -2.806) 8.647 28.119 ( -5.760 6.569 2.234) 9.018 28.237 ( -0.907 -13.835 0.729) 13.884 28.473 ( -0.564 -8.912 2.530) 9.281 28.539 ( 1.528 -18.612 -5.218) 19.390 28.869 ( -3.626 -5.576 -7.015) 9.667 28.964 ( 6.145 2.315 3.404) 7.396 29.064 ( -1.761 -6.379 0.316) 6.625 29.209 ( -0.413 -5.448 -4.062) 6.808 29.439 ( 6.171 0.251 -12.931) 14.330 29.479 ( 5.538 -0.693 -9.297) 10.844 30.349 ( -1.321 4.761 11.337) 12.367 30.467 ( -12.060 -1.153 8.533) 14.818 31.028 ( -1.752 6.617 15.605) 17.040 31.140 ( 6.989 0.904 -4.459) 8.339 31.389 ( -10.964 1.922 -7.137) 13.222 31.643 ( 0.678 -6.294 1.380) 6.479 31.952 ( 1.022 2.741 -0.755) 3.021 32.049 ( -3.204 -2.420 0.437) 4.039 32.522 ( -2.784 0.451 1.807) 3.350 32.682 ( -1.647 -5.855 -0.680) 6.120 32.965 ( 5.106 2.714 1.720) 6.033 33.096 ( 11.272 -5.537 -1.436) 12.641 33.600 ( -0.638 5.152 4.329) 6.759 33.752 ( -1.166 -2.388 3.436) 4.344 34.491 ( 4.671 1.032 -6.806) 8.319 34.567 ( 2.433 -2.894 -4.661) 6.002 37.638 ( -1.886 1.882 -0.948) 2.828 37.727 ( 0.819 -0.890 1.270) 1.754 37.933 ( 0.659 4.330 -2.576) 5.081 38.164 ( 4.819 -6.278 -1.278) 8.016 39.114 ( -0.054 7.896 0.214) 7.899 39.156 ( -2.172 7.910 -1.936) 8.428 39.250 ( -1.392 1.463 -1.328) 2.417 39.322 ( 1.088 5.996 3.780) 7.171 39.433 ( 1.112 0.922 -0.955) 1.731 39.524 ( -2.935 -4.593 -1.572) 5.673 39.580 ( -4.294 1.600 -0.687) 4.633 39.658 ( -1.745 3.987 2.384) 4.962 39.706 ( -4.071 -2.082 -2.353) 5.143 39.812 ( -1.772 -4.308 0.629) 4.701 39.943 ( -0.528 3.925 2.599) 4.738 40.198 ( 14.020 3.370 4.721) 15.172 40.317 ( -0.953 -2.056 7.555) 7.887 40.402 ( 1.188 3.650 6.634) 7.664 40.901 ( 9.269 -16.399 11.734) 22.194 41.090 ( 4.449 -18.685 -0.625) 19.217 41.637 ( 6.279 8.647 0.440) 10.696 41.888 ( -4.172 -0.899 0.222) 4.274 42.214 ( 1.023 -3.260 0.510) 3.455 42.295 ( -2.141 -4.509 -3.681) 6.202 42.661 ( -1.748 9.156 2.603) 9.678 42.979 ( 4.189 -3.353 1.469) 5.563 43.306 ( 1.739 10.194 -1.456) 10.443 43.656 ( 1.212 -6.177 -8.027) 10.201 43.972 ( -1.926 5.098 0.863) 5.518 44.103 ( -6.280 -0.227 1.734) 6.519 44.646 ( -1.192 5.366 -10.349) 11.718 44.744 ( -2.759 1.565 -12.147) 12.554 ======================= Grid point 66 (34/80) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.455 19.289 8.519) 21.091 1.846 ( -2.615 20.232 9.444) 22.480 1.999 ( 4.682 0.140 -2.404) 5.264 2.094 ( 0.289 -2.329 -1.546) 2.810 2.337 ( 0.306 8.256 -13.741) 16.034 2.498 ( 0.408 19.736 -1.657) 19.810 2.515 ( 1.055 -1.835 5.867) 6.237 2.733 ( 7.137 -2.571 -1.403) 7.715 2.851 ( -2.844 5.544 11.539) 13.114 2.993 ( 5.264 10.431 1.771) 11.817 3.019 ( -1.536 9.436 1.814) 9.731 3.182 ( 2.034 0.322 12.510) 12.679 3.372 ( 1.606 7.458 -1.330) 7.744 3.410 ( 0.058 -1.859 3.327) 3.812 3.475 ( -5.010 7.047 -0.710) 8.676 3.673 ( -3.199 4.508 -4.718) 7.268 3.872 ( 2.680 -2.274 -1.622) 3.871 4.060 ( -4.404 0.106 -1.573) 4.678 4.136 ( -1.049 -1.054 -1.259) 1.948 4.286 ( 0.532 -13.187 17.301) 21.760 4.348 ( -8.711 -4.674 11.352) 15.054 4.459 ( -1.593 0.685 -8.458) 8.634 4.631 ( -4.535 7.049 -0.599) 8.403 4.719 ( -1.389 -0.463 0.032) 1.464 4.809 ( -3.542 -4.446 -0.101) 5.686 5.011 ( 0.312 -13.131 4.720) 13.957 5.116 ( 3.055 6.017 -2.539) 7.209 5.389 ( 4.604 -5.584 -2.987) 7.829 5.475 ( -0.119 2.872 -2.127) 3.576 5.680 ( 3.090 3.482 1.222) 4.813 5.712 ( 2.034 -5.266 0.108) 5.647 5.743 ( 0.560 -1.477 -5.120) 5.358 5.879 ( -3.582 -4.373 4.434) 7.184 5.995 ( 1.592 0.530 -2.681) 3.163 6.198 ( 6.012 4.160 -1.290) 7.424 6.305 ( -1.596 1.994 -3.556) 4.379 6.557 ( -3.470 15.673 2.231) 16.207 6.733 ( -1.802 6.986 4.271) 8.384 6.885 ( 3.988 9.170 -0.394) 10.007 7.032 ( 6.912 10.175 2.472) 12.547 7.098 ( 2.344 1.306 4.458) 5.203 7.272 ( 0.590 -1.411 6.962) 7.128 7.326 ( 2.462 -2.809 -6.141) 7.188 7.475 ( 8.457 6.062 1.696) 10.542 7.551 ( 4.050 -0.245 1.101) 4.204 7.658 ( -6.373 0.642 -10.360) 12.180 7.900 ( -3.254 7.944 11.162) 14.081 7.967 ( -3.791 -8.824 -3.025) 10.069 8.128 ( -5.393 7.954 3.439) 10.207 8.410 ( -4.656 -8.509 -6.204) 11.513 8.488 ( 7.295 -9.686 4.716) 13.011 8.566 ( 3.948 2.269 -1.637) 4.839 8.695 ( 0.476 -17.856 -0.731) 17.877 8.805 ( 3.601 -12.453 -0.453) 12.971 9.012 ( 4.114 0.703 -3.751) 5.612 9.042 ( 1.225 0.864 -8.429) 8.561 9.253 ( 5.160 6.741 -0.250) 8.493 9.338 ( -3.710 7.735 -6.248) 10.613 9.519 ( -4.012 2.516 -1.235) 4.894 9.619 ( -6.609 4.887 -4.437) 9.341 10.027 ( 2.749 -5.911 3.245) 7.282 10.095 ( 0.122 -9.653 4.159) 10.512 10.196 ( -3.095 -10.013 -1.179) 10.546 10.210 ( 0.397 -7.895 1.960) 8.145 11.139 ( -0.479 5.381 -1.316) 5.561 11.221 ( 0.830 3.314 1.437) 3.707 11.239 ( -1.377 -0.319 0.224) 1.431 11.478 ( 3.565 -7.485 -1.160) 8.371 11.850 ( -1.312 3.142 -1.005) 3.550 12.004 ( -3.701 -6.451 0.633) 7.464 12.095 ( 2.894 -0.849 0.025) 3.016 12.269 ( 1.156 -7.617 0.312) 7.711 12.896 ( -2.162 1.150 0.114) 2.452 12.939 ( 1.761 -0.052 2.209) 2.825 13.033 ( -3.196 -2.736 1.330) 4.412 13.128 ( -0.810 -7.837 -0.334) 7.886 13.716 ( 3.850 0.183 -2.345) 4.512 13.738 ( 3.746 -1.499 -1.502) 4.305 13.953 ( 0.139 3.907 -0.601) 3.956 14.037 ( 0.763 0.102 -1.315) 1.524 14.330 ( -3.657 11.083 1.748) 11.801 14.617 ( -0.658 13.990 -3.255) 14.379 14.877 ( -2.034 -0.790 2.943) 3.664 14.998 ( 1.679 -16.223 -0.281) 16.312 15.012 ( 1.510 8.878 4.310) 9.984 15.137 ( -2.519 9.627 0.365) 9.958 15.691 ( 1.722 -3.362 4.191) 5.642 15.775 ( -1.260 -6.606 -6.538) 9.379 15.916 ( -2.393 -2.109 2.777) 4.229 16.077 ( -2.980 -3.308 8.831) 9.890 16.400 ( -0.344 -12.295 -3.922) 12.910 16.438 ( -3.207 -4.236 -6.086) 8.078 17.018 ( -1.787 16.935 7.706) 18.692 17.217 ( -1.917 20.149 6.015) 21.115 17.355 ( -2.518 15.440 0.842) 15.667 17.521 ( -2.740 0.178 -3.635) 4.555 17.769 ( 0.727 4.211 0.388) 4.291 17.827 ( -2.977 7.454 -3.414) 8.723 18.079 ( 0.828 -7.120 -0.623) 7.196 18.233 ( 1.675 -2.272 1.608) 3.248 18.361 ( 5.257 1.425 7.078) 8.931 18.479 ( -0.344 -7.645 1.578) 7.814 18.530 ( -2.684 -4.586 -1.299) 5.470 18.588 ( -0.774 -8.141 -0.918) 8.229 18.683 ( 1.153 -2.618 -0.237) 2.871 18.749 ( -0.399 -7.712 -0.381) 7.732 19.071 ( 3.027 8.328 -1.480) 8.984 19.123 ( 2.043 6.370 1.524) 6.861 19.236 ( -1.096 0.597 -0.239) 1.270 19.298 ( -0.590 -1.346 0.392) 1.521 19.338 ( 4.775 1.171 -6.058) 7.802 19.531 ( -2.053 5.042 -1.540) 5.657 19.607 ( -0.371 1.370 -1.222) 1.872 19.709 ( 4.854 -1.468 2.284) 5.562 19.840 ( 2.793 -10.830 -7.650) 13.551 19.936 ( -1.795 -8.621 -5.584) 10.427 20.117 ( 1.549 -2.271 5.928) 6.534 20.160 ( -0.568 -2.232 -0.875) 2.463 20.243 ( 2.231 6.589 -1.459) 7.108 20.461 ( 1.763 -4.351 0.067) 4.695 20.562 ( -4.159 -4.326 -1.907) 6.297 20.754 ( -2.594 -1.284 0.693) 2.977 20.888 ( -2.050 -1.302 -19.922) 20.070 21.450 ( 7.320 -24.986 -6.354) 26.800 22.346 ( 0.565 0.059 1.116) 1.252 22.363 ( -0.473 -1.509 -0.057) 1.582 22.393 ( -0.995 -1.050 -0.328) 1.484 22.413 ( -0.105 -2.421 1.226) 2.716 22.925 ( 0.112 2.213 -0.489) 2.269 22.975 ( 0.297 2.813 -1.455) 3.181 23.025 ( -0.149 -2.284 0.125) 2.292 23.094 ( -0.103 -2.711 -0.931) 2.868 24.060 ( -2.304 5.796 2.605) 6.759 24.309 ( -6.446 -6.478 8.114) 12.221 24.706 ( -0.285 15.396 2.091) 15.540 24.854 ( -0.300 7.832 5.868) 9.791 25.264 ( 4.016 7.328 -2.269) 8.659 25.506 ( 1.005 -7.505 12.610) 14.709 25.939 ( 5.003 7.757 -4.641) 10.332 26.196 ( -0.110 3.097 -2.941) 4.272 26.580 ( -12.406 8.099 0.038) 14.815 26.649 ( -6.387 6.026 16.053) 18.298 27.131 ( -2.401 20.761 0.009) 20.900 27.271 ( -2.684 14.466 -2.492) 14.923 27.396 ( -1.399 4.010 -1.536) 4.516 27.727 ( 0.393 -2.966 -3.754) 4.800 28.067 ( -3.809 1.971 5.868) 7.268 28.230 ( -0.608 -16.145 1.142) 16.197 28.469 ( -1.844 -10.271 0.520) 10.448 28.546 ( 2.712 -21.590 0.637) 21.769 28.763 ( -0.927 0.065 -6.514) 6.580 29.031 ( -1.157 -7.735 0.097) 7.821 29.077 ( 2.098 0.147 -7.328) 7.624 29.162 ( 2.227 -2.765 -0.554) 3.593 29.441 ( 7.407 1.069 -12.550) 14.612 29.513 ( 6.170 -1.557 -7.373) 9.739 30.357 ( -8.040 3.350 10.112) 13.346 30.438 ( -3.844 0.365 15.200) 15.683 31.027 ( -14.330 12.184 5.562) 19.614 31.182 ( -1.027 -1.153 2.665) 3.080 31.265 ( 6.028 -3.027 0.117) 6.746 31.629 ( -1.804 -9.562 -0.684) 9.754 31.973 ( 2.482 5.596 -1.340) 6.266 32.061 ( 2.092 1.208 3.455) 4.216 32.497 ( -2.220 -0.409 1.006) 2.472 32.644 ( -1.495 -7.005 1.593) 7.338 33.020 ( 1.512 4.747 -0.961) 5.074 33.258 ( 8.959 -3.820 -8.236) 12.755 33.615 ( -1.581 4.840 3.391) 6.118 33.768 ( -0.748 -3.163 3.568) 4.826 34.498 ( 3.289 1.489 -7.816) 8.609 34.555 ( 2.048 -1.497 -6.145) 6.648 37.605 ( -1.024 2.177 -0.065) 2.407 37.743 ( -0.480 -3.667 1.013) 3.834 37.931 ( 2.242 6.864 -3.701) 8.114 38.215 ( 3.079 -7.035 -3.315) 8.364 39.110 ( -0.595 5.336 1.157) 5.492 39.131 ( -0.083 9.700 0.172) 9.702 39.218 ( -1.035 0.533 -0.406) 1.233 39.360 ( -0.649 5.799 3.698) 6.908 39.453 ( -1.006 4.315 0.023) 4.430 39.476 ( 1.907 -3.497 -2.112) 4.509 39.525 ( -2.453 1.314 0.987) 2.953 39.618 ( -2.139 -0.598 0.503) 2.277 39.668 ( -0.785 1.188 0.274) 1.450 39.756 ( -4.222 -0.317 -0.644) 4.282 39.946 ( -1.181 1.375 1.626) 2.435 40.267 ( -4.459 -3.193 3.294) 6.397 40.289 ( 2.123 4.016 -5.220) 6.920 40.737 ( 11.641 -3.680 8.889) 15.102 40.989 ( -1.093 -11.133 -4.228) 11.958 41.179 ( 3.134 -17.514 -0.420) 17.797 41.783 ( -0.805 4.743 -3.050) 5.697 41.823 ( 6.126 1.951 4.086) 7.618 42.194 ( 1.313 -6.726 2.495) 7.293 42.367 ( 3.218 -12.100 5.804) 13.801 42.645 ( -0.573 13.702 2.566) 13.952 43.043 ( 2.511 -2.906 -0.830) 3.929 43.400 ( 8.194 8.805 2.645) 12.315 43.653 ( 5.770 -3.902 -5.693) 8.996 43.882 ( -10.048 6.132 1.156) 11.828 43.983 ( -6.328 2.303 1.602) 6.922 44.602 ( 2.664 2.169 -4.915) 5.997 44.679 ( 5.073 -0.283 -1.924) 5.433 ======================= Grid point 67 (35/80) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -2.670 -22.148 8.189) 23.764 1.774 ( -2.670 22.148 8.189) 23.764 2.035 ( -2.619 -0.651 -4.757) 5.469 2.035 ( -2.619 0.651 -4.757) 5.469 2.413 ( -2.613 -9.714 -3.598) 10.683 2.413 ( -2.613 9.714 -3.598) 10.683 2.690 ( -3.051 -7.265 3.139) 8.482 2.690 ( -3.051 7.265 3.139) 8.482 3.023 ( -3.404 -7.218 9.402) 12.332 3.023 ( -3.404 7.218 9.402) 12.332 3.247 ( -2.440 -10.744 -3.614) 11.595 3.247 ( -2.440 10.744 -3.614) 11.595 3.439 ( 3.100 -4.329 3.161) 6.192 3.439 ( 3.100 4.329 3.161) 6.192 3.612 ( -4.501 -8.320 -4.627) 10.530 3.612 ( -4.501 8.320 -4.627) 10.530 3.901 ( 7.444 -10.734 5.777) 14.283 3.901 ( 7.444 10.734 5.777) 14.283 4.276 ( 1.192 -4.853 3.004) 5.830 4.276 ( 1.192 4.853 3.004) 5.830 4.335 ( 2.629 -8.008 6.468) 10.624 4.335 ( 2.629 8.008 6.468) 10.624 4.760 ( -1.699 -0.548 7.912) 8.111 4.760 ( -1.699 0.548 7.912) 8.111 4.792 ( 2.161 -6.926 3.099) 7.889 4.792 ( 2.161 6.926 3.099) 7.889 5.274 ( 0.763 -8.925 -4.079) 9.842 5.274 ( 0.763 8.925 -4.079) 9.842 5.549 ( -0.116 -8.818 -3.324) 9.425 5.549 ( -0.116 8.818 -3.324) 9.425 5.798 ( -2.926 -3.565 4.140) 6.197 5.798 ( -2.926 3.565 4.140) 6.197 5.888 ( 3.568 -9.654 -3.861) 10.992 5.888 ( 3.568 9.654 -3.861) 10.992 6.243 ( -0.794 -2.232 -8.597) 8.917 6.243 ( -0.794 2.232 -8.597) 8.917 6.716 ( -3.161 -2.930 5.869) 7.282 6.716 ( -3.161 2.930 5.869) 7.282 7.133 ( -5.195 -5.567 -1.628) 7.787 7.133 ( -5.195 5.567 -1.628) 7.787 7.222 ( 0.109 -3.919 1.201) 4.100 7.222 ( 0.109 3.919 1.201) 4.100 7.441 ( -3.232 -19.744 -7.928) 21.521 7.441 ( -3.232 19.744 -7.928) 21.521 7.622 ( -3.707 -5.929 3.298) 7.731 7.622 ( -3.707 5.929 3.298) 7.731 7.715 ( 0.750 -8.817 -8.981) 12.608 7.715 ( 0.750 8.817 -8.981) 12.608 8.210 ( -3.646 -18.593 -1.110) 18.980 8.210 ( -3.646 18.593 -1.110) 18.980 8.437 ( -0.123 -14.400 4.811) 15.183 8.437 ( -0.123 14.400 4.811) 15.183 8.786 ( 7.212 -4.456 6.675) 10.790 8.786 ( 7.212 4.456 6.675) 10.790 9.095 ( 8.273 -2.227 -8.443) 12.029 9.095 ( 8.273 2.227 -8.443) 12.029 9.389 ( -1.098 -6.769 -0.584) 6.882 9.389 ( -1.098 6.769 -0.584) 6.882 9.533 ( -1.183 -4.264 -2.068) 4.884 9.533 ( -1.183 4.264 -2.068) 4.884 10.051 ( 1.800 -4.421 1.712) 5.071 10.051 ( 1.800 4.421 1.712) 5.071 10.141 ( 5.271 -7.861 11.273) 14.719 10.141 ( 5.271 7.861 11.273) 14.719 11.201 ( -2.715 -2.883 -2.436) 4.649 11.201 ( -2.715 2.883 -2.436) 4.649 11.311 ( 0.537 -9.111 -1.650) 9.275 11.311 ( 0.537 9.111 -1.650) 9.275 11.886 ( -1.309 -2.890 -1.083) 3.352 11.886 ( -1.309 2.890 -1.083) 3.352 12.118 ( -2.021 -3.908 -2.667) 5.145 12.118 ( -2.021 3.908 -2.667) 5.145 12.927 ( -1.246 -2.586 1.794) 3.385 12.927 ( -1.246 2.586 1.794) 3.385 13.049 ( 2.706 -3.904 3.369) 5.823 13.049 ( 2.706 3.904 3.369) 5.823 13.748 ( 1.412 -0.752 -1.645) 2.295 13.748 ( 1.412 0.752 -1.645) 2.295 13.982 ( -1.128 -1.984 -3.637) 4.294 13.982 ( -1.128 1.984 -3.637) 4.294 14.604 ( -0.415 -15.308 1.075) 15.352 14.604 ( -0.415 15.308 1.075) 15.352 14.862 ( 0.007 -6.929 2.211) 7.273 14.862 ( 0.007 6.929 2.211) 7.273 15.110 ( -3.867 -10.282 -5.258) 12.178 15.110 ( -3.867 10.282 -5.258) 12.178 15.685 ( -0.201 -7.276 0.913) 7.336 15.685 ( -0.201 7.276 0.913) 7.336 16.041 ( 3.558 -8.268 13.207) 15.983 16.041 ( 3.558 8.268 13.207) 15.983 16.342 ( 4.032 -6.648 0.391) 7.785 16.342 ( 4.032 6.648 0.391) 7.785 17.171 ( -9.261 -8.650 -11.476) 17.097 17.171 ( -9.261 8.650 -11.476) 17.097 17.438 ( -3.165 -3.170 -0.936) 4.576 17.438 ( -3.165 3.170 -0.936) 4.576 17.934 ( -2.345 -7.864 -2.611) 8.612 17.934 ( -2.345 7.864 -2.611) 8.612 18.111 ( 3.731 -12.206 4.937) 13.686 18.111 ( 3.731 12.207 4.937) 13.686 18.338 ( -3.557 -0.215 -4.822) 5.995 18.338 ( -3.557 0.215 -4.822) 5.995 18.466 ( 0.642 -1.821 2.823) 3.420 18.466 ( 0.642 1.821 2.823) 3.420 18.706 ( -0.372 -1.227 3.084) 3.340 18.706 ( -0.372 1.227 3.084) 3.340 19.187 ( -4.896 -1.685 -4.551) 6.894 19.187 ( -4.896 1.685 -4.551) 6.894 19.247 ( -0.224 -5.169 -1.029) 5.275 19.247 ( -0.224 5.169 -1.029) 5.275 19.483 ( 3.174 -9.451 -5.586) 11.427 19.483 ( 3.174 9.451 -5.586) 11.427 19.648 ( 3.026 -6.298 -2.627) 7.465 19.648 ( 3.026 6.298 -2.627) 7.465 19.770 ( 3.258 -7.112 2.338) 8.165 19.770 ( 3.258 7.112 2.338) 8.165 20.148 ( -1.639 -0.976 2.352) 3.029 20.148 ( -1.639 0.976 2.352) 3.029 20.363 ( -4.801 -2.436 -6.678) 8.578 20.363 ( -4.801 2.436 -6.678) 8.578 20.506 ( 5.589 -5.714 -1.828) 8.199 20.506 ( 5.589 5.714 -1.828) 8.199 21.166 ( 11.814 -15.461 -0.415) 19.462 21.166 ( 11.814 15.461 -0.415) 19.462 22.362 ( 0.597 -0.505 0.774) 1.100 22.362 ( 0.597 0.505 0.774) 1.100 22.400 ( 0.379 -1.136 1.981) 2.315 22.400 ( 0.379 1.136 1.981) 2.315 22.972 ( 0.098 -2.679 -0.170) 2.687 22.972 ( 0.098 2.679 -0.170) 2.687 23.034 ( 0.543 -3.098 -0.704) 3.223 23.034 ( 0.543 3.098 -0.704) 3.223 24.167 ( -3.404 -6.405 6.413) 9.682 24.167 ( -3.404 6.405 6.413) 9.682 24.842 ( -3.741 -10.815 -3.308) 11.912 24.842 ( -3.741 10.815 -3.308) 11.912 25.548 ( 3.925 -10.704 16.856) 20.350 25.548 ( 3.925 10.704 16.856) 20.350 26.099 ( -0.473 -2.647 -7.036) 7.532 26.099 ( -0.473 2.647 -7.036) 7.532 26.561 ( -9.750 -9.197 3.215) 13.783 26.561 ( -9.750 9.197 3.215) 13.783 27.404 ( 0.538 -2.142 -3.543) 4.175 27.404 ( 0.538 2.142 -3.543) 4.175 27.662 ( 0.812 -13.714 -2.393) 13.945 27.662 ( 0.812 13.714 -2.393) 13.945 27.948 ( 2.688 -4.752 4.746) 7.234 27.948 ( 2.688 4.752 4.746) 7.234 28.382 ( 1.531 -5.276 6.188) 8.275 28.382 ( 1.531 5.276 6.188) 8.275 28.851 ( 0.744 -7.921 -1.777) 8.152 28.851 ( 0.744 7.921 -1.777) 8.152 29.081 ( 0.105 -6.919 -6.230) 9.311 29.081 ( 0.105 6.919 -6.230) 9.311 29.505 ( 5.765 -2.106 -8.885) 10.799 29.505 ( 5.765 2.106 -8.885) 10.799 30.443 ( -5.217 -3.380 16.385) 17.524 30.443 ( -5.217 3.380 16.385) 17.524 31.121 ( -2.339 -11.246 -2.149) 11.686 31.121 ( -2.339 11.246 -2.149) 11.686 31.424 ( 2.787 -7.943 3.496) 9.115 31.424 ( 2.787 7.943 3.496) 9.115 32.103 ( 0.280 -3.723 3.651) 5.222 32.103 ( 0.280 3.723 3.651) 5.222 32.533 ( 0.506 -6.257 2.574) 6.785 32.533 ( 0.506 6.257 2.574) 6.785 33.101 ( -2.968 -6.466 -8.232) 10.880 33.101 ( -2.968 6.466 -8.232) 10.880 33.689 ( -1.923 -4.207 0.736) 4.684 33.689 ( -1.923 4.207 0.736) 4.684 34.507 ( 2.506 -1.595 -8.171) 8.694 34.507 ( 2.506 1.595 -8.171) 8.694 37.657 ( -0.292 -3.319 0.628) 3.390 37.657 ( -0.292 3.319 0.628) 3.390 38.080 ( 1.430 -7.138 -3.949) 8.281 38.080 ( 1.430 7.138 -3.949) 8.281 39.205 ( 0.841 -2.181 3.395) 4.122 39.205 ( 0.841 2.181 3.395) 4.122 39.323 ( -0.541 -9.548 0.152) 9.564 39.323 ( -0.541 9.548 0.152) 9.564 39.461 ( -1.394 -4.214 -0.144) 4.441 39.461 ( -1.394 4.214 -0.144) 4.441 39.580 ( 1.210 -4.932 -0.693) 5.125 39.580 ( 1.210 4.932 -0.693) 5.125 39.697 ( 0.307 -2.825 -0.020) 2.842 39.697 ( 0.307 2.825 -0.020) 2.842 39.990 ( -4.817 -7.372 1.530) 8.938 39.990 ( -4.817 7.372 1.530) 8.938 40.494 ( -4.227 -10.572 -6.574) 13.148 40.494 ( -4.227 10.572 -6.574) 13.148 40.957 ( -2.881 -5.933 -2.959) 7.229 40.957 ( -2.881 5.933 -2.959) 7.229 41.884 ( 5.490 -9.210 -0.829) 10.754 41.884 ( 5.490 9.210 -0.829) 10.754 42.206 ( -2.641 -12.117 1.970) 12.557 42.206 ( -2.641 12.117 1.970) 12.557 42.902 ( -3.051 -8.822 5.199) 10.684 42.902 ( -3.051 8.822 5.199) 10.684 43.686 ( 8.119 -3.087 -2.947) 9.173 43.686 ( 8.119 3.087 -2.947) 9.173 43.871 ( -4.600 -4.832 3.196) 7.397 43.871 ( -4.600 4.832 3.196) 7.397 44.760 ( 7.874 -4.383 4.488) 10.068 44.760 ( 7.874 4.383 4.488) 10.068 ======================= Grid point 69 (36/80) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -13.735 -16.910 3.706) 22.098 1.685 ( -13.735 16.910 3.706) 22.098 1.951 ( 1.632 -3.592 -12.157) 12.781 1.951 ( 1.632 3.592 -12.157) 12.781 2.360 ( -3.441 -10.135 5.374) 11.977 2.360 ( -3.441 10.135 5.374) 11.977 2.632 ( -6.483 -8.408 1.293) 10.696 2.632 ( -6.483 8.408 1.293) 10.696 2.999 ( -9.580 -11.008 13.623) 19.963 2.999 ( -9.580 11.008 13.623) 19.963 3.171 ( -1.252 -5.272 -6.361) 8.356 3.171 ( -1.252 5.272 -6.361) 8.356 3.453 ( -5.080 -4.862 3.241) 7.743 3.453 ( -5.080 4.862 3.241) 7.743 3.615 ( 9.213 -11.504 -0.859) 14.764 3.615 ( 9.213 11.504 -0.859) 14.764 4.091 ( 7.420 -2.277 3.461) 8.498 4.091 ( 7.420 2.277 3.461) 8.498 4.323 ( 4.921 -2.980 -3.309) 6.637 4.323 ( 4.921 2.980 -3.309) 6.637 4.480 ( 1.814 -6.134 10.891) 12.631 4.480 ( 1.814 6.134 10.891) 12.631 4.805 ( -0.426 -7.438 11.523) 13.721 4.805 ( -0.426 7.438 11.523) 13.721 4.897 ( 4.094 -4.073 3.525) 6.766 4.897 ( 4.094 4.073 3.525) 6.766 5.256 ( 0.998 -7.130 -2.521) 7.628 5.256 ( 0.998 7.130 -2.521) 7.628 5.515 ( 0.396 -11.797 -4.590) 12.665 5.515 ( 0.396 11.797 -4.590) 12.665 5.747 ( -3.213 -2.693 -0.405) 4.212 5.747 ( -3.213 2.693 -0.405) 4.212 5.900 ( -0.715 -5.398 0.286) 5.452 5.900 ( -0.715 5.398 0.286) 5.452 6.105 ( -5.983 -6.283 -8.900) 12.429 6.105 ( -5.983 6.283 -8.900) 12.429 6.683 ( -4.636 -1.553 2.127) 5.333 6.683 ( -4.636 1.553 2.127) 5.333 6.997 ( -3.851 -6.422 -5.518) 9.302 6.997 ( -3.851 6.422 -5.518) 9.302 7.232 ( -3.137 -7.666 2.918) 8.782 7.232 ( -3.137 7.666 2.918) 8.782 7.298 ( -3.637 -16.580 -3.478) 17.327 7.298 ( -3.637 16.580 -3.478) 17.327 7.540 ( -5.795 -4.336 0.488) 7.254 7.540 ( -5.795 4.336 0.488) 7.254 7.760 ( 3.313 -20.425 0.860) 20.710 7.760 ( 3.313 20.425 0.860) 20.710 8.159 ( -1.977 -14.147 -1.071) 14.325 8.159 ( -1.977 14.147 -1.071) 14.325 8.431 ( -0.980 -9.019 -0.026) 9.072 8.431 ( -0.980 9.019 -0.026) 9.072 8.931 ( 3.482 -8.299 1.375) 9.104 8.931 ( 3.482 8.299 1.375) 9.104 9.125 ( 5.924 -4.456 -8.124) 10.997 9.125 ( 5.924 4.456 -8.124) 10.997 9.380 ( -0.185 -9.790 1.392) 9.890 9.380 ( -0.185 9.790 1.392) 9.890 9.561 ( 3.793 -6.260 -1.135) 7.407 9.561 ( 3.793 6.260 -1.135) 7.407 10.097 ( 2.890 -2.210 0.740) 3.713 10.097 ( 2.890 2.210 0.740) 3.713 10.347 ( 4.566 -9.572 10.941) 15.237 10.347 ( 4.566 9.572 10.941) 15.237 11.129 ( -1.328 -2.679 -1.747) 3.463 11.129 ( -1.328 2.679 -1.747) 3.463 11.308 ( 0.140 -6.838 -1.724) 7.053 11.308 ( 0.140 6.838 -1.724) 7.053 11.852 ( -1.513 -1.862 -1.184) 2.676 11.852 ( -1.513 1.862 -1.184) 2.676 12.042 ( -3.210 -1.756 -2.820) 4.619 12.042 ( -3.210 1.756 -2.820) 4.619 12.939 ( 0.689 -0.603 2.116) 2.306 12.939 ( 0.689 0.603 2.116) 2.306 13.131 ( 2.392 -3.362 3.680) 5.529 13.131 ( 2.392 3.362 3.680) 5.529 13.752 ( 0.636 -0.909 -0.718) 1.321 13.752 ( 0.636 0.909 -0.718) 1.321 13.916 ( -1.935 -1.062 -5.133) 5.587 13.916 ( -1.935 1.062 -5.133) 5.587 14.617 ( -1.019 -13.022 3.469) 13.514 14.617 ( -1.019 13.022 3.469) 13.514 14.784 ( -6.572 -10.431 -2.983) 12.685 14.784 ( -6.572 10.431 -2.983) 12.685 15.102 ( 4.722 -8.176 -1.148) 9.511 15.102 ( 4.722 8.176 -1.148) 9.511 15.696 ( 1.054 -6.637 1.275) 6.840 15.696 ( 1.054 6.637 1.275) 6.840 16.223 ( 2.637 -11.170 10.421) 15.503 16.223 ( 2.637 11.170 10.421) 15.503 16.429 ( 3.175 -17.475 3.230) 18.052 16.429 ( 3.175 17.475 3.230) 18.052 16.999 ( 0.726 -3.830 -4.920) 6.277 16.999 ( 0.726 3.830 -4.920) 6.277 17.360 ( -5.383 -3.245 -0.576) 6.311 17.360 ( -5.383 3.245 -0.576) 6.311 17.776 ( -7.158 -17.413 -11.698) 22.165 17.776 ( -7.158 17.413 -11.698) 22.165 18.171 ( 0.738 -5.270 -1.824) 5.626 18.171 ( 0.738 5.270 -1.824) 5.626 18.287 ( 1.339 -4.320 -0.266) 4.531 18.287 ( 1.339 4.320 -0.266) 4.531 18.512 ( 0.835 -6.052 4.477) 7.574 18.512 ( 0.835 6.052 4.477) 7.574 18.729 ( -0.404 -1.681 3.858) 4.228 18.729 ( -0.404 1.681 3.858) 4.228 19.057 ( -3.860 -2.297 -5.553) 7.142 19.057 ( -3.860 2.297 -5.553) 7.142 19.207 ( -2.727 -3.633 -1.464) 4.773 19.207 ( -2.727 3.633 -1.464) 4.773 19.462 ( -0.389 -5.071 -3.903) 6.411 19.462 ( -0.389 5.071 -3.903) 6.411 19.656 ( 1.096 -7.957 -4.607) 9.260 19.656 ( 1.096 7.957 -4.607) 9.260 19.854 ( -0.113 -5.831 5.648) 8.118 19.854 ( -0.113 5.831 5.648) 8.118 20.177 ( 4.941 -6.188 2.205) 8.220 20.177 ( 4.941 6.188 2.205) 8.220 20.314 ( 1.775 -1.799 -1.605) 2.994 20.314 ( 1.775 1.799 -1.605) 2.994 20.540 ( 1.810 -0.560 -4.627) 5.000 20.540 ( 1.810 0.560 -4.627) 5.000 21.385 ( 14.705 -9.908 -4.837) 18.379 21.385 ( 14.705 9.908 -4.837) 18.379 22.372 ( -0.791 -0.902 1.212) 1.705 22.372 ( -0.791 0.902 1.212) 1.705 22.431 ( 1.426 -0.298 1.255) 1.922 22.431 ( 1.426 0.298 1.255) 1.922 22.972 ( 0.044 -2.850 -0.041) 2.851 22.972 ( 0.044 2.850 -0.041) 2.851 23.042 ( 1.007 -3.201 -0.798) 3.449 23.042 ( 1.007 3.201 -0.798) 3.449 24.172 ( -3.688 -6.918 8.360) 11.461 24.172 ( -3.688 6.918 8.360) 11.461 24.758 ( -2.200 -13.024 -3.031) 13.552 24.758 ( -2.200 13.024 -3.031) 13.552 25.739 ( -2.736 -11.492 20.414) 23.585 25.739 ( -2.736 11.492 20.414) 23.585 26.001 ( -1.847 -2.399 -7.468) 8.058 26.001 ( -1.847 2.399 -7.468) 8.058 26.427 ( -6.879 -18.012 0.430) 19.286 26.427 ( -6.879 18.012 0.430) 19.286 27.401 ( 3.098 -6.572 -4.240) 8.412 27.401 ( 3.098 6.572 -4.240) 8.412 27.720 ( 7.028 -4.003 -1.077) 8.159 27.720 ( 7.028 4.003 -1.077) 8.159 28.032 ( 3.298 -8.059 1.831) 8.898 28.032 ( 3.298 8.059 1.831) 8.898 28.453 ( -0.347 -5.930 6.216) 8.598 28.453 ( -0.347 5.930 6.216) 8.598 28.868 ( 2.464 -5.010 -0.654) 5.622 28.868 ( 2.464 5.010 -0.654) 5.622 29.019 ( -0.494 -9.411 -6.634) 11.525 29.019 ( -0.494 9.411 -6.634) 11.525 29.513 ( 3.827 -1.437 -7.822) 8.826 29.513 ( 3.827 1.437 -7.822) 8.826 30.494 ( -5.871 -4.231 15.796) 17.375 30.494 ( -5.871 4.231 15.796) 17.375 31.069 ( -0.029 -15.474 -4.987) 16.258 31.069 ( -0.029 15.474 -4.987) 16.258 31.519 ( 4.059 -1.845 3.925) 5.940 31.519 ( 4.059 1.845 3.925) 5.940 32.123 ( -2.895 -3.789 5.955) 7.629 32.123 ( -2.895 3.789 5.955) 7.629 32.580 ( 1.807 -7.505 2.888) 8.242 32.580 ( 1.807 7.505 2.888) 8.242 32.929 ( -6.422 -1.286 -9.874) 11.849 32.929 ( -6.422 1.286 -9.874) 11.849 33.662 ( -1.971 -4.572 1.270) 5.138 33.662 ( -1.971 4.572 1.270) 5.138 34.481 ( 3.011 -1.444 -8.128) 8.787 34.481 ( 3.011 1.444 -8.128) 8.787 37.665 ( 0.614 -1.341 0.601) 1.593 37.665 ( 0.614 1.341 0.601) 1.593 38.059 ( 0.097 -5.274 -3.401) 6.276 38.059 ( 0.097 5.274 -3.401) 6.276 39.264 ( 2.452 -3.722 2.944) 5.342 39.264 ( 2.452 3.722 2.944) 5.342 39.305 ( -1.168 -6.352 0.001) 6.459 39.305 ( -1.168 6.352 0.001) 6.459 39.441 ( -0.931 -2.390 -0.065) 2.566 39.441 ( -0.931 2.390 -0.065) 2.566 39.589 ( 1.604 -6.665 -2.598) 7.331 39.589 ( 1.604 6.665 -2.598) 7.331 39.741 ( 2.659 -5.152 4.336) 7.240 39.741 ( 2.659 5.152 4.336) 7.240 39.920 ( -3.394 -4.070 -1.039) 5.400 39.920 ( -3.394 4.070 -1.039) 5.400 40.332 ( -8.206 -7.264 -3.715) 11.572 40.332 ( -8.206 7.264 -3.715) 11.572 40.877 ( -3.166 -8.171 -0.941) 8.813 40.877 ( -3.166 8.171 -0.941) 8.813 41.966 ( 1.110 -8.691 1.557) 8.898 41.966 ( 1.110 8.691 1.557) 8.898 42.135 ( -0.859 -19.930 -5.621) 20.725 42.135 ( -0.859 19.930 -5.621) 20.725 42.876 ( -6.269 -4.833 7.237) 10.726 42.876 ( -6.269 4.833 7.237) 10.726 43.723 ( -2.126 -7.020 0.562) 7.356 43.723 ( -2.126 7.020 0.562) 7.356 43.899 ( 4.930 -1.700 -0.101) 5.216 43.899 ( 4.930 1.700 -0.101) 5.216 44.927 ( 6.440 -4.517 2.796) 8.348 44.927 ( 6.440 4.517 2.796) 8.348 ======================= Grid point 71 (37/80) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -7.425 -5.627 -12.054) 15.235 1.439 ( -7.425 5.627 -12.054) 15.235 1.919 ( 1.463 -9.064 0.023) 9.181 1.919 ( 1.463 9.064 0.023) 9.181 2.371 ( -3.940 -11.521 8.626) 14.922 2.371 ( -3.940 11.521 8.626) 14.922 2.516 ( -5.352 -12.206 0.645) 13.343 2.516 ( -5.352 12.206 0.645) 13.343 2.975 ( -9.373 -11.615 17.537) 23.029 2.975 ( -9.373 11.615 17.537) 23.029 3.130 ( 2.114 -3.802 -4.676) 6.387 3.130 ( 2.114 3.802 -4.676) 6.387 3.401 ( -4.509 -2.061 4.473) 6.677 3.401 ( -4.509 2.061 4.473) 6.677 3.783 ( 8.688 -12.282 -0.555) 15.054 3.783 ( 8.688 12.282 -0.555) 15.054 4.117 ( 1.063 -4.864 -12.266) 13.238 4.117 ( 1.063 4.864 -12.266) 13.238 4.343 ( -2.878 -0.761 1.780) 3.468 4.343 ( -2.878 0.761 1.780) 3.468 4.623 ( 3.399 -1.938 12.519) 13.117 4.623 ( 3.399 1.938 12.519) 13.117 4.890 ( -2.568 -6.590 3.903) 8.078 4.890 ( -2.568 6.590 3.903) 8.078 4.952 ( 3.233 -3.092 -0.938) 4.570 4.952 ( 3.233 3.092 -0.938) 4.570 5.262 ( 1.719 -3.765 -1.527) 4.412 5.262 ( 1.719 3.765 -1.527) 4.412 5.445 ( -2.282 -9.795 -10.789) 14.749 5.445 ( -2.282 9.795 -10.789) 14.749 5.737 ( 0.819 -4.528 -0.853) 4.680 5.737 ( 0.819 4.528 -0.853) 4.680 5.838 ( -4.707 -7.182 -0.109) 8.587 5.838 ( -4.707 7.182 -0.109) 8.587 6.052 ( 1.234 -14.345 15.669) 21.280 6.052 ( 1.234 14.345 15.669) 21.280 6.606 ( -1.483 -6.084 -7.740) 9.956 6.606 ( -1.483 6.084 -7.740) 9.956 6.917 ( -3.596 -5.799 -0.027) 6.824 6.917 ( -3.596 5.799 -0.027) 6.824 7.187 ( -4.079 -12.038 6.150) 14.120 7.187 ( -4.079 12.038 6.150) 14.120 7.252 ( -1.545 -7.735 -0.240) 7.892 7.252 ( -1.545 7.735 -0.240) 7.892 7.474 ( -1.426 -13.385 -0.732) 13.480 7.474 ( -1.426 13.385 -0.732) 13.480 7.802 ( 0.220 -31.429 2.881) 31.561 7.802 ( 0.220 31.429 2.881) 31.561 8.108 ( -2.037 -4.434 -0.645) 4.922 8.108 ( -2.037 4.434 -0.645) 4.922 8.437 ( 1.436 -9.370 -1.782) 9.646 8.437 ( 1.436 9.370 -1.782) 9.646 8.933 ( 0.724 -9.503 -5.939) 11.230 8.933 ( 0.724 9.503 -5.939) 11.230 9.182 ( 6.328 -3.462 -7.065) 10.097 9.182 ( 6.328 3.462 -7.065) 10.097 9.411 ( 1.886 -8.536 2.579) 9.114 9.411 ( 1.886 8.536 2.579) 9.114 9.563 ( -2.099 -3.100 -1.097) 3.901 9.563 ( -2.099 3.100 -1.097) 3.901 10.160 ( 4.463 -5.601 -2.055) 7.450 10.160 ( 4.463 5.601 -2.055) 7.450 10.415 ( -3.406 -4.882 1.980) 6.273 10.415 ( -3.406 4.882 1.980) 6.273 11.167 ( 3.481 -3.168 2.367) 5.268 11.167 ( 3.481 3.168 2.367) 5.268 11.274 ( -1.186 -3.249 -2.187) 4.092 11.274 ( -1.186 3.249 -2.187) 4.092 11.827 ( -0.573 -1.273 1.266) 1.885 11.827 ( -0.573 1.273 1.266) 1.885 11.991 ( -1.062 -2.446 0.143) 2.670 11.991 ( -1.062 2.446 0.143) 2.670 12.972 ( 0.828 -2.838 1.219) 3.198 12.972 ( 0.828 2.838 1.219) 3.198 13.171 ( -0.430 -3.550 1.053) 3.728 13.171 ( -0.430 3.550 1.053) 3.728 13.745 ( -0.472 -1.205 -3.281) 3.527 13.745 ( -0.472 1.205 -3.281) 3.527 13.866 ( 0.813 -0.390 -1.054) 1.387 13.866 ( 0.813 0.390 -1.054) 1.387 14.589 ( -3.764 -8.007 1.729) 9.015 14.589 ( -3.764 8.007 1.729) 9.015 14.721 ( -0.606 -3.425 3.558) 4.976 14.721 ( -0.606 3.425 3.558) 4.976 15.164 ( 3.415 -5.659 -3.108) 7.304 15.164 ( 3.415 5.659 -3.108) 7.304 15.721 ( 0.107 -5.304 0.014) 5.305 15.721 ( 0.107 5.304 0.014) 5.305 16.255 ( -1.894 -14.885 -1.581) 15.088 16.255 ( -1.894 14.885 -1.581) 15.088 16.529 ( 2.075 -20.263 11.187) 23.239 16.529 ( 2.075 20.263 11.187) 23.239 17.099 ( 4.919 -4.750 5.624) 8.854 17.099 ( 4.919 4.750 5.624) 8.854 17.235 ( -4.755 -5.489 -5.107) 8.878 17.235 ( -4.755 5.489 -5.107) 8.878 17.620 ( 0.640 -23.199 -4.142) 23.574 17.620 ( 0.640 23.199 -4.142) 23.574 18.161 ( 0.453 -5.757 -0.879) 5.841 18.161 ( 0.453 5.757 -0.879) 5.841 18.314 ( 1.646 -1.292 -1.424) 2.531 18.314 ( 1.646 1.292 -1.424) 2.531 18.553 ( -0.968 -4.381 3.728) 5.833 18.553 ( -0.968 4.381 3.728) 5.833 18.748 ( -0.528 -6.280 0.133) 6.303 18.748 ( -0.528 6.280 0.133) 6.303 18.975 ( -1.380 -5.140 -1.805) 5.620 18.975 ( -1.380 5.140 -1.805) 5.620 19.158 ( -1.103 -1.024 -0.171) 1.515 19.158 ( -1.103 1.024 -0.171) 1.515 19.419 ( -0.778 -2.499 -2.845) 3.866 19.419 ( -0.778 2.499 -2.845) 3.866 19.628 ( 0.279 -8.002 -3.126) 8.595 19.628 ( 0.279 8.002 -3.126) 8.595 19.878 ( -1.104 -4.074 3.482) 5.472 19.878 ( -1.104 4.074 3.482) 5.472 20.230 ( -0.486 -5.424 -0.034) 5.446 20.230 ( -0.486 5.424 -0.034) 5.446 20.399 ( 4.241 -4.354 -1.075) 6.172 20.399 ( 4.241 4.354 -1.075) 6.172 20.522 ( 3.716 -2.880 -3.054) 5.606 20.522 ( 3.716 2.881 -3.054) 5.606 21.529 ( 10.465 -5.136 -13.696) 17.985 21.529 ( 10.465 5.136 -13.696) 17.985 22.356 ( -1.872 -0.608 0.707) 2.092 22.356 ( -1.872 0.608 0.707) 2.092 22.456 ( 0.730 -0.359 -0.214) 0.841 22.456 ( 0.730 0.359 -0.214) 0.841 22.972 ( -0.036 -2.932 0.054) 2.932 22.972 ( -0.036 2.932 0.054) 2.932 23.051 ( 0.973 -3.320 -1.108) 3.633 23.051 ( 0.973 3.320 -1.108) 3.633 24.184 ( -4.251 -7.181 9.950) 12.987 24.184 ( -4.251 7.181 9.950) 12.987 24.731 ( 0.337 -14.380 0.461) 14.391 24.731 ( 0.337 14.380 0.461) 14.391 25.666 ( -12.207 -6.071 -1.805) 13.752 25.666 ( -12.207 6.071 -1.805) 13.752 26.045 ( 3.181 -10.329 9.135) 14.151 26.045 ( 3.181 10.329 9.135) 14.151 26.364 ( -2.397 -18.518 5.349) 19.424 26.364 ( -2.397 18.518 5.349) 19.424 27.428 ( 3.479 -7.561 -3.117) 8.888 27.428 ( 3.479 7.561 -3.117) 8.888 27.847 ( 8.084 -15.109 -1.666) 17.216 27.847 ( 8.084 15.109 -1.666) 17.216 28.070 ( 0.723 -16.161 -1.774) 16.274 28.070 ( 0.723 16.161 -1.774) 16.274 28.458 ( -3.491 -4.281 2.056) 5.894 28.458 ( -3.491 4.281 2.056) 5.894 28.907 ( 2.139 -10.104 -1.344) 10.415 28.907 ( 2.139 10.104 -1.344) 10.415 28.979 ( 1.568 -4.931 -1.969) 5.536 28.979 ( 1.568 4.931 -1.969) 5.536 29.503 ( 3.209 -0.702 -8.420) 9.038 29.503 ( 3.209 0.702 -8.420) 9.038 30.500 ( -7.649 -7.668 12.126) 16.259 30.500 ( -7.649 7.668 12.126) 16.259 31.045 ( 1.552 -12.299 -2.893) 12.730 31.045 ( 1.552 12.299 -2.893) 12.730 31.599 ( 2.426 -2.738 0.100) 3.659 31.599 ( 2.426 2.738 0.100) 3.659 32.102 ( -5.122 -1.752 4.643) 7.131 32.102 ( -5.122 1.752 4.643) 7.131 32.626 ( 0.338 -7.750 2.134) 8.045 32.626 ( 0.338 7.750 2.134) 8.045 32.785 ( -1.165 -4.547 -4.229) 6.318 32.785 ( -1.165 4.547 -4.229) 6.318 33.652 ( -1.202 -5.019 2.797) 5.871 33.652 ( -1.202 5.019 2.797) 5.871 34.474 ( 3.874 -1.547 -6.885) 8.050 34.474 ( 3.874 1.547 -6.885) 8.050 37.683 ( 0.749 -0.606 0.537) 1.103 37.683 ( 0.749 0.606 0.537) 1.103 38.032 ( 0.078 -3.449 -2.826) 4.460 38.032 ( 0.078 3.449 -2.826) 4.460 39.281 ( -0.933 -5.176 0.546) 5.287 39.281 ( -0.933 5.176 0.546) 5.287 39.334 ( 2.078 -1.989 0.791) 2.983 39.334 ( 2.078 1.989 0.791) 2.983 39.431 ( -0.798 -2.043 1.301) 2.551 39.431 ( -0.798 2.043 1.301) 2.551 39.597 ( 1.604 -5.365 -0.330) 5.609 39.597 ( 1.604 5.365 -0.330) 5.609 39.825 ( 1.070 -1.531 -2.528) 3.143 39.825 ( 1.070 1.531 -2.528) 3.143 39.887 ( 2.403 -8.910 4.325) 10.191 39.887 ( 2.403 8.910 4.325) 10.191 40.194 ( -7.504 -6.030 4.452) 10.606 40.194 ( -7.504 6.030 4.452) 10.606 40.832 ( -1.904 -7.761 -0.375) 8.000 40.832 ( -1.904 7.761 -0.375) 8.000 41.890 ( -3.629 -13.896 -7.551) 16.226 41.890 ( -3.629 13.896 -7.551) 16.226 42.166 ( 3.651 -16.607 2.350) 17.165 42.166 ( 3.651 16.607 2.350) 17.165 42.828 ( -5.804 -3.994 6.383) 9.507 42.828 ( -5.804 3.994 6.383) 9.507 43.659 ( -4.726 -10.186 -0.779) 11.256 43.659 ( -4.726 10.186 -0.779) 11.256 43.985 ( 5.156 -3.371 -1.050) 6.249 43.985 ( 5.156 3.371 -1.050) 6.249 44.991 ( 1.310 -1.636 -4.129) 4.631 44.991 ( 1.310 1.636 -4.129) 4.631 ======================= Grid point 73 (38/80) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 7.563 -4.800 -11.017) 14.199 1.330 ( 7.563 4.800 -11.017) 14.199 1.995 ( 5.335 -8.216 2.535) 10.119 1.995 ( 5.335 8.216 2.535) 10.119 2.356 ( -2.349 -6.761 5.250) 8.876 2.356 ( -2.349 6.761 5.250) 8.876 2.537 ( 1.099 -6.604 8.829) 11.080 2.537 ( 1.099 6.604 8.829) 11.080 2.948 ( -10.911 -10.587 14.372) 20.921 2.948 ( -10.911 10.587 14.372) 20.921 3.154 ( 5.653 -6.221 -4.208) 9.400 3.154 ( 5.653 6.221 -4.208) 9.400 3.394 ( -2.501 -7.200 8.294) 11.264 3.394 ( -2.501 7.200 8.294) 11.264 3.803 ( -2.600 -16.328 -8.068) 18.397 3.803 ( -2.600 16.328 -8.068) 18.397 4.012 ( -2.495 -7.782 -7.697) 11.226 4.012 ( -2.495 7.782 -7.697) 11.226 4.306 ( -2.475 -2.038 2.490) 4.060 4.306 ( -2.475 2.038 2.490) 4.060 4.677 ( -2.477 -7.186 -6.088) 9.738 4.677 ( -2.477 7.186 -6.088) 9.738 4.805 ( -7.180 -3.420 4.910) 9.347 4.805 ( -7.180 3.420 4.910) 9.347 4.995 ( -0.849 -5.689 -0.931) 5.827 4.995 ( -0.849 5.689 -0.931) 5.827 5.240 ( -1.705 -11.417 -4.631) 12.438 5.240 ( -1.705 11.417 -4.631) 12.438 5.356 ( 3.942 -7.493 -6.355) 10.586 5.356 ( 3.942 7.493 -6.355) 10.586 5.665 ( -0.877 -3.775 -0.483) 3.906 5.665 ( -0.877 3.775 -0.483) 3.906 5.914 ( 1.633 -6.508 8.810) 11.074 5.914 ( 1.633 6.508 8.810) 11.074 6.274 ( 2.684 -10.827 14.639) 18.405 6.274 ( 2.684 10.827 14.639) 18.405 6.534 ( 4.464 -9.174 -7.161) 12.464 6.534 ( 4.464 9.174 -7.161) 12.464 6.902 ( 0.823 -3.650 3.364) 5.031 6.902 ( 0.823 3.650 3.364) 5.031 7.163 ( -4.450 -7.730 4.845) 10.150 7.163 ( -4.450 7.730 4.845) 10.150 7.307 ( 5.939 -16.974 3.848) 18.390 7.307 ( 5.939 16.974 3.848) 18.390 7.454 ( -0.117 -13.355 -0.845) 13.382 7.454 ( -0.117 13.355 -0.845) 13.382 7.850 ( 1.257 -30.964 7.290) 31.835 7.850 ( 1.257 30.964 7.290) 31.835 8.099 ( 0.764 -8.515 -0.694) 8.578 8.099 ( 0.764 8.515 -0.694) 8.578 8.424 ( -0.705 -8.204 -1.631) 8.395 8.424 ( -0.705 8.204 -1.631) 8.395 8.877 ( 0.718 -8.982 -9.871) 13.365 8.877 ( 0.718 8.982 -9.871) 13.365 9.171 ( 1.261 -5.975 -10.334) 12.004 9.171 ( 1.261 5.975 -10.334) 12.004 9.402 ( -4.452 -5.870 -0.589) 7.391 9.402 ( -4.452 5.870 -0.589) 7.391 9.591 ( 4.309 -4.624 4.098) 7.533 9.591 ( 4.309 4.624 4.098) 7.533 10.170 ( 0.633 -4.123 -7.010) 8.158 10.170 ( 0.633 4.123 -7.010) 8.158 10.305 ( -7.591 -8.160 -3.407) 11.655 10.305 ( -7.591 8.160 -3.407) 11.655 11.159 ( -1.937 -5.495 -0.631) 5.861 11.159 ( -1.937 5.495 -0.631) 5.861 11.312 ( 2.612 -2.750 1.589) 4.112 11.312 ( 2.612 2.750 1.589) 4.112 11.869 ( 1.879 -2.930 4.320) 5.548 11.869 ( 1.879 2.930 4.320) 5.548 12.007 ( 1.621 -4.732 2.454) 5.572 12.007 ( 1.621 4.732 2.454) 5.572 12.969 ( -1.796 -3.725 -0.172) 4.139 12.969 ( -1.796 3.725 -0.172) 4.139 13.144 ( -1.964 -4.076 -1.402) 4.737 13.144 ( -1.964 4.076 -1.402) 4.737 13.696 ( -0.059 -2.102 -4.662) 5.114 13.696 ( -0.059 2.102 -4.662) 5.114 13.915 ( 3.155 -0.833 2.260) 3.970 13.915 ( 3.155 0.833 2.260) 3.970 14.586 ( 0.606 -7.177 2.639) 7.671 14.586 ( 0.606 7.177 2.639) 7.671 14.775 ( 0.875 -3.948 7.443) 8.471 14.775 ( 0.875 3.948 7.443) 8.471 15.154 ( -0.170 -10.027 -3.959) 10.782 15.154 ( -0.170 10.027 -3.959) 10.782 15.687 ( -2.309 -9.454 -2.288) 9.997 15.687 ( -2.309 9.454 -2.288) 9.997 16.192 ( -2.913 -13.748 -3.203) 14.414 16.192 ( -2.913 13.748 -3.203) 14.414 16.613 ( -5.187 -16.130 5.099) 17.694 16.613 ( -5.187 16.130 5.099) 17.694 17.052 ( 2.470 -8.302 -3.037) 9.178 17.052 ( 2.470 8.302 -3.037) 9.178 17.347 ( 3.622 -10.949 15.146) 19.037 17.347 ( 3.622 10.949 15.146) 19.037 17.710 ( 7.501 -15.661 3.568) 17.727 17.710 ( 7.501 15.661 3.568) 17.727 18.167 ( 0.496 -7.688 -2.091) 7.982 18.167 ( 0.496 7.688 -2.091) 7.982 18.318 ( 0.369 -4.425 -0.726) 4.500 18.318 ( 0.369 4.425 -0.726) 4.500 18.530 ( -3.847 -3.022 0.883) 4.971 18.530 ( -3.847 3.022 0.883) 4.971 18.697 ( -1.934 -6.402 -3.107) 7.375 18.697 ( -1.934 6.402 -3.107) 7.375 18.999 ( 3.178 -5.368 1.946) 6.534 18.999 ( 3.178 5.368 1.946) 6.534 19.180 ( 2.260 -0.834 1.991) 3.125 19.180 ( 2.260 0.834 1.991) 3.125 19.396 ( 1.068 -3.242 -2.813) 4.424 19.396 ( 1.068 3.242 -2.813) 4.424 19.625 ( 1.708 -8.192 -1.065) 8.436 19.625 ( 1.708 8.192 -1.065) 8.436 19.878 ( -1.205 -5.727 1.113) 5.958 19.878 ( -1.205 5.727 1.113) 5.958 20.206 ( -1.494 -5.487 -1.594) 5.906 20.206 ( -1.494 5.487 -1.594) 5.906 20.337 ( -2.604 -3.134 -7.010) 8.108 20.337 ( -2.604 3.134 -7.010) 8.108 20.644 ( 5.490 -4.530 3.984) 8.157 20.644 ( 5.490 4.530 3.984) 8.157 21.477 ( 1.495 -3.242 -22.143) 22.429 21.477 ( 1.495 3.242 -22.143) 22.429 22.334 ( -1.007 -1.182 0.524) 1.639 22.334 ( -1.007 1.182 0.524) 1.639 22.447 ( -0.888 -0.393 -1.372) 1.681 22.447 ( -0.888 0.393 -1.372) 1.681 22.973 ( 0.034 -2.831 0.103) 2.833 22.973 ( 0.034 2.831 0.103) 2.833 23.054 ( 0.540 -3.366 -1.340) 3.663 23.054 ( 0.540 3.366 -1.340) 3.663 24.197 ( -4.747 -7.474 10.441) 13.690 24.197 ( -4.747 7.474 10.441) 13.690 24.773 ( 2.025 -15.325 4.378) 16.067 24.773 ( 2.025 15.325 4.378) 16.067 25.441 ( -7.761 -4.466 -7.197) 11.488 25.441 ( -7.761 4.466 -7.197) 11.488 26.129 ( 1.356 -9.256 0.874) 9.396 26.129 ( 1.356 9.256 0.874) 9.396 26.460 ( 0.573 -7.842 17.836) 19.493 26.460 ( 0.573 7.842 17.836) 19.493 27.454 ( 1.950 -7.458 -1.950) 7.952 27.454 ( 1.950 7.458 -1.950) 7.952 27.916 ( 0.551 -21.987 -1.993) 22.084 27.916 ( 0.551 21.987 -1.993) 22.084 28.031 ( -1.163 -28.732 -4.917) 29.173 28.031 ( -1.163 28.732 -4.917) 29.173 28.385 ( -4.387 -8.503 -1.253) 9.650 28.385 ( -4.387 8.503 -1.253) 9.650 28.916 ( 0.882 -2.379 -1.441) 2.918 28.916 ( 0.882 2.379 -1.441) 2.918 29.033 ( 3.585 -4.891 1.303) 6.203 29.033 ( 3.585 4.891 1.303) 6.203 29.477 ( 3.823 -1.061 -10.987) 11.682 29.477 ( 3.823 1.061 -10.987) 11.682 30.457 ( -8.076 -7.783 10.076) 15.077 30.457 ( -8.076 7.783 10.076) 15.077 31.073 ( 2.803 -7.184 0.402) 7.722 31.073 ( 2.803 7.184 0.402) 7.722 31.592 ( -1.997 -1.751 -2.500) 3.647 31.592 ( -1.997 1.751 -2.500) 3.647 32.036 ( -4.472 -4.230 0.985) 6.234 32.036 ( -4.472 4.230 0.985) 6.234 32.617 ( -2.277 -5.719 0.652) 6.190 32.617 ( -2.277 5.719 0.652) 6.190 32.841 ( 7.221 -4.095 2.642) 8.711 32.841 ( 7.221 4.095 2.642) 8.711 33.667 ( -0.629 -4.767 3.891) 6.186 33.667 ( -0.629 4.767 3.891) 6.186 34.491 ( 4.351 -2.095 -5.548) 7.355 34.491 ( 4.351 2.095 -5.548) 7.355 37.694 ( -0.216 -1.377 0.557) 1.501 37.694 ( -0.216 1.377 0.557) 1.501 38.021 ( 1.571 -4.076 -2.685) 5.127 38.021 ( 1.571 4.076 -2.685) 5.127 39.267 ( -1.330 -4.844 -0.523) 5.050 39.267 ( -1.330 4.844 -0.523) 5.050 39.336 ( -1.002 -2.412 -0.544) 2.668 39.336 ( -1.002 2.412 -0.544) 2.668 39.442 ( -0.100 -3.541 2.659) 4.429 39.442 ( -0.100 3.541 2.659) 4.429 39.649 ( 2.248 -3.601 2.190) 4.776 39.649 ( 2.248 3.601 2.190) 4.776 39.757 ( -2.655 -2.342 -4.186) 5.482 39.757 ( -2.655 2.342 -4.186) 5.482 40.021 ( 4.468 -4.049 3.931) 7.198 40.021 ( 4.468 4.049 3.931) 7.198 40.196 ( 1.057 -8.516 13.604) 16.084 40.196 ( 1.057 8.516 13.604) 16.084 40.795 ( -1.409 -11.106 -1.953) 11.364 40.795 ( -1.409 11.106 -1.953) 11.364 41.796 ( 0.928 -13.164 -7.125) 14.997 41.796 ( 0.928 13.164 -7.125) 14.997 42.230 ( 0.304 -11.547 2.564) 11.832 42.230 ( 0.304 11.547 2.564) 11.832 42.808 ( -2.373 -5.823 5.913) 8.632 42.808 ( -2.373 5.823 5.913) 8.632 43.566 ( -2.765 -10.354 -4.914) 11.790 43.566 ( -2.765 10.354 -4.914) 11.790 44.048 ( 2.207 -4.154 0.868) 4.783 44.048 ( 2.207 4.154 0.868) 4.783 44.904 ( -3.300 -1.800 -11.018) 11.641 44.904 ( -3.300 1.800 -11.018) 11.641 ======================= Grid point 75 (39/80) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 13.393 -11.728 -3.775) 18.198 1.464 ( 13.393 11.728 -3.775) 18.198 2.108 ( 4.313 -2.565 1.660) 5.285 2.108 ( 4.313 2.565 1.660) 5.285 2.405 ( 0.229 -2.436 7.546) 7.932 2.405 ( 0.229 2.436 7.546) 7.932 2.631 ( 2.759 -6.667 2.399) 7.604 2.631 ( 2.759 6.667 2.399) 7.604 2.900 ( -6.468 -9.500 14.430) 18.448 2.900 ( -6.468 9.500 14.430) 18.448 3.244 ( 8.373 -7.931 -4.581) 12.409 3.244 ( 8.373 7.931 -4.581) 12.409 3.432 ( -2.594 -16.498 5.475) 17.575 3.432 ( -2.594 16.498 5.475) 17.575 3.657 ( -4.544 -20.792 -3.362) 21.546 3.657 ( -4.544 20.792 -3.362) 21.546 3.886 ( -5.609 -4.668 -3.240) 7.984 3.886 ( -5.609 4.668 -3.240) 7.984 4.258 ( -5.948 -3.930 1.925) 7.384 4.258 ( -5.948 3.930 1.925) 7.384 4.541 ( -4.506 -12.353 -6.262) 14.564 4.541 ( -4.506 12.353 -6.262) 14.564 4.750 ( -5.087 -9.293 2.816) 10.962 4.750 ( -5.087 9.293 2.816) 10.962 4.897 ( -4.363 -2.176 -5.177) 7.112 4.897 ( -4.363 2.176 -5.177) 7.112 5.197 ( 3.576 -8.058 -4.036) 9.696 5.197 ( 3.576 8.058 -4.036) 9.696 5.457 ( 8.071 -8.068 -0.110) 11.413 5.457 ( 8.071 8.068 -0.110) 11.413 5.692 ( 0.262 -3.505 4.082) 5.387 5.692 ( 0.262 3.505 4.082) 5.387 5.967 ( -2.798 -3.592 4.104) 6.130 5.967 ( -2.798 3.592 4.104) 6.130 6.291 ( 0.626 -12.951 -4.940) 13.876 6.291 ( 0.626 12.951 -4.940) 13.876 6.661 ( 3.467 -6.862 6.328) 9.958 6.661 ( 3.467 6.862 6.328) 9.958 6.989 ( 4.904 -2.473 5.550) 7.808 6.989 ( 4.904 2.473 5.550) 7.808 7.161 ( 0.269 -9.749 3.733) 10.442 7.161 ( 0.269 9.749 3.733) 10.442 7.390 ( 4.441 -15.871 -5.708) 17.441 7.390 ( 4.441 15.871 -5.708) 17.441 7.551 ( 5.635 -11.467 9.560) 15.958 7.551 ( 5.635 11.467 9.560) 15.958 7.979 ( 2.718 -19.404 11.350) 22.643 7.979 ( 2.718 19.404 11.350) 22.643 8.082 ( 0.384 -16.980 -3.571) 17.356 8.082 ( 0.384 16.980 -3.571) 17.356 8.401 ( -1.678 -3.546 0.356) 3.939 8.401 ( -1.678 3.546 0.356) 3.939 8.780 ( -1.997 -3.499 -10.512) 11.258 8.780 ( -1.997 3.499 -10.512) 11.258 9.075 ( 0.478 -5.854 -11.710) 13.100 9.075 ( 0.478 5.854 -11.710) 13.100 9.352 ( 0.033 -8.378 0.238) 8.381 9.352 ( 0.033 8.378 0.238) 8.381 9.665 ( -0.422 -5.380 2.463) 5.932 9.665 ( -0.422 5.380 2.463) 5.932 10.058 ( -4.191 -6.811 -9.910) 12.735 10.058 ( -4.191 6.811 -9.910) 12.735 10.162 ( -5.353 -2.773 -0.628) 6.062 10.162 ( -5.353 2.773 -0.628) 6.062 11.167 ( 1.660 -1.886 2.153) 3.309 11.167 ( 1.660 1.886 2.153) 3.309 11.335 ( 0.186 -5.485 -0.607) 5.521 11.335 ( 0.186 5.485 -0.607) 5.521 11.918 ( -0.312 -3.345 2.832) 4.394 11.918 ( -0.312 3.345 2.832) 4.394 12.080 ( 3.632 -6.232 2.384) 7.597 12.080 ( 3.632 6.232 2.384) 7.597 12.929 ( -2.089 -1.925 0.511) 2.886 12.929 ( -2.089 1.925 0.511) 2.886 13.090 ( -2.763 -3.075 -1.750) 4.489 13.090 ( -2.763 3.075 -1.750) 4.489 13.683 ( 2.584 -1.181 -3.054) 4.172 13.683 ( 2.584 1.181 -3.054) 4.172 13.986 ( 2.640 -1.803 1.523) 3.541 13.986 ( 2.640 1.803 1.523) 3.541 14.609 ( -0.378 -14.322 1.176) 14.375 14.609 ( -0.378 14.322 1.176) 14.375 14.842 ( 0.203 -5.600 2.340) 6.073 14.842 ( 0.203 5.600 2.340) 6.073 15.153 ( 1.426 -15.280 4.431) 15.973 15.153 ( 1.426 15.280 4.431) 15.973 15.632 ( -1.528 -9.711 -1.511) 9.946 15.632 ( -1.528 9.711 -1.511) 9.946 16.092 ( -5.546 -10.961 -2.948) 12.633 16.092 ( -5.546 10.961 -2.948) 12.633 16.459 ( -7.493 -8.743 -6.855) 13.400 16.459 ( -7.493 8.743 -6.855) 13.400 17.200 ( 6.127 -14.249 10.074) 18.494 17.200 ( 6.127 14.249 10.074) 18.494 17.519 ( 0.641 -4.464 14.988) 15.651 17.519 ( 0.641 4.464 14.988) 15.651 17.871 ( 6.822 -9.345 3.262) 12.022 17.871 ( 6.822 9.345 3.262) 12.022 18.065 ( -5.646 -7.552 -10.386) 14.028 18.065 ( -5.646 7.552 -10.386) 14.028 18.353 ( 2.180 -2.193 3.773) 4.878 18.353 ( 2.180 2.193 3.773) 4.878 18.480 ( -1.782 -6.295 -0.112) 6.544 18.480 ( -1.782 6.295 -0.112) 6.544 18.672 ( -0.005 -2.911 0.314) 2.928 18.672 ( -0.005 2.911 0.314) 2.928 19.089 ( 5.119 -1.074 2.358) 5.737 19.089 ( 5.118 1.074 2.358) 5.737 19.237 ( 1.965 -3.751 1.183) 4.397 19.237 ( 1.965 3.751 1.183) 4.397 19.402 ( 3.625 -7.959 -5.116) 10.132 19.402 ( 3.625 7.959 -5.116) 10.132 19.661 ( 1.895 -5.859 0.395) 6.170 19.661 ( 1.895 5.859 0.395) 6.170 19.858 ( -1.616 -2.464 -0.635) 3.014 19.858 ( -1.616 2.464 -0.635) 3.014 20.127 ( -3.560 -7.490 -3.938) 9.180 20.127 ( -3.560 7.490 -3.938) 9.180 20.297 ( 3.029 -3.067 -1.677) 4.625 20.297 ( 3.029 3.067 -1.677) 4.625 20.720 ( -1.386 -4.734 3.528) 6.065 20.720 ( -1.386 4.734 3.528) 6.065 21.231 ( -4.230 -5.010 -24.467) 25.330 21.231 ( -4.230 5.010 -24.467) 25.330 22.334 ( 0.324 -1.001 0.674) 1.249 22.334 ( 0.324 1.001 0.674) 1.249 22.412 ( -1.552 -0.322 -1.207) 1.993 22.412 ( -1.552 0.322 -1.207) 1.993 22.974 ( 0.025 -2.696 -0.026) 2.696 22.974 ( 0.025 2.696 -0.026) 2.696 23.047 ( 0.049 -3.286 -1.301) 3.535 23.047 ( 0.049 3.286 -1.301) 3.535 24.196 ( -5.245 -7.399 8.842) 12.667 24.196 ( -5.245 7.399 8.842) 12.667 24.864 ( 2.356 -12.190 6.393) 13.965 24.864 ( 2.356 12.190 6.393) 13.965 25.312 ( -0.864 -3.636 -4.455) 5.815 25.312 ( -0.864 3.636 -4.455) 5.815 26.140 ( 1.939 -9.222 -3.576) 10.080 26.140 ( 1.939 9.222 -3.576) 10.080 