----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:52:04]------------------------- 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 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.838587965011385 -4.922004030000000 0.000000000000000 b 5.838587965011385 4.922004030000000 0.000000000000000 c -4.492711976183519 0.000000000000000 6.165799427837894 Atomic positions (fractional): *1 F 0.74150042426166 0.68254349531734 0.60617568058488 18.998 2 F 0.31745650468267 0.25849957573834 0.89382431941512 18.998 3 F 0.25849957573834 0.31745650468266 0.39382431941512 18.998 4 F 0.68254349531734 0.74150042426166 0.10617568058488 18.998 *5 F 0.59881152033270 0.18352383139154 0.42507073330210 18.998 6 F 0.81647616860846 0.40118847966730 0.07492926669790 18.998 *7 F 0.60676946073345 0.39323053926655 0.25000000000000 18.998 8 F 0.39323053926655 0.60676946073345 0.75000000000000 18.998 *9 F 0.49784173856555 0.73905428443822 0.28280650325369 18.998 10 F 0.26094571556178 0.50215826143445 0.21719349674631 18.998 11 F 0.50215826143445 0.26094571556178 0.71719349674631 18.998 12 F 0.73905428443822 0.49784173856555 0.78280650325369 18.998 *13 F 0.27658915168158 0.97013051690691 0.15028873615259 18.998 14 F 0.02986948309309 0.72341084831842 0.34971126384741 18.998 15 F 0.72341084831842 0.02986948309309 0.84971126384741 18.998 16 F 0.97013051690691 0.27658915168158 0.65028873615259 18.998 *17 F 0.50000000000000 0.00000000000000 0.00000000000000 18.998 18 F 0.00000000000000 0.50000000000000 0.50000000000000 18.998 *19 F 0.93660901110068 0.82871373992115 0.04426368559268 18.998 20 F 0.17128626007885 0.06339098889932 0.45573631440732 18.998 21 F 0.06339098889932 0.17128626007885 0.95573631440732 18.998 22 F 0.82871373992115 0.93660901110068 0.54426368559268 18.998 23 F 0.18352383139154 0.59881152033270 0.92507073330210 18.998 24 F 0.40118847966730 0.81647616860846 0.57492926669790 18.998 *25 Hf 0.78582481427652 0.21417518572348 0.75000000000000 178.490 26 Hf 0.21417518572348 0.78582481427652 0.25000000000000 178.490 *27 Hf 0.63407867254285 0.77651707284163 0.83314425753993 178.490 28 Hf 0.22348292715837 0.36592132745715 0.66685574246007 178.490 29 Hf 0.36592132745715 0.22348292715837 0.16685574246007 178.490 30 Hf 0.77651707284163 0.63407867254285 0.33314425753993 178.490 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.677175930022770 0.000000000000000 0.000000000000000 b 0.000000000000000 9.844008060000000 0.000000000000000 c -4.492711976183519 0.000000000000000 6.165799427837894 Atomic positions (fractional): *1 F 0.21202195978950 0.47052153552784 0.60617568058488 18.998 > 1 2 F 0.78797804021050 0.47052153552784 0.89382431941512 18.998 > 2 3 F 0.78797804021050 0.52947846447216 0.39382431941512 18.998 > 3 4 F 0.21202195978950 0.52947846447216 0.10617568058488 18.998 > 4 *5 F 0.89116767586212 0.29235615552942 0.42507073330210 18.998 > 5 6 F 0.10883232413788 0.29235615552942 0.07492926669790 18.998 > 6 *7 F 0.00000000000000 0.39323053926655 0.25000000000000 18.998 > 7 8 F 0.00000000000000 0.60676946073345 0.75000000000000 18.998 > 8 *9 F 0.11844801150188 0.62060627293633 0.28280650325369 18.998 > 9 10 F 0.88155198849812 0.62060627293633 0.21719349674631 18.998 > 10 11 F 0.88155198849812 0.37939372706367 0.71719349674631 18.998 > 11 12 F 0.11844801150188 0.37939372706367 0.78280650325369 18.998 > 12 *13 F 0.12335983429424 0.84677068261267 0.15028873615259 18.998 > 13 14 F 0.87664016570576 0.84677068261267 0.34971126384741 18.998 > 14 15 F 0.87664016570576 0.15322931738733 0.84971126384741 18.998 > 15 16 F 0.12335983429424 0.15322931738733 0.65028873615259 18.998 > 16 *17 F 0.25000000000000 0.75000000000000 0.00000000000000 18.998 > 17 18 F 0.75000000000000 0.75000000000000 0.50000000000000 18.998 > 18 *19 F 0.38266137551091 0.44605236441023 0.04426368559268 18.998 > 19 20 F 0.61733862448909 0.44605236441023 0.45573631440732 18.998 > 20 21 F 0.61733862448909 0.55394763558977 0.95573631440732 18.998 > 21 22 F 0.38266137551091 0.55394763558977 0.54426368559268 18.998 > 22 23 F 0.89116767586212 0.70764384447058 0.92507073330210 18.998 > 23 24 F 0.10883232413788 0.70764384447058 0.57492926669790 18.998 > 24 25 F 0.71202195978950 0.97052153552784 0.60617568058488 18.998 > 1 26 F 0.28797804021050 0.97052153552784 0.89382431941512 18.998 > 2 27 F 0.28797804021050 0.02947846447216 0.39382431941512 18.998 > 3 28 F 0.71202195978950 0.02947846447216 0.10617568058488 18.998 > 4 29 F 0.39116767586212 0.79235615552942 0.42507073330210 18.998 > 5 30 F 0.60883232413788 0.79235615552942 0.07492926669790 18.998 > 6 31 F 0.50000000000000 0.89323053926655 0.25000000000000 18.998 > 7 32 F 0.50000000000000 0.10676946073345 0.75000000000000 18.998 > 8 33 F 0.61844801150188 0.12060627293633 0.28280650325369 18.998 > 9 34 F 0.38155198849812 0.12060627293633 0.21719349674631 18.998 > 10 35 F 0.38155198849812 0.87939372706367 0.71719349674631 18.998 > 11 36 F 0.61844801150188 0.87939372706367 0.78280650325369 18.998 > 12 37 F 0.62335983429424 0.34677068261267 0.15028873615259 18.998 > 13 38 F 0.37664016570576 0.34677068261267 0.34971126384741 18.998 > 14 39 F 0.37664016570576 0.65322931738733 0.84971126384741 18.998 > 15 40 F 0.62335983429424 0.65322931738733 0.65028873615259 18.998 > 16 41 F 0.75000000000000 0.25000000000000 0.00000000000000 18.998 > 17 42 F 0.25000000000000 0.25000000000000 0.50000000000000 18.998 > 18 43 F 0.88266137551091 0.94605236441023 0.04426368559268 18.998 > 19 44 F 0.11733862448909 0.94605236441023 0.45573631440732 18.998 > 20 45 F 0.11733862448909 0.05394763558977 0.95573631440732 18.998 > 21 46 F 0.88266137551091 0.05394763558977 0.54426368559268 18.998 > 22 47 F 0.39116767586212 0.20764384447058 0.92507073330210 18.998 > 23 48 F 0.60883232413788 0.20764384447058 0.57492926669790 18.998 > 24 *49 Hf 0.00000000000000 0.21417518572348 0.75000000000000 178.490 > 25 50 Hf 0.00000000000000 0.78582481427652 0.25000000000000 178.490 > 26 *51 Hf 0.20529787269224 0.57121920014939 0.83314425753993 178.490 > 27 52 Hf 0.79470212730776 0.57121920014939 0.66685574246007 178.490 > 28 53 Hf 0.79470212730776 0.42878079985061 0.16685574246007 178.490 > 29 54 Hf 0.20529787269224 0.42878079985061 0.33314425753993 178.490 > 30 55 Hf 0.50000000000000 0.71417518572348 0.75000000000000 178.490 > 25 56 Hf 0.50000000000000 0.28582481427652 0.25000000000000 178.490 > 26 57 Hf 0.70529787269224 0.07121920014939 0.83314425753993 178.490 > 27 58 Hf 0.29470212730776 0.07121920014939 0.66685574246007 178.490 > 28 59 Hf 0.29470212730776 0.92878079985061 0.16685574246007 178.490 > 29 60 Hf 0.70529787269224 0.92878079985061 0.33314425753993 178.490 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.677175930022770 0.000000000000000 0.000000000000000 b 0.000000000000000 9.844008060000000 0.000000000000000 c -8.985423952367038 0.000000000000000 12.331598855675788 Atomic positions (fractional): *1 F 0.21202195978950 0.47052153552784 0.30308784029244 18.998 > 1 2 F 0.21202195978950 0.47052153552784 0.80308784029244 18.998 > 1 3 F 0.78797804021050 0.47052153552784 0.44691215970756 18.998 > 2 4 F 0.78797804021050 0.47052153552784 0.94691215970756 18.998 > 2 5 F 0.78797804021050 0.52947846447216 0.19691215970756 18.998 > 3 6 F 0.78797804021050 0.52947846447216 0.69691215970756 18.998 > 3 7 F 0.21202195978950 0.52947846447216 0.05308784029244 18.998 > 4 8 F 0.21202195978950 0.52947846447216 0.55308784029244 18.998 > 4 *9 F 0.89116767586212 0.29235615552942 0.21253536665105 18.998 > 5 10 F 0.89116767586212 0.29235615552942 0.71253536665105 18.998 > 5 11 F 0.10883232413788 0.29235615552942 0.03746463334895 18.998 > 6 12 F 0.10883232413788 0.29235615552942 0.53746463334895 18.998 > 6 *13 F 0.00000000000000 0.39323053926655 0.12500000000000 18.998 > 7 14 F 0.00000000000000 0.39323053926655 0.62500000000000 18.998 > 7 15 F 0.00000000000000 0.60676946073345 0.37500000000000 18.998 > 8 16 F 0.00000000000000 0.60676946073345 0.87500000000000 18.998 > 8 *17 F 0.11844801150188 0.62060627293633 0.14140325162685 18.998 > 9 18 F 0.11844801150188 0.62060627293633 0.64140325162684 18.998 > 9 19 F 0.88155198849812 0.62060627293633 0.10859674837315 18.998 > 10 20 F 0.88155198849812 0.62060627293633 0.60859674837316 18.998 > 10 21 F 0.88155198849812 0.37939372706367 0.35859674837315 18.998 > 11 22 F 0.88155198849812 0.37939372706367 0.85859674837315 18.998 > 11 23 F 0.11844801150188 0.37939372706367 0.39140325162685 18.998 > 12 24 F 0.11844801150188 0.37939372706367 0.89140325162685 18.998 > 12 *25 F 0.12335983429424 0.84677068261267 0.07514436807630 18.998 > 13 26 F 0.12335983429424 0.84677068261267 0.57514436807630 18.998 > 13 27 F 0.87664016570576 0.84677068261267 0.17485563192370 18.998 > 14 28 F 0.87664016570576 0.84677068261267 0.67485563192370 18.998 > 14 29 F 0.87664016570576 0.15322931738733 0.42485563192370 18.998 > 15 30 F 0.87664016570576 0.15322931738733 0.92485563192370 18.998 > 15 31 F 0.12335983429424 0.15322931738733 0.32514436807630 18.998 > 16 32 F 0.12335983429424 0.15322931738733 0.82514436807630 18.998 > 16 *33 F 0.25000000000000 0.75000000000000 0.00000000000000 18.998 > 17 34 F 0.25000000000000 0.75000000000000 0.50000000000000 18.998 > 17 35 F 0.75000000000000 0.75000000000000 0.25000000000000 18.998 > 18 36 F 0.75000000000000 0.75000000000000 0.75000000000000 18.998 > 18 *37 F 0.38266137551091 0.44605236441023 0.02213184279634 18.998 > 19 38 F 0.38266137551091 0.44605236441023 0.52213184279634 18.998 > 19 39 F 0.61733862448909 0.44605236441023 0.22786815720366 18.998 > 20 40 F 0.61733862448909 0.44605236441023 0.72786815720366 18.998 > 20 41 F 0.61733862448909 0.55394763558977 0.47786815720366 18.998 > 21 42 F 0.61733862448909 0.55394763558977 0.97786815720366 18.998 > 21 43 F 0.38266137551091 0.55394763558977 0.27213184279634 18.998 > 22 44 F 0.38266137551091 0.55394763558977 0.77213184279634 18.998 > 22 45 F 0.89116767586212 0.70764384447058 0.46253536665105 18.998 > 23 46 F 0.89116767586212 0.70764384447058 0.96253536665105 18.998 > 23 47 F 0.10883232413788 0.70764384447058 0.28746463334895 18.998 > 24 48 F 0.10883232413788 0.70764384447058 0.78746463334895 18.998 > 24 49 F 0.71202195978950 0.97052153552784 0.30308784029244 18.998 > 1 50 F 0.71202195978950 0.97052153552784 0.80308784029244 18.998 > 1 51 F 0.28797804021050 0.97052153552784 0.44691215970756 18.998 > 2 52 F 0.28797804021050 0.97052153552784 0.94691215970756 18.998 > 2 53 F 0.28797804021050 0.02947846447216 0.19691215970756 18.998 > 3 54 F 0.28797804021050 0.02947846447216 0.69691215970756 18.998 > 3 55 F 0.71202195978950 0.02947846447216 0.05308784029244 18.998 > 4 56 F 0.71202195978950 0.02947846447216 0.55308784029244 18.998 > 4 57 F 0.39116767586212 0.79235615552942 0.21253536665105 18.998 > 5 58 F 0.39116767586212 0.79235615552942 0.71253536665105 18.998 > 5 59 F 0.60883232413788 0.79235615552942 0.03746463334895 18.998 > 6 60 F 0.60883232413788 0.79235615552942 0.53746463334895 18.998 > 6 61 F 0.50000000000000 0.89323053926655 0.12500000000000 18.998 > 7 62 F 0.50000000000000 0.89323053926655 0.62500000000000 18.998 > 7 63 F 0.50000000000000 0.10676946073345 0.37500000000000 18.998 > 8 64 F 0.50000000000000 0.10676946073345 0.87500000000000 18.998 > 8 65 F 0.61844801150188 0.12060627293633 0.14140325162685 18.998 > 9 66 F 0.61844801150188 0.12060627293633 0.64140325162684 18.998 > 9 67 F 0.38155198849812 0.12060627293633 0.10859674837315 18.998 > 10 68 F 0.38155198849812 0.12060627293633 0.60859674837316 18.998 > 10 69 F 0.38155198849812 0.87939372706367 0.35859674837315 18.998 > 11 70 F 0.38155198849812 0.87939372706367 0.85859674837315 18.998 > 11 71 F 0.61844801150188 0.87939372706367 0.39140325162685 18.998 > 12 72 F 0.61844801150188 0.87939372706367 0.89140325162685 18.998 > 12 73 F 0.62335983429424 0.34677068261267 0.07514436807630 18.998 > 13 74 F 0.62335983429424 0.34677068261267 0.57514436807630 18.998 > 13 75 F 0.37664016570576 0.34677068261267 0.17485563192370 18.998 > 14 76 F 0.37664016570576 0.34677068261267 0.67485563192370 18.998 > 14 77 F 0.37664016570576 0.65322931738733 0.42485563192370 18.998 > 15 78 F 0.37664016570576 0.65322931738733 0.92485563192370 18.998 > 15 79 F 0.62335983429424 0.65322931738733 0.32514436807630 18.998 > 16 80 F 0.62335983429424 0.65322931738733 0.82514436807630 18.998 > 16 81 F 0.75000000000000 0.25000000000000 0.00000000000000 18.998 > 17 82 F 0.75000000000000 0.25000000000000 0.50000000000000 18.998 > 17 83 F 0.25000000000000 0.25000000000000 0.25000000000000 18.998 > 18 84 F 0.25000000000000 0.25000000000000 0.75000000000000 18.998 > 18 85 F 0.88266137551091 0.94605236441023 0.02213184279634 18.998 > 19 86 F 0.88266137551091 0.94605236441023 0.52213184279634 18.998 > 19 87 F 0.11733862448909 0.94605236441023 0.22786815720366 18.998 > 20 88 F 0.11733862448909 0.94605236441023 0.72786815720366 18.998 > 20 89 F 0.11733862448909 0.05394763558977 0.47786815720366 18.998 > 21 90 F 0.11733862448909 0.05394763558977 0.97786815720366 18.998 > 21 91 F 0.88266137551091 0.05394763558977 0.27213184279634 18.998 > 22 92 F 0.88266137551091 0.05394763558977 0.77213184279634 18.998 > 22 93 F 0.39116767586212 0.20764384447058 0.46253536665105 18.998 > 23 94 F 0.39116767586212 0.20764384447058 0.96253536665105 18.998 > 23 95 F 0.60883232413788 0.20764384447058 0.28746463334895 18.998 > 24 96 F 0.60883232413788 0.20764384447058 0.78746463334895 18.998 > 24 *97 Hf 0.00000000000000 0.21417518572348 0.37500000000000 178.490 > 25 98 Hf 0.00000000000000 0.21417518572348 0.87500000000000 178.490 > 25 99 Hf 0.00000000000000 0.78582481427652 0.12500000000000 178.490 > 26 100 Hf 0.00000000000000 0.78582481427652 0.62500000000000 178.490 > 26 *101 Hf 0.20529787269224 0.57121920014939 0.41657212876997 178.490 > 27 102 Hf 0.20529787269224 0.57121920014939 0.91657212876997 178.490 > 27 103 Hf 0.79470212730776 0.57121920014939 0.33342787123003 178.490 > 28 104 Hf 0.79470212730776 0.57121920014939 0.83342787123003 178.490 > 28 105 Hf 0.79470212730776 0.42878079985061 0.08342787123004 178.490 > 29 106 Hf 0.79470212730776 0.42878079985061 0.58342787123004 178.490 > 29 107 Hf 0.20529787269224 0.42878079985061 0.16657212876996 178.490 > 30 108 Hf 0.20529787269224 0.42878079985061 0.66657212876996 178.490 > 30 109 Hf 0.50000000000000 0.71417518572348 0.37500000000000 178.490 > 25 110 Hf 0.50000000000000 0.71417518572348 0.87500000000000 178.490 > 25 111 Hf 0.50000000000000 0.28582481427652 0.12500000000000 178.490 > 26 112 Hf 0.50000000000000 0.28582481427652 0.62500000000000 178.490 > 26 113 Hf 0.70529787269224 0.07121920014939 0.41657212876997 178.490 > 27 114 Hf 0.70529787269224 0.07121920014939 0.91657212876997 178.490 > 27 115 Hf 0.29470212730776 0.07121920014939 0.33342787123003 178.490 > 28 116 Hf 0.29470212730776 0.07121920014939 0.83342787123003 178.490 > 28 117 Hf 0.29470212730776 0.92878079985061 0.08342787123004 178.490 > 29 118 Hf 0.29470212730776 0.92878079985061 0.58342787123004 178.490 > 29 119 Hf 0.70529787269224 0.92878079985061 0.16657212876996 178.490 > 30 120 Hf 0.70529787269224 0.92878079985061 0.66657212876996 178.490 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7648233 0.0000000 -0.0843653 0.0000000 2.7884981 0.0000000 -0.0843654 0.0000000 2.6963036 -------------------------- Born effective charges -------------------------- 1 F -1.2657904 0.3636931 0.7972005 0.3225942 -0.8859890 -0.4284325 0.8665475 -0.5307051 -1.7821219 2 F -1.2657904 -0.3636931 0.7972005 -0.3225942 -0.8859890 0.4284325 0.8665475 0.5307051 -1.7821219 3 F -1.2657904 0.3636931 0.7972005 0.3225942 -0.8859890 -0.4284325 0.8665475 -0.5307051 -1.7821219 4 F -1.2657904 -0.3636931 0.7972005 -0.3225942 -0.8859890 0.4284325 0.8665475 0.5307051 -1.7821219 5 F -0.6818330 -0.0719234 0.0733075 -0.0852706 -1.1916880 0.7978825 0.1092164 0.8401722 -2.0306582 6 F -0.6818330 0.0719234 0.0733075 0.0852706 -1.1916880 -0.7978825 0.1092164 -0.8401722 -2.0306582 7 F -2.4278705 0.0000000 -0.3709268 0.0000000 -0.6605359 0.0000000 -0.4124617 0.0000000 -0.7776400 8 F -2.4278705 0.0000000 -0.3709268 0.0000000 -0.6605359 0.0000000 -0.4124617 0.0000000 -0.7776400 9 F -1.1436438 0.8438513 -0.0972468 0.7457442 -2.0393950 0.1530211 -0.1254315 0.2144551 -0.7024232 10 F -1.1436438 -0.8438513 -0.0972468 -0.7457442 -2.0393950 -0.1530211 -0.1254315 -0.2144551 -0.7024232 11 F -1.1436438 0.8438513 -0.0972468 0.7457442 -2.0393950 0.1530211 -0.1254315 0.2144551 -0.7024232 12 F -1.1436438 -0.8438513 -0.0972468 -0.7457442 -2.0393950 -0.1530211 -0.1254315 -0.2144551 -0.7024232 13 F -2.3913498 -0.6478479 0.2756349 -0.7450787 -0.9191696 0.1073706 0.1748663 0.0554903 -0.7182333 14 F -2.3913498 0.6478479 0.2756349 0.7450787 -0.9191696 -0.1073706 0.1748663 -0.0554903 -0.7182333 15 F -2.3913498 -0.6478479 0.2756349 -0.7450787 -0.9191696 0.1073706 0.1748663 0.0554903 -0.7182333 16 F -2.3913498 0.6478479 0.2756349 0.7450787 -0.9191696 -0.1073706 0.1748663 -0.0554903 -0.7182333 17 F -0.6632671 0.1486000 0.1280841 0.1946628 -2.3124750 -0.9765941 0.1787145 -1.0076093 -1.2194668 18 F -0.6632671 -0.1486000 0.1280841 -0.1946628 -2.3124750 0.9765941 0.1787145 1.0076093 -1.2194668 19 F -0.9761194 0.5192165 -0.4876676 0.4701316 -1.6232637 0.8657516 -0.4661746 0.9064654 -1.4361953 20 F -0.9761194 -0.5192165 -0.4876676 -0.4701316 -1.6232637 -0.8657516 -0.4661746 -0.9064654 -1.4361953 21 F -0.9761194 0.5192165 -0.4876676 0.4701316 -1.6232637 0.8657516 -0.4661746 0.9064654 -1.4361953 22 F -0.9761194 -0.5192165 -0.4876676 -0.4701316 -1.6232637 -0.8657516 -0.4661746 -0.9064654 -1.4361953 23 F -0.6818330 0.0719234 0.0733075 0.0852706 -1.1916880 -0.7978825 0.1092164 -0.8401722 -2.0306582 24 F -0.6818330 -0.0719234 0.0733075 -0.0852706 -1.1916880 0.7978825 0.1092164 0.8401722 -2.0306582 25 Hf 5.1996380 0.0000000 -0.0714949 0.0000000 5.6075700 0.0000000 0.0550943 0.0000000 5.0205024 26 Hf 5.1996380 0.0000000 -0.0714949 0.0000000 5.6075700 0.0000000 0.0550943 0.0000000 5.0205024 27 Hf 5.4044863 0.2336333 -0.4040597 0.2339762 5.3422258 -0.2070875 -0.4696977 -0.1637865 5.1579341 28 Hf 5.4044863 -0.2336333 -0.4040597 -0.2339762 5.3422258 0.2070875 -0.4696977 0.1637865 5.1579341 29 Hf 5.4044863 0.2336333 -0.4040597 0.2339762 5.3422258 -0.2070875 -0.4696977 -0.1637865 5.1579341 30 Hf 5.4044863 -0.2336333 -0.4040597 -0.2339762 5.3422258 0.2070875 -0.4696977 0.1637865 5.1579341 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 21798/21798 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4198 Number of blocks in projector: 4198 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: 910 Use submatrix version of eigh solver. (1) Block: 500 / 910 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 910 / 910 (1) 397 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 381 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 381 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4198, 4126), data: False |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (894, 880), data: False |-- (894, 13), data: (894, 27) @ (27, 13) |-- (394, 381), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (894, 880), data: False |-- (894, 13), data: (894, 27) @ (27, 13) |-- (394, 381), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (910, 893), data: False |-- (910, 13), data: (910, 30) @ (30, 13) |-- (410, 397), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.224 Solver_block: 200 / 960 - Time: 1.082 Solver_block: 300 / 960 - Time: 1.092 Solver_block: 400 / 960 - Time: 1.072 Solver_block: 500 / 960 - Time: 1.075 Solver_block: 600 / 960 - Time: 1.078 Solver_block: 700 / 960 - Time: 1.072 Solver_block: 800 / 960 - Time: 1.074 Solver_block: 900 / 960 - Time: 1.099 Solver_block: 960 / 960 - Time: 0.699 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.806 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 21798/21798 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4198 Number of blocks in projector: 4198 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: 910 Use submatrix version of eigh solver. (1) Block: 500 / 910 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 910 / 910 (1) 397 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 381 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 894 Use submatrix version of eigh solver. (1) Block: 500 / 894 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 894 / 894 (1) 381 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4198, 4126), data: False |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 491), data: False |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (894, 880), data: False |-- (894, 13), data: (894, 27) @ (27, 13) |-- (394, 381), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (894, 880), data: False |-- (894, 13), data: (894, 27) @ (27, 13) |-- (394, 381), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (910, 893), data: False |-- (910, 13), data: (910, 30) @ (30, 13) |-- (410, 397), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:52:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:52:59]------------------------- 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 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.838587965011385 -4.922004030000000 0.000000000000000 b 5.838587965011385 4.922004030000000 0.000000000000000 c -4.492711976183519 0.000000000000000 6.165799427837894 Atomic positions (fractional): 1 F 0.74150042426166 0.68254349531734 0.60617568058488 18.998 2 F 0.31745650468267 0.25849957573834 0.89382431941512 18.998 3 F 0.25849957573834 0.31745650468266 0.39382431941512 18.998 4 F 0.68254349531734 0.74150042426166 0.10617568058488 18.998 5 F 0.59881152033270 0.18352383139154 0.42507073330210 18.998 6 F 0.81647616860846 0.40118847966730 0.07492926669790 18.998 7 F 0.60676946073345 0.39323053926655 0.25000000000000 18.998 8 F 0.39323053926655 0.60676946073345 0.75000000000000 18.998 9 F 0.49784173856555 0.73905428443822 0.28280650325369 18.998 10 F 0.26094571556178 0.50215826143445 0.21719349674631 18.998 11 F 0.50215826143445 0.26094571556178 0.71719349674631 18.998 12 F 0.73905428443822 0.49784173856555 0.78280650325369 18.998 13 F 0.27658915168158 0.97013051690691 0.15028873615259 18.998 14 F 0.02986948309309 0.72341084831842 0.34971126384741 18.998 15 F 0.72341084831842 0.02986948309309 0.84971126384741 18.998 16 F 0.97013051690691 0.27658915168158 0.65028873615259 18.998 17 F 0.50000000000000 0.00000000000000 0.00000000000000 18.998 18 F 0.00000000000000 0.50000000000000 0.50000000000000 18.998 19 F 0.93660901110068 0.82871373992115 0.04426368559268 18.998 20 F 0.17128626007885 0.06339098889932 0.45573631440732 18.998 21 F 0.06339098889932 0.17128626007885 0.95573631440732 18.998 22 F 0.82871373992115 0.93660901110068 0.54426368559268 18.998 23 F 0.18352383139154 0.59881152033270 0.92507073330210 18.998 24 F 0.40118847966730 0.81647616860846 0.57492926669790 18.998 25 Hf 0.78582481427652 0.21417518572348 0.75000000000000 178.490 26 Hf 0.21417518572348 0.78582481427652 0.25000000000000 178.490 27 Hf 0.63407867254285 0.77651707284163 0.83314425753993 178.490 28 Hf 0.22348292715837 0.36592132745715 0.66685574246007 178.490 29 Hf 0.36592132745715 0.22348292715837 0.16685574246007 178.490 30 Hf 0.77651707284163 0.63407867254285 0.33314425753993 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.677175930022770 0.000000000000000 0.000000000000000 b 0.000000000000000 9.844008060000000 0.000000000000000 c -8.985423952367038 0.000000000000000 12.331598855675788 Atomic positions (fractional): 1 F 0.21202195978950 0.47052153552784 0.30308784029244 18.998 > 1 2 F 0.21202195978950 0.47052153552784 0.80308784029244 18.998 > 1 3 F 0.78797804021050 0.47052153552784 0.44691215970756 18.998 > 3 4 F 0.78797804021050 0.47052153552784 0.94691215970756 18.998 > 3 5 F 0.78797804021050 0.52947846447216 0.19691215970756 18.998 > 5 6 F 0.78797804021050 0.52947846447216 0.69691215970756 18.998 > 5 7 F 0.21202195978950 0.52947846447216 0.05308784029244 18.998 > 7 8 F 0.21202195978950 0.52947846447216 0.55308784029244 18.998 > 7 9 F 0.89116767586212 0.29235615552942 0.21253536665105 18.998 > 9 10 F 0.89116767586212 0.29235615552942 0.71253536665105 18.998 > 9 11 F 0.10883232413788 0.29235615552942 0.03746463334895 18.998 > 11 12 F 0.10883232413788 0.29235615552942 0.53746463334895 18.998 > 11 13 F 0.00000000000000 0.39323053926655 0.12500000000000 18.998 > 13 14 F 0.00000000000000 0.39323053926655 0.62500000000000 18.998 > 13 15 F 0.00000000000000 0.60676946073345 0.37500000000000 18.998 > 15 16 F 0.00000000000000 0.60676946073345 0.87500000000000 18.998 > 15 17 F 0.11844801150188 0.62060627293633 0.14140325162685 18.998 > 17 18 F 0.11844801150188 0.62060627293633 0.64140325162684 18.998 > 17 19 F 0.88155198849812 0.62060627293633 0.10859674837315 18.998 > 19 20 F 0.88155198849812 0.62060627293633 0.60859674837316 18.998 > 19 21 F 0.88155198849812 0.37939372706367 0.35859674837315 18.998 > 21 22 F 0.88155198849812 0.37939372706367 0.85859674837315 18.998 > 21 23 F 0.11844801150188 0.37939372706367 0.39140325162685 18.998 > 23 24 F 0.11844801150188 0.37939372706367 0.89140325162685 18.998 > 23 25 F 0.12335983429424 0.84677068261267 0.07514436807630 18.998 > 25 26 F 0.12335983429424 0.84677068261267 0.57514436807630 18.998 > 25 27 F 0.87664016570576 0.84677068261267 0.17485563192370 18.998 > 27 28 F 0.87664016570576 0.84677068261267 0.67485563192370 18.998 > 27 29 F 0.87664016570576 0.15322931738733 0.42485563192370 18.998 > 29 30 F 0.87664016570576 0.15322931738733 0.92485563192370 18.998 > 29 31 F 0.12335983429424 0.15322931738733 0.32514436807630 18.998 > 31 32 F 0.12335983429424 0.15322931738733 0.82514436807630 18.998 > 31 33 F 0.25000000000000 0.75000000000000 0.00000000000000 18.998 > 33 34 F 0.25000000000000 0.75000000000000 0.50000000000000 18.998 > 33 35 F 0.75000000000000 0.75000000000000 0.25000000000000 18.998 > 35 36 F 0.75000000000000 0.75000000000000 0.75000000000000 18.998 > 35 37 F 0.38266137551091 0.44605236441023 0.02213184279634 18.998 > 37 38 F 0.38266137551091 0.44605236441023 0.52213184279634 18.998 > 37 39 F 0.61733862448909 0.44605236441023 0.22786815720366 18.998 > 39 40 F 0.61733862448909 0.44605236441023 0.72786815720366 18.998 > 39 41 F 0.61733862448909 0.55394763558977 0.47786815720366 18.998 > 41 42 F 0.61733862448909 0.55394763558977 0.97786815720366 18.998 > 41 43 F 0.38266137551091 0.55394763558977 0.27213184279634 18.998 > 43 44 F 0.38266137551091 0.55394763558977 0.77213184279634 18.998 > 43 45 F 