26.617 ( -2.184 -3.526 18.233) 18.699 26.617 ( -2.184 3.526 18.233) 18.699 27.457 ( 0.172 -6.365 -1.616) 6.570 27.457 ( 0.172 6.365 -1.616) 6.570 27.849 ( -5.389 -10.739 -0.335) 12.020 27.849 ( -5.389 10.739 -0.335) 12.020 27.944 ( -3.649 -16.846 -5.900) 18.219 27.944 ( -3.649 16.846 -5.900) 18.219 28.326 ( -1.254 -7.844 -0.680) 7.972 28.326 ( -1.254 7.844 -0.680) 7.972 28.905 ( -0.997 -6.269 -1.309) 6.482 28.905 ( -0.997 6.269 -1.309) 6.482 29.094 ( 2.985 -6.265 -0.726) 6.978 29.094 ( 2.985 6.265 -0.726) 6.978 29.457 ( 5.927 -1.354 -12.009) 13.461 29.457 ( 5.927 1.354 -12.009) 13.461 30.417 ( -7.432 -3.286 11.599) 14.162 30.417 ( -7.432 3.286 11.599) 14.162 31.134 ( 2.854 -2.641 1.622) 4.214 31.134 ( 2.854 2.641 1.622) 4.214 31.491 ( -6.703 -8.425 -2.221) 10.993 31.491 ( -6.703 8.425 -2.221) 10.993 32.010 ( 1.018 -2.591 0.305) 2.801 32.010 ( 1.018 2.591 0.305) 2.801 32.571 ( -3.387 -4.787 0.525) 5.887 32.571 ( -3.387 4.787 0.525) 5.887 33.016 ( 9.223 -3.133 2.086) 9.962 33.016 ( 9.223 3.133 2.086) 9.962 33.691 ( -0.533 -4.088 3.541) 5.435 33.691 ( -0.533 4.088 3.541) 5.435 34.518 ( 3.988 -2.013 -5.344) 6.965 34.518 ( 3.988 2.013 -5.344) 6.965 37.684 ( -1.342 -2.777 0.544) 3.132 37.684 ( -1.342 2.777 0.544) 3.132 38.041 ( 3.373 -6.409 -2.821) 7.772 38.041 ( 3.373 6.409 -2.821) 7.772 39.222 ( -2.518 -3.748 -1.022) 4.630 39.222 ( -2.518 3.748 -1.022) 4.630 39.326 ( -0.577 -8.491 0.923) 8.560 39.326 ( -0.577 8.491 0.923) 8.560 39.462 ( 0.133 -3.320 2.024) 3.891 39.462 ( 0.133 3.320 2.024) 3.891 39.635 ( -2.469 -4.036 -3.227) 5.727 39.635 ( -2.469 4.036 -3.227) 5.727 39.725 ( -0.609 -2.959 1.457) 3.354 39.725 ( -0.609 2.959 1.457) 3.354 40.067 ( -2.394 -8.621 5.467) 10.485 40.067 ( -2.394 8.621 5.467) 10.485 40.453 ( 10.327 -7.767 12.664) 18.093 40.453 ( 10.327 7.767 12.664) 18.093 40.772 ( 3.298 -10.052 -2.709) 10.921 40.772 ( 3.298 10.052 -2.709) 10.921 41.802 ( 3.511 -7.771 -1.727) 8.700 41.802 ( 3.511 7.771 -1.727) 8.700 42.209 ( -2.389 -3.436 -1.740) 4.532 42.209 ( -2.389 3.436 -1.740) 4.532 42.850 ( 0.495 -9.156 6.197) 11.067 42.850 ( 0.495 9.156 6.197) 11.067 43.504 ( 2.157 -9.492 -6.401) 11.650 43.504 ( 2.157 9.492 -6.401) 11.650 44.062 ( -2.864 -3.862 2.272) 5.318 44.062 ( -2.864 3.862 2.272) 5.318 44.729 ( -3.416 -2.946 -12.369) 13.166 44.729 ( -3.416 2.946 -12.369) 13.166 ======================= Grid point 77 (40/80) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 9.841 -18.225 1.259) 20.750 1.661 ( 9.841 18.225 1.259) 20.750 2.119 ( -5.895 -1.434 4.370) 7.477 2.119 ( -5.895 1.434 4.370) 7.477 2.452 ( 0.265 -4.153 0.721) 4.224 2.452 ( 0.265 4.153 0.721) 4.224 2.680 ( 2.884 -4.318 -0.847) 5.261 2.680 ( 2.884 4.318 -0.847) 5.261 2.969 ( -1.734 -6.977 12.212) 14.171 2.969 ( -1.734 6.977 12.212) 14.171 3.331 ( -0.947 -9.352 -2.473) 9.719 3.331 ( -0.947 9.352 -2.473) 9.719 3.353 ( 1.691 -9.708 -1.200) 9.928 3.353 ( 1.691 9.708 -1.200) 9.928 3.669 ( 2.944 -12.274 -1.154) 12.675 3.669 ( 2.944 12.274 -1.154) 12.675 3.807 ( -2.673 -8.789 3.804) 9.943 3.807 ( -2.673 8.789 3.804) 9.943 4.208 ( -3.674 -3.112 9.303) 10.475 4.208 ( -3.674 3.112 9.303) 10.475 4.397 ( -4.860 -8.564 -7.931) 12.644 4.397 ( -4.860 8.564 -7.931) 12.644 4.710 ( -1.393 -2.702 3.979) 5.007 4.710 ( -1.393 2.702 3.979) 5.007 4.807 ( -3.546 -7.158 0.135) 7.989 4.807 ( -3.546 7.158 0.135) 7.989 5.264 ( 4.922 -8.526 -3.151) 10.337 5.264 ( 4.922 8.526 -3.151) 10.337 5.552 ( 3.679 -6.449 -2.488) 7.831 5.552 ( 3.679 6.449 -2.488) 7.831 5.750 ( 1.579 -2.333 5.953) 6.586 5.750 ( 1.579 2.333 5.953) 6.586 5.905 ( -1.965 -7.207 -3.949) 8.450 5.905 ( -1.965 7.207 -3.949) 8.450 6.287 ( 1.416 -5.297 -3.438) 6.472 6.287 ( 1.416 5.297 -3.438) 6.472 6.705 ( -1.448 -2.699 4.520) 5.460 6.705 ( -1.448 2.699 4.520) 5.460 7.116 ( 3.283 -5.401 4.059) 7.512 7.116 ( 3.283 5.401 4.059) 7.512 7.221 ( 1.211 -6.782 3.089) 7.550 7.221 ( 1.211 6.782 3.089) 7.550 7.436 ( 5.462 -15.680 -2.770) 16.834 7.436 ( 5.462 15.680 -2.770) 16.834 7.646 ( -1.982 -12.486 3.596) 13.144 7.646 ( -1.982 12.486 3.596) 13.144 7.908 ( -4.185 -17.402 -16.062) 24.048 7.908 ( -4.185 17.402 -16.062) 24.048 8.228 ( 1.588 -9.943 14.104) 17.329 8.228 ( 1.588 9.943 14.104) 17.329 8.367 ( -0.592 -6.695 0.961) 6.790 8.367 ( -0.592 6.695 0.961) 6.790 8.679 ( 0.417 -4.710 -2.459) 5.330 8.679 ( 0.417 4.710 -2.459) 5.330 9.035 ( 6.213 -2.400 -10.127) 12.121 9.035 ( 6.213 2.400 -10.127) 12.121 9.390 ( 2.004 -4.106 0.376) 4.584 9.390 ( 2.004 4.106 0.376) 4.584 9.616 ( -5.010 -5.177 -1.173) 7.299 9.616 ( -5.010 5.177 -1.173) 7.299 9.973 ( 1.231 -3.169 0.684) 3.468 9.973 ( 1.231 3.169 0.684) 3.468 10.095 ( -3.098 -4.157 1.174) 5.315 10.095 ( -3.098 4.157 1.174) 5.315 11.216 ( 1.358 -2.247 1.123) 2.856 11.216 ( 1.358 2.247 1.123) 2.856 11.325 ( 0.004 -7.722 -1.795) 7.928 11.325 ( 0.004 7.722 -1.795) 7.928 11.914 ( -1.462 -3.479 0.371) 3.792 11.914 ( -1.462 3.479 0.371) 3.792 12.137 ( 1.324 -5.314 -0.099) 5.477 12.137 ( 1.324 5.314 -0.099) 5.477 12.924 ( -0.366 -1.501 2.467) 2.910 12.924 ( -0.366 1.501 2.467) 2.910 13.030 ( -2.157 -2.433 -0.700) 3.325 13.030 ( -2.157 2.433 -0.700) 3.325 13.720 ( 3.548 -0.410 -1.876) 4.034 13.720 ( 3.548 0.410 -1.876) 4.034 14.013 ( 0.206 -2.335 -1.150) 2.611 14.013 ( 0.206 2.335 -1.150) 2.611 14.607 ( -0.315 -17.151 0.396) 17.158 14.607 ( -0.315 17.151 0.396) 17.158 14.836 ( -0.417 -6.857 0.668) 6.902 14.836 ( -0.417 6.857 0.668) 6.902 15.207 ( -1.812 -5.908 1.118) 6.280 15.207 ( -1.812 5.908 1.118) 6.280 15.640 ( 1.953 -2.079 3.455) 4.480 15.640 ( 1.953 2.079 3.455) 4.480 15.985 ( -4.674 -7.758 1.683) 9.212 15.985 ( -4.674 7.758 1.683) 9.212 16.328 ( -1.394 -5.212 -3.995) 6.713 16.328 ( -1.394 5.212 -3.995) 6.713 17.324 ( -0.999 -12.960 4.406) 13.725 17.324 ( -0.999 12.960 4.406) 13.725 17.540 ( -6.600 -5.776 -2.270) 9.059 17.540 ( -6.600 5.776 -2.270) 9.059 17.922 ( 1.049 -5.088 -0.058) 5.196 17.922 ( 1.049 5.088 -0.058) 5.196 18.012 ( 3.310 -16.394 3.930) 17.180 18.012 ( 3.310 16.394 3.930) 17.180 18.403 ( 0.172 -2.177 0.092) 2.186 18.403 ( 0.172 2.177 0.092) 2.186 18.453 ( -1.273 -6.928 0.252) 7.049 18.453 ( -1.273 6.928 0.252) 7.049 18.686 ( 0.183 -1.895 1.947) 2.724 18.686 ( 0.183 1.895 1.947) 2.724 19.199 ( 4.336 -3.805 2.197) 6.173 19.199 ( 4.336 3.805 2.197) 6.173 19.257 ( 0.143 -3.465 -0.826) 3.565 19.257 ( 0.143 3.465 -0.826) 3.565 19.439 ( 6.588 -12.030 -6.174) 15.042 19.439 ( 6.588 12.030 -6.174) 15.042 19.660 ( -1.323 -4.341 -1.633) 4.822 19.660 ( -1.323 4.341 -1.633) 4.822 19.784 ( -3.395 -4.362 -4.008) 6.828 19.784 ( -3.395 4.362 -4.008) 6.828 20.112 ( 1.998 -1.734 2.452) 3.607 20.112 ( 1.998 1.734 2.452) 3.607 20.384 ( 6.727 -5.265 0.733) 8.574 20.384 ( 6.727 5.265 0.733) 8.574 20.599 ( -10.510 -8.352 -7.598) 15.425 20.599 ( -10.510 8.352 -7.598) 15.425 21.057 ( 3.738 -15.408 -8.835) 18.150 21.057 ( 3.738 15.408 -8.835) 18.150 22.348 ( 0.482 -0.381 0.572) 0.840 22.348 ( 0.482 0.381 0.572) 0.840 22.388 ( -0.611 -0.598 0.572) 1.029 22.388 ( -0.611 0.598 0.572) 1.029 22.973 ( -0.015 -2.630 -0.215) 2.639 22.973 ( -0.015 2.630 -0.215) 2.639 23.037 ( 0.045 -3.130 -0.959) 3.274 23.037 ( 0.045 3.130 -0.959) 3.274 24.178 ( -4.333 -6.659 6.481) 10.253 24.178 ( -4.333 6.659 6.481) 10.253 24.909 ( -1.894 -4.285 1.205) 4.837 24.909 ( -1.894 4.285 1.205) 4.837 25.358 ( 4.944 -6.429 6.744) 10.548 25.358 ( 4.944 6.429 6.744) 10.548 26.136 ( 2.023 -8.825 -5.610) 10.651 26.136 ( 2.023 8.825 -5.610) 10.651 26.661 ( -7.781 -3.334 10.746) 13.680 26.661 ( -7.781 3.334 10.746) 13.680 27.434 ( -0.803 -4.326 -2.117) 4.882 27.434 ( -0.803 4.326 -2.117) 4.882 27.736 ( -5.497 -27.780 -3.561) 28.542 27.736 ( -5.497 27.780 -3.561) 28.542 27.884 ( -0.190 -17.652 2.689) 17.857 27.884 ( -0.190 17.652 2.689) 17.857 28.325 ( 0.449 -4.220 2.219) 4.789 28.325 ( 0.449 4.220 2.219) 4.789 28.870 ( -0.952 -8.354 -1.918) 8.624 28.870 ( -0.952 8.354 -1.918) 8.624 29.113 ( 1.479 -2.383 -3.873) 4.782 29.113 ( 1.479 2.383 -3.873) 4.782 29.474 ( 7.224 -2.212 -10.441) 12.888 29.474 ( 7.224 2.212 -10.441) 12.888 30.409 ( -6.502 -2.248 14.166) 15.748 30.409 ( -6.502 2.248 14.166) 15.748 31.168 ( -1.567 -0.903 1.519) 2.362 31.168 ( -1.567 0.903 1.519) 2.362 31.391 ( -1.820 -14.525 -0.292) 14.641 31.391 ( -1.820 14.525 -0.292) 14.641 32.055 ( 2.556 -2.375 1.447) 3.777 32.055 ( 2.556 2.375 1.447) 3.777 32.529 ( -2.114 -4.208 1.418) 4.918 32.529 ( -2.114 4.208 1.418) 4.918 33.138 ( 4.433 -7.171 -2.810) 8.887 33.138 ( 4.433 7.171 -2.810) 8.887 33.704 ( -0.961 -3.988 1.963) 4.547 33.704 ( -0.961 3.988 1.963) 4.547 34.526 ( 3.011 -1.486 -6.718) 7.511 34.526 ( 3.011 1.486 -6.718) 7.511 37.665 ( -1.256 -3.944 0.563) 4.178 37.665 ( -1.256 3.944 0.563) 4.178 38.073 ( 3.209 -7.682 -3.511) 9.036 38.073 ( 3.209 7.682 -3.511) 9.036 39.187 ( -1.429 -3.031 1.599) 3.714 39.187 ( -1.429 3.031 1.599) 3.714 39.324 ( -0.188 -9.752 0.327) 9.759 39.324 ( -0.188 9.752 0.327) 9.759 39.479 ( -0.559 -4.070 1.430) 4.350 39.479 ( -0.559 4.070 1.430) 4.350 39.578 ( -1.043 -3.437 -1.308) 3.823 39.578 ( -1.043 3.437 -1.308) 3.823 39.713 ( -0.932 -3.350 -0.932) 3.601 39.713 ( -0.932 3.350 -0.932) 3.601 40.048 ( -4.681 -9.306 4.267) 11.257 40.048 ( -4.681 9.306 4.267) 11.257 40.571 ( -0.114 -14.774 -2.283) 14.950 40.571 ( -0.114 14.774 -2.283) 14.950 40.924 ( 9.041 -6.667 1.921) 11.396 40.924 ( 9.041 6.667 1.921) 11.396 41.838 ( 2.012 -1.648 -2.024) 3.296 41.838 ( 2.012 1.648 -2.024) 3.296 42.184 ( 0.015 -5.865 3.360) 6.760 42.184 ( 0.015 5.865 3.360) 6.760 42.896 ( -0.526 -11.335 3.543) 11.888 42.896 ( -0.526 11.335 3.543) 11.888 43.554 ( 8.444 -6.619 -3.244) 11.209 43.554 ( 8.444 6.619 -3.244) 11.209 43.976 ( -7.972 -3.043 0.811) 8.572 43.976 ( -7.972 3.043 0.811) 8.572 44.648 ( 3.035 -2.435 -3.253) 5.072 44.648 ( 3.035 2.435 -3.253) 5.072 ======================= Grid point 91 (41/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -2.327 0.000 20.361) 20.493 1.801 ( -0.669 0.000 24.999) 25.008 1.871 ( -7.042 0.000 17.633) 18.987 1.901 ( 6.367 0.000 2.160) 6.723 2.310 ( 28.488 0.000 -5.994) 29.112 2.520 ( 14.640 0.000 4.352) 15.273 2.611 ( 5.684 0.000 14.463) 15.540 2.823 ( 2.208 0.000 2.916) 3.657 2.849 ( 8.850 0.000 4.178) 9.787 2.879 ( -1.778 0.000 5.549) 5.827 2.972 ( 7.444 0.000 7.471) 10.546 3.238 ( -7.222 0.000 0.953) 7.285 3.389 ( -5.801 0.000 -8.063) 9.933 3.429 ( 6.392 0.000 14.383) 15.739 3.697 ( 0.420 0.000 21.038) 21.043 3.710 ( -2.043 0.000 -2.397) 3.149 3.714 ( -2.055 0.000 0.483) 2.111 4.056 ( 12.576 0.000 7.157) 14.470 4.198 ( -9.343 0.000 -0.850) 9.381 4.357 ( -2.777 0.000 -9.871) 10.254 4.438 ( -8.070 0.000 3.986) 9.001 4.547 ( -6.791 0.000 -11.234) 13.127 4.764 ( 1.579 0.000 9.431) 9.563 4.792 ( 10.127 0.000 -5.233) 11.399 4.908 ( -2.949 0.000 0.704) 3.032 4.942 ( -5.687 0.000 10.133) 11.620 5.099 ( -16.522 0.000 -22.170) 27.649 5.246 ( -5.471 0.000 -5.957) 8.088 5.379 ( -8.007 0.000 9.659) 12.546 5.563 ( -2.580 0.000 -19.188) 19.361 5.593 ( 2.175 0.000 -4.541) 5.036 5.669 ( -1.167 0.000 -9.625) 9.696 5.824 ( -7.610 0.000 14.902) 16.733 5.883 ( 1.103 0.000 -3.106) 3.296 5.965 ( 5.990 0.000 -2.415) 6.459 6.383 ( -5.642 0.000 -0.392) 5.655 6.490 ( 3.202 0.000 2.243) 3.909 6.540 ( -1.638 0.000 13.036) 13.139 6.595 ( 0.244 0.000 -6.095) 6.099 6.956 ( 4.135 0.000 -9.930) 10.757 7.006 ( 2.892 0.000 15.437) 15.706 7.122 ( -2.060 0.000 6.816) 7.120 7.377 ( -5.772 0.000 -1.225) 5.901 7.668 ( 4.791 0.000 1.707) 5.086 7.710 ( -9.891 0.000 5.450) 11.293 7.790 ( -13.559 0.000 1.517) 13.644 7.905 ( 10.857 0.000 0.058) 10.857 7.947 ( 3.203 0.000 0.448) 3.234 8.050 ( -1.138 0.000 -6.344) 6.445 8.345 ( 5.676 0.000 -11.532) 12.853 8.537 ( -1.321 0.000 1.688) 2.143 8.694 ( 5.055 0.000 -11.504) 12.566 8.843 ( 0.400 0.000 0.206) 0.450 8.913 ( 13.286 0.000 2.740) 13.566 9.074 ( -2.265 0.000 -0.487) 2.317 9.079 ( -2.170 0.000 2.395) 3.232 9.319 ( 7.795 0.000 -3.303) 8.466 9.360 ( 6.324 0.000 7.107) 9.513 9.391 ( 0.773 0.000 7.683) 7.722 9.407 ( 7.380 0.000 2.024) 7.653 9.888 ( -15.390 0.000 -17.014) 22.942 10.172 ( -1.219 0.000 -4.147) 4.323 10.292 ( -4.969 0.000 -0.725) 5.022 10.393 ( -7.291 0.000 -8.084) 10.887 11.119 ( -0.676 0.000 2.282) 2.380 11.165 ( 4.477 0.000 2.453) 5.105 11.319 ( 5.054 0.000 2.588) 5.678 11.391 ( -6.222 0.000 -4.845) 7.886 11.950 ( 0.521 0.000 3.251) 3.292 12.146 ( 0.853 0.000 -3.765) 3.861 12.184 ( 4.086 0.000 1.784) 4.459 12.352 ( -8.363 0.000 -5.852) 10.207 12.940 ( 5.645 0.000 5.234) 7.698 12.990 ( -1.656 0.000 2.486) 2.986 13.354 ( -5.829 0.000 4.208) 7.189 13.502 ( 4.443 0.000 1.730) 4.768 13.662 ( 4.445 0.000 -4.560) 6.368 13.727 ( -3.186 0.000 -2.584) 4.102 13.799 ( -0.185 0.000 -2.747) 2.753 13.838 ( -1.742 0.000 -3.765) 4.148 14.052 ( 0.376 0.000 -1.092) 1.155 14.142 ( 2.310 0.000 -2.530) 3.426 14.956 ( 8.090 0.000 6.985) 10.688 14.962 ( 0.223 0.000 7.063) 7.066 15.164 ( 0.626 0.000 6.189) 6.221 15.374 ( 5.126 0.000 0.114) 5.128 15.484 ( -4.506 0.000 -5.011) 6.739 15.568 ( -12.310 0.000 -15.421) 19.732 16.006 ( -3.171 0.000 -2.026) 3.763 16.158 ( -3.983 0.000 -1.937) 4.429 16.358 ( -7.434 0.000 11.474) 13.672 16.424 ( 4.001 0.000 2.765) 4.863 16.768 ( -0.174 0.000 1.471) 1.481 16.981 ( -4.756 0.000 -13.905) 14.696 17.345 ( 3.616 0.000 5.796) 6.831 17.390 ( 3.201 0.000 -4.065) 5.174 17.774 ( -1.449 0.000 23.504) 23.548 18.055 ( -4.078 0.000 6.648) 7.799 18.133 ( -2.726 0.000 -2.829) 3.929 18.296 ( 2.591 0.000 0.052) 2.592 18.332 ( 3.725 0.000 4.155) 5.580 18.512 ( 12.170 0.000 -6.203) 13.660 18.556 ( -1.047 0.000 2.692) 2.889 18.689 ( 0.471 0.000 -3.159) 3.194 18.718 ( -3.085 0.000 2.379) 3.896 19.002 ( 2.490 0.000 5.481) 6.020 19.034 ( 3.365 0.000 -0.941) 3.494 19.104 ( -4.461 0.000 -0.453) 4.484 19.107 ( -0.038 0.000 0.694) 0.695 19.347 ( 6.043 0.000 0.692) 6.083 19.408 ( -3.618 0.000 -2.189) 4.229 19.478 ( 3.346 0.000 3.539) 4.870 19.523 ( 1.530 0.000 -6.133) 6.321 19.593 ( 10.810 0.000 -15.260) 18.701 19.855 ( -3.651 0.000 4.859) 6.078 20.166 ( 11.537 0.000 0.624) 11.554 20.166 ( -10.534 0.000 -2.383) 10.800 20.188 ( 0.838 0.000 -1.986) 2.155 20.300 ( 0.363 0.000 1.560) 1.602 20.538 ( -0.735 0.000 -9.517) 9.545 20.682 ( -0.720 0.000 3.021) 3.106 20.691 ( 4.554 0.000 6.994) 8.346 20.831 ( -1.573 0.000 -1.729) 2.337 21.668 ( -5.906 0.000 -32.791) 33.318 22.382 ( -0.247 0.000 1.149) 1.175 22.408 ( 0.737 0.000 -0.074) 0.741 22.442 ( -2.102 0.000 0.667) 2.205 22.503 ( -0.496 0.000 -1.465) 1.546 22.852 ( -0.062 0.000 -0.402) 0.407 22.865 ( 0.209 0.000 -0.879) 0.904 23.093 ( -0.073 0.000 1.069) 1.071 23.135 ( 0.985 0.000 -0.544) 1.125 23.801 ( -6.058 0.000 2.782) 6.666 23.940 ( -0.221 0.000 -4.504) 4.509 24.840 ( 18.701 0.000 11.855) 22.142 25.129 ( 5.124 0.000 14.063) 14.968 25.220 ( -19.042 0.000 9.116) 21.111 25.331 ( -6.551 0.000 3.730) 7.538 25.673 ( 2.039 0.000 -8.915) 9.146 25.894 ( -5.027 0.000 -6.097) 7.902 26.558 ( 3.730 0.000 11.091) 11.701 26.761 ( 8.868 0.000 18.650) 20.651 26.856 ( -2.972 0.000 -6.584) 7.224 27.121 ( -6.689 0.000 7.248) 9.863 27.125 ( 2.414 0.000 -5.423) 5.936 27.757 ( 2.434 0.000 -9.676) 9.977 28.330 ( 4.782 0.000 1.359) 4.971 28.341 ( -0.797 0.000 4.024) 4.102 28.382 ( -10.744 0.000 10.282) 14.871 28.719 ( -5.102 0.000 8.188) 9.648 28.836 ( 8.980 0.000 -19.793) 21.735 29.192 ( 8.862 0.000 -4.109) 9.768 29.212 ( 0.526 0.000 2.406) 2.463 29.346 ( -0.207 0.000 2.266) 2.276 29.371 ( 3.838 0.000 -4.842) 6.178 29.560 ( -0.667 0.000 -7.685) 7.714 29.962 ( -6.001 0.000 -0.397) 6.014 30.165 ( 0.523 0.000 -5.286) 5.312 31.169 ( -16.180 0.000 8.610) 18.329 31.196 ( 4.378 0.000 1.352) 4.582 31.474 ( -10.773 0.000 -11.409) 15.691 31.568 ( 2.368 0.000 -6.011) 6.460 32.047 ( 7.767 0.000 18.191) 19.780 32.388 ( -2.943 0.000 8.657) 9.143 32.698 ( -0.367 0.000 -1.615) 1.656 32.711 ( 5.220 0.000 2.315) 5.710 32.888 ( -5.924 0.000 -2.444) 6.409 32.958 ( 10.080 0.000 -3.423) 10.645 33.674 ( -6.983 0.000 9.952) 12.157 34.141 ( -4.855 0.000 4.271) 6.466 34.210 ( 7.715 0.000 -13.643) 15.673 34.422 ( 6.876 0.000 -8.232) 10.726 37.631 ( 2.824 0.000 2.195) 3.577 37.731 ( 0.231 0.000 -1.436) 1.455 37.838 ( -2.560 0.000 4.958) 5.580 38.157 ( -1.447 0.000 -8.887) 9.004 38.926 ( -0.650 0.000 0.272) 0.705 38.942 ( 2.153 0.000 -0.617) 2.240 39.186 ( -0.388 0.000 -2.981) 3.006 39.200 ( -5.061 0.000 -1.989) 5.437 39.348 ( 6.186 0.000 7.154) 9.458 39.556 ( -2.750 0.000 -1.914) 3.350 39.574 ( -4.124 0.000 5.210) 6.645 39.643 ( 7.910 0.000 -0.751) 7.946 39.847 ( 3.836 0.000 3.289) 5.053 39.866 ( 0.457 0.000 3.137) 3.171 39.965 ( 6.491 0.000 10.680) 12.498 40.062 ( 2.628 0.000 10.312) 10.642 40.454 ( -7.185 0.000 -8.824) 11.379 40.778 ( -13.303 0.000 -18.025) 22.403 40.991 ( -15.194 0.000 -5.762) 16.250 41.015 ( 9.108 0.000 -3.095) 9.620 41.776 ( -7.143 0.000 4.226) 8.299 42.141 ( 3.208 0.000 -8.645) 9.221 42.357 ( 2.067 0.000 1.200) 2.390 42.459 ( 11.575 0.000 -4.351) 12.366 43.021 ( -5.199 0.000 10.987) 12.155 43.153 ( -14.498 0.000 17.099) 22.418 43.511 ( -1.946 0.000 7.375) 7.627 43.584 ( 0.101 0.000 -8.291) 8.291 43.648 ( 12.641 0.000 -5.877) 13.941 44.201 ( 3.868 0.000 -17.413) 17.838 44.675 ( 2.422 0.000 4.060) 4.727 44.715 ( 7.718 0.000 1.320) 7.830 ======================= Grid point 92 (42/80) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -19.521 0.000 19.726) 27.752 1.601 ( -8.372 0.000 -14.566) 16.801 1.876 ( 3.209 0.000 -2.545) 4.095 2.115 ( 1.964 0.000 5.841) 6.162 2.481 ( -0.482 0.000 0.463) 0.669 2.722 ( -5.774 0.000 2.323) 6.224 2.731 ( 7.073 0.000 -2.058) 7.366 2.885 ( -2.805 0.000 -5.877) 6.512 2.955 ( 7.101 0.000 9.782) 12.087 3.078 ( -5.880 0.000 -5.523) 8.067 3.103 ( 4.557 0.000 10.705) 11.635 3.199 ( 6.806 0.000 2.900) 7.398 3.336 ( 1.061 0.000 15.100) 15.138 3.535 ( 0.414 0.000 -3.733) 3.756 3.662 ( -3.083 0.000 -4.351) 5.333 3.765 ( 6.892 0.000 2.194) 7.233 3.860 ( -13.771 0.000 7.572) 15.715 4.015 ( -16.076 0.000 -23.007) 28.067 4.152 ( -0.102 0.000 9.171) 9.172 4.291 ( 5.312 0.000 5.799) 7.864 4.292 ( 6.135 0.000 1.243) 6.260 4.506 ( 6.184 0.000 0.874) 6.245 4.572 ( -11.180 0.000 -11.241) 15.854 4.864 ( 1.503 0.000 -1.798) 2.343 4.877 ( -3.215 0.000 12.754) 13.153 4.886 ( 5.096 0.000 -8.529) 9.936 5.039 ( 1.530 0.000 3.970) 4.255 5.223 ( 1.815 0.000 5.875) 6.149 5.333 ( -4.203 0.000 -6.976) 8.144 5.431 ( 0.187 0.000 12.760) 12.762 5.544 ( -1.618 0.000 -8.850) 8.997 5.640 ( 3.183 0.000 -2.111) 3.820 5.773 ( -14.629 0.000 16.182) 21.815 5.859 ( 2.498 0.000 -4.877) 5.479 6.037 ( 0.335 0.000 2.644) 2.665 6.258 ( -9.171 0.000 4.674) 10.294 6.478 ( -5.006 0.000 -2.976) 5.824 6.580 ( 4.168 0.000 -5.093) 6.581 6.626 ( -0.262 0.000 7.703) 7.708 6.936 ( 4.322 0.000 -10.642) 11.486 7.128 ( -5.334 0.000 8.009) 9.623 7.231 ( 0.849 0.000 13.865) 13.891 7.309 ( -1.912 0.000 9.338) 9.532 7.514 ( -16.192 0.000 -0.722) 16.208 7.684 ( -2.442 0.000 -17.597) 17.766 7.705 ( 2.605 0.000 11.159) 11.459 7.831 ( 3.527 0.000 -0.500) 3.563 7.940 ( -4.657 0.000 0.396) 4.674 8.211 ( 10.007 0.000 -2.634) 10.348 8.326 ( -1.205 0.000 -4.305) 4.471 8.508 ( -3.148 0.000 0.025) 3.148 8.670 ( 5.288 0.000 -14.215) 15.167 8.875 ( 3.091 0.000 -4.185) 5.203 9.022 ( 0.220 0.000 -1.099) 1.121 9.030 ( -1.435 0.000 -0.808) 1.647 9.108 ( 3.082 0.000 0.819) 3.189 9.312 ( -0.531 0.000 -1.548) 1.637 9.419 ( -9.396 0.000 -9.322) 13.236 9.449 ( 8.855 0.000 -4.251) 9.822 9.598 ( 8.567 0.000 4.295) 9.584 9.818 ( 7.395 0.000 18.407) 19.837 10.026 ( -4.611 0.000 -14.380) 15.101 10.249 ( -1.304 0.000 5.029) 5.196 10.288 ( 1.097 0.000 1.129) 1.574 11.105 ( -2.940 0.000 0.720) 3.027 11.214 ( -0.056 0.000 -2.089) 2.090 11.271 ( -3.564 0.000 -0.373) 3.583 11.417 ( 4.445 0.000 1.323) 4.638 11.971 ( -0.973 0.000 3.480) 3.614 12.091 ( -4.682 0.000 -6.811) 8.265 12.206 ( -0.679 0.000 -2.221) 2.322 12.321 ( 7.391 0.000 4.405) 8.605 12.959 ( -3.300 0.000 -0.306) 3.314 13.052 ( 2.557 0.000 2.498) 3.575 13.267 ( -6.397 0.000 2.868) 7.011 13.563 ( 1.973 0.000 -1.638) 2.565 13.678 ( -3.256 0.000 0.897) 3.378 13.706 ( 2.332 0.000 -0.568) 2.400 13.735 ( -1.929 0.000 -5.739) 6.054 13.799 ( 2.030 0.000 -0.448) 2.079 14.120 ( 7.875 0.000 0.362) 7.884 14.208 ( 7.258 0.000 -3.734) 8.163 14.931 ( -8.338 0.000 -1.605) 8.491 15.068 ( 0.176 0.000 1.852) 1.860 15.251 ( -4.044 0.000 5.771) 7.046 15.318 ( -2.794 0.000 -6.367) 6.954 15.416 ( 5.259 0.000 0.648) 5.298 15.481 ( 4.160 0.000 3.462) 5.412 15.939 ( -2.133 0.000 2.696) 3.437 16.092 ( 0.855 0.000 -3.349) 3.456 16.379 ( -3.755 0.000 14.114) 14.605 16.575 ( 5.516 0.000 11.282) 12.558 16.775 ( -5.630 0.000 -12.548) 13.753 16.807 ( 1.430 0.000 -2.483) 2.866 17.340 ( -2.115 0.000 -3.930) 4.463 17.422 ( 3.003 0.000 -2.498) 3.906 17.862 ( -8.368 0.000 15.194) 17.346 18.015 ( -5.858 0.000 7.076) 9.186 18.035 ( -4.688 0.000 0.104) 4.689 18.343 ( 1.756 0.000 -0.147) 1.762 18.384 ( 0.605 0.000 -2.399) 2.474 18.619 ( 3.388 0.000 3.566) 4.918 18.636 ( 5.229 0.000 -5.424) 7.533 18.682 ( 2.060 0.000 -6.644) 6.956 18.731 ( 1.834 0.000 8.455) 8.651 19.052 ( -1.786 0.000 1.895) 2.604 19.056 ( 5.758 0.000 -4.423) 7.261 19.110 ( 3.780 0.000 -2.194) 4.371 19.140 ( 1.307 0.000 2.462) 2.787 19.301 ( -4.447 0.000 -2.769) 5.238 19.363 ( -0.681 0.000 -10.788) 10.810 19.465 ( 1.220 0.000 -3.465) 3.674 19.585 ( 5.850 0.000 1.164) 5.964 19.679 ( 10.902 0.000 -12.952) 16.929 19.926 ( 4.755 0.000 10.016) 11.088 19.950 ( -11.845 0.000 -1.163) 11.902 20.147 ( 1.340 0.000 -5.872) 6.023 20.336 ( -4.534 0.000 -5.234) 6.924 20.376 ( 1.147 0.000 3.540) 3.721 20.401 ( 6.739 0.000 -2.472) 7.178 20.766 ( 0.602 0.000 -0.689) 0.915 20.793 ( 7.682 0.000 3.902) 8.616 20.904 ( 3.957 0.000 14.784) 15.304 21.232 ( -8.867 0.000 -31.139) 32.377 22.378 ( -1.393 0.000 0.723) 1.569 22.415 ( 0.561 0.000 -0.484) 0.741 22.445 ( 0.846 0.000 2.750) 2.877 22.501 ( 1.225 0.000 -0.932) 1.539 22.851 ( 0.372 0.000 -0.388) 0.538 22.869 ( 0.958 0.000 -0.670) 1.169 23.098 ( -0.422 0.000 0.925) 1.017 23.141 ( 0.654 0.000 -1.312) 1.467 23.746 ( -4.028 0.000 5.160) 6.545 23.940 ( 2.543 0.000 -0.759) 2.654 24.757 ( -25.030 0.000 -1.900) 25.102 25.218 ( 9.437 0.000 4.821) 10.597 25.374 ( 6.584 0.000 6.676) 9.377 25.429 ( -1.899 0.000 22.011) 22.093 25.630 ( 5.813 0.000 -6.938) 9.052 25.758 ( -1.948 0.000 -9.456) 9.654 26.745 ( -0.971 0.000 -5.569) 5.653 26.751 ( 5.594 0.000 10.263) 11.688 26.959 ( -3.690 0.000 2.029) 4.211 27.119 ( 0.104 0.000 18.137) 18.137 27.160 ( 4.741 0.000 -5.650) 7.376 27.666 ( 1.546 0.000 -15.768) 15.844 28.214 ( -7.909 0.000 -0.133) 7.910 28.404 ( 2.105 0.000 0.364) 2.136 28.415 ( -1.983 0.000 8.928) 9.145 28.688 ( -7.381 0.000 9.351) 11.913 28.912 ( 15.771 0.000 -14.292) 21.284 29.233 ( -0.662 0.000 1.968) 2.076 29.282 ( 5.570 0.000 -7.301) 9.183 29.363 ( 1.351 0.000 -4.515) 4.713 29.387 ( 1.387 0.000 3.944) 4.180 29.464 ( -1.373 0.000 -8.965) 9.070 29.900 ( -2.543 0.000 3.925) 4.677 30.194 ( 8.356 0.000 -4.593) 9.536 31.089 ( -7.293 0.000 16.559) 18.094 31.193 ( -12.045 0.000 -7.198) 14.032 31.295 ( 4.966 0.000 2.713) 5.659 31.618 ( 7.065 0.000 -1.469) 7.216 32.275 ( -11.669 0.000 -4.252) 12.420 32.300 ( 3.200 0.000 18.232) 18.511 32.683 ( -1.350 0.000 -0.691) 1.517 32.762 ( 1.032 0.000 -2.890) 3.068 32.782 ( -3.748 0.000 0.418) 3.771 33.087 ( 9.748 0.000 -7.463) 12.277 33.636 ( -7.572 0.000 10.617) 13.041 34.073 ( -6.256 0.000 3.103) 6.983 34.216 ( 6.923 0.000 -13.955) 15.578 34.480 ( 6.956 0.000 -6.827) 9.747 37.664 ( -3.194 0.000 -2.984) 4.371 37.702 ( 2.572 0.000 1.825) 3.153 37.904 ( 1.341 0.000 7.287) 7.410 38.064 ( -0.191 0.000 -7.089) 7.091 38.911 ( -0.867 0.000 -0.126) 0.876 38.977 ( 2.334 0.000 -1.663) 2.866 39.117 ( -3.061 0.000 0.248) 3.071 39.190 ( 1.608 0.000 0.915) 1.850 39.488 ( -1.518 0.000 -4.977) 5.203 39.491 ( -2.364 0.000 1.729) 2.929 39.534 ( 3.050 0.000 4.092) 5.103 39.746 ( 4.589 0.000 -0.887) 4.674 39.856 ( -1.241 0.000 0.244) 1.264 39.885 ( -0.311 0.000 0.063) 0.317 40.103 ( -9.936 0.000 -2.286) 10.195 40.178 ( 3.925 0.000 11.593) 12.240 40.428 ( -6.768 0.000 -14.545) 16.042 40.456 ( 10.117 0.000 10.085) 14.285 40.737 ( -10.189 0.000 0.942) 10.232 41.182 ( 10.669 0.000 1.259) 10.743 41.723 ( -2.800 0.000 3.435) 4.432 42.075 ( -4.300 0.000 -3.034) 5.262 42.370 ( -1.935 0.000 1.192) 2.273 42.547 ( 9.108 0.000 -13.740) 16.485 42.968 ( -10.945 0.000 9.368) 14.407 43.057 ( -18.147 0.000 20.573) 27.433 43.313 ( -13.744 0.000 1.114) 13.789 43.679 ( 7.471 0.000 -2.311) 7.820 43.764 ( 5.998 0.000 -7.667) 9.734 44.116 ( 4.705 0.000 -15.409) 16.111 44.718 ( -4.705 0.000 -0.898) 4.790 44.730 ( 1.302 0.000 -0.457) 1.380 ======================= Grid point 93 (43/80) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -11.884 0.000 -8.700) 14.728 1.415 ( 4.048 0.000 -15.137) 15.669 1.905 ( 0.650 0.000 -2.403) 2.489 2.102 ( -4.401 0.000 -3.219) 5.453 2.334 ( -25.670 0.000 -21.436) 33.443 2.522 ( 0.327 0.000 -5.037) 5.048 2.663 ( -2.287 0.000 4.067) 4.666 2.806 ( -25.447 0.000 -45.022) 51.715 2.855 ( -1.009 0.000 -3.025) 3.189 3.015 ( 4.550 0.000 -5.840) 7.403 3.035 ( -7.112 0.000 -11.167) 13.240 3.183 ( -8.317 0.000 12.663) 15.150 3.307 ( -5.370 0.000 1.176) 5.497 3.468 ( -3.912 0.000 7.778) 8.707 3.679 ( 1.012 0.000 0.505) 1.131 3.777 ( 6.830 0.000 -5.124) 8.539 3.788 ( -6.336 0.000 6.925) 9.386 3.894 ( 9.076 0.000 -5.808) 10.775 4.026 ( -7.700 0.000 4.491) 8.914 4.361 ( -2.498 0.000 15.866) 16.061 4.367 ( -3.179 0.000 -2.350) 3.953 4.578 ( -0.823 0.000 -2.240) 2.387 4.746 ( 10.892 0.000 4.516) 11.791 4.915 ( 9.972 0.000 0.152) 9.973 4.940 ( -2.412 0.000 22.690) 22.818 5.016 ( 7.594 0.000 8.626) 11.492 5.123 ( 7.834 0.000 5.264) 9.438 5.341 ( 3.686 0.000 7.794) 8.621 5.343 ( 4.027 0.000 5.410) 6.744 5.385 ( -4.597 0.000 -14.256) 14.979 5.553 ( -6.708 0.000 18.152) 19.352 5.609 ( -1.797 0.000 -6.452) 6.697 5.694 ( -0.015 0.000 5.917) 5.917 5.996 ( 12.199 0.000 3.671) 12.739 6.043 ( -9.623 0.000 21.243) 23.321 6.148 ( -6.755 0.000 2.318) 7.142 6.318 ( -8.937 0.000 -3.974) 9.781 6.611 ( 4.771 0.000 -6.028) 7.688 6.669 ( 0.748 0.000 -0.155) 0.764 6.924 ( 3.488 0.000 -8.206) 8.917 7.086 ( -2.587 0.000 0.258) 2.600 7.201 ( -6.924 0.000 2.298) 7.296 7.239 ( -10.426 0.000 -3.068) 10.868 7.462 ( 1.646 0.000 14.249) 14.344 7.477 ( -2.837 0.000 -15.386) 15.645 7.851 ( -5.480 0.000 3.172) 6.332 7.930 ( 4.600 0.000 -0.647) 4.645 8.014 ( 11.029 0.000 22.077) 24.679 8.180 ( -7.924 0.000 -8.402) 11.549 8.222 ( -6.129 0.000 -2.182) 6.506 8.387 ( -8.746 0.000 -7.929) 11.805 8.652 ( 7.152 0.000 -13.149) 14.968 8.833 ( 5.824 0.000 -17.425) 18.373 8.968 ( -4.119 0.000 -2.417) 4.776 9.038 ( 0.688 0.000 2.826) 2.908 9.165 ( 3.195 0.000 0.756) 3.283 9.261 ( -0.625 0.000 -0.817) 1.028 9.447 ( 10.425 0.000 4.053) 11.185 9.460 ( -0.052 0.000 -9.206) 9.207 9.652 ( 2.148 0.000 -9.589) 9.827 10.017 ( -0.561 0.000 9.670) 9.686 10.027 ( 8.621 0.000 5.607) 10.284 10.338 ( 1.391 0.000 12.895) 12.970 10.339 ( 0.518 0.000 1.766) 1.841 11.056 ( -2.024 0.000 0.022) 2.024 11.192 ( 1.786 0.000 0.093) 1.789 11.247 ( -0.266 0.000 -0.330) 0.424 11.489 ( 1.905 0.000 1.566) 2.466 11.942 ( -3.405 0.000 -6.300) 7.162 11.972 ( -2.700 0.000 3.221) 4.203 12.248 ( 4.194 0.000 1.098) 4.335 12.464 ( 3.395 0.000 4.316) 5.491 12.876 ( -3.302 0.000 -3.668) 4.935 13.069 ( -0.700 0.000 -1.336) 1.508 13.238 ( -1.319 0.000 5.714) 5.864 13.547 ( -1.049 0.000 -2.748) 2.942 13.592 ( -2.886 0.000 -1.769) 3.385 13.720 ( -0.414 0.000 0.481) 0.635 13.746 ( 2.799 0.000 0.451) 2.835 13.823 ( 0.813 0.000 -2.604) 2.728 14.273 ( 7.762 0.000 0.525) 7.780 14.296 ( 6.782 0.000 -4.196) 7.975 14.738 ( -8.281 0.000 -3.130) 8.853 15.039 ( -4.233 0.000 -5.027) 6.572 15.109 ( -8.677 0.000 2.713) 9.091 15.338 ( 5.769 0.000 0.514) 5.791 15.533 ( 0.741 0.000 -0.082) 0.746 15.626 ( 8.312 0.000 10.324) 13.254 16.042 ( 4.026 0.000 16.915) 17.387 16.136 ( 4.788 0.000 0.946) 4.880 16.473 ( 1.498 0.000 9.054) 9.177 16.598 ( -4.530 0.000 -3.672) 5.831 16.611 ( -12.573 0.000 -6.179) 14.009 16.828 ( 7.639 0.000 6.778) 10.212 17.373 ( 5.387 0.000 3.953) 6.682 17.375 ( -2.378 0.000 -10.247) 10.520 17.756 ( -9.707 0.000 -0.518) 9.721 17.976 ( -2.125 0.000 -1.731) 2.741 18.036 ( -3.561 0.000 15.188) 15.600 18.295 ( -4.188 0.000 -7.597) 8.674 18.344 ( -2.327 0.000 -1.736) 2.903 18.639 ( 3.510 0.000 -8.728) 9.408 18.649 ( -0.969 0.000 1.627) 1.894 18.667 ( 0.898 0.000 1.106) 1.425 18.916 ( 3.759 0.000 4.980) 6.239 18.971 ( -5.676 0.000 2.752) 6.308 19.077 ( 4.773 0.000 -17.116) 17.770 19.159 ( 2.273 0.000 0.596) 2.350 19.171 ( 5.140 0.000 -2.896) 5.899 19.247 ( 0.788 0.000 -9.731) 9.763 19.270 ( 0.335 0.000 1.198) 1.244 19.461 ( -1.182 0.000 0.960) 1.523 19.624 ( -2.987 0.000 -4.391) 5.311 19.695 ( 3.130 0.000 -14.316) 14.655 19.810 ( -0.741 0.000 -0.722) 1.035 20.052 ( -5.362 0.000 -3.300) 6.297 20.158 ( 3.665 0.000 -0.573) 3.709 20.227 ( 7.310 0.000 7.848) 10.726 20.381 ( -2.343 0.000 2.168) 3.192 20.532 ( 5.465 0.000 -2.097) 5.854 20.772 ( 0.608 0.000 -1.424) 1.549 20.801 ( -3.612 0.000 -14.691) 15.128 21.088 ( -1.037 0.000 17.974) 18.003 21.107 ( 15.869 0.000 -4.503) 16.495 22.360 ( -1.246 0.000 0.911) 1.544 22.420 ( 0.556 0.000 -0.720) 0.909 22.504 ( 2.490 0.000 3.192) 4.049 22.520 ( 1.610 0.000 -0.331) 1.644 22.857 ( 0.525 0.000 -0.216) 0.568 22.882 ( 1.050 0.000 -0.650) 1.235 23.093 ( -0.794 0.000 0.452) 0.913 23.138 ( 0.757 0.000 -1.870) 2.017 23.777 ( 1.064 0.000 9.663) 9.721 23.998 ( 3.687 0.000 1.511) 3.985 24.380 ( -17.224 0.000 -1.208) 17.267 25.096 ( -11.212 0.000 -16.495) 19.945 25.521 ( 4.499 0.000 5.249) 6.914 25.580 ( -4.804 0.000 27.053) 27.476 25.663 ( 3.075 0.000 -5.693) 6.471 25.862 ( 11.497 0.000 3.739) 12.090 26.644 ( -13.604 0.000 -14.440) 19.839 26.724 ( 2.922 0.000 -6.337) 6.978 27.008 ( -0.047 0.000 14.753) 14.753 27.210 ( 9.261 0.000 -6.631) 11.390 27.276 ( -2.502 0.000 16.079) 16.272 27.606 ( 7.994 0.000 -13.710) 15.870 28.124 ( -4.505 0.000 3.652) 5.799 28.404 ( -1.036 0.000 -2.225) 2.455 28.457 ( -1.093 0.000 7.501) 7.580 28.643 ( -5.742 0.000 7.531) 9.470 29.041 ( 11.652 0.000 -13.770) 18.038 29.213 ( -2.251 0.000 -0.393) 2.285 29.241 ( 1.934 0.000 -11.683) 11.842 29.301 ( -2.033 0.000 -10.360) 10.558 29.441 ( -0.113 0.000 4.635) 4.637 29.448 ( 3.860 0.000 0.029) 3.861 29.948 ( 1.141 0.000 9.126) 9.197 30.358 ( 14.999 0.000 -6.046) 16.172 30.960 ( -12.525 0.000 4.051) 13.164 31.180 ( -0.252 0.000 17.867) 17.868 31.414 ( 4.575 0.000 5.151) 6.890 31.742 ( 6.558 0.000 0.047) 6.559 31.993 ( -12.377 0.000 -8.721) 15.141 32.463 ( -0.821 0.000 14.069) 14.093 32.630 ( -1.538 0.000 -2.648) 3.062 32.700 ( -2.628 0.000 -7.603) 8.044 32.781 ( 0.787 0.000 2.999) 3.101 33.138 ( 5.697 0.000 -12.526) 13.761 33.618 ( -5.971 0.000 12.844) 14.164 33.998 ( -5.912 0.000 4.294) 7.307 34.204 ( 6.053 0.000 -14.134) 15.376 34.523 ( 5.108 0.000 -7.652) 9.200 37.601 ( -1.508 0.000 -2.021) 2.521 37.707 ( -1.810 0.000 -2.595) 3.164 37.976 ( -0.372 0.000 6.876) 6.886 38.075 ( 5.904 0.000 -1.525) 6.098 38.902 ( -0.095 0.000 0.122) 0.154 38.969 ( -0.455 0.000 -2.923) 2.958 39.121 ( 1.007 0.000 3.734) 3.868 39.240 ( 1.801 0.000 3.003) 3.501 39.383 ( -6.313 0.000 -2.224) 6.693 39.433 ( 1.326 0.000 -6.091) 6.234 39.634 ( 1.707 0.000 0.059) 1.708 39.733 ( -3.675 0.000 -6.021) 7.054 39.846 ( -5.844 0.000 -2.946) 6.544 39.864 ( -0.329 0.000 -3.099) 3.117 39.922 ( 0.180 0.000 2.194) 2.201 40.143 ( -5.047 0.000 -0.448) 5.066 40.469 ( 7.527 0.000 4.531) 8.786 40.494 ( -9.330 0.000 4.293) 10.270 40.909 ( 13.656 0.000 18.957) 23.363 41.384 ( 8.190 0.000 7.147) 10.870 41.757 ( 4.512 0.000 2.144) 4.995 41.973 ( -7.755 0.000 3.853) 8.660 42.296 ( -7.380 0.000 -0.633) 7.407 42.543 ( 5.095 0.000 -14.881) 15.729 42.837 ( -21.412 0.000 9.117) 23.273 42.841 ( -10.324 0.000 5.427) 11.663 43.182 ( -3.739 0.000 2.667) 4.592 43.687 ( -2.219 0.000 -13.770) 13.948 43.774 ( 4.125 0.000 1.985) 4.578 44.156 ( 10.941 0.000 -7.813) 13.444 44.581 ( -10.388 0.000 -0.935) 10.430 44.689 ( -2.019 0.000 -7.608) 7.871 ======================= Grid point 94 (44/80) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 5.912 0.000 -24.256) 24.966 1.493 ( 20.475 0.000 -19.025) 27.950 1.585 ( -33.499 0.000 -25.352) 42.011 1.653 ( -37.741 0.000 -53.260) 65.276 1.864 ( -1.408 0.000 -4.125) 4.359 1.979 ( -0.589 0.000 -17.422) 17.432 2.643 ( 3.691 0.000 0.323) 3.705 2.738 ( -7.129 0.000 -8.495) 11.090 2.756 ( -0.531 0.000 9.701) 9.716 2.806 ( -2.493 0.000 -1.353) 2.837 3.130 ( -5.260 0.000 4.321) 6.807 3.140 ( 10.859 0.000 -0.640) 10.878 3.230 ( -10.009 0.000 5.947) 11.642 3.494 ( -1.652 0.000 6.654) 6.856 3.615 ( -5.855 0.000 5.692) 8.165 3.700 ( -3.297 0.000 -13.119) 13.527 3.732 ( -6.503 0.000 6.740) 9.366 3.962 ( 3.237 0.000 -8.564) 9.156 4.045 ( -0.394 0.000 13.605) 13.611 4.363 ( 1.745 0.000 2.394) 2.962 4.513 ( -1.804 0.000 -0.576) 1.893 4.623 ( 10.214 0.000 17.367) 20.148 4.803 ( -2.513 0.000 5.652) 6.186 4.997 ( -6.962 0.000 1.002) 7.034 5.069 ( 2.287 0.000 2.194) 3.169 5.088 ( -1.814 0.000 -19.292) 19.378 5.231 ( -1.855 0.000 8.360) 8.563 5.246 ( -1.650 0.000 12.309) 12.419 5.514 ( 2.333 0.000 12.745) 12.957 5.524 ( 7.326 0.000 8.997) 11.603 5.586 ( 6.637 0.000 -0.953) 6.705 5.672 ( 5.871 0.000 5.925) 8.341 5.828 ( 7.967 0.000 5.539) 9.704 6.065 ( -7.305 0.000 -7.139) 10.214 6.067 ( -9.919 0.000 21.063) 23.282 6.170 ( 3.707 0.000 11.262) 11.856 6.284 ( 4.191 0.000 10.037) 10.877 6.600 ( -5.735 0.000 -4.767) 7.457 6.633 ( 7.247 0.000 -12.387) 14.351 6.915 ( -0.462 0.000 3.450) 3.480 7.029 ( -7.720 0.000 0.463) 7.734 7.075 ( 5.179 0.000 -8.756) 10.173 7.223 ( 4.004 0.000 1.046) 4.138 7.308 ( -4.811 0.000 -9.249) 10.425 7.632 ( 4.053 0.000 14.488) 15.044 7.845 ( 0.906 0.000 5.636) 5.709 7.904 ( -13.515 0.000 -4.858) 14.362 7.954 ( 6.408 0.000 -9.392) 11.370 8.073 ( -11.692 0.000 -18.846) 22.178 8.169 ( -0.536 0.000 0.866) 1.019 8.308 ( 2.367 0.000 14.662) 14.852 8.678 ( 6.619 0.000 -9.695) 11.739 8.819 ( 9.296 0.000 -16.027) 18.528 8.833 ( -7.995 0.000 -5.273) 9.577 9.080 ( 1.126 0.000 2.984) 3.190 9.221 ( 1.634 0.000 -0.557) 1.727 9.306 ( 3.743 0.000 1.669) 4.098 9.433 ( 4.381 0.000 -1.727) 4.709 9.565 ( -3.725 0.000 -0.798) 3.810 9.581 ( -0.885 0.000 -10.464) 10.502 10.092 ( 6.561 0.000 5.870) 8.803 10.193 ( 0.695 0.000 2.641) 2.731 10.334 ( -0.008 0.000 5.357) 5.357 10.445 ( -1.051 0.000 10.072) 10.127 11.056 ( 1.031 0.000 1.431) 1.764 11.183 ( -2.073 0.000 -3.518) 4.084 11.356 ( 9.415 0.000 5.241) 10.776 11.467 ( -5.474 0.000 -0.603) 5.507 11.922 ( 5.558 0.000 -2.028) 5.916 11.922 ( -5.292 0.000 0.916) 5.371 12.344 ( 4.624 0.000 3.177) 5.611 12.459 ( -5.415 0.000 -1.203) 5.547 12.844 ( 1.551 0.000 0.831) 1.759 13.014 ( -3.081 0.000 -3.712) 4.824 13.290 ( 0.482 0.000 6.309) 6.327 13.489 ( -2.758 0.000 -2.941) 4.032 13.595 ( 3.537 0.000 1.120) 3.710 13.696 ( -1.795 0.000 -2.103) 2.765 13.795 ( 2.161 0.000 0.066) 2.162 13.804 ( 1.179 0.000 -2.049) 2.364 14.327 ( -1.966 0.000 -1.716) 2.610 14.354 ( 3.158 0.000 -3.204) 4.499 14.667 ( 0.508 0.000 3.029) 3.071 14.849 ( -8.188 0.000 -5.346) 9.779 15.072 ( -3.239 0.000 5.828) 6.667 15.424 ( 5.316 0.000 -8.499) 10.024 15.589 ( 3.419 0.000 9.871) 10.446 15.831 ( 5.006 0.000 9.850) 11.049 16.187 ( -2.883 0.000 -10.876) 11.252 16.297 ( 3.769 0.000 14.713) 15.188 16.332 ( -7.739 0.000 5.467) 9.475 16.419 ( 2.119 0.000 -7.989) 8.265 16.749 ( 4.070 0.000 26.471) 26.782 17.025 ( 4.828 0.000 10.830) 11.857 17.187 ( -6.783 0.000 -11.916) 13.711 17.450 ( 0.669 0.000 -7.116) 7.147 17.571 ( -7.491 0.000 -7.409) 10.535 17.924 ( 0.185 0.000 -6.866) 6.869 18.118 ( -2.110 0.000 13.260) 13.427 18.150 ( -1.007 0.000 -7.233) 7.303 18.276 ( -5.307 0.000 -0.321) 5.317 18.627 ( -2.490 0.000 -0.121) 2.493 18.638 ( 3.501 0.000 -5.392) 6.429 18.702 ( 3.409 0.000 -2.300) 4.112 18.800 ( -7.290 0.000 1.432) 7.429 18.993 ( 4.108 0.000 -14.960) 15.513 18.996 ( -0.711 0.000 -1.733) 1.873 19.127 ( -0.641 0.000 -12.278) 12.295 19.263 ( 1.179 0.000 1.090) 1.606 19.278 ( -1.786 0.000 2.278) 2.895 19.310 ( 7.763 0.000 7.083) 10.509 19.461 ( 1.337 0.000 -0.730) 1.523 19.476 ( -6.813 0.000 -4.181) 7.994 19.583 ( -4.134 0.000 -0.039) 4.134 19.851 ( 6.155 0.000 -4.228) 7.467 19.892 ( -3.491 0.000 -11.613) 12.126 20.257 ( 4.556 0.000 5.816) 7.388 20.368 ( -1.567 0.000 3.678) 3.998 20.463 ( 6.765 0.000 5.184) 8.523 20.501 ( -5.148 0.000 -4.880) 7.094 20.711 ( 6.840 0.000 -9.941) 12.067 20.738 ( -2.590 0.000 -3.344) 4.230 21.140 ( -7.777 0.000 11.029) 13.495 21.415 ( 22.032 0.000 -3.001) 22.235 22.356 ( -0.411 0.000 1.513) 1.568 22.415 ( -0.239 0.000 -1.111) 1.136 22.548 ( 1.529 0.000 0.122) 1.534 22.560 ( 1.422 0.000 0.645) 1.561 22.864 ( 0.333 0.000 0.097) 0.347 22.891 ( 0.638 0.000 -0.670) 0.925 23.084 ( -0.485 0.000 0.415) 0.639 23.133 ( 0.673 0.000 -2.258) 2.356 23.974 ( 9.299 0.000 15.783) 18.319 24.094 ( 5.126 0.000 3.671) 6.305 24.147 ( -10.568 0.000 0.657) 10.588 24.706 ( -14.152 0.000 -19.342) 23.967 25.609 ( -3.323 0.000 12.841) 13.264 25.716 ( 4.446 0.000 -0.222) 4.452 25.754 ( -1.087 0.000 24.414) 24.438 26.005 ( 5.926 0.000 -3.012) 6.647 26.227 ( -16.051 0.000 -18.450) 24.455 26.689 ( 2.983 0.000 -12.481) 12.832 27.033 ( -10.558 0.000 9.048) 13.904 27.298 ( -8.501 0.000 12.197) 14.868 27.357 ( 8.850 0.000 -0.258) 8.854 27.729 ( 19.460 0.000 -14.228) 24.106 28.113 ( -2.468 0.000 7.223) 7.633 28.341 ( -2.575 0.000 -4.277) 4.993 28.503 ( -2.693 0.000 9.548) 9.921 28.644 ( -0.963 0.000 6.073) 6.149 29.047 ( 3.213 0.000 -13.131) 13.518 29.137 ( 1.223 0.000 -14.855) 14.905 29.169 ( -1.401 0.000 -1.261) 1.885 29.228 ( 1.562 0.000 -6.772) 6.950 29.451 ( -2.800 0.000 3.516) 4.495 29.524 ( 4.429 0.000 0.146) 4.432 30.066 ( 1.699 0.000 10.228) 10.368 30.480 ( 4.878 0.000 -12.572) 13.485 30.935 ( 1.280 0.000 18.971) 19.014 31.378 ( 4.999 0.000 18.170) 18.845 31.435 ( -6.860 0.000 -3.404) 7.658 31.799 ( 1.009 0.000 -1.871) 2.126 31.845 ( 1.998 0.000 2.702) 3.361 32.456 ( -5.963 0.000 -8.968) 10.769 32.602 ( -2.733 0.000 1.888) 3.322 32.621 ( 2.551 0.000 -1.313) 2.869 32.847 ( 3.532 0.000 3.367) 4.879 33.043 ( -2.269 0.000 -16.320) 16.476 33.652 ( -3.947 0.000 13.321) 13.894 33.968 ( -3.796 0.000 9.284) 10.030 34.185 ( 6.141 0.000 -13.815) 15.119 34.514 ( 2.878 0.000 -10.129) 10.529 37.581 ( 0.594 0.000 -0.847) 1.035 37.633 ( -2.708 0.000 -3.424) 4.365 38.006 ( -2.588 0.000 5.808) 6.358 38.189 ( 7.463 0.000 -1.498) 7.611 38.908 ( 0.460 0.000 0.327) 0.564 38.936 ( -0.786 0.000 -1.675) 1.850 39.193 ( 2.416 0.000 6.030) 6.496 39.265 ( -4.980 0.000 -1.952) 5.349 39.296 ( 2.748 0.000 1.573) 3.166 39.442 ( 3.580 0.000 -3.011) 4.678 39.576 ( -4.867 0.000 -8.550) 9.838 39.597 ( -4.460 0.000 -2.357) 5.045 39.685 ( -5.648 0.000 -1.253) 5.786 39.802 ( -3.469 0.000 -3.097) 4.651 40.075 ( 6.825 0.000 5.518) 8.777 40.094 ( -4.375 0.000 3.284) 5.471 40.408 ( -4.284 0.000 7.160) 8.344 40.603 ( 6.530 0.000 -0.701) 6.567 41.310 ( 11.811 0.000 22.100) 25.058 41.544 ( 0.563 0.000 8.592) 8.610 41.853 ( -11.102 0.000 2.441) 11.367 41.907 ( 10.289 0.000 1.294) 10.370 42.143 ( -8.030 0.000 0.021) 8.030 42.485 ( -0.160 0.000 -16.462) 16.462 42.586 ( -9.973 0.000 11.036) 14.875 42.746 ( -3.551 0.000 1.426) 3.827 43.197 ( 2.584 0.000 1.550) 3.014 43.529 ( -0.441 0.000 -14.875) 14.882 43.862 ( 1.641 0.000 7.721) 7.894 44.302 ( 10.528 0.000 -2.596) 10.843 44.350 ( -15.242 0.000 -1.513) 15.317 44.550 ( -2.823 0.000 -12.891) 13.196 ======================= Grid point 95 (45/80) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -16.983 0.000 5.443) 17.834 0.933 ( -17.252 0.000 -3.025) 17.515 1.036 ( 22.324 0.000 -4.505) 22.774 1.670 ( 24.411 0.000 -32.375) 40.547 1.835 ( -0.291 0.000 1.217) 1.251 1.937 ( 9.541 0.000 -5.967) 11.253 2.642 ( -2.008 0.000 2.106) 2.910 2.736 ( 3.238 0.000 3.986) 5.136 2.786 ( -0.431 0.000 0.390) 0.581 2.791 ( -0.803 0.000 6.931) 6.978 2.945 ( -6.687 0.000 -9.810) 11.873 3.229 ( -4.420 0.000 10.936) 11.795 3.348 ( 13.666 0.000 -0.743) 13.686 3.483 ( -2.514 0.000 -3.829) 4.581 3.558 ( -2.950 0.000 -1.877) 3.497 3.582 ( -10.821 0.000 16.072) 19.376 3.745 ( 0.902 0.000 7.024) 7.082 3.927 ( 0.229 0.000 -3.718) 3.725 4.193 ( 2.214 0.000 14.018) 14.192 4.426 ( 0.498 0.000 6.297) 6.316 4.512 ( 3.395 0.000 -0.803) 3.489 4.765 ( -8.525 0.000 -9.945) 13.099 4.803 ( 1.178 0.000 -12.432) 12.488 4.809 ( -8.976 0.000 -3.251) 9.546 4.831 ( -4.686 0.000 14.435) 15.177 5.149 ( -8.457 0.000 7.314) 11.181 5.307 ( 11.976 0.000 3.367) 12.440 5.367 ( 0.643 0.000 12.165) 12.182 5.575 ( -2.178 0.000 -1.074) 2.429 5.677 ( 5.714 0.000 -3.083) 6.493 5.753 ( 5.767 0.000 1.536) 5.968 5.758 ( 4.735 0.000 3.375) 5.815 5.857 ( -6.943 0.000 -4.075) 8.051 6.007 ( -10.384 0.000 12.080) 15.930 6.041 ( 0.123 0.000 12.259) 12.259 6.174 ( -4.448 0.000 -14.694) 15.353 6.361 ( -2.208 0.000 4.813) 5.295 6.624 ( 6.923 0.000 5.182) 8.648 6.644 ( 2.142 0.000 -3.235) 3.880 6.934 ( -6.206 0.000 3.849) 7.302 7.007 ( 6.983 0.000 -1.959) 7.253 7.056 ( 2.064 0.000 -11.563) 11.746 7.243 ( 6.378 0.000 1.860) 6.644 7.364 ( 10.064 0.000 -0.074) 10.064 7.708 ( -7.170 0.000 1.315) 7.290 7.717 ( -7.130 0.000 -6.421) 9.595 7.817 ( 0.851 0.000 13.481) 13.508 8.057 ( 10.917 0.000 -4.615) 11.852 8.069 ( 13.635 0.000 5.313) 14.634 8.181 ( 5.955 0.000 -6.394) 8.738 8.337 ( -5.961 0.000 2.798) 6.585 8.649 ( -6.052 0.000 -6.226) 8.683 8.693 ( 4.118 0.000 -7.366) 8.439 8.864 ( 7.417 0.000 -7.672) 10.671 9.122 ( 0.619 0.000 2.863) 2.929 9.212 ( -0.179 0.000 -3.226) 3.231 9.316 ( -11.335 0.000 -2.562) 11.621 9.405 ( -1.372 0.000 -1.060) 1.734 9.420 ( -4.728 0.000 -8.209) 9.473 9.464 ( -6.722 0.000 -0.004) 6.722 10.162 ( 1.569 0.000 -2.124) 2.641 10.290 ( 7.988 0.000 3.490) 8.718 10.437 ( 1.109 0.000 9.205) 9.271 10.473 ( -1.890 0.000 0.015) 1.890 11.088 ( -4.184 0.000 -3.764) 5.628 11.098 ( 1.655 0.000 2.888) 3.328 11.324 ( -8.184 0.000 -2.806) 8.652 11.547 ( 6.768 0.000 1.604) 6.956 11.834 ( -3.481 0.000 -0.026) 3.482 12.046 ( 7.970 0.000 0.194) 7.972 12.317 ( -7.830 0.000 -2.400) 8.190 12.449 ( 3.631 0.000 3.972) 5.382 12.908 ( 2.562 0.000 3.694) 4.496 12.910 ( -4.451 0.000 -4.388) 6.250 13.349 ( -0.283 0.000 6.372) 6.378 13.423 ( -1.821 0.000 -1.475) 2.343 13.656 ( 1.002 0.000 -3.950) 4.075 13.701 ( 6.193 0.000 1.953) 6.494 13.815 ( 1.402 0.000 -1.906) 2.366 13.823 ( 1.946 0.000 -1.791) 2.645 14.221 ( -7.002 0.000 -1.410) 7.143 14.322 ( -4.342 0.000 -2.340) 4.932 14.736 ( -0.895 0.000 -1.487) 1.736 14.754 ( 3.098 0.000 6.788) 7.462 15.080 ( -2.660 0.000 7.649) 8.098 15.392 ( 1.730 0.000 -10.497) 10.639 15.773 ( 5.112 0.000 12.252) 13.276 15.834 ( -8.341 0.000 -8.957) 12.239 16.066 ( 1.703 0.000 7.021) 7.224 16.202 ( -4.913 0.000 -12.767) 13.679 16.387 ( -0.488 0.000 7.584) 7.600 16.583 ( 2.862 0.000 1.247) 3.122 16.985 ( -2.226 0.000 14.296) 14.468 17.126 ( -4.262 0.000 2.079) 4.742 17.155 ( 6.632 0.000 24.002) 24.901 17.274 ( -3.873 0.000 -11.346) 11.989 17.382 ( -5.475 0.000 -10.193) 11.570 17.894 ( 10.691 0.000 -15.318) 18.680 18.145 ( -9.204 0.000 0.825) 9.241 18.179 ( 3.643 0.000 2.171) 4.241 18.181 ( -0.806 0.000 7.269) 7.313 18.590 ( -0.656 0.000 -1.112) 1.291 18.636 ( 0.109 0.000 -5.282) 5.283 18.748 ( -3.117 0.000 5.213) 6.074 18.767 ( 6.744 0.000 -3.967) 7.824 18.928 ( -2.819 0.000 -5.871) 6.512 18.956 ( -1.557 0.000 -1.660) 2.276 19.052 ( 4.917 0.000 -4.784) 6.860 19.223 ( -5.940 0.000 0.303) 5.948 19.257 ( -3.028 0.000 2.586) 3.982 19.371 ( -2.183 0.000 1.963) 2.936 19.458 ( 2.075 0.000 3.606) 4.160 19.483 ( 0.546 0.000 1.303) 1.413 19.633 ( 6.166 0.000 4.736) 7.775 19.731 ( -0.001 0.000 -17.884) 17.884 19.946 ( 8.593 0.000 -2.553) 8.964 20.319 ( -9.253 0.000 -5.797) 10.919 20.378 ( 2.461 0.000 5.369) 5.906 20.395 ( -0.702 0.000 5.960) 6.002 20.530 ( 1.634 0.000 -1.970) 2.560 20.630 ( -3.835 0.000 -7.076) 8.049 20.773 ( 5.305 0.000 -5.834) 7.886 21.035 ( -10.285 0.000 2.677) 10.628 21.747 ( 20.399 0.000 -7.968) 21.900 22.368 ( -0.119 0.000 1.984) 1.988 22.399 ( -0.323 0.000 -1.063) 1.112 22.556 ( -0.801 0.000 -2.597) 2.718 22.564 ( 0.234 0.000 -0.462) 0.518 22.866 ( -0.201 0.000 0.037) 0.205 22.890 ( 0.021 0.000 -0.962) 0.963 23.084 ( -0.216 0.000 0.643) 0.678 23.122 ( 0.421 0.000 -2.102) 2.143 23.999 ( -8.071 0.000 1.871) 8.285 24.196 ( -0.220 0.000 -2.370) 2.380 24.351 ( 15.838 0.000 18.175) 24.107 24.382 ( -2.190 0.000 -9.124) 9.383 25.569 ( -19.331 0.000 15.359) 24.689 25.736 ( -0.680 0.000 -3.497) 3.563 25.811 ( -3.217 0.000 -10.294) 10.785 26.053 ( 2.066 0.000 21.782) 21.879 26.061 ( 1.103 0.000 1.111) 1.566 26.668 ( 10.620 0.000 -15.339) 18.657 26.821 ( -17.918 0.000 2.567) 18.101 27.234 ( -9.374 0.000 9.902) 13.635 27.454 ( 2.361 0.000 -1.156) 2.629 27.851 ( 7.536 0.000 -20.421) 21.767 28.163 ( -0.854 0.000 10.515) 10.549 28.269 ( -1.191 0.000 -2.844) 3.084 28.521 ( -4.779 0.000 9.236) 10.399 28.692 ( -0.453 0.000 6.115) 6.132 28.976 ( 3.765 0.000 -11.950) 12.529 29.100 ( 6.609 0.000 -14.311) 15.763 29.157 ( 0.416 0.000 0.201) 0.462 29.201 ( 2.213 0.000 -2.411) 3.273 29.413 ( -4.148 0.000 2.060) 4.631 29.588 ( 3.270 0.000 -1.157) 3.468 30.139 ( -2.343 0.000 5.962) 6.406 30.370 ( -4.542 0.000 -7.415) 8.696 31.239 ( -6.927 0.000 -6.381) 9.418 31.250 ( 13.377 0.000 17.332) 21.894 31.630 ( 7.395 0.000 11.021) 13.272 31.732 ( -1.999 0.000 -8.133) 8.375 32.036 ( 6.859 0.000 14.694) 16.216 32.141 ( -14.515 0.000 -22.279) 26.590 32.565 ( -3.507 0.000 -1.625) 3.865 32.671 ( 3.264 0.000 -0.177) 3.269 32.851 ( -5.249 0.000 -4.013) 6.607 32.940 ( 3.396 0.000 2.609) 4.283 33.689 ( -4.073 0.000 10.302) 11.077 34.039 ( -0.363 0.000 13.864) 13.869 34.180 ( 7.092 0.000 -13.237) 15.017 34.456 ( 2.260 0.000 -12.112) 12.321 37.579 ( -0.889 0.000 -1.344) 1.612 37.606 ( 2.448 0.000 0.733) 2.556 37.986 ( -4.730 0.000 3.690) 5.999 38.263 ( 4.354 0.000 -5.750) 7.212 38.918 ( -0.144 0.000 -0.421) 0.445 38.920 ( 0.459 0.000 0.282) 0.539 39.189 ( -2.484 0.000 0.417) 2.519 39.311 ( 3.315 0.000 8.038) 8.695 39.373 ( -0.879 0.000 -3.999) 4.095 39.378 ( 2.914 0.000 -3.904) 4.872 39.479 ( -4.885 0.000 -1.967) 5.266 39.564 ( 4.324 0.000 2.762) 5.131 39.649 ( -2.095 0.000 5.672) 6.047 39.719 ( -3.391 0.000 -0.793) 3.482 40.009 ( -7.257 0.000 0.882) 7.310 40.122 ( -3.943 0.000 1.733) 4.307 40.540 ( 8.618 0.000 7.135) 11.188 40.711 ( 9.281 0.000 -4.242) 10.204 41.487 ( -9.929 0.000 -2.780) 10.311 41.618 ( -11.069 0.000 -6.375) 12.774 41.708 ( 8.341 0.000 27.872) 29.093 42.001 ( -5.663 0.000 3.138) 6.475 42.138 ( 7.340 0.000 2.862) 7.878 42.264 ( -2.420 0.000 -16.230) 16.410 42.782 ( 5.791 0.000 3.617) 6.828 42.790 ( 14.913 0.000 16.646) 22.349 43.263 ( 2.950 0.000 0.418) 2.980 43.445 ( 4.634 0.000 -11.865) 12.737 43.966 ( -4.102 0.000 10.323) 11.109 44.088 ( -9.968 0.000 6.789) 12.060 44.370 ( 1.813 0.000 -14.830) 14.940 44.481 ( 5.562 0.000 1.048) 5.660 ======================= Grid point 96 (46/80) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 13.624 0.000 21.883) 25.777 1.184 ( 14.107 0.000 48.349) 50.365 1.588 ( 17.859 0.000 41.127) 44.838 1.833 ( 19.562 0.000 -16.503) 25.593 1.929 ( 7.789 0.000 15.659) 17.489 2.076 ( 14.055 0.000 -14.135) 19.934 2.684 ( 4.229 0.000 3.836) 5.709 2.732 ( -2.213 0.000 -11.744) 11.950 2.786 ( 1.442 0.000 -1.384) 1.998 2.826 ( 1.413 0.000 8.337) 8.456 2.899 ( 0.778 0.000 0.691) 1.041 3.252 ( -1.378 0.000 11.909) 11.989 3.362 ( -6.283 0.000 -2.387) 6.721 3.486 ( 0.015 0.000 -2.755) 2.755 3.574 ( -4.353 0.000 14.466) 15.107 3.639 ( 11.669 0.000 2.322) 11.897 3.776 ( -4.137 0.000 4.103) 5.826 3.906 ( -0.817 0.000 1.213) 1.463 4.295 ( -2.175 0.000 5.093) 5.538 4.474 ( -5.662 0.000 13.623) 14.753 4.504 ( -3.645 0.000 -17.020) 17.406 4.623 ( 9.874 0.000 -1.755) 10.029 4.699 ( -1.604 0.000 1.277) 2.050 4.719 ( -4.243 0.000 -4.075) 5.883 4.889 ( -5.055 0.000 17.169) 17.898 5.018 ( -9.797 0.000 2.321) 10.068 5.408 ( -6.627 0.000 5.422) 8.562 5.463 ( -4.961 0.000 -8.302) 9.671 5.507 ( -4.318 0.000 -3.215) 5.384 5.551 ( 2.430 0.000 -4.194) 4.847 5.760 ( -4.364 0.000 -19.334) 19.821 5.779 ( -0.545 0.000 -6.338) 6.362 5.862 ( 3.987 0.000 -3.134) 5.072 5.876 ( -5.479 0.000 -7.541) 9.321 5.912 ( -3.688 0.000 11.101) 11.697 6.282 ( 6.918 0.000 11.260) 13.215 6.395 ( 2.221 0.000 5.622) 6.044 6.627 ( -4.713 0.000 -8.604) 9.810 6.637 ( -0.704 0.000 -1.934) 2.058 6.901 ( -2.769 0.000 9.341) 9.743 6.975 ( 4.558 0.000 -13.380) 14.135 7.089 ( 1.313 0.000 2.478) 2.805 7.465 ( 2.579 0.000 -6.371) 6.873 7.505 ( 14.954 0.000 4.417) 15.593 7.685 ( 1.338 0.000 6.806) 6.936 7.718 ( 2.139 0.000 10.558) 10.773 7.878 ( -6.521 0.000 8.069) 10.375 8.063 ( -9.794 0.000 -6.926) 11.996 8.118 ( 2.059 0.000 -4.770) 5.196 8.308 ( 12.751 0.000 -10.653) 16.616 8.499 ( 7.743 0.000 7.523) 10.795 8.587 ( 9.829 0.000 3.532) 10.444 8.698 ( 4.763 0.000 -8.970) 10.157 8.892 ( -2.316 0.000 -1.731) 2.891 9.101 ( -5.256 0.000 2.997) 6.051 9.145 ( -4.865 0.000 -1.749) 5.170 9.163 ( 1.316 0.000 4.541) 4.728 9.289 ( -0.876 0.000 -5.338) 5.409 9.358 ( -2.200 0.000 -0.150) 2.205 9.410 ( 0.524 0.000 -1.519) 1.606 10.194 ( 1.649 0.000 -1.540) 2.256 10.295 ( -11.420 0.000 -16.696) 20.228 10.363 ( -1.446 0.000 0.723) 1.617 10.497 ( -1.265 0.000 2.799) 3.072 11.064 ( 2.901 0.000 2.438) 3.789 11.136 ( -2.277 0.000 0.767) 2.402 11.222 ( 1.288 0.000 1.918) 2.311 11.535 ( -4.339 0.000 -5.509) 7.012 11.873 ( 4.348 0.000 3.429) 5.537 12.142 ( 3.559 0.000 -2.035) 4.100 12.189 ( -4.711 0.000 -0.770) 4.774 12.492 ( -2.650 0.000 -0.331) 2.670 12.840 ( 0.859 0.000 0.128) 0.869 12.971 ( 0.834 0.000 3.522) 3.619 13.379 ( -2.580 0.000 5.844) 6.388 13.423 ( 1.937 0.000 1.691) 2.571 13.651 ( 3.012 0.000 -6.368) 7.045 13.786 ( 0.230 0.000 -0.614) 0.656 13.825 ( 1.276 0.000 -4.029) 4.226 13.829 ( 3.793 0.000 -2.189) 4.380 14.103 ( -5.377 0.000 -0.158) 5.380 14.200 ( -5.903 0.000 -2.172) 6.290 14.784 ( 5.458 0.000 2.882) 6.173 14.867 ( 1.961 0.000 8.972) 9.184 15.114 ( -1.363 0.000 7.779) 7.898 15.338 ( 2.169 0.000 -6.844) 7.179 15.625 ( -6.310 0.000 -7.536) 9.829 15.870 ( -4.844 0.000 -7.489) 8.919 16.024 ( -3.009 0.000 0.840) 3.124 16.170 ( -0.045 0.000 8.318) 8.318 16.397 ( -0.679 0.000 -0.482) 0.833 16.466 ( -8.307 0.000 -4.083) 9.256 16.885 ( -10.080 0.000 -8.808) 13.386 17.143 ( -0.454 0.000 2.167) 2.214 17.219 ( 0.714 0.000 0.404) 0.821 17.308 ( 6.517 0.000 -0.020) 6.517 17.521 ( 4.011 0.000 29.238) 29.512 18.040 ( 15.794 0.000 -7.776) 17.604 18.050 ( -3.494 0.000 4.669) 5.832 18.239 ( 0.989 0.000 6.811) 6.882 18.248 ( 3.026 0.000 0.653) 3.095 18.533 ( -4.060 0.000 -8.661) 9.566 18.571 ( -1.424 0.000 0.270) 1.450 18.733 ( -2.789 0.000 -3.012) 4.105 18.748 ( -2.227 0.000 3.065) 3.789 18.937 ( -0.137 0.000 2.560) 2.564 18.960 ( 4.459 0.000 2.111) 4.934 19.134 ( -3.686 0.000 0.154) 3.689 19.165 ( 6.640 0.000 -1.273) 6.761 19.218 ( -1.631 0.000 3.278) 3.661 19.391 ( 0.324 0.000 5.172) 5.182 19.475 ( -1.254 0.000 0.007) 1.254 19.503 ( -0.114 0.000 2.797) 2.800 19.613 ( 6.870 0.000 -21.549) 22.618 19.809 ( 7.948 0.000 3.710) 8.771 20.084 ( 7.672 0.000 1.459) 7.810 20.123 ( -6.661 0.000 -3.815) 7.676 20.334 ( -6.860 0.000 -3.130) 7.540 20.404 ( -5.237 0.000 -0.433) 5.255 20.543 ( 2.795 0.000 -2.948) 4.063 20.583 ( 3.638 0.000 -0.213) 3.644 20.752 ( -1.703 0.000 -5.554) 5.810 20.896 ( -5.959 0.000 0.263) 5.964 21.889 ( 8.814 0.000 -20.766) 22.559 22.379 ( -0.572 0.000 1.539) 1.641 22.395 ( 0.624 0.000 -0.315) 0.699 22.496 ( -2.807 0.000 -2.807) 3.969 22.541 ( -1.762 0.000 -1.547) 2.345 22.859 ( -0.397 0.000 -0.247) 0.468 22.877 ( -0.333 0.000 -1.170) 1.217 23.086 ( -0.211 0.000 0.821) 0.848 23.121 ( 0.981 0.000 -0.704) 1.207 23.891 ( -6.756 0.000 1.993) 7.044 24.036 ( -4.195 0.000 -9.524) 10.407 24.504 ( 11.153 0.000 5.633) 12.495 24.779 ( 15.472 0.000 16.965) 22.960 25.340 ( -15.298 0.000 10.461) 18.533 25.643 ( -15.657 0.000 -0.130) 15.658 25.691 ( 0.964 0.000 -4.320) 4.426 26.021 ( -6.033 0.000 0.002) 6.033 26.351 ( 7.568 0.000 21.468) 22.763 26.598 ( -7.733 0.000 5.115) 9.272 26.797 ( 14.516 0.000 -8.655) 16.900 27.169 ( -7.589 0.000 8.684) 11.533 27.319 ( -11.254 0.000 -12.246) 16.632 27.763 ( 1.689 0.000 -5.520) 5.772 28.255 ( -0.435 0.000 12.587) 12.595 28.263 ( 2.046 0.000 -0.411) 2.087 28.489 ( -7.836 0.000 7.281) 10.697 28.721 ( -2.432 0.000 6.176) 6.638 28.920 ( 4.812 0.000 -21.595) 22.125 29.096 ( 7.044 0.000 -7.632) 10.386 29.179 ( 1.002 0.000 1.735) 2.004 29.298 ( 7.491 0.000 -0.915) 7.547 29.361 ( -3.163 0.000 1.371) 3.448 29.606 ( 1.411 0.000 -4.185) 4.417 30.081 ( -6.703 0.000 0.168) 6.705 30.242 ( -3.568 0.000 -5.468) 6.529 31.149 ( 0.344 0.000 -1.608) 1.644 31.470 ( -11.467 0.000 -4.102) 12.179 31.627 ( -1.081 0.000 -8.750) 8.817 31.698 ( -2.960 0.000 -5.854) 6.560 31.782 ( -0.296 0.000 8.214) 8.219 32.264 ( 3.846 0.000 15.138) 15.619 32.570 ( 4.927 0.000 4.766) 6.855 32.707 ( 1.215 0.000 -0.886) 1.504 32.842 ( 3.755 0.000 1.104) 3.914 32.972 ( -1.443 0.000 -0.435) 1.507 33.694 ( -5.347 0.000 9.632) 11.017 34.139 ( -1.145 0.000 9.092) 9.164 34.193 ( 7.777 0.000 -13.235) 15.350 34.407 ( 4.407 0.000 -11.075) 11.919 37.582 ( 1.315 0.000 0.761) 1.519 37.672 ( 3.594 0.000 2.136) 4.181 37.911 ( -6.257 0.000 1.370) 6.405 38.242 ( 0.688 0.000 -8.222) 8.251 38.922 ( 0.869 0.000 -0.420) 0.965 38.927 ( 0.064 0.000 0.359) 0.364 39.210 ( 2.301 0.000 5.581) 6.037 39.254 ( -2.660 0.000 -6.182) 6.731 39.310 ( -5.030 0.000 -2.147) 5.470 39.503 ( 8.309 0.000 0.125) 8.310 39.526 ( 3.114 0.000 9.190) 9.703 39.609 ( -2.070 0.000 0.153) 2.075 39.700 ( 2.341 0.000 7.522) 7.878 39.752 ( 4.825 0.000 7.349) 8.791 39.908 ( -4.097 0.000 0.687) 4.154 40.054 ( -4.636 0.000 2.065) 5.075 40.618 ( -2.337 0.000 -4.504) 5.074 40.842 ( 10.507 0.000 -5.327) 11.780 41.203 ( -14.449 0.000 -12.661) 19.211 41.317 ( -14.853 0.000 -8.760) 17.244 41.886 ( -9.801 0.000 4.379) 10.735 42.093 ( 8.515 0.000 6.795) 10.894 42.227 ( 12.680 0.000 -3.003) 13.031 42.279 ( 6.178 0.000 0.924) 6.247 42.945 ( 3.722 0.000 9.547) 10.247 43.231 ( 10.993 0.000 2.434) 11.259 43.277 ( 4.327 0.000 6.883) 8.130 43.492 ( 10.985 0.000 -7.861) 13.507 43.764 ( -12.993 0.000 0.481) 13.002 44.276 ( 4.193 0.000 -17.108) 17.614 44.374 ( 17.100 0.000 20.210) 26.474 44.590 ( 3.297 0.000 4.656) 5.705 ======================= Grid point 97 (47/80) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.470 6.539 16.585) 17.834 1.774 ( -1.506 -1.895 5.997) 6.467 1.886 ( -13.566 -0.639 0.012) 13.581 1.982 ( 8.510 10.101 20.174) 24.113 2.256 ( 21.563 -5.653 -8.069) 23.708 2.539 ( 5.572 1.169 2.400) 6.178 2.663 ( 4.707 2.767 8.683) 10.257 2.788 ( 1.547 -2.100 1.270) 2.902 2.902 ( 2.465 3.417 -2.816) 5.068 2.969 ( 7.372 8.521 10.656) 15.508 3.093 ( 5.119 12.449 9.468) 16.457 3.204 ( -5.430 -1.715 2.654) 6.283 3.443 ( 1.774 4.139 2.868) 5.339 3.516 ( -4.951 2.014 4.431) 6.943 3.695 ( 3.597 1.630 18.022) 18.449 3.747 ( 1.072 5.687 0.053) 5.787 3.814 ( -0.647 5.751 -2.458) 6.287 3.953 ( 4.547 -6.524 4.572) 9.173 4.144 ( 0.166 -3.551 -0.540) 3.596 4.408 ( -7.229 1.844 -1.481) 7.606 4.478 ( -6.107 1.947 1.203) 6.521 4.578 ( -4.677 6.264 -5.600) 9.616 4.707 ( 4.045 -2.369 0.348) 4.700 4.823 ( 2.261 -4.677 -1.740) 5.479 4.892 ( -1.187 -0.281 1.434) 1.883 4.930 ( -2.921 5.295 10.703) 12.293 5.175 ( -10.227 4.809 -8.960) 14.422 5.285 ( -9.718 3.832 4.651) 11.435 5.395 ( -4.389 -2.713 1.329) 5.328 5.575 ( 1.228 7.307 -9.123) 11.753 5.582 ( -3.069 -1.091 -13.766) 14.146 5.683 ( 2.228 -1.929 -12.051) 12.406 5.830 ( -4.467 -1.367 -1.311) 4.852 5.891 ( 1.892 1.062 4.593) 5.080 5.903 ( 1.597 -0.703 1.909) 2.586 6.358 ( -4.241 1.741 5.617) 7.251 6.473 ( 1.278 4.369 13.331) 14.087 6.617 ( 1.695 5.419 1.959) 6.006 6.798 ( 0.654 10.293 -14.210) 17.558 6.897 ( 1.231 -5.697 3.427) 6.762 6.995 ( 0.397 -1.092 -1.205) 1.674 7.145 ( -0.554 3.271 4.231) 5.376 7.309 ( -5.240 -6.207 -1.927) 8.349 7.642 ( 0.195 -1.661 2.554) 3.053 7.698 ( -8.986 -1.261 5.008) 10.364 7.762 ( 1.232 -6.087 7.185) 9.497 7.807 ( -0.884 -5.267 -2.449) 5.875 7.910 ( -1.307 -0.849 -2.352) 2.822 8.095 ( 1.337 3.829 -1.263) 4.248 8.440 ( 3.720 3.702 -14.709) 15.618 8.502 ( 0.720 -2.723 0.581) 2.876 8.709 ( 6.151 1.377 -11.008) 12.685 8.851 ( 2.263 -1.762 2.362) 3.716 8.876 ( 3.942 -0.650 0.086) 3.996 8.961 ( -1.421 -10.746 0.045) 10.840 9.092 ( 2.042 1.044 1.833) 2.936 9.274 ( 7.932 -7.500 1.745) 11.055 9.337 ( 0.367 -2.300 -1.795) 2.940 9.423 ( 3.459 6.054 -1.211) 7.077 9.494 ( 7.508 8.139 12.720) 16.865 9.948 ( -9.799 5.861 -11.188) 15.986 10.156 ( -0.002 -1.493 -2.041) 2.529 10.229 ( -5.100 -4.683 0.108) 6.925 10.462 ( -5.273 4.691 -5.458) 8.922 11.104 ( 2.866 -2.185 2.642) 4.468 11.148 ( 0.842 -0.461 1.031) 1.408 11.285 ( 1.687 -2.142 2.304) 3.570 11.422 ( -4.411 1.667 -4.832) 6.752 11.937 ( 1.120 -1.373 3.150) 3.614 12.063 ( 1.440 -7.208 -0.470) 7.365 12.153 ( 2.260 -3.935 -0.574) 4.574 12.291 ( -7.053 -6.252 -5.911) 11.125 12.938 ( 4.217 -0.120 4.404) 6.098 12.995 ( -1.116 0.439 2.290) 2.585 13.242 ( -4.110 -8.261 4.853) 10.425 13.381 ( 4.022 -9.797 0.133) 10.591 13.666 ( 3.236 1.022 -1.588) 3.747 13.751 ( -1.981 0.171 -2.621) 3.289 13.802 ( 0.752 2.232 -2.895) 3.732 13.876 ( -3.111 1.560 -5.276) 6.321 14.153 ( -2.551 9.911 1.599) 10.358 14.293 ( 4.925 13.894 -4.881) 15.528 14.861 ( 1.187 -2.895 7.385) 8.020 15.048 ( 1.305 0.824 2.058) 2.572 15.156 ( 1.201 -8.601 0.300) 8.690 15.256 ( 0.010 1.779 5.346) 5.634 15.456 ( -3.971 0.125 -7.268) 8.283 15.739 ( -4.413 6.460 -8.140) 11.291 16.004 ( -3.433 -0.852 3.625) 5.065 16.172 ( 0.304 3.941 6.552) 7.652 16.373 ( -3.977 6.827 -5.466) 9.607 16.534 ( -2.535 3.248 2.880) 5.027 16.685 ( -1.406 0.062 -0.547) 1.510 17.137 ( -2.708 8.834 -3.409) 9.848 17.279 ( 6.226 -5.201 4.761) 9.407 17.452 ( -0.192 6.276 -4.333) 7.629 17.651 ( 0.986 -15.632 13.720) 20.822 18.027 ( -2.921 3.353 9.660) 10.634 18.186 ( -5.859 3.454 -1.543) 6.974 18.224 ( 6.114 -4.364 1.375) 7.637 18.298 ( 2.422 0.743 3.060) 3.973 18.543 ( -1.610 -0.557 0.166) 1.712 18.632 ( -2.514 -5.720 -0.228) 6.252 18.667 ( 1.494 -1.100 -2.019) 2.742 18.740 ( 6.382 9.156 -4.339) 11.975 18.916 ( 0.893 -11.560 1.494) 11.691 18.952 ( -2.330 -9.243 -5.742) 11.128 19.018 ( 0.548 -1.911 0.130) 1.993 19.195 ( 1.542 3.621 -0.384) 3.954 19.303 ( 2.595 -2.768 -0.091) 3.795 19.389 ( 0.674 -1.425 -0.771) 1.755 19.466 ( 0.316 1.303 -1.310) 1.875 19.551 ( 0.914 2.276 -4.507) 5.131 19.627 ( 5.699 1.681 -5.375) 8.013 19.799 ( -1.462 -5.037 1.408) 5.431 20.103 ( 8.366 -4.070 1.294) 9.393 20.123 ( -4.220 -3.102 -5.530) 7.617 20.204 ( -0.709 0.294 -2.098) 2.234 20.309 ( 2.778 0.667 3.046) 4.176 20.402 ( -0.903 -8.923 1.323) 9.065 20.590 ( -3.488 -5.772 -4.152) 7.920 20.717 ( -1.852 -6.258 -0.601) 6.554 20.869 ( 8.424 5.820 4.300) 11.106 21.557 ( -2.501 -10.344 -25.491) 27.623 22.380 ( -0.479 -0.156 0.933) 1.060 22.394 ( 0.533 -0.581 0.393) 0.881 22.448 ( 0.817 -0.822 0.725) 1.367 22.477 ( -1.298 -1.600 -0.169) 2.067 22.871 ( 0.001 1.923 -0.284) 1.944 22.891 ( 0.290 2.540 -0.980) 2.738 23.077 ( -0.090 -1.616 0.966) 1.885 23.117 ( 0.936 -1.727 -0.704) 2.087 23.914 ( -4.028 10.641 3.863) 12.016 24.094 ( -1.876 13.441 -4.947) 14.445 24.768 ( 9.137 -6.279 11.522) 15.989 25.146 ( -1.857 -6.614 -1.412) 7.013 25.313 ( -9.213 15.132 14.101) 22.643 25.459 ( 2.359 14.541 12.013) 19.009 25.748 ( -0.729 7.349 -7.492) 10.520 25.983 ( -7.039 8.512 -5.175) 12.198 26.539 ( 2.701 -9.470 6.377) 11.732 26.743 ( 4.480 10.737 9.997) 15.339 26.980 ( -4.770 1.575 4.421) 6.692 27.095 ( 0.645 4.355 3.262) 5.479 27.202 ( 1.022 6.001 -2.659) 6.643 27.708 ( 1.678 -4.848 -9.741) 11.009 28.324 ( -1.845 -2.311 9.924) 10.355 28.360 ( 0.758 0.306 2.498) 2.628 28.461 ( -6.556 8.803 -3.619) 11.557 28.681 ( -1.356 -3.273 2.641) 4.419 28.773 ( 3.894 -7.556 -8.495) 12.018 29.040 ( 7.001 -11.945 0.640) 13.860 29.179 ( 0.201 -5.275 2.119) 5.688 29.261 ( 3.442 -7.810 -6.228) 10.566 29.325 ( 1.962 -4.926 -3.641) 6.432 29.457 ( 2.731 -3.655 -6.572) 8.001 30.237 ( -6.249 21.524 -1.944) 22.497 30.304 ( 2.141 12.511 -1.282) 12.758 31.027 ( -7.216 -8.225 10.018) 14.835 31.272 ( -2.748 1.468 -0.180) 3.120 31.485 ( -4.311 0.346 -6.584) 7.878 31.558 ( -2.084 -0.155 -3.559) 4.128 32.073 ( 6.922 2.519 15.182) 16.875 32.350 ( -1.849 -3.361 8.170) 9.026 32.620 ( 3.553 -5.093 4.426) 7.625 32.759 ( -1.322 1.942 -4.889) 5.425 32.891 ( -3.359 0.157 -2.827) 4.393 32.937 ( 5.723 -2.327 -5.553) 8.307 33.689 ( -6.871 1.309 9.546) 11.834 34.034 ( -4.226 -9.288 5.903) 11.789 34.220 ( 6.829 0.836 -13.230) 14.912 34.397 ( 6.265 -2.527 -9.443) 11.611 37.629 ( 2.462 0.032 2.245) 3.332 37.735 ( -1.249 -0.068 -2.463) 2.762 37.852 ( -0.441 1.723 4.700) 5.026 38.139 ( -0.903 -1.958 -8.165) 8.445 38.984 ( -0.173 5.939 0.417) 5.956 39.006 ( 1.449 6.314 -0.574) 6.503 39.229 ( -1.485 3.801 -1.551) 4.365 39.262 ( -2.955 5.966 -2.888) 7.257 39.358 ( 4.262 1.418 5.761) 7.305 39.504 ( -0.975 -3.966 0.942) 4.191 39.561 ( -1.831 -0.943 2.124) 2.959 39.640 ( 3.272 -0.894 -1.092) 3.564 39.802 ( 0.460 -3.863 4.115) 5.662 39.865 ( 3.693 -0.877 4.291) 5.729 39.961 ( 3.226 -0.634 6.780) 7.535 40.143 ( 3.499 6.993 8.858) 11.815 40.374 ( -7.053 -8.211 -7.341) 13.079 40.657 ( -12.618 -8.729 -11.437) 19.137 40.952 ( 5.626 -4.685 -2.042) 7.600 41.074 ( -11.893 3.004 -9.170) 15.315 41.703 ( -2.280 -3.960 1.955) 4.970 41.958 ( 0.135 -10.634 -6.900) 12.677 42.389 ( 3.795 -4.259 -0.025) 5.705 42.532 ( 4.965 2.783 -4.563) 7.295 42.893 ( -3.941 -3.860 12.842) 13.977 43.199 ( -8.458 -0.844 9.876) 13.030 43.499 ( 7.537 -3.604 -6.678) 10.696 43.603 ( -2.653 4.008 1.939) 5.183 43.702 ( 3.447 6.951 1.327) 7.871 44.134 ( 0.705 -4.150 -4.254) 5.984 44.679 ( 6.096 2.019 3.631) 7.377 44.816 ( 7.214 5.092 -3.491) 9.496 ======================= Grid point 98 (48/80) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -21.100 3.184 15.168) 26.180 1.550 ( -10.845 -4.240 -13.281) 17.663 1.841 ( 6.137 -2.733 -3.271) 7.471 2.159 ( -0.337 3.302 2.242) 4.006 2.495 ( 3.264 -2.372 4.989) 6.416 2.665 ( 9.197 -6.085 2.754) 11.366 2.678 ( -6.969 -1.939 2.405) 7.623 2.777 ( -5.848 -7.340 -2.248) 9.650 2.951 ( 4.036 1.736 -0.255) 4.401 3.092 ( -1.340 0.926 -2.851) 3.284 3.209 ( 3.966 2.812 2.051) 5.277 3.236 ( -2.703 7.367 9.391) 12.238 3.376 ( -6.222 2.837 5.250) 8.621 3.507 ( 0.731 -3.422 4.946) 6.058 3.704 ( -4.907 5.903 -5.902) 9.682 3.836 ( -0.257 -3.002 -5.779) 6.518 3.882 ( -0.060 0.685 0.368) 0.780 4.090 ( 0.344 16.229 6.999) 17.678 4.107 ( 6.705 -8.928 -2.350) 11.410 4.320 ( 3.884 2.355 3.205) 5.559 4.349 ( -6.754 9.672 -5.679) 13.093 4.587 ( 3.384 8.989 8.164) 12.606 4.665 ( -6.662 7.979 -8.624) 13.506 4.836 ( 0.273 -1.250 0.730) 1.473 4.916 ( 1.667 0.975 4.611) 4.999 4.980 ( 5.200 5.308 -3.464) 8.199 5.012 ( -2.598 -0.994 9.532) 9.930 5.199 ( -6.977 2.676 5.968) 9.563 5.346 ( -2.239 -0.023 2.179) 3.124 5.434 ( 0.679 1.284 -4.249) 4.490 5.608 ( 3.644 3.927 -2.251) 5.811 5.673 ( 2.182 4.728 -6.449) 8.289 5.741 ( -5.314 -2.641 6.945) 9.134 5.914 ( -0.556 5.130 3.993) 6.525 5.981 ( 2.483 -5.348 1.425) 6.066 6.269 ( -11.478 1.816 7.082) 13.608 6.523 ( -5.318 3.156 -2.490) 6.666 6.660 ( 0.838 7.572 8.709) 11.571 6.695 ( -0.280 8.046 -7.994) 11.345 6.927 ( 2.884 -1.686 -7.231) 7.965 7.032 ( -1.593 -8.965 5.269) 10.520 7.191 ( -1.785 -8.197 -4.640) 9.586 7.241 ( -1.699 0.294 17.499) 17.584 7.504 ( -11.734 -1.065 -1.516) 11.880 7.584 ( -6.902 -6.782 2.967) 10.121 7.754 ( 0.441 2.935 -1.779) 3.460 7.806 ( 1.100 -2.799 3.155) 4.359 7.997 ( 1.535 4.219 0.057) 4.490 8.106 ( 4.371 -9.337 -1.012) 10.359 8.374 ( 0.094 1.654 -8.277) 8.441 8.524 ( 0.238 1.153 1.005) 1.549 8.693 ( 2.729 3.858 -10.602) 11.608 8.798 ( 2.825 -6.017 -9.729) 11.783 8.978 ( 2.212 -5.364 3.991) 7.042 8.993 ( 1.016 -9.978 -0.042) 10.029 9.104 ( 0.888 4.572 -2.330) 5.208 9.250 ( -3.320 -5.114 -4.667) 7.679 9.439 ( 4.406 2.276 -6.476) 8.157 9.478 ( -0.360 0.598 -1.903) 2.027 9.610 ( 8.182 1.930 3.323) 9.039 9.915 ( 1.181 8.485 9.828) 13.037 10.101 ( -0.610 5.917 -7.630) 9.675 10.241 ( 2.004 1.333 9.818) 10.109 10.320 ( -2.282 2.839 -4.271) 5.613 11.098 ( -2.700 -0.521 -0.219) 2.758 11.194 ( 0.869 -1.984 -1.209) 2.481 11.278 ( -2.932 0.579 0.335) 3.008 11.396 ( 3.625 -2.130 1.276) 4.394 11.952 ( -1.329 -1.888 2.334) 3.283 12.064 ( -2.995 -2.799 -5.025) 6.485 12.147 ( -0.780 -5.911 -2.010) 6.292 12.239 ( 5.345 -8.232 3.862) 10.548 12.959 ( -3.537 0.007 -0.501) 3.572 13.030 ( 1.861 -2.048 2.604) 3.800 13.209 ( -3.643 -3.585 3.425) 6.152 13.440 ( 3.379 -10.469 -1.908) 11.165 13.693 ( 0.420 0.458 -1.079) 1.245 13.702 ( -3.918 1.784 -0.257) 4.313 13.774 ( 0.746 1.676 -4.300) 4.675 13.811 ( 0.830 1.372 -0.068) 1.605 14.173 ( 3.611 6.996 0.913) 7.926 14.365 ( 7.949 13.670 -4.774) 16.518 14.871 ( -7.811 -4.057 1.874) 8.999 15.038 ( -0.640 -4.192 -1.824) 4.617 15.157 ( -1.085 -9.417 4.273) 10.397 15.340 ( 6.416 -5.461 0.312) 8.431 15.410 ( -3.426 11.268 4.562) 12.630 15.606 ( -0.157 7.281 -6.740) 9.923 16.063 ( 1.154 10.307 10.901) 15.046 16.192 ( -1.911 5.870 2.280) 6.581 16.310 ( 0.401 2.743 0.892) 2.912 16.496 ( 1.406 -10.765 -6.038) 12.423 16.745 ( -1.049 8.676 13.140) 15.781 17.065 ( -1.281 13.761 -9.572) 16.811 17.327 ( -0.741 -2.165 -1.108) 2.543 17.405 ( -0.120 -3.633 -4.912) 6.111 17.794 ( -1.667 -9.003 17.137) 19.429 17.920 ( -6.858 -3.055 0.518) 7.526 18.134 ( -3.454 5.646 1.290) 6.743 18.335 ( 1.631 0.060 -1.003) 1.915 18.385 ( 2.750 1.084 5.038) 5.841 18.541 ( 1.343 -6.987 4.268) 8.297 18.587 ( -2.281 -6.000 -0.815) 6.470 18.697 ( 4.046 -1.600 0.205) 4.356 18.770 ( 2.813 5.941 -9.751) 11.760 18.904 ( 6.442 -14.750 -7.246) 17.651 18.966 ( 1.138 -10.601 1.431) 10.758 19.048 ( 3.038 -4.621 -1.141) 5.646 19.205 ( -0.136 2.422 -1.741) 2.986 19.284 ( -6.020 -0.025 -3.767) 7.102 19.308 ( 0.068 -2.608 -3.327) 4.228 19.509 ( 0.853 3.268 -2.356) 4.118 19.523 ( 2.024 -2.061 1.307) 3.170 19.723 ( 8.007 -2.124 -2.406) 8.626 19.864 ( 5.303 -1.233 1.636) 5.685 19.936 ( -11.483 -0.946 -1.092) 11.573 20.094 ( 2.672 -3.479 -7.418) 8.618 20.326 ( -3.322 -0.640 -2.481) 4.195 20.375 ( 4.120 -1.929 1.069) 4.673 20.390 ( 4.048 0.073 0.015) 4.049 20.575 ( 1.476 -11.130 5.883) 12.676 20.690 ( 1.531 -8.193 -2.003) 8.572 21.048 ( 5.859 6.467 2.890) 9.193 21.280 ( -1.283 2.668 -21.767) 21.968 22.376 ( -1.038 -0.257 0.513) 1.186 22.409 ( 0.899 -0.479 0.326) 1.069 22.435 ( -1.366 -0.350 0.209) 1.426 22.494 ( 1.857 -1.212 0.415) 2.256 22.870 ( 0.155 1.906 -0.197) 1.923 22.895 ( 0.975 2.489 -0.857) 2.808 23.081 ( -0.360 -1.681 0.785) 1.890 23.123 ( 0.781 -1.723 -1.294) 2.292 23.902 ( -2.270 13.778 6.164) 15.263 24.064 ( 1.520 11.256 -1.467) 11.453 24.811 ( -18.533 1.607 -0.518) 18.610 25.062 ( 7.100 -9.909 7.380) 14.250 25.396 ( 0.305 7.374 8.917) 11.575 25.519 ( -8.582 6.603 2.172) 11.044 25.798 ( 2.207 9.252 -3.164) 10.024 25.863 ( 6.322 13.095 2.454) 14.746 26.615 ( -1.843 -8.775 3.519) 9.632 26.803 ( 5.702 4.477 0.858) 7.301 27.057 ( -5.050 -1.238 11.105) 12.262 27.145 ( 4.348 8.609 7.559) 12.255 27.222 ( 3.594 7.943 -5.343) 10.226 27.616 ( 1.418 -4.874 -14.289) 15.164 28.282 ( -8.413 4.834 0.903) 9.745 28.371 ( -0.212 -3.928 4.077) 5.665 28.410 ( 1.200 1.097 0.397) 1.673 28.673 ( -5.897 -1.694 7.679) 9.829 28.858 ( 13.852 -5.665 -9.293) 17.616 29.147 ( 2.820 -13.233 2.532) 13.765 29.204 ( 0.750 -7.173 1.114) 7.297 29.235 ( 1.676 -6.147 -7.959) 10.195 29.333 ( 2.067 -4.022 -2.445) 5.141 29.416 ( 0.952 -1.939 -10.047) 10.277 30.136 ( -4.232 18.886 1.356) 19.402 30.383 ( 8.132 16.584 -0.968) 18.496 31.031 ( -4.894 -4.733 15.706) 17.118 31.175 ( -9.056 -1.737 -7.300) 11.761 31.370 ( 0.496 6.086 1.876) 6.388 31.611 ( 6.303 -0.576 0.319) 6.337 32.258 ( -10.107 -1.576 -1.829) 10.391 32.299 ( 1.703 -0.277 15.187) 15.284 32.662 ( -1.100 -2.468 -0.553) 2.758 32.712 ( 0.193 -3.163 -2.747) 4.194 32.788 ( -3.790 0.026 -1.289) 4.004 33.025 ( 8.131 -6.382 -5.852) 11.878 33.652 ( -7.056 1.588 10.193) 12.498 33.997 ( -5.303 -6.914 4.852) 9.974 34.225 ( 6.991 0.735 -13.173) 14.931 34.435 ( 6.853 -4.294 -8.111) 11.454 37.668 ( -2.562 0.315 -2.463) 3.568 37.696 ( 2.359 -0.470 1.887) 3.057 37.915 ( 1.177 1.086 5.467) 5.697 38.058 ( -0.104 -0.771 -6.675) 6.720 38.975 ( -0.799 6.414 -0.006) 6.464 39.035 ( 2.330 5.860 -1.362) 6.452 39.157 ( -3.493 4.392 -0.098) 5.612 39.265 ( 2.520 6.911 1.054) 7.431 39.440 ( -3.452 -3.022 -1.826) 4.938 39.491 ( 2.512 -1.304 1.553) 3.228 39.544 ( 0.909 0.701 1.618) 1.984 39.714 ( 4.607 -3.070 -0.531) 5.562 39.845 ( -0.290 -2.578 2.979) 3.950 39.860 ( -1.108 -1.095 -1.587) 2.223 40.096 ( -9.784 -2.243 -4.764) 11.111 40.128 ( 1.515 -4.478 9.410) 10.531 40.386 ( 0.062 -3.460 1.148) 3.646 40.444 ( 4.447 -1.378 2.558) 5.312 40.811 ( -9.608 5.958 -4.758) 12.266 41.046 ( 3.928 -11.330 4.878) 12.946 41.694 ( 0.444 -0.981 -0.022) 1.077 41.910 ( -1.111 -10.547 -1.396) 10.697 42.449 ( 1.911 -0.630 2.717) 3.381 42.513 ( 1.634 -5.378 -11.535) 12.831 42.860 ( -10.974 -1.981 8.591) 14.077 43.100 ( -13.329 0.704 11.551) 17.652 43.385 ( -9.498 5.013 -1.750) 10.882 43.693 ( 6.117 3.276 1.877) 7.188 43.782 ( 5.352 1.725 -5.592) 7.930 44.099 ( 1.392 -1.564 -6.107) 6.456 44.758 ( 2.191 2.779 -1.513) 3.849 44.805 ( -2.478 6.487 -5.975) 9.161 ======================= Grid point 99 (49/80) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -10.666 1.403 -7.504) 13.117 1.342 ( 2.074 -5.910 -12.627) 14.095 1.876 ( -1.277 -2.816 -1.872) 3.614 2.110 ( -2.859 0.119 -4.727) 5.525 2.279 ( -20.575 0.182 -22.717) 30.650 2.580 ( -3.354 -3.231 1.123) 4.791 2.692 ( 0.213 4.513 9.844) 10.832 2.755 ( -3.209 -1.087 -10.500) 11.033 2.902 ( -7.574 -0.753 -12.814) 14.904 3.050 ( -1.138 6.261 -3.473) 7.250 3.144 ( -0.922 3.022 -8.552) 9.118 3.181 ( -8.539 2.147 8.291) 12.094 3.380 ( -8.675 8.104 -8.033) 14.333 3.448 ( -3.912 -2.821 12.999) 13.865 3.615 ( -2.880 -1.809 0.989) 3.542 3.706 ( 1.923 0.745 -5.342) 5.726 3.871 ( -6.497 9.086 -3.374) 11.669 4.085 ( 11.175 11.577 -1.776) 16.189 4.166 ( -6.157 9.352 -8.245) 13.905 4.313 ( 0.202 -7.228 0.920) 7.289 4.495 ( 1.816 8.594 11.665) 14.602 4.514 ( -0.498 -0.337 4.522) 4.562 4.722 ( 5.350 -0.082 3.440) 6.361 4.907 ( -3.671 -2.064 13.583) 14.221 4.939 ( 7.145 2.756 -1.203) 7.752 5.076 ( 2.850 2.826 8.244) 9.169 5.155 ( 0.315 0.253 3.048) 3.075 5.180 ( 2.471 -9.409 7.110) 12.049 5.398 ( -2.226 5.253 -0.333) 5.715 5.480 ( 8.616 7.777 8.654) 14.479 5.570 ( -5.105 -0.353 1.615) 5.366 5.694 ( 4.578 7.537 -1.789) 8.998 5.734 ( -3.587 4.121 8.185) 9.841 5.977 ( 1.588 -1.391 2.644) 3.383 6.071 ( 5.098 -0.467 11.344) 12.445 6.159 ( -8.663 3.173 10.364) 13.875 6.339 ( -8.380 4.663 -6.283) 11.465 6.630 ( 0.250 4.040 -8.576) 9.484 6.732 ( -0.115 5.138 3.269) 6.091 6.889 ( 0.933 -6.324 -6.619) 9.201 7.028 ( 1.048 -3.095 -0.339) 3.285 7.130 ( -0.139 -8.225 -4.656) 9.453 7.245 ( -6.208 -1.790 -0.132) 6.462 7.315 ( -10.050 3.606 3.295) 11.174 7.623 ( -0.158 -6.401 8.446) 10.599 7.800 ( 1.067 4.992 -1.026) 5.207 7.846 ( 2.184 -8.990 2.250) 9.522 8.025 ( -1.163 -2.658 14.494) 14.781 8.088 ( -2.849 -0.438 -6.010) 6.666 8.300 ( -2.373 6.026 -2.785) 7.050 8.520 ( -0.646 4.399 -2.845) 5.278 8.651 ( 4.494 0.289 -11.217) 12.087 8.812 ( 8.991 -3.857 -12.852) 16.152 8.913 ( -6.916 -3.633 -5.196) 9.382 9.031 ( 1.398 -7.828 1.828) 8.159 9.071 ( -4.069 -3.251 -5.458) 7.545 9.238 ( 6.994 -1.880 4.470) 8.511 9.391 ( 2.370 2.725 -4.910) 6.095 9.545 ( 2.306 3.207 -2.744) 4.810 9.646 ( 1.111 -0.637 -8.172) 8.272 10.015 ( 2.562 2.031 7.853) 8.507 10.087 ( 2.216 2.041 0.119) 3.015 10.300 ( 0.054 -3.107 1.269) 3.357 10.395 ( 1.149 4.823 10.186) 11.329 11.052 ( -1.217 -0.120 -0.931) 1.537 11.196 ( 2.537 0.634 1.397) 2.965 11.262 ( -0.387 1.421 0.363) 1.517 11.461 ( 0.996 -3.257 1.325) 3.654 11.906 ( -2.391 -3.112 -4.276) 5.804 11.976 ( -2.923 -0.194 1.193) 3.163 12.194 ( 4.294 -5.168 0.891) 6.778 12.352 ( 2.408 -11.009 4.425) 12.107 12.883 ( -2.785 0.996 -2.291) 3.742 13.058 ( 0.340 -0.953 -0.494) 1.126 13.181 ( -2.876 -3.743 3.447) 5.845 13.443 ( -0.420 -9.681 -3.731) 10.384 13.604 ( -2.405 0.658 -3.021) 3.917 13.699 ( -0.046 -1.007 -0.526) 1.137 13.798 ( 0.688 4.775 2.043) 5.239 13.846 ( 2.925 1.491 0.301) 3.297 14.272 ( 6.034 3.742 1.505) 7.258 14.447 ( 5.675 11.986 -5.362) 14.304 14.723 ( -7.294 -0.870 1.023) 7.417 15.019 ( -1.038 -3.654 0.609) 3.847 15.209 ( 2.875 -8.602 1.073) 9.133 15.263 ( -9.376 12.144 -5.234) 16.210 15.464 ( 4.406 -6.486 5.925) 9.828 15.707 ( 6.223 6.479 9.323) 12.947 16.087 ( -0.661 7.231 0.308) 7.267 16.286 ( -1.885 -11.617 2.157) 11.965 16.354 ( 6.559 17.395 7.298) 19.972 16.504 ( 2.208 -4.927 7.234) 9.027 16.819 ( -8.641 13.192 -6.867) 17.200 16.906 ( 1.739 5.400 5.731) 8.064 17.286 ( -3.850 -7.942 -9.170) 12.728 17.423 ( 5.738 0.725 5.223) 7.793 17.748 ( -4.777 4.227 -5.017) 8.115 17.978 ( -0.701 -5.772 16.475) 17.471 18.081 ( -2.646 6.526 -1.711) 7.247 18.262 ( -4.684 -1.625 -7.547) 9.030 18.393 ( -3.320 3.879 -0.245) 5.111 18.569 ( 0.392 -4.622 2.475) 5.258 18.610 ( 1.565 -5.770 1.666) 6.206 18.727 ( -0.047 2.420 -4.416) 5.035 18.806 ( 4.284 -8.680 0.706) 9.705 18.932 ( -6.505 -2.858 0.700) 7.140 18.960 ( 7.429 -14.463 -13.469) 21.113 19.099 ( 6.813 -4.173 -0.522) 8.006 19.170 ( 1.094 0.093 -0.753) 1.331 19.226 ( -0.455 -1.070 -0.710) 1.363 19.290 ( 1.626 1.493 -3.185) 3.875 19.462 ( -2.620 -2.024 -2.096) 3.918 19.588 ( 1.831 1.125 -1.266) 2.494 19.744 ( -5.662 -4.330 0.593) 7.152 19.809 ( 3.536 2.832 -7.018) 8.353 19.979 ( 5.780 -3.539 -4.856) 8.337 20.101 ( -1.971 -3.402 0.960) 4.047 20.222 ( 2.761 -0.398 -0.196) 2.797 20.360 ( -3.570 -3.747 2.965) 5.965 20.498 ( 5.117 -3.376 -1.743) 6.373 20.566 ( -3.452 -8.666 -4.090) 10.186 20.789 ( 3.449 -3.665 3.899) 6.367 21.073 ( 10.766 -1.491 -11.561) 15.868 21.250 ( 1.174 7.113 0.340) 7.218 22.354 ( -1.478 -0.414 0.546) 1.629 22.424 ( 0.592 0.277 -0.921) 1.130 22.435 ( 0.785 -3.757 1.373) 4.076 22.519 ( 0.675 -2.018 -0.228) 2.140 22.875 ( 0.386 1.827 0.075) 1.869 22.905 ( 0.974 2.234 -0.872) 2.588 23.077 ( -0.651 -1.585 0.420) 1.764 23.123 ( 0.804 -1.559 -1.772) 2.493 23.960 ( 1.447 15.247 9.834) 18.201 24.111 ( 3.753 9.700 1.564) 10.518 24.509 ( -13.864 12.240 -1.473) 18.553 25.119 ( -6.368 -0.025 -9.480) 11.420 25.392 ( -6.785 -8.449 14.735) 18.291 25.444 ( 0.352 -2.881 1.653) 3.340 25.783 ( 2.989 7.294 -1.006) 7.946 26.051 ( 3.387 10.036 5.889) 12.119 26.597 ( -1.663 4.861 -0.452) 5.157 26.878 ( 0.042 3.104 -3.309) 4.537 27.061 ( -1.586 6.833 8.433) 10.970 27.230 ( 6.664 2.927 -7.313) 10.318 27.272 ( -1.443 2.307 10.597) 10.941 27.567 ( 6.618 -3.622 -11.150) 13.462 28.187 ( -5.030 5.792 4.365) 8.826 28.391 ( -0.650 -2.450 0.998) 2.724 28.446 ( 1.745 -0.405 2.958) 3.458 28.627 ( -5.242 -1.758 5.714) 7.951 29.008 ( 10.749 -4.509 -8.903) 14.668 29.141 ( -0.739 -11.323 -3.727) 11.944 29.179 ( -1.104 -3.680 -3.897) 5.473 29.243 ( 2.363 -7.365 -7.942) 11.087 29.321 ( 0.570 -5.573 -2.883) 6.301 29.368 ( 1.847 -5.050 -3.419) 6.372 30.134 ( -0.044 15.163 6.507) 16.500 30.546 ( 12.326 16.818 -4.170) 21.265 30.951 ( -11.830 -1.383 2.069) 12.089 31.131 ( -0.670 -3.908 17.543) 17.986 31.453 ( 4.061 3.181 4.724) 6.995 31.716 ( 3.941 -2.782 -0.152) 4.826 31.999 ( -11.311 1.228 -7.657) 13.714 32.414 ( -3.052 -5.097 8.476) 10.351 32.619 ( -1.175 -0.646 0.268) 1.368 32.670 ( -0.882 -2.265 -4.685) 5.278 32.781 ( 1.256 -0.308 2.390) 2.717 33.072 ( 4.311 -6.407 -8.962) 11.830 33.640 ( -5.347 2.240 12.113) 13.429 33.946 ( -5.357 -4.521 4.846) 8.522 34.228 ( 6.549 1.688 -12.719) 14.405 34.476 ( 5.903 -4.468 -8.143) 11.005 37.618 ( -0.899 1.643 -1.833) 2.620 37.711 ( -1.207 0.380 -1.762) 2.169 37.965 ( -0.574 -1.008 5.038) 5.170 38.059 ( 4.827 -1.606 -2.064) 5.490 38.966 ( -0.241 6.433 0.175) 6.440 39.032 ( -0.280 6.349 -2.806) 6.947 39.153 ( 1.028 3.885 3.480) 5.316 39.313 ( -1.256 3.304 1.374) 3.792 39.374 ( -0.637 3.771 -0.505) 3.858 39.472 ( 1.230 1.956 -3.306) 4.033 39.628 ( 2.994 -0.139 -0.748) 3.089 39.740 ( -1.107 -0.654 -2.926) 3.196 39.802 ( -6.358 -2.922 -3.480) 7.815 39.843 ( 0.642 -2.696 -0.671) 2.852 39.937 ( -1.550 0.483 0.071) 1.625 40.111 ( -5.689 -2.889 2.419) 6.823 40.431 ( 4.833 -3.172 2.667) 6.367 40.514 ( -7.419 1.744 4.390) 8.795 40.859 ( 12.009 -6.236 12.137) 18.177 41.178 ( 3.631 -15.118 11.165) 19.142 41.717 ( 1.716 -6.422 -0.417) 6.661 41.907 ( -0.880 0.411 5.339) 5.426 42.388 ( -5.363 -9.875 -10.135) 15.133 42.503 ( 1.294 4.534 3.773) 6.039 42.697 ( -10.432 -2.303 -2.268) 10.921 42.945 ( -13.210 3.888 5.354) 14.774 43.246 ( -5.394 5.888 1.227) 8.078 43.727 ( -2.930 3.077 -9.249) 10.178 43.803 ( 4.534 2.773 2.098) 5.714 44.137 ( 7.956 -1.783 -3.244) 8.774 44.655 ( -8.686 6.370 -6.362) 12.510 44.721 ( -1.234 2.927 -8.740) 9.299 ======================= Grid point 100 (50/80) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 3.596 4.029 -16.457) 17.320 1.408 ( 18.205 -5.975 -16.179) 25.078 1.568 ( -18.636 15.136 -22.737) 33.066 1.934 ( 2.192 5.638 -5.156) 7.948 2.032 ( -1.930 6.646 -6.990) 9.836 2.258 ( -25.980 32.402 -29.111) 50.718 2.594 ( 3.106 -4.448 0.381) 5.439 2.715 ( -6.464 1.687 -1.224) 6.792 2.793 ( -1.424 3.727 -1.993) 4.460 2.877 ( -3.254 3.567 0.489) 4.853 3.064 ( 0.353 0.064 -5.901) 5.911 3.148 ( -3.250 4.716 3.935) 6.949 3.365 ( 2.681 1.976 3.917) 5.141 3.504 ( -6.658 5.358 7.223) 11.190 3.521 ( -2.622 -6.548 5.430) 8.901 3.729 ( -0.948 1.069 0.575) 1.540 3.773 ( -7.215 4.959 5.623) 10.405 4.047 ( -1.970 3.541 4.207) 5.841 4.197 ( 5.662 17.853 -10.593) 21.517 4.309 ( 0.562 -5.679 1.398) 5.876 4.474 ( 0.250 -5.052 -2.020) 5.447 4.671 ( 2.783 2.951 15.758) 16.272 4.813 ( -0.129 -0.534 4.538) 4.571 4.919 ( -9.920 -4.341 3.868) 11.498 5.030 ( -0.219 -3.669 -4.721) 5.983 5.117 ( -4.651 -5.122 1.940) 7.185 5.171 ( 0.597 -0.877 2.627) 2.834 5.253 ( 7.234 -1.650 3.183) 8.073 5.459 ( -2.389 -9.373 3.261) 10.208 5.480 ( 6.189 6.982 10.224) 13.841 5.662 ( -0.065 6.797 1.550) 6.971 5.789 ( 3.876 4.919 2.604) 6.783 5.858 ( 8.080 3.696 9.187) 12.781 6.033 ( -3.070 -0.004 15.828) 16.123 6.094 ( -6.055 -4.268 7.962) 10.876 6.169 ( -4.286 5.864 0.593) 7.287 6.344 ( 7.382 10.596 3.988) 13.516 6.561 ( 0.053 0.462 -11.098) 11.107 6.711 ( 3.937 1.923 -4.728) 6.446 6.904 ( 2.153 -4.806 4.853) 7.161 7.054 ( -2.565 -0.671 3.202) 4.157 7.094 ( 5.762 -1.471 -12.673) 13.999 7.156 ( -6.367 2.431 1.238) 6.926 7.227 ( 1.013 -0.507 1.418) 1.815 7.651 ( -2.888 -10.245 2.410) 10.914 7.754 ( -2.141 -6.996 -2.217) 7.644 7.841 ( -0.450 8.826 6.317) 10.863 8.031 ( 5.169 7.063 -6.093) 10.664 8.218 ( 1.312 1.269 2.134) 2.808 8.275 ( -0.633 -0.937 12.926) 12.976 8.351 ( -9.439 16.498 -15.306) 24.404 8.638 ( 4.926 -3.431 -8.653) 10.531 8.759 ( -2.503 -4.080 -5.553) 7.331 8.867 ( 6.046 -0.136 -11.226) 12.752 8.984 ( -0.354 -8.730 -0.934) 8.787 9.078 ( 1.173 -13.052 0.288) 13.108 9.341 ( 2.227 3.352 -1.443) 4.275 9.400 ( -1.837 -5.463 -0.179) 5.766 9.522 ( 1.382 2.603 -3.003) 4.207 9.653 ( 1.537 2.993 -4.186) 5.370 10.061 ( 3.100 -3.197 3.605) 5.729 10.189 ( 2.229 -0.913 2.405) 3.404 10.281 ( -1.942 -4.967 2.759) 6.005 10.437 ( -2.636 -1.894 4.848) 5.834 11.072 ( 2.705 1.686 2.054) 3.792 11.203 ( -2.640 1.928 -2.070) 3.869 11.348 ( 7.172 -0.642 3.623) 8.061 11.421 ( -5.036 -4.635 -0.825) 6.894 11.900 ( 2.631 -1.257 -0.241) 2.926 11.929 ( -1.834 0.339 -0.323) 1.893 12.286 ( 4.598 -5.360 2.357) 7.445 12.362 ( -3.841 -9.899 0.443) 10.627 12.862 ( 1.084 1.849 1.096) 2.408 13.021 ( -2.721 0.723 -3.495) 4.488 13.184 ( -0.836 -7.535 4.653) 8.895 13.370 ( -3.011 -9.652 -4.468) 11.054 13.600 ( 3.014 -0.542 -0.112) 3.064 13.672 ( -0.999 -1.536 -2.530) 3.123 13.832 ( 0.964 5.379 2.270) 5.918 13.894 ( 2.874 4.404 -0.412) 5.275 14.351 ( 0.326 3.305 0.368) 3.341 14.448 ( 0.136 8.833 -5.246) 10.274 14.706 ( 1.258 4.942 7.923) 9.422 15.015 ( -1.849 5.462 -1.381) 5.929 15.037 ( -7.456 5.267 -2.259) 9.404 15.282 ( 3.024 -12.999 -1.999) 13.494 15.594 ( 3.912 0.041 9.188) 9.986 15.874 ( 3.586 2.228 5.265) 6.749 16.102 ( -2.280 -1.913 -1.479) 3.323 16.191 ( -1.478 -9.226 3.245) 9.891 16.482 ( -2.079 9.750 -8.206) 12.912 16.587 ( -0.781 9.842 -0.054) 9.873 16.745 ( 6.183 2.424 23.113) 24.049 17.025 ( -0.945 0.883 6.342) 6.473 17.177 ( -1.344 2.014 3.451) 4.215 17.514 ( 1.286 1.519 -4.268) 4.709 17.615 ( -3.440 8.839 -10.459) 14.119 17.969 ( -4.628 3.243 -10.411) 11.846 18.109 ( 1.082 -1.487 12.117) 12.256 18.152 ( 0.684 0.187 -4.232) 4.291 18.302 ( -6.183 2.878 -0.122) 6.821 18.594 ( -1.827 -1.637 1.420) 2.834 18.631 ( 0.339 -4.025 0.186) 4.044 18.684 ( 0.475 -1.814 -1.362) 2.318 18.816 ( -0.490 -7.334 -4.352) 8.542 18.852 ( -1.779 1.063 2.137) 2.977 18.917 ( 2.725 -8.957 -12.026) 15.241 19.167 ( -0.853 0.042 -5.031) 5.103 19.227 ( 1.634 -2.763 1.170) 3.417 19.261 ( 2.393 -1.676 1.053) 3.106 19.326 ( 5.095 0.554 2.758) 5.820 19.418 ( 1.126 -1.318 0.387) 1.776 19.552 ( -2.572 5.428 0.053) 6.007 19.693 ( -5.381 8.761 -6.900) 12.382 19.749 ( 2.299 -8.259 -3.675) 9.328 19.923 ( 0.879 1.406 -12.572) 12.681 20.154 ( 4.455 -8.465 6.065) 11.327 20.318 ( -2.516 -3.420 4.439) 6.143 20.411 ( 1.427 -12.305 1.836) 12.522 20.468 ( 2.440 -5.652 0.275) 6.163 20.543 ( 3.543 -1.296 -3.560) 5.187 20.779 ( -2.941 1.627 -3.781) 5.059 21.172 ( -6.438 -0.337 -2.450) 6.897 21.302 ( 18.428 -10.504 -5.585) 21.935 22.348 ( -0.282 -0.690 1.440) 1.621 22.415 ( -0.428 -0.165 -1.463) 1.533 22.466 ( 1.312 -5.541 1.077) 5.796 22.510 ( -0.880 -4.296 -1.267) 4.565 22.882 ( 0.224 1.748 0.258) 1.781 22.911 ( 0.615 1.945 -0.958) 2.254 23.071 ( -0.421 -1.386 0.472) 1.523 23.119 ( 0.664 -1.445 -2.047) 2.593 24.098 ( 0.005 8.019 11.728) 14.208 24.212 ( 5.260 10.123 3.653) 11.979 24.365 ( -0.319 21.417 2.992) 21.628 24.800 ( -13.482 9.438 -15.560) 22.649 25.399 ( -8.158 -13.897 10.479) 19.222 25.551 ( 7.080 -11.340 7.896) 15.527 25.838 ( 0.672 4.570 3.354) 5.708 26.094 ( 0.156 4.274 1.619) 4.573 26.484 ( -8.852 23.904 -4.330) 25.855 26.816 ( 1.444 8.761 -8.932) 12.595 27.053 ( -8.889 4.298 6.105) 11.608 27.279 ( -7.589 -0.996 9.954) 12.557 27.337 ( 8.298 -1.342 -2.111) 8.667 27.655 ( 13.619 -5.999 -10.299) 18.098 28.176 ( -3.335 5.237 8.787) 10.759 28.362 ( -2.081 1.231 -1.687) 2.948 28.516 ( 2.672 0.183 4.010) 4.822 28.623 ( -1.047 -2.171 5.467) 5.975 28.991 ( -2.615 -6.754 -8.467) 11.142 29.102 ( -0.169 -3.603 -7.612) 8.424 29.140 ( 5.970 -7.249 -11.263) 14.665 29.177 ( -1.128 -0.673 -4.104) 4.309 29.339 ( 0.941 -11.776 -0.148) 11.814 29.388 ( 2.699 -7.540 -1.226) 8.102 30.229 ( 2.506 12.992 8.690) 15.830 30.589 ( -1.243 9.062 -11.411) 14.624 30.955 ( 4.262 2.218 17.021) 17.686 31.292 ( 1.844 -6.195 13.933) 15.359 31.480 ( -6.655 2.477 0.002) 7.101 31.734 ( 1.958 -6.193 1.715) 6.718 31.865 ( 0.864 2.748 -1.557) 3.275 32.297 ( -9.495 -10.709 -8.904) 16.856 32.604 ( -3.131 0.352 2.570) 4.066 32.706 ( 6.083 3.802 2.555) 7.615 32.837 ( 3.152 -0.747 0.492) 3.276 33.009 ( -0.915 -3.258 -11.141) 11.643 33.674 ( -3.796 2.200 12.563) 13.307 33.916 ( -3.799 -3.778 7.491) 9.210 34.232 ( 6.505 3.179 -11.841) 13.879 34.483 ( 3.917 -3.053 -10.014) 11.178 37.606 ( 0.605 2.223 -0.898) 2.473 37.653 ( -1.759 2.212 -3.202) 4.270 37.981 ( -2.614 -2.397 4.682) 5.874 38.149 ( 6.547 -3.921 -1.925) 7.871 38.970 ( 0.282 6.164 0.453) 6.187 39.003 ( -0.663 6.674 -1.692) 6.917 39.224 ( 2.168 3.731 5.689) 7.140 39.261 ( -3.221 0.842 -0.136) 3.332 39.361 ( 0.547 4.336 -2.014) 4.812 39.544 ( 5.294 5.865 1.126) 7.981 39.583 ( -2.498 3.886 -8.876) 10.006 39.650 ( -4.271 4.181 -2.768) 6.587 39.667 ( -4.117 -1.316 -0.984) 4.433 39.801 ( -3.614 -0.402 -2.133) 4.216 40.034 ( 1.745 -4.466 4.385) 6.498 40.065 ( -0.091 -1.391 3.948) 4.187 40.412 ( -4.426 0.859 5.624) 7.208 40.551 ( 4.613 -5.126 1.816) 7.132 41.216 ( 14.257 -12.727 14.836) 24.194 41.338 ( 2.118 -14.982 10.061) 18.171 41.705 ( -5.684 -8.175 4.844) 11.072 41.969 ( 1.786 4.262 2.574) 5.290 42.206 ( -5.616 -3.442 -3.197) 7.322 42.488 ( -6.209 -2.969 -8.861) 11.220 42.574 ( -0.259 3.642 7.068) 7.956 42.777 ( -4.666 7.212 -3.794) 9.390 43.236 ( 1.333 2.960 3.556) 4.815 43.581 ( -1.735 2.939 -12.174) 12.643 43.902 ( 2.241 4.030 7.560) 8.855 44.252 ( 1.753 -2.868 2.457) 4.164 44.429 ( -6.496 5.675 -8.974) 12.447 44.585 ( -2.563 2.981 -13.168) 13.742 ======================= Grid point 101 (51/80) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 7.222 8.959 -0.586) 11.522 1.349 ( -1.268 38.719 4.479) 38.998 1.613 ( 11.737 13.688 -24.207) 30.185 1.707 ( 10.295 27.839 -7.777) 30.683 1.953 ( 0.143 11.334 -5.601) 12.643 2.017 ( 5.889 8.700 0.043) 10.506 2.616 ( -0.663 -2.131 2.569) 3.403 2.722 ( 3.830 -1.739 1.316) 4.408 2.791 ( 1.778 2.361 0.559) 3.008 2.852 ( -6.017 4.980 3.582) 8.593 2.924 ( -2.526 0.222 -4.521) 5.184 3.238 ( 7.745 3.608 2.522) 8.909 3.420 ( -6.740 -1.650 1.637) 7.130 3.445 ( 2.234 1.810 2.988) 4.147 3.581 ( -4.101 -2.630 16.158) 16.876 3.667 ( -1.743 10.756 -3.455) 11.431 3.733 ( -5.574 5.250 10.162) 12.724 4.130 ( 2.110 4.864 -5.433) 7.592 4.154 ( -0.718 3.457 5.230) 6.310 4.352 ( -0.424 -5.112 6.865) 8.570 4.488 ( 4.166 -3.347 -1.588) 5.575 4.696 ( -7.507 -2.565 -5.128) 9.446 4.806 ( -4.902 0.534 3.856) 6.260 4.858 ( 1.476 2.887 -0.938) 3.376 4.917 ( -10.304 1.476 4.568) 11.367 4.995 ( -2.457 -9.437 2.161) 9.988 5.214 ( 0.366 -4.490 4.090) 6.085 5.434 ( 6.154 -6.159 5.764) 10.441 5.560 ( -0.847 -6.579 2.788) 7.196 5.588 ( 5.545 -4.287 0.578) 7.033 5.692 ( 1.549 6.322 3.975) 7.627 5.761 ( 0.313 -3.132 -5.195) 6.075 6.004 ( -5.875 5.643 -8.347) 11.663 6.017 ( -3.848 2.395 9.424) 10.457 6.066 ( -8.773 3.188 5.046) 10.611 6.205 ( 7.268 3.999 6.812) 10.734 6.349 ( -5.765 8.577 -1.139) 10.397 6.483 ( 2.138 -1.340 -1.927) 3.174 6.855 ( 7.507 -2.494 -0.372) 7.919 6.982 ( 1.380 5.346 -2.331) 5.994 7.012 ( -1.322 2.065 -9.060) 9.386 7.080 ( 6.704 6.063 5.195) 10.426 7.167 ( 6.519 -2.790 -0.245) 7.095 7.344 ( 8.190 -2.093 1.860) 8.656 7.586 ( -1.302 -5.773 -2.038) 6.259 7.787 ( -1.382 -7.588 0.850) 7.759 7.953 ( 1.981 10.167 14.736) 18.012 7.987 ( 1.439 8.044 -9.250) 12.342 8.148 ( -5.416 1.009 -4.959) 7.412 8.236 ( 4.348 7.747 -0.496) 8.897 8.380 ( 6.278 1.129 4.270) 7.676 8.635 ( -4.638 -1.755 -3.156) 5.878 8.705 ( 5.841 0.065 -7.060) 9.163 8.863 ( 6.170 -0.507 -9.741) 11.542 9.037 ( 2.861 -8.866 2.080) 9.546 9.071 ( 0.650 -12.726 -2.286) 12.946 9.269 ( -9.485 -3.442 -0.910) 10.131 9.334 ( -2.809 -2.307 -1.570) 3.959 9.505 ( -4.876 3.522 -0.649) 6.050 9.536 ( -6.836 7.179 -6.918) 12.088 10.121 ( 0.937 -4.227 -1.101) 4.467 10.263 ( 7.852 -3.482 1.162) 8.668 10.358 ( 1.429 -8.019 9.253) 12.328 10.405 ( -3.152 -6.547 -0.707) 7.301 11.101 ( -5.115 1.959 -3.537) 6.520 11.145 ( 2.567 3.617 3.146) 5.438 11.308 ( -5.872 -1.459 -1.375) 6.205 11.503 ( 6.569 -4.500 1.033) 8.029 11.838 ( -3.622 0.818 -0.609) 3.763 12.027 ( 7.173 -1.421 0.405) 7.324 12.247 ( -7.227 -6.930 -2.054) 10.221 12.386 ( 3.474 -6.308 2.602) 7.657 12.911 ( -0.006 0.783 1.798) 1.961 12.926 ( -2.224 1.282 -2.064) 3.293 13.224 ( -0.257 -8.716 5.677) 10.405 13.305 ( -0.702 -9.843 -1.860) 10.042 13.633 ( 1.033 -0.947 -3.037) 3.344 13.684 ( 4.809 -1.830 -0.308) 5.155 13.857 ( 0.437 5.174 0.396) 5.207 13.933 ( 2.699 5.447 -2.101) 6.432 14.300 ( -5.357 6.157 0.903) 8.211 14.375 ( -3.846 6.844 -3.573) 8.626 14.838 ( 3.120 9.073 7.805) 12.368 14.867 ( -4.006 10.208 -2.964) 11.359 15.065 ( 0.126 -0.446 7.555) 7.569 15.268 ( 0.891 -12.188 -7.542) 14.361 15.748 ( 2.775 -0.320 9.702) 10.096 15.819 ( -5.635 -3.106 -9.287) 11.298 16.061 ( -0.810 -1.233 6.605) 6.768 16.295 ( -5.060 7.747 -11.380) 14.667 16.331 ( 3.981 -6.509 10.660) 13.110 16.568 ( -0.691 -5.062 -7.696) 9.237 17.013 ( -2.527 2.469 17.278) 17.636 17.112 ( 3.561 8.206 19.807) 21.733 17.175 ( -6.854 5.157 -2.577) 8.956 17.385 ( -3.129 6.579 -9.647) 12.089 17.537 ( 1.796 13.560 -0.812) 13.702 17.806 ( 1.086 -5.323 -14.035) 15.050 18.148 ( -0.884 -2.040 -2.567) 3.396 18.187 ( 3.064 0.867 0.640) 3.248 18.289 ( -0.788 8.599 10.501) 13.595 18.554 ( -0.191 -2.376 -2.500) 3.454 18.630 ( 0.994 -1.147 -1.751) 2.317 18.707 ( -2.359 -4.086 2.454) 5.318 18.785 ( -3.910 -8.684 -0.805) 9.558 18.842 ( 7.447 5.758 -3.601) 10.079 18.926 ( 1.715 -4.833 2.545) 5.725 19.094 ( -1.119 0.823 -5.546) 5.718 19.236 ( -3.123 1.462 -1.079) 3.613 19.245 ( -1.185 -1.641 -0.322) 2.050 19.342 ( -2.134 -2.236 1.022) 3.255 19.482 ( -0.613 2.682 1.209) 3.005 19.566 ( 1.327 7.517 1.812) 7.845 19.627 ( 3.429 -1.285 3.964) 5.397 19.711 ( 3.988 -2.169 -17.644) 18.219 19.917 ( 7.080 -2.676 -3.866) 8.499 20.242 ( -4.172 -7.689 -0.016) 8.748 20.289 ( -2.870 -6.531 -1.128) 7.222 20.330 ( -0.379 -5.288 5.716) 7.796 20.544 ( 1.268 -6.896 -4.251) 8.200 20.613 ( -0.048 4.913 -1.286) 5.079 20.692 ( 2.211 -6.250 -2.212) 6.989 20.979 ( -10.659 -5.704 -4.179) 12.791 21.574 ( 17.928 -16.909 -7.854) 25.865 22.364 ( 0.156 -0.409 2.017) 2.064 22.391 ( -0.548 -0.840 -1.409) 1.730 22.471 ( -1.616 -5.481 -0.956) 5.794 22.496 ( 0.649 -5.278 0.347) 5.329 22.883 ( -0.246 1.665 -0.050) 1.684 22.909 ( 0.150 1.874 -0.981) 2.121 23.070 ( -0.278 -1.407 0.601) 1.555 23.111 ( 0.450 -1.277 -1.863) 2.303 24.065 ( -7.721 5.994 3.844) 10.503 24.374 ( 7.495 13.024 4.965) 15.826 24.433 ( -8.633 8.579 -8.832) 15.038 24.610 ( 11.734 20.298 7.729) 24.687 25.310 ( -9.941 -12.449 7.991) 17.823 25.747 ( 7.204 -4.889 -4.847) 9.965 25.867 ( -2.422 -6.039 16.807) 18.023 26.063 ( -4.450 9.145 -5.699) 11.658 26.333 ( -5.766 24.953 6.646) 26.459 26.823 ( 7.223 11.828 -5.045) 14.749 26.862 ( -14.228 7.383 -1.739) 16.124 27.212 ( -9.301 -2.128 9.049) 13.151 27.414 ( 1.894 -3.476 -2.611) 4.742 27.747 ( 5.929 -7.527 -11.540) 14.999 28.207 ( -3.788 3.124 11.409) 12.421 28.321 ( -0.827 3.815 -0.587) 3.948 28.586 ( 1.892 3.562 0.226) 4.040 28.661 ( -0.758 -2.633 6.317) 6.886 28.884 ( -0.025 -11.699 -5.416) 12.892 29.039 ( 1.924 -2.047 -17.291) 17.518 29.126 ( 2.919 -6.684 -0.765) 7.333 29.157 ( 0.949 -2.478 -1.775) 3.192 29.341 ( -0.216 -8.760 -0.899) 8.808 29.425 ( 3.275 -9.249 -2.614) 10.154 30.332 ( 0.905 14.617 5.955) 15.810 30.442 ( -5.684 6.676 -4.797) 9.994 31.210 ( -4.104 -1.333 -0.653) 4.365 31.251 ( 6.497 -1.694 7.711) 10.225 31.523 ( 0.740 -9.922 13.830) 17.037 31.745 ( 0.976 0.065 -5.045) 5.139 31.921 ( -8.036 -6.867 -1.623) 10.694 32.058 ( 0.811 -2.412 0.606) 2.616 32.568 ( -3.535 0.349 0.932) 3.672 32.814 ( -2.233 -2.675 2.588) 4.340 32.844 ( 6.603 8.701 -9.655) 14.579 32.951 ( 2.434 1.300 -0.853) 2.888 33.707 ( -4.085 1.747 10.128) 11.059 33.954 ( -0.983 -5.862 9.776) 11.441 34.241 ( 5.862 3.757 -10.954) 12.980 34.440 ( 2.754 -1.658 -12.031) 12.453 37.589 ( -1.112 1.146 -0.768) 1.772 37.651 ( 3.187 4.152 -0.935) 5.317 37.955 ( -4.472 -2.939 3.186) 6.228 38.216 ( 4.360 -4.595 -5.094) 8.128 38.978 ( -0.007 6.118 0.198) 6.122 38.986 ( 0.113 6.514 -0.255) 6.520 39.210 ( -2.483 2.015 1.476) 3.522 39.321 ( 1.451 3.092 6.476) 7.321 39.392 ( 3.483 1.381 -1.693) 4.111 39.445 ( -2.155 4.103 -5.244) 6.998 39.539 ( -3.661 4.300 -2.006) 5.993 39.609 ( 0.459 2.075 -1.175) 2.429 39.701 ( 1.968 4.275 3.257) 5.723 39.720 ( -2.297 2.546 0.948) 3.558 39.972 ( -6.105 -2.744 1.447) 6.848 40.114 ( -2.143 -0.210 1.346) 2.539 40.498 ( 5.073 -4.368 5.090) 8.410 40.667 ( 9.536 -3.612 -0.103) 10.198 41.308 ( -8.706 -15.325 -4.547) 18.203 41.479 ( 0.075 -15.897 -1.692) 15.987 41.733 ( 4.520 2.829 20.863) 21.534 41.902 ( -6.775 -4.698 -3.682) 9.029 42.225 ( 3.848 4.675 2.391) 6.510 42.402 ( 3.303 4.222 -6.888) 8.728 42.571 ( 0.895 -6.245 5.834) 8.592 42.860 ( 10.668 2.965 5.708) 12.457 43.323 ( 3.199 4.255 5.487) 7.645 43.494 ( 3.879 2.543 -10.758) 11.715 43.985 ( -6.641 2.214 6.854) 9.797 44.107 ( -8.533 2.096 7.382) 11.476 44.391 ( 3.193 2.003 -13.010) 13.545 44.518 ( 6.400 2.766 -1.231) 7.080 ======================= Grid point 102 (52/80) ======================= q-point: (-0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 12.848 6.854 8.147) 16.686 1.432 ( 6.727 27.483 25.751) 38.258 1.855 ( 18.843 4.471 -11.707) 22.630 1.959 ( 8.470 4.754 3.871) 10.456 2.030 ( -1.693 9.335 8.970) 13.056 2.156 ( 17.461 23.019 14.388) 32.277 2.666 ( 4.900 -1.338 -2.735) 5.769 2.710 ( -0.574 -1.865 -3.768) 4.243 2.814 ( 0.641 5.771 5.549) 8.032 2.867 ( 5.369 4.363 2.353) 7.307 2.962 ( 2.426 6.793 2.505) 7.636 3.272 ( -4.332 1.858 0.545) 4.745 3.374 ( -1.857 1.977 5.874) 6.470 3.532 ( 1.948 -2.283 4.917) 5.761 3.579 ( -6.638 -0.007 12.072) 13.776 3.728 ( 1.987 14.044 3.758) 14.674 3.764 ( 5.571 -0.720 5.853) 8.113 3.978 ( -5.796 0.665 -11.976) 13.321 4.190 ( -1.713 -7.446 -1.494) 7.785 4.414 ( -4.233 0.895 15.536) 16.127 4.569 ( -3.958 0.041 -0.889) 4.057 4.599 ( 7.276 -0.732 -1.417) 7.449 4.702 ( -4.031 -1.135 -0.561) 4.225 4.807 ( 0.069 2.743 -5.345) 6.008 4.900 ( -8.339 4.289 18.308) 20.570 4.957 ( -4.921 -4.729 1.126) 6.917 5.319 ( 6.653 -5.411 1.482) 8.703 5.394 ( -6.901 -5.371 -9.472) 12.891 5.464 ( -11.645 -3.062 5.846) 13.385 5.659 ( 2.428 -2.285 -5.925) 6.799 5.711 ( 2.341 -7.268 -7.315) 10.574 5.824 ( 2.380 4.350 5.370) 7.309 5.847 ( -6.348 1.127 -14.417) 15.793 5.892 ( -3.405 5.423 -1.368) 6.548 5.913 ( -4.685 5.067 -6.302) 9.346 6.309 ( -0.916 6.685 13.453) 15.050 6.399 ( 1.084 2.559 2.779) 3.930 6.522 ( 4.787 0.878 2.015) 5.268 6.862 ( 0.402 -0.520 -5.632) 5.670 6.927 ( 0.155 7.384 -8.479) 11.245 7.012 ( 2.003 0.804 -3.869) 4.430 7.136 ( 1.158 8.647 -3.454) 9.383 7.338 ( 5.144 -8.113 2.210) 9.857 7.507 ( 9.179 -1.737 2.852) 9.767 7.633 ( 4.012 -3.878 4.801) 7.361 7.717 ( -1.849 -1.674 5.039) 5.622 7.936 ( -10.103 -2.502 -3.348) 10.933 8.013 ( -4.673 0.074 0.384) 4.689 8.092 ( -0.056 4.160 4.829) 6.374 8.361 ( 12.906 3.380 -2.829) 13.638 8.524 ( -1.613 -1.060 -5.283) 5.624 8.617 ( 13.207 1.530 4.907) 14.172 8.723 ( 4.308 1.943 -9.345) 10.472 8.891 ( 1.552 -0.856 -1.343) 2.223 9.019 ( -2.957 -11.750 -2.242) 12.322 9.110 ( -3.708 0.117 -1.211) 3.902 9.173 ( 3.257 -4.952 3.108) 6.692 9.254 ( -1.470 0.364 5.825) 6.018 9.370 ( -2.229 7.506 -3.990) 8.788 9.451 ( -1.859 2.245 -0.955) 3.067 10.151 ( 1.866 -3.990 -0.331) 4.418 10.229 ( -7.561 -5.845 -11.818) 15.199 10.322 ( -3.353 -4.337 -0.488) 5.503 10.490 ( 1.988 -2.897 5.759) 6.746 11.037 ( 0.510 -0.138 0.443) 0.690 11.182 ( -3.312 2.954 -1.034) 4.557 11.231 ( 1.197 0.845 2.282) 2.712 11.530 ( -1.904 -1.252 -4.516) 5.058 11.850 ( 3.881 -2.114 2.934) 5.304 12.107 ( -2.312 -4.053 -2.634) 5.358 12.127 ( 0.326 -4.506 0.141) 4.520 12.414 ( -2.169 -7.734 -1.543) 8.179 12.861 ( 0.481 1.983 0.386) 2.077 12.973 ( 0.850 0.296 3.296) 3.417 13.253 ( -2.481 -9.483 5.884) 11.432 13.318 ( 2.368 -9.260 0.797) 9.592 13.638 ( 3.076 0.172 -4.090) 5.121 13.750 ( 3.240 -2.420 -1.310) 4.251 13.848 ( -1.119 4.010 -2.137) 4.680 13.936 ( 0.603 3.957 -4.349) 5.910 14.215 ( -6.024 8.485 2.340) 10.666 14.292 ( -1.026 11.109 -3.300) 11.634 14.807 ( -0.374 3.601 1.055) 3.771 14.966 ( 2.508 6.183 7.618) 10.127 15.129 ( 0.159 0.921 4.169) 4.273 15.229 ( 0.894 -7.349 -2.027) 7.675 15.617 ( -5.989 -1.302 -9.155) 11.017 15.842 ( -1.571 -3.645 1.788) 4.354 16.068 ( -3.974 -4.736 0.960) 6.257 16.154 ( -2.041 8.463 -3.361) 9.332 16.425 ( 0.418 0.523 4.256) 4.308 16.519 ( -2.555 2.317 2.004) 3.989 16.885 ( -10.220 3.779 -14.638) 18.249 17.090 ( 1.084 -7.476 10.049) 12.572 17.246 ( -3.715 7.984 2.225) 9.083 17.417 ( 4.620 9.183 7.133) 12.512 17.556 ( 1.264 -1.103 -0.043) 1.678 17.865 ( 5.726 -0.627 10.645) 12.104 18.149 ( 2.805 -1.870 -0.435) 3.399 18.243 ( 2.230 0.338 1.405) 2.657 18.313 ( -1.102 7.098 -4.886) 8.687 18.558 ( 0.008 -0.693 1.048) 1.257 18.636 ( 1.314 4.124 -1.835) 4.701 18.680 ( -1.428 -3.204 4.211) 5.481 18.704 ( -2.921 -5.349 -1.477) 6.271 18.932 ( -2.356 0.228 0.721) 2.475 18.966 ( 3.235 0.560 1.332) 3.543 19.055 ( -0.802 -7.748 -3.501) 8.540 19.171 ( 0.582 1.669 0.140) 1.773 19.243 ( 1.780 0.988 -0.016) 2.035 19.349 ( 1.138 -2.660 1.189) 3.128 19.478 ( -0.322 0.525 -0.176) 0.641 19.557 ( -0.513 3.103 -0.049) 3.146 19.634 ( 5.128 2.371 -15.157) 16.176 19.793 ( 6.401 -1.908 3.243) 7.426 19.980 ( 1.854 -8.424 -4.082) 9.543 20.154 ( 2.068 1.410 0.811) 2.632 20.242 ( -4.644 -6.322 -2.233) 8.156 20.354 ( -3.850 -4.301 3.162) 6.582 20.434 ( -2.970 -6.326 -5.474) 8.877 20.653 ( 5.685 0.535 -4.333) 7.168 20.725 ( -0.805 -2.045 0.418) 2.237 20.798 ( -5.467 -7.958 -0.091) 9.656 21.704 ( 8.148 -17.829 -16.641) 25.714 22.378 ( -0.242 -0.314 0.981) 1.058 22.383 ( 0.267 -0.681 0.370) 0.820 22.441 ( -0.770 -3.893 -0.267) 3.978 22.499 ( -0.769 -3.277 0.231) 3.374 22.876 ( -0.252 1.769 -0.328) 1.816 22.900 ( -0.146 2.208 -0.981) 2.420 23.071 ( -0.229 -1.511 0.750) 1.702 23.108 ( 0.753 -1.334 -0.954) 1.804 23.972 ( -5.991 8.308 2.620) 10.573 24.212 ( -5.595 13.957 -8.149) 17.103 24.550 ( 7.561 3.964 5.420) 10.113 24.933 ( 12.835 11.433 11.798) 20.849 25.270 ( -4.180 -1.114 12.584) 13.307 25.616 ( -12.656 0.083 -3.046) 13.017 25.876 ( -5.915 12.028 -8.240) 15.734 26.051 ( 1.673 -0.331 6.103) 6.336 26.424 ( 1.642 6.682 17.981) 19.253 26.631 ( -6.830 10.376 -0.726) 12.443 26.956 ( 9.523 12.834 -1.387) 16.041 27.127 ( -8.904 -3.875 6.570) 11.724 27.309 ( -7.251 -0.154 -7.776) 10.633 27.723 ( 2.431 -3.894 -5.149) 6.898 28.255 ( -1.678 1.328 11.021) 11.226 28.326 ( 0.082 3.060 2.697) 4.080 28.567 ( -3.496 5.766 -0.316) 6.751 28.688 ( -2.549 -2.762 5.341) 6.531 28.866 ( -0.339 -12.130 -14.499) 18.907 28.931 ( 6.193 -7.078 -5.679) 10.987 29.163 ( 0.257 -4.555 0.762) 4.625 29.214 ( 6.714 -7.328 -2.897) 10.353 29.326 ( 0.700 -5.759 -2.500) 6.317 29.450 ( 3.167 -7.195 -4.161) 8.894 30.321 ( -2.727 11.706 -1.685) 12.137 30.349 ( -4.215 16.517 -0.201) 17.048 31.078 ( -4.385 -6.576 -0.415) 7.915 31.404 ( -7.552 -5.142 0.811) 9.172 31.507 ( -2.793 -8.971 1.787) 9.564 31.690 ( -2.825 -1.272 -3.442) 4.631 31.848 ( 5.942 6.202 5.438) 10.166 32.228 ( 4.304 -3.030 12.385) 13.457 32.534 ( 0.182 -1.644 2.900) 3.338 32.785 ( 0.269 0.132 -0.306) 0.428 32.888 ( 4.665 5.863 -7.195) 10.388 32.973 ( -0.473 0.955 -1.312) 1.690 33.711 ( -5.347 1.500 9.389) 10.908 34.021 ( -0.910 -8.842 7.613) 11.703 34.232 ( 4.846 2.143 -12.021) 13.137 34.394 ( 4.345 -1.282 -11.330) 12.202 37.586 ( 0.838 0.692 0.930) 1.430 37.710 ( 3.693 3.402 0.022) 5.022 37.889 ( -5.368 -1.975 1.787) 5.993 38.207 ( 1.221 -3.513 -7.454) 8.331 38.979 ( 0.210 5.997 0.075) 6.002 38.995 ( 0.537 6.496 0.043) 6.518 39.217 ( 0.743 1.286 3.677) 3.966 39.321 ( -1.445 5.485 -4.202) 7.059 39.355 ( -3.549 4.044 -0.209) 5.384 39.459 ( 2.275 -0.687 0.967) 2.566 39.564 ( 1.002 -0.320 3.301) 3.464 39.614 ( 0.759 2.398 2.159) 3.315 39.698 ( 2.191 -0.892 5.775) 6.240 39.781 ( 0.351 -0.554 2.721) 2.799 39.921 ( 0.019 2.612 1.323) 2.928 40.078 ( -2.336 3.483 2.903) 5.100 40.525 ( -3.208 -8.921 -2.940) 9.926 40.828 ( 8.796 -1.846 -4.930) 10.251 41.027 ( -13.245 -12.261 -11.363) 21.328 41.331 ( -9.032 -4.894 -7.413) 12.668 41.751 ( -5.377 -7.306 0.114) 9.072 41.981 ( 3.343 -4.852 1.587) 6.102 42.318 ( 5.812 -2.913 -1.659) 6.710 42.423 ( 5.555 12.420 2.673) 13.865 42.777 ( 7.715 -9.647 8.316) 14.891 43.117 ( 11.285 -6.346 4.907) 13.846 43.408 ( -0.013 6.846 7.190) 9.928 43.539 ( 9.943 1.996 -7.158) 12.413 43.788 ( -11.914 3.955 1.746) 12.674 44.152 ( -1.420 -5.526 2.764) 6.340 44.468 ( 13.241 4.746 2.928) 14.367 44.659 ( 8.475 4.202 2.377) 9.753 ======================= Grid point 103 (53/80) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 7.189 7.921 4.312) 11.533 1.747 ( -1.990 -1.312 -11.053) 11.307 1.857 ( -11.188 -0.374 -5.620) 12.526 2.098 ( 6.323 -8.283 -7.580) 12.886 2.266 ( 2.384 14.943 19.258) 24.491 2.555 ( 0.016 0.119 4.905) 4.906 2.692 ( 0.548 1.570 1.461) 2.214 2.767 ( -2.608 -0.754 3.553) 4.471 2.949 ( 4.529 3.046 -5.072) 7.451 3.152 ( 5.400 8.095 -2.764) 10.116 3.200 ( -5.520 2.852 3.522) 7.142 3.316 ( -1.072 4.395 6.645) 8.038 3.414 ( -9.665 -7.039 0.367) 11.962 3.479 ( 1.257 -0.568 3.495) 3.757 3.680 ( 2.906 -7.185 0.934) 7.807 3.705 ( 1.391 -7.498 1.833) 7.843 3.954 ( -2.744 7.637 -0.196) 8.117 3.992 ( 11.532 8.188 12.925) 19.159 4.158 ( -1.737 4.915 0.885) 5.287 4.385 ( -1.569 -0.720 9.480) 9.636 4.476 ( -1.168 -1.770 6.022) 6.384 4.644 ( 2.781 -3.513 4.399) 6.279 4.762 ( -0.564 5.527 1.604) 5.782 4.851 ( 3.136 4.929 3.348) 6.734 4.935 ( -1.781 9.794 -5.605) 11.424 4.996 ( -5.763 1.126 8.584) 10.401 5.112 ( 0.306 -9.769 1.703) 9.921 5.363 ( 3.350 -3.649 -0.160) 4.956 5.427 ( -8.134 8.080 9.828) 15.101 5.531 ( 2.589 -2.767 -9.556) 10.280 5.583 ( -1.974 1.857 -9.701) 10.073 5.765 ( 6.307 1.236 -6.296) 8.997 5.861 ( -2.750 5.985 -2.560) 7.067 5.878 ( -7.989 3.152 -4.199) 9.560 6.027 ( -4.728 7.095 9.444) 12.723 6.427 ( -2.266 -11.605 7.906) 14.224 6.529 ( -2.521 11.877 -2.484) 12.393 6.725 ( 1.776 8.685 2.330) 9.166 6.874 ( 6.363 -1.489 -7.157) 9.692 6.961 ( -3.834 10.523 -4.406) 12.035 7.008 ( -0.716 7.070 -5.126) 8.762 7.124 ( 1.253 -4.054 -9.568) 10.466 7.307 ( -3.627 7.372 3.373) 8.881 7.552 ( -0.809 -10.256 7.970) 13.014 7.616 ( -3.657 -4.595 -2.385) 6.339 7.683 ( -2.639 -0.136 4.636) 5.336 7.802 ( -3.330 -1.547 2.282) 4.323 7.878 ( 1.410 0.843 1.285) 2.086 8.161 ( -9.593 -6.960 0.685) 11.872 8.279 ( 3.522 -3.108 -2.810) 5.473 8.571 ( -0.500 -5.754 -12.217) 13.513 8.579 ( 3.472 -13.163 -7.125) 15.365 8.736 ( 10.854 -1.290 -7.157) 13.065 8.828 ( 1.994 -2.055 -2.530) 3.821 8.957 ( -1.769 3.958 3.907) 5.836 9.001 ( 8.134 -6.913 2.888) 11.058 9.265 ( 4.072 5.653 4.059) 8.063 9.351 ( -3.149 5.792 -3.619) 7.521 9.522 ( 3.161 2.553 -0.114) 4.065 9.583 ( 0.773 -1.136 2.813) 3.131 10.064 ( 1.220 2.128 0.536) 2.511 10.114 ( -1.097 -3.433 -0.277) 3.615 10.195 ( 2.608 6.191 6.239) 9.168 10.503 ( 0.380 -1.778 2.546) 3.128 11.068 ( 1.994 0.424 0.560) 2.114 11.172 ( -3.174 2.383 -2.124) 4.502 11.245 ( 0.145 -2.089 1.755) 2.732 11.409 ( -2.321 -4.174 -4.788) 6.763 11.878 ( 3.408 -4.554 2.623) 6.264 11.935 ( -2.742 -3.976 0.297) 4.839 12.077 ( -0.188 -2.982 -1.567) 3.374 12.145 ( -4.505 -7.554 -5.510) 10.379 12.941 ( 1.777 0.646 2.964) 3.515 12.996 ( -2.090 -0.857 1.154) 2.536 13.129 ( 0.921 -2.641 5.457) 6.132 13.219 ( 2.600 -6.344 2.092) 7.168 13.689 ( 2.671 1.291 -1.284) 3.233 13.740 ( 1.128 -1.050 -1.181) 1.942 13.852 ( -1.134 2.350 -4.507) 5.207 13.891 ( -3.069 0.213 -5.773) 6.542 14.396 ( -1.424 14.583 4.305) 15.272 14.584 ( 2.974 14.679 -3.848) 15.463 14.850 ( -1.029 -0.858 2.967) 3.256 14.952 ( -1.763 -5.943 -2.592) 6.720 15.025 ( -0.984 -4.840 2.404) 5.493 15.213 ( -2.437 -8.868 -5.160) 10.546 15.564 ( 0.321 9.429 2.809) 9.844 15.751 ( -0.285 -2.583 1.749) 3.132 16.050 ( -1.793 9.165 5.586) 10.881 16.264 ( 1.919 1.117 2.554) 3.384 16.509 ( -1.517 0.047 4.752) 4.988 16.605 ( 1.002 11.413 2.401) 11.706 16.815 ( -2.441 7.496 -5.810) 9.793 17.009 ( 4.450 -14.868 9.137) 18.009 17.338 ( -2.978 -1.669 0.143) 3.417 17.392 ( -3.059 6.394 -1.156) 7.182 17.625 ( -7.383 5.263 -8.661) 12.539 18.049 ( 3.942 -1.166 4.084) 5.795 18.163 ( -1.988 -9.563 -9.455) 13.594 18.220 ( 0.670 0.144 3.780) 3.842 18.307 ( -0.825 -8.811 -1.270) 8.940 18.418 ( -3.120 -13.981 -3.527) 14.753 18.491 ( -3.607 -1.484 0.981) 4.022 18.586 ( 0.507 -1.890 0.209) 1.968 18.669 ( 2.113 2.143 -4.154) 5.130 18.844 ( 0.527 1.404 8.056) 8.194 18.967 ( -1.131 4.020 -9.934) 10.776 19.014 ( -2.153 1.596 -3.074) 4.078 19.236 ( -0.128 0.005 1.772) 1.777 19.291 ( 0.901 0.599 -0.812) 1.353 19.337 ( 0.673 -3.292 -0.204) 3.367 19.496 ( -0.697 1.294 -2.075) 2.543 19.582 ( -1.420 -7.724 -5.458) 9.564 19.614 ( 10.845 1.894 -6.592) 12.832 19.739 ( 0.507 3.712 7.108) 8.035 20.009 ( 6.539 -6.556 4.814) 10.436 20.118 ( -1.377 1.656 -5.735) 6.127 20.190 ( -2.622 -2.286 -5.548) 6.548 20.275 ( -1.539 -2.791 5.015) 5.942 20.316 ( 3.133 0.124 2.689) 4.131 20.475 ( -0.229 -5.164 -3.671) 6.340 20.562 ( 0.296 -8.031 -4.612) 9.266 20.985 ( 9.721 6.515 3.849) 12.318 21.334 ( 3.836 -11.802 -12.369) 17.521 22.375 ( 0.370 -0.167 0.767) 0.868 22.390 ( 0.554 -0.221 0.429) 0.735 22.424 ( 1.562 -0.575 1.548) 2.273 22.454 ( -0.911 -1.134 0.639) 1.589 22.918 ( -0.119 2.863 0.210) 2.873 22.951 ( 0.536 3.399 -1.042) 3.595 23.034 ( -0.146 -2.714 0.805) 2.835 23.074 ( 0.794 -2.708 -0.921) 2.968 24.135 ( -2.583 11.081 6.113) 12.916 24.333 ( -2.158 8.121 -1.713) 8.576 24.663 ( 0.574 -1.970 6.999) 7.294 24.974 ( -4.676 -10.366 -4.747) 12.323 25.644 ( 2.825 17.637 16.740) 24.481 25.786 ( 2.198 15.398 5.190) 16.398 25.909 ( -0.189 7.398 -2.693) 7.875 26.159 ( 0.509 3.268 4.837) 5.859 26.370 ( -10.941 -0.045 4.019) 11.656 26.872 ( -9.243 -9.601 4.492) 14.063 27.016 ( 3.308 15.161 -2.618) 15.737 27.280 ( 1.673 10.159 1.002) 10.345 27.387 ( 4.376 13.994 0.597) 14.674 27.598 ( 0.008 -4.665 -9.178) 10.296 28.197 ( -3.097 -12.449 2.433) 13.057 28.270 ( 0.848 -12.557 -0.185) 12.587 28.590 ( 2.328 0.197 -1.709) 2.895 28.595 ( -2.765 -5.552 10.435) 12.139 28.705 ( 1.193 7.427 -9.675) 12.255 28.813 ( 1.132 -7.291 5.396) 9.141 29.040 ( 0.432 -8.407 2.315) 8.731 29.105 ( 2.905 -8.677 -6.900) 11.460 29.282 ( 5.533 0.957 -6.678) 8.725 29.399 ( 4.457 -3.265 -7.598) 9.395 30.546 ( 0.977 11.921 5.665) 13.235 30.672 ( -3.682 21.611 -2.785) 22.098 30.882 ( -5.435 -6.752 11.373) 14.299 31.229 ( -2.734 -6.120 -5.110) 8.429 31.488 ( 3.337 1.005 4.566) 5.744 31.564 ( -4.238 -0.357 -0.061) 4.253 32.136 ( 4.441 3.854 9.996) 11.597 32.285 ( -0.283 -3.292 6.338) 7.147 32.541 ( 1.773 -1.700 4.485) 5.114 32.741 ( 0.515 -5.471 1.315) 5.651 32.880 ( -0.707 -0.345 -9.647) 9.679 32.906 ( -4.542 -0.312 -9.295) 10.350 33.717 ( -6.063 1.733 8.404) 10.507 33.864 ( -3.967 -7.318 6.849) 10.779 34.241 ( 5.863 1.482 -13.374) 14.678 34.337 ( 5.214 -3.370 -11.799) 13.333 37.640 ( 1.315 1.174 1.948) 2.627 37.715 ( -1.970 -1.884 -1.055) 2.923 37.911 ( 1.769 4.250 0.885) 4.688 38.083 ( 0.352 -3.793 -6.198) 7.275 39.139 ( -0.353 9.672 0.679) 9.703 39.155 ( 0.855 8.228 0.169) 8.274 39.286 ( 1.003 1.457 2.349) 2.940 39.384 ( -2.499 3.393 -2.509) 4.904 39.412 ( 0.467 4.229 0.978) 4.366 39.455 ( -1.939 0.297 0.086) 1.964 39.534 ( -0.732 -2.056 2.132) 3.051 39.611 ( 1.488 -1.861 -2.039) 3.136 39.721 ( 0.017 -3.013 4.483) 5.401 39.829 ( 4.840 -3.170 5.699) 8.122 39.940 ( -1.371 -1.013 0.430) 1.758 40.167 ( -6.193 -11.844 -4.248) 14.024 40.285 ( -0.437 6.983 4.085) 8.102 40.512 ( -7.882 -6.210 -5.941) 11.661 40.871 ( -0.319 -2.465 -1.531) 2.920 41.028 ( -3.563 -7.190 -7.093) 10.710 41.712 ( 6.111 5.242 0.193) 8.053 41.907 ( -7.837 6.086 -6.735) 11.993 42.166 ( 5.778 -15.201 2.276) 16.421 42.432 ( -2.444 -13.454 -7.879) 15.782 42.942 ( -1.570 7.247 12.449) 14.490 43.164 ( -3.938 -2.338 8.214) 9.405 43.503 ( 4.417 3.300 -5.437) 7.743 43.626 ( 7.520 -0.818 -5.260) 9.214 43.869 ( -4.941 8.434 8.306) 12.827 44.072 ( -2.028 -2.944 4.322) 5.609 44.735 ( 7.449 3.510 1.829) 8.435 44.852 ( 8.488 -0.952 -2.788) 8.985 ======================= Grid point 104 (54/80) ======================= q-point: ( 0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -13.348 1.268 -5.685) 14.563 1.501 ( -19.827 1.248 -5.442) 20.598 1.802 ( 6.787 -0.171 -1.785) 7.019 2.130 ( 1.886 -9.151 -4.927) 10.563 2.434 ( -2.360 3.043 16.303) 16.752 2.571 ( -5.635 -2.418 4.232) 7.450 2.656 ( -4.815 -2.183 0.592) 5.320 2.727 ( 0.987 -1.737 -1.252) 2.357 2.976 ( 0.246 1.430 -3.963) 4.221 3.115 ( 0.144 -0.478 -8.582) 8.596 3.236 ( -8.651 -0.517 13.182) 15.776 3.298 ( -5.409 0.441 7.916) 9.598 3.390 ( 8.811 3.560 5.113) 10.792 3.485 ( -2.701 0.970 -0.689) 2.951 3.675 ( 0.103 -8.352 0.462) 8.365 3.768 ( 3.180 -9.017 -14.722) 17.554 3.952 ( -0.145 6.310 4.446) 7.720 4.044 ( 4.900 4.767 0.261) 6.841 4.343 ( 5.809 2.978 11.293) 13.044 4.377 ( -5.352 4.784 -3.133) 7.832 4.511 ( 0.442 9.194 1.363) 9.305 4.753 ( 1.392 1.200 6.197) 6.464 4.819 ( 2.206 6.054 3.646) 7.404 4.844 ( -3.507 3.695 -1.961) 5.459 4.933 ( 5.683 4.825 5.196) 9.087 4.994 ( -1.933 5.890 -0.730) 6.241 5.092 ( -2.713 0.174 0.666) 2.799 5.296 ( -10.761 5.055 0.757) 11.913 5.356 ( 1.332 -0.291 2.226) 2.610 5.476 ( 1.265 -2.182 -7.356) 7.776 5.633 ( 3.522 4.082 1.890) 5.713 5.707 ( 0.916 1.019 -4.179) 4.398 5.819 ( 0.064 5.862 2.760) 6.480 5.900 ( 4.441 -0.816 -0.199) 4.520 6.034 ( -4.968 6.991 13.858) 16.297 6.334 ( -6.424 2.848 -1.162) 7.123 6.513 ( -5.050 -4.692 3.416) 7.693 6.746 ( -4.899 -5.096 1.111) 7.155 6.886 ( 2.139 7.436 -3.557) 8.516 6.933 ( 4.872 1.278 -3.201) 5.968 6.982 ( 0.083 13.635 0.092) 13.635 7.046 ( -1.555 1.059 -5.353) 5.674 7.300 ( -3.345 4.629 6.390) 8.570 7.441 ( -7.270 -4.762 -0.672) 8.716 7.530 ( -9.803 -0.079 2.974) 10.245 7.689 ( -5.236 -3.279 6.679) 9.098 7.785 ( 0.705 -10.938 4.076) 11.694 7.972 ( 0.880 4.789 -2.074) 5.293 8.073 ( 5.137 0.761 1.988) 5.560 8.270 ( -0.463 -10.155 -3.921) 10.896 8.496 ( 1.757 -12.208 -7.109) 14.236 8.584 ( 3.357 -13.434 -7.699) 15.844 8.761 ( -3.195 -1.627 -5.913) 6.914 8.853 ( 8.447 3.417 -6.650) 11.281 8.928 ( -2.810 0.810 1.263) 3.186 9.126 ( 4.191 -4.162 -2.137) 6.281 9.228 ( -1.384 6.439 -1.103) 6.678 9.464 ( 7.180 2.719 1.803) 7.887 9.523 ( -1.494 1.095 -4.288) 4.671 9.617 ( 4.242 -2.223 0.858) 4.865 10.039 ( -1.953 3.116 1.814) 4.100 10.140 ( 1.933 -1.158 -2.186) 3.139 10.353 ( 1.109 8.432 7.626) 11.422 10.422 ( -2.307 6.809 -4.306) 8.380 11.097 ( -1.891 0.904 -2.194) 3.034 11.155 ( 3.842 -1.470 2.233) 4.681 11.280 ( -0.372 -0.853 2.109) 2.305 11.335 ( 0.158 -4.132 -1.603) 4.434 11.896 ( -2.298 -3.866 -0.665) 4.547 11.966 ( 3.380 -9.069 2.826) 10.082 12.021 ( -4.148 -3.335 -2.586) 5.917 12.084 ( 1.315 -5.863 1.413) 6.172 12.960 ( -2.497 0.293 0.101) 2.516 12.999 ( 1.785 -1.023 2.511) 3.246 13.174 ( -0.779 -0.431 2.416) 2.575 13.264 ( 1.788 -6.790 -0.669) 7.053 13.701 ( -1.344 0.599 -2.648) 3.029 13.730 ( -1.125 0.455 -1.807) 2.176 13.804 ( 0.568 1.740 -2.679) 3.244 13.834 ( 1.580 0.646 -0.186) 1.717 14.386 ( -1.848 14.628 2.106) 14.893 14.641 ( 6.539 12.239 -1.744) 13.986 14.819 ( -7.814 -1.357 -2.233) 8.239 14.911 ( 0.307 -7.620 3.609) 8.437 15.021 ( -1.094 -4.964 2.560) 5.691 15.189 ( 3.917 -8.220 -2.015) 9.326 15.627 ( -0.270 8.318 3.672) 9.096 15.732 ( 0.707 4.399 -2.380) 5.051 16.096 ( -1.161 2.101 8.550) 8.881 16.340 ( 4.448 1.592 3.427) 5.837 16.416 ( -6.440 6.507 -5.990) 10.940 16.593 ( 4.328 21.636 0.233) 22.066 16.916 ( 2.697 8.351 13.852) 16.398 17.206 ( 0.356 -16.055 3.709) 16.481 17.251 ( -4.875 -3.688 -9.121) 10.980 17.287 ( -1.658 5.984 -8.891) 10.844 17.539 ( 0.986 -10.628 18.026) 20.949 17.955 ( -1.727 -2.960 -10.637) 11.176 18.151 ( -1.958 -6.565 -4.657) 8.283 18.272 ( 6.633 -9.631 7.271) 13.770 18.332 ( 1.662 -16.968 -1.315) 17.099 18.355 ( -0.739 -7.422 -3.346) 8.175 18.512 ( -1.223 8.467 8.317) 11.931 18.582 ( -0.572 -0.115 -1.236) 1.367 18.675 ( 2.734 -0.089 -4.010) 4.854 18.872 ( -2.002 -0.155 -2.229) 3.000 18.915 ( 2.122 2.757 -0.180) 3.484 18.983 ( 0.799 -1.796 -1.608) 2.540 19.217 ( -4.002 -0.936 1.727) 4.458 19.254 ( -4.009 -2.952 -1.735) 5.272 19.317 ( 0.974 2.249 -2.568) 3.550 19.467 ( -1.366 -4.540 -4.126) 6.285 19.530 ( 0.195 -0.038 0.576) 0.610 19.682 ( 2.906 -2.421 -2.056) 4.305 19.898 ( 4.703 5.629 0.095) 7.336 19.918 ( -4.874 0.171 2.812) 5.629 20.087 ( 2.172 0.591 -9.188) 9.459 20.285 ( -2.218 -3.185 4.319) 5.807 20.328 ( 8.508 -2.247 -1.317) 8.898 20.388 ( 5.175 -3.419 3.573) 7.158 20.426 ( 0.675 -3.210 -3.275) 4.635 20.514 ( -0.402 -7.713 -5.180) 9.300 21.144 ( 5.688 4.200 -4.621) 8.446 21.284 ( 6.110 -2.063 -13.171) 14.665 22.373 ( -0.939 0.162 0.179) 0.969 22.399 ( -0.427 -0.665 -0.175) 0.810 22.434 ( -0.558 0.251 -0.408) 0.736 22.465 ( 1.320 -1.437 0.920) 2.157 22.918 ( -0.115 2.953 0.277) 2.969 22.954 ( 0.908 3.439 -1.134) 3.733 23.037 ( -0.304 -2.800 0.673) 2.896 23.080 ( 0.881 -2.770 -1.259) 3.168 24.163 ( -1.549 12.212 8.238) 14.812 24.292 ( -0.329 10.328 -1.601) 10.456 24.736 ( -4.225 -6.098 8.183) 11.046 24.890 ( 2.567 -9.036 -1.809) 9.567 25.666 ( -10.313 9.647 0.006) 14.121 25.754 ( -8.136 24.792 7.137) 27.052 25.898 ( -5.419 1.413 -6.772) 8.787 26.135 ( 2.996 11.593 6.130) 13.452 26.464 ( 2.547 -6.289 20.619) 21.706 26.782 ( -1.785 -9.854 -0.271) 10.018 27.105 ( 6.935 8.879 0.941) 11.306 27.318 ( 1.826 9.864 0.775) 10.061 27.443 ( 1.674 7.375 -6.776) 10.154 27.549 ( 5.084 5.940 -5.603) 9.619 28.189 ( -0.253 -12.453 1.868) 12.595 28.291 ( 1.632 -9.014 -0.194) 9.162 28.519 ( -3.822 7.262 -4.340) 9.283 28.614 ( -4.946 -3.905 7.438) 9.749 28.732 ( 7.301 -4.945 -5.339) 10.308 28.906 ( 3.407 -5.484 5.663) 8.588 29.059 ( 0.405 -9.545 -2.581) 9.896 29.091 ( 1.216 -8.271 -1.445) 8.484 29.301 ( 3.797 0.596 -7.989) 8.866 29.377 ( 2.132 -2.291 -10.261) 10.728 30.500 ( -7.048 17.501 1.110) 18.900 30.708 ( 6.146 15.217 3.794) 16.844 30.932 ( -3.053 -5.369 13.396) 14.752 31.118 ( -4.274 -4.777 -6.964) 9.465 31.489 ( -1.493 5.946 0.009) 6.131 31.603 ( 4.060 -0.270 3.081) 5.104 32.231 ( -7.133 -0.803 1.251) 7.286 32.281 ( -0.988 -1.829 8.685) 8.930 32.606 ( 0.525 -1.267 3.876) 4.111 32.697 ( -2.493 1.299 -6.700) 7.266 32.767 ( -2.823 -3.045 -2.052) 4.632 32.864 ( 4.063 -8.993 -2.080) 10.085 33.692 ( -5.471 2.640 9.199) 11.023 33.859 ( -3.754 -6.643 7.111) 10.430 34.239 ( 6.812 0.816 -12.479) 14.240 34.340 ( 6.627 -4.888 -10.486) 13.333 37.674 ( -0.891 0.345 -0.636) 1.148 37.689 ( 1.383 -0.336 1.478) 2.052 37.945 ( 0.818 2.044 1.143) 2.480 38.032 ( 0.129 -1.885 -5.437) 5.756 39.137 ( -0.544 9.812 0.523) 9.841 39.179 ( 1.984 8.435 -0.394) 8.674 39.269 ( -2.776 6.021 -0.444) 6.645 39.387 ( -1.910 -2.409 0.168) 3.079 39.402 ( 3.460 5.546 1.371) 6.679 39.464 ( 1.297 -0.845 0.935) 1.809 39.550 ( 1.310 -0.447 1.331) 1.920 39.648 ( 3.653 -3.573 -0.600) 5.145 39.778 ( 0.743 -2.154 5.731) 6.167 39.842 ( -1.670 -0.940 -3.617) 4.093 39.958 ( -5.946 -9.063 -0.864) 10.873 40.051 ( 0.357 -6.197 2.636) 6.744 40.333 ( -0.300 -1.244 8.537) 8.633 40.402 ( -1.579 -2.946 0.096) 3.343 40.841 ( -5.304 -2.638 0.167) 5.926 40.920 ( -0.285 -1.896 -2.795) 3.389 41.698 ( -5.989 4.057 -5.624) 9.163 41.872 ( 7.184 6.549 3.471) 10.323 42.211 ( -4.802 -16.495 -2.993) 17.439 42.370 ( 5.570 -13.214 -3.638) 14.794 42.927 ( -9.152 6.690 7.205) 13.433 43.100 ( -9.955 -0.995 7.640) 12.588 43.504 ( -0.510 7.578 -5.250) 9.233 43.723 ( 7.748 -1.665 -4.646) 9.186 43.864 ( -2.329 6.381 4.900) 8.376 44.056 ( -2.542 -3.050 2.427) 4.653 44.821 ( 3.492 3.498 -4.046) 6.387 44.890 ( 1.336 1.777 -8.122) 8.421 ======================= Grid point 105 (55/80) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -11.080 1.541 -6.842) 13.113 1.241 ( -1.841 -3.992 -9.141) 10.143 1.844 ( 0.620 1.122 -0.889) 1.560 2.081 ( -2.222 -4.308 -5.231) 7.132 2.374 ( -7.962 8.387 -1.149) 11.621 2.502 ( -5.092 -3.141 3.987) 7.190 2.684 ( -1.562 -5.672 2.377) 6.345 2.720 ( -0.803 -2.729 4.942) 5.703 2.900 ( -0.899 3.317 -5.474) 6.464 3.069 ( 3.630 -1.880 -4.753) 6.269 3.215 ( -9.767 2.403 6.197) 11.814 3.291 ( -0.758 2.726 11.099) 11.454 3.385 ( -5.611 5.025 2.332) 7.885 3.521 ( -8.664 4.635 -6.790) 11.944 3.634 ( 4.915 0.119 3.159) 5.844 3.734 ( 5.385 -1.041 -2.783) 6.151 4.040 ( -1.760 -1.821 -4.600) 5.251 4.154 ( 7.079 -0.644 -0.173) 7.111 4.263 ( -2.663 8.887 0.075) 9.277 4.402 ( -2.910 12.157 -5.587) 13.692 4.495 ( -6.814 -2.820 0.076) 7.375 4.576 ( -1.787 4.815 -2.132) 5.561 4.820 ( -4.526 -4.048 -0.507) 6.093 4.851 ( -0.927 9.048 2.556) 9.447 5.016 ( 2.115 1.814 0.518) 2.834 5.078 ( 3.498 1.773 -1.694) 4.272 5.128 ( -0.311 -1.367 -0.561) 1.510 5.182 ( -3.787 5.700 15.623) 17.056 5.397 ( -0.124 -9.438 -2.557) 9.779 5.462 ( 3.790 -4.962 2.982) 6.919 5.659 ( -2.774 1.440 -1.699) 3.557 5.788 ( 2.538 4.244 5.464) 7.369 5.840 ( -1.389 7.205 12.023) 14.085 5.978 ( 4.311 2.146 2.316) 5.343 6.164 ( 5.291 10.382 15.326) 19.253 6.258 ( -6.259 5.534 3.299) 8.982 6.439 ( 0.673 2.227 -0.852) 2.477 6.634 ( -2.955 -15.338 -8.583) 17.823 6.826 ( -5.550 16.908 -6.779) 19.043 6.896 ( -1.893 10.551 -0.167) 10.721 7.029 ( 6.956 1.764 -4.618) 8.534 7.066 ( 0.571 4.541 3.501) 5.762 7.230 ( -3.916 0.547 -1.354) 4.179 7.369 ( -6.664 -3.152 2.521) 7.791 7.505 ( -0.437 1.073 12.151) 12.206 7.656 ( -1.157 -7.948 0.218) 8.034 7.821 ( -2.841 -11.479 10.755) 15.985 7.978 ( 0.817 6.352 2.756) 6.972 8.174 ( 2.362 5.193 -0.138) 5.707 8.283 ( 4.655 -8.370 -1.214) 9.654 8.511 ( 0.715 -12.904 -0.510) 12.934 8.515 ( 1.453 -17.099 -4.632) 17.775 8.678 ( -0.229 2.006 -8.787) 9.016 8.873 ( -0.577 -2.451 -3.928) 4.666 8.913 ( 4.877 -1.355 -10.433) 11.596 9.042 ( -6.159 1.569 -9.283) 11.250 9.301 ( 6.280 6.878 2.813) 9.730 9.469 ( -1.194 3.644 -2.788) 4.740 9.577 ( 4.335 0.201 2.045) 4.797 9.638 ( -0.969 -1.279 -2.618) 3.070 10.037 ( -0.787 -0.124 -1.021) 1.295 10.127 ( 0.565 1.306 -3.818) 4.075 10.252 ( -2.608 0.996 -3.443) 4.433 10.456 ( -3.137 -0.347 0.984) 3.306 11.073 ( 0.269 2.996 -0.811) 3.115 11.227 ( 3.957 2.588 2.952) 5.574 11.289 ( 0.239 0.863 1.276) 1.559 11.350 ( -0.923 -8.211 -0.136) 8.264 11.849 ( -0.075 -1.646 -1.467) 2.206 11.976 ( -1.893 0.865 1.995) 2.883 12.052 ( 3.908 -10.372 3.081) 11.504 12.134 ( 1.145 -8.327 3.344) 9.046 12.922 ( -1.555 3.055 -0.401) 3.451 13.040 ( 1.195 -1.225 1.314) 2.157 13.135 ( -3.844 -0.944 -1.386) 4.194 13.261 ( -0.578 -7.929 -2.714) 8.400 13.621 ( -2.159 1.398 -3.923) 4.691 13.688 ( -1.241 -0.776 -2.539) 2.930 13.863 ( 3.612 1.813 2.325) 4.663 13.877 ( 2.254 1.451 2.143) 3.432 14.412 ( 2.274 10.144 2.886) 10.789 14.678 ( -2.430 3.339 -5.263) 6.690 14.753 ( 3.163 10.446 5.362) 12.161 14.932 ( -0.306 -4.912 1.440) 5.127 15.017 ( -1.874 -7.845 1.585) 8.220 15.294 ( 5.150 -9.059 5.093) 11.598 15.542 ( -5.165 11.928 -3.173) 13.380 15.798 ( 2.770 0.545 3.063) 4.165 16.097 ( -3.477 -4.066 0.872) 5.421 16.272 ( -3.573 7.789 -5.848) 10.375 16.488 ( 4.169 5.859 8.319) 10.996 16.755 ( 8.022 20.066 8.829) 23.344 16.916 ( -9.562 -1.189 -19.682) 21.914 17.011 ( -2.617 -4.994 -1.079) 5.741 17.174 ( 2.209 7.162 13.230) 15.206 17.422 ( 5.568 1.258 6.335) 8.527 17.791 ( 4.715 -12.835 19.582) 23.884 17.891 ( 1.474 5.395 -6.047) 8.237 18.119 ( 1.054 -6.292 -2.760) 6.951 18.232 ( -4.509 -2.637 -7.592) 9.216 18.408 ( 2.563 -15.436 2.777) 15.891 18.424 ( 3.789 -10.125 4.712) 11.793 18.510 ( -3.611 6.157 2.203) 7.471 18.568 ( 0.261 -2.953 -0.008) 2.964 18.702 ( 2.252 -3.693 -2.767) 5.135 18.789 ( -5.287 -2.709 -2.421) 6.415 18.939 ( 0.885 2.160 0.315) 2.355 19.037 ( 6.347 -2.504 0.649) 6.854 19.172 ( -0.455 0.060 0.093) 0.468 19.196 ( -1.610 -1.918 0.072) 2.506 19.319 ( 1.067 1.482 -2.675) 3.239 19.395 ( -1.683 -3.416 -3.783) 5.368 19.563 ( 1.158 -2.495 2.415) 3.660 19.714 ( 1.141 -6.271 -1.567) 6.564 19.785 ( -2.423 5.467 -0.466) 5.998 20.031 ( 0.241 -2.561 -7.519) 7.947 20.050 ( 4.395 5.002 -0.081) 6.659 20.243 ( -5.426 1.415 -6.626) 8.680 20.271 ( -2.275 -2.587 2.446) 4.225 20.429 ( -2.076 -6.933 -5.943) 9.365 20.473 ( 6.078 -0.004 -0.853) 6.138 20.659 ( 12.203 -8.535 5.006) 15.710 21.098 ( 3.051 4.006 -15.876) 16.656 21.287 ( 1.994 -2.419 -10.516) 10.973 22.349 ( -1.617 -0.006 -0.061) 1.618 22.381 ( -0.598 -1.887 0.064) 1.980 22.431 ( 0.136 0.446 -1.021) 1.122 22.474 ( -0.484 -2.115 -0.691) 2.277 22.920 ( 0.048 2.850 0.422) 2.881 22.959 ( 0.835 3.262 -1.209) 3.578 23.035 ( -0.435 -2.683 0.474) 2.759 23.082 ( 0.841 -2.684 -1.596) 3.234 24.214 ( -1.966 10.318 9.694) 14.294 24.308 ( 2.932 9.015 0.340) 9.486 24.696 ( -3.095 4.847 3.580) 6.774 24.985 ( 2.836 -10.930 5.285) 12.467 25.435 ( -14.353 8.317 -1.395) 16.647 25.530 ( -11.986 10.775 -3.208) 16.433 25.883 ( 0.946 5.020 0.451) 5.128 26.165 ( -1.013 3.078 -0.100) 3.242 26.725 ( 3.021 1.703 23.035) 23.294 26.803 ( 0.865 -8.291 5.683) 10.089 27.244 ( 8.512 7.544 -1.232) 11.440 27.323 ( -2.246 17.916 -1.941) 18.160 27.431 ( 6.979 -0.280 -7.087) 9.950 27.567 ( 0.274 13.929 -5.587) 15.010 28.218 ( 1.220 -11.785 3.248) 12.285 28.306 ( -1.748 -2.122 2.665) 3.829 28.448 ( -0.334 -1.413 -3.439) 3.733 28.575 ( -4.429 -3.460 4.063) 6.935 28.811 ( 5.316 -9.638 -2.287) 11.242 28.967 ( -2.004 -4.165 0.683) 4.672 29.061 ( 6.424 -9.031 -5.420) 12.337 29.106 ( 0.259 -5.925 0.818) 5.987 29.264 ( 0.793 -0.841 -9.462) 9.532 29.307 ( 2.082 -1.988 -12.953) 13.269 30.432 ( -3.125 14.929 4.305) 15.848 30.851 ( -0.057 1.893 10.688) 10.854 30.899 ( -1.122 5.736 -9.826) 11.433 31.082 ( -1.208 -0.835 13.151) 13.233 31.514 ( 2.954 3.188 2.022) 4.794 31.652 ( -0.848 -3.330 -0.567) 3.483 32.051 ( -8.645 4.029 -4.273) 10.451 32.283 ( -5.746 -7.821 1.280) 9.789 32.629 ( -1.159 2.062 5.420) 5.914 32.648 ( 1.589 0.520 -2.145) 2.720 32.760 ( 1.665 -1.937 1.318) 2.874 32.916 ( 2.872 -9.337 -1.936) 9.958 33.698 ( -3.955 3.583 10.541) 11.815 33.855 ( -3.801 -4.627 6.790) 9.053 34.254 ( 7.036 1.251 -11.355) 13.417 34.377 ( 7.144 -5.329 -9.031) 12.688 37.657 ( 0.054 2.311 -0.715) 2.420 37.717 ( 0.130 -0.100 0.259) 0.306 37.949 ( -0.787 -0.200 0.417) 0.913 38.016 ( 2.500 -2.677 -3.089) 4.792 39.128 ( -0.733 9.734 0.196) 9.764 39.189 ( 0.176 9.260 -2.270) 9.536 39.267 ( 1.356 7.099 3.227) 7.915 39.329 ( -3.321 0.695 0.523) 3.433 39.450 ( -1.015 -0.405 -1.660) 1.987 39.534 ( 4.848 3.316 3.054) 6.620 39.620 ( 5.406 -1.271 1.254) 5.693 39.704 ( 3.193 -2.021 -0.879) 3.880 39.757 ( -5.898 -1.749 -3.845) 7.254 39.776 ( -1.090 -3.694 -3.268) 5.051 39.892 ( -0.023 -3.042 5.131) 5.965 40.076 ( -2.552 -0.841 4.682) 5.398 40.370 ( -0.063 -2.715 3.953) 4.796 40.504 ( 2.751 -7.285 11.009) 13.485 40.713 ( -4.252 -1.246 -1.273) 4.610 40.977 ( 3.245 -7.768 4.924) 9.753 41.607 ( -1.694 -0.676 0.432) 1.874 42.013 ( 4.281 4.753 2.789) 6.978 42.065 ( -4.557 -14.273 -4.825) 15.741 42.446 ( 1.982 -9.979 -0.374) 10.181 42.805 ( -8.276 9.298 2.246) 12.649 42.999 ( -7.186 0.480 4.399) 8.439 43.397 ( -6.418 9.769 -3.040) 12.078 43.718 ( -3.237 -4.194 -7.392) 9.095 43.901 ( 2.955 6.369 4.168) 8.165 44.090 ( 4.609 -3.197 1.980) 5.948 44.764 ( -4.803 4.075 -11.998) 13.551 44.781 ( -1.206 2.835 -10.765) 11.197 ======================= Grid point 106 (56/80) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 4.331 5.484 -6.353) 9.444 1.292 ( 14.808 -6.117 -8.437) 18.108 1.870 ( 4.951 9.246 -3.686) 11.117 2.009 ( 2.716 1.322 -4.966) 5.813 2.272 ( -1.887 20.423 -2.415) 20.652 2.508 ( 1.886 -2.205 2.982) 4.160 2.559 ( -9.399 1.245 4.431) 10.466 2.797 ( 4.182 -0.158 -3.864) 5.696 2.881 ( -3.098 1.647 2.122) 4.101 3.003 ( -8.959 11.472 -9.542) 17.405 3.106 ( -2.410 3.572 0.886) 4.399 3.298 ( -1.370 1.141 -1.943) 2.637 3.357 ( -3.586 7.069 3.009) 8.479 3.451 ( -1.698 1.951 17.533) 17.723 3.646 ( -3.129 5.041 -2.816) 6.568 3.800 ( 3.238 4.227 -0.069) 5.326 3.890 ( -4.741 6.245 -6.256) 10.031 4.149 ( -2.147 -5.445 1.071) 5.950 4.199 ( -4.899 9.990 -1.249) 11.197 4.347 ( -5.211 -7.146 3.833) 9.639 4.471 ( 9.029 7.679 -4.140) 12.555 4.643 ( -4.808 -5.549 8.830) 11.484 4.750 ( -5.130 -10.417 -1.742) 11.741 4.816 ( -1.056 3.518 3.907) 5.362 4.981 ( -3.142 -7.078 0.671) 7.773 5.059 ( -0.832 5.548 -2.916) 6.322 5.110 ( 1.031 -8.225 -2.048) 8.539 5.225 ( -5.555 -1.497 0.678) 5.793 5.341 ( 0.477 -1.263 -0.947) 1.649 5.570 ( 1.532 -13.498 -6.969) 15.268 5.679 ( 3.650 8.918 15.086) 17.901 5.846 ( -3.207 0.512 15.798) 16.128 5.925 ( 2.128 10.236 -2.866) 10.841 6.043 ( 0.041 0.111 6.033) 6.034 6.148 ( -8.996 2.969 7.727) 12.225 6.370 ( 0.647 8.062 2.715) 8.531 6.574 ( 6.688 -6.563 4.245) 10.287 6.604 ( 13.436 4.171 -1.657) 14.166 6.740 ( 0.486 18.353 -5.938) 19.296 6.853 ( -2.291 12.458 2.404) 12.893 7.068 ( -2.847 3.875 2.755) 5.542 7.096 ( 8.067 0.685 -10.142) 12.977 7.222 ( 1.424 0.364 3.418) 3.721 7.297 ( -1.441 3.012 -0.288) 3.351 7.494 ( -3.922 -4.716 -0.640) 6.168 7.671 ( 2.198 2.504 -2.884) 4.406 7.963 ( 1.267 -0.714 11.863) 11.952 8.029 ( -0.203 -11.778 14.159) 18.419 8.197 ( 6.135 8.626 0.228) 10.588 8.365 ( 0.658 0.602 -0.797) 1.196 8.454 ( 0.061 -12.509 -2.754) 12.809 8.570 ( -1.038 -11.486 -4.313) 12.313 8.622 ( 2.706 -2.770 -7.016) 8.014 8.755 ( -5.671 -4.782 -5.231) 9.077 8.853 ( 1.273 -3.713 -13.029) 13.608 8.930 ( 2.676 1.836 -6.191) 6.990 9.325 ( -4.381 -0.403 -0.527) 4.431 9.434 ( -1.052 4.544 -3.433) 5.791 9.604 ( 0.478 4.944 2.100) 5.393 9.687 ( 4.614 0.342 0.462) 4.649 9.992 ( -1.126 -2.182 -1.404) 2.829 10.128 ( 0.897 -6.188 0.231) 6.257 10.194 ( -2.995 -2.437 -3.398) 5.143 10.346 ( -5.333 -7.376 -3.773) 9.853 11.116 ( 3.441 2.659 2.994) 5.280 11.243 ( -3.754 0.853 -1.176) 4.025 11.300 ( -1.668 -4.040 0.831) 4.450 11.349 ( 3.528 -1.370 -0.233) 3.792 11.892 ( 3.157 0.974 1.746) 3.737 11.959 ( -0.994 3.217 0.546) 3.411 12.128 ( -0.370 -11.486 3.343) 11.968 12.175 ( 2.829 -6.942 1.033) 7.567 12.910 ( -0.017 3.034 1.287) 3.296 13.039 ( -4.461 -0.115 -2.947) 5.347 13.071 ( 0.595 -2.985 2.249) 3.784 13.204 ( -2.690 -6.904 -3.352) 8.133 13.595 ( 1.837 0.464 -1.304) 2.300 13.647 ( -0.460 -1.297 -2.950) 3.255 13.919 ( 1.461 3.167 2.029) 4.035 13.950 ( 3.480 1.475 1.009) 3.912 14.456 ( -1.033 7.458 1.852) 7.754 14.623 ( 0.679 6.990 -6.301) 9.435 14.880 ( 3.718 13.662 11.743) 18.395 14.938 ( 0.244 -5.390 1.047) 5.496 15.001 ( -0.998 -12.512 1.183) 12.608 15.300 ( -5.493 8.274 -4.347) 10.841 15.568 ( 4.688 -0.933 10.518) 11.553 15.831 ( -0.312 -7.483 -1.387) 7.617 16.039 ( -3.851 -1.683 2.138) 4.715 16.182 ( -2.845 6.486 -1.397) 7.219 16.489 ( -3.421 -10.813 -8.487) 14.166 16.594 ( -8.062 -1.871 -16.441) 18.406 16.973 ( 6.625 12.964 15.164) 21.022 17.143 ( 7.524 14.122 16.232) 22.793 17.388 ( 3.967 18.507 16.026) 24.801 17.509 ( 2.082 0.321 -0.596) 2.189 17.833 ( -2.481 10.494 -10.351) 14.947 17.976 ( -1.086 -7.311 2.456) 7.788 18.032 ( -2.137 -3.202 -1.326) 4.072 18.159 ( 1.981 -1.480 -3.407) 4.209 18.388 ( -6.473 4.496 -0.091) 7.882 18.477 ( 0.371 -9.761 6.904) 11.961 18.533 ( 2.965 -13.400 0.117) 13.725 18.566 ( -0.889 -1.534 0.241) 1.789 18.689 ( 1.994 -3.721 -0.297) 4.232 18.746 ( -2.459 -4.576 4.110) 6.624 18.955 ( 2.492 5.500 -3.741) 7.103 19.107 ( 0.347 -5.302 -1.350) 5.482 19.195 ( 2.157 -0.575 0.854) 2.390 19.228 ( 2.680 -1.348 -0.321) 3.017 19.296 ( 0.233 -2.080 -0.831) 2.252 19.410 ( 6.672 -2.229 -1.492) 7.190 19.589 ( 0.797 -4.470 -0.838) 4.617 19.663 ( -2.525 4.484 -1.613) 5.393 19.814 ( 0.444 1.294 -2.292) 2.669 19.939 ( -0.870 -0.325 -10.542) 10.583 20.051 ( -0.168 -0.070 1.377) 1.389 20.184 ( -0.548 -4.732 1.275) 4.932 20.272 ( 0.580 -3.268 -0.462) 3.351 20.323 ( -1.621 -8.651 -4.832) 10.041 20.585 ( 6.069 4.155 0.367) 7.364 20.811 ( -0.838 0.317 1.226) 1.518 21.047 ( 7.355 -9.360 -15.456) 19.509 21.136 ( -4.442 -6.449 -12.971) 15.152 22.337 ( -0.219 -0.315 1.015) 1.085 22.378 ( -0.136 -2.942 -0.192) 2.951 22.417 ( -0.470 -0.137 -0.734) 0.883 22.445 ( -1.469 -2.169 -1.375) 2.958 22.925 ( -0.042 2.640 0.442) 2.677 22.960 ( 0.521 3.052 -1.261) 3.343 23.033 ( -0.316 -2.473 0.526) 2.548 23.080 ( 0.620 -2.626 -1.762) 3.222 24.242 ( -4.929 7.542 8.806) 12.598 24.386 ( 4.492 5.104 1.448) 6.951 24.722 ( 0.284 12.694 8.087) 15.054 24.982 ( -5.186 3.067 -5.156) 7.930 25.242 ( -7.936 1.990 5.492) 9.854 25.418 ( 1.024 -2.224 2.914) 3.806 25.878 ( -1.181 2.644 -1.500) 3.261 26.152 ( 1.530 -0.409 -3.885) 4.195 26.863 ( -1.033 -0.718 10.348) 10.424 26.917 ( -3.548 9.765 16.688) 19.658 27.231 ( -4.036 15.503 -3.785) 16.460 27.347 ( 4.353 6.267 -0.710) 7.663 27.444 ( -4.924 19.760 -7.372) 21.658 27.546 ( 8.908 -3.828 -5.568) 11.180 28.269 ( -0.709 -13.187 2.194) 13.387 28.286 ( -4.455 5.515 9.751) 12.056 28.430 ( 2.268 -14.189 -4.973) 15.205 28.562 ( -2.581 -5.077 6.685) 8.782 28.827 ( -1.348 -6.661 -7.235) 9.926 28.927 ( 0.996 -3.458 -0.205) 3.604 29.092 ( 0.405 -6.424 -4.334) 7.759 29.121 ( 2.902 -2.651 -5.431) 6.704 29.199 ( 1.373 -2.078 -7.518) 7.919 29.259 ( 5.822 -5.102 -10.921) 13.386 30.467 ( 0.680 10.956 7.633) 13.370 30.708 ( -8.684 1.089 -2.389) 9.072 31.023 ( 6.337 4.710 6.799) 10.419 31.193 ( 0.775 -3.718 10.079) 10.771 31.523 ( -8.942 2.467 0.024) 9.276 31.631 ( 3.502 -3.621 2.727) 5.728 31.938 ( -0.957 4.424 -2.023) 4.958 32.127 ( -8.334 -6.864 -5.963) 12.334 32.621 ( -4.114 1.547 4.549) 6.326 32.720 ( 1.186 -1.894 4.889) 5.375 32.832 ( 7.951 0.359 -2.592) 8.370 32.932 ( 2.996 -4.391 -3.730) 6.494 33.729 ( -3.439 3.293 10.348) 11.391 33.851 ( -3.457 -3.083 6.915) 8.323 34.281 ( 6.921 2.211 -10.227) 12.546 34.409 ( 5.659 -4.313 -9.558) 11.916 37.655 ( -0.635 2.961 -0.062) 3.029 37.706 ( 0.565 2.442 -1.508) 2.925 37.934 ( -1.872 -1.636 0.998) 2.679 38.054 ( 4.603 -5.617 -2.962) 7.844 39.121 ( -0.254 8.719 0.456) 8.734 39.164 ( -0.989 9.251 -1.610) 9.442 39.284 ( -2.565 2.032 1.356) 3.543 39.345 ( 2.797 6.090 4.821) 8.256 39.415 ( -0.841 2.301 -1.298) 2.772 39.558 ( -2.807 -2.682 -1.090) 4.032 39.628 ( -3.561 -0.402 -3.018) 4.685 39.675 ( 1.205 1.921 -3.465) 4.141 39.753 ( -1.847 -4.153 1.005) 4.655 39.775 ( 3.815 2.569 -0.962) 4.699 39.969 ( 2.329 1.621 5.431) 6.128 40.086 ( 2.278 3.178 1.941) 4.365 40.442 ( 2.454 -4.208 7.651) 9.070 40.472 ( -6.560 5.983 1.470) 8.999 40.853 ( 10.859 -20.131 9.564) 24.792 41.053 ( 0.265 -16.779 1.449) 16.844 41.646 ( 1.532 2.161 8.974) 9.357 41.972 ( -2.677 -10.662 0.005) 10.993 42.101 ( 4.218 3.570 -0.134) 5.528 42.362 ( -7.262 -7.866 -6.970) 12.774 42.755 ( -1.823 11.226 5.517) 12.640 42.938 ( -1.673 5.696 -1.386) 6.096 43.303 ( -1.345 5.019 0.684) 5.241 43.571 ( -3.662 -4.276 -9.099) 10.700 44.003 ( 2.614 6.089 7.117) 9.725 44.196 ( 1.857 -3.367 5.037) 6.337 44.541 ( -5.462 5.509 -14.200) 16.181 44.632 ( -2.606 1.260 -14.420) 14.708 ======================= Grid point 107 (57/80) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 11.770 10.756 -3.596) 16.345 1.526 ( 22.165 -7.438 -13.407) 26.951 1.944 ( 6.433 12.243 -0.287) 13.833 2.111 ( 10.404 3.282 -7.591) 13.291 2.175 ( -9.821 22.991 -3.466) 25.240 2.471 ( -1.031 19.102 2.538) 19.298 2.584 ( 1.754 -0.552 5.517) 5.816 2.736 ( -5.501 3.136 1.362) 6.477 2.842 ( 8.358 6.331 -8.233) 13.331 2.986 ( 4.820 7.707 2.230) 9.360 3.054 ( -5.238 15.368 7.421) 17.852 3.312 ( 2.424 1.229 5.148) 5.822 3.371 ( 0.315 -0.725 3.973) 4.050 3.493 ( -3.298 -0.384 -1.772) 3.764 3.561 ( -6.431 4.324 6.093) 9.858 3.775 ( -4.110 1.287 -0.763) 4.374 3.916 ( 0.112 3.290 13.637) 14.028 4.104 ( -4.104 -7.372 -7.094) 11.023 4.142 ( -3.582 8.480 2.359) 9.503 4.358 ( 0.532 -6.920 5.868) 9.088 4.417 ( 1.386 -0.946 -3.433) 3.821 4.620 ( -6.066 -7.604 6.761) 11.846 4.739 ( -6.073 -3.639 -5.211) 8.791 4.835 ( 0.078 1.255 3.747) 3.952 4.907 ( -5.551 -3.270 18.200) 19.306 4.977 ( -0.315 3.535 -7.224) 8.049 5.111 ( -4.123 -7.594 0.501) 8.656 5.230 ( 9.341 -9.543 -2.165) 13.528 5.427 ( 6.141 -1.889 1.705) 6.647 5.539 ( 2.544 -6.110 -8.121) 10.477 5.731 ( -6.917 4.694 0.422) 8.370 5.872 ( -2.080 6.406 17.340) 18.602 5.974 ( -3.485 -2.625 -7.761) 8.904 6.037 ( -4.735 -1.967 9.075) 10.423 6.127 ( 1.122 3.676 3.299) 5.066 6.306 ( -5.128 1.061 -1.330) 5.403 6.620 ( -2.907 13.118 -0.690) 13.454 6.745 ( 3.714 18.384 -2.203) 18.884 6.856 ( 11.102 10.433 -0.192) 15.236 6.865 ( 2.058 -1.855 -0.629) 2.841 7.093 ( 3.397 1.005 1.452) 3.828 7.120 ( 6.061 2.926 -11.499) 13.324 7.311 ( 3.979 -0.612 3.638) 5.426 7.349 ( 7.246 11.014 0.321) 13.188 7.503 ( 3.460 -1.955 1.671) 4.311 7.597 ( 0.117 -6.838 -8.361) 10.802 8.051 ( -6.271 -6.886 2.134) 9.555 8.115 ( -3.640 4.090 13.106) 14.204 8.257 ( -6.358 7.177 -0.363) 9.596 8.363 ( 7.077 9.159 -2.560) 11.854 8.393 ( -1.451 -11.735 -5.437) 13.015 8.496 ( 2.696 -3.335 1.011) 4.406 8.661 ( 4.835 -4.831 -0.523) 6.855 8.700 ( 2.990 -17.225 -4.834) 18.138 8.827 ( 4.515 -4.803 -7.459) 9.954 8.920 ( 1.666 -5.997 -6.253) 8.823 9.271 ( -1.373 5.211 5.391) 7.622 9.363 ( -4.196 4.741 -3.632) 7.299 9.585 ( -4.496 5.325 0.736) 7.008 9.668 ( -5.212 4.904 -5.233) 8.865 10.023 ( 1.994 -4.656 2.786) 5.781 10.133 ( 1.291 -9.421 -4.947) 10.719 10.162 ( 1.936 -10.606 8.243) 13.571 10.266 ( -2.295 -7.499 -1.333) 7.955 11.152 ( -3.199 3.032 -1.889) 4.796 11.213 ( 2.707 2.976 2.665) 4.825 11.279 ( -2.124 -1.296 0.725) 2.592 11.396 ( 3.574 -5.882 -1.754) 7.102 11.877 ( -3.213 3.275 -0.759) 4.650 12.021 ( 4.944 1.385 0.586) 5.168 12.090 ( -4.563 -8.200 0.276) 9.388 12.238 ( 2.732 -8.268 -0.227) 8.711 12.937 ( -1.083 1.781 1.682) 2.678 12.953 ( -1.223 1.432 0.240) 1.898 13.098 ( -0.914 -4.345 3.190) 5.467 13.137 ( -1.393 -6.738 -1.526) 7.048 13.627 ( 2.294 0.110 -2.458) 3.364 13.652 ( 3.991 -1.381 -0.911) 4.320 13.942 ( 0.088 3.430 -0.376) 3.452 13.994 ( 1.719 1.099 -1.773) 2.704 14.422 ( -4.043 7.905 2.161) 9.138 14.578 ( 0.155 11.631 -4.233) 12.378 14.939 ( -0.658 -1.755 2.506) 3.129 14.972 ( 0.095 -14.936 -0.843) 14.960 15.080 ( -1.366 11.369 5.695) 12.789 15.172 ( -0.272 10.349 0.901) 10.392 15.719 ( -1.291 -4.035 1.313) 4.435 15.763 ( -0.869 -3.375 -0.442) 3.513 16.016 ( -2.835 -1.875 6.543) 7.373 16.199 ( 1.816 -3.439 8.229) 9.101 16.341 ( -2.788 -9.574 -9.433) 13.726 16.398 ( -1.809 -5.306 -6.872) 8.868 17.173 ( -1.251 12.861 12.379) 17.894 17.348 ( -4.857 16.673 3.689) 17.753 17.425 ( -0.564 10.659 4.410) 11.549 17.509 ( -5.024 10.809 -7.408) 14.034 17.748 ( 1.725 3.228 -0.677) 3.722 17.813 ( -0.594 9.991 -4.554) 10.996 18.067 ( -0.552 -7.178 -0.080) 7.199 18.187 ( 3.280 -1.901 -1.687) 4.149 18.394 ( 2.406 2.364 8.180) 8.848 18.519 ( -1.012 -5.620 -1.469) 5.896 18.529 ( 0.490 -8.422 0.375) 8.444 18.578 ( 0.181 -5.919 -0.452) 5.939 18.722 ( -1.849 2.037 5.739) 6.365 18.764 ( -0.858 -8.601 4.333) 9.669 18.971 ( 4.495 5.904 -4.505) 8.681 19.099 ( 1.696 1.516 -1.577) 2.768 19.216 ( 0.990 -0.387 -1.941) 2.213 19.250 ( 1.654 -0.792 -0.076) 1.835 19.301 ( -0.608 -2.227 -1.280) 2.640 19.493 ( 5.437 -13.232 -10.263) 17.606 19.564 ( -3.493 5.574 -2.466) 7.025 19.650 ( 3.995 1.310 1.130) 4.354 19.753 ( -1.962 5.805 -2.199) 6.511 19.867 ( 0.951 -2.781 -6.128) 6.796 20.129 ( -0.407 -2.749 -2.843) 3.975 20.147 ( 2.316 -6.530 4.259) 8.133 20.229 ( -0.941 -4.097 0.734) 4.267 20.397 ( 6.743 -7.705 0.656) 10.261 20.621 ( -6.312 -0.143 -3.862) 7.401 20.717 ( 0.161 5.628 -6.990) 8.976 20.841 ( -9.630 -7.501 -5.970) 13.588 21.201 ( 11.606 -19.472 -5.744) 23.385 22.353 ( 0.538 -0.688 1.459) 1.701 22.365 ( -0.383 -1.491 -0.763) 1.718 22.409 ( -1.247 -1.301 -0.456) 1.859 22.423 ( 0.560 -2.075 1.044) 2.389 22.925 ( -0.335 2.586 0.193) 2.615 22.957 ( 0.280 2.935 -1.029) 3.123 23.033 ( -0.334 -2.448 0.513) 2.524 23.074 ( 0.431 -2.530 -1.539) 2.993 24.201 ( -6.558 7.627 5.911) 11.667 24.433 ( -1.154 -1.732 0.302) 2.104 24.764 ( -5.046 16.658 -0.069) 17.405 24.904 ( 3.755 7.520 5.199) 9.883 25.231 ( 0.610 4.179 6.106) 7.424 25.605 ( 11.438 -10.396 11.070) 19.012 25.814 ( -3.723 4.036 -3.101) 6.306 26.130 ( 0.950 -2.008 -7.615) 7.932 26.824 ( -11.837 13.758 4.507) 18.700 26.968 ( -5.804 