0.89116767586212 0.70764384447058 0.46253536665105 18.998 > 45 46 F 0.89116767586212 0.70764384447058 0.96253536665105 18.998 > 45 47 F 0.10883232413788 0.70764384447058 0.28746463334895 18.998 > 47 48 F 0.10883232413788 0.70764384447058 0.78746463334895 18.998 > 47 49 F 0.71202195978950 0.97052153552784 0.30308784029244 18.998 > 1 50 F 0.71202195978950 0.97052153552784 0.80308784029244 18.998 > 1 51 F 0.28797804021050 0.97052153552784 0.44691215970756 18.998 > 3 52 F 0.28797804021050 0.97052153552784 0.94691215970756 18.998 > 3 53 F 0.28797804021050 0.02947846447216 0.19691215970756 18.998 > 5 54 F 0.28797804021050 0.02947846447216 0.69691215970756 18.998 > 5 55 F 0.71202195978950 0.02947846447216 0.05308784029244 18.998 > 7 56 F 0.71202195978950 0.02947846447216 0.55308784029244 18.998 > 7 57 F 0.39116767586212 0.79235615552942 0.21253536665105 18.998 > 9 58 F 0.39116767586212 0.79235615552942 0.71253536665105 18.998 > 9 59 F 0.60883232413788 0.79235615552942 0.03746463334895 18.998 > 11 60 F 0.60883232413788 0.79235615552942 0.53746463334895 18.998 > 11 61 F 0.50000000000000 0.89323053926655 0.12500000000000 18.998 > 13 62 F 0.50000000000000 0.89323053926655 0.62500000000000 18.998 > 13 63 F 0.50000000000000 0.10676946073345 0.37500000000000 18.998 > 15 64 F 0.50000000000000 0.10676946073345 0.87500000000000 18.998 > 15 65 F 0.61844801150188 0.12060627293633 0.14140325162685 18.998 > 17 66 F 0.61844801150188 0.12060627293633 0.64140325162684 18.998 > 17 67 F 0.38155198849812 0.12060627293633 0.10859674837315 18.998 > 19 68 F 0.38155198849812 0.12060627293633 0.60859674837316 18.998 > 19 69 F 0.38155198849812 0.87939372706367 0.35859674837315 18.998 > 21 70 F 0.38155198849812 0.87939372706367 0.85859674837315 18.998 > 21 71 F 0.61844801150188 0.87939372706367 0.39140325162685 18.998 > 23 72 F 0.61844801150188 0.87939372706367 0.89140325162685 18.998 > 23 73 F 0.62335983429424 0.34677068261267 0.07514436807630 18.998 > 25 74 F 0.62335983429424 0.34677068261267 0.57514436807630 18.998 > 25 75 F 0.37664016570576 0.34677068261267 0.17485563192370 18.998 > 27 76 F 0.37664016570576 0.34677068261267 0.67485563192370 18.998 > 27 77 F 0.37664016570576 0.65322931738733 0.42485563192370 18.998 > 29 78 F 0.37664016570576 0.65322931738733 0.92485563192370 18.998 > 29 79 F 0.62335983429424 0.65322931738733 0.32514436807630 18.998 > 31 80 F 0.62335983429424 0.65322931738733 0.82514436807630 18.998 > 31 81 F 0.75000000000000 0.25000000000000 0.00000000000000 18.998 > 33 82 F 0.75000000000000 0.25000000000000 0.50000000000000 18.998 > 33 83 F 0.25000000000000 0.25000000000000 0.25000000000000 18.998 > 35 84 F 0.25000000000000 0.25000000000000 0.75000000000000 18.998 > 35 85 F 0.88266137551091 0.94605236441023 0.02213184279634 18.998 > 37 86 F 0.88266137551091 0.94605236441023 0.52213184279634 18.998 > 37 87 F 0.11733862448909 0.94605236441023 0.22786815720366 18.998 > 39 88 F 0.11733862448909 0.94605236441023 0.72786815720366 18.998 > 39 89 F 0.11733862448909 0.05394763558977 0.47786815720366 18.998 > 41 90 F 0.11733862448909 0.05394763558977 0.97786815720366 18.998 > 41 91 F 0.88266137551091 0.05394763558977 0.27213184279634 18.998 > 43 92 F 0.88266137551091 0.05394763558977 0.77213184279634 18.998 > 43 93 F 0.39116767586212 0.20764384447058 0.46253536665105 18.998 > 45 94 F 0.39116767586212 0.20764384447058 0.96253536665105 18.998 > 45 95 F 0.60883232413788 0.20764384447058 0.28746463334895 18.998 > 47 96 F 0.60883232413788 0.20764384447058 0.78746463334895 18.998 > 47 97 Hf 0.00000000000000 0.21417518572348 0.37500000000000 178.490 > 97 98 Hf 0.00000000000000 0.21417518572348 0.87500000000000 178.490 > 97 99 Hf 0.00000000000000 0.78582481427652 0.12500000000000 178.490 > 99 100 Hf 0.00000000000000 0.78582481427652 0.62500000000000 178.490 > 99 101 Hf 0.20529787269224 0.57121920014939 0.41657212876997 178.490 > 101 102 Hf 0.20529787269224 0.57121920014939 0.91657212876997 178.490 > 101 103 Hf 0.79470212730776 0.57121920014939 0.33342787123003 178.490 > 103 104 Hf 0.79470212730776 0.57121920014939 0.83342787123003 178.490 > 103 105 Hf 0.79470212730776 0.42878079985061 0.08342787123004 178.490 > 105 106 Hf 0.79470212730776 0.42878079985061 0.58342787123004 178.490 > 105 107 Hf 0.20529787269224 0.42878079985061 0.16657212876996 178.490 > 107 108 Hf 0.20529787269224 0.42878079985061 0.66657212876996 178.490 > 107 109 Hf 0.50000000000000 0.71417518572348 0.37500000000000 178.490 > 97 110 Hf 0.50000000000000 0.71417518572348 0.87500000000000 178.490 > 97 111 Hf 0.50000000000000 0.28582481427652 0.12500000000000 178.490 > 99 112 Hf 0.50000000000000 0.28582481427652 0.62500000000000 178.490 > 99 113 Hf 0.70529787269224 0.07121920014939 0.41657212876997 178.490 > 101 114 Hf 0.70529787269224 0.07121920014939 0.91657212876997 178.490 > 101 115 Hf 0.29470212730776 0.07121920014939 0.33342787123003 178.490 > 103 116 Hf 0.29470212730776 0.07121920014939 0.83342787123003 178.490 > 103 117 Hf 0.29470212730776 0.92878079985061 0.08342787123004 178.490 > 105 118 Hf 0.29470212730776 0.92878079985061 0.58342787123004 178.490 > 105 119 Hf 0.70529787269224 0.92878079985061 0.16657212876996 178.490 > 107 120 Hf 0.70529787269224 0.92878079985061 0.66657212876996 178.490 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7648233 0.0000000 -0.0843653 0.0000000 2.7884981 0.0000000 -0.0843654 0.0000000 2.6963036 -------------------------- Born effective charges -------------------------- 1 F -1.2657904 0.3636931 0.7972005 0.3225942 -0.8859890 -0.4284325 0.8665475 -0.5307051 -1.7821219 2 F -1.2657904 -0.3636931 0.7972005 -0.3225942 -0.8859890 0.4284325 0.8665475 0.5307051 -1.7821219 3 F -1.2657904 0.3636931 0.7972005 0.3225942 -0.8859890 -0.4284325 0.8665475 -0.5307051 -1.7821219 4 F -1.2657904 -0.3636931 0.7972005 -0.3225942 -0.8859890 0.4284325 0.8665475 0.5307051 -1.7821219 5 F -0.6818330 -0.0719234 0.0733075 -0.0852706 -1.1916880 0.7978825 0.1092164 0.8401722 -2.0306582 6 F -0.6818330 0.0719234 0.0733075 0.0852706 -1.1916880 -0.7978825 0.1092164 -0.8401722 -2.0306582 7 F -2.4278705 0.0000000 -0.3709268 0.0000000 -0.6605359 0.0000000 -0.4124617 0.0000000 -0.7776400 8 F -2.4278705 0.0000000 -0.3709268 0.0000000 -0.6605359 0.0000000 -0.4124617 0.0000000 -0.7776400 9 F -1.1436438 0.8438513 -0.0972468 0.7457442 -2.0393950 0.1530211 -0.1254315 0.2144551 -0.7024232 10 F -1.1436438 -0.8438513 -0.0972468 -0.7457442 -2.0393950 -0.1530211 -0.1254315 -0.2144551 -0.7024232 11 F -1.1436438 0.8438513 -0.0972468 0.7457442 -2.0393950 0.1530211 -0.1254315 0.2144551 -0.7024232 12 F -1.1436438 -0.8438513 -0.0972468 -0.7457442 -2.0393950 -0.1530211 -0.1254315 -0.2144551 -0.7024232 13 F -2.3913498 -0.6478479 0.2756349 -0.7450787 -0.9191696 0.1073706 0.1748663 0.0554903 -0.7182333 14 F -2.3913498 0.6478479 0.2756349 0.7450787 -0.9191696 -0.1073706 0.1748663 -0.0554903 -0.7182333 15 F -2.3913498 -0.6478479 0.2756349 -0.7450787 -0.9191696 0.1073706 0.1748663 0.0554903 -0.7182333 16 F -2.3913498 0.6478479 0.2756349 0.7450787 -0.9191696 -0.1073706 0.1748663 -0.0554903 -0.7182333 17 F -0.6632671 0.1486000 0.1280841 0.1946628 -2.3124750 -0.9765941 0.1787145 -1.0076093 -1.2194668 18 F -0.6632671 -0.1486000 0.1280841 -0.1946628 -2.3124750 0.9765941 0.1787145 1.0076093 -1.2194668 19 F -0.9761194 0.5192165 -0.4876676 0.4701316 -1.6232637 0.8657516 -0.4661746 0.9064654 -1.4361953 20 F -0.9761194 -0.5192165 -0.4876676 -0.4701316 -1.6232637 -0.8657516 -0.4661746 -0.9064654 -1.4361953 21 F -0.9761194 0.5192165 -0.4876676 0.4701316 -1.6232637 0.8657516 -0.4661746 0.9064654 -1.4361953 22 F -0.9761194 -0.5192165 -0.4876676 -0.4701316 -1.6232637 -0.8657516 -0.4661746 -0.9064654 -1.4361953 23 F -0.6818330 0.0719234 0.0733075 0.0852706 -1.1916880 -0.7978825 0.1092164 -0.8401722 -2.0306582 24 F -0.6818330 -0.0719234 0.0733075 -0.0852706 -1.1916880 0.7978825 0.1092164 0.8401722 -2.0306582 25 Hf 5.1996380 0.0000000 -0.0714949 0.0000000 5.6075700 0.0000000 0.0550943 0.0000000 5.0205024 26 Hf 5.1996380 0.0000000 -0.0714949 0.0000000 5.6075700 0.0000000 0.0550943 0.0000000 5.0205024 27 Hf 5.4044863 0.2336333 -0.4040597 0.2339762 5.3422258 -0.2070875 -0.4696977 -0.1637865 5.1579341 28 Hf 5.4044863 -0.2336333 -0.4040597 -0.2339762 5.3422258 0.2070875 -0.4696977 0.1637865 5.1579341 29 Hf 5.4044863 0.2336333 -0.4040597 0.2339762 5.3422258 -0.2070875 -0.4696977 -0.1637865 5.1579341 30 Hf 5.4044863 -0.2336333 -0.4040597 -0.2339762 5.3422258 0.2070875 -0.4696977 0.1637865 5.1579341 ---------------------------------------------------------------------------- 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 101, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000019 (yyy) 0.00000019 (yyy) 0.00000019 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000039 (yz) 0.00000039 