10.278 15.199) 19.244 27.179 ( -0.758 11.361 1.206) 11.450 27.262 ( -6.568 20.214 -6.957) 22.364 27.389 ( 1.209 3.304 -2.101) 4.098 27.627 ( 5.287 -3.274 -5.847) 8.536 28.249 ( -3.700 -5.576 5.585) 8.716 28.291 ( -4.874 -6.780 6.806) 10.773 28.456 ( 3.314 -16.659 -0.030) 16.985 28.583 ( -3.033 -10.491 7.470) 13.231 28.711 ( -1.395 1.833 -7.454) 7.802 28.976 ( 2.775 -1.624 -1.151) 3.415 29.017 ( 0.784 -4.847 -12.342) 13.283 29.090 ( -1.025 -3.574 -1.737) 4.104 29.204 ( 4.950 -2.598 -5.915) 8.139 29.301 ( 7.492 -5.510 -7.741) 12.101 30.540 ( -3.079 6.652 4.251) 8.473 30.595 ( -1.057 6.887 4.943) 8.543 31.189 ( 3.106 -3.266 2.082) 4.964 31.196 ( -2.671 -0.961 -1.587) 3.252 31.399 ( -8.349 0.299 13.195) 15.618 31.675 ( -2.402 -6.844 0.546) 7.274 31.923 ( -0.214 4.786 -1.921) 5.161 32.040 ( 4.229 -0.223 1.917) 4.648 32.575 ( -4.853 0.699 2.340) 5.433 32.719 ( -3.489 -5.939 3.807) 7.870 32.947 ( 5.629 2.337 -4.420) 7.529 32.984 ( 8.585 1.197 -6.495) 10.832 33.748 ( -4.154 2.437 8.908) 10.126 33.859 ( -2.827 -3.888 7.138) 8.606 34.299 ( 5.451 2.533 -10.777) 12.340 34.397 ( 3.887 -2.650 -11.458) 12.386 37.629 ( -1.725 3.089 0.141) 3.541 37.728 ( 2.500 2.245 -1.030) 3.515 37.904 ( -2.172 -0.709 0.501) 2.339 38.102 ( 4.256 -6.871 -4.293) 9.152 39.129 ( 0.200 7.847 1.215) 7.943 39.138 ( -0.658 9.164 -0.387) 9.196 39.256 ( -2.404 2.277 2.202) 3.977 39.407 ( 1.206 2.060 -1.503) 2.821 39.428 ( 0.601 4.455 4.356) 6.260 39.497 ( -2.152 1.534 1.207) 2.905 39.570 ( -1.826 -0.591 -0.252) 1.936 39.657 ( 0.694 1.193 -3.654) 3.906 39.690 ( -5.181 -1.315 0.614) 5.380 39.783 ( -1.451 -1.315 -1.587) 2.521 39.994 ( -1.620 5.632 1.677) 6.095 40.168 ( 4.507 5.730 -2.544) 7.721 40.396 ( -4.166 -3.598 3.417) 6.479 40.628 ( 10.649 0.698 5.184) 11.864 40.972 ( -5.308 -19.088 -7.054) 21.031 41.096 ( 7.752 -21.130 2.914) 22.695 41.797 ( 3.851 3.312 12.195) 13.210 41.857 ( -8.691 -0.858 -5.152) 10.140 42.177 ( -0.022 -4.615 -4.584) 6.505 42.306 ( 11.272 -8.743 6.254) 15.576 42.722 ( -5.797 14.209 1.663) 15.435 42.972 ( 5.541 5.405 1.179) 7.830 43.373 ( 4.089 1.206 6.509) 7.781 43.485 ( 3.177 -3.125 -7.589) 8.801 44.054 ( -7.320 4.489 4.075) 9.505 44.147 ( -7.934 1.133 5.225) 9.567 44.444 ( 4.939 3.511 -9.645) 11.390 44.548 ( 6.201 -0.112 -4.448) 7.633 ======================= Grid point 108 (58/80) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 14.903 9.811 -1.775) 17.930 1.765 ( 18.266 -10.367 -15.074) 25.853 1.943 ( -0.460 11.639 -11.476) 16.352 2.077 ( -0.646 22.847 11.420) 25.551 2.166 ( -0.698 1.304 -2.211) 2.660 2.524 ( -0.911 5.465 6.050) 8.204 2.674 ( 3.329 2.958 1.146) 4.598 2.696 ( -0.540 1.500 5.608) 5.830 2.930 ( 7.321 3.785 -7.909) 11.422 3.069 ( -0.432 16.108 9.377) 18.643 3.181 ( 8.907 12.223 8.907) 17.552 3.319 ( -4.913 3.412 -6.935) 9.159 3.419 ( -1.010 -0.703 9.200) 9.282 3.511 ( -1.726 -6.333 9.376) 11.445 3.530 ( 3.441 5.811 6.576) 9.426 3.711 ( -3.232 -5.080 0.948) 6.095 3.869 ( -4.071 -3.108 -7.731) 9.274 4.051 ( -2.890 15.484 1.199) 15.797 4.107 ( -1.572 -4.153 8.232) 9.353 4.391 ( -4.651 -6.318 6.720) 10.330 4.473 ( -0.717 -7.777 0.969) 7.870 4.572 ( -2.412 -4.979 4.336) 7.029 4.704 ( 4.942 2.857 11.013) 12.404 4.798 ( -4.431 -0.302 1.372) 4.649 4.949 ( -0.674 2.119 3.390) 4.054 5.032 ( -0.927 6.592 6.590) 9.367 5.100 ( 1.332 -12.229 -0.679) 12.320 5.290 ( 3.622 -5.717 -5.020) 8.426 5.481 ( -5.496 1.470 5.510) 7.920 5.566 ( 7.362 1.168 -5.309) 9.152 5.622 ( -2.063 -2.309 -2.709) 4.114 5.817 ( -4.326 -2.866 -10.743) 11.931 5.956 ( -6.084 5.129 11.765) 14.203 6.001 ( -5.659 3.016 3.876) 7.493 6.055 ( -2.914 7.803 -7.692) 11.337 6.324 ( 2.781 -6.809 7.428) 10.453 6.590 ( 0.486 12.114 -2.593) 12.398 6.737 ( -1.450 20.772 -3.695) 21.148 6.850 ( 3.293 -1.410 -6.641) 7.546 6.994 ( 4.725 9.007 -3.739) 10.836 7.074 ( 1.432 6.880 -9.995) 12.218 7.164 ( 5.578 -7.299 -10.499) 13.950 7.341 ( -1.877 7.663 -0.903) 7.941 7.440 ( 4.400 -5.503 4.745) 8.494 7.599 ( 3.500 -0.170 3.405) 4.886 7.658 ( 1.781 -1.866 6.984) 7.445 7.887 ( -6.724 -6.663 -4.041) 10.293 7.998 ( -12.160 4.757 2.278) 13.255 8.222 ( -0.455 -18.463 -5.076) 19.153 8.295 ( -5.344 7.742 8.082) 12.402 8.525 ( 11.348 6.691 -7.506) 15.162 8.602 ( 5.409 -10.703 -3.570) 12.512 8.710 ( 5.263 -4.351 2.644) 7.323 8.732 ( 1.808 -6.096 -7.250) 9.644 8.877 ( 5.635 -5.801 -0.774) 8.125 8.910 ( 3.562 -10.896 -1.503) 11.561 9.248 ( -5.008 10.302 -0.033) 11.455 9.403 ( 6.358 8.522 8.628) 13.693 9.484 ( -6.102 4.370 -3.245) 8.177 9.543 ( -2.754 6.265 0.500) 6.861 10.058 ( 0.385 -5.383 -1.500) 5.601 10.117 ( 1.086 -3.881 0.609) 4.076 10.199 ( -3.653 -7.942 -1.493) 8.868 10.360 ( 6.942 -9.797 11.231) 16.441 11.089 ( -1.740 5.309 -2.768) 6.235 11.231 ( -2.905 1.939 -0.991) 3.630 11.248 ( -0.579 0.883 1.211) 1.607 11.441 ( 2.586 -8.379 -2.383) 9.087 11.835 ( -0.236 1.728 -0.178) 1.753 12.001 ( -4.762 -5.257 -0.463) 7.108 12.082 ( 1.854 -0.774 -1.268) 2.376 12.238 ( -1.250 -9.211 -3.388) 9.894 12.908 ( -0.427 2.889 1.062) 3.107 12.993 ( 0.655 2.069 2.791) 3.536 13.091 ( -1.896 -7.190 3.984) 8.435 13.155 ( 1.843 -6.873 2.673) 7.602 13.655 ( 3.532 1.242 -2.934) 4.756 13.712 ( 3.335 -1.786 -0.987) 3.910 13.915 ( -1.470 2.901 -3.079) 4.478 13.971 ( -1.055 0.227 -4.517) 4.644 14.385 ( -2.421 10.475 3.426) 11.283 14.570 ( 1.527 14.279 -1.473) 14.436 14.907 ( -4.751 3.281 -1.545) 5.977 14.969 ( 0.986 -10.535 -1.767) 10.728 15.014 ( -0.896 0.785 0.882) 1.482 15.262 ( -0.572 1.794 4.765) 5.124 15.601 ( -3.260 1.455 -5.142) 6.260 15.760 ( -2.889 -2.998 1.221) 4.339 16.043 ( -1.686 4.279 5.072) 6.847 16.234 ( -1.439 -2.051 2.219) 3.347 16.413 ( 3.019 -3.542 8.006) 9.260 16.422 ( 8.602 -11.174 9.421) 16.959 17.062 ( -9.281 10.834 -11.570) 18.368 17.085 ( -12.021 8.967 -9.452) 17.727 17.409 ( -4.845 1.016 -0.743) 5.006 17.434 ( -2.563 6.772 2.750) 7.746 17.733 ( 1.643 16.362 -2.752) 16.673 17.939 ( 1.776 1.745 7.313) 7.725 18.096 ( 5.010 -2.751 4.400) 7.213 18.223 ( 2.507 -2.539 -2.876) 4.583 18.400 ( -5.293 -0.847 -4.593) 7.059 18.507 ( -0.782 -10.541 -2.034) 10.764 18.547 ( 0.867 -6.781 3.497) 7.679 18.563 ( -1.555 -4.140 -0.039) 4.423 18.712 ( -2.857 -6.408 -4.264) 8.210 18.766 ( -0.822 3.727 8.411) 9.236 19.017 ( 3.102 3.081 -3.738) 5.752 19.116 ( -1.721 7.948 -5.253) 9.681 19.210 ( 0.480 1.681 -0.684) 1.877 19.250 ( 3.663 0.714 -1.049) 3.877 19.309 ( 1.675 -1.905 -0.089) 2.538 19.470 ( 7.661 -6.766 -10.521) 14.669 19.528 ( -0.364 -0.562 -0.823) 1.061 19.692 ( -3.834 -1.904 -3.115) 5.294 19.727 ( 0.779 -1.117 0.540) 1.465 19.839 ( 4.527 -4.762 -0.408) 6.583 20.179 ( 3.132 0.196 0.767) 3.231 20.196 ( 3.508 3.494 -0.973) 5.046 20.253 ( -0.367 -5.031 4.468) 6.738 20.370 ( -8.858 -0.182 -5.065) 10.206 20.540 ( 6.194 -9.956 -4.956) 12.730 20.570 ( -7.511 -9.471 -3.955) 12.718 20.827 ( 3.822 6.814 4.174) 8.858 21.320 ( 7.623 -19.630 -6.391) 22.007 22.361 ( 0.413 -0.787 0.237) 0.920 22.374 ( 0.530 -1.142 0.780) 1.481 22.400 ( -0.015 0.055 1.121) 1.123 22.447 ( 0.472 -2.063 1.613) 2.661 22.920 ( -0.269 2.696 0.093) 2.711 22.953 ( 0.243 3.111 -0.858) 3.237 23.031 ( -0.286 -2.555 0.591) 2.638 23.071 ( 0.557 -2.521 -1.037) 2.783 24.149 ( -4.643 9.028 4.946) 11.293 24.383 ( -3.128 0.759 -0.146) 3.222 24.667 ( -3.663 9.910 -1.064) 10.619 25.026 ( 1.480 -2.890 2.956) 4.391 25.384 ( 7.195 11.596 14.354) 19.806 25.736 ( -2.697 10.855 1.923) 11.349 25.922 ( 12.493 -8.958 9.103) 17.866 26.038 ( -2.371 2.067 -8.412) 8.981 26.620 ( -15.505 12.467 2.357) 20.035 26.941 ( -9.018 7.388 11.843) 16.618 27.089 ( -5.191 10.172 -5.803) 12.810 27.237 ( 2.999 15.092 0.477) 15.395 27.364 ( -1.018 7.938 -1.561) 8.154 27.638 ( 2.311 -3.024 -5.307) 6.531 28.234 ( -4.310 -9.338 5.466) 11.646 28.268 ( -1.907 -12.583 2.393) 12.950 28.520 ( -0.519 -11.754 8.735) 14.654 28.575 ( 1.426 -4.264 -2.975) 5.392 28.705 ( 1.660 -0.361 2.870) 3.335 28.868 ( -3.568 2.310 -9.625) 10.521 29.024 ( 1.414 -8.338 -1.490) 8.587 29.093 ( 4.062 -5.276 -4.658) 8.126 29.241 ( 5.393 -0.838 -5.887) 8.028 29.363 ( 6.718 -4.130 -6.670) 10.328 30.503 ( -1.719 9.221 3.274) 9.935 30.679 ( 0.546 9.704 7.306) 12.159 30.991 ( -10.223 2.145 -3.159) 10.913 31.296 ( -0.578 -6.481 1.059) 6.593 31.401 ( -1.890 -0.985 9.042) 9.290 31.620 ( -2.822 -6.382 0.867) 7.032 31.983 ( 5.580 7.390 3.531) 9.911 32.178 ( 4.602 -2.329 7.722) 9.286 32.517 ( -2.685 0.463 1.772) 3.250 32.715 ( -0.696 -6.382 3.517) 7.321 32.953 ( 0.932 2.296 -6.229) 6.704 33.020 ( 3.147 1.510 -11.108) 11.643 33.743 ( -5.259 1.790 8.345) 10.025 33.869 ( -3.307 -6.190 6.723) 9.719 34.273 ( 4.168 2.282 -13.092) 13.928 34.361 ( 4.201 -2.091 -12.049) 12.930 37.616 ( -0.227 2.540 1.126) 2.788 37.746 ( -0.067 -1.553 -0.811) 1.753 37.885 ( 0.166 3.439 0.172) 3.448 38.115 ( 2.243 -5.915 -5.734) 8.538 39.136 ( 0.212 9.430 0.406) 9.441 39.144 ( 0.076 8.230 0.975) 8.288 39.251 ( -0.725 1.631 3.494) 3.924 39.410 ( 1.024 1.236 -2.944) 3.353 39.425 ( -1.968 4.122 1.718) 4.880 39.495 ( -1.834 3.194 1.485) 3.971 39.546 ( -2.959 -0.487 1.545) 3.373 39.628 ( -0.836 -2.309 -1.873) 3.089 39.680 ( 2.463 -1.066 4.015) 4.829 39.734 ( -1.297 -2.062 0.135) 2.440 39.973 ( -1.871 3.181 0.295) 3.702 40.203 ( 2.536 5.740 -1.479) 6.447 40.336 ( -6.083 -6.547 1.543) 9.069 40.721 ( -5.903 -10.947 -7.797) 14.679 40.860 ( 4.730 -2.316 -5.059) 7.303 41.128 ( -1.580 -13.277 -4.712) 14.177 41.690 ( -2.795 0.845 -4.524) 5.384 41.948 ( 4.738 -4.284 4.733) 7.949 42.151 ( -0.965 -4.209 -5.464) 6.964 42.488 ( 1.026 -10.743 0.599) 10.808 42.771 ( 7.326 11.978 10.605) 17.595 43.082 ( 4.579 -0.578 4.471) 6.426 43.479 ( 1.207 1.728 3.995) 4.516 43.542 ( 7.882 -0.737 -4.717) 9.215 43.910 ( -7.495 7.098 3.385) 10.863 44.084 ( -4.960 -2.602 4.238) 7.024 44.555 ( 10.533 4.506 1.673) 11.577 44.689 ( 9.660 -1.037 1.411) 9.817 ======================= Grid point 109 (59/80) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 8.045 -3.554 -12.300) 15.121 1.703 ( 8.045 3.554 -12.300) 15.121 1.930 ( -8.441 -7.748 -2.802) 11.795 1.930 ( -8.441 7.748 -2.802) 11.795 2.495 ( -0.675 -7.516 10.301) 12.769 2.495 ( -0.675 7.516 10.301) 12.769 2.741 ( -4.822 -2.510 1.984) 5.787 2.741 ( -4.822 2.510 1.984) 5.787 3.077 ( 1.453 -10.756 -6.521) 12.662 3.077 ( 1.453 10.756 -6.521) 12.662 3.294 ( -2.680 -3.597 4.702) 6.499 3.294 ( -2.680 3.597 4.702) 6.499 3.447 ( 2.584 -5.182 -2.330) 6.242 3.447 ( 2.584 5.182 -2.330) 6.242 3.568 ( -3.656 -0.848 0.882) 3.856 3.568 ( -3.656 0.848 0.882) 3.856 4.061 ( 1.152 -2.032 3.365) 4.097 4.061 ( 1.152 2.032 3.365) 4.097 4.301 ( -0.148 -7.979 12.159) 14.544 4.301 ( -0.148 7.979 12.159) 14.544 4.547 ( 3.362 -6.719 8.239) 11.150 4.547 ( 3.362 6.719 8.239) 11.150 4.835 ( 2.947 -3.517 3.567) 5.811 4.835 ( 2.947 3.517 3.567) 5.811 4.997 ( -0.456 -1.092 4.054) 4.223 4.997 ( -0.456 1.092 4.054) 4.223 5.186 ( 3.813 -11.629 -2.718) 12.536 5.186 ( 3.813 11.629 -2.718) 12.536 5.518 ( -6.422 -2.093 0.625) 6.783 5.518 ( -6.422 2.093 0.625) 6.783 5.713 ( 4.197 -7.348 -5.158) 9.910 5.713 ( 4.197 7.348 -5.158) 9.910 5.921 ( -6.171 -1.824 -0.623) 6.465 5.921 ( -6.171 1.824 -0.623) 6.465 6.173 ( -2.701 -10.056 7.364) 12.753 6.173 ( -2.701 10.056 7.364) 12.753 6.729 ( -1.034 -8.572 -4.686) 9.824 6.729 ( -1.034 8.572 -4.686) 9.824 6.922 ( 0.843 -6.528 -14.635) 16.047 6.922 ( 0.843 6.528 -14.635) 16.047 7.311 ( -1.925 -12.516 3.122) 13.042 7.311 ( -1.925 12.516 3.122) 13.042 7.335 ( -2.671 -9.873 2.236) 10.469 7.335 ( -2.671 9.873 2.236) 10.469 7.620 ( 0.081 -12.142 -2.991) 12.505 7.620 ( 0.081 12.142 -2.991) 12.505 7.768 ( -1.274 -6.245 8.206) 10.390 7.768 ( -1.274 6.245 8.206) 10.390 8.161 ( -0.905 -15.265 -2.055) 15.429 8.161 ( -0.905 15.265 -2.055) 15.429 8.449 ( -4.900 -10.137 -6.541) 13.021 8.449 ( -4.900 10.137 -6.541) 13.021 8.785 ( 9.237 -4.782 -7.805) 13.004 8.785 ( 9.237 4.782 -7.805) 13.004 8.961 ( 5.518 -1.763 2.030) 6.139 8.961 ( 5.518 1.763 2.030) 6.139 9.438 ( -2.612 -10.585 2.833) 11.264 9.438 ( -2.612 10.585 2.833) 11.264 9.495 ( 0.658 -6.508 -1.471) 6.705 9.495 ( 0.658 6.508 -1.471) 6.705 10.066 ( 2.086 -0.918 0.563) 2.347 10.066 ( 2.086 0.918 0.563) 2.347 10.385 ( 5.829 -9.766 10.137) 15.235 10.385 ( 5.829 9.766 10.137) 15.235 11.140 ( -2.904 -5.525 -2.417) 6.693 11.140 ( -2.904 5.525 -2.417) 6.693 11.285 ( 0.294 -6.361 -1.326) 6.505 11.285 ( 0.294 6.361 -1.326) 6.505 11.868 ( -1.274 -2.976 -0.499) 3.275 11.868 ( -1.274 2.976 -0.499) 3.275 12.057 ( -2.308 -1.289 -2.757) 3.820 12.057 ( -2.308 1.289 -2.757) 3.820 12.965 ( -0.800 -1.766 1.653) 2.548 12.965 ( -0.800 1.766 1.653) 2.548 13.136 ( 2.598 -2.621 4.330) 5.690 13.136 ( 2.598 2.621 4.330) 5.690 13.715 ( 2.099 -1.437 -1.044) 2.750 13.715 ( 2.099 1.437 -1.044) 2.750 13.884 ( -2.071 -0.979 -5.345) 5.815 13.884 ( -2.071 0.979 -5.345) 5.815 14.661 ( 2.072 -11.585 4.386) 12.560 14.661 ( 2.072 11.585 4.386) 12.560 14.866 ( -5.390 -11.244 -2.529) 12.723 14.866 ( -5.390 11.244 -2.529) 12.723 15.023 ( -0.029 -8.310 -2.737) 8.749 15.023 ( -0.029 8.310 -2.737) 8.749 15.701 ( 0.175 -4.047 1.495) 4.318 15.701 ( 0.175 4.047 1.495) 4.318 16.271 ( 1.891 -9.597 1.646) 9.919 16.271 ( 1.891 9.597 1.646) 9.919 16.497 ( 3.672 -13.990 19.363) 24.169 16.497 ( 3.672 13.990 19.363) 24.169 16.940 ( -2.159 -6.480 -7.243) 9.955 16.940 ( -2.159 6.480 -7.243) 9.955 17.441 ( -4.803 -8.714 -0.644) 9.971 17.441 ( -4.803 8.714 -0.644) 9.971 17.738 ( -8.388 -17.614 -17.105) 25.946 17.738 ( -8.388 17.614 -17.105) 25.946 18.131 ( 2.116 -8.233 -0.257) 8.504 18.131 ( 2.116 8.233 -0.257) 8.504 18.274 ( -1.427 -3.909 -1.714) 4.500 18.274 ( -1.427 3.909 -1.714) 4.500 18.549 ( 1.047 -2.858 3.892) 4.941 18.549 ( 1.047 2.858 3.892) 4.941 18.795 ( -1.110 -7.110 4.147) 8.305 18.795 ( -1.110 7.110 4.147) 8.305 19.031 ( -2.729 -1.416 -8.492) 9.032 19.031 ( -2.729 1.416 -8.492) 9.032 19.249 ( -1.779 -2.850 1.388) 3.636 19.249 ( -1.779 2.850 1.388) 3.636 19.366 ( 4.804 -6.172 -4.268) 8.910 19.366 ( 4.804 6.172 -4.268) 8.910 19.604 ( 0.372 -4.360 -0.857) 4.459 19.604 ( 0.372 4.360 -0.857) 4.459 19.863 ( 7.262 -8.221 5.349) 12.203 19.863 ( 7.262 8.221 5.349) 12.203 20.141 ( -4.084 -1.582 -3.769) 5.778 20.141 ( -4.084 1.582 -3.769) 5.778 20.295 ( -0.259 -2.648 0.683) 2.747 20.295 ( -0.259 2.648 0.683) 2.747 20.449 ( 3.575 -3.147 -3.633) 5.990 20.449 ( 3.575 3.147 -3.633) 5.990 21.132 ( 8.016 -9.102 -2.128) 12.314 21.132 ( 8.016 9.102 -2.128) 12.314 22.379 ( 0.956 -0.571 0.841) 1.395 22.379 ( 0.956 0.571 0.841) 1.395 22.433 ( 0.137 -1.033 0.976) 1.428 22.433 ( 0.137 1.033 0.976) 1.428 22.977 ( -0.148 -3.110 0.629) 3.176 22.977 ( -0.148 3.110 0.629) 3.176 23.016 ( 0.657 -3.273 -1.030) 3.493 23.016 ( 0.657 3.273 -1.030) 3.493 24.315 ( -1.552 -7.334 6.989) 10.249 24.315 ( -1.552 7.334 6.989) 10.249 24.770 ( -3.756 -10.395 -3.480) 11.588 24.770 ( -3.756 10.395 -3.480) 11.588 25.937 ( 3.661 -7.293 1.735) 8.342 25.937 ( 3.661 7.293 1.735) 8.342 25.989 ( 2.668 -9.307 13.742) 16.810 25.989 ( 2.668 9.307 13.742) 16.810 26.625 ( -13.965 -16.210 2.899) 21.592 26.625 ( -13.965 16.210 2.899) 21.592 27.270 ( 2.119 -10.254 -9.177) 13.923 27.270 ( 2.119 10.254 -9.177) 13.923 27.637 ( 1.214 -3.018 -0.238) 3.262 27.637 ( 1.214 3.018 -0.238) 3.262 27.996 ( 1.836 -4.909 0.188) 5.245 27.996 ( 1.836 4.909 0.188) 5.245 28.555 ( -1.291 -1.590 8.543) 8.785 28.555 ( -1.291 1.590 8.543) 8.785 28.822 ( 2.379 -2.630 -2.428) 4.298 28.822 ( 2.379 2.630 -2.428) 4.298 28.947 ( -0.175 -4.831 -3.309) 5.858 28.947 ( -0.175 4.831 -3.309) 5.858 29.332 ( 5.567 -3.485 -7.646) 10.080 29.332 ( 5.567 3.485 -7.646) 10.080 30.735 ( -0.654 -8.025 10.959) 13.598 30.735 ( -0.654 8.025 10.959) 13.598 31.035 ( -4.456 -14.432 -5.710) 16.148 31.035 ( -4.456 14.432 -5.710) 16.148 31.529 ( 1.252 -2.756 5.355) 6.152 31.529 ( 1.252 2.756 5.355) 6.152 32.214 ( 1.543 -4.174 6.391) 7.787 32.214 ( 1.543 4.174 6.391) 7.787 32.596 ( 0.692 -7.038 3.566) 7.920 32.596 ( 0.692 7.038 3.566) 7.920 32.894 ( -3.816 -1.029 -10.632) 11.343 32.894 ( -3.816 1.029 -10.632) 11.343 33.764 ( -4.669 -3.488 6.976) 9.090 33.764 ( -4.669 3.488 6.976) 9.090 34.279 ( 5.012 -2.541 -13.235) 14.379 34.279 ( 5.012 2.541 -13.235) 14.379 37.674 ( -0.403 -2.211 0.897) 2.420 37.674 ( -0.403 2.211 0.897) 2.420 38.000 ( 1.523 -4.763 -3.232) 5.954 38.000 ( 1.523 4.763 -3.232) 5.954 39.268 ( 0.598 -2.854 2.257) 3.687 39.268 ( 0.598 2.854 2.257) 3.687 39.329 ( -0.885 -7.682 0.301) 7.739 39.329 ( -0.885 7.682 0.301) 7.739 39.459 ( -1.558 -2.903 -0.190) 3.300 39.459 ( -1.558 2.903 -0.190) 3.300 39.559 ( -0.013 -4.370 -0.686) 4.423 39.559 ( -0.013 4.370 -0.686) 4.423 39.746 ( 3.003 -4.613 4.464) 7.087 39.746 ( 3.003 4.613 4.464) 7.087 39.978 ( -5.263 -6.358 -3.200) 8.852 39.978 ( -5.263 6.358 -3.200) 8.852 40.405 ( -3.819 -5.605 -1.328) 6.911 40.405 ( -3.819 5.605 -1.328) 6.911 40.893 ( -1.355 -4.934 -2.960) 5.911 40.893 ( -1.355 4.934 -2.960) 5.911 41.888 ( 9.060 -12.536 1.803) 15.572 41.888 ( 9.060 12.536 1.803) 15.572 42.134 ( -8.027 -15.354 -7.549) 18.899 42.134 ( -8.027 15.354 -7.549) 18.899 43.083 ( -3.140 -6.272 10.309) 12.469 43.083 ( -3.140 6.272 10.309) 12.469 43.580 ( 6.948 -3.800 -6.238) 10.081 43.580 ( 6.948 3.800 -6.238) 10.081 43.999 ( -4.242 -5.104 7.495) 10.011 43.999 ( -4.242 5.104 7.495) 10.011 44.804 ( 8.397 -3.487 -0.485) 9.105 44.804 ( 8.397 3.487 -0.485) 9.105 ======================= Grid point 111 (60/80) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -14.029 -2.618 -12.274) 18.823 1.493 ( -14.029 2.618 -12.274) 18.823 1.908 ( 1.950 -10.967 1.503) 11.240 1.908 ( 1.950 10.967 1.503) 11.240 2.561 ( -4.247 -5.363 11.246) 13.164 2.561 ( -4.247 5.363 11.246) 13.164 2.627 ( -7.054 -5.543 0.490) 8.984 2.627 ( -7.054 5.543 0.490) 8.984 3.030 ( 0.129 -4.549 -5.614) 7.227 3.030 ( 0.129 4.549 -5.614) 7.227 3.291 ( -3.971 -2.937 7.779) 9.214 3.291 ( -3.971 2.937 7.779) 9.214 3.528 ( 9.386 -3.489 -5.108) 11.241 3.528 ( 9.386 3.489 -5.108) 11.241 3.547 ( -1.394 -2.806 3.072) 4.388 3.547 ( -1.394 2.806 3.072) 4.388 4.067 ( -2.118 -3.254 0.480) 3.912 4.067 ( -2.118 3.254 0.480) 3.912 4.377 ( 0.269 -1.994 4.691) 5.104 4.377 ( 0.269 1.994 4.691) 5.104 4.679 ( 2.924 -6.901 5.216) 9.131 4.679 ( 2.924 6.901 5.216) 9.131 4.895 ( 2.586 -0.514 1.532) 3.050 4.895 ( 2.586 0.514 1.532) 3.050 5.027 ( -0.595 -4.239 5.781) 7.193 5.027 ( -0.595 4.239 5.781) 7.193 5.216 ( 2.463 -13.906 -9.799) 17.189 5.216 ( 2.463 13.906 -9.799) 17.189 5.380 ( -8.756 -3.391 -0.528) 9.404 5.380 ( -8.756 3.391 -0.528) 9.404 5.727 ( 2.907 -2.372 -0.182) 3.756 5.727 ( 2.907 2.372 -0.182) 3.756 5.896 ( -0.029 -4.249 4.904) 6.488 5.896 ( -0.029 4.249 4.904) 6.488 6.198 ( -1.614 -10.804 10.022) 14.825 6.198 ( -1.614 10.804 10.022) 14.825 6.582 ( -6.885 -9.597 -7.270) 13.870 6.582 ( -6.885 9.597 -7.270) 13.870 6.923 ( 5.939 -0.283 -4.052) 7.196 6.923 ( 5.939 0.283 -4.052) 7.196 7.279 ( -3.699 -1.257 2.499) 4.637 7.279 ( -3.699 1.257 2.499) 4.637 7.331 ( -4.089 -4.348 4.721) 7.610 7.331 ( -4.089 4.348 4.721) 7.610 7.526 ( -5.315 -5.417 -2.809) 8.092 7.526 ( -5.315 5.417 -2.809) 8.092 7.844 ( 1.298 -19.284 6.264) 20.318 7.844 ( 1.298 19.284 6.264) 20.318 8.142 ( -2.282 -6.564 0.385) 6.960 8.142 ( -2.282 6.564 0.385) 6.960 8.343 ( 2.346 -5.159 -7.871) 9.699 8.343 ( 2.346 5.159 -7.871) 9.699 8.820 ( 2.549 -4.657 -7.896) 9.516 8.820 ( 2.549 4.657 -7.896) 9.516 9.024 ( 3.155 -5.923 -2.753) 7.254 9.024 ( 3.155 5.923 -2.753) 7.254 9.418 ( -0.199 -10.340 1.885) 10.513 9.418 ( -0.199 10.340 1.885) 10.513 9.550 ( 3.245 -3.978 -0.088) 5.134 9.550 ( 3.245 3.978 -0.088) 5.134 10.090 ( 0.896 -3.141 -1.563) 3.621 10.090 ( 0.896 3.141 -1.563) 3.621 10.476 ( -1.654 -2.395 0.900) 3.047 10.476 ( -1.654 2.395 0.900) 3.047 11.135 ( 2.896 -1.969 1.748) 3.914 11.135 ( 2.896 1.969 1.748) 3.914 11.267 ( -0.697 -1.631 -1.512) 2.331 11.267 ( -0.697 1.631 -1.512) 2.331 11.852 ( -0.580 -1.098 1.012) 1.602 11.852 ( -0.580 1.098 1.012) 1.602 12.013 ( -0.991 -1.815 0.351) 2.098 12.013 ( -0.991 1.815 0.351) 2.098 12.977 ( 0.395 -1.315 1.383) 1.949 12.977 ( 0.395 1.315 1.383) 1.949 13.186 ( 0.155 -1.901 0.818) 2.075 13.186 ( 0.155 1.901 0.818) 2.075 13.719 ( -0.934 -1.138 -2.716) 3.090 13.719 ( -0.934 1.138 -2.716) 3.090 13.832 ( 1.128 -0.897 -1.371) 1.989 13.832 ( 1.128 0.897 -1.371) 1.989 14.681 ( -5.754 -13.856 -0.311) 15.006 14.681 ( -5.754 13.856 -0.311) 15.006 14.784 ( 0.770 -4.095 5.301) 6.742 14.784 ( 0.770 4.095 5.301) 6.742 15.052 ( 4.126 -6.450 -2.939) 8.202 15.052 ( 4.126 6.450 -2.939) 8.202 15.724 ( 0.369 -3.433 0.854) 3.557 15.724 ( 0.369 3.433 0.854) 3.557 16.267 ( -1.967 -11.258 -2.039) 11.609 16.267 ( -1.967 11.258 -2.039) 11.609 16.639 ( 1.837 -17.674 11.353) 21.086 16.639 ( 1.837 17.674 11.353) 21.086 17.080 ( 7.247 -2.966 8.942) 11.886 17.080 ( 7.247 2.966 8.942) 11.886 17.257 ( -7.117 -9.505 -8.833) 14.799 17.257 ( -7.117 9.505 -8.833) 14.799 17.554 ( 0.499 -17.055 -4.262) 17.586 17.554 ( 0.499 17.055 -4.262) 17.586 18.143 ( 0.300 -4.770 -0.885) 4.861 18.143 ( 0.300 4.770 -0.885) 4.861 18.271 ( 1.599 -2.739 -0.549) 3.219 18.271 ( 1.599 2.739 -0.549) 3.219 18.595 ( 1.018 -1.728 2.499) 3.204 18.595 ( 1.018 1.728 2.499) 3.204 18.779 ( -3.365 -8.625 -0.377) 9.265 18.779 ( -3.365 8.625 -0.377) 9.265 18.967 ( 0.281 -1.418 -1.299) 1.944 18.967 ( 0.281 1.418 -1.299) 1.944 19.206 ( -3.944 -1.042 1.251) 4.266 19.206 ( -3.944 1.042 1.251) 4.266 19.374 ( 0.939 -4.013 -3.988) 5.735 19.374 ( 0.939 4.013 -3.988) 5.735 19.590 ( -0.185 -5.740 -1.511) 5.938 19.590 ( -0.185 5.740 -1.511) 5.938 19.962 ( -2.496 -2.733 2.914) 4.710 19.962 ( -2.496 2.733 2.914) 4.710 20.154 ( 8.703 -9.720 -4.019) 13.652 20.154 ( 8.703 9.720 -4.019) 13.652 20.313 ( 2.060 -2.301 1.899) 3.626 20.313 ( 2.060 2.301 1.899) 3.626 20.436 ( 0.376 -1.852 -5.206) 5.538 20.436 ( 0.376 1.852 -5.206) 5.538 21.221 ( 7.245 -3.972 -8.786) 12.061 21.221 ( 7.245 3.972 -8.786) 12.061 22.384 ( -1.005 -0.834 -0.181) 1.319 22.384 ( -1.005 0.834 -0.181) 1.319 22.444 ( 0.581 -0.783 0.231) 1.002 22.444 ( 0.581 0.783 0.231) 1.002 22.978 ( -0.253 -3.240 0.570) 3.299 22.978 ( -0.253 3.240 0.570) 3.299 23.020 ( 0.898 -3.384 -1.232) 3.712 23.020 ( 0.898 3.384 -1.232) 3.712 24.346 ( -2.196 -5.589 6.382) 8.763 24.346 ( -2.196 5.589 6.382) 8.763 24.728 ( 0.816 -6.350 0.718) 6.442 24.728 ( 0.816 6.350 0.718) 6.442 25.835 ( -9.423 -7.249 -4.244) 12.623 25.835 ( -9.423 7.249 -4.244) 12.623 26.156 ( -2.935 -12.553 8.336) 15.352 26.156 ( -2.935 12.553 8.336) 15.352 26.517 ( -2.587 -13.859 12.976) 19.160 26.517 ( -2.587 13.859 12.976) 19.160 27.276 ( 6.691 -8.110 -7.292) 12.795 27.276 ( 6.691 8.110 -7.292) 12.795 27.697 ( 6.077 -9.082 -1.120) 10.985 27.697 ( 6.077 9.082 -1.120) 10.985 28.023 ( 1.746 -8.418 -1.983) 8.823 28.023 ( 1.746 8.418 -1.983) 8.823 28.564 ( -4.130 -1.001 4.347) 6.079 28.564 ( -4.130 1.001 4.347) 6.079 28.829 ( 2.450 -9.987 -5.133) 11.493 28.829 ( 2.450 9.987 -5.133) 11.493 28.954 ( 1.083 -4.584 2.863) 5.512 28.954 ( 1.083 4.584 2.863) 5.512 29.332 ( 3.205 -2.251 -9.724) 10.483 29.332 ( 3.205 2.251 -9.724) 10.483 30.763 ( -7.084 -9.579 7.764) 14.220 30.763 ( -7.084 9.579 7.764) 14.220 30.979 ( 2.971 -9.558 -1.260) 10.088 30.979 ( 2.971 9.558 -1.260) 10.088 31.579 ( 0.749 -2.943 1.629) 3.446 31.579 ( 0.749 2.943 1.629) 3.446 32.240 ( -4.050 -1.767 3.381) 5.564 32.240 ( -4.050 1.767 3.381) 5.564 32.655 ( 1.037 -6.154 4.744) 7.840 32.655 ( 1.037 6.154 4.744) 7.840 32.749 ( -2.243 -3.822 -6.493) 7.861 32.749 ( -2.243 3.822 -6.493) 7.861 33.756 ( -3.819 -4.208 8.117) 9.909 33.756 ( -3.819 4.208 8.117) 9.909 34.268 ( 6.528 -2.535 -11.922) 13.827 34.268 ( 6.528 2.535 -11.922) 13.827 37.681 ( 0.394 -0.431 0.838) 1.021 37.681 ( 0.394 0.431 0.838) 1.021 37.989 ( 0.447 -2.463 -2.974) 3.887 37.989 ( 0.447 2.463 -2.974) 3.887 39.297 ( 0.156 -2.387 0.165) 2.398 39.297 ( 0.156 2.387 0.165) 2.398 39.322 ( 0.676 -3.099 1.552) 3.531 39.322 ( 0.676 3.099 1.552) 3.531 39.453 ( 0.102 -2.109 1.152) 2.405 39.453 ( 0.102 2.109 1.152) 2.405 39.564 ( 1.408 -4.779 -0.114) 4.984 39.564 ( 1.408 4.779 -0.114) 4.984 39.815 ( -1.617 -3.832 -0.204) 4.164 39.815 ( -1.617 3.832 -0.204) 4.164 39.899 ( 1.046 -7.072 1.842) 7.383 39.899 ( 1.046 7.072 1.842) 7.383 40.347 ( -3.833 -2.335 3.903) 5.948 40.347 ( -3.833 2.335 3.903) 5.948 40.854 ( -1.251 -3.570 -0.911) 3.891 40.854 ( -1.251 3.570 -0.911) 3.891 41.896 ( -8.108 -14.504 -7.892) 18.395 41.896 ( -8.108 14.504 -7.892) 18.395 42.089 ( 8.560 -13.903 3.019) 16.604 42.089 ( 8.560 13.903 3.019) 16.604 43.045 ( -8.986 -4.825 7.125) 12.442 43.045 ( -8.986 4.825 7.125) 12.442 43.644 ( 4.998 -6.271 -6.291) 10.192 43.644 ( 4.998 6.271 -6.291) 10.192 43.978 ( -4.046 -5.173 5.856) 8.799 43.978 ( -4.046 5.173 5.856) 8.799 44.880 ( 3.577 -2.275 -6.653) 7.889 44.880 ( 3.577 2.275 -6.653) 7.889 ======================= Grid point 113 (61/80) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -7.648 -1.413 -7.476) 10.788 1.193 ( -7.648 1.413 -7.476) 10.788 1.942 ( 1.258 -8.269 0.039) 8.365 1.942 ( 1.258 8.269 0.039) 8.365 2.493 ( -5.074 -2.160 3.858) 6.730 2.493 ( -5.074 2.160 3.858) 6.730 2.630 ( -1.819 -4.409 9.020) 10.203 2.630 ( -1.819 4.409 9.020) 10.203 3.001 ( 2.108 -5.440 -6.207) 8.518 3.001 ( 2.108 5.440 -6.207) 8.518 3.258 ( -6.377 -2.338 4.421) 8.104 3.258 ( -6.377 2.338 4.421) 8.104 3.555 ( -1.969 -7.142 6.073) 9.580 3.555 ( -1.969 7.142 6.073) 9.580 3.639 ( 7.709 -7.997 -5.709) 12.489 3.639 ( 7.709 7.997 -5.709) 12.489 4.051 ( -2.513 -5.541 5.960) 8.517 4.051 ( -2.513 5.541 5.960) 8.517 4.399 ( -1.742 -5.696 4.647) 7.555 4.399 ( -1.742 5.696 4.647) 7.555 4.624 ( -4.259 -8.610 -10.342) 14.114 4.624 ( -4.259 8.610 -10.342) 14.114 4.895 ( -4.327 -12.078 -8.668) 15.483 4.895 ( -4.327 12.078 -8.668) 15.483 5.037 ( -1.842 -6.436 -2.654) 7.202 5.037 ( -1.842 6.436 -2.654) 7.202 5.210 ( 6.579 -6.316 -3.045) 9.615 5.210 ( 6.579 6.316 -3.045) 9.615 5.289 ( -4.759 -7.461 10.341) 13.611 5.289 ( -4.759 7.461 10.341) 13.611 5.754 ( -3.189 -5.890 5.738) 8.820 5.754 ( -3.189 5.890 5.738) 8.820 5.977 ( 2.412 -4.512 8.983) 10.338 5.977 ( 2.412 4.512 8.983) 10.338 6.329 ( 7.699 -7.726 -1.536) 11.015 6.329 ( 7.699 7.726 -1.536) 11.015 6.415 ( -6.270 -7.343 2.061) 9.873 6.415 ( -6.270 7.343 2.061) 9.873 6.997 ( 3.827 -2.932 0.451) 4.842 6.997 ( 3.827 2.932 0.451) 4.842 7.195 ( -4.392 -8.320 -0.866) 9.448 7.195 ( -4.392 8.320 -0.866) 9.448 7.318 ( -2.248 -8.859 4.499) 10.187 7.318 ( -2.248 8.859 4.499) 10.187 7.461 ( -0.681 -20.473 0.234) 20.485 7.461 ( -0.681 20.473 0.234) 20.485 7.922 ( 1.763 -24.997 6.900) 25.992 7.922 ( 1.763 24.997 6.900) 25.992 8.113 ( -2.330 -5.525 2.795) 6.616 8.113 ( -2.330 5.525 2.795) 6.616 8.361 ( 4.531 -10.593 -3.717) 12.106 8.361 ( 4.531 10.593 -3.717) 12.106 8.749 ( -1.332 -5.486 -9.418) 10.981 8.749 ( -1.332 5.486 -9.418) 10.981 9.016 ( 1.807 -4.514 -9.439) 10.618 9.016 ( 1.807 4.514 -9.439) 10.618 9.455 ( -0.313 -6.842 1.036) 6.927 9.455 ( -0.313 6.842 1.036) 6.927 9.586 ( 2.012 -1.643 3.484) 4.345 9.586 ( 2.012 1.643 3.484) 4.345 10.074 ( 0.750 -3.916 -5.451) 6.754 10.074 ( 0.750 3.916 -5.451) 6.754 10.370 ( -6.558 -7.553 -6.049) 11.690 10.370 ( -6.558 7.553 -6.049) 11.690 11.178 ( -0.481 -7.868 -0.058) 7.882 11.178 ( -0.481 7.868 -0.058) 7.882 11.281 ( 2.736 -2.031 1.532) 3.736 11.281 ( 2.736 2.031 1.532) 3.736 11.881 ( 2.042 -5.520 3.252) 6.724 11.881 ( 2.042 5.520 3.252) 6.724 12.024 ( 0.169 -4.060 2.667) 4.861 12.024 ( 0.169 4.060 2.667) 4.861 12.990 ( -0.256 -3.717 0.640) 3.780 12.990 ( -0.256 3.717 0.640) 3.780 13.157 ( -1.999 -3.209 -2.487) 4.526 13.157 ( -1.999 3.209 -2.487) 4.526 13.658 ( -1.712 -2.170 -3.650) 4.579 13.658 ( -1.712 2.170 -3.650) 4.579 13.885 ( 3.242 -0.490 2.221) 3.960 13.885 ( 3.242 0.490 2.221) 3.960 14.609 ( -1.381 -8.629 0.449) 8.751 14.609 ( -1.381 8.629 0.449) 8.751 14.860 ( 0.110 -1.033 6.406) 6.489 14.860 ( 0.110 1.033 6.406) 6.489 15.094 ( 3.318 -12.037 -0.705) 12.506 15.094 ( 3.318 12.038 -0.705) 12.506 15.711 ( -1.796 -6.970 -0.543) 7.218 15.711 ( -1.796 6.970 -0.543) 7.218 16.204 ( -2.670 -10.880 -2.446) 11.467 16.204 ( -2.670 10.880 -2.446) 11.467 16.748 ( -7.847 -15.523 -2.720) 17.605 16.748 ( -7.847 15.523 -2.720) 17.605 16.940 ( 6.136 -4.886 -2.410) 8.205 16.940 ( 6.136 4.886 -2.410) 8.205 17.488 ( 7.505 -10.729 22.889) 26.369 17.488 ( 7.505 10.729 22.889) 26.369 17.615 ( 6.475 -9.568 1.604) 11.664 17.615 ( 6.475 9.568 1.604) 11.664 18.129 ( -0.322 -7.663 -3.464) 8.416 18.129 ( -0.322 7.663 -3.464) 8.416 18.301 ( 1.611 -4.128 1.179) 4.586 18.301 ( 1.611 4.128 1.179) 4.586 18.616 ( -1.436 -3.161 0.430) 3.498 18.616 ( -1.436 3.161 0.430) 3.498 18.687 ( -4.173 -7.152 -1.959) 8.509 18.687 ( -4.173 7.152 -1.959) 8.509 18.988 ( 1.103 -2.834 1.516) 3.398 18.988 ( 1.103 2.834 1.516) 3.398 19.174 ( -0.146 -0.437 1.131) 1.222 19.174 ( -0.146 0.437 1.131) 1.222 19.349 ( 0.124 -1.802 -3.701) 4.118 19.349 ( 0.124 1.802 -3.701) 4.118 19.588 ( 1.335 -5.272 -0.499) 5.461 19.588 ( 1.335 5.272 -0.499) 5.461 19.916 ( -2.708 -7.213 -1.162) 7.792 19.916 ( -2.708 7.213 -1.162) 7.792 20.196 ( 0.884 -7.105 -2.738) 7.666 20.196 ( 0.884 7.105 -2.738) 7.666 20.299 ( -3.560 -4.040 -5.936) 8.015 20.299 ( -3.560 4.040 -5.936) 8.015 20.523 ( 11.216 -5.091 1.195) 12.375 20.523 ( 11.216 5.091 1.195) 12.375 21.199 ( 1.782 -5.818 -15.336) 16.499 21.199 ( 1.782 5.818 -15.336) 16.499 22.357 ( -1.360 -0.800 -0.364) 1.619 22.357 ( -1.360 0.800 -0.364) 1.619 22.444 ( -0.397 -1.009 -0.858) 1.383 22.444 ( -0.397 1.009 -0.858) 1.383 22.979 ( -0.239 -3.129 0.520) 3.181 22.979 ( -0.239 3.129 0.520) 3.181 23.024 ( 0.828 -3.329 -1.432) 3.717 23.024 ( 0.828 3.329 -1.432) 3.717 24.359 ( -1.650 -3.995 5.236) 6.790 24.359 ( -1.650 3.995 5.236) 6.790 24.795 ( 2.880 -7.946 5.757) 10.226 24.795 ( 2.880 7.946 5.757) 10.226 25.583 ( -14.711 -5.511 -2.619) 15.926 25.583 ( -14.711 5.511 -2.619) 15.926 26.094 ( -1.816 -12.215 -6.052) 13.752 26.094 ( -1.816 12.215 -6.052) 13.752 26.699 ( 1.635 -0.673 22.827) 22.895 26.699 ( 1.635 0.673 22.827) 22.895 27.342 ( 6.442 -5.393 -4.988) 9.771 27.342 ( 6.442 5.393 -4.988) 9.771 27.804 ( 7.386 -18.015 -2.267) 19.602 27.804 ( 7.386 18.015 -2.267) 19.602 28.004 ( -1.322 -15.962 -3.650) 16.427 28.004 ( -1.322 15.962 -3.650) 16.427 28.501 ( -6.741 -4.735 3.606) 8.992 28.501 ( -6.741 4.735 3.606) 8.992 28.843 ( 3.911 -8.320 -3.914) 9.992 28.843 ( 3.911 8.320 -3.914) 9.992 29.004 ( 1.666 -3.479 2.264) 4.472 29.004 ( 1.666 3.479 2.264) 4.472 29.275 ( 1.839 -1.373 -12.871) 13.074 29.275 ( 1.839 1.373 -12.871) 13.074 30.685 ( -6.427 -11.518 4.344) 13.887 30.685 ( -6.427 11.518 4.344) 13.887 31.056 ( 2.522 -3.672 4.397) 6.259 31.056 ( 2.522 3.672 4.397) 6.259 31.585 ( -0.043 -4.006 -0.634) 4.056 31.585 ( -0.043 4.006 -0.634) 4.056 32.146 ( -7.042 -6.055 -1.169) 9.361 32.146 ( -7.042 6.055 -1.169) 9.361 32.675 ( -0.827 -1.026 2.517) 2.841 32.675 ( -0.827 1.026 2.517) 2.841 32.756 ( 3.503 -5.306 1.142) 6.459 32.756 ( 3.503 5.306 1.142) 6.459 33.772 ( -3.102 -4.125 8.709) 10.124 33.772 ( -3.102 4.125 8.709) 10.124 34.293 ( 7.386 -3.191 -10.097) 12.911 34.293 ( 7.386 3.191 -10.097) 12.911 37.698 ( 0.613 -1.774 0.846) 2.059 37.698 ( 0.613 1.774 0.846) 2.059 37.968 ( 0.253 -2.058 -2.989) 3.638 37.968 ( 0.253 2.058 -2.989) 3.638 39.289 ( -1.280 -5.572 -0.182) 5.720 39.289 ( -1.280 5.572 -0.182) 5.720 39.335 ( 0.235 -3.552 -0.192) 3.565 39.335 ( 0.235 3.552 -0.192) 3.565 39.485 ( 0.113 -5.064 3.596) 6.212 39.485 ( 0.113 5.064 3.596) 6.212 39.623 ( 4.895 -4.382 2.088) 6.894 39.623 ( 4.895 4.382 2.088) 6.894 39.731 ( -2.690 -0.750 -5.276) 5.969 39.731 ( -2.690 0.750 -5.276) 5.969 39.992 ( 3.402 -8.811 5.017) 10.695 39.992 ( 3.402 8.811 5.017) 10.695 40.359 ( -0.962 -3.187 9.305) 9.883 40.359 ( -0.962 3.187 9.305) 9.883 40.818 ( -2.835 -8.454 -0.812) 8.953 40.818 ( -2.835 8.454 -0.812) 8.953 41.737 ( -2.448 -13.178 -4.686) 14.199 41.737 ( -2.448 13.178 -4.686) 14.199 42.230 ( 3.374 -11.717 2.901) 12.533 42.230 ( 3.374 11.717 2.901) 12.533 42.950 ( -6.517 -5.381 4.110) 9.398 42.950 ( -6.517 5.381 4.110) 9.398 43.587 ( -5.025 -9.086 -5.743) 11.866 43.587 ( -5.025 9.086 -5.743) 11.866 44.012 ( 3.079 -5.028 3.973) 7.109 44.012 ( 3.079 5.028 3.973) 7.109 44.806 ( -2.129 -0.483 -12.602) 12.790 44.806 ( -2.129 0.483 -12.602) 12.790 ======================= Grid point 115 (62/80) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 9.601 -6.624 -3.867) 12.289 1.170 ( 9.601 6.624 -3.867) 12.289 1.976 ( 5.139 -3.892 -2.795) 7.026 1.976 ( 5.139 3.892 -2.795) 7.026 2.516 ( 0.242 -1.471 8.063) 8.200 2.516 ( 0.242 1.471 8.063) 8.200 2.645 ( -2.607 -12.487 1.985) 12.909 2.645 ( -2.607 12.487 1.985) 12.909 2.994 ( 4.188 -6.088 -6.926) 10.128 2.994 ( 4.188 6.088 -6.926) 10.128 3.229 ( -2.372 -5.590 10.318) 11.972 3.229 ( -2.372 5.590 10.318) 11.973 3.519 ( -4.369 -9.726 -2.669) 10.991 3.519 ( -4.369 9.726 -2.669) 10.991 3.712 ( 0.803 -11.036 4.430) 11.919 3.712 ( 0.803 11.036 4.430) 11.919 4.017 ( -7.070 -9.592 3.693) 12.475 4.017 ( -7.070 9.592 3.693) 12.475 4.354 ( -5.541 -4.171 -4.447) 8.239 4.354 ( -5.541 4.171 -4.447) 8.239 4.529 ( -1.367 -4.519 -0.869) 4.800 4.529 ( -1.367 4.519 -0.869) 4.800 4.749 ( 3.095 -13.505 -5.527) 14.917 4.749 ( 3.095 13.505 -5.527) 14.917 4.959 ( -5.890 -6.798 -1.129) 9.065 4.959 ( -5.890 6.798 -1.129) 9.065 5.173 ( -5.757 -5.271 -4.761) 9.143 5.173 ( -5.757 5.271 -4.761) 9.143 5.360 ( 4.011 -4.935 3.517) 7.267 5.360 ( 4.011 4.935 3.517) 7.267 5.814 ( -1.081 -4.385 13.758) 14.481 5.814 ( -1.081 4.385 13.758) 14.481 6.078 ( -2.549 -2.363 5.135) 6.201 6.078 ( -2.549 2.363 5.135) 6.201 6.222 ( -2.112 -12.858 -3.240) 13.427 6.222 ( -2.112 12.858 -3.240) 13.427 6.581 ( 10.154 -4.912 3.345) 11.765 6.581 ( 10.154 4.912 3.345) 11.765 7.043 ( 2.378 -2.249 -2.033) 3.853 7.043 ( 2.378 2.249 -2.033) 3.853 7.185 ( 3.358 -10.090 -0.735) 10.659 7.185 ( 3.358 10.090 -0.735) 10.659 7.259 ( -5.006 -2.755 -0.030) 5.714 7.259 ( -5.006 2.755 -0.030) 5.714 7.552 ( 6.084 -23.708 7.369) 25.561 7.552 ( 6.084 23.708 7.369) 25.561 7.966 ( -0.968 -24.211 -6.802) 25.167 7.966 ( -0.968 24.211 -6.802) 25.167 8.148 ( 1.725 -10.393 14.455) 17.887 8.148 ( 1.725 10.393 14.455) 17.887 8.426 ( 1.875 -3.820 1.378) 4.473 8.426 ( 1.875 3.820 1.378) 4.473 8.646 ( 0.578 -4.760 -9.246) 10.415 8.646 ( 0.578 4.760 -9.246) 10.415 8.925 ( -0.922 -4.172 -13.439) 14.102 8.925 ( -0.922 4.172 -13.439) 14.102 9.403 ( -3.743 -6.728 0.978) 7.761 9.403 ( -3.743 6.728 0.978) 7.761 9.681 ( 2.703 -2.019 3.265) 4.695 9.681 ( 2.703 2.019 3.265) 4.695 10.017 ( -1.955 -4.040 -4.999) 6.718 10.017 ( -1.955 4.040 -4.999) 6.718 10.208 ( -4.634 -4.925 -6.178) 9.159 10.208 ( -4.634 4.925 -6.178) 9.159 11.177 ( 0.163 -4.074 2.076) 4.575 11.177 ( 0.163 4.074 2.076) 4.575 11.316 ( 0.731 -2.282 -1.139) 2.653 11.316 ( 0.731 2.282 -1.139) 2.653 11.955 ( 1.462 -6.071 3.962) 7.396 11.955 ( 1.462 6.071 3.962) 7.396 12.050 ( 1.363 -5.977 0.817) 6.184 12.050 ( 1.363 5.977 0.817) 6.184 12.974 ( -1.857 -3.752 0.809) 4.263 12.974 ( -1.857 3.752 0.809) 4.263 13.106 ( -1.469 -3.708 -2.074) 4.496 13.106 ( -1.469 3.709 -2.074) 4.496 13.618 ( 0.454 -1.658 -2.568) 3.090 13.618 ( 0.454 1.658 -2.568) 3.090 13.955 ( 2.729 -0.792 1.534) 3.229 13.955 ( 2.729 0.792 1.534) 3.229 14.617 ( 0.536 -7.912 0.542) 7.949 14.617 ( 0.536 7.912 0.542) 7.949 14.868 ( -1.534 -2.748 -0.628) 3.210 14.868 ( -1.534 2.748 -0.628) 3.210 15.191 ( 3.690 -15.417 8.537) 18.005 15.191 ( 3.690 15.417 8.537) 18.005 15.670 ( -2.713 -8.463 0.685) 8.913 15.670 ( -2.713 8.463 0.685) 8.913 16.135 ( -3.136 -10.096 -1.712) 10.710 16.135 ( -3.136 10.096 -1.712) 10.710 16.468 ( -8.133 -8.751 -14.641) 18.897 16.468 ( -8.133 8.751 -14.641) 18.897 17.208 ( 9.825 -9.893 14.625) 20.206 17.208 ( 9.825 9.893 14.625) 20.206 17.706 ( 1.325 -16.434 9.478) 19.018 17.706 ( 1.325 16.434 9.478) 19.018 17.791 ( 6.363 -19.092 10.066) 22.502 17.791 ( 6.363 19.092 10.066) 22.502 18.033 ( -4.474 -6.720 -9.495) 12.463 18.033 ( -4.474 6.720 -9.495) 12.463 18.354 ( 2.269 -1.516 3.077) 4.113 18.354 ( 2.269 1.516 3.077) 4.113 18.539 ( -4.481 -3.249 0.623) 5.570 18.539 ( -4.481 3.249 0.623) 5.570 18.672 ( 0.737 -3.970 1.535) 4.320 18.672 ( 0.737 3.970 1.535) 4.320 19.028 ( 3.535 -2.730 -0.478) 4.492 19.028 ( 3.535 2.730 -0.478) 4.492 19.203 ( 1.909 -1.312 -0.098) 2.319 19.203 ( 1.909 1.312 -0.098) 2.319 19.312 ( -0.164 -4.467 -4.692) 6.481 19.312 ( -0.164 4.467 -4.692) 6.481 19.633 ( 2.863 -5.639 1.480) 6.495 19.633 ( 2.863 5.639 1.480) 6.495 19.869 ( -1.162 -5.436 -1.332) 5.716 19.869 ( -1.162 5.436 -1.332) 5.716 20.136 ( -4.416 -7.938 -5.850) 10.804 20.136 ( -4.416 7.938 -5.850) 10.804 20.220 ( 1.784 -4.025 -3.157) 5.418 20.220 ( 1.784 4.025 -3.157) 5.418 20.709 ( 7.868 -8.478 2.128) 11.760 20.709 ( 7.868 8.478 2.128) 11.760 21.019 ( -4.881 -4.813 -18.376) 19.613 21.019 ( -4.881 4.813 -18.376) 19.613 22.342 ( -0.307 -0.977 0.353) 1.083 22.342 ( -0.307 0.977 0.353) 1.083 22.421 ( -1.067 -0.592 -1.097) 1.641 22.421 ( -1.067 0.592 -1.097) 1.641 22.979 ( -0.263 -2.866 0.494) 2.920 22.979 ( -0.263 2.866 0.494) 2.920 23.023 ( 0.586 -3.195 -1.484) 3.571 23.023 ( 0.586 3.195 -1.484) 3.571 24.373 ( -2.911 -5.267 5.412) 8.094 24.373 ( -2.911 5.267 5.412) 8.094 24.899 ( 2.675 -7.598 6.276) 10.211 24.899 ( 2.675 7.598 6.276) 10.211 25.366 ( -8.240 -6.023 1.243) 10.282 25.366 ( -8.240 6.023 1.243) 10.282 26.028 ( 1.657 -10.978 -8.894) 14.226 26.028 ( 1.657 10.978 -8.894) 14.226 26.897 ( -1.651 -4.264 20.503) 21.007 26.897 ( -1.651 4.264 20.503) 21.007 27.387 ( 3.675 -5.316 -4.997) 8.169 27.387 ( 3.675 5.317 -4.997) 8.169 27.874 ( 2.247 -19.655 -2.781) 19.978 27.874 ( 2.247 19.655 -2.781) 19.978 27.929 ( -2.897 -25.633 -2.772) 25.944 27.929 ( -2.897 25.633 -2.772) 25.944 28.425 ( -6.427 -7.578 6.497) 11.872 28.425 ( -6.427 7.578 6.497) 11.872 28.871 ( 2.551 -5.897 -4.323) 7.744 28.871 ( 2.551 5.897 -4.323) 7.744 29.039 ( 1.374 -3.596 -0.687) 3.911 29.039 ( 1.374 3.596 -0.687) 3.911 29.203 ( 4.254 -1.569 -13.082) 13.845 29.203 ( 4.254 1.569 -13.082) 13.845 30.638 ( -4.453 -6.970 5.804) 10.104 30.638 ( -4.453 6.970 5.804) 10.104 31.119 ( 1.427 -4.709 2.978) 5.752 31.119 ( 1.427 4.709 2.978) 5.752 31.579 ( -2.237 -2.798 2.285) 4.249 31.579 ( -2.237 2.798 2.285) 4.249 32.023 ( -3.963 -4.554 -2.566) 6.559 32.023 ( -3.963 4.554 -2.566) 6.559 32.666 ( -4.275 -3.043 4.309) 6.790 32.666 ( -4.275 3.043 4.309) 6.790 32.859 ( 8.496 -2.779 -1.556) 9.073 32.859 ( 8.496 2.779 -1.556) 9.073 33.792 ( -3.196 -3.204 8.000) 9.191 33.792 ( -3.196 3.204 8.000) 9.191 34.332 ( 6.734 -3.440 -9.346) 12.022 34.332 ( 6.734 3.440 -9.346) 12.022 37.710 ( -0.395 -2.107 0.907) 2.328 37.710 ( -0.395 2.107 0.907) 2.328 37.956 ( 1.669 -3.943 -3.122) 5.299 37.956 ( 1.669 3.943 -3.122) 5.299 39.252 ( -1.914 -3.908 -0.461) 4.376 39.252 ( -1.914 3.908 -0.461) 4.376 39.343 ( -0.010 -6.307 0.662) 6.341 39.343 ( -0.010 6.307 0.662) 6.341 39.500 ( -0.980 -3.511 2.879) 4.644 39.500 ( -0.980 3.511 2.879) 4.644 39.641 ( -2.421 -3.079 -3.125) 5.011 39.641 ( -2.421 3.079 -3.125) 5.011 39.731 ( 2.762 -3.086 1.370) 4.363 39.731 ( 2.762 3.086 1.370) 4.363 40.084 ( 3.565 -5.201 2.284) 6.706 40.084 ( 3.565 5.201 2.284) 6.706 40.483 ( 4.428 -9.350 11.396) 15.392 40.483 ( 4.428 9.350 11.396) 15.392 40.736 ( -3.479 -13.703 -3.628) 14.596 40.736 ( -3.479 13.703 -3.628) 14.596 41.761 ( 4.353 -9.273 5.201) 11.489 41.761 ( 4.353 9.273 5.201) 11.489 42.217 ( -3.579 -7.162 -4.363) 9.119 42.217 ( -3.579 7.162 -4.363) 9.119 42.930 ( -0.857 -5.970 5.128) 7.917 42.930 ( -0.857 5.970 5.128) 7.917 43.441 ( -3.852 -8.295 -6.273) 11.090 43.441 ( -3.852 8.295 -6.273) 11.090 44.114 ( 2.388 -5.222 6.323) 8.541 44.114 ( 2.388 5.222 6.323) 8.541 44.620 ( -3.884 -2.530 -15.352) 16.037 44.620 ( -3.884 2.530 -15.352) 16.037 ======================= Grid point 117 (63/80) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 15.902 -9.881 -7.204) 20.059 1.358 ( 15.902 9.881 -7.204) 20.059 2.066 ( 8.044 -4.326 -5.134) 10.477 2.066 ( 8.044 4.326 -5.134) 10.477 2.527 ( -5.067 -7.720 2.225) 9.499 2.527 ( -5.067 7.720 2.225) 9.499 2.649 ( 1.212 -8.251 3.593) 9.081 2.649 ( 1.212 8.251 3.593) 9.081 3.051 ( 7.865 -6.304 -4.332) 10.971 3.051 ( 7.865 6.304 -4.332) 10.971 3.322 ( -0.513 -4.873 11.752) 12.733 3.322 ( -0.513 4.873 11.752) 12.733 3.396 ( -5.376 -9.931 -2.253) 11.515 3.396 ( -5.376 9.931 -2.253) 11.515 3.711 ( -3.689 -9.226 2.015) 10.138 3.711 ( -3.689 9.226 2.015) 10.138 3.945 ( -4.488 -6.668 6.156) 10.124 3.945 ( -4.488 6.668 6.156) 10.124 4.269 ( 0.532 -5.763 -2.178) 6.183 4.269 ( 0.532 5.763 -2.178) 6.183 4.444 ( -7.393 -10.151 2.515) 12.807 4.444 ( -7.393 10.151 2.515) 12.807 4.787 ( -3.082 -4.635 -4.038) 6.876 4.787 ( -3.082 4.635 -4.038) 6.876 4.940 ( -0.346 -6.501 13.250) 14.763 4.940 ( -0.346 6.501 13.250) 14.763 5.086 ( 5.378 -5.620 -6.208) 9.952 5.086 ( 5.378 5.620 -6.208) 9.952 5.447 ( 4.726 -2.884 -1.415) 5.714 5.447 ( 4.726 2.884 -1.415) 5.714 5.857 ( -6.225 -6.381 3.001) 9.406 5.857 ( -6.225 6.381 3.001) 9.406 5.976 ( -5.752 -3.208 7.562) 10.028 5.976 ( -5.752 3.208 7.562) 10.028 6.250 ( -0.346 -6.832 0.799) 6.888 6.250 ( -0.346 6.832 0.799) 6.888 6.706 ( 2.757 -4.104 -0.807) 5.010 6.706 ( 2.757 4.104 -0.807) 5.010 7.042 ( 6.349 -1.048 -13.081) 14.578 7.042 ( 6.349 1.048 -13.081) 14.578 7.237 ( 1.512 -7.784 4.230) 8.988 7.237 ( 1.512 7.784 4.230) 8.988 7.303 ( 6.689 -13.705 4.257) 15.833 7.303 ( 6.689 13.705 4.257) 15.833 7.705 ( 2.351 -13.269 6.225) 14.844 7.705 ( 2.351 13.269 6.225) 14.844 7.808 ( -4.820 -19.129 -13.217) 23.745 7.808 ( -4.820 19.129 -13.217) 23.745 8.334 ( -1.116 -11.299 4.140) 12.086 8.334 ( -1.116 11.299 4.140) 12.086 8.414 ( 2.473 -5.571 8.517) 10.473 8.414 ( 2.473 5.571 8.517) 10.473 8.633 ( 1.192 -4.330 -2.198) 5.000 8.633 ( 1.192 4.330 -2.198) 5.000 8.789 ( 1.880 -4.914 -14.779) 15.687 8.789 ( 1.880 4.914 -14.779) 15.687 9.402 ( 0.673 -4.168 3.777) 5.665 9.402 ( 0.673 4.168 3.777) 5.665 9.677 ( -3.739 -2.838 -1.957) 5.086 9.677 ( -3.739 2.838 -1.957) 5.086 9.979 ( 0.375 -2.816 3.694) 4.661 9.979 ( 0.375 2.816 3.694) 4.661 10.124 ( -1.136 -6.081 -3.046) 6.896 10.124 ( -1.136 6.081 -3.046) 6.896 11.210 ( 1.094 -2.755 1.586) 3.362 11.210 ( 1.094 2.755 1.586) 3.362 11.303 ( -0.158 -3.644 -1.952) 4.137 11.303 ( -0.158 3.644 -1.952) 4.137 11.958 ( -2.896 -5.331 0.839) 6.124 11.958 ( -2.896 5.331 0.839) 6.124 12.096 ( 2.963 -6.093 -0.635) 6.805 12.096 ( 2.963 6.093 -0.635) 6.805 12.966 ( -0.548 -0.637 2.723) 2.849 12.966 ( -0.548 0.637 2.723) 2.849 13.061 ( -2.285 -0.985 -0.862) 2.633 13.061 ( -2.285 0.985 -0.862) 2.633 13.633 ( 3.262 -0.606 -1.668) 3.713 13.633 ( 3.262 0.606 -1.668) 3.713 13.988 ( 0.698 -1.464 -1.292) 2.074 13.988 ( 0.698 1.464 -1.292) 2.074 14.616 ( -0.583 -10.901 -0.246) 10.919 14.616 ( -0.583 10.901 -0.246) 10.919 14.846 ( 0.066 -5.809 0.257) 5.815 14.846 ( 0.066 5.809 0.257) 5.815 15.273 ( -2.813 -4.200 2.443) 5.615 15.273 ( -2.813 4.200 2.443) 5.615 15.666 ( 0.902 -2.117 4.214) 4.801 15.666 ( 0.902 2.117 4.214) 4.801 16.088 ( -2.722 -9.409 4.527) 10.791 16.088 ( -2.722 9.409 4.527) 10.791 16.284 ( -1.591 -6.664 -7.505) 10.162 16.284 ( -1.591 6.664 -7.505) 10.162 17.398 ( -0.384 -8.264 4.955) 9.643 17.398 ( -0.384 8.264 4.955) 9.643 17.651 ( -11.416 -8.625 -6.264) 15.619 17.651 ( -11.416 8.625 -6.264) 15.619 17.884 ( 4.567 -9.551 2.310) 10.836 17.884 ( 4.567 9.551 2.310) 10.836 18.011 ( 3.171 -14.641 4.804) 15.732 18.011 ( 3.171 14.641 4.804) 15.732 18.399 ( 0.368 -2.488 -0.118) 2.518 18.399 ( 0.368 2.488 -0.118) 2.518 18.499 ( -2.423 -5.951 2.278) 6.817 18.499 ( -2.423 5.951 2.278) 6.817 18.717 ( 0.818 -2.457 4.774) 5.431 18.717 ( 0.818 2.457 4.774) 5.431 19.104 ( 7.760 -5.383 -4.515) 10.468 19.104 ( 7.760 5.383 -4.515) 10.468 19.228 ( 2.529 -0.462 -1.325) 2.892 19.228 ( 2.529 0.462 -1.325) 2.892 19.275 ( 0.288 -3.041 -4.444) 5.392 19.275 ( 0.288 3.041 -4.444) 5.392 19.658 ( -0.886 -2.388 -1.619) 3.018 19.658 ( -0.886 2.388 -1.619) 3.018 19.811 ( -4.753 -1.879 -2.488) 5.684 19.811 ( -4.753 1.879 -2.488) 5.684 20.092 ( 3.583 -1.622 1.495) 4.208 20.092 ( 3.583 1.622 1.495) 4.208 20.260 ( 5.556 -6.379 -2.698) 8.880 20.260 ( 5.556 6.379 -2.698) 8.880 20.682 ( -10.847 -5.917 -9.429) 15.543 20.682 ( -10.847 5.917 -9.429) 15.543 20.897 ( 6.017 -11.677 -1.964) 13.282 20.897 ( 6.017 11.677 -1.964) 13.282 22.347 ( 0.305 -0.312 0.355) 0.562 22.347 ( 0.305 0.312 0.355) 0.562 22.403 ( -0.343 -0.374 0.403) 0.648 22.403 ( -0.343 0.374 0.403) 0.648 22.977 ( -0.392 -2.713 0.397) 2.770 22.977 ( -0.392 2.713 0.397) 2.770 23.019 ( 0.397 -2.969 -1.244) 3.243 23.019 ( 0.397 2.969 -1.244) 3.243 24.342 ( -5.400 -6.811 4.726) 9.894 24.342 ( -5.400 6.811 4.726) 9.894 24.953 ( -1.230 -2.743 0.560) 3.058 24.953 ( -1.230 2.743 0.560) 3.058 