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:53:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:53:42]------------------------- 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 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.838587965011385 -4.922004030000000 0.000000000000000 b 5.838587965011385 4.922004030000000 0.000000000000000 c -4.492711976183519 0.000000000000000 6.165799427837894 Atomic positions (fractional): 1 F 0.74150042426166 0.68254349531734 0.60617568058488 18.998 2 F 0.31745650468267 0.25849957573834 0.89382431941512 18.998 3 F 0.25849957573834 0.31745650468266 0.39382431941512 18.998 4 F 0.68254349531734 0.74150042426166 0.10617568058488 18.998 5 F 0.59881152033270 0.18352383139154 0.42507073330210 18.998 6 F 0.81647616860846 0.40118847966730 0.07492926669790 18.998 7 F 0.60676946073345 0.39323053926655 0.25000000000000 18.998 8 F 0.39323053926655 0.60676946073345 0.75000000000000 18.998 9 F 0.49784173856555 0.73905428443822 0.28280650325369 18.998 10 F 0.26094571556178 0.50215826143445 0.21719349674631 18.998 11 F 0.50215826143445 0.26094571556178 0.71719349674631 18.998 12 F 0.73905428443822 0.49784173856555 0.78280650325369 18.998 13 F 0.27658915168158 0.97013051690691 0.15028873615259 18.998 14 F 0.02986948309309 0.72341084831842 0.34971126384741 18.998 15 F 0.72341084831842 0.02986948309309 0.84971126384741 18.998 16 F 0.97013051690691 0.27658915168158 0.65028873615259 18.998 17 F 0.50000000000000 0.00000000000000 0.00000000000000 18.998 18 F 0.00000000000000 0.50000000000000 0.50000000000000 18.998 19 F 0.93660901110068 0.82871373992115 0.04426368559268 18.998 20 F 0.17128626007885 0.06339098889932 0.45573631440732 18.998 21 F 0.06339098889932 0.17128626007885 0.95573631440732 18.998 22 F 0.82871373992115 0.93660901110068 0.54426368559268 18.998 23 F 0.18352383139154 0.59881152033270 0.92507073330210 18.998 24 F 0.40118847966730 0.81647616860846 0.57492926669790 18.998 25 Hf 0.78582481427652 0.21417518572348 0.75000000000000 178.490 26 Hf 0.21417518572348 0.78582481427652 0.25000000000000 178.490 27 Hf 0.63407867254285 0.77651707284163 0.83314425753993 178.490 28 Hf 0.22348292715837 0.36592132745715 0.66685574246007 178.490 29 Hf 0.36592132745715 0.22348292715837 0.16685574246007 178.490 30 Hf 0.77651707284163 0.63407867254285 0.33314425753993 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.677175930022770 0.000000000000000 0.000000000000000 b 0.000000000000000 9.844008060000000 0.000000000000000 c -8.985423952367038 0.000000000000000 12.331598855675788 Atomic positions (fractional): 1 F 0.21202195978950 0.47052153552784 0.30308784029244 18.998 > 1 2 F 0.21202195978950 0.47052153552784 0.80308784029244 18.998 > 1 3 F 0.78797804021050 0.47052153552784 0.44691215970756 18.998 > 3 4 F 0.78797804021050 0.47052153552784 0.94691215970756 18.998 > 3 5 F 0.78797804021050 0.52947846447216 0.19691215970756 18.998 > 5 6 F 0.78797804021050 0.52947846447216 0.69691215970756 18.998 > 5 7 F 0.21202195978950 0.52947846447216 0.05308784029244 18.998 > 7 8 F 0.21202195978950 0.52947846447216 0.55308784029244 18.998 > 7 9 F 0.89116767586212 0.29235615552942 0.21253536665105 18.998 > 9 10 F 0.89116767586212 0.29235615552942 0.71253536665105 18.998 > 9 11 F 0.10883232413788 0.29235615552942 0.03746463334895 18.998 > 11 12 F 0.10883232413788 0.29235615552942 0.53746463334895 18.998 > 11 13 F 0.00000000000000 0.39323053926655 0.12500000000000 18.998 > 13 14 F 0.00000000000000 0.39323053926655 0.62500000000000 18.998 > 13 15 F 0.00000000000000 0.60676946073345 0.37500000000000 18.998 > 15 16 F 0.00000000000000 0.60676946073345 0.87500000000000 18.998 > 15 17 F 0.11844801150188 0.62060627293633 0.14140325162685 18.998 > 17 18 F 0.11844801150188 0.62060627293633 0.64140325162684 18.998 > 17 19 F 0.88155198849812 0.62060627293633 0.10859674837315 18.998 > 19 20 F 0.88155198849812 0.62060627293633 0.60859674837316 18.998 > 19 21 F 0.88155198849812 0.37939372706367 0.35859674837315 18.998 > 21 22 F 0.88155198849812 0.37939372706367 0.85859674837315 18.998 > 21 23 F 0.11844801150188 0.37939372706367 0.39140325162685 18.998 > 23 24 F 0.11844801150188 0.37939372706367 0.89140325162685 18.998 > 23 25 F 0.12335983429424 0.84677068261267 0.07514436807630 18.998 > 25 26 F 0.12335983429424 0.84677068261267 0.57514436807630 18.998 > 25 27 F 0.87664016570576 0.84677068261267 0.17485563192370 18.998 > 27 28 F 0.87664016570576 0.84677068261267 0.67485563192370 18.998 > 27 29 F 0.87664016570576 0.15322931738733 0.42485563192370 18.998 > 29 30 F 0.87664016570576 0.15322931738733 0.92485563192370 18.998 > 29 31 F 0.12335983429424 0.15322931738733 0.32514436807630 18.998 > 31 32 F 0.12335983429424 0.15322931738733 0.82514436807630 18.998 > 31 33 F 0.25000000000000 0.75000000000000 0.00000000000000 18.998 > 33 34 F 0.25000000000000 0.75000000000000 0.50000000000000 18.998 > 33 35 F 0.75000000000000 0.75000000000000 0.25000000000000 18.998 > 35 36 F 0.75000000000000 0.75000000000000 0.75000000000000 18.998 > 35 37 F 0.38266137551091 0.44605236441023 0.02213184279634 18.998 > 37 38 F 0.38266137551091 0.44605236441023 0.52213184279634 18.998 > 37 39 F 0.61733862448909 0.44605236441023 0.22786815720366 18.998 > 39 40 F 0.61733862448909 0.44605236441023 0.72786815720366 18.998 > 39 41 F 0.61733862448909 0.55394763558977 0.47786815720366 18.998 > 41 42 F 0.61733862448909 0.55394763558977 0.97786815720366 18.998 > 41 43 F 0.38266137551091 0.55394763558977 0.27213184279634 18.998 > 43 44 F 0.38266137551091 0.55394763558977 0.77213184279634 18.998 > 43 45 F 0.89116767586212 0.70764384447058 0.46253536665105 18.998 > 45 46 F 0.89116767586212 0.70764384447058 0.96253536665105 18.998 > 45 47 F 0.10883232413788 0.70764384447058 0.28746463334895 18.998 > 47 48 F 0.10883232413788 0.70764384447058 0.78746463334895 18.998 > 47 49 F 0.71202195978950 0.97052153552784 0.30308784029244 18.998 > 1 50 F 0.71202195978950 0.97052153552784 0.80308784029244 18.998 > 1 51 F 0.28797804021050 0.97052153552784 0.44691215970756 18.998 > 3 52 F 0.28797804021050 0.97052153552784 0.94691215970756 18.998 > 3 53 F 0.28797804021050 0.02947846447216 0.19691215970756 18.998 > 5 54 F 0.28797804021050 0.02947846447216 0.69691215970756 18.998 > 5 55 F 0.71202195978950 0.02947846447216 0.05308784029244 18.998 > 7 56 F 0.71202195978950 0.02947846447216 0.55308784029244 18.998 > 7 57 F 0.39116767586212 0.79235615552942 0.21253536665105 18.998 > 9 58 F 0.39116767586212 0.79235615552942 0.71253536665105 18.998 > 9 59 F 0.60883232413788 0.79235615552942 0.03746463334895 18.998 > 11 60 F 0.60883232413788 0.79235615552942 0.53746463334895 18.998 > 11 61 F 0.50000000000000 0.89323053926655 0.12500000000000 18.998 > 13 62 F 0.50000000000000 0.89323053926655 0.62500000000000 18.998 > 13 63 F 0.50000000000000 0.10676946073345 0.37500000000000 18.998 > 15 64 F 0.50000000000000 0.10676946073345 0.87500000000000 18.998 > 15 65 F 0.61844801150188 0.12060627293633 0.14140325162685 18.998 > 17 66 F 0.61844801150188 0.12060627293633 0.64140325162684 18.998 > 17 67 F 0.38155198849812 0.12060627293633 0.10859674837315 18.998 > 19 68 F 0.38155198849812 0.12060627293633 0.60859674837316 18.998 > 19 69 F 0.38155198849812 0.87939372706367 0.35859674837315 18.998 > 21 70 F 0.38155198849812 0.87939372706367 0.85859674837315 18.998 > 21 71 F 0.61844801150188 0.87939372706367 0.39140325162685 18.998 > 23 72 F 0.61844801150188 0.87939372706367 0.89140325162685 18.998 > 23 73 F 0.62335983429424 0.34677068261267 0.07514436807630 18.998 > 25 74 F 0.62335983429424 0.34677068261267 0.57514436807630 18.998 > 25 75 F 0.37664016570576 0.34677068261267 0.17485563192370 18.998 > 27 76 F 0.37664016570576 0.34677068261267 0.67485563192370 18.998 > 27 77 F 0.37664016570576 0.65322931738733 0.42485563192370 18.998 > 29 78 F 0.37664016570576 0.65322931738733 0.92485563192370 18.998 > 29 79 F 0.62335983429424 0.65322931738733 0.32514436807630 18.998 > 31 80 F 0.62335983429424 0.65322931738733 0.82514436807630 18.998 > 31 81 F 0.75000000000000 0.25000000000000 0.00000000000000 18.998 > 33 82 F 0.75000000000000 0.25000000000000 0.50000000000000 18.998 > 33 83 F 0.25000000000000 0.25000000000000 0.25000000000000 18.998 > 35 84 F 0.25000000000000 0.25000000000000 0.75000000000000 18.998 > 35 85 F 0.88266137551091 0.94605236441023 0.02213184279634 18.998 > 37 86 F 0.88266137551091 0.94605236441023 0.52213184279634 18.998 > 37 87 F 0.11733862448909 0.94605236441023 0.22786815720366 18.998 > 39 88 F 0.11733862448909 0.94605236441023 0.72786815720366 18.998 > 39 89 F 0.11733862448909 0.05394763558977 0.47786815720366 18.998 > 41 90 F 0.11733862448909 0.05394763558977 0.97786815720366 18.998 > 41 91 F 0.88266137551091 0.05394763558977 0.27213184279634 18.998 > 43 92 F 0.88266137551091 0.05394763558977 0.77213184279634 18.998 > 43 93 F 0.39116767586212 0.20764384447058 0.46253536665105 18.998 > 45 94 F 0.39116767586212 0.20764384447058 0.96253536665105 18.998 > 45 95 F 0.60883232413788 0.20764384447058 0.28746463334895 18.998 > 47 96 F 0.60883232413788 0.20764384447058 0.78746463334895 18.998 > 47 97 Hf 0.00000000000000 0.21417518572348 0.37500000000000 178.490 > 97 98 Hf 0.00000000000000 0.21417518572348 0.87500000000000 178.490 > 97 99 Hf 0.00000000000000 0.78582481427652 0.12500000000000 178.490 > 99 100 Hf 0.00000000000000 0.78582481427652 0.62500000000000 178.490 > 99 101 Hf 0.20529787269224 0.57121920014939 0.41657212876997 178.490 > 101 102 Hf 0.20529787269224 0.57121920014939 0.91657212876997 178.490 > 101 103 Hf 0.79470212730776 0.57121920014939 0.33342787123003 178.490 > 103 104 Hf 0.79470212730776 0.57121920014939 0.83342787123003 178.490 > 103 105 Hf 0.79470212730776 0.42878079985061 0.08342787123004 178.490 > 105 106 Hf 0.79470212730776 0.42878079985061 0.58342787123004 178.490 > 105 107 Hf 0.20529787269224 0.42878079985061 0.16657212876996 178.490 > 107 108 Hf 0.20529787269224 0.42878079985061 0.66657212876996 178.490 > 107 109 Hf 0.50000000000000 0.71417518572348 0.37500000000000 178.490 > 97 110 Hf 0.50000000000000 0.71417518572348 0.87500000000000 178.490 > 97 111 Hf 0.50000000000000 0.28582481427652 0.12500000000000 178.490 > 99 112 Hf 0.50000000000000 0.28582481427652 0.62500000000000 178.490 > 99 113 Hf 0.70529787269224 0.07121920014939 0.41657212876997 178.490 > 101 114 Hf 0.70529787269224 0.07121920014939 0.91657212876997 178.490 > 101 115 Hf 0.29470212730776 0.07121920014939 0.33342787123003 178.490 > 103 116 Hf 0.29470212730776 0.07121920014939 0.83342787123003 178.490 > 103 117 Hf 0.29470212730776 0.92878079985061 0.08342787123004 178.490 > 105 118 Hf 0.29470212730776 0.92878079985061 0.58342787123004 178.490 > 105 119 Hf 0.70529787269224 0.92878079985061 0.16657212876996 178.490 > 107 120 Hf 0.70529787269224 0.92878079985061 0.66657212876996 178.490 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7648233 0.0000000 -0.0843653 0.0000000 2.7884981 0.0000000 -0.0843654 0.0000000 2.6963036 -------------------------- Born effective charges -------------------------- 1 F -1.2657904 0.3636931 0.7972005 0.3225942 -0.8859890 -0.4284325 0.8665475 -0.5307051 -1.7821219 2 F -1.2657904 -0.3636931 0.7972005 -0.3225942 -0.8859890 0.4284325 0.8665475 0.5307051 -1.7821219 3 F -1.2657904 0.3636931 0.7972005 0.3225942 -0.8859890 -0.4284325 0.8665475 -0.5307051 -1.7821219 4 F -1.2657904 -0.3636931 0.7972005 -0.3225942 -0.8859890 0.4284325 0.8665475 0.5307051 -1.7821219 5 F -0.6818330 -0.0719234 0.0733075 -0.0852706 -1.1916880 0.7978825 0.1092164 0.8401722 -2.0306582 6 F -0.6818330 0.0719234 0.0733075 0.0852706 -1.1916880 -0.7978825 0.1092164 -0.8401722 -2.0306582 7 F -2.4278705 0.0000000 -0.3709268 0.0000000 -0.6605359 0.0000000 -0.4124617 0.0000000 -0.7776400 8 F -2.4278705 0.0000000 -0.3709268 0.0000000 -0.6605359 0.0000000 -0.4124617 0.0000000 -0.7776400 9 F -1.1436438 0.8438513 -0.0972468 0.7457442 -2.0393950 0.1530211 -0.1254315 0.2144551 -0.7024232 10 F -1.1436438 -0.8438513 -0.0972468 -0.7457442 -2.0393950 -0.1530211 -0.1254315 -0.2144551 -0.7024232 11 F -1.1436438 0.8438513 -0.0972468 0.7457442 -2.0393950 0.1530211 -0.1254315 0.2144551 -0.7024232 12 F -1.1436438 -0.8438513 -0.0972468 -0.7457442 -2.0393950 -0.1530211 -0.1254315 -0.2144551 -0.7024232 13 F -2.3913498 -0.6478479 0.2756349 -0.7450787 -0.9191696 0.1073706 0.1748663 0.0554903 -0.7182333 14 F -2.3913498 0.6478479 0.2756349 0.7450787 -0.9191696 -0.1073706 0.1748663 -0.0554903 -0.7182333 15 F -2.3913498 -0.6478479 0.2756349 -0.7450787 -0.9191696 0.1073706 0.1748663 0.0554903 -0.7182333 16 F -2.3913498 0.6478479 0.2756349 0.7450787 -0.9191696 -0.1073706 0.1748663 -0.0554903 -0.7182333 17 F -0.6632671 0.1486000 0.1280841 0.1946628 -2.3124750 -0.9765941 0.1787145 -1.0076093 -1.2194668 18 F -0.6632671 -0.1486000 0.1280841 -0.1946628 -2.3124750 0.9765941 0.1787145 1.0076093 -1.2194668 19 F -0.9761194 0.5192165 -0.4876676 0.4701316 -1.6232637 0.8657516 -0.4661746 0.9064654 -1.4361953 20 F -0.9761194 -0.5192165 -0.4876676 -0.4701316 -1.6232637 -0.8657516 -0.4661746 -0.9064654 -1.4361953 21 F -0.9761194 0.5192165 -0.4876676 0.4701316 -1.6232637 0.8657516 -0.4661746 0.9064654 -1.4361953 22 F -0.9761194 -0.5192165 -0.4876676 -0.4701316 -1.6232637 -0.8657516 -0.4661746 -0.9064654 -1.4361953 23 F -0.6818330 0.0719234 0.0733075 0.0852706 -1.1916880 -0.7978825 0.1092164 -0.8401722 -2.0306582 24 F -0.6818330 -0.0719234 0.0733075 -0.0852706 -1.1916880 0.7978825 0.1092164 0.8401722 -2.0306582 25 Hf 5.1996380 0.0000000 -0.0714949 0.0000000 5.6075700 0.0000000 0.0550943 0.0000000 5.0205024 26 Hf 5.1996380 0.0000000 -0.0714949 0.0000000 5.6075700 0.0000000 0.0550943 0.0000000 5.0205024 27 Hf 5.4044863 0.2336333 -0.4040597 0.2339762 5.3422258 -0.2070875 -0.4696977 -0.1637865 5.1579341 28 Hf 5.4044863 -0.2336333 -0.4040597 -0.2339762 5.3422258 0.2070875 -0.4696977 0.1637865 5.1579341 29 Hf 5.4044863 0.2336333 -0.4040597 0.2339762 5.3422258 -0.2070875 -0.4696977 -0.1637865 5.1579341 30 Hf 5.4044863 -0.2336333 -0.4040597 -0.2339762 5.3422258 0.2070875 -0.4696977 0.1637865 5.1579341 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000019 (yyy) 0.00000019 (yyy) 0.00000019 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 8 ] 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: 0.59, Number of G-points: 309, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 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 2.467 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.598 ( 0.000 0.000 0.000) 0.000 4.928 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 5.729 ( 0.000 0.000 0.000) 0.000 5.837 ( 0.000 0.000 0.000) 0.000 5.910 ( 0.000 0.000 0.000) 0.000 5.999 ( 0.000 0.000 0.000) 0.000 6.244 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.250 ( 0.000 0.000 0.000) 0.000 6.478 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.689 ( 0.000 0.000 0.000) 0.000 6.893 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.170 ( 0.000 0.000 0.000) 0.000 7.634 ( 0.000 0.000 0.000) 0.000 7.738 ( 0.000 0.000 0.000) 0.000 7.813 ( 0.000 0.000 0.000) 0.000 8.005 ( 0.000 0.000 0.000) 0.000 8.042 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000 8.302 ( 0.000 0.000 0.000) 0.000 8.496 ( 0.000 0.000 0.000) 0.000 8.722 ( 0.000 0.000 0.000) 0.000 8.786 ( 0.000 0.000 0.000) 0.000 8.967 ( 0.000 0.000 0.000) 0.000 9.234 ( 0.000 0.000 0.000) 0.000 9.360 ( 0.000 0.000 0.000) 0.000 9.689 ( 0.000 0.000 0.000) 0.000 10.049 ( 0.000 0.000 0.000) 0.000 10.066 ( 0.000 0.000 0.000) 0.000 10.104 ( 0.000 0.000 0.000) 0.000 10.366 ( 0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 10.636 ( 0.000 0.000 0.000) 0.000 10.725 ( 0.000 0.000 0.000) 0.000 10.811 ( 0.000 0.000 0.000) 0.000 10.878 ( 0.000 0.000 0.000) 0.000 11.238 ( 0.000 0.000 0.000) 0.000 11.334 ( 0.000 0.000 0.000) 0.000 11.439 ( 0.000 0.000 0.000) 0.000 11.755 ( 0.000 0.000 0.000) 0.000 11.938 ( 0.000 0.000 0.000) 0.000 12.013 ( 0.000 0.000 0.000) 0.000 12.261 ( 0.000 0.000 0.000) 0.000 12.417 ( 0.000 0.000 0.000) 0.000 12.430 ( 0.000 0.000 0.000) 0.000 12.928 ( 0.000 0.000 0.000) 0.000 13.051 ( 0.000 0.000 0.000) 0.000 13.266 ( 0.000 0.000 0.000) 0.000 13.416 ( 0.000 0.000 0.000) 0.000 13.713 ( 0.000 0.000 0.000) 0.000 14.009 ( 0.000 0.000 0.000) 0.000 14.118 ( 0.000 0.000 0.000) 0.000 14.517 ( 0.000 0.000 0.000) 0.000 14.921 ( 0.000 0.000 0.000) 0.000 14.947 ( 0.000 0.000 0.000) 0.000 15.186 ( 0.000 0.000 0.000) 0.000 15.530 ( 0.000 0.000 0.000) 0.000 15.841 ( 0.000 0.000 0.000) 0.000 18.372 ( 0.000 0.000 0.000) 0.000 18.839 ( 0.000 0.000 0.000) 0.000 19.654 ( 0.000 0.000 0.000) 0.000 19.693 ( 0.000 0.000 0.000) 0.000 20.448 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 15.764 -19.879 7.034) 26.328 0.783 ( 24.033 -25.779 11.571) 37.095 1.275 ( 32.049 -43.453 22.476) 58.485 2.474 ( 5.547 9.251 1.913) 10.955 2.576 ( -1.108 19.569 6.074) 20.520 2.887 ( -4.079 1.128 -2.470) 4.900 3.039 ( -5.211 -0.285 -2.655) 5.856 3.157 ( 6.133 -7.349 -2.706) 9.947 3.267 ( -3.371 4.474 7.198) 9.121 3.444 ( -0.279 7.572 0.674) 7.607 3.503 ( -3.278 -0.941 7.573) 8.306 3.832 ( -5.535 -6.258 0.588) 8.375 3.897 ( -5.054 1.302 -0.967) 5.308 4.040 ( 6.297 5.463 -2.635) 8.743 4.112 ( 1.327 -17.865 -4.281) 18.419 4.312 ( -1.566 1.814 1.893) 3.054 4.560 ( 8.222 2.673 -3.555) 9.348 4.616 ( 3.360 -0.679 -1.329) 3.676 4.873 ( -2.482 2.438 -1.347) 3.731 5.025 ( 4.156 -0.968 -1.669) 4.582 5.140 ( -3.143 3.947 -2.706) 5.725 5.367 ( 2.384 -6.773 -0.528) 7.200 5.431 ( -0.992 -0.362 0.709) 1.272 5.571 ( -0.837 -0.466 2.481) 2.660 5.677 ( -6.116 4.730 18.816) 20.343 5.701 ( 2.781 6.450 -2.228) 7.369 5.866 ( 0.667 0.160 -0.767) 1.029 5.936 ( -6.344 -0.994 -2.710) 6.970 6.193 ( -0.056 1.875 1.528) 2.419 6.244 ( 2.383 -1.340 -1.349) 3.048 6.299 ( 5.760 -3.683 -2.973) 7.455 6.331 ( 6.129 4.452 3.889) 8.516 6.463 ( -5.931 7.533 3.767) 10.301 6.639 ( 0.710 5.485 2.638) 6.128 6.785 ( 7.355 4.889 -1.317) 8.930 6.923 ( -0.478 -3.421 -3.593) 4.984 7.069 ( 3.156 3.846 1.675) 5.250 7.116 ( -0.005 -5.388 2.250) 5.839 7.575 ( -2.577 1.618 -1.161) 3.257 7.686 ( -3.832 5.703 1.597) 7.054 7.790 ( -3.871 0.301 3.267) 5.074 7.925 ( 2.761 3.103 -6.051) 7.339 8.001 ( -3.746 3.930 0.807) 5.489 8.125 ( -2.044 3.303 3.877) 5.488 8.273 ( 0.017 2.606 -1.482) 2.998 8.402 ( 6.536 -3.422 0.209) 7.381 8.446 ( -4.830 1.427 1.527) 5.262 8.743 ( -0.465 -1.782 -2.209) 2.876 8.765 ( -0.292 0.767 -0.450) 0.936 8.994 ( -3.903 -6.304 1.646) 7.595 9.203 ( 2.111 5.116 -2.636) 6.130 9.224 ( -2.156 2.508 -6.119) 6.956 9.470 ( -7.813 -18.113 -14.863) 24.699 9.767 ( 4.244 -2.548 0.260) 4.957 9.983 ( -0.678 3.682 -4.264) 5.674 10.126 ( -0.438 -1.890 5.885) 6.197 10.133 ( 1.716 -1.244 -0.219) 2.131 10.359 ( -1.087 -0.830 -1.765) 2.233 10.545 ( -3.135 1.083 1.394) 3.598 10.660 ( 3.301 -1.202 -1.799) 3.947 10.733 ( -4.384 -4.222 2.619) 6.625 10.837 ( -0.825 -3.685 2.854) 4.734 10.993 ( 11.050 -1.073 -1.084) 11.155 11.256 ( 2.817 0.877 1.738) 3.425 11.326 ( -0.489 1.399 -0.983) 1.778 11.450 ( 1.574 -1.026 -0.961) 2.111 11.762 ( 1.384 0.260 0.596) 1.529 11.966 ( 1.803 -1.885 -1.760) 3.147 12.131 ( -7.323 -12.613 -5.216) 15.489 12.254 ( -0.527 2.178 2.562) 3.404 12.390 ( 2.243 3.687 -3.255) 5.405 12.515 ( 2.988 -3.803 -0.692) 4.885 12.918 ( 0.429 1.420 -0.809) 1.690 13.240 ( -5.191 -0.332 0.857) 5.272 13.383 ( 0.833 8.360 6.445) 10.589 13.634 ( 3.466 23.360 38.726) 45.358 13.739 ( 0.772 0.055 1.431) 1.627 13.987 ( 1.392 4.807 0.279) 5.012 14.131 ( 0.608 2.054 -0.174) 2.149 14.523 ( -1.571 -0.253 1.570) 2.235 14.901 ( 8.341 11.642 1.574) 14.408 15.004 ( -2.805 -2.410 0.625) 3.751 15.538 ( 2.899 0.245 -1.721) 3.380 15.837 ( 1.927 0.152 -3.464) 3.967 18.114 ( 3.721 -7.140 -6.992) 10.663 18.780 ( -3.543 3.496 1.178) 5.115 18.897 ( -10.114 -26.210 -28.702) 40.163 19.601 ( -3.216 3.806 -1.368) 5.167 19.796 ( 2.891 -10.081 0.003) 10.488 20.542 ( -6.088 -6.499 -4.293) 9.886 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 13.318 -16.556 4.563) 21.732 1.530 ( 22.877 -23.786 10.042) 34.495 2.146 ( 1.619 4.583 7.289) 8.762 2.434 ( 1.204 8.959 1.811) 9.220 2.524 ( 23.595 -17.156 14.780) 32.703 2.793 ( -3.054 -1.706 -5.336) 6.380 3.010 ( -2.147 2.025 4.971) 5.781 3.236 ( -0.733 -1.241 1.027) 1.770 3.284 ( 1.516 -1.105 3.754) 4.196 3.362 ( 3.963 4.795 -1.344) 6.364 3.514 ( -9.126 -1.888 5.915) 11.038 3.734 ( -7.084 4.638 1.775) 8.652 3.837 ( -3.097 3.282 -0.848) 4.592 4.077 ( -0.644 -6.265 4.028) 7.476 4.289 ( 6.741 -0.288 -7.929) 10.411 4.302 ( 0.896 -0.466 6.877) 6.951 4.569 ( 6.115 -0.766 -10.213) 11.929 4.662 ( -5.000 -7.294 -6.015) 10.695 4.856 ( 7.765 1.980 1.159) 8.096 5.029 ( -0.192 0.080 -5.397) 5.401 5.048 ( -2.965 -0.766 -2.065) 3.694 5.383 ( 2.644 -1.271 -4.696) 5.537 5.443 ( -3.793 6.196 2.199) 7.590 5.525 ( -7.318 11.036 5.163) 14.213 5.637 ( 1.913 -3.763 -0.429) 4.243 5.721 ( 5.504 2.729 5.861) 8.492 5.848 ( -3.207 -2.667 -5.775) 7.123 5.863 ( -8.773 -1.287 4.005) 9.730 6.139 ( -8.590 3.789 2.080) 9.616 6.264 ( 1.617 -1.104 -3.504) 4.014 6.275 ( -2.918 1.287 3.693) 4.880 6.376 ( 3.887 0.370 -3.977) 5.573 6.482 ( 8.689 -2.034 1.333) 9.023 6.652 ( -0.402 -2.540 3.041) 3.982 6.826 ( 6.954 0.162 1.467) 7.109 6.901 ( -1.027 2.456 -0.265) 2.676 7.121 ( 5.694 -2.514 -0.872) 6.284 7.197 ( -0.611 -3.124 1.947) 3.732 7.458 ( -1.113 7.752 -2.835) 8.329 7.606 ( -1.114 2.334 2.293) 3.456 7.736 ( -7.233 4.532 4.310) 9.561 7.829 ( -4.068 -0.599 -3.664) 5.508 7.919 ( 2.524 3.374 -3.429) 5.432 8.074 ( -6.322 2.767 1.044) 6.979 8.244 ( 4.256 2.110 0.002) 4.750 8.351 ( -6.030 3.569 1.670) 7.203 8.506 ( 4.514 -1.228 -1.574) 4.936 8.687 ( 2.031 4.375 -3.462) 5.937 8.742 ( -7.961 0.932 1.984) 8.257 9.039 ( -6.028 -2.875 -0.204) 6.681 9.113 ( 0.697 -5.146 -2.769) 5.885 9.179 ( 4.564 4.293 1.392) 6.419 9.562 ( -1.884 -13.890 -6.585) 15.487 9.773 ( 1.626 5.613 -6.411) 8.675 9.954 ( 2.350 0.427 3.583) 4.306 10.076 ( -3.462 3.532 1.786) 5.258 10.261 ( 5.484 -3.539 2.894) 7.139 10.347 ( -0.748 -1.259 -2.289) 2.717 10.527 ( -2.925 -1.333 2.354) 3.984 10.706 ( 0.706 -4.231 -4.187) 5.994 10.769 ( -3.115 -1.610 4.580) 5.769 10.908 ( 0.145 -2.328 1.589) 2.822 11.112 ( 7.370 0.155 0.640) 7.399 11.285 ( -1.169 0.751 0.208) 1.405 11.314 ( 5.598 0.634 0.258) 5.640 11.493 ( 2.787 -2.545 -1.292) 3.990 11.792 ( 3.073 0.197 0.969) 3.228 12.033 ( 3.556 -5.445 -3.072) 7.193 12.156 ( -7.896 -6.934 -2.675) 10.843 12.236 ( -0.295 2.579 3.837) 4.632 12.339 ( 1.434 0.947 -4.036) 4.386 12.611 ( 4.281 -2.668 -1.190) 5.183 12.886 ( -0.644 1.692 0.182) 1.820 13.158 ( -8.105 2.090 1.755) 8.552 13.334 ( 0.151 6.356 6.240) 8.908 13.680 ( -0.972 4.085 12.965) 13.628 13.784 ( 3.635 -2.650 -2.131) 4.977 13.939 ( 3.756 6.205 1.265) 7.363 14.097 ( -1.861 0.241 -1.119) 2.185 14.478 ( -4.825 3.753 1.545) 6.305 14.868 ( 5.674 7.064 2.384) 9.370 15.010 ( -4.783 -3.995 1.869) 6.506 15.560 ( 4.326 0.338 -2.687) 5.104 15.815 ( -0.279 0.983 -1.844) 2.108 18.202 ( -1.199 -6.711 -1.933) 7.086 18.744 ( 5.449 3.027 2.169) 6.600 18.901 ( -3.418 -10.272 -11.337) 15.675 19.449 ( -6.078 6.686 -2.157) 9.289 20.000 ( 3.709 -11.197 -0.247) 11.798 20.509 ( -3.142 0.279 -0.615) 3.214 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 5.796 -6.904 1.232) 9.098 2.037 ( -1.334 4.694 1.737) 5.180 2.175 ( 19.848 -16.017 4.730) 25.940 2.329 ( -4.265 1.973 3.281) 5.731 2.654 ( -1.895 4.862 -1.137) 5.340 2.850 ( -2.904 12.567 -2.367) 13.114 3.246 ( 1.751 -16.338 6.801) 17.783 3.276 ( -2.655 -5.610 -2.321) 6.626 3.315 ( 3.770 2.578 1.116) 4.702 3.341 ( 1.172 2.182 -0.718) 2.578 3.492 ( -1.960 3.169 7.129) 8.045 3.669 ( -0.595 -2.349 3.081) 3.920 3.837 ( 3.805 -3.085 -0.503) 4.925 4.192 ( -0.785 -5.586 4.332) 7.113 4.280 ( 5.271 4.670 -2.678) 7.534 4.380 ( 2.876 -2.651 2.948) 4.897 4.530 ( -0.235 1.223 -5.487) 5.626 4.585 ( -2.791 -1.362 -3.576) 4.736 4.836 ( -10.160 10.660 -3.389) 15.112 5.034 ( 6.201 -6.834 -3.371) 9.824 5.066 ( 3.380 -3.297 -2.373) 5.284 5.281 ( -6.628 4.968 2.859) 8.763 5.298 ( 0.131 3.044 -2.626) 4.022 5.506 ( 2.154 -0.915 3.761) 4.430 5.626 ( 1.277 2.573 -2.206) 3.622 5.719 ( -7.313 5.837 -0.980) 9.408 5.812 ( -0.896 -1.673 -0.446) 1.950 5.875 ( 4.041 -0.993 4.372) 6.035 6.009 ( -6.598 -0.467 0.581) 6.640 6.288 ( 2.017 -2.361 -2.925) 4.266 6.298 ( -0.986 -1.528 1.277) 2.222 6.364 ( 0.396 1.370 -0.059) 1.428 6.608 ( 5.673 -2.662 -2.253) 6.659 6.667 ( -1.915 1.211 1.137) 2.535 6.832 ( -0.342 2.261 -0.136) 2.290 6.994 ( 2.205 -5.975 3.967) 7.504 7.162 ( 2.346 4.044 -1.801) 5.010 7.255 ( 1.202 -2.975 0.616) 3.268 7.390 ( 2.192 0.531 1.008) 2.470 7.554 ( -2.757 3.752 2.333) 5.208 7.644 ( -2.380 0.833 -0.403) 2.553 7.798 ( -0.486 -0.499 -0.552) 0.889 7.858 ( -2.322 1.350 -3.292) 4.249 7.966 ( -1.838 2.696 0.227) 3.270 8.256 ( -2.588 2.394 0.669) 3.588 8.317 ( 4.855 -3.509 1.136) 6.097 8.477 ( -2.128 5.570 -3.542) 6.935 8.606 ( -2.841 1.452 0.075) 3.191 8.659 ( -0.627 1.325 0.570) 1.573 9.057 ( -4.010 -6.134 0.787) 7.371 9.116 ( 4.782 5.061 -1.984) 7.240 9.303 ( 0.948 -8.531 4.311) 9.606 9.561 ( -2.308 5.184 -5.897) 8.183 9.745 ( 3.186 -6.806 -1.376) 7.640 9.904 ( -2.572 7.139 0.356) 7.597 10.078 ( 0.424 -1.244 1.942) 2.345 10.319 ( 0.436 1.061 -0.526) 1.262 10.429 ( 7.770 -3.173 1.580) 8.540 10.529 ( -5.110 -1.993 1.145) 5.604 10.679 ( -4.190 -0.150 -2.067) 4.674 10.796 ( 0.629 -0.893 0.541) 1.219 10.926 ( -0.103 0.495 0.787) 0.935 11.175 ( 2.790 0.574 0.278) 2.861 11.281 ( -0.168 -0.454 0.555) 0.736 11.366 ( 2.450 0.083 -0.006) 2.451 11.552 ( 1.661 -1.718 -0.590) 2.461 11.873 ( 5.437 -2.453 1.901) 6.261 12.061 ( -6.825 0.487 -2.955) 7.454 12.109 ( 1.152 -0.194 -0.849) 1.444 12.249 ( 0.353 -0.043 1.323) 1.370 12.368 ( 1.886 -4.864 -1.611) 5.460 12.623 ( 0.561 3.230 -0.747) 3.362 12.879 ( -0.325 -0.502 0.893) 1.075 13.047 ( -4.434 2.166 1.002) 5.036 13.315 ( -0.134 1.791 2.207) 2.845 13.722 ( -1.390 -1.064 3.622) 4.023 13.828 ( 3.527 0.691 -2.348) 4.293 13.941 ( 2.073 0.961 1.424) 2.692 14.085 ( 0.128 -1.851 -0.617) 1.956 14.345 ( -4.751 5.162 0.760) 7.056 14.867 ( 1.952 2.090 1.121) 3.071 15.034 ( -1.597 -2.119 0.976) 2.828 15.579 ( 2.368 0.305 -1.503) 2.821 15.781 ( -0.843 0.626 -0.448) 1.141 18.230 ( -1.597 -1.898 -0.534) 2.537 18.852 ( 5.920 -0.317 3.591) 6.931 18.916 ( 0.261 -5.730 -5.037) 7.634 19.248 ( -6.021 6.108 -1.681) 8.740 20.171 ( 2.248 -6.142 -0.303) 6.547 20.452 ( -1.760 2.291 0.223) 2.898 ======================= Grid point 8 (5/116) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 24.337 0.000 22.664) 33.256 1.131 ( 26.725 0.000 25.152) 36.700 1.599 ( 46.921 0.000 18.596) 50.472 2.594 ( -18.662 -0.000 -0.334) 18.665 2.714 ( 9.950 0.000 8.522) 