25.381 ( 4.287 -11.295 11.183) 16.463 25.381 ( 4.287 11.295 11.183) 16.463 25.994 ( 3.381 -11.031 -9.115) 14.704 25.994 ( 3.381 11.031 -9.115) 14.704 26.960 ( -8.706 -5.254 13.103) 16.586 26.960 ( -8.706 5.254 13.103) 16.586 27.384 ( 1.677 -5.854 -5.989) 8.541 27.384 ( 1.677 5.854 -5.989) 8.541 27.792 ( -5.940 -20.408 -3.832) 21.598 27.792 ( -5.940 20.408 -3.832) 21.598 27.920 ( 0.548 -19.401 2.299) 19.545 27.920 ( 0.548 19.401 2.299) 19.545 28.413 ( -3.397 -6.225 10.135) 12.370 28.413 ( -3.397 6.225 10.135) 12.370 28.847 ( 0.414 -9.275 -5.571) 10.828 28.847 ( 0.414 9.275 -5.571) 10.828 29.033 ( 0.649 -3.360 -4.499) 5.653 29.033 ( 0.649 3.360 -4.499) 5.653 29.215 ( 7.784 -2.995 -9.000) 12.270 29.215 ( 7.784 2.995 -9.000) 12.270 30.628 ( -3.171 -2.434 7.039) 8.095 30.628 ( -3.171 2.434 7.039) 8.095 31.169 ( 2.291 -1.009 0.682) 2.595 31.169 ( 2.291 1.009 0.682) 2.595 31.516 ( -7.908 -9.111 4.530) 12.887 31.516 ( -7.908 9.111 4.530) 12.887 32.013 ( 3.547 -3.344 0.501) 4.900 32.013 ( 3.547 3.344 0.501) 4.900 32.616 ( -4.890 -4.036 3.558) 7.271 32.616 ( -4.890 4.036 3.558) 7.271 32.979 ( 7.829 -1.275 -5.277) 9.527 32.979 ( 7.829 1.275 -5.277) 9.527 33.798 ( -3.737 -2.780 6.978) 8.390 33.798 ( -3.737 2.780 6.978) 8.390 34.347 ( 4.972 -2.573 -10.800) 12.165 34.347 ( 4.972 2.573 -10.800) 12.165 37.699 ( -1.534 -3.819 0.834) 4.200 37.699 ( -1.534 3.819 0.834) 4.200 37.971 ( 3.100 -6.364 -3.332) 7.824 37.971 ( 3.100 6.364 -3.332) 7.824 39.232 ( -0.952 -2.555 1.680) 3.203 39.232 ( -0.952 2.555 1.680) 3.203 39.337 ( -0.891 -7.813 0.251) 7.868 39.337 ( -0.891 7.813 0.251) 7.868 39.516 ( -0.528 -2.290 3.310) 4.060 39.516 ( -0.528 2.290 3.310) 4.060 39.586 ( -1.461 -3.781 -1.718) 4.403 39.586 ( -1.461 3.781 -1.718) 4.403 39.729 ( -2.304 -2.861 -1.022) 3.813 39.729 ( -2.304 2.861 -1.022) 3.813 40.131 ( -0.096 -7.518 0.415) 7.530 40.131 ( -0.096 7.518 0.415) 7.530 40.560 ( -2.824 -16.433 -1.622) 16.753 40.560 ( -2.824 16.433 -1.622) 16.753 40.778 ( 10.053 -9.724 2.398) 14.190 40.778 ( 10.053 9.724 2.398) 14.190 41.842 ( -3.323 -1.319 0.741) 3.651 41.842 ( -3.323 1.319 0.741) 3.651 42.169 ( 4.945 -4.236 1.124) 6.608 42.169 ( 4.945 4.236 1.124) 6.608 42.953 ( -1.341 -7.977 2.989) 8.624 42.953 ( -1.341 7.977 2.989) 8.624 43.412 ( 4.760 -3.549 -1.221) 6.062 43.412 ( 4.760 3.549 -1.221) 6.062 44.130 ( -7.266 -2.871 3.751) 8.666 44.130 ( -7.266 2.871 3.751) 8.666 44.513 ( 5.392 -3.215 -6.928) 9.349 44.513 ( 5.392 3.215 -6.928) 9.349 ======================= Grid point 119 (64/80) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 16.358 -10.493 -9.787) 21.760 1.560 ( 16.358 10.493 -9.787) 21.760 2.088 ( -0.833 -5.938 -7.429) 9.547 2.088 ( -0.833 5.938 -7.429) 9.547 2.463 ( -3.973 -10.629 4.295) 12.133 2.463 ( -3.973 10.629 4.295) 12.133 2.716 ( 2.615 -1.594 4.131) 5.142 2.716 ( 2.615 1.594 4.131) 5.142 3.108 ( 3.066 -13.947 -6.954) 15.884 3.108 ( 3.066 13.947 -6.954) 15.884 3.306 ( -3.042 -6.594 2.157) 7.575 3.306 ( -3.042 6.594 2.157) 7.575 3.420 ( 0.571 -3.552 5.337) 6.437 3.420 ( 0.571 3.552 5.337) 6.437 3.652 ( -4.328 -1.528 -0.377) 4.605 3.652 ( -4.328 1.528 -0.377) 4.605 3.977 ( -1.150 -9.904 12.018) 15.615 3.977 ( -1.150 9.904 12.018) 15.615 4.257 ( -2.884 -5.258 2.200) 6.388 4.257 ( -2.884 5.258 2.200) 6.388 4.429 ( 1.507 -6.946 8.107) 10.781 4.429 ( 1.507 6.946 8.107) 10.781 4.751 ( 1.806 -3.439 1.447) 4.145 4.751 ( 1.806 3.439 1.447) 4.145 4.976 ( -3.497 -1.632 8.573) 9.401 4.976 ( -3.497 1.632 8.573) 9.401 5.176 ( 4.006 -6.748 -4.170) 8.887 5.176 ( 4.006 6.748 -4.170) 8.887 5.530 ( 4.101 -3.477 2.810) 6.067 5.530 ( 4.101 3.477 2.810) 6.067 5.720 ( -2.858 -7.368 -6.726) 10.377 5.720 ( -2.858 7.368 -6.726) 10.377 6.012 ( -5.732 -1.139 11.735) 13.109 6.012 ( -5.732 1.139 11.735) 13.109 6.185 ( -2.845 -6.473 -3.638) 7.952 6.185 ( -2.845 6.473 -3.638) 7.952 6.724 ( 3.123 -5.829 -3.698) 7.576 6.724 ( 3.123 5.829 -3.698) 7.576 7.038 ( 5.220 -6.162 -15.177) 17.191 7.038 ( 5.220 6.162 -15.177) 17.191 7.290 ( 0.057 -11.082 3.950) 11.765 7.290 ( 0.057 11.082 3.950) 11.765 7.407 ( -1.504 -16.120 -0.730) 16.206 7.407 ( -1.504 16.120 -0.730) 16.206 7.604 ( 0.547 -14.385 -7.888) 16.415 7.604 ( 0.547 14.385 -7.888) 16.415 7.768 ( -4.424 -2.803 7.465) 9.119 7.768 ( -4.424 2.803 7.465) 9.119 8.240 ( -4.187 -16.934 -4.701) 18.066 8.240 ( -4.187 16.934 -4.701) 18.066 8.524 ( -2.036 -12.775 5.940) 14.234 8.524 ( -2.036 12.775 5.940) 14.234 8.693 ( 7.975 -8.856 -7.296) 13.974 8.693 ( 7.975 8.856 -7.296) 13.974 8.801 ( 9.873 -6.190 -1.196) 11.714 8.801 ( 9.873 6.190 -1.196) 11.714 9.435 ( -0.852 -6.287 2.950) 6.997 9.435 ( -0.852 6.287 2.950) 6.997 9.574 ( -5.531 -3.206 -1.685) 6.611 9.574 ( -5.531 3.206 -1.685) 6.611 10.036 ( 1.264 -4.946 0.086) 5.105 10.036 ( 1.264 4.946 0.086) 5.105 10.175 ( 5.797 -7.554 9.909) 13.743 10.175 ( 5.797 7.554 9.909) 13.743 11.212 ( -1.545 -5.459 -1.960) 6.002 11.212 ( -1.545 5.459 -1.960) 6.002 11.287 ( 0.142 -4.473 -1.004) 4.587 11.287 ( 0.142 4.473 -1.004) 4.587 11.906 ( -2.498 -4.830 -0.998) 5.529 11.906 ( -2.498 4.830 -0.998) 5.529 12.108 ( -0.285 -3.893 -2.438) 4.602 12.108 ( -0.285 3.893 -2.438) 4.602 12.977 ( -1.646 -4.561 1.547) 5.090 12.977 ( -1.646 4.561 1.547) 5.090 13.054 ( 1.481 -4.014 3.774) 5.705 13.054 ( 1.481 4.014 3.774) 5.705 13.681 ( 3.441 -1.475 -1.641) 4.088 13.681 ( 3.441 1.475 -1.641) 4.088 13.957 ( -1.377 -1.537 -4.013) 4.513 13.957 ( -1.377 1.537 -4.013) 4.513 14.613 ( 0.631 -11.675 0.803) 11.719 14.613 ( 0.631 11.675 0.803) 11.719 14.876 ( 1.420 -6.430 2.356) 6.994 14.876 ( 1.420 6.430 2.356) 6.994 15.151 ( -7.596 -10.267 -5.192) 13.787 15.151 ( -7.596 10.267 -5.192) 13.787 15.704 ( -0.673 -5.626 0.844) 5.729 15.704 ( -0.673 5.626 0.844) 5.729 16.172 ( 2.517 -9.329 13.078) 16.261 16.172 ( 2.517 9.329 13.078) 16.261 16.286 ( 3.789 -8.282 4.412) 10.121 16.286 ( 3.789 8.282 4.412) 10.121 17.200 ( -12.164 -2.636 -15.068) 19.544 17.200 ( -12.164 2.636 -15.068) 19.544 17.504 ( -4.156 -6.302 1.472) 7.691 17.504 ( -4.156 6.302 1.472) 7.691 17.943 ( -2.356 -5.968 -2.538) 6.900 17.943 ( -2.356 5.968 -2.538) 6.900 18.079 ( 3.408 -13.414 -0.056) 13.841 18.079 ( 3.408 13.414 -0.056) 13.841 18.347 ( -3.438 -1.692 -3.847) 5.429 18.347 ( -3.438 1.692 -3.847) 5.429 18.502 ( 0.022 -1.489 3.771) 4.055 18.502 ( 0.022 1.489 3.771) 4.055 18.765 ( -0.382 -4.489 5.363) 7.004 18.765 ( -0.382 4.489 5.363) 7.004 19.162 ( 0.958 -7.629 -10.460) 12.982 19.162 ( 0.958 7.629 -10.460) 12.982 19.236 ( 1.909 -4.051 -1.839) 4.841 19.236 ( 1.909 4.051 -1.839) 4.841 19.289 ( 5.955 -3.250 -1.625) 6.976 19.289 ( 5.955 3.250 -1.625) 6.976 19.603 ( -0.640 -5.635 -2.216) 6.089 19.603 ( -0.640 5.635 -2.216) 6.089 19.761 ( -0.043 -3.534 2.636) 4.409 19.761 ( -0.043 3.534 2.636) 4.409 20.186 ( 1.983 -1.379 3.190) 4.001 20.186 ( 1.983 1.379 3.190) 4.001 20.340 ( 4.106 -9.105 -5.318) 11.315 20.340 ( 4.105 9.105 -5.318) 11.315 20.428 ( -6.430 -5.080 -4.152) 9.186 20.428 ( -6.430 5.080 -4.152) 9.186 21.009 ( 6.429 -12.681 1.472) 14.293 21.009 ( 6.429 12.681 1.472) 14.293 22.357 ( 0.674 -0.393 0.451) 0.901 22.357 ( 0.674 0.393 0.451) 0.901 22.416 ( 0.445 -1.258 1.607) 2.089 22.416 ( 0.445 1.258 1.607) 2.089 22.975 ( -0.278 -2.851 0.481) 2.905 22.975 ( -0.278 2.851 0.481) 2.905 23.016 ( 0.405 -3.020 -0.995) 3.206 23.016 ( 0.405 3.020 -0.995) 3.206 24.302 ( -3.588 -6.964 5.272) 9.443 24.302 ( -3.588 6.964 5.272) 9.443 24.880 ( -4.820 -10.686 -3.193) 12.150 24.880 ( -4.820 10.686 -3.193) 12.150 25.646 ( 9.743 -14.205 18.061) 24.958 25.646 ( 9.743 14.205 18.061) 24.958 25.981 ( 3.367 -7.874 -7.493) 11.379 25.981 ( 3.367 7.874 -7.493) 11.379 26.838 ( -14.213 -9.690 6.036) 18.230 26.838 ( -14.213 9.690 6.036) 18.230 27.337 ( -0.159 -6.420 -7.765) 10.076 27.337 ( -0.159 6.420 -7.765) 10.076 27.670 ( -4.393 -13.848 -1.429) 14.598 27.670 ( -4.393 13.848 -1.429) 14.598 27.960 ( 1.196 -9.212 2.449) 9.607 27.960 ( 1.196 9.212 2.449) 9.607 28.476 ( -0.877 -3.753 11.838) 12.449 28.476 ( -0.877 3.753 11.838) 12.449 28.816 ( 1.141 -8.831 -3.864) 9.707 28.816 ( 1.141 8.831 -3.864) 9.707 28.992 ( 0.180 -5.103 -6.039) 7.908 28.992 ( 0.180 5.103 -6.039) 7.908 29.282 ( 7.617 -3.955 -7.230) 11.222 29.282 ( 7.617 3.955 -7.230) 11.222 30.658 ( -1.065 -6.621 8.598) 10.904 30.658 ( -1.065 6.621 8.598) 10.904 31.157 ( -3.572 -9.012 -3.123) 10.185 31.157 ( -3.572 9.012 -3.123) 10.185 31.469 ( -1.873 -7.621 6.814) 10.393 31.469 ( -1.873 7.621 6.814) 10.393 32.110 ( 4.418 -5.340 4.344) 8.180 32.110 ( 4.418 5.340 4.344) 8.180 32.581 ( -2.310 -6.252 3.120) 7.359 32.581 ( -2.310 6.252 3.120) 7.359 33.003 ( 1.983 -2.499 -9.193) 9.731 33.003 ( 1.983 2.499 -9.193) 9.731 33.786 ( -4.506 -2.978 6.515) 8.463 33.786 ( -4.506 2.978 6.515) 8.463 34.318 ( 4.076 -2.357 -12.867) 13.702 34.318 ( 4.076 2.357 -12.867) 13.702 37.681 ( -1.304 -3.985 0.850) 4.278 37.681 ( -1.304 3.985 0.850) 4.278 37.993 ( 2.734 -6.570 -3.483) 7.923 37.993 ( 2.734 6.570 -3.483) 7.923 39.245 ( -0.368 -2.784 3.152) 4.221 39.245 ( -0.368 2.784 3.152) 4.221 39.329 ( -0.089 -8.782 0.203) 8.785 39.329 ( -0.089 8.782 0.203) 8.785 39.506 ( -3.339 -3.123 1.253) 4.740 39.506 ( -3.339 3.123 1.253) 4.740 39.568 ( -0.155 -2.920 -0.502) 2.967 39.568 ( -0.155 2.920 -0.502) 2.967 39.691 ( 0.270 -2.293 -0.062) 2.310 39.691 ( 0.270 2.293 -0.062) 2.310 40.085 ( -4.420 -8.682 -1.312) 9.830 40.085 ( -4.420 8.682 -1.312) 9.830 40.484 ( -2.629 -12.717 -3.887) 13.556 40.484 ( -2.629 12.717 -3.887) 13.556 40.915 ( 3.675 -7.657 -2.392) 8.824 40.915 ( 3.675 7.657 -2.392) 8.824 41.779 ( 2.288 -8.336 -2.970) 9.140 41.779 ( 2.288 8.336 -2.970) 9.140 42.261 ( -0.990 -10.910 0.594) 10.971 42.261 ( -0.990 10.910 0.594) 10.971 42.992 ( 2.433 -9.101 6.569) 11.485 42.992 ( 2.433 9.101 6.569) 11.485 43.515 ( 5.785 -2.035 -0.818) 6.186 43.515 ( 5.785 2.035 -0.818) 6.186 44.022 ( -5.998 -4.408 3.709) 8.316 44.022 ( -5.998 4.408 3.709) 8.316 44.637 ( 9.455 -3.885 1.511) 10.334 44.637 ( 9.455 3.885 1.511) 10.334 ======================= Grid point 133 (65/80) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -10.871 0.000 -10.170) 14.886 1.648 ( 10.871 0.000 10.170) 14.886 2.037 ( -17.932 0.000 0.381) 17.936 2.037 ( 17.932 0.000 -0.381) 17.936 2.496 ( -6.775 0.000 0.276) 6.780 2.496 ( 6.775 0.000 -0.276) 6.780 2.811 ( -4.470 0.000 1.171) 4.621 2.811 ( 4.470 0.000 -1.171) 4.621 3.045 ( 4.881 0.000 -2.399) 5.439 3.045 ( -4.881 0.000 2.399) 5.439 3.135 ( -8.443 0.000 -6.421) 10.607 3.135 ( 8.443 0.000 6.421) 10.607 3.470 ( -5.821 0.000 -15.937) 16.967 3.470 ( 5.821 0.000 15.937) 16.967 3.686 ( -0.986 0.000 -6.047) 6.127 3.686 ( 0.986 0.000 6.047) 6.127 4.095 ( -22.152 0.000 -19.977) 29.829 4.095 ( 22.152 0.000 19.977) 29.829 4.193 ( -15.598 0.000 -4.379) 16.201 4.193 ( 15.598 0.000 4.379) 16.201 4.358 ( -12.397 0.000 -2.653) 12.678 4.358 ( 12.397 0.000 2.653) 12.678 4.657 ( -11.609 0.000 -2.152) 11.806 4.657 ( 11.609 0.000 2.152) 11.806 4.894 ( -5.484 0.000 -3.656) 6.591 4.894 ( 5.484 0.000 3.656) 6.591 5.272 ( -0.556 0.000 -3.749) 3.790 5.272 ( 0.556 0.000 3.749) 3.790 5.341 ( 8.963 0.000 -14.880) 17.371 5.341 ( -8.963 0.000 14.880) 17.371 5.529 ( 2.667 0.000 -4.753) 5.450 5.529 ( -2.667 0.000 4.753) 5.450 5.887 ( 5.712 0.000 -2.881) 6.397 5.887 ( -5.712 0.000 2.881) 6.397 6.323 ( 9.227 0.000 -22.133) 23.979 6.323 ( -9.227 0.000 22.133) 23.979 6.460 ( 2.800 0.000 -5.455) 6.131 6.460 ( -2.800 0.000 5.455) 6.131 6.743 ( 3.264 0.000 -7.770) 8.427 6.743 ( -3.264 0.000 7.770) 8.427 7.261 ( 2.115 0.000 -2.531) 3.298 7.261 ( -2.115 0.000 2.531) 3.298 7.496 ( -1.631 0.000 -19.619) 19.686 7.496 ( 1.631 0.000 19.619) 19.686 7.758 ( 4.144 0.000 -2.648) 4.918 7.758 ( -4.144 0.000 2.648) 4.918 7.889 ( 14.509 0.000 -9.066) 17.109 7.889 ( -14.509 0.000 9.066) 17.109 8.106 ( 7.813 0.000 -11.377) 13.801 8.106 ( -7.813 0.000 11.377) 13.801 8.556 ( 1.460 0.000 -1.336) 1.979 8.556 ( -1.460 0.000 1.336) 1.979 8.935 ( 5.927 0.000 -2.410) 6.398 8.935 ( -5.927 0.000 2.410) 6.398 9.079 ( 1.846 0.000 -1.674) 2.492 9.079 ( -1.846 0.000 1.674) 2.492 9.305 ( -4.409 0.000 -2.196) 4.926 9.305 ( 4.409 0.000 2.196) 4.926 9.502 ( -10.770 0.000 -7.170) 12.938 9.502 ( 10.770 0.000 7.170) 12.938 9.922 ( -6.465 0.000 -18.571) 19.664 9.922 ( 6.465 0.000 18.571) 19.664 10.287 ( -0.407 0.000 -1.147) 1.217 10.287 ( 0.407 0.000 1.147) 1.217 11.168 ( 2.296 0.000 -1.996) 3.042 11.168 ( -2.296 0.000 1.996) 3.042 11.343 ( -5.070 0.000 -0.442) 5.089 11.343 ( 5.070 0.000 0.442) 5.089 12.044 ( 0.655 0.000 -5.651) 5.689 12.044 ( -0.655 0.000 5.651) 5.689 12.242 ( -7.216 0.000 -4.121) 8.310 12.242 ( 7.216 0.000 4.121) 8.310 13.017 ( -3.904 0.000 -1.037) 4.039 13.017 ( 3.904 0.000 1.037) 4.039 13.435 ( 7.288 0.000 -4.435) 8.532 13.435 ( -7.288 0.000 4.435) 8.532 13.686 ( -1.059 0.000 -2.560) 2.771 13.686 ( 1.059 0.000 2.560) 2.771 13.766 ( -4.140 0.000 -1.288) 4.336 13.766 ( 4.140 0.000 1.288) 4.336 14.080 ( 1.588 0.000 -3.055) 3.443 14.080 ( -1.588 0.000 3.055) 3.443 15.041 ( -4.624 0.000 -0.037) 4.624 15.041 ( 4.624 0.000 0.037) 4.624 15.306 ( -7.473 0.000 -9.531) 12.112 15.306 ( 7.473 0.000 9.531) 12.112 15.420 ( -6.708 0.000 -2.524) 7.167 15.420 ( 6.708 0.000 2.524) 7.167 16.019 ( 1.077 0.000 -5.586) 5.689 16.019 ( -1.077 0.000 5.586) 5.689 16.565 ( -6.429 0.000 -0.734) 6.471 16.565 ( 6.429 0.000 0.734) 6.471 16.750 ( -2.990 0.000 -2.142) 3.678 16.750 ( 2.990 0.000 2.142) 3.678 17.354 ( 1.624 0.000 -1.530) 2.231 17.354 ( -1.624 0.000 1.530) 2.231 18.107 ( -2.192 0.000 -1.634) 2.734 18.107 ( 2.192 0.000 1.634) 2.734 18.228 ( 9.933 0.000 -14.183) 17.316 18.228 ( -9.933 0.000 14.183) 17.316 18.366 ( 3.619 0.000 -1.725) 4.009 18.366 ( -3.619 0.000 1.725) 4.009 18.633 ( 0.221 0.000 -2.597) 2.606 18.633 ( -0.221 0.000 2.597) 2.606 18.903 ( 3.988 0.000 -13.912) 14.472 18.903 ( -3.988 0.000 13.912) 14.472 19.068 ( -0.756 0.000 -1.183) 1.404 19.068 ( 0.756 0.000 1.183) 1.404 19.190 ( 0.329 0.000 -9.289) 9.295 19.190 ( -0.329 0.000 9.289) 9.295 19.371 ( -5.800 0.000 -1.101) 5.903 19.371 ( 5.800 0.000 1.101) 5.903 19.537 ( -0.743 0.000 -1.978) 2.113 19.537 ( 0.743 0.000 1.978) 2.113 20.010 ( -0.071 0.000 -9.108) 9.109 20.010 ( 0.071 0.000 9.108) 9.109 20.178 ( -12.096 0.000 -0.560) 12.109 20.178 ( 12.096 0.000 0.560) 12.109 20.390 ( -4.157 0.000 -5.765) 7.107 20.390 ( 4.157 0.000 5.765) 7.107 20.757 ( -2.623 0.000 -3.416) 4.307 20.757 ( 2.623 0.000 3.416) 4.307 21.039 ( -7.982 0.000 -25.134) 26.371 21.039 ( 7.982 0.000 25.134) 26.371 22.401 ( 0.479 0.000 -0.636) 0.796 22.401 ( -0.479 0.000 0.636) 0.796 22.470 ( 0.593 0.000 -1.617) 1.722 22.470 ( -0.593 0.000 1.617) 1.722 22.852 ( 0.339 0.000 -0.365) 0.498 22.852 ( -0.339 0.000 0.365) 0.498 23.117 ( 0.394 0.000 -1.189) 1.252 23.117 ( -0.394 0.000 1.189) 1.252 23.863 ( 3.696 0.000 -3.207) 4.893 23.863 ( -3.696 0.000 3.207) 4.893 25.075 ( -20.073 0.000 -10.792) 22.790 25.075 ( 20.073 0.000 10.792) 22.790 25.434 ( -0.124 0.000 -14.104) 14.105 25.434 ( 0.124 0.000 14.104) 14.105 25.653 ( -2.412 0.000 -15.941) 16.122 25.653 ( 2.412 0.000 15.941) 16.122 26.738 ( -5.886 0.000 -6.381) 8.681 26.738 ( 5.886 0.000 6.381) 8.681 27.035 ( 1.888 0.000 -5.211) 5.542 27.035 ( -1.888 0.000 5.211) 5.542 27.412 ( 2.833 0.000 -21.376) 21.563 27.412 ( -2.833 0.000 21.376) 21.563 28.340 ( -6.273 0.000 0.081) 6.274 28.340 ( 6.273 0.000 -0.081) 6.274 28.563 ( 7.990 0.000 -7.318) 10.835 28.563 ( -7.990 0.000 7.318) 10.835 29.010 ( 9.916 0.000 -14.607) 17.655 29.010 ( -9.916 0.000 14.607) 17.655 29.283 ( 1.012 0.000 -4.254) 4.373 29.283 ( -1.012 0.000 4.254) 4.373 29.413 ( -1.711 0.000 -5.032) 5.315 29.413 ( 1.711 0.000 5.032) 5.315 30.018 ( 4.306 0.000 -6.264) 7.601 30.018 ( -4.306 0.000 6.264) 7.601 31.240 ( -5.487 0.000 -2.438) 6.004 31.240 ( 5.487 0.000 2.438) 6.004 31.431 ( 10.049 0.000 -6.535) 11.987 31.431 ( -10.049 0.000 6.535) 11.987 32.368 ( -8.968 0.000 -10.941) 14.147 32.368 ( 8.968 0.000 10.941) 14.147 32.711 ( 1.076 0.000 -2.038) 2.304 32.711 ( -1.076 0.000 2.038) 2.304 32.885 ( 6.765 0.000 -2.640) 7.262 32.885 ( -6.765 0.000 2.640) 7.262 33.920 ( 7.978 0.000 -13.736) 15.885 33.920 ( -7.978 0.000 13.736) 15.885 34.259 ( 8.064 0.000 -7.143) 10.773 34.259 ( -8.064 0.000 7.143) 10.773 37.682 ( -2.965 0.000 -2.698) 4.008 37.682 ( 2.965 0.000 2.698) 4.008 37.980 ( -0.757 0.000 -8.157) 8.192 37.980 ( 0.757 0.000 8.157) 8.192 38.932 ( -1.569 0.000 0.344) 1.606 38.932 ( 1.569 0.000 -0.344) 1.606 39.164 ( -2.704 0.000 -0.771) 2.812 39.164 ( 2.704 0.000 0.771) 2.812 39.482 ( -4.740 0.000 -5.314) 7.121 39.482 ( 4.740 0.000 5.314) 7.121 39.628 ( -6.888 0.000 0.946) 6.953 39.628 ( 6.888 0.000 -0.946) 6.953 39.885 ( 0.524 0.000 -0.780) 0.940 39.885 ( -0.524 0.000 0.780) 0.940 40.204 ( -9.796 0.000 -10.368) 14.264 40.204 ( 9.796 0.000 10.368) 14.264 40.402 ( -13.022 0.000 -16.433) 20.967 40.402 ( 13.022 0.000 16.433) 20.967 40.962 ( -13.349 0.000 1.545) 13.438 40.962 ( 13.349 0.000 -1.545) 13.438 41.922 ( 8.534 0.000 -9.928) 13.092 41.922 ( -8.534 0.000 9.928) 13.092 42.396 ( -0.027 0.000 -2.444) 2.444 42.396 ( 0.027 0.000 2.444) 2.444 43.256 ( 4.965 0.000 -9.873) 11.051 43.256 ( -4.965 0.000 9.873) 11.051 43.523 ( 10.036 0.000 -5.889) 11.636 43.523 ( -10.036 0.000 5.889) 11.636 43.802 ( 7.371 0.000 -19.540) 20.885 43.802 ( -7.371 0.000 19.540) 20.885 44.726 ( 0.461 0.000 -0.744) 0.875 44.726 ( -0.461 0.000 0.744) 0.875 ======================= Grid point 135 (66/80) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -11.795 0.000 -9.626) 15.225 1.571 ( -31.602 0.000 6.978) 32.364 1.892 ( 0.939 0.000 4.420) 4.519 2.169 ( -3.270 0.000 -2.011) 3.839 2.245 ( -6.327 0.000 -42.368) 42.838 2.394 ( -13.517 0.000 -24.333) 27.835 2.704 ( -7.207 0.000 -0.964) 7.271 2.754 ( -1.895 0.000 -20.115) 20.204 2.830 ( -8.335 0.000 -9.079) 12.325 2.895 ( -2.325 0.000 -1.653) 2.853 3.007 ( 0.636 0.000 -5.037) 5.077 3.314 ( 4.512 0.000 5.181) 6.870 3.407 ( -0.407 0.000 1.144) 1.214 3.535 ( -3.688 0.000 -14.568) 15.028 3.697 ( -4.017 0.000 -0.490) 4.046 3.700 ( 5.643 0.000 8.574) 10.265 3.750 ( -3.474 0.000 -3.456) 4.900 3.959 ( -5.877 0.000 1.057) 5.971 4.189 ( -6.058 0.000 6.309) 8.746 4.411 ( 7.716 0.000 -1.622) 7.885 4.475 ( -7.058 0.000 6.449) 9.561 4.605 ( 6.928 0.000 4.867) 8.467 4.656 ( 11.492 0.000 12.551) 17.017 4.728 ( -0.537 0.000 -5.461) 5.487 4.994 ( 7.684 0.000 2.189) 7.990 5.038 ( 13.358 0.000 24.884) 28.242 5.254 ( 1.703 0.000 -16.324) 16.412 5.259 ( 0.538 0.000 7.164) 7.184 5.373 ( -3.941 0.000 13.772) 14.325 5.373 ( 0.625 0.000 6.261) 6.292 5.608 ( 4.053 0.000 7.903) 8.882 5.624 ( 2.980 0.000 -0.799) 3.085 5.805 ( 3.186 0.000 0.324) 3.202 5.870 ( -3.617 0.000 -2.577) 4.441 6.320 ( 8.280 0.000 -22.295) 23.783 6.398 ( -8.252 0.000 5.164) 9.734 6.412 ( -0.870 0.000 -2.537) 2.682 6.420 ( -3.648 0.000 22.577) 22.870 6.700 ( 2.269 0.000 -10.990) 11.222 6.723 ( -5.823 0.000 5.655) 8.117 7.120 ( -3.902 0.000 -10.446) 11.151 7.208 ( -1.476 0.000 -5.816) 6.000 7.398 ( -1.033 0.000 -2.063) 2.307 7.503 ( -13.529 0.000 3.631) 14.008 7.681 ( -7.675 0.000 10.077) 12.666 7.882 ( 3.792 0.000 3.327) 5.045 7.951 ( -2.021 0.000 7.386) 7.657 8.022 ( 7.115 0.000 -13.591) 15.341 8.098 ( 9.178 0.000 -11.501) 14.714 8.103 ( 2.716 0.000 14.543) 14.794 8.502 ( -7.183 0.000 2.956) 7.767 8.557 ( 0.056 0.000 -0.153) 0.163 8.735 ( -13.565 0.000 -9.078) 16.322 8.952 ( 2.015 0.000 -4.685) 5.100 9.084 ( -0.266 0.000 4.363) 4.371 9.118 ( 2.942 0.000 0.067) 2.942 9.264 ( -0.586 0.000 -3.646) 3.693 9.340 ( 1.520 0.000 1.754) 2.321 9.362 ( -0.824 0.000 -6.266) 6.320 9.505 ( -1.307 0.000 -13.161) 13.226 9.951 ( 12.543 0.000 12.076) 17.412 10.121 ( 0.807 0.000 7.674) 7.716 10.336 ( 3.019 0.000 2.718) 4.062 10.405 ( 5.825 0.000 9.534) 11.173 11.106 ( -4.344 0.000 -0.990) 4.456 11.158 ( 0.771 0.000 -2.092) 2.230 11.269 ( -3.231 0.000 -1.284) 3.477 11.447 ( 5.264 0.000 2.561) 5.853 11.956 ( -5.034 0.000 -5.335) 7.335 12.067 ( -2.067 0.000 5.043) 5.450 12.184 ( 2.730 0.000 -0.298) 2.746 12.425 ( 7.402 0.000 5.189) 9.040 12.903 ( -5.372 0.000 -4.551) 7.041 13.045 ( 0.594 0.000 -2.809) 2.871 13.370 ( -5.084 0.000 6.677) 8.392 13.486 ( 2.905 0.000 -4.604) 5.443 13.612 ( -3.171 0.000 -4.052) 5.145 13.742 ( 0.015 0.000 3.908) 3.908 13.744 ( 1.909 0.000 2.809) 3.396 13.802 ( -1.178 0.000 0.692) 1.366 14.132 ( 6.558 0.000 -3.015) 7.218 14.155 ( 6.725 0.000 2.295) 7.106 14.857 ( -10.195 0.000 -4.150) 11.007 15.028 ( -1.532 0.000 -5.564) 5.771 15.239 ( 2.661 0.000 -3.863) 4.691 15.269 ( -7.731 0.000 -0.032) 7.731 15.518 ( 3.408 0.000 2.258) 4.089 15.598 ( 11.308 0.000 13.434) 17.560 16.060 ( 4.548 0.000 0.342) 4.561 16.147 ( 5.502 0.000 13.545) 14.620 16.435 ( -3.301 0.000 -9.454) 10.014 16.591 ( 1.261 0.000 -13.148) 13.208 16.730 ( -0.646 0.000 8.565) 8.590 16.869 ( 3.179 0.000 14.956) 15.290 17.328 ( -2.962 0.000 -3.903) 4.900 17.349 ( 0.579 0.000 0.227) 0.622 17.971 ( -14.939 0.000 0.452) 14.946 17.987 ( -4.157 0.000 -8.801) 9.733 18.206 ( 1.005 0.000 -14.637) 14.671 18.226 ( -3.047 0.000 5.991) 6.721 18.376 ( 1.165 0.000 4.623) 4.768 18.417 ( 5.722 0.000 -7.981) 9.820 18.626 ( 1.629 0.000 -3.872) 4.200 18.671 ( 1.587 0.000 2.764) 3.187 18.858 ( 3.271 0.000 -10.633) 11.125 18.953 ( -1.347 0.000 5.914) 6.066 19.041 ( 0.519 0.000 -6.904) 6.924 19.109 ( -1.731 0.000 6.658) 6.880 19.144 ( 2.180 0.000 -2.225) 3.115 19.221 ( -6.114 0.000 6.937) 9.247 19.269 ( -0.978 0.000 0.275) 1.016 19.457 ( 3.628 0.000 0.833) 3.722 19.511 ( 1.222 0.000 -5.908) 6.033 19.566 ( 2.147 0.000 -2.698) 3.448 19.896 ( -8.708 0.000 -4.353) 9.735 20.075 ( 3.394 0.000 0.099) 3.395 20.111 ( -0.866 0.000 4.380) 4.464 20.235 ( -1.477 0.000 -0.423) 1.537 20.394 ( 8.910 0.000 0.312) 8.916 20.455 ( -1.409 0.000 4.389) 4.610 20.732 ( -6.818 0.000 -14.515) 16.036 20.734 ( 1.736 0.000 -1.551) 2.327 20.876 ( 8.443 0.000 1.773) 8.627 21.362 ( 0.977 0.000 27.041) 27.058 22.388 ( -1.207 0.000 0.356) 1.259 22.401 ( 0.581 0.000 -0.832) 1.014 22.485 ( 1.921 0.000 -0.566) 2.002 22.501 ( 1.805 0.000 2.398) 3.001 22.855 ( 0.167 0.000 0.735) 0.754 22.860 ( 0.811 0.000 -0.249) 0.848 23.110 ( 0.266 0.000 -1.475) 1.499 23.113 ( -0.923 0.000 0.473) 1.037 23.869 ( -0.165 0.000 6.906) 6.908 23.924 ( 5.287 0.000 -1.089) 5.398 24.639 ( -18.601 0.000 -7.205) 19.947 25.100 ( -10.838 0.000 -13.656) 17.434 25.516 ( 4.329 0.000 -8.432) 9.478 25.555 ( 1.198 0.000 8.870) 8.950 25.644 ( 19.291 0.000 0.955) 19.315 25.856 ( 3.969 0.000 16.797) 17.260 26.620 ( -0.398 0.000 -6.982) 6.994 26.753 ( -11.144 0.000 -3.760) 11.761 26.928 ( 1.602 0.000 -19.649) 19.714 27.085 ( 5.857 0.000 9.593) 11.240 27.351 ( 6.236 0.000 -11.298) 12.905 27.551 ( -3.226 0.000 17.872) 18.161 28.237 ( -5.181 0.000 2.196) 5.627 28.384 ( 0.162 0.000 -2.406) 2.411 28.560 ( -1.792 0.000 10.308) 10.462 28.689 ( 12.765 0.000 -8.835) 15.524 28.926 ( -11.354 0.000 10.312) 15.338 28.986 ( 4.851 0.000 -18.810) 19.426 29.243 ( -0.710 0.000 -4.621) 4.675 29.270 ( -3.609 0.000 1.520) 3.916 29.387 ( 2.113 0.000 -1.358) 2.511 29.495 ( 1.076 0.000 6.144) 6.238 30.058 ( 0.009 0.000 10.419) 10.419 30.099 ( 9.252 0.000 -2.630) 9.619 31.131 ( -5.389 0.000 -0.023) 5.389 31.377 ( 7.630 0.000 4.702) 8.963 31.407 ( -3.365 0.000 13.096) 13.521 31.602 ( 10.835 0.000 1.074) 10.889 32.069 ( -12.016 0.000 -14.247) 18.638 32.512 ( 2.059 0.000 -3.389) 3.965 32.651 ( -4.695 0.000 -2.700) 5.416 32.680 ( -1.311 0.000 -0.475) 1.395 32.824 ( -2.660 0.000 2.318) 3.528 32.970 ( 4.604 0.000 -2.212) 5.107 33.905 ( -7.886 0.000 14.463) 16.473 33.929 ( 6.609 0.000 -13.201) 14.763 34.190 ( -7.409 0.000 8.669) 11.404 34.320 ( 6.476 0.000 -8.501) 10.687 37.611 ( -2.434 0.000 -2.059) 3.188 37.713 ( -1.488 0.000 -1.077) 1.836 37.953 ( 4.771 0.000 -3.422) 5.871 38.068 ( 0.390 0.000 8.457) 8.466 38.912 ( -0.863 0.000 0.287) 0.909 38.944 ( 0.385 0.000 -1.310) 1.365 39.154 ( 0.342 0.000 3.409) 3.426 39.239 ( 3.181 0.000 3.398) 4.654 39.359 ( -2.343 0.000 -7.322) 7.688 39.495 ( -8.047 0.000 0.130) 8.048 39.598 ( 3.870 0.000 1.614) 4.193 39.687 ( 1.302 0.000 -5.366) 5.522 39.837 ( -2.946 0.000 -5.082) 5.874 39.876 ( -0.738 0.000 -0.183) 0.760 39.960 ( -7.227 0.000 -7.907) 10.713 40.149 ( -1.739 0.000 -8.170) 8.353 40.448 ( 6.398 0.000 10.769) 12.526 40.707 ( -4.833 0.000 8.865) 10.097 40.891 ( 9.737 0.000 14.734) 17.661 41.213 ( 15.406 0.000 2.232) 15.567 41.880 ( -6.866 0.000 11.587) 13.469 41.990 ( 6.950 0.000 -5.264) 8.718 42.340 ( -1.735 0.000 -5.894) 6.144 42.362 ( -4.391 0.000 -3.204) 5.435 43.150 ( -8.643 0.000 -8.729) 12.284 43.159 ( -15.318 0.000 8.134) 17.344 43.362 ( -11.277 0.000 5.158) 12.400 43.525 ( 1.695 0.000 -15.151) 15.245 43.851 ( 12.640 0.000 -8.488) 15.225 43.883 ( -3.638 0.000 19.165) 19.507 44.649 ( -5.375 0.000 -7.911) 9.564 44.675 ( -4.082 0.000 -3.248) 5.217 ======================= Grid point 136 (67/80) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -32.299 0.000 7.788) 33.225 1.124 ( -2.627 0.000 -13.999) 14.243 1.523 ( -17.871 0.000 -43.483) 47.012 1.647 ( -28.715 0.000 -46.519) 54.668 1.902 ( -6.390 0.000 -2.192) 6.755 1.957 ( -10.403 0.000 -9.537) 14.113 2.633 ( -1.459 0.000 0.933) 1.732 2.696 ( 2.370 0.000 -1.094) 2.610 2.800 ( 3.139 0.000 2.847) 4.237 2.835 ( -2.550 0.000 0.398) 2.581 2.991 ( 2.847 0.000 -7.298) 7.834 3.308 ( -10.117 0.000 2.067) 10.326 3.371 ( -3.823 0.000 2.571) 4.608 3.451 ( 3.575 0.000 -10.423) 11.019 3.621 ( 1.271 0.000 -3.355) 3.588 3.724 ( -1.206 0.000 2.373) 2.662 3.807 ( 4.137 0.000 -3.262) 5.268 3.932 ( -2.620 0.000 1.560) 3.049 4.261 ( -0.951 0.000 20.709) 20.730 4.420 ( -3.777 0.000 7.192) 8.123 4.436 ( 1.472 0.000 -8.706) 8.830 4.679 ( 3.980 0.000 8.468) 9.357 4.765 ( 6.767 0.000 -17.964) 19.196 4.797 ( 4.414 0.000 0.511) 4.443 5.087 ( -3.948 0.000 -10.434) 11.156 5.200 ( 5.700 0.000 2.238) 6.123 5.272 ( -8.125 0.000 7.229) 10.875 5.396 ( 1.047 0.000 17.913) 17.944 5.463 ( 1.906 0.000 1.158) 2.230 5.534 ( 9.255 0.000 10.516) 14.009 5.632 ( 3.231 0.000 12.772) 13.174 5.729 ( -0.258 0.000 3.877) 3.885 5.805 ( 0.858 0.000 3.614) 3.715 5.994 ( 10.428 0.000 -3.773) 11.090 6.255 ( 5.179 0.000 -4.676) 6.977 6.335 ( -4.294 0.000 7.992) 9.072 6.347 ( 1.540 0.000 -16.486) 16.558 6.553 ( -6.388 0.000 26.325) 27.089 6.644 ( -6.552 0.000 -0.211) 6.556 6.716 ( 8.304 0.000 -8.683) 12.015 7.041 ( 1.030 0.000 -4.347) 4.467 7.130 ( -2.183 0.000 -6.424) 6.784 7.259 ( -12.559 0.000 2.107) 12.735 7.326 ( -6.579 0.000 -0.565) 6.603 7.735 ( 3.948 0.000 5.851) 7.059 7.771 ( -3.018 0.000 -11.371) 11.765 7.917 ( -5.505 0.000 10.166) 11.561 8.040 ( -2.055 0.000 -6.282) 6.610 8.098 ( -10.955 0.000 -9.474) 14.483 8.162 ( -0.090 0.000 -1.662) 1.664 8.456 ( 0.071 0.000 -11.844) 11.845 8.489 ( -2.391 0.000 14.088) 14.290 8.590 ( 4.140 0.000 -1.156) 4.299 8.890 ( -6.174 0.000 -5.697) 8.401 9.127 ( -0.258 0.000 4.913) 4.920 9.184 ( 1.821 0.000 -0.692) 1.948 9.284 ( 3.347 0.000 3.718) 5.002 9.290 ( 8.175 0.000 -3.618) 8.940 9.460 ( 1.806 0.000 -6.703) 6.942 9.483 ( 9.749 0.000 -0.310) 9.754 10.124 ( -3.112 0.000 2.318) 3.880 10.244 ( 3.343 0.000 10.685) 11.195 10.377 ( 1.240 0.000 3.130) 3.367 10.524 ( 0.886 0.000 2.721) 2.861 11.056 ( 0.063 0.000 0.080) 0.102 11.170 ( -1.202 0.000 -3.316) 3.527 11.263 ( 6.500 0.000 2.714) 7.044 11.528 ( -0.283 0.000 2.201) 2.219 11.853 ( -0.795 0.000 -2.306) 2.439 12.037 ( -5.600 0.000 1.963) 5.934 12.277 ( 6.418 0.000 1.686) 6.636 12.506 ( -1.496 0.000 -0.856) 1.724 12.837 ( 1.053 0.000 1.289) 1.664 13.002 ( -1.609 0.000 -4.630) 4.902 13.369 ( -1.474 0.000 5.226) 5.430 13.467 ( -0.049 0.000 -4.921) 4.921 13.576 ( 0.364 0.000 1.766) 1.803 13.736 ( -4.577 0.000 -0.492) 4.603 13.781 ( 0.725 0.000 2.237) 2.351 13.782 ( -0.021 0.000 0.054) 0.058 14.228 ( 6.932 0.000 -2.048) 7.229 14.288 ( 5.452 0.000 1.002) 5.543 14.717 ( -3.617 0.000 0.490) 3.650 14.901 ( -5.915 0.000 -7.301) 9.396 15.208 ( -3.347 0.000 6.901) 7.670 15.248 ( 3.720 0.000 -7.815) 8.655 15.631 ( 5.155 0.000 8.747) 10.153 15.858 ( 5.800 0.000 9.943) 11.511 16.097 ( 0.718 0.000 -6.219) 6.260 16.278 ( -1.700 0.000 -12.055) 12.175 16.388 ( 5.858 0.000 11.047) 12.504 16.483 ( -3.295 0.000 1.554) 3.644 16.916 ( 8.957 0.000 16.860) 19.091 17.073 ( 4.958 0.000 12.810) 13.736 17.202 ( -6.474 0.000 -2.649) 6.995 17.329 ( 0.729 0.000 -10.370) 10.396 17.708 ( -14.821 0.000 -0.083) 14.821 17.790 ( -4.420 0.000 -24.169) 24.570 18.100 ( -0.098 0.000 -2.671) 2.673 18.209 ( -2.131 0.000 0.484) 2.185 18.428 ( 7.244 0.000 -11.838) 13.878 18.444 ( -1.677 0.000 11.074) 11.201 18.608 ( 0.643 0.000 -4.544) 4.590 18.696 ( -3.424 0.000 2.520) 4.251 18.849 ( 3.053 0.000 -3.661) 4.767 18.920 ( -4.487 0.000 -1.373) 4.693 18.986 ( 0.913 0.000 -7.310) 7.367 19.016 ( -5.543 0.000 -0.040) 5.543 19.210 ( 5.168 0.000 0.824) 5.234 19.287 ( 1.273 0.000 0.194) 1.287 19.337 ( 4.084 0.000 16.433) 16.933 19.454 ( -1.344 0.000 -3.580) 3.824 19.525 ( 4.089 0.000 -3.496) 5.380 19.533 ( -3.275 0.000 -3.745) 4.975 19.743 ( -2.363 0.000 -4.920) 5.458 19.946 ( -10.891 0.000 -3.584) 11.465 20.209 ( 7.962 0.000 4.662) 9.226 20.412 ( 8.020 0.000 6.394) 10.256 20.453 ( -2.367 0.000 4.407) 5.002 20.493 ( 4.591 0.000 -0.580) 4.627 20.552 ( -3.748 0.000 -8.040) 8.871 20.741 ( -0.798 0.000 -1.080) 1.343 21.073 ( 14.447 0.000 -1.179) 14.495 21.476 ( -10.943 0.000 17.743) 20.846 22.378 ( -0.468 0.000 0.936) 1.046 22.402 ( 0.243 0.000 -1.180) 1.204 22.521 ( 2.109 0.000 0.644) 2.205 22.549 ( 1.293 0.000 1.230) 1.785 22.868 ( 0.253 0.000 1.061) 1.091 22.872 ( 0.803 0.000 -0.356) 0.878 23.100 ( -0.787 0.000 0.381) 0.874 23.103 ( 0.379 0.000 -1.348) 1.400 23.999 ( 6.500 0.000 11.701) 13.385 24.018 ( 6.374 0.000 0.116) 6.375 24.347 ( -12.118 0.000 -1.275) 12.185 24.727 ( -15.044 0.000 -18.500) 23.844 25.603 ( 10.771 0.000 0.966) 10.814 25.645 ( 2.737 0.000 5.706) 6.328 25.856 ( 5.824 0.000 -4.969) 7.656 26.057 ( 3.905 0.000 12.240) 12.848 26.416 ( -21.999 0.000 -0.602) 22.008 26.515 ( -2.088 0.000 -16.721) 16.851 26.963 ( 20.997 0.000 -13.281) 24.845 27.264 ( -0.272 0.000 12.808) 12.811 27.399 ( 8.308 0.000 -6.945) 10.829 27.582 ( -7.460 0.000 10.911) 13.218 28.209 ( -1.624 0.000 3.649) 3.994 28.326 ( -2.245 0.000 -5.426) 5.872 28.664 ( 0.088 0.000 15.028) 15.028 28.783 ( 8.962 0.000 -13.178) 15.936 28.837 ( -8.862 0.000 10.295) 13.584 28.893 ( 2.504 0.000 -15.369) 15.571 29.192 ( -1.138 0.000 -3.200) 3.397 29.202 ( -3.906 0.000 -0.555) 3.945 29.441 ( 4.574 0.000 -0.755) 4.636 29.534 ( -1.698 0.000 3.939) 4.290 30.173 ( 1.536 0.000 11.415) 11.518 30.240 ( 8.943 0.000 -4.572) 10.044 31.100 ( -0.478 0.000 7.235) 7.251 31.495 ( -3.644 0.000 -1.855) 4.089 31.513 ( 1.529 0.000 13.624) 13.709 31.734 ( 2.233 0.000 -2.804) 3.585 31.849 ( 2.508 0.000 1.923) 3.161 32.378 ( -5.171 0.000 -16.767) 17.546 32.573 ( 0.069 0.000 -2.470) 2.471 32.668 ( -2.169 0.000 1.109) 2.437 32.830 ( 1.555 0.000 1.393) 2.088 32.979 ( -1.298 0.000 -2.515) 2.830 33.904 ( -6.750 0.000 13.644) 15.223 33.920 ( 5.715 0.000 -12.799) 14.017 34.178 ( -4.701 0.000 13.104) 13.922 34.318 ( 3.699 0.000 -12.216) 12.764 37.573 ( -0.600 0.000 -0.613) 0.858 37.644 ( -3.103 0.000 -2.854) 4.216 38.045 ( 6.966 0.000 -1.967) 7.239 38.124 ( -2.019 0.000 7.300) 7.574 38.909 ( -0.023 0.000 0.480) 0.480 38.931 ( -0.442 0.000 -0.989) 1.083 39.224 ( 2.571 0.000 6.271) 6.777 39.253 ( 0.352 0.000 -3.842) 3.858 39.363 ( -7.193 0.000 0.467) 7.208 39.366 ( 4.493 0.000 1.444) 4.719 39.556 ( -5.310 0.000 -9.315) 10.722 39.629 ( -1.336 0.000 -1.202) 1.798 39.745 ( -4.885 0.000 -4.467) 6.620 39.775 ( 0.128 0.000 -5.608) 5.609 39.993 ( 7.384 0.000 2.663) 7.850 40.142 ( 2.211 0.000 -0.200) 2.220 40.565 ( -0.482 0.000 3.282) 3.317 40.604 ( -9.258 0.000 5.798) 10.924 41.289 ( 15.273 0.000 15.772) 21.955 41.499 ( 13.582 0.000 4.722) 14.380 41.904 ( -2.385 0.000 10.302) 10.574 42.027 ( -2.939 0.000 0.898) 3.073 42.194 ( -5.734 0.000 -10.054) 11.574 42.269 ( 3.000 0.000 -10.137) 10.572 42.863 ( -15.282 0.000 -3.544) 15.688 42.921 ( -15.268 0.000 0.967) 15.299 43.271 ( -5.036 0.000 5.384) 7.372 43.391 ( -2.029 0.000 -12.207) 12.374 44.004 ( -0.868 0.000 17.974) 17.995 44.044 ( 14.934 0.000 -3.205) 15.274 44.434 ( -5.278 0.000 -17.299) 18.087 44.535 ( -9.161 0.000 -2.998) 9.639 ======================= Grid point 137 (68/80) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -3.902 0.000 -28.909) 29.171 0.882 ( 3.902 0.000 28.909) 29.171 1.109 ( 9.069 0.000 -7.390) 11.699 1.109 ( -9.069 0.000 7.390) 11.699 1.816 ( 0.167 0.000 -0.497) 0.524 1.816 ( -0.167 0.000 0.497) 0.524 2.657 ( -3.056 0.000 -1.119) 3.254 2.657 ( 3.056 0.000 1.119) 3.254 2.861 ( 1.842 0.000 -2.154) 2.834 2.861 ( -1.842 0.000 2.154) 2.834 3.074 ( -14.155 0.000 1.477) 14.232 3.074 ( 14.155 0.000 -1.477) 14.232 3.397 ( 0.536 0.000 -9.701) 9.716 3.397 ( -0.536 0.000 9.701) 9.716 3.677 ( 6.301 0.000 -2.585) 6.811 3.677 ( -6.301 0.000 2.585) 6.811 3.865 ( 6.410 0.000 -2.780) 6.987 3.865 ( -6.410 0.000 2.780) 6.987 4.377 ( 2.375 0.000 -11.555) 11.796 4.377 ( -2.375 0.000 11.555) 11.796 4.559 ( -3.314 0.000 -22.490) 22.733 4.559 ( 3.314 0.000 22.490) 22.733 4.867 ( 0.677 0.000 -3.527) 3.591 4.867 ( -0.677 0.000 3.527) 3.591 5.037 ( 11.878 0.000 -4.735) 12.787 5.037 ( -11.878 0.000 4.735) 12.787 5.370 ( -7.014 0.000 0.603) 7.039 5.370 ( 7.014 0.000 -0.603) 7.039 5.575 ( -4.774 0.000 -4.491) 6.555 5.575 ( 4.774 0.000 4.491) 6.555 5.747 ( 0.630 0.000 -1.154) 1.315 5.747 ( -0.630 0.000 1.154) 1.315 5.968 ( -9.341 0.000 -2.381) 9.640 5.968 ( 9.341 0.000 2.381) 9.640 6.321 ( 7.803 0.000 -8.222) 11.335 6.321 ( -7.803 0.000 8.222) 11.335 6.440 ( -15.787 0.000 2.891) 16.050 6.440 ( 15.787 0.000 -2.891) 16.050 6.697 ( 3.140 0.000 -20.005) 20.250 6.697 ( -3.140 0.000 20.005) 20.250 7.048 ( -1.387 0.000 -1.452) 2.008 7.048 ( 1.387 0.000 1.452) 2.008 7.208 ( -3.886 0.000 -0.391) 3.906 7.208 ( 3.886 0.000 0.391) 3.906 7.788 ( -8.666 0.000 -3.396) 9.308 7.788 ( 8.666 0.000 3.396) 9.308 7.897 ( -6.797 0.000 -0.921) 6.859 7.897 ( 6.797 0.000 0.921) 6.859 8.004 ( -1.511 0.000 -17.375) 17.441 8.004 ( 1.511 0.000 17.375) 17.441 8.516 ( 6.741 0.000 -7.121) 9.805 8.516 ( -6.741 0.000 7.121) 9.805 8.700 ( -8.337 0.000 -4.249) 9.357 8.700 ( 8.337 0.000 4.249) 9.357 9.161 ( 0.215 0.000 -4.262) 4.267 9.161 ( -0.215 0.000 4.262) 4.267 9.384 ( -1.596 0.000 -6.094) 6.299 9.384 ( 1.596 0.000 6.094) 6.299 9.504 ( -6.371 0.000 -4.021) 7.534 9.504 ( 6.371 0.000 4.021) 7.534 10.172 ( -6.980 0.000 -2.703) 7.485 10.172 ( 6.980 0.000 2.703) 7.485 10.495 ( -2.799 0.000 -5.292) 5.986 10.495 ( 2.799 0.000 5.292) 5.986 11.102 ( -2.450 0.000 -3.332) 4.136 11.102 ( 2.450 0.000 3.332) 4.136 11.438 ( -8.621 0.000 -2.494) 8.975 11.438 ( 8.621 0.000 2.494) 8.975 11.920 ( -7.253 0.000 -1.024) 7.325 11.920 ( 7.253 0.000 1.024) 7.325 12.408 ( -6.139 0.000 -2.979) 6.823 12.408 ( 6.139 0.000 2.979) 6.823 12.917 ( -3.130 0.000 -5.165) 6.039 12.917 ( 3.130 0.000 5.165) 6.039 13.410 ( -1.032 0.000 -4.885) 4.993 13.410 ( 1.032 0.000 4.885) 4.993 13.638 ( -3.940 0.000 -2.967) 4.932 13.638 ( 3.940 0.000 2.967) 4.932 13.792 ( -0.391 0.000 -0.253) 0.466 13.792 ( 0.391 0.000 0.253) 0.466 14.312 ( -3.270 0.000 0.651) 3.334 14.312 ( 3.270 0.000 -0.651) 3.334 14.751 ( -4.435 0.000 -4.419) 6.261 14.751 ( 4.435 0.000 4.419) 6.261 15.231 ( 3.072 0.000 -9.207) 9.706 15.231 ( -3.072 0.000 9.207) 9.706 15.829 ( -5.936 0.000 -11.911) 13.308 15.829 ( 5.936 0.000 11.911) 13.308 16.132 ( -2.937 0.000 -10.219) 10.632 16.132 ( 2.937 0.000 10.219) 10.632 16.502 ( 2.880 0.000 -5.667) 6.357 16.502 ( -2.880 0.000 5.667) 6.357 17.151 ( 1.251 0.000 -6.548) 6.667 17.151 ( -1.251 0.000 6.548) 6.667 17.226 ( -7.162 0.000 -9.653) 12.019 17.226 ( 7.162 0.000 9.653) 12.019 17.541 ( 6.938 0.000 -16.713) 18.096 17.541 ( -6.938 0.000 16.713) 18.096 18.155 ( -2.918 0.000 -3.397) 4.478 18.155 ( 2.918 0.000 3.397) 4.478 18.478 ( 9.053 0.000 -13.941) 16.622 18.478 ( -9.053 0.000 13.941) 16.622 18.601 ( -3.141 0.000 -0.880) 3.262 18.601 ( 3.141 0.000 0.880) 3.262 18.874 ( 2.970 0.000 -3.817) 4.837 18.874 ( -2.970 0.000 3.817) 4.837 18.965 ( 1.563 0.000 -1.310) 2.039 18.965 ( -1.563 0.000 1.310) 2.039 19.292 ( -1.717 0.000 -1.040) 2.008 19.292 ( 1.717 0.000 1.040) 2.008 19.436 ( -3.304 0.000 0.684) 3.374 19.436 ( 3.304 0.000 -0.684) 3.374 19.515 ( 0.139 0.000 -10.683) 10.684 19.515 ( -0.139 0.000 10.683) 10.684 19.758 ( -8.640 0.000 2.727) 9.060 19.758 ( 8.640 0.000 -2.727) 9.060 20.381 ( -5.846 0.000 -5.938) 8.332 20.381 ( 5.846 0.000 5.938) 8.332 20.468 ( 0.398 0.000 -4.970) 4.986 20.468 ( -0.398 0.000 4.970) 4.986 20.659 ( -6.964 0.000 -3.581) 7.830 20.659 ( 6.964 0.000 3.581) 7.830 21.324 ( 17.378 0.000 -6.518) 18.560 21.324 ( -17.378 0.000 6.518) 18.560 22.388 ( -0.213 0.000 -1.528) 1.543 22.388 ( 0.213 0.000 1.528) 1.543 22.555 ( -0.834 0.000 -0.560) 1.005 22.555 ( 0.834 0.000 0.560) 1.005 22.877 ( 0.264 0.000 -0.768) 0.812 22.877 ( -0.264 0.000 0.768) 0.812 23.098 ( 0.280 0.000 -1.091) 1.127 23.098 ( -0.280 0.000 1.091) 1.127 24.142 ( -6.609 0.000 -0.802) 6.658 24.142 ( 6.609 0.000 0.802) 6.658 24.325 ( -11.274 0.000 -17.655) 20.948 24.325 ( 11.274 0.000 17.655) 20.948 25.740 ( -2.719 0.000 -0.809) 2.837 25.740 ( 2.719 0.000 0.809) 2.837 25.961 ( -15.776 0.000 -3.456) 16.150 25.961 ( 15.776 0.000 3.456) 16.150 26.320 ( 1.663 0.000 -23.896) 23.954 26.320 ( -1.663 0.000 23.896) 23.954 27.225 ( 16.735 0.000 -10.877) 19.959 27.225 ( -16.735 0.000 10.877) 19.959 27.501 ( 10.533 0.000 -7.674) 13.032 27.501 ( -10.533 0.000 7.674) 13.032 28.243 ( -1.261 0.000 -5.258) 5.408 28.243 ( 1.261 0.000 5.258) 5.408 28.772 ( 4.145 0.000 -15.314) 15.865 28.772 ( -4.145 0.000 15.314) 15.865 28.822 ( 3.757 0.000 -11.826) 12.408 28.822 ( -3.757 0.000 11.826) 12.408 29.163 ( 0.429 0.000 -0.931) 1.025 29.163 ( -0.429 0.000 0.931) 1.025 29.508 ( 4.067 0.000 -1.804) 4.449 29.508 ( -4.067 0.000 1.804) 4.449 30.271 ( 1.807 0.000 -9.457) 9.628 30.271 ( -1.807 0.000 9.457) 9.628 31.262 ( -8.537 0.000 -12.578) 15.201 31.262 ( 8.537 0.000 12.578) 15.201 31.664 ( -3.110 0.000 -9.755) 10.239 31.664 ( 3.110 0.000 9.755) 10.239 32.096 ( -9.139 0.000 -18.141) 20.313 32.096 ( 9.139 0.000 18.141) 20.313 32.613 ( -3.811 0.000 -0.798) 3.893 32.613 ( 3.811 0.000 0.798) 3.893 32.900 ( -4.435 0.000 -2.148) 4.927 32.900 ( 4.435 0.000 2.148) 4.927 33.908 ( 5.958 0.000 -12.593) 13.931 33.908 ( -5.958 0.000 12.593) 13.931 34.246 ( 2.617 0.000 -15.210) 15.434 34.246 ( -2.617 0.000 15.210) 15.434 37.584 ( -1.602 0.000 -1.272) 2.046 37.584 ( 1.602 0.000 1.272) 2.046 38.119 ( 4.880 0.000 -4.885) 6.905 38.119 ( -4.880 0.000 4.885) 6.905 38.917 ( -0.406 0.000 -0.517) 0.657 38.917 ( 0.406 0.000 0.517) 0.657 39.268 ( 4.416 0.000 -2.374) 5.013 39.268 ( -4.416 0.000 2.374) 5.013 39.346 ( -3.536 0.000 -7.678) 8.453 39.346 ( 3.536 0.000 7.678) 8.453 39.527 ( -4.909 0.000 -3.647) 6.116 39.527 ( 4.909 0.000 3.647) 6.116 39.726 ( -0.458 0.000 -3.934) 3.960 39.726 ( 0.458 0.000 3.934) 3.960 40.133 ( -4.998 0.000 -0.175) 5.001 40.133 ( 4.998 0.000 0.175) 5.001 40.544 ( 2.371 0.000 -5.081) 5.607 40.544 ( -2.371 0.000 5.081) 5.607 41.610 ( -8.273 0.000 -4.060) 9.215 41.610 ( 8.273 0.000 4.060) 9.215 41.911 ( 7.734 0.000 -3.825) 8.628 41.911 ( -7.734 0.000 3.824) 8.628 42.201 ( -3.517 0.000 -9.149) 9.802 42.201 ( 3.517 0.000 9.149) 9.802 42.732 ( -2.773 0.000 -3.277) 4.293 42.732 ( 2.773 0.000 3.277) 4.293 43.283 ( 0.163 0.000 -7.714) 7.715 43.283 ( -0.163 0.000 7.714) 7.715 44.159 ( 0.447 0.000 -16.519) 16.525 44.159 ( -0.447 0.000 16.519) 16.525 44.333 ( -11.212 0.000 1.734) 11.345 44.333 ( 11.212 0.000 -1.734) 11.345 ======================= Grid point 141 (69/80) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -13.362 -1.180 -7.137) 15.195 1.642 ( 13.362 -1.180 7.137) 15.195 1.993 ( -5.792 -3.823 -5.092) 8.608 1.993 ( 5.792 -3.823 5.092) 8.608 2.515 ( -1.986 2.499 -9.354) 9.884 2.515 ( 1.986 2.499 9.354) 9.884 2.812 ( -5.615 -2.026 -2.469) 6.460 2.812 ( 5.615 -2.026 2.469) 6.460 2.939 ( -4.133 -3.834 -10.525) 11.939 2.939 ( 4.133 -3.834 10.525) 11.939 3.255 ( -5.966 8.544 -5.232) 11.660 3.255 ( 5.966 8.544 5.232) 11.660 3.523 ( -1.619 1.229 -8.573) 8.810 3.523 ( 1.619 1.229 8.573) 8.810 3.754 ( 1.592 3.644 -5.347) 6.663 3.754 ( -1.592 3.644 5.347) 6.663 3.954 ( -12.282 -8.165 -11.272) 18.563 3.954 ( 12.282 -8.165 11.272) 18.563 4.255 ( -8.943 6.951 -9.361) 14.694 4.255 ( 8.943 6.951 9.361) 14.694 4.459 ( -7.660 8.078 -2.530) 11.416 4.459 ( 7.660 8.078 2.530) 11.416 4.763 ( -9.294 6.465 -9.193) 14.584 4.763 ( 9.294 6.465 9.193) 14.584 4.877 ( -2.535 0.831 -0.536) 2.721 4.877 ( 2.535 0.831 0.536) 2.721 5.289 ( -0.396 0.517 -12.433) 12.450 5.289 ( 0.396 0.517 12.433) 12.450 5.388 ( 5.812 7.934 -8.419) 12.946 5.388 ( -5.812 7.934 8.419) 12.946 5.532 ( 5.196 -2.325 -3.734) 6.808 5.532 ( -5.196 -2.325 3.734) 6.808 5.824 ( -1.009 -3.735 -0.759) 3.942 5.824 ( 1.009 -3.735 0.759) 3.942 6.363 ( 8.557 3.045 -25.559) 27.125 6.363 ( -8.557 3.045 25.559) 27.125 6.503 ( 1.121 4.312 -7.064) 8.352 6.503 ( -1.121 4.312 7.064) 8.352 6.789 ( -0.278 4.811 -9.478) 10.633 6.789 ( 0.278 4.811 9.478) 10.633 7.133 ( -2.984 -12.071 -8.540) 15.085 7.133 ( 2.984 -12.071 8.540) 15.085 7.469 ( -3.996 -1.318 -18.237) 18.716 7.469 ( 3.996 -1.318 18.237) 18.716 7.768 ( -1.799 -1.540 0.003) 2.368 7.768 ( 1.799 -1.540 -0.003) 2.368 7.889 ( -3.630 0.935 -4.118) 5.569 7.889 ( 3.630 0.935 4.118) 5.569 8.117 ( -1.887 1.113 -10.085) 10.321 8.117 ( 1.887 1.113 10.085) 10.321 8.550 ( -0.252 -1.888 -4.028) 4.456 8.550 ( 0.252 -1.888 4.028) 4.456 8.885 ( -9.659 -4.794 -1.147) 10.844 8.885 ( 9.659 -4.794 1.147) 10.844 9.052 ( 0.849 -1.902 -5.862) 6.221 9.052 ( -0.849 -1.902 5.862) 6.221 9.287 ( -6.234 -2.128 -2.253) 6.962 9.287 ( 6.234 -2.128 2.253) 6.962 9.520 ( -9.360 2.331 -8.036) 12.555 9.520 ( 9.360 2.331 8.036) 12.555 10.013 ( -3.762 7.627 -12.009) 14.715 10.013 ( 3.762 7.627 12.009) 14.715 10.297 ( -2.762 1.771 -7.013) 7.743 10.297 ( 2.762 1.771 7.013) 7.743 11.149 ( -1.534 -1.804 -1.031) 2.583 11.149 ( 1.534 -1.804 1.031) 2.583 11.339 ( -3.056 -0.528 -3.100) 4.385 11.339 ( 3.056 -0.528 3.100) 4.385 12.016 ( 0.395 -2.773 -4.009) 4.890 12.016 ( -0.395 -2.773 4.009) 4.890 12.182 ( -6.132 -6.111 -3.744) 9.433 12.182 ( 6.132 -6.111 3.744) 9.433 13.011 ( -3.208 -0.693 -1.626) 3.663 13.011 ( 3.208 -0.693 1.626) 3.663 13.330 ( 3.898 -7.857 -3.731) 9.531 13.330 ( -3.898 -7.857 3.731) 9.531 13.698 ( -2.380 0.798 -3.042) 3.944 13.698 ( 2.380 0.798 3.042) 3.944 13.783 ( -4.073 1.183 -2.352) 4.850 13.783 ( 4.073 1.183 2.352) 4.850 14.203 ( 4.142 12.010 -3.464) 13.168 14.203 ( -4.142 12.010 3.464) 13.168 14.996 ( -2.443 -4.133 -4.825) 6.807 14.996 ( 2.443 -4.133 4.825) 6.807 15.235 ( -5.308 -6.285 -5.175) 9.719 15.235 ( 5.308 -6.285 5.175) 9.719 15.517 ( -4.823 8.530 -10.693) 14.504 15.517 ( 4.823 8.530 10.693) 14.504 16.161 ( -3.769 13.251 -10.024) 17.038 16.161 ( 3.769 13.251 10.024) 17.038 16.392 ( -2.547 -10.309 -10.586) 14.994 16.392 ( 2.547 -10.309 10.586) 14.994 16.927 ( -0.394 11.348 -15.373) 19.112 16.927 ( 0.394 11.348 15.373) 19.112 17.350 ( -1.281 -1.972 -5.155) 5.666 17.350 ( 1.281 -1.972 5.155) 5.666 17.966 ( -6.014 -9.240 -11.436) 15.884 17.966 ( 6.014 -9.240 11.436) 15.884 18.240 ( -6.283 -0.290 1.704) 6.517 18.240 ( 6.283 -0.290 -1.704) 6.517 18.490 ( 1.072 9.161 -11.486) 14.731 18.490 ( -1.072 9.161 11.486) 14.731 18.624 ( -0.178 -0.615 -0.836) 1.053 18.624 ( 0.178 -0.615 0.836) 1.053 18.702 ( 3.896 -19.578 -9.223) 21.989 18.702 ( -3.896 -19.578 9.223) 21.989 19.004 ( -1.859 -3.344 -1.814) 4.235 19.004 ( 1.859 -3.344 1.814) 4.235 19.244 ( 0.888 2.905 -4.762) 5.648 19.244 ( -0.888 2.905 4.762) 5.648 19.385 ( -7.045 2.028 -0.833) 7.378 19.385 ( 7.045 2.028 0.833) 7.378 19.566 ( -2.360 0.269 -2.795) 3.668 19.566 ( 2.360 0.269 2.795) 3.668 19.933 ( 0.221 -4.695 -9.491) 10.591 19.933 ( -0.221 -4.695 9.491) 10.591 20.159 ( -12.707 -1.633 -1.695) 12.923 20.159 ( 12.707 -1.633 1.695) 12.923 20.385 ( -3.346 -0.594 -3.535) 4.904 20.385 ( 3.346 -0.594 3.535) 4.904 20.635 ( -1.069 -10.157 -6.125) 11.909 20.635 ( 1.069 -10.157 6.125) 11.909 21.088 ( -6.946 2.618 -17.451) 18.964 21.088 ( 6.946 2.618 17.451) 18.964 22.394 ( 0.234 -0.476 -0.287) 0.603 22.394 ( -0.234 -0.476 0.287) 0.603 22.466 ( -1.852 -0.565 -0.771) 2.084 22.466 ( 1.852 -0.565 0.771) 2.084 22.875 ( 0.138 2.277 -0.540) 2.344 22.875 ( -0.138 2.277 0.540) 2.344 23.099 ( 0.422 -1.782 -1.085) 2.129 23.099 ( -0.422 -1.782 1.085) 2.129 24.001 ( 1.221 12.544 -4.270) 13.307 24.001 ( -1.221 12.544 4.270) 13.307 24.998 ( -12.495 -7.392 -10.332) 17.819 24.998 ( 12.495 -7.392 10.332) 17.819 25.567 ( 0.743 12.781 -10.776) 16.734 25.567 ( -0.743 12.781 10.776) 16.734 25.765 ( -8.393 10.998 -14.332) 19.921 25.765 ( 8.393 10.998 14.332) 19.921 26.697 ( -6.251 -3.237 -7.898) 10.580 26.697 ( 6.251 -3.237 7.898) 10.580 27.138 ( 0.025 9.315 -2.974) 9.778 27.138 ( -0.025 9.315 2.974) 9.778 27.372 ( 2.017 -3.848 -21.223) 21.663 27.372 ( -2.017 -3.848 21.223) 21.663 28.379 ( -1.933 1.961 -1.501) 3.136 28.379 ( 1.933 1.961 1.501) 3.136 28.511 ( 9.889 -3.727 -6.636) 12.479 28.511 ( -9.889 -3.727 6.636) 12.479 28.970 ( 9.764 -5.029 -10.503) 15.197 28.970 ( -9.764 -5.029 10.503) 15.197 29.201 ( 0.410 -8.155 -2.200) 8.456 29.201 ( -0.410 -8.155 2.200) 8.456 29.318 ( -1.047 -5.272 -5.106) 7.414 29.318 ( 1.047 -5.272 5.106) 7.414 30.241 ( 5.087 18.811 -2.684) 19.670 30.241 ( -5.087 18.811 2.684) 19.670 31.190 ( -2.792 -4.462 -6.405) 8.291 31.190 ( 2.792 -4.462 6.405) 8.291 31.477 ( -0.002 3.907 -3.230) 5.069 31.477 ( 0.002 3.907 3.230) 5.069 32.356 ( -8.153 -1.284 -9.267) 12.409 32.356 ( 8.153 -1.284 9.267) 12.409 32.680 ( -0.241 -2.499 -1.851) 3.119 32.680 ( 0.241 -2.499 1.851) 3.119 32.864 ( -4.579 -2.253 0.247) 5.109 32.864 ( 4.579 -2.253 -0.247) 5.109 33.927 ( 7.829 0.494 -13.268) 15.414 33.927 ( -7.829 0.494 13.268) 15.414 34.201 ( 7.031 -5.416 -8.906) 12.573 34.201 ( -7.031 -5.416 8.906) 12.573 37.681 ( -2.596 -0.060 -2.683) 3.734 37.681 ( 2.596 -0.060 2.683) 3.734 37.977 ( -0.613 -0.255 -7.284) 7.315 37.977 ( 0.613 -0.255 7.284) 7.315 38.995 ( -0.543 6.288 -0.361) 6.322 38.995 ( 0.543 6.288 0.361) 6.322 39.216 ( -3.477 5.126 -0.918) 6.261 39.216 ( 3.477 5.126 0.918) 6.261 39.468 ( -3.678 -1.343 -3.919) 5.540 39.468 ( 3.678 -1.343 3.919) 5.540 39.608 ( -2.887 -1.706 -1.150) 3.545 39.608 ( 2.887 -1.706 1.150) 3.545 39.867 ( -1.350 -1.833 -1.943) 2.993 39.867 ( 1.350 -1.833 1.943) 2.993 40.168 ( -8.391 -4.307 -10.717) 14.277 40.168 ( 8.391 -4.307 10.717) 14.277 40.400 ( -9.753 -0.103 -13.476) 16.635 40.400 ( 9.753 -0.103 13.476) 16.635 40.954 ( -10.118 -1.296 -2.553) 10.516 40.954 ( 10.118 -1.296 2.553) 10.516 41.795 ( 1.158 -7.796 -6.711) 10.351 41.795 ( -1.158 -7.796 6.711) 10.351 42.433 ( -2.949 -1.270 -3.962) 5.100 42.433 ( 2.949 -1.270 3.962) 5.100 43.164 ( 4.327 -4.804 -11.431) 13.133 43.164 ( -4.327 -4.804 11.431) 13.133 43.511 ( 9.283 -0.361 -6.432) 11.299 43.511 ( -9.283 -0.361 6.432) 11.299 43.920 ( 5.672 8.328 -14.002) 17.251 43.920 ( -5.672 8.328 14.002) 17.251 44.750 ( -0.238 1.949 -3.144) 3.707 44.750 ( 0.238 1.949 3.144) 3.707 ======================= Grid point 143 (70/80) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -15.189 -1.225 -6.900) 16.728 1.589 ( -29.993 -0.112 8.204) 31.095 1.854 ( 4.358 -3.765 2.862) 6.431 2.149 ( -3.145 -1.177 -1.626) 3.731 2.197 ( -11.659 2.691 -35.942) 37.882 2.576 ( 3.585 7.456 -10.402) 13.291 2.645 ( -4.716 -0.142 -2.244) 5.225 2.799 ( -3.760 -0.297 -1.755) 4.160 2.855 ( -0.818 1.617 -5.411) 5.706 2.992 ( -1.545 4.056 -6.419) 7.748 3.092 ( -5.125 11.982 -6.905) 14.748 3.282 ( -1.675 1.577 -5.569) 6.025 3.450 ( -2.771 4.846 -2.361) 6.061 3.614 ( -4.869 -3.726 3.988) 7.314 3.637 ( -1.104 2.591 -4.448) 5.265 3.740 ( -0.946 0.098 7.067) 7.131 3.858 ( 5.831 7.070 -3.838) 9.936 3.955 ( -6.441 2.307 -6.633) 9.529 4.158 ( -0.651 -1.002 -2.925) 3.160 4.403 ( -4.324 1.154 9.619) 10.609 4.527 ( 3.491 4.589 4.050) 7.047 4.594 ( 6.135 -0.990 9.762) 11.572 4.690 ( 9.908 4.137 1.563) 10.850 4.754 ( -2.612 0.979 -3.762) 4.683 4.939 ( 3.734 -1.433 1.025) 4.128 5.080 ( 7.206 -1.788 4.644) 8.758 5.268 ( -0.344 4.230 4.308) 6.047 5.305 ( -4.021 4.299 3.194) 6.697 5.432 ( 2.011 2.818 4.586) 5.746 5.470 ( 5.226 8.531 9.598) 13.864 5.539 ( 3.610 -4.295 6.299) 8.435 5.650 ( 1.601 1.283 1.318) 2.438 5.785 ( 6.625 -3.719 0.112) 7.598 5.858 ( 1.604 1.777 -1.677) 2.923 6.238 ( 0.706 0.531 -20.638) 20.657 6.410 ( -9.053 2.560 17.839) 20.168 6.461 ( -2.998 2.442 3.915) 5.503 6.532 ( 0.832 7.188 1.719) 7.437 6.668 ( -2.358 2.143 -13.367) 13.741 6.862 ( -1.215 6.452 7.186) 9.733 6.970 ( -3.963 -12.403 -6.125) 14.389 7.173 ( -1.509 -5.855 -1.540) 6.239 7.318 ( -3.314 -3.288 -1.093) 4.795 7.532 ( -10.455 1.962 2.043) 10.832 7.716 ( -4.027 -3.986 0.784) 5.720 7.785 ( -0.485 -1.553 -0.225) 1.642 7.897 ( 0.230 -4.501 8.954) 10.024 8.002 ( 10.405 -1.919 -7.644) 13.053 8.085 ( 4.373 4.561 5.741) 8.538 8.265 ( 2.027 6.692 3.894) 8.003 8.480 ( -3.846 -2.353 -3.781) 5.884 8.580 ( 1.615 -0.133 0.898) 1.853 8.698 ( -9.121 -3.316 -2.580) 10.042 8.968 ( -4.964 -3.317 -4.892) 7.719 9.004 ( 3.103 -7.811 -0.521) 8.421 9.095 ( 2.408 3.772 1.805) 4.825 9.190 ( -0.757 -10.683 -1.022) 10.759 9.303 ( -1.646 4.160 -3.262) 5.537 9.450 ( 5.092 3.934 -0.780) 6.482 9.551 ( -4.506 4.842 -12.784) 14.394 9.993 ( 8.174 4.547 7.007) 11.688 10.117 ( -0.370 -1.184 4.173) 4.354 10.287 ( 2.707 -4.325 1.099) 5.219 10.463 ( 4.215 4.449 8.467) 10.452 11.072 ( -3.424 -2.481 -2.295) 4.811 11.167 ( 1.495 0.809 -0.249) 1.718 11.279 ( -1.884 0.680 -1.435) 2.464 11.442 ( 4.019 -0.985 3.546) 5.450 11.924 ( -5.287 -3.351 -4.530) 7.727 12.046 ( -0.565 -1.871 3.300) 3.835 12.131 ( 1.994 -5.080 -0.301) 5.466 12.337 ( 5.758 -8.731 5.113) 11.642 12.911 ( -4.397 0.917 -3.584) 5.746 13.037 ( 0.465 -0.564 -2.078) 2.202 13.283 ( -3.804 -6.768 3.487) 8.511 13.370 ( 2.936 -9.332 -4.534) 10.783 13.616 ( -3.367 0.370 -2.912) 4.467 13.722 ( -1.911 -0.847 1.387) 2.509 13.787 ( 3.625 2.726 3.188) 5.544 13.851 ( 0.111 3.001 3.567) 4.663 14.218 ( 2.425 8.973 3.317) 9.869 14.278 ( 7.108 11.967 -3.672) 14.395 14.847 ( -7.208 -0.616 -2.473) 7.646 15.034 ( -0.015 -2.481 0.736) 2.588 15.168 ( 0.021 -5.806 -2.849) 6.467 15.312 ( -3.604 3.713 -6.292) 8.146 15.456 ( 5.376 -1.816 6.737) 8.808 15.714 ( 6.435 7.159 10.669) 14.370 16.075 ( 0.701 5.373 -2.409) 5.929 16.255 ( -1.763 -6.279 -9.243) 11.312 16.360 ( 5.999 11.220 9.971) 16.165 16.564 ( 6.431 -6.211 12.764) 15.583 16.756 ( -3.999 7.964 -15.552) 17.925 17.059 ( 0.501 12.647 15.118) 19.716 17.247 ( -4.278 -7.160 -7.613) 11.293 17.415 ( 2.006 2.196 4.280) 5.212 17.756 ( -6.147 -8.127 -11.384) 15.279 18.123 ( 1.951 -5.518 6.621) 8.837 18.129 ( -5.648 2.086 -2.050) 6.360 18.234 ( -3.665 2.196 -8.592) 9.595 18.381 ( 1.330 3.769 -9.130) 9.967 18.564 ( 2.246 3.121 1.496) 4.126 18.622 ( 0.560 2.358 -0.649) 2.509 18.646 ( 0.075 -2.374 3.370) 4.123 18.743 ( 4.912 -10.026 -4.291) 11.960 18.830 ( 4.284 -16.014 12.976) 21.052 18.963 ( 0.779 -3.278 -1.300) 3.611 19.041 ( 0.218 -2.662 -1.094) 2.886 19.197 ( -2.536 3.228 -2.961) 5.061 19.237 ( -5.390 1.479 2.427) 6.094 19.259 ( -1.624 -0.913 0.469) 1.921 19.479 ( -0.230 0.522 -0.652) 0.867 19.505 ( 2.685 1.019 -2.140) 3.581 19.650 ( 4.861 4.899 -3.344) 7.669 19.870 ( -3.351 -4.826 -4.249) 7.251 19.927 ( -7.048 -6.498 0.557) 9.603 20.085 ( 6.588 -4.333 7.627) 10.971 20.236 ( -5.396 0.807 -4.382) 6.998 20.378 ( 7.585 -1.405 -0.386) 7.724 20.418 ( -0.464 -3.120 0.400) 3.179 20.592 ( -2.176 -7.964 -1.446) 8.382 20.751 ( 6.492 -10.952 4.980) 13.671 20.861 ( -2.544 5.351 -11.030) 12.520 21.331 ( 1.645 -3.932 16.632) 17.170 22.381 ( -1.127 -0.685 -0.019) 1.319 22.402 ( 0.745 0.032 -0.691) 1.017 22.439 ( -0.297 -2.591 0.084) 2.610 22.502 ( 1.349 -1.173 0.129) 1.792 22.874 ( 0.201 2.065 0.202) 2.085 22.885 ( 0.589 2.267 0.144) 2.347 23.092 ( -0.186 -1.738 -0.679) 1.875 23.097 ( -0.221 -1.580 -0.153) 1.603 24.010 ( 2.803 12.308 0.696) 12.643 24.065 ( 3.201 12.726 4.681) 13.932 24.684 ( -13.009 2.992 -7.545) 15.333 25.125 ( -4.782 -0.834 -5.420) 7.276 25.476 ( -6.105 3.912 -5.003) 8.809 25.550 ( 4.572 -0.888 3.563) 5.864 25.728 ( 4.763 9.920 3.639) 11.590 26.042 ( 7.871 12.650 7.635) 16.741 26.573 ( 0.840 -0.982 -3.007) 3.273 26.812 ( 0.265 2.767 -7.004) 7.535 27.046 ( -2.858 11.466 -9.131) 14.934 27.134 ( 2.865 5.379 2.730) 6.678 27.309 ( 5.834 -4.036 -8.841) 11.336 27.519 ( -2.218 -2.869 15.582) 15.998 28.303 ( -4.364 6.371 1.250) 7.823 28.399 ( 0.120 0.342 -0.705) 0.792 28.497 ( -0.879 -7.374 9.520) 12.074 28.672 ( 12.565 -0.772 -5.949) 13.924 28.862 ( -9.613 -6.625 5.477) 12.896 28.977 ( 4.759 -2.104 -16.866) 17.651 29.174 ( -1.839 -6.445 -1.145) 6.800 29.198 ( -1.268 -7.652 -0.192) 7.759 29.280 ( 0.285 -7.786 -0.043) 7.792 29.368 ( -0.130 -7.841 3.917) 8.766 30.223 ( -1.220 14.322 6.235) 15.668 30.345 ( 7.744 20.590 -0.959) 22.019 31.090 ( -4.067 -4.233 -1.370) 6.028 31.306 ( 2.228 -4.716 9.491) 10.830 31.452 ( 1.614 2.287 4.764) 5.525 31.623 ( 7.800 1.736 1.801) 8.192 32.078 ( -11.605 1.292 -12.802) 17.328 32.448 ( -0.461 -5.797 -5.459) 7.976 32.619 ( -2.353 -2.785 -4.415) 5.726 32.700 ( -0.634 1.815 5.554) 5.877 32.811 ( -1.988 -1.413 2.110) 3.225 32.953 ( 3.907 -2.055 -0.397) 4.432 33.911 ( -7.385 0.614 13.570) 15.461 33.938 ( 6.163 0.590 -12.112) 13.603 34.155 ( -5.731 -3.433 8.352) 10.695 34.255 ( 6.683 -5.734 -8.021) 11.911 37.619 ( -1.877 0.856 -2.121) 2.959 37.718 ( -0.879 0.463 0.033) 0.994 37.943 ( 3.538 -0.892 -3.899) 5.340 38.051 ( 0.015 -1.696 7.322) 7.516 38.976 ( -0.737 6.501 0.167) 6.545 39.006 ( 0.396 6.256 -1.195) 6.381 39.191 ( -0.416 3.956 3.351) 5.201 39.313 ( 4.693 6.814 3.035) 8.812 39.366 ( -2.470 0.655 -5.154) 5.753 39.477 ( -4.643 -1.454 -0.994) 4.965 39.584 ( 2.223 -0.352 0.802) 2.389 39.678 ( 3.341 -1.966 -2.961) 4.878 39.824 ( -1.021 -2.009 -2.590) 3.433 39.851 ( -4.180 -2.137 -3.801) 6.040 39.966 ( -4.363 -0.008 -4.667) 6.389 40.179 ( -4.234 2.542 -6.265) 7.977 40.393 ( 6.591 -4.843 8.190) 11.575 40.676 ( 2.302 -3.996 10.723) 11.673 40.832 ( 1.418 -3.995 6.122) 7.447 41.172 ( 9.734 -6.188 7.218) 13.607 41.729 ( -2.123 -9.174 2.371) 9.710 41.917 ( 5.924 -3.011 2.937) 7.265 42.328 ( -4.492 -5.781 -5.085) 8.914 42.486 ( 1.017 5.686 0.081) 5.777 42.953 ( -15.748 -7.848 -3.918) 18.026 43.142 ( -6.386 -2.452 -1.396) 6.982 43.409 ( -8.882 2.896 5.146) 10.666 43.597 ( 5.461 2.310 -9.849) 11.496 43.877 ( 1.165 5.870 -0.806) 6.039 43.974 ( 1.022 5.402 6.853) 8.786 44.653 ( -4.401 1.031 -8.959) 10.034 44.712 ( -5.129 2.497 -2.893) 6.397 ======================= Grid point 144 (71/80) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -10.751 -0.376 -2.685) 11.088 1.201 ( -20.994 7.133 4.489) 22.622 1.582 ( -13.277 14.815 -23.964) 31.145 1.879 ( -2.785 2.869 -3.231) 5.141 2.031 ( -9.699 9.786 -7.474) 15.675 2.265 ( -15.837 32.742 -32.664) 48.885 2.594 ( -0.922 -2.000 2.120) 3.056 2.728 ( -2.321 2.594 -5.274) 6.319 2.809 ( 1.534 0.874 1.864) 2.567 2.885 ( -0.685 7.212 -3.918) 8.236 2.970 ( -0.717 1.952 -4.096) 4.594 3.311 ( -9.533 -2.107 2.035) 9.973 3.345 ( 1.660 0.221 -0.247) 1.693 3.543 ( 0.533 -1.597 -3.497) 3.881 3.616 ( -0.697 7.530 2.102) 7.848 3.790 ( -2.668 0.852 0.086) 2.802 3.921 ( 5.303 8.469 -5.541) 11.426 3.930 ( 4.374 1.692 2.690) 5.406 4.175 ( 0.984 -3.010 8.092) 8.689 4.363 ( -6.437 -2.108 5.438) 8.686 4.504 ( -2.297 3.210 2.832) 4.858 4.729 ( 4.665 -1.222 -11.710) 12.664 4.737 ( 3.548 1.987 4.967) 6.419 4.851 ( 6.676 2.353 -4.115) 8.188 5.030 ( -1.504 -3.064 -5.854) 6.776 5.177 ( 4.015 -6.319 -1.786) 7.697 5.202 ( -3.926 -6.014 3.924) 8.184 5.323 ( -0.693 -1.923 13.439) 13.593 5.496 ( -1.081 0.796 6.696) 6.829 5.571 ( -0.660 0.975 2.055) 2.368 5.645 ( 2.157 -2.148 3.581) 4.700 5.772 ( 4.141 3.349 6.509) 8.410 5.894 ( 6.014 11.183 9.988) 16.156 6.066 ( 15.377 -0.831 2.758) 15.645 6.089 ( 3.775 3.255 -14.201) 15.050 6.366 ( -7.145 3.361 -13.110) 15.304 6.396 ( -4.292 2.641 10.001) 11.199 6.535 ( -7.565 -1.634 22.607) 23.895 6.633 ( 7.397 1.696 -11.573) 13.839 6.824 ( -6.977 3.224 1.856) 7.906 6.956 ( 3.023 -6.127 0.821) 6.882 7.142 ( 0.491 -3.471 -1.817) 3.948 7.230 ( -7.166 1.285 -0.080) 7.281 7.341 ( -10.567 2.592 0.403) 10.888 7.635 ( -1.962 -7.006 -6.642) 9.851 7.809 ( 2.890 -3.280 -1.471) 4.613 7.879 ( -6.291 -0.356 2.662) 6.840 8.018 ( -3.587 6.962 5.143) 9.369 8.213 ( 3.099 5.431 0.683) 6.290 8.273 ( 1.390 6.814 -11.271) 13.244 8.458 ( -1.844 -1.852 9.098) 9.466 8.495 ( -5.381 1.785 -6.429) 8.572 8.634 ( 3.048 3.641 -1.315) 4.927 8.841 ( -5.414 -6.209 -3.343) 8.891 9.012 ( -1.628 -10.471 0.374) 10.604 9.081 ( -1.237 -9.810 0.907) 9.929 9.290 ( 2.992 3.402 -2.984) 5.425 9.332 ( 7.767 -2.689 1.788) 8.411 9.433 ( 4.292 5.654 -2.703) 7.596 9.539 ( 6.123 2.969 -2.391) 7.213 10.094 ( -2.834 -3.088 1.355) 4.405 10.201 ( 3.418 -4.138 7.642) 9.338 10.332 ( 0.277 -4.568 2.699) 5.312 10.502 ( -2.238 -3.597 -1.439) 4.474 11.049 ( 2.145 0.625 1.171) 2.522 11.210 ( -1.141 3.067 -2.163) 3.922 11.269 ( 5.420 0.693 1.891) 5.782 11.491 ( -2.315 -4.242 1.500) 5.060 11.839 ( 0.464 -0.858 -1.300) 1.625 12.023 ( -5.098 -1.068 1.596) 5.448 12.212 ( 6.320 -6.002 1.101) 8.785 12.411 ( -1.001 -9.465 0.732) 9.546 12.861 ( 0.806 2.381 1.113) 2.749 13.003 ( -1.101 0.362 -4.203) 4.360 13.260 ( -2.130 -8.392 3.190) 9.227 13.344 ( -0.648 -9.459 -5.642) 11.033 13.576 ( -0.055 -0.142 1.155) 1.165 13.690 ( -2.937 -2.115 -0.462) 3.649 13.852 ( 1.669 4.547 1.144) 4.976 13.870 ( -0.804 5.217 3.224) 6.185 14.315 ( 4.615 7.109 2.208) 8.758 14.351 ( 4.837 7.852 -3.557) 9.885 14.780 ( -0.895 5.967 3.955) 7.215 15.011 ( -2.422 7.322 -5.905) 9.714 15.123 ( -2.107 -6.952 2.087) 7.558 15.224 ( -1.086 -1.184 -4.462) 4.742 15.619 ( 5.862 -1.292 8.658) 10.535 15.872 ( 2.651 -0.401 2.758) 3.847 16.111 ( 1.253 3.385 1.834) 4.049 16.180 ( 1.730 -7.052 -2.681) 7.741 16.461 ( -1.060 4.755 -2.597) 5.521 16.571 ( -2.850 2.900 -7.289) 8.347 16.860 ( 10.470 1.519 20.051) 22.671 17.135 ( -1.198 -2.314 2.680) 3.738 17.229 ( 3.855 10.612 10.911) 15.701 17.453 ( -0.339 8.411 -4.072) 9.351 17.558 ( -5.373 -5.539 -10.612) 13.121 17.909 ( -9.246 6.196 -19.070) 22.080 18.117 ( -0.653 0.572 -0.912) 1.259 18.192 ( -1.252 -2.142 3.351) 4.169 18.361 ( 2.417 1.370 -0.660) 2.855 18.588 ( 0.563 -1.903 -3.320) 3.868 18.615 ( 1.036 3.690 -2.685) 4.680 18.690 ( -1.714 3.299 4.816) 6.084 18.747 ( 0.434 -9.441 -2.622) 9.808 18.874 ( -4.667 -1.154 -0.404) 4.825 18.962 ( -3.439 -4.746 5.375) 7.953 19.061 ( 3.794 1.086 -7.300) 8.298 19.201 ( 4.678 -1.904 2.529) 5.648 19.243 ( 2.202 -3.130 2.924) 4.816 19.276 ( 2.250 -2.269 5.825) 6.644 19.438 ( -1.843 -2.103 0.778) 2.902 19.550 ( 2.870 2.195 -3.063) 4.737 19.633 ( -3.464 6.928 -5.520) 9.511 19.730 ( -1.561 -0.516 -4.154) 4.467 19.890 ( -6.677 -5.908 -1.717) 9.080 20.148 ( 3.398 -4.295 4.314) 6.972 20.312 ( 6.623 -8.477 3.035) 11.177 20.426 ( 1.343 -6.021 -1.133) 6.273 20.454 ( 4.549 0.611 2.052) 5.027 20.503 ( -6.707 -5.675 1.295) 8.880 20.767 ( -1.602 2.642 -5.008) 5.884 20.962 ( 14.037 -10.614 -0.899) 17.621 21.380 ( -9.764 -9.460 9.934) 16.838 22.368 ( -0.412 -0.886 0.855) 1.298 22.401 ( 0.018 -0.200 -1.442) 1.456 22.455 ( 1.307 -4.588 0.705) 4.822 22.508 ( -0.269 -3.561 -0.721) 3.643 22.884 ( 0.563 1.805 0.331) 1.919 22.894 ( 0.281 2.000 0.096) 2.022 23.084 ( -0.241 -1.489 0.043) 1.508 23.092 ( 0.063 -1.307 -0.743) 1.504 24.104 ( 7.133 10.015 0.637) 12.312 24.204 ( 6.094 12.845 10.385) 17.606 24.449 ( -9.331 11.638 -3.165) 15.249 24.854 ( -13.469 11.252 -13.597) 22.202 25.422 ( 4.393 -7.017 -2.881) 8.766 25.648 ( -2.553 -10.708 5.503) 12.307 25.874 ( 5.464 8.175 9.568) 13.720 26.094 ( -0.305 -0.677 -3.008) 3.098 26.622 ( -4.365 18.996 3.873) 19.872 26.657 ( -1.347 13.700 -15.230) 20.529 27.003 ( 13.305 5.410 -10.942) 18.056 27.251 ( -1.000 -0.557 9.902) 9.967 27.370 ( 8.661 -2.978 -6.184) 11.051 27.550 ( -6.747 -3.142 9.929) 12.409 28.276 ( -0.839 6.500 2.391) 6.976 28.373 ( -1.559 3.203 -2.468) 4.334 28.608 ( 0.776 -6.914 13.026) 14.768 28.731 ( -2.277 -4.711 -0.864) 5.303 28.821 ( 4.727 -0.884 -5.229) 7.104 28.885 ( 1.008 -2.247 -12.155) 12.402 29.130 ( -1.949 -5.029 -0.338) 5.404 29.157 ( -1.920 -5.314 -1.930) 5.970 29.313 ( 2.127 -10.794 1.475) 11.100 29.382 ( -0.971 -11.580 1.689) 11.743 30.296 ( 1.900 10.824 8.195) 13.708 30.438 ( 4.423 16.670 -4.521) 17.830 31.077 ( 1.196 -2.346 6.994) 7.473 31.391 ( -1.380 -6.438 4.118) 7.766 31.577 ( 2.257 1.842 6.817) 7.414 31.703 ( 0.911 -3.980 -1.838) 4.478 31.840 ( -1.509 2.135 -3.754) 4.575 32.290 ( -6.784 -6.920 -13.634) 16.727 32.591 ( 3.377 1.264 -2.162) 4.204 32.719 ( -3.010 3.635 4.035) 6.209 32.822 ( 1.366 -0.848 1.886) 2.479 32.965 ( -1.454 -1.735 -1.834) 2.913 33.910 ( -5.633 0.537 11.323) 12.658 33.928 ( 4.260 0.580 -10.184) 11.054 34.165 ( -3.158 -1.345 11.536) 12.036 34.274 ( 4.551 -3.846 -10.495) 12.069 37.589 ( -0.009 1.760 -0.820) 1.942 37.665 ( -3.079 2.082 -1.980) 4.211 38.012 ( 6.091 -3.227 -2.138) 7.217 38.093 ( -2.242 -3.159 6.263) 7.365 38.973 ( -0.037 6.447 0.459) 6.464 38.995 ( -0.325 6.458 -1.005) 6.544 39.246 ( 2.594 3.237 3.628) 5.511 39.300 ( -0.466 2.955 -0.611) 3.053 39.368 ( -4.057 2.105 -0.301) 4.580 39.447 ( 4.278 6.383 0.424) 7.696 39.562 ( -3.507 1.860 -5.314) 6.633 39.661 ( -0.854 0.734 -3.718) 3.885 39.714 ( -2.646 -1.900 -2.567) 4.148 39.803 ( -1.215 1.349 -3.491) 3.935 39.970 ( 5.492 -1.451 1.575) 5.895 40.131 ( -0.140 -0.706 -0.134) 0.732 40.504 ( 0.541 -4.963 3.277) 5.972 40.613 ( -8.807 0.311 4.345) 9.825 41.126 ( 14.319 -14.729 11.848) 23.714 41.382 ( 6.022 -13.228 7.647) 16.423 41.780 ( 3.253 -6.766 6.223) 9.751 41.994 ( -0.441 1.022 -0.752) 1.343 42.211 ( -3.538 -6.132 -3.175) 7.759 42.472 ( 0.000 16.026 -7.760) 17.806 42.640 ( -12.270 -12.297 -2.427) 17.540 42.957 ( -12.943 1.000 -2.636) 13.247 43.319 ( -5.250 3.863 5.798) 8.724 43.497 ( -3.610 6.242 -11.076) 13.216 43.988 ( 5.842 0.812 8.542) 10.381 44.101 ( 7.995 3.464 4.701) 9.900 44.450 ( -5.455 1.677 -16.648) 17.599 44.553 ( -9.483 1.524 -3.734) 10.305 ======================= Grid point 145 (72/80) ======================= q-point: (-0.50 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 7.985 6.923 -17.119) 20.118 0.983 ( -7.985 6.923 17.119) 20.118 1.548 ( -9.673 32.203 -22.791) 40.621 1.548 ( 9.673 32.203 22.791) 40.621 1.949 ( -4.550 15.237 -3.757) 16.339 1.949 ( 4.550 15.237 3.757) 16.339 2.638 ( -2.078 -1.463 -3.561) 4.375 2.638 ( 2.078 -1.463 3.561) 4.375 2.875 ( 1.379 0.600 -4.948) 5.172 2.875 ( -1.379 0.600 4.948) 5.172 3.038 ( -8.940 2.259 -4.037) 10.066 3.038 ( 8.940 2.259 4.037) 10.066 3.469 ( -3.508 1.183 -6.758) 7.705 3.469 ( 3.508 1.183 6.758) 7.705 3.701 ( -3.674 3.184 -6.182) 7.865 3.701 ( 3.674 3.184 6.182) 7.865 3.960 ( 4.857 9.041 -9.193) 13.778 3.960 ( -4.857 9.041 9.193) 13.778 4.292 ( 1.011 -6.306 -8.494) 10.627 4.292 ( -1.011 -6.306 8.494) 10.627 4.575 ( -1.224 0.478 -17.836) 17.884 4.575 ( 1.224 0.478 17.836) 17.884 4.903 ( -0.858 1.168 -6.696) 6.851 4.903 ( 0.858 1.168 6.696) 6.851 4.992 ( -2.788 -2.663 -4.882) 6.221 4.992 ( 2.788 -2.663 4.882) 6.221 5.325 ( -2.884 -4.991 -1.149) 5.878 5.325 ( 2.884 -4.991 1.149) 5.878 5.551 ( -1.465 -6.267 -6.715) 9.301 5.551 ( 1.465 -6.267 6.715) 9.301 5.749 ( -4.494 4.717 -6.416) 9.143 5.749 ( 4.494 4.717 6.416) 9.143 6.069 ( -8.911 1.976 -5.851) 10.842 6.069 ( 8.911 1.976 5.851) 10.842 6.234 ( 2.082 5.114 -7.597) 9.392 6.234 ( -2.082 5.114 7.597) 9.392 6.484 ( -7.883 1.312 -6.045) 10.020 6.484 ( 7.883 1.312 6.045) 10.020 6.704 ( -0.089 0.554 -17.575) 17.584 6.704 ( 0.089 0.554 17.575) 17.584 7.065 ( -5.684 -2.375 -4.528) 7.646 7.065 ( 5.684 -2.375 4.528) 7.646 7.197 ( 3.491 2.113 -2.572) 4.823 7.197 ( -3.491 2.113 2.572) 4.823 7.652 ( -7.901 -8.526 -0.053) 11.624 7.652 ( 7.901 -8.526 0.053) 11.624 8.039 ( -7.163 9.631 -3.850) 12.606 8.039 ( 7.163 9.631 3.850) 12.606 8.119 ( 2.126 10.321 -8.930) 13.813 8.119 ( -2.126 10.321 8.930) 13.813 8.500 ( 6.778 -2.044 -6.702) 9.748 8.500 ( -6.778 -2.044 6.702) 9.748 8.701 ( -5.350 -1.099 -2.342) 5.943 8.701 ( 5.350 -1.099 2.342) 5.943 9.037 ( -1.530 -11.516 -3.657) 12.179 9.037 ( 1.530 -11.516 3.657) 12.179 9.351 ( -2.411 -2.438 -2.508) 4.248 9.351 ( 2.411 -2.438 2.508) 4.248 9.559 ( -3.130 4.775 -4.668) 7.375 9.559 ( 3.130 4.775 4.668) 7.375 10.141 ( -5.533 -3.419 -3.997) 7.634 10.141 ( 5.533 -3.419 3.997) 7.634 10.420 ( -2.904 -7.414 -6.254) 10.125 10.420 ( 2.904 -7.414 6.254) 10.125 11.135 ( -3.736 2.904 -3.745) 6.034 11.135 ( 3.736 2.904 3.744) 6.034 11.401 ( -6.685 -3.549 -1.390) 7.695 11.401 ( 6.685 -3.549 1.390) 7.695 11.915 ( -6.430 -0.010 -1.241) 6.549 11.915 ( 6.430 -0.010 1.241) 6.549 12.336 ( -5.684 -7.158 -2.288) 9.423 12.336 ( 5.684 -7.158 2.288) 9.423 12.930 ( -2.729 1.339 -4.773) 5.659 12.930 ( 2.729 1.339 4.773) 5.659 13.279 ( -0.736 -9.511 -4.436) 10.520 13.279 ( 0.736 -9.511 4.436) 10.520 13.622 ( -3.041 -1.347 -2.084) 3.925 13.622 ( 3.041 -1.347 2.084) 3.925 13.875 ( 1.227 5.619 -1.585) 5.966 13.875 ( -1.227 5.619 1.585) 5.966 14.372 ( 0.473 5.775 -2.121) 6.170 14.372 ( -0.473 5.775 2.121) 6.170 14.873 ( -4.620 10.982 -7.540) 14.100 14.873 ( 4.620 10.982 7.540) 14.100 15.161 ( 0.358 -6.470 -8.065) 10.345 15.161 ( -0.358 -6.470 8.065) 10.345 15.800 ( -4.931 -2.305 -9.809) 11.217 15.800 ( 4.931 -2.305 9.809) 11.217 16.173 ( 0.523 2.227 -9.757) 10.022 16.173 ( -0.523 2.227 9.757) 10.022 16.461 ( -0.508 -4.666 -10.706) 11.689 16.461 ( 0.508 -4.666 10.706) 11.689 17.195 ( -6.001 3.978 -13.283) 15.109 17.195 ( 6.001 3.978 13.283) 15.109 17.280 ( -1.513 7.959 -14.964) 17.016 17.280 ( 1.513 7.959 14.964) 17.016 17.592 ( -5.328 5.399 -17.611) 19.176 17.592 ( 5.328 5.399 17.611) 19.176 18.151 ( -2.617 -0.591 -2.132) 3.427 18.151 ( 2.617 -0.591 2.132) 3.427 18.485 ( -2.599 -0.629 -12.046) 12.339 18.485 ( 2.599 -0.629 12.046) 12.339 18.631 ( 3.316 2.015 -2.897) 4.842 18.631 ( -3.316 2.015 2.897) 4.842 18.793 ( -1.461 -4.195 -4.726) 6.486 18.793 ( 1.461 -4.195 4.726) 6.486 19.007 ( 0.709 1.278 -9.454) 9.566 19.007 ( -0.709 1.278 9.454) 9.566 19.255 ( -0.955 -2.883 -1.135) 3.242 19.255 ( 0.955 -2.883 1.135) 3.242 19.438 ( 2.885 -2.388 -3.485) 5.116 19.438 ( -2.885 -2.388 3.485) 5.116 19.533 ( 1.807 2.400 -4.442) 5.363 19.533 ( -1.807 2.400 4.442) 5.363 19.745 ( 3.064 -0.118 -3.951) 5.001 19.745 ( -3.064 -0.118 3.951) 5.001 20.294 ( -4.471 -7.408 -6.753) 10.976 20.294 ( 4.471 -7.408 6.753) 10.976 20.428 ( 3.008 -5.581 -4.935) 8.034 20.428 ( -3.008 -5.581 4.935) 8.034 20.644 ( -6.457 -0.320 -8.342) 10.554 20.644 ( 6.457 -0.320 8.342) 10.554 21.204 ( -12.173 -11.137 1.949) 16.614 21.204 ( 12.173 -11.137 -1.949) 16.614 22.381 ( -0.421 -0.733 -1.723) 1.919 22.381 ( 0.421 -0.733 1.723) 1.919 22.486 ( -1.251 -5.034 -0.974) 5.277 22.486 ( 1.251 -5.034 0.974) 5.277 22.894 ( 0.238 1.743 -0.710) 1.897 22.894 ( -0.238 1.743 0.710) 1.897 23.086 ( 0.322 -1.290 -1.123) 1.740 23.086 ( -0.322 -1.290 1.123) 1.740 24.247 ( -8.434 7.211 0.487) 11.107 24.247 ( 8.434 7.211 -0.487) 11.107 24.505 ( -12.614 18.039 -12.120) 25.128 24.505 ( 12.614 18.039 12.120) 25.128 25.545 ( -1.760 -12.086 -5.144) 13.253 25.545 ( 1.760 -12.086 5.144) 13.253 26.036 ( -1.994 0.853 -9.576) 9.818 26.036 ( 1.994 0.853 9.576) 9.818 26.560 ( 6.408 23.210 -12.536) 27.147 26.560 ( -6.408 23.210 12.536) 27.147 27.203 ( 14.086 -1.043 -8.817) 16.651 27.203 ( -14.086 -1.043 8.817) 16.651 27.476 ( 9.205 -2.729 -7.652) 12.277 27.476 ( -9.205 -2.729 7.652) 12.277 28.312 ( -1.575 5.873 -3.567) 7.049 28.312 ( 1.575 5.873 3.567) 7.049 28.693 ( 1.962 -6.745 -8.635) 11.132 28.693 ( -1.962 -6.745 8.635) 11.132 28.837 ( 0.698 -0.385 -4.118) 4.194 28.837 ( -0.698 -0.385 4.118) 4.194 29.119 ( 0.199 -4.236 -1.439) 4.478 29.119 ( -0.199 -4.236 1.439) 4.478 29.361 ( -0.819 -12.456 -1.455) 12.567 29.361 ( 0.819 -12.456 1.455) 12.567 30.402 ( -1.200 11.128 -8.129) 13.833 30.402 ( 1.200 11.128 8.129) 13.833 31.249 ( -7.862 -1.642 -11.040) 13.652 31.249 ( 7.862 -1.642 11.040) 13.652 31.645 ( -0.386 -1.694 -9.736) 9.889 31.645 ( 0.386 -1.694 9.736) 9.889 32.019 ( -9.637 -5.116 -13.921) 17.688 32.019 ( 9.637 -5.116 13.921) 17.688 32.666 ( 0.667 3.794 -3.864) 5.457 32.666 ( -0.667 3.794 3.864) 5.457 32.890 ( -2.481 -1.218 -3.763) 4.669 32.890 ( 2.481 -1.218 3.763) 4.669 33.915 ( 4.978 0.480 -10.726) 11.835 33.915 ( -4.978 0.480 10.726) 11.835 34.229 ( 2.731 -1.522 -13.059) 13.428 34.229 ( -2.731 -1.522 13.059) 13.428 37.606 ( -1.728 2.349 -1.068) 3.106 37.606 ( 1.728 2.349 1.068) 3.106 38.080 ( 4.543 -3.939 -4.487) 7.502 38.080 ( -4.543 -3.939 4.487) 7.502 38.981 ( -0.356 6.449 -0.691) 6.495 38.981 ( 0.356 6.449 0.691) 6.495 39.296 ( 2.324 2.217 -3.089) 4.456 39.296 ( -2.324 2.217 3.089) 4.456 39.383 ( -3.066 4.617 -9.235) 10.770 39.383 ( 3.066 4.617 9.235) 10.770 39.576 ( -4.026 3.046 -2.957) 5.851 39.576 ( 4.026 3.046 2.957) 5.851 39.737 ( -1.917 1.775 -4.131) 4.888 39.737 ( 1.917 1.775 4.131) 4.888 40.094 ( -4.885 -3.450 -0.464) 5.998 40.094 ( 4.885 -3.450 0.464) 5.998 40.525 ( 1.724 -1.667 -3.861) 4.545 40.525 ( -1.724 -1.667 3.861) 4.545 41.408 ( -7.891 -18.090 -3.110) 19.980 41.408 ( 7.891 -18.090 3.110) 19.980 41.896 ( -1.481 -0.828 -10.103) 10.245 41.896 ( 1.481 -0.828 10.103) 10.245 42.262 ( -6.533 0.399 -8.916) 11.061 42.262 ( 6.533 0.399 8.916) 11.061 42.703 ( -10.410 2.467 -4.081) 11.451 42.703 ( 10.410 2.467 4.081) 11.451 43.356 ( -1.708 4.677 -8.645) 9.977 43.356 ( 1.708 4.677 8.645) 9.977 44.178 ( -1.479 2.093 -15.383) 15.595 44.178 ( 1.479 2.093 15.383) 15.595 44.348 ( -3.655 1.167 -5.617) 6.802 44.348 ( 3.655 1.167 5.617) 6.802 ======================= Grid point 149 (73/80) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -9.922 -3.458 -1.921) 10.682 1.592 ( 9.922 -3.458 1.921) 10.682 1.925 ( -2.071 -2.886 -5.822) 6.821 1.925 ( 2.071 -2.886 5.822) 6.821 2.599 ( -3.738 5.884 -7.491) 10.233 2.599 ( 3.738 5.884 7.491) 10.233 2.750 ( -3.919 -2.443 -7.785) 9.052 2.750 ( 3.919 -2.443 7.785) 9.052 2.950 ( -4.295 2.995 -6.885) 8.650 2.950 ( 4.295 2.995 6.885) 8.650 3.359 ( 0.218 0.142 -7.263) 7.268 3.359 ( -0.218 0.142 7.263) 7.268 3.459 ( 1.267 -5.793 -6.793) 9.017 3.459 ( -1.267 -5.793 6.793) 9.017 3.662 ( -0.680 -7.284 -1.105) 7.399 3.662 ( 0.680 -7.284 1.105) 7.399 4.005 ( -3.140 8.112 -3.954) 9.555 4.005 ( 3.140 8.112 3.954) 9.555 4.388 ( -4.646 4.505 -9.692) 11.654 4.388 ( 4.646 4.505 9.692) 11.654 4.628 ( 5.169 7.959 -10.280) 13.991 4.628 ( -5.169 7.959 10.280) 13.991 4.814 ( 0.257 4.117 -1.710) 4.466 4.814 ( -0.257 4.117 1.710) 4.466 4.962 ( -3.088 3.276 -7.337) 8.608 4.962 ( 3.088 3.276 7.337) 8.608 5.305 ( 3.011 -9.596 -10.152) 14.290 5.305 ( -3.011 -9.596 10.152) 14.290 5.385 ( -0.836 4.026 -4.659) 6.214 5.385 ( 0.836 4.026 4.659) 6.214 5.635 ( -0.054 9.105 -8.356) 12.359 5.635 ( 0.054 9.105 8.356) 12.359 5.836 ( -4.202 5.535 0.497) 6.967 5.836 ( 4.202 5.535 -0.497) 6.967 6.378 ( 3.909 -2.464 -15.591) 16.261 6.378 ( -3.909 -2.464 15.591) 16.261 6.597 ( 5.024 4.339 -8.468) 10.760 6.597 ( -5.024 4.339 8.468) 10.760 6.859 ( -5.168 -10.514 -9.113) 14.843 6.859 ( 5.168 -10.514 9.113) 14.843 6.998 ( -0.022 14.846 -3.410) 15.233 6.998 ( 0.022 14.846 3.410) 15.233 7.458 ( -2.986 -0.110 -10.664) 11.075 7.458 ( 2.986 -0.110 10.664) 11.075 7.699 ( -6.735 -5.775 -3.594) 9.572 7.699 ( 6.735 -5.775 3.594) 9.572 7.888 ( -7.745 -1.239 -2.025) 8.101 7.888 ( 7.745 -1.239 2.025) 8.101 8.157 ( -3.590 2.805 0.164) 4.559 8.157 ( 3.590 2.805 -0.164) 4.559 8.422 ( -2.930 -12.386 -4.550) 13.516 8.422 ( 2.930 -12.386 4.550) 13.516 8.767 ( -4.068 -4.928 -4.640) 7.897 8.767 ( 4.068 -4.928 4.640) 7.897 9.022 ( -5.078 -2.051 1.001) 5.567 9.022 ( 5.078 -2.051 -1.001) 5.567 9.314 ( -7.076 6.447 0.926) 9.617 9.314 ( 7.076 6.447 -0.926) 9.617 9.553 ( -5.285 -0.388 -3.689) 6.457 9.553 ( 5.285 -0.388 3.689) 6.457 10.092 ( 0.041 -0.108 -2.442) 2.445 10.092 ( -0.041 -0.108 2.442) 2.445 10.400 ( -6.482 8.078 -10.750) 14.928 10.400 ( 6.482 8.078 10.750) 14.928 11.117 ( -4.023 -0.918 -3.167) 5.202 11.117 ( 4.023 -0.918 3.167) 5.202 11.310 ( -2.081 -2.771 -4.428) 5.623 11.310 ( 2.081 -2.771 4.428) 5.623 11.933 ( -3.255 -5.749 -1.623) 6.803 11.933 ( 3.255 -5.749 1.623) 6.803 12.062 ( -2.948 -4.380 -1.257) 5.428 12.062 ( 2.948 -4.380 1.257) 5.428 12.994 ( -2.224 -0.899 -1.611) 2.890 12.994 ( 2.224 -0.899 1.611) 2.890 13.217 ( 0.161 -3.456 -2.475) 4.254 13.217 ( -0.161 -3.456 2.475) 4.254 13.710 ( -2.056 0.326 -2.468) 3.229 13.710 ( 2.056 0.326 2.468) 3.229 13.802 ( -2.710 0.839 -1.577) 3.246 13.802 ( 2.710 0.839 1.577) 3.246 14.489 ( -0.096 16.441 -4.313) 16.998 14.489 ( 0.096 16.441 4.313) 16.998 14.909 ( -3.498 -4.740 -2.055) 6.239 14.909 ( 3.498 -4.740 2.055) 6.239 15.094 ( -2.774 -7.806 -4.946) 9.648 15.094 ( 2.774 -7.806 4.946) 9.648 15.680 ( -3.352 6.297 -6.724) 9.803 15.680 ( 3.352 6.297 6.724) 9.803 16.230 ( 0.676 -1.130 -7.682) 7.794 16.230 ( -0.676 -1.130 7.682) 7.794 16.510 ( -3.939 17.460 -1.463) 17.959 16.510 ( 3.939 17.460 1.463) 17.959 17.075 ( -2.167 1.179 -18.099) 18.266 17.075 ( 2.167 1.179 18.099) 18.266 17.266 ( -5.213 -3.114 -7.127) 9.363 17.266 ( 5.213 -3.114 7.127) 9.363 17.772 ( 0.926 -14.426 -18.360) 23.368 17.772 ( -0.926 -14.426 18.360) 23.368 18.198 ( -7.038 -5.127 -4.430) 9.770 18.198 ( 7.038 -5.127 4.430) 9.770 18.331 ( -2.293 -11.704 -5.015) 12.938 18.331 ( 2.293 -11.704 5.015) 12.938 18.590 ( 1.124 0.561 -3.178) 3.418 18.590 ( -1.124 0.561 3.178) 3.418 18.698 ( 1.656 8.765 -12.076) 15.013 18.698 ( -1.656 8.765 12.076) 15.013 18.965 ( -0.365 -1.051 -2.942) 3.146 18.965 ( 0.365 -1.051 2.942) 3.146 19.275 ( 0.817 0.758 -0.909) 1.438 19.275 ( -0.817 0.758 0.909) 1.438 19.403 ( 1.343 -4.426 -5.507) 7.192 19.403 ( -1.343 -4.426 5.507) 7.192 19.539 ( -4.259 2.274 -1.043) 4.939 19.539 ( 4.259 2.274 1.043) 4.939 19.924 ( 0.128 2.217 -10.146) 10.387 19.924 ( -0.128 2.217 10.146) 10.387 20.112 ( -11.811 -3.392 -3.153) 12.686 20.112 ( 11.811 -3.392 3.153) 12.686 20.360 ( -2.018 -2.334 0.327) 3.103 20.360 ( 2.018 -2.334 -0.327) 3.103 20.450 ( 0.640 -7.101 -3.879) 8.117 20.450 ( -0.640 -7.101 3.879) 8.117 21.110 ( -4.072 0.015 -8.477) 9.404 21.110 ( 4.072 0.015 8.477) 9.404 22.389 ( -0.529 -0.025 -0.401) 0.665 22.389 ( 0.529 -0.025 0.401) 0.665 22.451 ( -1.626 -0.838 -0.881) 2.031 22.451 ( 1.626 -0.838 0.881) 2.031 22.930 ( 0.275 3.277 -0.865) 3.400 22.930 ( -0.275 3.277 0.865) 3.400 23.054 ( 0.441 -2.811 -1.032) 3.027 23.054 ( -0.441 -2.811 1.032) 3.027 24.256 ( -0.059 12.390 -5.217) 13.444 24.256 ( 0.059 12.390 5.217) 13.444 24.835 ( -5.844 -8.735 -8.353) 13.424 24.835 ( 5.844 -8.735 8.353) 13.424 25.795 ( -5.588 8.845 -1.668) 10.594 25.795 ( 5.588 8.845 1.668) 10.594 26.060 ( -13.194 17.238 -10.245) 24.004 26.060 ( 13.194 17.238 10.245) 24.004 26.650 ( -1.631 -0.695 -16.824) 16.918 26.650 ( 1.631 -0.695 16.824) 16.918 27.218 ( 3.839 -5.803 -10.652) 12.723 27.218 ( -3.839 -5.803 10.652) 12.723 27.414 ( -4.666 13.215 -4.057) 14.590 27.414 ( 4.666 13.215 4.057) 14.590 28.237 ( 1.574 -15.045 -1.969) 15.255 28.237 ( -1.574 -15.045 1.969) 15.255 28.566 ( -4.043 6.936 -1.653) 8.197 28.566 ( 4.043 6.936 1.653) 8.197 28.826 ( 4.693 -7.686 -6.190) 10.928 28.826 ( -4.693 -7.686 6.190) 10.928 29.059 ( 1.064 -6.350 -2.581) 6.937 29.059 ( -1.064 -6.350 2.581) 6.937 29.246 ( 0.202 -2.402 -5.469) 5.977 29.246 ( -0.202 -2.402 5.469) 5.977 30.614 ( -6.538 18.473 -2.062) 19.704 30.614 ( 6.538 18.473 2.062) 19.704 31.083 ( -2.829 -6.991 -8.260) 11.185 31.083 ( 2.829 -6.991 8.260) 11.185 31.553 ( -3.989 3.522 -1.618) 5.562 31.553 ( 3.989 3.522 1.618) 5.562 32.321 ( -4.592 -2.105 -4.715) 6.910 32.321 ( 4.592 -2.105 4.715) 6.910 32.652 ( -1.969 0.335 -7.079) 7.355 32.652 ( 1.969 0.335 7.079) 7.355 32.798 ( -3.114 -4.599 -2.963) 6.295 32.798 ( 3.114 -4.599 2.963) 6.295 33.932 ( 6.031 -0.078 -10.562) 12.163 33.932 ( -6.031 -0.078 10.562) 12.163 34.093 ( 4.812 -4.759 -9.487) 11.653 34.093 ( -4.812 -4.759 9.487) 11.653 37.682 ( -1.560 0.169 -2.017) 2.556 37.682 ( 1.560 0.169 2.017) 2.556 37.970 ( -0.346 -0.464 -4.526) 4.563 37.970 ( 0.346 -0.464 4.526) 4.563 39.153 ( -0.047 9.454 -0.418) 9.464 39.153 ( 0.047 9.454 0.418) 9.464 39.322 ( -3.436 4.106 -2.187) 5.784 39.322 ( 3.436 4.106 2.187) 5.784 39.448 ( -1.741 -0.045 -1.113) 2.067 39.448 ( 1.741 -0.045 1.113) 2.067 39.575 ( 1.785 -1.636 -1.563) 2.882 39.575 ( -1.785 -1.636 1.563) 2.882 39.824 ( -1.721 -1.825 -4.664) 5.295 39.824 ( 1.721 -1.825 4.664) 5.295 40.035 ( -6.090 -8.889 -7.463) 13.108 40.035 ( 6.090 -8.889 7.463) 13.108 40.402 ( -3.302 0.215 -5.962) 6.819 40.402 ( 3.302 0.215 5.962) 6.819 40.900 ( -3.315 -3.731 -4.400) 6.653 40.900 ( 3.315 -3.731 4.400) 6.653 41.767 ( -8.601 5.668 -5.239) 11.556 41.767 ( 8.601 5.668 5.239) 11.556 42.266 ( -7.055 -14.315 -6.979) 17.418 42.266 ( 7.055 -14.315 6.979) 17.418 43.169 ( 2.011 3.789 -7.813) 8.913 43.169 ( -2.011 3.789 7.813) 8.913 43.502 ( 6.621 -0.782 -5.453) 8.613 43.502 ( -6.621 -0.782 5.453) 8.613 44.048 ( 3.432 4.743 -6.668) 8.873 44.048 ( -3.432 4.743 6.668) 8.873 44.778 ( 0.072 0.769 -3.111) 3.205 44.778 ( -0.072 0.769 3.111) 3.205 ======================= Grid point 151 (74/80) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -15.839 1.756 -1.253) 15.985 1.515 ( -20.615 -7.073 6.674) 22.794 1.834 ( 0.242 3.467 1.690) 3.864 2.089 ( 2.211 -5.268 1.905) 6.023 2.381 ( -7.946 13.226 -16.624) 22.681 2.604 ( -2.090 -0.882 -3.704) 4.343 2.734 ( -0.830 5.855 5.723) 8.230 2.774 ( 0.902 0.553 1.878) 2.155 2.852 ( -2.005 -1.072 -5.920) 6.342 3.043 ( 0.503 -0.027 6.664) 6.683 3.256 ( -4.515 5.131 -7.304) 10.003 3.378 ( -1.608 2.444 -3.754) 4.759 3.485 ( 2.290 -2.507 3.884) 5.159 3.517 ( 2.924 -6.609 1.692) 7.423 3.659 ( -0.080 -2.341 0.114) 2.345 3.668 ( -0.515 -4.102 3.631) 5.503 3.984 ( -1.948 10.669 -10.264) 14.933 4.033 ( 2.840 4.720 -0.774) 5.563 4.270 ( 0.640 10.147 -6.383) 12.005 4.510 ( -9.208 7.882 1.890) 12.267 4.541 ( 0.528 -1.582 -0.740) 1.824 4.553 ( 2.050 -3.040 -3.561) 5.111 4.784 ( 1.420 2.723 -1.085) 3.257 4.836 ( 3.191 9.010 -0.813) 9.592 4.934 ( 1.955 1.388 -0.816) 2.533 5.094 ( 2.552 1.086 1.136) 2.997 5.146 ( -7.375 -14.569 -3.822) 16.771 5.348 ( -0.174 -12.809 -4.589) 13.607 5.407 ( -2.681 5.891 7.278) 9.740 5.501 ( 2.161 1.571 11.004) 11.323 5.610 ( 4.501 8.518 -1.748) 9.792 5.695 ( 5.988 3.208 -0.090) 6.794 5.887 ( 6.074 5.100 3.372) 8.619 5.975 ( 7.369 12.959 5.776) 15.987 6.304 ( 2.544 2.977 -11.674) 12.313 6.418 ( -8.100 -3.421 17.664) 19.732 6.553 ( -2.252 -4.673 -0.428) 5.205 6.617 ( -4.895 7.562 0.955) 9.059 6.670 ( -0.232 -0.852 -10.128) 10.166 6.910 ( -4.335 6.877 1.685) 8.302 6.965 ( -3.247 7.342 3.445) 8.736 7.056 ( 3.731 3.900 -1.819) 5.696 7.339 ( -4.559 4.008 1.072) 6.164 7.521 ( -8.889 -5.127 -2.911) 10.667 7.608 ( 2.557 -2.972 7.547) 8.505 7.714 ( -5.701 -7.162 -1.135) 9.224 7.879 ( 9.101 -5.579 -0.958) 10.718 7.978 ( 1.986 5.569 5.129) 7.827 8.143 ( 2.803 -2.305 3.728) 5.202 8.309 ( -7.537 -3.049 6.487) 10.401 8.402 ( 12.274 -5.686 2.088) 13.688 8.483 ( -1.766 -7.701 0.536) 7.919 8.624 ( -3.765 -7.831 -4.869) 9.961 8.796 ( -1.961 0.013 -2.113) 2.883 8.918 ( -5.196 -8.878 -2.273) 10.534 9.019 ( -2.970 -4.082 -7.902) 9.377 9.258 ( 1.892 11.543 1.779) 11.831 9.412 ( 3.666 6.072 -2.328) 7.465 9.510 ( 3.484 2.593 1.331) 4.542 9.620 ( -0.400 0.258 -3.345) 3.379 10.056 ( -1.692 -2.640 -1.494) 3.474 10.104 ( -0.579 0.369 0.476) 0.835 10.228 ( -1.890 3.115 -5.714) 6.777 10.503 ( -1.774 -1.735 -0.443) 2.521 11.059 ( 0.120 2.293 -0.522) 2.354 11.198 ( 2.911 2.554 2.054) 4.384 11.275 ( 1.006 -1.724 -1.341) 2.405 11.378 ( 0.353 -6.144 3.658) 7.159 11.853 ( -2.665 -2.313 -2.134) 4.124 11.994 ( 3.635 -5.004 0.442) 6.201 12.043 ( -1.010 -2.087 2.482) 3.397 12.149 ( 2.858 -8.610 4.513) 10.133 12.940 ( -1.874 2.110 -1.722) 3.306 13.029 ( 1.055 -0.625 -0.106) 1.230 13.168 ( -2.236 -4.423 -2.811) 5.697 13.220 ( 0.251 -5.550 -3.092) 6.358 13.634 ( -3.407 1.526 -1.662) 4.086 13.703 ( -2.269 -1.338 -0.382) 2.662 13.836 ( 3.273 2.255 3.988) 5.630 13.880 ( 2.184 0.181 3.866) 4.444 14.428 ( -1.127 12.004 0.711) 12.077 14.575 ( 3.737 16.640 -2.920) 17.302 14.835 ( -2.141 -1.715 3.429) 4.391 14.948 ( 0.288 -3.276 0.849) 3.396 15.042 ( -0.973 -6.904 -0.935) 7.035 15.250 ( 7.076 -8.880 5.051) 12.428 15.575 ( -2.664 10.386 -2.972) 11.126 15.777 ( 2.771 -1.559 1.664) 3.589 16.134 ( -1.800 2.235 -5.270) 6.000 16.243 ( -1.142 2.787 -1.683) 3.451 16.528 ( 0.912 12.393 4.043) 13.067 16.699 ( 8.727 10.736 3.702) 14.322 16.822 ( -5.247 -1.160 -12.999) 14.066 17.029 ( -3.429 -11.577 -5.118) 13.114 17.301 ( 2.168 9.376 12.561) 15.823 17.404 ( 4.143 3.826 5.091) 7.598 17.744 ( 5.723 -0.544 -6.050) 8.346 17.966 ( 0.466 -10.615 13.945) 17.532 18.094 ( -0.331 -7.445 0.870) 7.503 18.230 ( -4.763 -6.034 -6.375) 9.986 18.360 ( 6.365 -6.462 2.659) 9.452 18.417 ( 3.231 -13.635 4.646) 14.763 18.573 ( -0.364 -1.473 -0.302) 1.547 18.589 ( 0.908 0.441 1.124) 1.511 18.631 ( -0.188 4.060 -4.121) 5.788 18.799 ( 0.701 7.710 6.255) 9.953 18.960 ( 2.031 -3.274 -1.054) 3.995 18.997 ( -0.297 1.594 4.110) 4.418 19.228 ( -4.317 -1.210 -0.814) 4.557 19.266 ( -7.898 1.559 2.572) 8.451 19.270 ( 0.102 2.621 -2.654) 3.731 19.399 ( -2.739 -7.680 -2.006) 8.397 19.542 ( 3.440 0.227 -0.378) 3.468 19.645 ( 5.836 -2.219 -0.282) 6.250 19.827 ( -2.412 1.628 -6.755) 7.356 19.892 ( -6.629 0.577 -5.111) 8.390 20.055 ( 4.308 1.911 7.619) 8.959 20.257 ( -3.904 0.949 -3.844) 5.560 20.336 ( 1.707 -4.937 -3.885) 6.510 20.356 ( 4.571 -1.132 -0.492) 4.735 20.444 ( -3.596 -6.916 1.696) 7.977 20.508 ( 7.366 -12.031 4.674) 14.861 20.961 ( -3.167 5.359 -9.116) 11.039 21.216 ( 0.872 -7.377 2.895) 7.973 22.369 ( -1.070 -0.357 -0.450) 1.215 22.388 ( -0.689 -1.264 -0.721) 1.610 22.422 ( -0.357 0.549 -0.819) 1.049 22.470 ( 0.147 -1.757 -0.503) 1.834 22.926 ( 0.044 3.155 -0.066) 3.156 22.938 ( 0.363 3.148 0.119) 3.171 23.048 ( -0.188 -2.780 -0.348) 2.808 23.057 ( 0.107 -2.632 -0.164) 2.640 24.238 ( 2.659 10.380 -3.514) 11.277 24.317 ( 1.050 10.933 5.886) 12.461 24.706 ( -1.432 0.376 -4.314) 4.561 24.998 ( 4.275 -10.433 5.222) 12.425 25.644 ( -11.318 10.402 -4.438) 16.000 25.711 ( -12.574 14.332 -4.187) 19.520 25.889 ( 1.698 6.473 3.545) 7.573 26.174 ( -4.408 -0.616 -5.776) 7.292 26.669 ( 15.593 9.728 -3.823) 18.772 26.868 ( 4.816 3.934 14.300) 15.593 27.179 ( 4.060 -4.768 -7.387) 9.684 27.242 ( 0.261 3.866 -0.735) 3.944 27.345 ( -1.035 13.487 0.500) 13.536 27.522 ( 1.785 8.059 3.491) 8.962 28.241 ( 0.587 -17.143 2.788) 17.379 28.294 ( 4.542 -14.079 -0.006) 14.793 28.481 ( -4.540 9.759 2.209) 10.987 28.674 ( 5.498 0.464 0.443) 5.536 28.729 ( -5.371 -3.928 0.360) 6.664 28.872 ( 3.915 -8.047 -8.658) 12.452 29.027 ( -0.926 -6.953 -1.575) 7.189 29.073 ( 0.518 -5.150 -0.540) 5.204 29.180 ( -2.286 -1.960 -4.031) 5.031 29.256 ( -3.106 -4.421 3.448) 6.410 30.516 ( -3.451 15.127 0.851) 15.539 30.750 ( 5.950 19.325 -0.363) 20.223 30.975 ( -2.519 -7.398 -1.739) 8.006 31.208 ( 2.342 -5.812 8.359) 10.447 31.497 ( 0.111 2.975 -0.777) 3.076 31.637 ( 3.167 -1.147 0.264) 3.378 32.129 ( -8.984 3.961 -8.669) 13.098 32.328 ( -3.041 -6.145 -4.897) 8.426 32.579 ( 0.209 -0.166 -4.206) 4.215 32.742 ( 0.540 1.403 5.402) 5.607 32.763 ( -0.703 -2.900 4.340) 5.267 32.887 ( 2.158 -4.368 3.833) 6.199 33.922 ( -4.970 0.308 9.017) 10.301 33.939 ( 3.892 -0.517 -7.654) 8.602 34.085 ( -0.119 -2.706 3.262) 4.239 34.149 ( 4.479 -4.732 -1.238) 6.632 37.647 ( -0.531 2.076 -1.645) 2.701 37.721 ( 0.629 -0.519 1.426) 1.643 37.930 ( 0.547 0.023 -3.668) 3.709 38.007 ( -0.730 -2.788 4.223) 5.113 39.141 ( -0.616 9.895 -0.093) 9.914 39.162 ( 0.611 9.266 -1.056) 9.346 39.284 ( 0.051 4.529 1.260) 4.702 39.382 ( -2.133 0.766 -0.518) 2.324 39.435 ( 2.750 2.744 0.351) 3.900 39.477 ( 2.495 3.436 1.783) 4.606 39.580 ( 1.635 -0.754 0.875) 2.002 39.618 ( 3.583 -3.764 -2.267) 5.670 39.756 ( -1.218 -3.639 -3.397) 5.125 39.805 ( -5.443 -3.108 -4.933) 7.977 39.943 ( 0.217 -1.404 2.597) 2.960 40.159 ( -0.207 -6.360 4.633) 7.872 40.355 ( 2.832 2.361 -1.386) 3.939 40.548 ( 6.090 -7.963 8.682) 13.262 40.802 ( -6.161 0.935 -0.022) 6.232 41.001 ( 2.835 -9.303 6.773) 11.852 41.636 ( -2.560 0.600 -0.011) 2.629 41.978 ( 8.517 8.389 5.348) 13.096 42.079 ( -7.630 -17.246 -4.667) 19.428 42.425 ( 4.341 -10.427 4.913) 12.317 42.974 ( -12.340 7.105 -5.173) 15.150 43.144 ( -6.001 0.888 -1.426) 6.232 43.459 ( -3.742 2.992 1.961) 5.177 43.593 ( 6.785 -1.928 -6.629) 9.680 44.002 ( -2.762 5.428 0.126) 6.092 44.053 ( -0.050 2.547 2.637) 3.667 44.683 ( -4.091 1.897 -8.817) 9.903 44.740 ( -4.468 0.096 -4.470) 6.321 ======================= Grid point 152 (75/80) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -8.438 5.073 0.877) 9.885 1.249 ( -16.767 -1.532 9.449) 19.307 1.834 ( -0.851 8.339 3.230) 8.983 2.021 ( -8.262 2.018 -0.341) 8.511 2.227 ( 2.710 20.627 -5.329) 21.476 2.573 ( -0.997 0.590 3.330) 3.526 2.665 ( -6.042 5.987 -5.749) 10.266 2.745 ( -4.891 -0.039 -3.077) 5.779 2.839 ( 5.473 0.732 -5.535) 7.818 3.078 ( -12.576 4.034 -4.873) 14.078 3.144 ( 1.763 11.929 1.280) 12.126 3.293 ( 1.601 3.758 3.300) 5.251 3.426 ( -6.778 7.523 -5.388) 11.470 3.565 ( -2.921 3.940 -7.478) 8.943 3.654 ( 4.831 -2.565 2.744) 6.120 3.730 ( 2.925 -3.989 2.873) 5.720 3.877 ( 2.900 4.113 1.508) 5.254 4.154 ( 1.401 -0.997 0.200) 1.731 4.228 ( 6.519 14.731 -9.676) 18.792 4.363 ( -9.156 0.500 3.723) 9.896 4.506 ( -2.163 -4.003 6.797) 8.179 4.657 ( 5.211 -6.553 -6.307) 10.482 4.751 ( -2.241 -0.260 -6.102) 6.506 4.848 ( -0.531 -4.840 1.295) 5.038 4.928 ( -0.691 -6.048 -6.456) 8.873 5.063 ( 4.654 -3.489 4.936) 7.628 5.134 ( -3.376 0.589 0.610) 3.481 5.296 ( -0.947 -8.077 -7.206) 10.866 5.373 ( -4.300 -0.345 5.050) 6.641 5.511 ( -3.417 -5.584 -4.032) 7.689 5.741 ( 7.628 8.048 6.107) 12.660 5.837 ( 5.217 3.155 1.534) 6.287 6.034 ( 5.561 1.776 4.207) 7.196 6.125 ( -0.698 5.365 6.399) 8.380 6.285 ( 10.519 9.664 -14.239) 20.169 6.408 ( 3.089 2.871 -6.480) 7.731 6.488 ( -7.451 -1.423 16.537) 18.194 6.583 ( -3.129 -1.109 12.105) 12.552 6.682 ( 0.058 11.667 0.808) 11.695 6.869 ( -6.942 1.442 -1.403) 7.227 6.916 ( 1.833 12.069 4.945) 13.171 7.083 ( 1.675 3.084 -2.271) 4.181 7.293 ( -4.495 3.636 3.136) 6.577 7.378 ( -5.596 -1.536 -0.631) 5.837 7.597 ( -4.985 5.693 -5.873) 9.579 7.610 ( -6.158 -11.333 -2.497) 13.138 8.022 ( 9.910 6.973 1.583) 12.220 8.117 ( 1.140 -9.763 14.156) 17.234 8.232 ( 2.062 -0.766 1.456) 2.638 8.262 ( 1.767 -2.024 3.575) 4.472 8.454 ( 2.436 -4.997 -0.354) 5.570 8.490 ( -3.443 0.892 -5.670) 6.693 8.616 ( -0.506 -10.249 5.140) 11.477 8.699 ( -3.945 0.248 -9.139) 9.957 8.822 ( -3.434 -10.116 -1.325) 10.764 8.875 ( -2.828 -6.787 -5.026) 8.906 9.334 ( 2.611 4.628 -0.232) 5.319 9.413 ( -2.086 7.583 -5.215) 9.436 9.565 ( 5.256 5.893 0.440) 7.908 9.615 ( 4.467 4.879 0.252) 6.619 10.014 ( -2.265 -4.452 0.780) 5.056 10.113 ( 0.613 -4.028 0.088) 4.075 10.212 ( -0.211 -7.177 0.952) 7.243 10.369 ( -6.233 -9.582 -8.853) 14.458 11.096 ( 2.765 4.094 2.690) 5.625 11.261 ( 0.024 2.090 -0.876) 2.267 11.285 ( 2.949 0.613 -0.245) 3.022 11.363 ( -3.635 -8.368 1.188) 9.201 11.850 ( 2.764 2.606 1.358) 4.034 12.019 ( -3.376 1.145 1.279) 3.787 12.084 ( 5.285 -7.120 0.500) 8.881 12.204 ( -0.689 -10.069 2.967) 10.520 12.919 ( 0.429 3.600 0.567) 3.670 13.026 ( -0.228 2.163 -3.354) 3.998 13.111 ( -1.776 -6.877 0.155) 7.105 13.186 ( -0.447 -6.552 -4.232) 7.813 13.585 ( -1.491 1.226 0.655) 2.038 13.655 ( -2.859 -1.810 -0.832) 3.484 13.916 ( 2.492 2.214 2.084) 3.931 13.935 ( 0.613 1.537 3.466) 3.841 14.457 ( 3.036 8.343 0.452) 8.890 14.557 ( -0.915 10.217 -3.427) 10.815 14.926 ( 4.372 1.249 7.359) 8.650 14.955 ( 0.176 -0.222 1.349) 1.379 15.017 ( -0.598 -5.267 0.014) 5.300 15.316 ( -1.866 4.794 -4.601) 6.902 15.597 ( 4.276 0.875 7.080) 8.318 15.811 ( 1.183 -5.046 -1.215) 5.324 16.101 ( 0.232 1.326 0.305) 1.380 16.210 ( -2.105 3.602 1.266) 4.360 16.428 ( -5.358 -9.806 -12.971) 17.120 16.514 ( -5.538 -4.419 -16.238) 17.716 17.038 ( 9.875 11.504 18.363) 23.813 17.164 ( 11.538 7.140 13.789) 19.346 17.449 ( 1.968 1.974 -1.798) 3.316 17.491 ( 5.063 15.086 11.078) 19.389 17.734 ( -1.585 13.469 -9.418) 16.512 17.988 ( -3.181 -0.319 -6.847) 7.557 18.068 ( -2.794 -4.832 -2.156) 5.984 18.140 ( -1.326 -3.797 3.280) 5.189 18.429 ( 1.103 -0.319 0.226) 1.170 18.494 ( 0.761 -10.604 1.484) 10.735 18.547 ( -1.614 -3.556 0.908) 4.009 18.572 ( -1.029 -1.359 -3.276) 3.693 18.750 ( 6.642 -11.555 12.895) 18.545 18.821 ( -0.436 5.975 0.928) 6.062 18.920 ( -5.361 -0.262 -0.171) 5.370 19.043 ( -0.298 0.037 -1.423) 1.454 19.179 ( 0.735 0.514 1.290) 1.571 19.223 ( -0.897 -1.588 2.587) 3.166 19.271 ( 2.887 1.466 -1.560) 3.594 19.342 ( -1.812 -7.168 -0.092) 7.394 19.569 ( 0.767 -0.223 -1.831) 1.998 19.687 ( -2.571 -1.873 -1.561) 3.543 19.787 ( 3.962 1.241 -0.525) 4.185 19.799 ( -0.248 3.386 -4.624) 5.736 20.105 ( -5.363 0.463 -1.729) 5.654 20.183 ( 3.065 -3.863 2.463) 5.512 20.292 ( -1.674 -7.389 -4.171) 8.648 20.358 ( -7.401 -8.491 3.143) 11.694 20.477 ( 8.175 2.129 2.672) 8.860 20.730 ( 13.353 -11.911 0.278) 17.895 20.839 ( -3.370 5.075 -7.120) 9.371 21.165 ( -7.190 -11.660 -1.908) 13.831 22.352 ( -0.517 -0.611 0.380) 0.886 22.376 ( -0.203 -2.110 -0.573) 2.195 22.412 ( -0.010 0.035 -0.757) 0.758 22.450 ( -1.111 -2.157 -1.414) 2.808 22.930 ( 0.423 2.895 0.062) 2.926 22.942 ( 0.022 2.910 -0.020) 2.910 23.045 ( 0.058 -2.566 0.029) 2.567 23.055 ( 0.005 -2.482 -0.425) 2.518 24.286 ( 5.757 7.987 -2.358) 10.125 24.380 ( -0.133 5.224 5.409) 7.521 24.718 ( 3.915 12.648 1.385) 13.312 25.011 ( -4.087 0.987 -3.444) 5.435 25.411 ( -4.566 6.389 -7.926) 11.158 25.545 ( -13.487 2.304 8.429) 16.071 25.930 ( -0.545 -2.606 4.374) 5.120 26.037 ( 0.359 -4.835 -10.437) 11.509 26.885 ( 9.046 10.361 0.538) 13.764 27.069 ( 7.482 19.553 9.778) 23.106 27.184 ( -2.506 9.817 -5.076) 11.333 27.257 ( 6.539 -1.493 -3.893) 7.755 27.360 ( 2.174 9.091 -0.374) 9.355 27.519 ( -4.812 5.493 2.951) 7.877 28.290 ( 2.070 -15.589 1.930) 15.844 28.348 ( 1.643 -13.492 -2.260) 13.778 28.477 ( -1.929 5.601 10.846) 12.358 28.650 ( 0.169 -1.400 -5.436) 5.615 28.761 ( 3.420 -5.207 -3.400) 7.098 28.815 ( -2.423 -4.665 -3.331) 6.223 29.013 ( 3.627 -6.009 -6.506) 9.570 29.074 ( -1.022 -1.574 1.160) 2.206 29.125 ( -1.552 -6.952 0.381) 7.134 29.210 ( -4.309 -6.276 1.446) 7.749 30.518 ( 1.136 11.373 3.664) 12.002 30.726 ( -3.042 9.085 -6.848) 11.777 31.040 ( 4.868 0.807 7.834) 9.258 31.269 ( -1.528 -6.191 2.386) 6.808 31.559 ( 6.413 -1.522 -0.400) 6.604 31.648 ( -1.692 -2.390 1.307) 3.207 31.936 ( -4.529 6.946 -4.882) 9.622 32.172 ( -7.439 -5.190 -8.651) 12.535 32.615 ( 6.498 1.830 -1.467) 6.908 32.768 ( 0.190 -0.593 0.996) 1.174 32.799 ( -2.208 0.047 6.808) 7.157 32.907 ( -2.621 -3.940 1.587) 4.991 33.918 ( -3.174 0.217 6.043) 6.829 33.932 ( 2.055 -0.273 -5.473) 5.853 34.140 ( 0.882 -0.643 6.628) 6.717 34.203 ( 3.708 -3.196 -3.515) 6.026 37.641 ( 1.151 3.567 -0.844) 3.842 37.713 ( -2.119 2.256 0.011) 3.095 37.940 ( 3.418 -3.368 -2.315) 5.328 38.013 ( -2.519 -4.771 3.582) 6.476 39.131 ( -0.384 9.124 0.182) 9.134 39.155 ( -0.176 9.495 -1.256) 9.579 39.315 ( 2.398 2.198 -1.666) 3.654 39.350 ( -1.867 2.299 2.750) 4.041 39.443 ( -0.309 5.821 2.212) 6.235 39.553 ( 3.378 3.126 -1.988) 5.013 39.599 ( -1.854 0.320 -2.027) 2.766 39.632 ( -0.164 -2.375 -3.869) 4.543 39.703 ( 2.435 0.297 -1.006) 2.652 39.762 ( 2.022 -4.994 0.769) 5.442 39.986 ( 1.666 3.237 2.831) 4.612 40.136 ( -3.809 0.615 1.395) 4.103 40.426 ( 3.986 -1.432 0.784) 4.308 40.634 ( -8.175 2.620 2.667) 8.989 40.796 ( 7.551 -17.262 8.366) 20.615 41.088 ( -0.031 -15.928 3.854) 16.387 41.698 ( 5.277 -1.240 7.809) 9.506 41.957 ( -0.160 -12.755 -2.982) 13.100 42.098 ( -0.689 5.319 2.257) 5.819 42.434 ( -7.772 -10.244 -2.933) 13.189 42.768 ( -1.521 14.079 -4.097) 14.742 43.020 ( -6.661 3.154 -1.633) 7.548 43.377 ( -5.626 2.904 1.972) 6.631 43.541 ( -4.067 -1.624 -9.028) 10.034 44.046 ( 5.646 4.417 5.567) 9.077 44.144 ( 6.665 0.644 5.276) 8.525 44.494 ( -6.194 2.790 -14.033) 15.590 44.572 ( -8.823 -0.034 -6.409) 10.905 ======================= Grid point 153 (76/80) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 3.163 4.450 -8.618) 10.202 1.097 ( -3.163 4.450 8.618) 10.202 1.896 ( -2.095 6.367 -5.711) 8.806 1.896 ( 2.095 6.367 5.711) 8.806 2.386 ( -8.448 22.005 -13.693) 27.260 2.386 ( 8.448 22.005 13.693) 27.260 2.642 ( -0.150 2.564 -6.041) 6.565 2.642 ( 0.150 2.564 6.041) 6.565 2.886 ( 5.209 0.878 -2.946) 6.049 2.886 ( -5.209 0.878 2.946) 6.049 3.223 ( -2.457 14.710 -8.270) 17.053 3.223 ( 2.457 14.710 8.270) 17.053 3.441 ( -2.548 -1.888 -10.309) 10.785 3.441 ( 2.548 -1.888 10.309) 10.785 3.743 ( 1.440 0.872 -6.491) 6.706 3.743 ( -1.440 0.872 6.491) 6.706 4.057 ( -4.940 -1.540 -12.425) 13.460 4.057 ( 4.940 -1.540 12.425) 13.460 4.269 ( 4.333 3.485 -6.052) 8.219 4.269 ( -4.333 3.485 6.052) 8.219 4.548 ( 3.469 -2.034 -13.068) 13.673 4.548 ( -3.469 -2.034 13.068) 13.673 4.832 ( -2.279 -6.409 -9.675) 11.827 4.832 ( 2.279 -6.409 9.675) 11.827 4.976 ( -6.584 -2.072 -7.345) 10.079 4.976 ( 6.584 -2.073 7.345) 10.079 5.193 ( -4.126 -7.809 -4.853) 10.078 5.193 ( 4.126 -7.809 4.853) 10.078 5.405 ( -0.565 -4.155 -7.573) 8.656 5.405 ( 0.565 -4.155 7.573) 8.656 5.881 ( 1.945 4.996 -6.200) 8.197 5.881 ( -1.945 4.996 6.200) 8.197 6.070 ( 3.495 4.413 -2.363) 6.105 6.070 ( -3.495 4.413 2.363) 6.105 6.423 ( 12.592 -0.890 -14.100) 18.925 6.423 ( -12.592 -0.890 14.100) 18.925 6.576 ( 8.059 12.326 -8.152) 16.832 6.576 ( -8.059 12.326 8.152) 16.832 6.716 ( -0.616 0.447 -10.774) 10.801 6.716 ( 0.616 0.447 10.774) 10.800 7.048 ( -2.524 7.428 -7.353) 10.753 7.048 ( 2.524 7.428 7.353) 10.753 7.278 ( -2.542 5.472 -4.906) 7.777 7.278 ( 2.542 5.472 4.906) 7.777 7.507 ( -0.554 -5.205 -4.075) 6.633 7.507 ( 0.554 -5.205 4.075) 6.633 8.187 ( 0.825 -1.508 -3.971) 4.327 8.187 ( -0.825 -1.508 3.971) 4.327 8.292 ( -3.428 2.935 -6.108) 7.594 8.292 ( 3.428 2.935 6.108) 7.594 8.450 ( -1.253 3.078 -7.488) 8.192 8.450 ( 1.253 3.078 7.488) 8.192 8.572 ( -1.221 -11.194 -7.460) 13.508 8.572 ( 1.221 -11.194 7.460) 13.508 8.828 ( 0.716 -8.268 -4.634) 9.505 8.828 ( -0.716 -8.268 4.634) 9.505 9.352 ( 0.400 3.510 -3.371) 4.883 9.352 ( -0.400 3.510 3.371) 4.883 9.661 ( 0.302 4.873 -3.139) 5.805 9.661 ( -0.302 4.873 3.139) 5.805 10.046 ( -2.731 -5.255 -6.465) 8.768 10.046 ( 2.731 -5.255 6.465) 8.768 10.241 ( -0.707 -10.319 -6.536) 12.235 10.241 ( 0.707 -10.319 6.536) 12.235 11.189 ( -4.209 2.298 -3.631) 6.015 11.189 ( 4.209 2.298 3.631) 6.015 11.327 ( 2.006 -3.447 -1.528) 4.271 11.327 ( -2.006 -3.447 1.528) 4.271 11.940 ( -4.413 2.872 -2.089) 5.665 11.940 ( 4.413 2.872 2.089) 5.665 12.173 ( -3.038 -8.757 -0.492) 9.283 12.173 ( 3.038 -8.757 0.492) 9.283 12.964 ( -2.192 2.001 -3.688) 4.734 12.964 ( 2.192 2.001 3.688) 4.734 13.133 ( -1.440 -5.413 -3.399) 6.552 13.133 ( 1.440 -5.413 3.399) 6.552 13.600 ( -1.782 -0.817 -1.531) 2.488 13.600 ( 1.782 -0.817 1.531) 2.488 13.952 ( 1.019 2.354 -0.885) 2.714 13.952 ( -1.019 2.354 0.885) 2.714 14.510 ( 0.434 8.025 -3.771) 8.877 14.510 ( -0.434 8.025 3.771) 8.877 14.963 ( -0.379 -7.640 -1.573) 7.809 14.963 ( 0.379 -7.640 1.573) 7.809 15.156 ( -6.899 11.603 -10.443) 17.067 15.156 ( 6.899 11.603 10.443) 17.067 15.757 ( -4.563 -3.123 -6.288) 8.373 15.757 ( 4.563 -3.123 6.288) 8.373 16.152 ( -0.223 -2.670 -6.874) 7.378 16.152 ( 0.223 -2.670 6.874) 7.378 16.344 ( -2.226 -7.120 -4.260) 8.590 16.344 ( 2.226 -7.120 4.260) 8.590 17.327 ( -4.709 9.294 -14.905) 18.186 17.327 ( 4.709 9.294 14.905) 18.186 17.508 ( -9.822 13.610 -17.068) 23.938 17.508 ( 9.822 13.610 17.068) 23.938 17.747 ( -9.254 10.289 -14.177) 19.811 17.747 ( 9.254 10.289 14.177) 19.811 18.108 ( -0.937 -4.987 -2.773) 5.782 18.108 ( 0.937 -4.987 2.773) 5.782 18.456 ( -0.295 -2.478 -5.599) 6.130 18.456 ( 0.295 -2.478 5.599) 6.130 18.556 ( 0.049 -5.650 -1.971) 5.984 18.556 ( -0.049 -5.650 1.971) 5.984 18.836 ( 1.691 4.126 -5.057) 6.742 18.836 ( -1.691 4.126 5.057) 6.742 18.949 ( 0.841 -6.845 -15.876) 17.309 18.949 ( -0.841 -6.845 15.876) 17.309 19.215 ( -1.049 -0.925 -0.898) 1.662 19.215 ( 1.049 -0.925 0.898) 1.662 19.326 ( 0.086 -6.815 -4.079) 7.943 19.326 ( -0.086 -6.815 4.079) 7.943 19.603 ( -3.440 4.226 -3.539) 6.498 19.603 ( 3.440 4.226 3.539) 6.498 19.792 ( 0.734 4.541 -1.920) 4.985 19.792 ( -0.734 4.541 1.920) 4.985 20.141 ( -5.094 -7.873 -5.688) 10.967 20.141 ( 5.094 -7.873 5.688) 10.967 20.281 ( 1.292 -7.945 -1.665) 8.220 20.281 ( -1.292 -7.945 1.665) 8.220 20.669 ( -6.810 2.844 -8.971) 11.616 20.669 ( 6.810 2.844 8.971) 11.616 20.972 ( -10.476 -11.467 -3.731) 15.974 20.972 ( 10.476 -11.467 3.731) 15.974 22.361 ( -0.490 -1.254 -1.209) 1.809 22.361 ( 0.490 -1.254 1.209) 1.809 22.421 ( -0.945 -1.628 -0.845) 2.063 22.421 ( 0.945 -1.628 0.845) 2.063 22.939 ( 0.296 2.778 -0.826) 2.914 22.939 ( -0.296 2.778 0.826) 2.914 23.050 ( 0.381 -2.457 -1.126) 2.730 23.050 ( -0.381 -2.457 1.126) 2.730 24.369 ( 4.897 5.216 -3.241) 7.854 24.369 ( -4.897 5.216 3.241) 7.854 24.852 ( -7.017 13.672 -6.101) 16.534 24.852 ( 7.017 13.672 6.101) 16.534 25.396 ( 9.199 -1.633 -6.713) 11.505 25.396 ( -9.199 -1.633 6.713) 11.505 25.978 ( 3.166 -6.144 -10.582) 12.639 25.978 ( -3.166 -6.144 10.582) 12.639 27.036 ( -4.690 18.983 -5.538) 20.323 27.036 ( 4.690 18.983 5.538) 20.323 27.257 ( -0.201 7.702 -6.360) 9.990 27.257 ( 0.201 7.702 6.360) 9.990 27.430 ( 6.727 3.337 -4.675) 8.846 27.430 ( -6.727 3.337 4.675) 8.846 28.330 ( 1.001 -11.902 -3.980) 12.589 28.330 ( -1.001 -11.902 3.980) 12.589 28.575 ( 1.306 -0.287 -15.647) 15.705 28.575 ( -1.306 -0.287 15.647) 15.705 28.772 ( 4.686 -5.863 -11.529) 13.756 28.772 ( -4.686 -5.863 11.529) 13.756 29.042 ( 4.939 -2.360 -4.936) 7.370 29.042 ( -4.939 -2.360 4.936) 7.370 29.149 ( -0.175 -8.116 -2.448) 8.479 29.149 ( 0.175 -8.116 2.448) 8.479 30.605 ( -3.626 8.573 -5.951) 11.048 30.605 ( 3.626 8.573 5.951) 11.048 31.193 ( -4.441 -3.716 -6.787) 8.922 31.193 ( 4.441 -3.716 6.787) 8.922 31.627 ( 4.789 0.283 -5.702) 7.452 31.627 ( -4.789 0.283 5.702) 7.452 31.969 ( -6.181 -0.307 -6.595) 9.044 31.969 ( 6.181 -0.307 6.595) 9.044 32.725 ( 3.859 2.485 -5.439) 7.117 32.725 ( -3.859 2.485 5.439) 7.117 32.847 ( 1.007 -3.302 -5.290) 6.316 32.847 ( -1.007 -3.302 5.290) 6.316 33.921 ( 2.570 0.121 -5.834) 6.377 33.921 ( -2.570 0.121 5.834) 6.377 34.201 ( 1.787 -1.209 -7.370) 7.679 34.201 ( -1.787 -1.209 7.370) 7.679 37.669 ( -0.759 3.938 -1.238) 4.197 37.669 ( 0.759 3.938 1.238) 4.197 37.985 ( 3.183 -5.342 -3.315) 7.047 37.985 ( -3.183 -5.342 3.315) 7.047 39.137 ( -0.424 8.855 -1.073) 8.930 39.137 ( 0.424 8.855 1.073) 8.930 39.337 ( 2.087 1.830 -3.326) 4.332 39.337 ( -2.087 1.830 3.326) 4.332 39.500 ( -1.840 5.763 -6.578) 8.937 39.500 ( 1.840 5.763 6.578) 8.937 39.592 ( -0.798 -0.641 -2.075) 2.314 39.592 ( 0.798 -0.641 2.075) 2.314 39.771 ( -2.624 -0.426 -0.052) 2.659 39.771 ( 2.624 -0.426 0.052) 2.659 40.063 ( -2.243 1.876 -2.931) 4.140 40.063 ( 2.243 1.876 2.931) 4.140 40.507 ( -6.394 1.166 0.627) 6.530 40.507 ( 6.394 1.166 -0.627) 6.530 41.010 ( -7.791 -21.855 -5.452) 23.834 41.010 ( 7.791 -21.855 5.452) 23.834 41.893 ( -5.200 0.645 -11.304) 12.459 41.893 ( 5.200 0.645 11.304) 12.459 42.175 ( -9.661 -6.375 -9.356) 14.883 42.175 ( 9.661 -6.375 9.356) 14.883 42.863 ( -6.603 10.685 -4.552) 13.360 42.863 ( 6.603 10.685 4.552) 13.360 43.392 ( -2.766 -1.036 -7.367) 7.937 43.392 ( 2.766 -1.036 7.367) 7.937 44.239 ( -2.817 3.931 -13.296) 14.148 44.239 ( 2.817 3.931 13.296) 14.148 44.359 ( -2.628 -0.336 -9.354) 9.722 44.359 ( 2.628 -0.336 9.354) 9.722 ======================= Grid point 157 (77/80) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.000 0.000 0.000) 0.000 1.551 ( -0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 2.687 ( -0.000 0.000 -0.000) 0.000 2.687 ( -0.000 0.000 -0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.009 ( -0.000 0.000 0.000) 0.000 3.267 ( -0.000 0.000 0.000) 0.000 3.267 ( -0.000 0.000 0.000) 0.000 3.441 ( -0.000 0.000 0.000) 0.000 3.441 ( -0.000 0.000 0.000) 0.000 3.587 ( -0.000 0.000 0.000) 0.000 3.587 ( -0.000 0.000 0.000) 0.000 4.098 ( -0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.421 ( -0.000 0.000 -0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 -0.000) 0.000 4.709 ( -0.000 0.000 0.000) 0.000 4.957 ( 0.000 -0.000 -0.000) 0.000 4.957 ( -0.000 -0.000 0.000) 0.000 4.958 ( 0.000 0.000 -0.000) 0.000 4.958 ( -0.000 0.000 0.000) 0.000 5.097 ( -0.000 0.000 0.000) 0.000 5.097 ( -0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 -0.000) 0.000 5.520 ( -0.000 -0.000 0.000) 0.000 5.668 ( -0.000 0.000 -0.000) 0.000 5.668 ( -0.000 0.000 0.000) 0.000 5.946 ( -0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.676 ( 0.000 -0.000 -0.000) 0.000 6.676 ( 0.000 -0.000 0.000) 0.000 6.699 ( 0.000 0.000 -0.000) 0.000 6.699 ( -0.000 0.000 0.000) 0.000 7.309 ( -0.000 -0.000 0.000) 0.000 7.309 ( -0.000 0.000 0.000) 0.000 7.478 ( 0.000 -0.000 -0.000) 0.000 7.478 ( -0.000 -0.000 0.000) 0.000 7.521 ( 0.000 0.000 -0.000) 0.000 7.521 ( -0.000 0.000 0.000) 0.000 7.877 ( -0.000 0.000 0.000) 0.000 7.877 ( 0.000 0.000 0.000) 0.000 8.210 ( -0.000 -0.000 -0.000) 0.000 8.210 ( -0.000 0.000 -0.000) 0.000 8.220 ( 0.000 -0.000 0.000) 0.000 8.220 ( 0.000 0.000 0.000) 0.000 8.730 ( -0.000 0.000 0.000) 0.000 8.730 ( -0.000 0.000 0.000) 0.000 8.993 ( -0.000 0.000 0.000) 0.000 8.993 ( -0.000 0.000 0.000) 0.000 9.469 ( -0.000 -0.000 0.000) 0.000 9.469 ( 0.000 -0.000 -0.000) 0.000 9.475 ( -0.000 0.000 0.000) 0.000 9.475 ( 0.000 0.000 -0.000) 0.000 10.078 ( -0.000 0.000 0.000) 0.000 10.078 ( -0.000 0.000 0.000) 0.000 10.495 ( -0.000 0.000 0.000) 0.000 10.495 ( -0.000 0.000 0.000) 0.000 11.119 ( 0.000 0.000 0.000) 0.000 11.119 ( 0.000 0.000 0.000) 0.000 11.264 ( 0.000 0.000 0.000) 0.000 11.264 ( -0.000 0.000 0.000) 0.000 11.864 ( -0.000 0.000 0.000) 0.000 11.864 ( -0.000 0.000 0.000) 0.000 12.025 ( 0.000 0.000 0.000) 0.000 12.025 ( 0.000 0.000 0.000) 0.000 12.984 ( -0.000 0.000 0.000) 0.000 12.984 ( 0.000 0.000 0.000) 0.000 13.188 ( -0.000 0.000 0.000) 0.000 13.188 ( -0.000 0.000 0.000) 0.000 13.712 ( -0.000 0.000 0.000) 0.000 13.712 ( -0.000 0.000 0.000) 0.000 13.811 ( -0.000 0.000 0.000) 0.000 13.811 ( 0.000 0.000 0.000) 0.000 14.764 ( -0.000 -0.000 -0.000) 0.000 14.764 ( 0.000 -0.000 0.000) 0.000 14.777 ( -0.000 0.000 -0.000) 0.000 14.777 ( 0.000 0.000 0.000) 0.000 14.998 ( -0.000 0.000 0.000) 0.000 14.998 ( -0.000 0.000 0.000) 0.000 15.725 ( -0.000 0.000 0.000) 0.000 15.725 ( -0.000 0.000 0.000) 0.000 16.272 ( -0.000 0.000 0.000) 0.000 16.272 ( -0.000 0.000 0.000) 0.000 16.698 ( 0.000 0.000 -0.000) 0.000 16.698 ( 0.000 0.000 0.000) 0.000 17.072 ( -0.000 0.000 -0.000) 0.000 17.072 ( 0.000 0.000 0.000) 0.000 17.261 ( -0.000 0.000 0.000) 0.000 17.261 ( 0.000 0.000 0.000) 0.000 17.523 ( -0.000 0.000 0.000) 0.000 17.523 ( -0.000 0.000 0.000) 0.000 18.134 ( 0.000 0.000 0.000) 0.000 18.134 ( -0.000 0.000 0.000) 0.000 18.254 ( -0.000 0.000 0.000) 0.000 18.254 ( -0.000 0.000 0.000) 0.000 18.594 ( 0.000 0.000 -0.000) 0.000 18.594 ( -0.000 0.000 0.000) 0.000 18.818 ( -0.000 -0.000 -0.000) 0.000 18.818 ( 0.000 0.000 0.000) 0.000 18.948 ( 0.000 0.000 0.000) 0.000 18.948 ( -0.000 0.000 0.000) 0.000 19.298 ( 0.000 -0.000 -0.000) 0.000 19.298 ( 0.000 0.000 -0.000) 0.000 19.300 ( -0.000 -0.000 0.000) 0.000 19.300 ( -0.000 0.000 0.000) 0.000 19.601 ( 0.000 0.000 0.000) 0.000 19.601 ( -0.000 0.000 0.000) 0.000 19.943 ( -0.000 0.000 0.000) 0.000 19.943 ( 0.000 0.000 0.000) 0.000 20.068 ( -0.000 0.000 0.000) 0.000 20.068 ( -0.000 0.000 0.000) 0.000 20.321 ( 0.000 0.000 0.000) 0.000 20.321 ( -0.000 0.000 0.000) 0.000 20.394 ( 0.000 0.000 0.000) 0.000 20.394 ( -0.000 0.000 0.000) 0.000 21.107 ( -0.000 0.000 0.000) 0.000 21.107 ( -0.000 0.000 0.000) 0.000 22.390 ( -0.000 0.000 0.000) 0.000 22.390 ( 0.000 0.000 0.000) 0.000 22.441 ( -0.000 0.000 0.000) 0.000 22.441 ( 0.000 0.000 0.000) 0.000 22.994 ( 0.000 0.000 -0.000) 0.000 22.994 ( -0.000 0.000 0.000) 0.000 22.995 ( 0.000 -0.000 -0.000) 0.000 22.995 ( -0.000 -0.000 0.000) 0.000 24.402 ( -0.000 -0.000 0.000) 0.000 24.402 ( 0.000 0.000 0.000) 0.000 24.724 ( -0.000 0.000 0.000) 0.000 24.724 ( 0.000 0.000 0.000) 0.000 25.884 ( -0.000 0.000 0.000) 0.000 25.884 ( -0.000 0.000 0.000) 0.000 26.246 ( -0.000 0.000 -0.000) 0.000 26.246 ( 0.000 0.000 0.000) 0.000 26.670 ( -0.000 0.000 -0.000) 0.000 26.670 ( -0.000 0.000 0.000) 0.000 27.126 ( -0.000 0.000 0.000) 0.000 27.126 ( -0.000 0.000 0.000) 0.000 27.638 ( -0.000 -0.000 0.000) 0.000 27.638 ( 0.000 0.000 0.000) 0.000 27.990 ( -0.000 0.000 0.000) 0.000 27.990 ( -0.000 0.000 0.000) 0.000 28.665 ( 0.000 0.000 -0.000) 0.000 28.665 ( -0.000 0.000 0.000) 0.000 28.738 ( 0.000 0.000 0.000) 0.000 28.738 ( -0.000 0.000 0.000) 0.000 28.982 ( 0.000 0.000 0.000) 0.000 28.982 ( 0.000 0.000 0.000) 0.000 29.224 ( 0.000 0.000 -0.000) 0.000 29.224 ( -0.000 0.000 0.000) 0.000 30.904 ( -0.000 -0.000 -0.000) 0.000 30.904 ( -0.000 0.000 -0.000) 0.000 30.910 ( 0.000 -0.000 0.000) 0.000 30.910 ( 0.000 0.000 0.000) 0.000 31.591 ( 0.000 0.000 0.000) 0.000 31.591 ( -0.000 0.000 0.000) 0.000 32.296 ( -0.000 0.000 0.000) 0.000 32.296 ( -0.000 0.000 0.000) 0.000 32.689 ( -0.000 0.000 -0.000) 0.000 32.689 ( -0.000 0.000 0.000) 0.000 32.717 ( -0.000 0.000 0.000) 0.000 32.717 ( 0.000 -0.000 0.000) 0.000 33.928 ( 0.000 0.000 0.000) 0.000 33.928 ( -0.000 0.000 0.000) 0.000 34.046 ( 0.000 0.000 -0.000) 0.000 34.046 ( -0.000 0.000 0.000) 0.000 37.685 ( 0.000 0.000 0.000) 0.000 37.685 ( -0.000 0.000 0.000) 0.000 37.964 ( 0.000 0.000 0.000) 0.000 37.964 ( -0.000 0.000 0.000) 0.000 39.294 ( -0.000 0.000 0.000) 0.000 39.294 ( -0.000 0.000 0.000) 0.000 39.328 ( -0.000 -0.000 0.000) 0.000 39.328 ( -0.000 0.000 0.000) 0.000 39.457 ( -0.000 0.000 -0.000) 0.000 39.457 ( -0.000 0.000 0.000) 0.000 39.553 ( 0.000 0.000 0.000) 0.000 39.553 ( -0.000 0.000 0.000) 0.000 39.838 ( -0.000 -0.000 -0.000) 0.000 39.838 ( 0.000 0.000 0.000) 0.000 39.897 ( -0.000 0.000 -0.000) 0.000 39.897 ( 0.000 0.000 0.000) 0.000 40.404 ( -0.000 0.000 0.000) 0.000 40.404 ( -0.000 0.000 0.000) 0.000 40.857 ( -0.000 0.000 0.000) 0.000 40.857 ( -0.000 0.000 0.000) 0.000 41.965 ( -0.000 -0.000 -0.000) 0.000 41.965 ( 0.000 -0.000 0.000) 0.000 41.984 ( -0.000 0.000 -0.000) 0.000 41.984 ( 0.000 0.000 0.000) 0.000 43.221 ( -0.000 0.000 0.000) 0.000 43.221 ( -0.000 0.000 0.000) 0.000 43.490 ( -0.000 0.000 0.000) 0.000 43.490 ( 0.000 0.000 0.000) 0.000 44.095 ( 0.000 0.000 0.000) 0.000 44.095 ( -0.000 0.000 0.000) 0.000 44.783 ( 0.000 0.000 0.000) 0.000 44.783 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 161 (78/80) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -15.666 -4.929 3.185) 16.729 1.391 ( -15.666 4.929 3.185) 16.729 1.955 ( 1.362 -7.892 4.102) 8.998 1.955 ( 1.362 7.892 4.102) 8.998 2.561 ( -2.903 -4.525 -3.720) 6.538 2.561 ( -2.903 4.525 -3.720) 6.538 2.797 ( -3.545 -3.169 2.462) 5.354 2.797 ( -3.545 3.169 2.462) 5.354 2.948 ( -1.849 -10.868 1.917) 11.190 2.948 ( -1.849 10.868 1.917) 11.190 3.315 ( 0.630 -3.672 -1.196) 3.913 3.315 ( 0.630 3.672 -1.196) 3.913 3.449 ( 3.872 -0.717 0.515) 3.971 3.449 ( 3.872 0.717 0.515) 3.971 3.629 ( 2.879 -2.541 2.270) 4.460 3.629 ( 2.878 2.541 2.270) 4.460 4.108 ( 1.576 -0.573 -0.364) 1.716 4.108 ( 1.576 0.573 -0.364) 1.716 4.439 ( 1.741 -7.040 -0.937) 7.313 4.439 ( 1.741 7.040 -0.937) 7.313 4.603 ( -7.091 -4.729 -13.216) 15.726 4.603 ( -7.091 4.729 -13.216) 15.726 4.854 ( -3.309 -8.600 -8.184) 12.324 4.854 ( -3.309 8.600 -8.184) 12.324 4.968 ( 0.443 -2.417 0.582) 2.525 4.968 ( 0.443 2.417 0.582) 2.525 5.126 ( 2.428 -4.592 2.374) 5.711 5.126 ( 2.428 4.592 2.374) 5.711 5.521 ( -5.691 -2.926 8.096) 10.319 5.521 ( -5.691 2.926 8.096) 10.319 5.715 ( 6.899 -2.588 -3.948) 8.360 5.715 ( 6.899 2.588 -3.948) 8.360 6.018 ( 5.121 -8.863 3.773) 10.909 6.018 ( 5.121 8.863 3.773) 10.909 6.323 ( 1.849 -1.430 -0.644) 2.425 6.323 ( 1.849 1.430 -0.644) 2.425 6.571 ( -9.764 -5.057 5.817) 12.440 6.571 ( -9.764 5.057 5.817) 12.440 6.800 ( 5.543 -7.259 -0.405) 9.142 6.800 ( 5.543 7.259 -0.405) 9.142 7.314 ( -1.354 -6.001 0.839) 6.209 7.314 ( -1.354 6.001 0.839) 6.209 7.418 ( -2.060 -3.656 -1.200) 4.365 7.418 ( -2.060 3.656 -1.200) 4.365 7.493 ( -4.710 -7.347 4.229) 9.698 7.493 ( -4.710 7.347 4.229) 9.698 7.907 ( 3.710 -13.185 -2.729) 13.966 7.907 ( 3.710 13.185 -2.729) 13.966 8.168 ( 2.055 -11.996 0.767) 12.195 8.168 ( 2.055 11.996 0.767) 12.195 8.345 ( -0.847 -1.907 12.933) 13.100 8.345 ( -0.847 1.907 12.933) 13.100 8.684 ( -1.450 -8.296 -6.060) 10.376 8.684 ( -1.450 8.296 -6.060) 10.376 8.930 ( -3.732 -5.537 -6.622) 9.404 8.930 ( -3.732 5.537 -6.622) 9.404 9.455 ( 0.820 -6.170 1.106) 6.321 9.455 ( 0.820 6.170 1.106) 6.321 9.556 ( 4.977 -4.927 0.611) 7.030 9.556 ( 4.977 4.927 0.611) 7.030 10.042 ( -2.033 -2.544 -2.078) 3.863 10.042 ( -2.033 2.544 -2.078) 3.863 10.391 ( -6.394 -9.100 -8.591) 14.054 10.391 ( -6.394 9.100 -8.591) 14.054 11.166 ( 2.772 -7.740 1.693) 8.394 11.166 ( 2.772 7.740 1.693) 8.394 11.270 ( 0.412 -3.934 1.084) 4.102 11.270 ( 0.412 3.934 1.084) 4.102 11.879 ( 1.439 -4.820 1.445) 5.233 11.879 ( 1.439 4.820 1.445) 5.233 12.051 ( 0.863 -2.389 2.792) 3.774 12.051 ( 0.863 2.389 2.792) 3.774 12.990 ( 0.733 -3.015 -0.046) 3.103 12.990 ( 0.733 3.015 -0.046) 3.103 13.149 ( -1.926 -2.013 -4.117) 4.971 13.149 ( -1.926 2.013 -4.117) 4.971 13.670 ( -2.773 -2.013 -1.037) 3.581 13.670 ( -2.773 2.013 -1.037) 3.581 13.869 ( 2.770 -1.198 3.938) 4.961 13.869 ( 2.770 1.198 3.938) 4.961 14.645 ( -3.688 -9.550 -2.058) 10.442 14.645 ( -3.688 9.550 -2.058) 10.442 14.894 ( 1.727 -7.677 2.073) 8.137 14.894 ( 1.727 7.677 2.073) 8.137 15.041 ( 4.902 -10.688 3.544) 12.281 15.041 ( 4.902 10.688 3.544) 12.281 15.717 ( -0.021 -4.137 -0.981) 4.252 15.717 ( -0.021 4.137 -0.981) 4.252 16.233 ( -3.171 -5.620 -0.970) 6.526 16.233 ( -3.171 5.620 -0.970) 6.526 16.701 ( -5.497 -0.492 -24.510) 25.124 16.701 ( -5.497 0.492 -24.510) 25.124 16.891 ( 5.907 -9.592 12.306) 16.684 16.891 ( 5.907 9.592 12.306) 16.684 17.510 ( 6.000 -15.537 2.803) 16.890 17.510 ( 6.000 15.538 2.803) 16.890 17.648 ( 8.041 -17.150 21.422) 28.595 17.648 ( 8.041 17.150 21.422) 28.595 18.109 ( -1.732 -7.900 -2.484) 8.460 18.109 ( -1.732 7.900 -2.484) 8.460 18.288 ( 2.388 -0.845 2.034) 3.248 18.288 ( 2.388 0.845 2.034) 3.248 18.579 ( 0.027 -0.934 -3.421) 3.546 18.579 ( 0.027 0.934 -3.421) 3.546 18.802 ( -3.334 -9.145 2.973) 10.178 18.802 ( -3.334 9.145 2.973) 10.178 18.981 ( 1.465 -5.836 2.702) 6.596 18.981 ( 1.465 5.836 2.702) 6.596 19.226 ( -4.850 -2.755 0.047) 5.578 19.226 ( -4.850 2.755 0.047) 5.578 19.311 ( 0.104 -1.758 -2.074) 2.721 19.311 ( 0.104 1.758 -2.074) 2.721 19.583 ( -1.084 -4.654 0.372) 4.793 19.583 ( -1.084 4.654 0.372) 4.793 19.879 ( -0.064 -3.007 -8.108) 8.648 19.879 ( -0.064 3.007 -8.108) 8.648 20.158 ( 2.677 -8.423 3.866) 9.647 20.158 ( 2.677 8.423 3.866) 9.647 20.334 ( -4.240 -4.063 -3.293) 6.733 20.334 ( -4.240 4.063 -3.293) 6.733 20.371 ( 5.496 -3.044 2.103) 6.625 20.371 ( 5.496 3.044 2.103) 6.625 21.076 ( -1.303 -6.814 -5.116) 8.620 21.076 ( -1.303 6.814 -5.116) 8.620 22.371 ( -1.194 -0.541 -0.827) 1.549 22.371 ( -1.194 0.541 -0.827) 1.549 22.440 ( -0.161 -1.296 -0.680) 1.472 22.440 ( -0.161 1.296 -0.680) 1.472 22.989 ( -0.082 -3.160 -0.276) 3.173 22.989 ( -0.082 3.160 -0.276) 3.173 23.000 ( 0.225 -3.057 0.032) 3.065 23.000 ( 0.225 3.057 0.032) 3.065 24.384 ( 0.172 -3.886 -2.080) 4.410 24.384 ( 0.172 3.886 -2.080) 4.410 24.795 ( 4.518 -9.398 4.761) 11.463 24.795 ( 4.518 9.398 4.761) 11.463 25.809 ( -10.508 -4.945 1.608) 11.724 25.809 ( -10.508 4.945 1.608) 11.724 26.059 ( -6.996 -10.320 -12.922) 17.956 26.059 ( -6.996 10.320 -12.922) 17.956 26.846 ( 9.482 -7.747 9.682) 15.610 26.846 ( 9.482 7.747 9.682) 15.610 27.182 ( 4.487 -5.444 2.022) 7.339 27.182 ( 4.487 5.444 2.022) 7.339 27.673 ( 4.642 -10.597 -1.080) 11.620 27.673 ( 4.642 10.597 -1.080) 11.620 27.986 ( -0.219 -7.044 -1.082) 7.130 27.986 ( -0.219 7.044 -1.082) 7.130 28.653 ( -2.110 -6.268 2.060) 6.927 28.653 ( -2.110 6.268 2.060) 6.927 28.729 ( 0.157 -5.927 -2.462) 6.420 28.729 ( 0.157 5.927 -2.462) 6.420 28.983 ( 1.815 -2.648 -3.112) 4.471 28.983 ( 1.815 2.648 -3.112) 4.471 29.192 ( -3.432 -2.295 -0.073) 4.129 29.192 ( -3.432 2.295 -0.073) 4.129 30.774 ( -4.310 -11.516 -3.493) 12.782 30.774 ( -4.310 11.516 -3.493) 12.782 31.060 ( 5.052 -10.686 5.882) 13.203 31.060 ( 5.052 10.686 5.882) 13.203 31.574 ( -0.101 -4.652 -2.512) 5.288 31.574 ( -0.101 4.652 -2.512) 5.288 32.219 ( -5.459 -5.309 -4.767) 8.984 32.219 ( -5.459 5.309 -4.767) 8.984 32.642 ( 1.351 -6.285 -3.067) 7.123 32.642 ( 1.351 6.285 -3.067) 7.123 32.811 ( 0.340 -3.569 8.693) 9.403 32.811 ( 0.340 3.569 8.693) 9.403 33.926 ( -0.152 -0.466 -0.122) 0.505 33.926 ( -0.152 0.466 -0.122) 0.505 34.082 ( 2.602 -2.104 2.433) 4.137 34.082 ( 2.602 2.104 2.433) 4.137 37.692 ( 0.822 -2.334 -0.023) 2.475 37.692 ( 0.822 2.334 -0.023) 2.475 37.955 ( -1.079 -2.361 -0.036) 2.596 37.955 ( -1.079 2.361 -0.036) 2.596 39.289 ( 0.369 -4.058 -1.016) 4.199 39.289 ( 0.369 4.058 -1.016) 4.199 39.335 ( -0.426 -6.779 -0.282) 6.798 39.335 ( -0.426 6.779 -0.282) 6.798 39.494 ( 3.727 -3.842 2.553) 5.930 39.494 ( 3.727 3.842 2.553) 5.930 39.564 ( 1.302 -0.850 -0.348) 1.594 39.564 ( 1.302 0.850 -0.348) 1.594 39.739 ( -3.969 -2.407 -4.311) 6.335 39.739 ( -3.969 2.407 -4.311) 6.335 40.003 ( 3.875 -7.801 5.755) 10.440 40.003 ( 3.875 7.801 5.755) 10.440 40.426 ( 1.224 -4.684 2.882) 5.634 40.426 ( 1.224 4.684 2.882) 5.634 40.861 ( -1.245 -5.218 1.915) 5.696 40.861 ( -1.245 5.218 1.915) 5.696 41.771 ( -6.923 -12.910 -2.984) 14.950 41.771 ( -6.923 12.910 -2.984) 14.950 42.190 ( 7.153 -12.664 5.692) 15.619 42.190 ( 7.153 12.664 5.692) 15.619 43.106 ( -8.967 -5.182 -2.082) 10.564 43.106 ( -8.967 5.182 -2.082) 10.564 43.532 ( 2.914 -4.137 -3.312) 6.048 43.532 ( 2.914 4.137 -3.312) 6.048 44.066 ( -2.042 -1.278 1.197) 2.690 44.066 ( -2.042 1.278 1.197) 2.690 44.720 ( -3.770 -1.809 -6.957) 8.117 44.720 ( -3.770 1.809 -6.957) 8.117 ======================= Grid point 163 (79/80) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -10.629 -3.833 6.495) 13.033 1.194 ( -10.629 3.833 6.495) 13.033 1.963 ( -3.449 -5.565 3.138) 7.261 1.963 ( -3.449 5.566 3.138) 7.261 2.554 ( 2.456 -7.471 1.041) 7.933 2.554 ( 2.456 7.471 1.041) 7.933 2.721 ( -2.980 -5.693 -1.884) 6.696 2.721 ( -2.980 5.693 -1.884) 6.696 2.933 ( -3.645 -11.818 3.004) 12.727 2.933 ( -3.645 11.818 3.004) 12.727 3.318 ( 0.719 -3.878 3.589) 5.333 3.318 ( 0.719 3.878 3.589) 5.333 3.505 ( 1.352 -5.152 -3.809) 6.548 3.505 ( 1.352 5.152 -3.809) 6.548 3.704 ( 3.541 -3.430 2.353) 5.462 3.704 ( 3.541 3.430 2.353) 5.462 4.105 ( -1.107 -10.995 -4.917) 12.095 4.105 ( -1.107 10.995 -4.917) 12.095 4.339 ( -6.119 -7.280 -12.339) 15.578 4.339 ( -6.119 7.280 -12.339) 15.578 4.513 ( 6.762 -10.182 1.981) 12.382 4.513 ( 6.762 10.182 1.981) 12.382 4.716 ( -5.109 -2.501 -1.650) 5.922 4.716 ( -5.109 2.501 -1.650) 5.922 4.994 ( -0.937 -6.310 1.189) 6.489 4.994 ( -0.937 6.310 1.189) 6.489 5.156 ( -0.225 -4.166 -4.729) 6.306 5.156 ( -0.225 4.166 -4.729) 6.306 5.428 ( -6.381 -3.106 0.756) 7.137 5.428 ( -6.381 3.106 0.756) 7.137 5.847 ( 8.303 -2.590 -0.276) 8.702 5.847 ( 8.303 2.590 -0.276) 8.702 6.115 ( 2.689 -6.142 3.113) 7.393 6.115 ( 2.689 6.142 3.113) 7.393 6.396 ( 7.443 -3.717 -9.853) 12.896 6.396 ( 7.443 3.717 -9.853) 12.896 6.493 ( -7.210 -3.352 20.541) 22.027 6.493 ( -7.210 3.352 20.541) 22.027 6.824 ( -0.520 -3.791 -4.749) 6.099 6.824 ( -0.520 3.791 -4.749) 6.099 7.266 ( -3.119 -9.867 1.745) 10.495 7.266 ( -3.119 9.867 1.745) 10.495 7.386 ( -6.913 -9.879 0.109) 12.058 7.386 ( -6.913 9.879 0.109) 12.058 7.536 ( 6.122 -33.184 8.992) 34.921 7.536 ( 6.122 33.184 8.992) 34.921 7.899 ( -0.717 -17.917 -8.178) 19.708 7.899 ( -0.717 17.917 -8.178) 19.708 8.259 ( 3.728 -6.471 5.916) 9.527 8.259 ( 3.728 6.471 5.916) 9.527 8.427 ( 0.042 -9.847 12.431) 15.858 8.427 ( 0.042 9.847 12.431) 15.858 8.606 ( -2.674 -9.010 -4.406) 10.380 8.606 ( -2.674 9.010 -4.406) 10.380 8.790 ( -2.021 -5.086 -11.738) 12.951 8.790 ( -2.021 5.086 -11.738) 12.951 9.456 ( -1.616 -4.828 -0.928) 5.176 9.456 ( -1.616 4.828 -0.928) 5.176 9.647 ( 4.286 -2.333 1.140) 5.011 9.647 ( 4.286 2.333 1.140) 5.011 10.015 ( -0.265 -5.533 1.022) 5.633 10.015 ( -0.265 5.533 1.022) 5.633 10.192 ( -5.674 -6.724 -9.988) 13.310 10.192 ( -5.674 6.724 -9.988) 13.310 11.202 ( 0.030 -6.970 1.904) 7.225 11.202 ( 0.030 6.970 1.904) 7.226 11.290 ( 0.877 -0.778 -0.401) 1.239 11.290 ( 0.877 0.778 -0.401) 1.239 11.942 ( 3.779 -6.796 2.307) 8.111 11.942 ( 3.779 6.796 2.307) 8.111 12.072 ( -1.347 -4.326 1.657) 4.824 12.072 ( -1.347 4.326 1.657) 4.824 12.999 ( -0.228 -4.897 0.005) 4.902 12.999 ( -0.228 4.897 0.005) 4.902 13.087 ( -0.342 -4.126 -3.478) 5.407 13.087 ( -0.342 4.126 -3.478) 5.407 13.618 ( -2.461 -1.986 -0.356) 3.182 13.618 ( -2.461 1.986 -0.356) 3.182 13.941 ( 1.895 -0.567 2.933) 3.538 13.941 ( 1.895 0.567 2.933) 3.538 14.612 ( 0.154 -5.870 0.006) 5.872 14.612 ( 0.154 5.870 0.006) 5.872 14.876 ( -1.689 -4.186 -2.237) 5.038 14.876 ( -1.689 4.186 -2.237) 5.038 15.204 ( 6.644 -13.039 7.603) 16.491 15.204 ( 6.644 13.039 7.603) 16.491 15.710 ( -0.952 -6.965 0.064) 7.030 15.710 ( -0.952 6.965 0.064) 7.030 16.172 ( -2.675 -6.781 -0.055) 7.289 16.172 ( -2.675 6.781 -0.055) 7.289 16.383 ( -5.900 -7.833 -19.184) 21.545 16.383 ( -5.900 7.833 -19.184) 21.545 17.214 ( 11.923 -5.367 17.013) 21.457 17.214 ( 11.923 5.367 17.013) 21.457 17.614 ( 6.975 -10.063 -0.927) 12.279 17.614 ( 6.975 10.063 -0.927) 12.279 17.929 ( 4.038 -10.053 13.261) 17.124 17.929 ( 4.038 10.053 13.261) 17.124 18.014 ( -5.958 -9.353 -6.074) 12.644 18.014 ( -5.958 9.353 -6.074) 12.644 18.354 ( 2.279 -1.188 3.228) 4.126 18.354 ( 2.279 1.188 3.228) 4.126 18.552 ( 0.870 -1.574 -3.021) 3.515 18.552 ( 0.870 1.574 -3.021) 3.515 18.768 ( -4.107 -9.831 5.207) 11.859 18.768 ( -4.107 9.831 5.207) 11.859 18.982 ( -2.706 -7.579 -0.857) 8.093 18.982 ( -2.706 7.579 -0.857) 8.093 19.197 ( 0.273 -1.099 1.671) 2.019 19.197 ( 0.273 1.099 1.671) 2.019 19.279 ( -0.926 -0.423 -2.796) 2.975 19.279 ( -0.926 0.423 -2.796) 2.975 19.605 ( 2.617 -4.537 2.172) 5.670 19.605 ( 2.617 4.537 2.172) 5.670 19.834 ( 1.766 -1.865 -4.463) 5.149 19.834 ( 1.766 1.865 -4.463) 5.149 20.159 ( -4.916 -3.590 -2.769) 6.687 20.159 ( -4.916 3.590 -2.769) 6.687 20.211 ( -4.054 -4.929 -0.415) 6.395 20.211 ( -4.054 4.929 -0.415) 6.395 20.553 ( 11.296 -6.314 2.594) 13.198 20.553 ( 11.296 6.314 2.594) 13.198 20.968 ( -5.068 -8.574 -7.090) 12.226 20.968 ( -5.068 8.574 -7.090) 12.226 22.350 ( -0.545 -0.560 -0.154) 0.796 22.350 ( -0.545 0.560 -0.154) 0.796 22.422 ( -0.732 -0.933 -1.215) 1.698 22.422 ( -0.732 0.933 -1.215) 1.698 22.988 ( 0.196 -2.541 -0.132) 2.552 22.988 ( 0.196 2.541 -0.132) 2.552 23.002 ( 0.021 -2.492 -0.074) 2.493 23.002 ( 0.021 2.492 -0.074) 2.493 24.396 ( 2.534 -3.119 -0.787) 4.095 24.396 ( 2.534 3.119 -0.787) 4.095 24.911 ( 3.535 -8.528 4.167) 10.129 24.911 ( 3.535 8.528 4.167) 10.129 25.574 ( -13.308 -5.748 -1.942) 14.626 25.574 ( -13.308 5.748 -1.942) 14.626 25.916 ( -1.055 -5.283 -6.154) 8.178 25.916 ( -1.055 5.283 -6.154) 8.178 27.072 ( 7.494 -9.121 7.993) 14.256 27.072 ( 7.494 9.121 7.993) 14.256 27.259 ( 1.930 -4.212 0.220) 4.639 27.259 ( 1.930 4.212 0.220) 4.639 27.764 ( 6.298 -16.505 -0.995) 17.693 27.764 ( 6.298 16.505 -0.995) 17.693 27.955 ( -2.119 -12.902 -1.305) 13.140 27.955 ( -2.119 12.902 -1.305) 13.140 28.640 ( -3.467 -7.770 6.138) 10.491 28.640 ( -3.467 7.770 6.138) 10.491 28.702 ( 2.220 -5.498 -8.319) 10.216 28.702 ( 2.220 5.498 -8.319) 10.216 28.996 ( 2.600 -3.307 -2.026) 4.669 28.996 ( 2.600 3.307 -2.026) 4.669 29.122 ( -4.571 -3.173 0.517) 5.588 29.122 ( -4.571 3.173 0.517) 5.588 30.706 ( -1.390 -7.703 -1.303) 7.935 30.706 ( -1.390 7.703 -1.303) 7.935 31.146 ( 0.183 -7.134 2.911) 7.707 31.146 ( 0.183 7.134 2.911) 7.707 31.583 ( 3.567 -3.596 -0.635) 5.104 31.583 ( 3.567 3.596 -0.635) 5.104 32.069 ( -6.327 -6.269 -4.865) 10.149 32.069 ( -6.327 6.269 -4.865) 10.149 32.685 ( 5.767 -5.363 -2.133) 8.159 32.685 ( 5.767 5.363 -2.133) 8.159 32.841 ( -4.739 -2.873 6.810) 8.780 32.841 ( -4.739 2.873 6.810) 8.780 33.923 ( -0.096 -0.451 -0.135) 0.480 33.923 ( -0.096 0.451 -0.135) 0.480 34.153 ( 2.542 -1.903 2.481) 4.029 34.153 ( 2.542 1.903 2.481) 4.029 37.710 ( 1.146 -2.854 0.036) 3.076 37.710 ( 1.146 2.854 0.036) 3.076 37.932 ( -1.358 -2.865 -0.009) 3.170 37.932 ( -1.358 2.865 -0.009) 3.170 39.269 ( -1.123 -3.202 -1.556) 3.733 39.269 ( -1.123 3.202 -1.556) 3.733 39.339 ( 0.936 -4.073 0.206) 4.184 39.339 ( 0.936 4.073 0.206) 4.184 39.546 ( -0.393 -2.977 1.992) 3.604 39.546 ( -0.393 2.977 1.992) 3.604 39.605 ( 2.174 -0.974 -4.534) 5.122 39.605 ( 2.174 0.974 -4.534) 5.122 39.690 ( 2.330 -0.749 2.228) 3.310 39.690 ( 2.330 0.749 2.228) 3.310 40.088 ( 0.870 -5.762 3.987) 7.061 40.088 ( 0.870 5.762 3.987) 7.061 40.501 ( 4.198 -9.472 4.188) 11.175 40.501 ( 4.198 9.472 4.188) 11.175 40.805 ( -6.831 -12.498 -0.560) 14.254 40.805 ( -6.831 12.498 -0.560) 14.254 41.752 ( 4.210 -7.059 5.513) 9.897 41.752 ( 4.210 7.059 5.513) 9.897 42.246 ( -4.055 -9.140 -2.359) 10.273 42.246 ( -4.055 9.140 -2.359) 10.273 42.982 ( -2.268 -7.432 -0.344) 7.777 42.982 ( -2.268 7.432 -0.344) 7.778 43.463 ( -5.543 -5.560 -5.283) 9.463 43.463 ( -5.543 5.560 -5.283) 9.463 44.122 ( 5.813 -2.887 5.066) 8.234 44.122 ( 5.813 2.887 5.066) 8.234 44.547 ( -7.329 -2.374 -10.174) 12.762 44.547 ( -7.329 2.374 -10.174) 12.762 ======================= Grid point 165 (80/80) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.000 0.000 -0.000) 0.000 1.141 ( 0.000 0.000 -0.000) 0.000 1.938 ( 0.000 0.000 -0.000) 0.000 1.938 ( 0.000 0.000 -0.000) 0.000 2.597 ( -0.000 -0.000 -0.000) 0.000 2.597 ( 0.000 0.000 -0.000) 0.000 2.683 ( 0.000 0.000 -0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 -0.000) 0.000 2.908 ( 0.000 0.000 -0.000) 0.000 3.381 ( -0.000 0.000 -0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.453 ( -0.000 0.000 -0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 -0.000) 0.000 3.756 ( 0.000 0.000 -0.000) 0.000 4.041 ( 0.000 -0.000 -0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 -0.000) 0.000 4.229 ( 0.000 0.000 -0.000) 0.000 4.656 ( -0.000 -0.000 0.000) 0.000 4.656 ( -0.000 0.000 0.000) 0.000 4.662 ( 0.000 -0.000 -0.000) 0.000 4.662 ( 0.000 0.000 -0.000) 0.000 4.939 ( 0.000 0.000 -0.000) 0.000 4.939 ( 0.000 0.000 -0.000) 0.000 5.105 ( -0.000 0.000 -0.000) 0.000 5.105 ( 0.000 0.000 -0.000) 0.000 5.389 ( 0.000 0.000 -0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 -0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 6.173 ( -0.000 -0.000 -0.000) 0.000 6.173 ( -0.000 0.000 -0.000) 0.000 6.360 ( 0.000 0.000 -0.000) 0.000 6.360 ( 0.000 0.000 0.000) 0.000 6.682 ( -0.000 -0.000 0.000) 0.000 6.682 ( 0.000 0.000 0.000) 0.000 6.704 ( 0.000 -0.000 -0.000) 0.000 6.704 ( 0.000 0.000 -0.000) 0.000 7.263 ( -0.000 0.000 -0.000) 0.000 7.263 ( 0.000 -0.000 0.000) 0.000 7.284 ( -0.000 -0.000 -0.000) 0.000 7.284 ( 0.000 0.000 0.000) 0.000 7.721 ( -0.000 -0.000 -0.000) 0.000 7.721 ( 0.000 -0.000 0.000) 0.000 7.766 ( -0.000 0.000 -0.000) 0.000 7.766 ( 0.000 0.000 0.000) 0.000 8.389 ( -0.000 -0.000 -0.000) 0.000 8.389 ( -0.000 0.000 0.000) 0.000 8.415 ( 0.000 0.000 -0.000) 0.000 8.415 ( 0.000 -0.000 0.000) 0.000 8.640 ( -0.000 -0.000 -0.000) 0.000 8.640 ( 0.000 -0.000 0.000) 0.000 8.662 ( -0.000 0.000 -0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 9.424 ( 0.000 -0.000 -0.000) 0.000 9.424 ( 0.000 0.000 -0.000) 0.000 9.693 ( 0.000 0.000 -0.000) 0.000 9.693 ( 0.000 0.000 -0.000) 0.000 10.029 ( 0.000 0.000 -0.000) 0.000 10.029 ( 0.000 0.000 0.000) 0.000 10.086 ( 0.000 0.000 -0.000) 0.000 10.086 ( 0.000 0.000 -0.000) 0.000 11.212 ( 0.000 -0.000 0.000) 0.000 11.212 ( 0.000 0.000 -0.000) 0.000 11.291 ( 0.000 0.000 -0.000) 0.000 11.291 ( 0.000 0.000 0.000) 0.000 12.024 ( -0.000 -0.000 0.000) 0.000 12.024 ( 0.000 0.000 0.000) 0.000 12.030 ( -0.000 -0.000 -0.000) 0.000 12.030 ( -0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 -0.000) 0.000 12.990 ( 0.000 0.000 -0.000) 0.000 13.077 ( 0.000 0.000 -0.000) 0.000 13.077 ( 0.000 0.000 -0.000) 0.000 13.592 ( 0.000 0.000 -0.000) 0.000 13.592 ( 0.000 0.000 -0.000) 0.000 13.972 ( 0.000 0.000 -0.000) 0.000 13.972 ( 0.000 0.000 0.000) 0.000 14.620 ( 0.000 -0.000 -0.000) 0.000 14.620 ( 0.000 0.000 0.000) 0.000 14.845 ( 0.000 -0.000 -0.000) 0.000 14.845 ( 0.000 0.000 -0.000) 0.000 15.320 ( 0.000 0.000 -0.000) 0.000 15.320 ( 0.000 0.000 -0.000) 0.000 15.687 ( -0.000 0.000 -0.000) 0.000 15.687 ( 0.000 0.000 0.000) 0.000 16.162 ( 0.000 -0.000 -0.000) 0.000 16.162 ( 0.000 -0.000 0.000) 0.000 16.228 ( 0.000 0.000 -0.000) 0.000 16.228 ( 0.000 0.000 0.000) 0.000 17.434 ( 0.000 0.000 -0.000) 0.000 17.434 ( 0.000 0.000 0.000) 0.000 17.727 ( -0.000 -0.000 -0.000) 0.000 17.727 ( -0.000 0.000 -0.000) 0.000 17.848 ( 0.000 -0.000 0.000) 0.000 17.848 ( 0.000 0.000 0.000) 0.000 18.012 ( 0.000 0.000 -0.000) 0.000 18.012 ( 0.000 0.000 -0.000) 0.000 18.393 ( 0.000 0.000 -0.000) 0.000 18.393 ( 0.000 0.000 -0.000) 0.000 18.552 ( 0.000 0.000 -0.000) 0.000 18.552 ( 0.000 0.000 -0.000) 0.000 18.764 ( 0.000 0.000 -0.000) 0.000 18.764 ( 0.000 0.000 0.000) 0.000 18.938 ( 0.000 0.000 -0.000) 0.000 18.938 ( 0.000 0.000 -0.000) 0.000 19.209 ( 0.000 0.000 0.000) 0.000 19.209 ( 0.000 0.000 0.000) 0.000 19.253 ( 0.000 0.000 -0.000) 0.000 19.253 ( 0.000 0.000 -0.000) 0.000 19.656 ( 0.000 0.000 -0.000) 0.000 19.656 ( 0.000 0.000 0.000) 0.000 19.860 ( -0.000 -0.000 -0.000) 0.000 19.860 ( -0.000 0.000 -0.000) 0.000 20.043 ( 0.000 0.000 -0.000) 0.000 20.043 ( 0.000 0.000 0.000) 0.000 20.191 ( 0.000 0.000 -0.000) 0.000 20.191 ( 0.000 0.000 0.000) 0.000 20.727 ( 0.000 -0.000 -0.000) 0.000 20.727 ( 0.000 0.000 -0.000) 0.000 20.828 ( -0.000 0.000 -0.000) 0.000 20.828 ( 0.000 0.000 0.000) 0.000 22.347 ( 0.000 0.000 -0.000) 0.000 22.347 ( 0.000 0.000 -0.000) 0.000 22.408 ( 0.000 0.000 -0.000) 0.000 22.408 ( 0.000 0.000 0.000) 0.000 22.990 ( 0.000 0.000 -0.000) 0.000 22.990 ( 0.000 0.000 -0.000) 0.000 23.001 ( -0.000 -0.000 0.000) 0.000 23.001 ( 0.000 0.000 0.000) 0.000 24.424 ( 0.000 0.000 -0.000) 0.000 24.424 ( 0.000 0.000 -0.000) 0.000 24.962 ( 0.000 0.000 -0.000) 0.000 24.962 ( 0.000 0.000 0.000) 0.000 25.436 ( -0.000 0.000 0.000) 0.000 25.436 ( 0.000 0.000 0.000) 0.000 25.883 ( 0.000 -0.000 -0.000) 0.000 25.883 ( 0.000 0.000 -0.000) 0.000 27.222 ( -0.000 0.000 0.000) 0.000 27.222 ( -0.000 -0.000 0.000) 0.000 27.228 ( 0.000 0.000 -0.000) 0.000 27.228 ( 0.000 0.000 -0.000) 0.000 27.828 ( 0.000 -0.000 -0.000) 0.000 27.828 ( 0.000 -0.000 0.000) 0.000 27.918 ( 0.000 0.000 -0.000) 0.000 27.918 ( 0.000 0.000 -0.000) 0.000 28.640 ( 0.000 0.000 -0.000) 0.000 28.640 ( -0.000 0.000 0.000) 0.000 28.677 ( 0.000 -0.000 -0.000) 0.000 28.677 ( 0.000 0.000 0.000) 0.000 29.029 ( 0.000 -0.000 -0.000) 0.000 29.029 ( 0.000 0.000 -0.000) 0.000 29.066 ( 0.000 0.000 -0.000) 0.000 29.066 ( 0.000 0.000 -0.000) 0.000 30.692 ( 0.000 0.000 -0.000) 0.000 30.692 ( 0.000 0.000 0.000) 0.000 31.149 ( 0.000 0.000 -0.000) 0.000 31.149 ( 0.000 0.000 -0.000) 0.000 31.636 ( 0.000 0.000 -0.000) 0.000 31.636 ( 0.000 0.000 -0.000) 0.000 31.974 ( 0.000 0.000 -0.000) 0.000 31.974 ( 0.000 0.000 0.000) 0.000 32.767 ( 0.000 -0.000 -0.000) 0.000 32.767 ( -0.000 0.000 0.000) 0.000 32.789 ( 0.000 -0.000 -0.000) 0.000 32.789 ( -0.000 -0.000 0.000) 0.000 33.921 ( 0.000 0.000 -0.000) 0.000 33.921 ( 0.000 0.000 -0.000) 0.000 34.189 ( 0.000 0.000 -0.000) 0.000 34.189 ( 0.000 0.000 0.000) 0.000 37.722 ( -0.000 0.000 -0.000) 0.000 37.722 ( 0.000 0.000 -0.000) 0.000 37.918 ( 0.000 0.000 -0.000) 0.000 37.918 ( 0.000 0.000 -0.000) 0.000 39.250 ( 0.000 -0.000 -0.000) 0.000 39.250 ( 0.000 0.000 -0.000) 0.000 39.349 ( 0.000 -0.000 -0.000) 0.000 39.349 ( 0.000 0.000 -0.000) 0.000 39.560 ( 0.000 0.000 -0.000) 0.000 39.560 ( 0.000 0.000 0.000) 0.000 39.574 ( 0.000 0.000 -0.000) 0.000 39.574 ( 0.000 0.000 -0.000) 0.000 39.751 ( 0.000 -0.000 -0.000) 0.000 39.751 ( 0.000 0.000 0.000) 0.000 40.108 ( 0.000 0.000 -0.000) 0.000 40.108 ( 0.000 0.000 0.000) 0.000 40.622 ( 0.000 -0.000 -0.000) 0.000 40.622 ( 0.000 0.000 0.000) 0.000 40.667 ( -0.000 -0.000 -0.000) 0.000 40.667 ( -0.000 0.000 -0.000) 0.000 41.907 ( 0.000 0.000 -0.000) 0.000 41.907 ( 0.000 0.000 0.000) 0.000 42.102 ( 0.000 0.000 -0.000) 0.000 42.102 ( 0.000 0.000 0.000) 0.000 42.990 ( 0.000 -0.000 -0.000) 0.000 42.990 ( 0.000 0.000 -0.000) 0.000 43.363 ( 0.000 0.000 -0.000) 0.000 43.363 ( 0.000 0.000 -0.000) 0.000 44.295 ( -0.000 0.000 -0.000) 0.000 44.295 ( 0.000 0.000 -0.000) 0.000 44.342 ( 0.000 0.000 0.000) 0.000 44.342 ( 0.000 0.000 0.000) 0.000 =================== 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 3/44064 10.0 18.538 21.700 18.667 0.000 -5.881 0.000 3/44064 20.0 5.446 6.900 6.124 0.000 0.356 0.000 3/44064 30.0 2.867 3.605 3.445 0.000 0.463 0.000 3/44064 40.0 1.923 2.418 2.434 0.000 0.357 0.000 3/44064 50.0 1.467 1.855 1.936 0.000 0.279 0.000 3/44064 60.0 1.205 1.540 1.646 0.000 0.227 0.000 3/44064 70.0 1.038 1.345 1.455 0.000 0.192 0.000 3/44064 80.0 0.921 1.214 1.319 0.000 0.167 0.000 3/44064 90.0 0.835 1.121 1.216 0.000 0.149 0.000 3/44064 100.0 0.769 1.050 1.135 0.000 0.137 0.000 3/44064 110.0 0.716 0.996 1.069 0.000 0.127 0.000 3/44064 120.0 0.672 0.954 1.015 0.000 0.121 0.000 3/44064 130.0 0.636 0.919 0.971 0.000 0.116 0.000 3/44064 140.0 0.606 0.891 0.933 0.000 0.112 0.000 3/44064 150.0 0.579 0.867 0.901 0.000 0.110 0.000 3/44064 160.0 0.557 0.848 0.873 0.000 0.108 0.000 3/44064 170.0 0.537 0.830 0.849 0.000 0.106 0.000 3/44064 180.0 0.520 0.815 0.828 0.000 0.105 0.000 3/44064 190.0 0.504 0.801 0.809 0.000 0.103 0.000 3/44064 200.0 0.490 0.789 0.792 0.000 0.102 0.000 3/44064 210.0 0.478 0.777 0.776 0.000 0.101 0.000 3/44064 220.0 0.466 0.767 0.762 0.000 0.099 0.000 3/44064 230.0 0.455 0.756 0.748 0.000 0.098 0.000 3/44064 240.0 0.446 0.746 0.735 0.000 0.097 0.000 3/44064 250.0 0.436 0.736 0.723 0.000 0.095 0.000 3/44064 260.0 0.428 0.727 0.711 0.000 0.094 0.000 3/44064 270.0 0.420 0.718 0.700 0.000 0.092 0.000 3/44064 280.0 0.412 0.709 0.689 0.000 0.091 0.000 3/44064 290.0 0.404 0.700 0.679 0.000 0.089 0.000 3/44064 300.0 0.397 0.691 0.669 0.000 0.088 0.000 3/44064 310.0 0.391 0.682 0.659 0.000 0.086 0.000 3/44064 320.0 0.384 0.674 0.650 0.000 0.085 0.000 3/44064 330.0 0.378 0.665 0.640 0.000 0.083 0.000 3/44064 340.0 0.372 0.657 0.631 0.000 0.082 0.000 3/44064 350.0 0.366 0.649 0.622 0.000 0.080 0.000 3/44064 360.0 0.361 0.640 0.614 0.000 0.079 0.000 3/44064 370.0 0.355 0.632 0.605 0.000 0.078 0.000 3/44064 380.0 0.350 0.625 0.597 0.000 0.076 0.000 3/44064 390.0 0.345 0.617 0.589 0.000 0.075 0.000 3/44064 400.0 0.340 0.609 0.581 0.000 0.074 0.000 3/44064 410.0 0.335 0.602 0.573 0.000 0.072 0.000 3/44064 420.0 0.331 0.594 0.566 0.000 0.071 0.000 3/44064 430.0 0.326 0.587 0.558 0.000 0.070 0.000 3/44064 440.0 0.322 0.580 0.551 0.000 0.069 0.000 3/44064 450.0 0.318 0.573 0.544 0.000 0.067 0.000 3/44064 460.0 0.313 0.566 0.537 0.000 0.066 0.000 3/44064 470.0 0.309 0.559 0.530 0.000 0.065 0.000 3/44064 480.0 0.305 0.552 0.524 0.000 0.064 0.000 3/44064 490.0 0.301 0.545 0.517 0.000 0.063 0.000 3/44064 500.0 0.298 0.539 0.511 0.000 0.062 0.000 3/44064 510.0 0.294 0.533 0.505 0.000 0.061 0.000 3/44064 520.0 0.290 0.526 0.499 0.000 0.060 0.000 3/44064 530.0 0.287 0.520 0.493 0.000 0.059 0.000 3/44064 540.0 0.283 0.514 0.487 0.000 0.058 0.000 3/44064 550.0 0.280 0.508 0.481 0.000 0.057 0.000 3/44064 560.0 0.277 0.503 0.475 0.000 0.057 0.000 3/44064 570.0 0.274 0.497 0.470 0.000 0.056 0.000 3/44064 580.0 0.270 0.491 0.464 0.000 0.055 0.000 3/44064 590.0 0.267 0.486 0.459 0.000 0.054 0.000 3/44064 600.0 0.264 0.480 0.454 0.000 0.053 0.000 3/44064 610.0 0.261 0.475 0.449 0.000 0.053 0.000 3/44064 620.0 0.258 0.470 0.444 0.000 0.052 0.000 3/44064 630.0 0.256 0.465 0.439 0.000 0.051 0.000 3/44064 640.0 0.253 0.460 0.434 0.000 0.050 0.000 3/44064 650.0 0.250 0.455 0.429 0.000 0.050 0.000 3/44064 660.0 0.247 0.450 0.425 0.000 0.049 0.000 3/44064 670.0 0.245 0.445 0.420 0.000 0.048 0.000 3/44064 680.0 0.242 0.441 0.416 0.000 0.048 0.000 3/44064 690.0 0.240 0.436 0.411 0.000 0.047 0.000 3/44064 700.0 0.237 0.432 0.407 0.000 0.047 0.000 3/44064 710.0 0.235 0.427 0.403 0.000 0.046 0.000 3/44064 720.0 0.232 0.423 0.399 0.000 0.045 0.000 3/44064 730.0 0.230 0.419 0.395 0.000 0.045 0.000 3/44064 740.0 0.228 0.415 0.391 0.000 0.044 0.000 3/44064 750.0 0.225 0.410 0.387 0.000 0.044 0.000 3/44064 760.0 0.223 0.406 0.383 0.000 0.043 0.000 3/44064 770.0 0.221 0.402 0.379 0.000 0.043 0.000 3/44064 780.0 0.219 0.399 0.375 0.000 0.042 0.000 3/44064 790.0 0.217 0.395 0.372 0.000 0.042 0.000 3/44064 800.0 0.215 0.391 0.368 0.000 0.041 0.000 3/44064 810.0 0.213 0.387 0.365 0.000 0.041 0.000 3/44064 820.0 0.211 0.384 0.361 0.000 0.040 0.000 3/44064 830.0 0.209 0.380 0.358 0.000 0.040 0.000 3/44064 840.0 0.207 0.377 0.355 0.000 0.039 0.000 3/44064 850.0 0.205 0.373 0.351 0.000 0.039 0.000 3/44064 860.0 0.203 0.370 0.348 0.000 0.039 0.000 3/44064 870.0 0.201 0.367 0.345 0.000 0.038 0.000 3/44064 880.0 0.200 0.363 0.342 0.000 0.038 0.000 3/44064 890.0 0.198 0.360 0.339 0.000 0.037 0.000 3/44064 900.0 0.196 0.357 0.336 0.000 0.037 0.000 3/44064 910.0 0.194 0.354 0.333 0.000 0.037 0.000 3/44064 920.0 0.193 0.351 0.330 0.000 0.036 0.000 3/44064 930.0 0.191 0.348 0.327 0.000 0.036 0.000 3/44064 940.0 0.190 0.345 0.324 0.000 0.036 0.000 3/44064 950.0 0.188 0.342 0.321 0.000 0.035 0.000 3/44064 960.0 0.186 0.339 0.319 0.000 0.035 0.000 3/44064 970.0 0.185 0.336 0.316 0.000 0.035 0.000 3/44064 980.0 0.183 0.333 0.313 0.000 0.034 0.000 3/44064 990.0 0.182 0.331 0.311 0.000 0.034 0.000 3/44064 1000.0 0.180 0.328 0.308 0.000 0.034 0.000 3/44064 Thermal conductivity related properties were written into "kappa-m666.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:20:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|