13.101 2.847 ( -3.565 -0.000 -15.086) 15.502 3.018 ( 5.842 0.000 9.528) 11.177 3.169 ( 4.205 0.000 5.374) 6.824 3.339 ( -4.103 -0.000 12.815) 13.456 3.432 ( -12.254 -0.000 9.681) 15.617 3.519 ( -6.033 -0.000 -2.561) 6.554 3.799 ( 3.157 0.000 -7.047) 7.722 3.832 ( -0.980 -0.000 0.800) 1.265 3.862 ( 2.297 0.000 -8.383) 8.692 4.149 ( 10.242 0.000 -12.332) 16.030 4.332 ( -4.240 -0.000 9.538) 10.438 4.573 ( 2.769 0.000 -0.707) 2.858 4.701 ( 7.126 0.000 -5.742) 9.151 4.772 ( -6.530 -0.000 -6.114) 8.945 4.955 ( -6.537 -0.000 -4.954) 8.202 5.298 ( 10.880 0.000 -1.521) 10.985 5.323 ( 2.123 0.000 2.094) 2.982 5.429 ( 2.850 0.000 -1.254) 3.114 5.545 ( -5.894 -0.000 6.358) 8.670 5.746 ( 3.477 0.000 -2.941) 4.554 5.756 ( -8.290 -0.000 12.352) 14.876 5.827 ( -5.227 -0.000 -2.639) 5.856 5.863 ( 0.672 0.000 -6.363) 6.398 6.157 ( -5.745 -0.000 -2.014) 6.088 6.191 ( -3.727 -0.000 -3.499) 5.113 6.391 ( 1.668 0.000 1.714) 2.392 6.466 ( 1.139 0.000 1.526) 1.904 6.473 ( 4.872 0.000 3.129) 5.791 6.702 ( -0.296 -0.000 2.323) 2.342 6.838 ( -0.758 -0.000 -2.267) 2.390 6.895 ( 1.207 0.000 -1.159) 1.673 7.047 ( -2.463 -0.000 -0.191) 2.470 7.130 ( 0.103 0.000 -3.754) 3.756 7.522 ( -3.009 -0.000 2.535) 3.935 7.737 ( -4.478 -0.000 4.759) 6.535 7.775 ( -2.556 -0.000 0.541) 2.612 7.872 ( -5.051 -0.000 -5.621) 7.557 7.993 ( -5.448 -0.000 0.148) 5.450 8.091 ( -8.384 -0.000 4.207) 9.381 8.400 ( -4.965 -0.000 3.735) 6.213 8.416 ( 3.070 0.000 1.849) 3.584 8.418 ( 9.449 0.000 -4.809) 10.603 8.683 ( -4.647 -0.000 1.453) 4.869 8.765 ( 2.039 0.000 -5.509) 5.874 8.895 ( -6.252 -0.000 3.423) 7.128 9.101 ( 2.185 0.000 -5.461) 5.882 9.234 ( 2.167 0.000 -8.459) 8.732 9.301 ( 6.166 0.000 -2.434) 6.629 9.843 ( 6.090 0.000 5.381) 8.127 9.964 ( -0.134 -0.000 -4.500) 4.502 10.163 ( -2.860 -0.000 6.123) 6.758 10.168 ( 6.494 0.000 1.003) 6.571 10.317 ( -1.384 -0.000 -2.978) 3.283 10.513 ( -3.716 -0.000 -0.731) 3.787 10.656 ( 0.284 0.000 -1.626) 1.650 10.688 ( -3.568 -0.000 6.389) 7.318 10.858 ( 4.703 0.000 1.256) 4.868 11.125 ( 9.925 0.000 0.539) 9.940 11.316 ( -0.217 -0.000 -2.411) 2.421 11.322 ( 3.324 0.000 1.713) 3.740 11.477 ( 3.154 0.000 0.631) 3.217 11.811 ( 5.168 0.000 1.387) 5.351 11.924 ( 0.180 0.000 -5.963) 5.966 11.955 ( -1.115 -0.000 -3.429) 3.606 12.289 ( -1.115 -0.000 3.214) 3.401 12.432 ( 2.440 0.000 -3.016) 3.879 12.503 ( 3.133 0.000 0.041) 3.134 12.930 ( 0.648 0.000 -0.980) 1.175 13.145 ( -9.846 -0.000 1.035) 9.901 13.423 ( 0.488 0.000 -0.066) 0.493 13.742 ( 2.127 0.000 0.219) 2.138 13.922 ( -18.806 -0.000 17.749) 25.859 14.065 ( 3.933 0.000 -0.212) 3.939 14.225 ( -10.032 -0.000 8.732) 13.300 14.518 ( -3.491 -0.000 3.554) 4.982 14.817 ( -9.455 -0.000 0.484) 9.468 15.191 ( -1.251 -0.000 0.815) 1.493 15.534 ( 1.352 0.000 -0.990) 1.676 15.832 ( 4.535 0.000 -6.893) 8.251 17.998 ( 17.862 0.000 -21.716) 28.118 18.463 ( 5.855 0.000 1.021) 5.943 18.923 ( 4.065 0.000 3.161) 5.149 19.579 ( -3.886 -0.000 -2.895) 4.846 19.751 ( 4.316 0.000 1.001) 4.430 20.479 ( 0.057 0.000 3.074) 3.075 ======================= Grid point 9 (6/116) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 23.142 8.411 22.070) 33.067 1.714 ( 25.332 -8.849 17.781) 32.189 2.280 ( -5.503 8.104 -2.749) 10.175 2.458 ( 17.683 -18.185 11.347) 27.788 2.634 ( -4.381 4.813 -1.165) 6.612 2.898 ( 2.740 3.475 5.727) 7.238 3.063 ( 5.812 2.192 5.270) 8.146 3.246 ( -2.115 3.078 4.421) 5.787 3.340 ( -3.800 3.088 9.044) 10.284 3.427 ( -4.523 -3.717 1.350) 6.008 3.487 ( 4.081 3.342 0.650) 5.314 3.656 ( -1.604 2.918 -4.704) 5.764 3.809 ( -6.859 -5.968 8.643) 12.545 4.072 ( 5.770 3.446 -9.288) 11.465 4.138 ( 10.305 -15.774 -11.573) 22.113 4.374 ( -3.032 -2.124 6.423) 7.414 4.535 ( -1.997 5.315 -3.900) 6.888 4.613 ( 3.345 3.061 -6.858) 8.221 4.815 ( 0.398 -7.787 -6.662) 10.256 4.880 ( -2.011 -6.164 -0.791) 6.532 5.167 ( -0.416 12.563 -2.444) 12.805 5.355 ( -0.205 0.250 -5.139) 5.149 5.499 ( -2.710 2.097 5.152) 6.188 5.564 ( -1.599 5.727 3.388) 6.844 5.712 ( 3.022 -3.215 -4.022) 5.970 5.737 ( -4.332 3.101 -8.616) 10.130 5.806 ( -2.279 0.562 9.249) 9.542 5.838 ( 2.112 -4.039 4.804) 6.622 6.069 ( -0.825 2.871 -3.721) 4.771 6.147 ( -4.590 -4.753 -2.608) 7.103 6.310 ( -6.258 5.408 3.452) 8.962 6.466 ( 2.202 4.093 1.478) 4.877 6.571 ( 3.115 -0.236 0.222) 3.132 6.696 ( 4.300 1.930 3.126) 5.656 6.870 ( 2.464 -2.703 -3.551) 5.098 6.911 ( 3.101 -0.416 -0.333) 3.147 7.075 ( -4.538 -6.679 0.537) 8.092 7.127 ( 4.691 -3.547 -3.347) 6.767 7.516 ( -3.730 1.361 0.828) 4.056 7.629 ( -3.595 5.844 4.834) 8.393 7.723 ( -5.746 0.650 -5.126) 7.727 7.793 ( -3.360 3.297 4.656) 6.621 7.894 ( -5.023 0.098 -2.195) 5.483 8.042 ( -5.073 -0.052 1.418) 5.268 8.336 ( -4.588 1.730 0.688) 4.951 8.362 ( 3.784 6.851 -1.430) 7.956 8.545 ( 5.213 -0.052 -2.891) 5.961 8.633 ( -7.470 -1.850 1.249) 7.797 8.725 ( -0.585 1.726 -4.311) 4.680 8.868 ( -9.711 -4.194 1.015) 10.627 9.030 ( -0.901 -4.331 -1.089) 4.556 9.297 ( 6.441 1.525 -1.921) 6.892 9.404 ( 7.436 -6.089 -0.294) 9.616 9.859 ( 3.454 7.186 -2.460) 8.344 10.024 ( 3.635 -2.395 5.255) 6.824 10.123 ( -4.902 5.210 4.347) 8.371 10.266 ( 1.744 -2.475 -0.188) 3.034 10.321 ( 5.659 -4.046 -1.621) 7.142 10.471 ( -4.658 -2.226 -0.496) 5.187 10.616 ( -2.771 0.495 -1.441) 3.163 10.755 ( -1.731 -3.735 5.343) 6.745 10.937 ( 5.305 0.225 1.039) 5.411 11.222 ( 6.179 2.186 1.388) 6.700 11.291 ( 1.614 0.941 -2.861) 3.417 11.360 ( 1.692 -0.991 -0.537) 2.033 11.527 ( 4.808 0.588 0.666) 4.889 11.843 ( 2.676 0.638 -3.227) 4.240 11.929 ( -0.844 -5.540 -5.160) 7.618 12.003 ( 5.211 -5.056 0.415) 7.272 12.283 ( -2.042 0.653 1.732) 2.756 12.386 ( 2.863 5.161 -2.346) 6.351 12.607 ( 4.729 -4.400 0.590) 6.486 12.908 ( -1.270 2.078 0.533) 2.493 13.032 ( -10.975 -1.516 0.594) 11.095 13.426 ( 0.090 0.973 1.301) 1.628 13.743 ( -6.319 3.466 4.215) 8.349 13.836 ( -4.429 1.000 7.660) 8.905 14.065 ( 0.774 4.473 -1.130) 4.678 14.130 ( 0.879 5.164 0.697) 5.285 14.478 ( -5.496 2.552 2.787) 6.669 14.775 ( -11.421 -8.802 1.879) 14.541 15.100 ( -0.098 7.972 2.056) 8.233 15.572 ( 2.497 -2.184 -1.600) 3.682 15.811 ( 1.940 1.274 -4.856) 5.383 18.081 ( 6.535 -5.823 -7.681) 11.645 18.621 ( 5.421 -9.016 -2.026) 10.714 18.972 ( 6.495 4.827 2.709) 8.534 19.446 ( -6.582 5.425 -1.816) 8.720 19.908 ( 6.434 -9.050 0.326) 11.109 20.505 ( -0.924 0.757 3.483) 3.682 ======================= Grid point 10 (7/116) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 18.498 13.684 16.771) 28.473 2.031 ( -8.579 2.963 2.510) 9.417 2.290 ( 23.307 -7.934 2.079) 24.707 2.425 ( -6.039 9.734 3.016) 11.846 2.671 ( -4.966 2.230 2.861) 6.150 2.923 ( -10.105 7.991 3.480) 13.345 3.040 ( -5.733 0.365 -5.433) 7.907 3.270 ( 8.336 -4.655 -0.594) 9.566 3.329 ( -2.957 2.475 1.083) 4.005 3.464 ( 0.476 3.183 5.940) 6.756 3.614 ( 10.681 -3.799 0.785) 11.363 3.650 ( 0.261 -2.795 7.051) 7.589 3.871 ( 2.942 3.599 -0.438) 4.669 4.033 ( -2.295 -9.219 -2.322) 9.780 4.302 ( 4.295 -2.104 -5.716) 7.453 4.451 ( 1.682 1.592 -0.465) 2.362 4.467 ( 4.910 -6.384 -4.881) 9.417 4.568 ( -1.581 1.459 0.519) 2.213 4.824 ( -4.141 1.282 -1.837) 4.708 4.976 ( -0.470 -4.378 -0.037) 4.404 5.027 ( 5.059 -1.602 -1.862) 5.624 5.248 ( -4.940 2.369 -3.537) 6.521 5.388 ( -6.014 8.192 4.267) 11.022 5.471 ( -0.698 1.377 -3.392) 3.727 5.598 ( -3.074 -2.971 -4.702) 6.355 5.715 ( -4.666 3.833 -2.654) 6.596 5.843 ( 2.687 2.424 3.559) 5.076 5.998 ( 8.197 6.445 -1.134) 10.489 6.030 ( 2.672 -4.265 10.976) 12.075 6.162 ( -2.989 -6.719 -4.700) 8.728 6.231 ( -1.363 -1.124 -2.196) 2.818 6.438 ( 1.558 4.222 1.482) 4.738 6.584 ( -1.964 -2.455 0.499) 3.184 6.775 ( 7.327 4.942 0.475) 8.850 6.870 ( 0.987 2.008 -1.240) 2.558 6.965 ( -0.047 -3.006 2.188) 3.718 7.131 ( -5.936 -9.872 1.395) 11.603 7.214 ( 5.330 0.110 -5.068) 7.356 7.410 ( -6.194 3.642 2.719) 7.682 7.601 ( -2.973 4.396 -0.158) 5.309 7.611 ( -2.685 -0.862 2.927) 4.064 7.728 ( -2.417 -0.816 -4.257) 4.963 7.862 ( -0.522 0.023 3.259) 3.300 7.995 ( -1.160 2.250 0.665) 2.617 8.261 ( -2.438 1.943 -0.591) 3.173 8.327 ( 2.844 -0.691 -2.258) 3.696 8.473 ( -6.257 5.138 -4.890) 9.458 8.557 ( -2.344 -0.911 -0.134) 2.519 8.672 ( 0.348 0.382 -2.967) 3.012 8.860 ( -8.177 -8.035 0.554) 11.477 9.184 ( 3.880 -6.382 5.362) 9.194 9.329 ( 4.992 1.278 1.139) 5.278 9.545 ( 3.269 -0.792 -0.854) 3.470 9.786 ( 5.218 4.729 -0.700) 7.077 9.999 ( -3.199 7.323 3.003) 8.537 10.113 ( 0.873 0.676 3.610) 3.775 10.287 ( -0.870 -1.780 -1.643) 2.574 10.425 ( -6.414 -2.931 0.003) 7.052 10.518 ( 8.919 -6.166 0.069) 10.843 10.572 ( -1.978 -0.784 -1.215) 2.450 10.813 ( -1.180 -1.016 4.223) 4.501 10.972 ( 3.688 3.164 -0.391) 4.875 11.229 ( 1.771 4.065 -0.911) 4.526 11.275 ( -0.820 -0.230 0.865) 1.214 11.385 ( 2.482 0.163 -3.715) 4.471 11.582 ( 3.771 0.832 1.036) 3.998 11.890 ( 3.792 -3.560 -3.687) 6.376 11.920 ( -3.038 -4.411 -3.542) 6.421 12.122 ( 3.713 -0.138 -0.672) 3.776 12.294 ( 0.263 -3.796 0.976) 3.928 12.352 ( 3.684 3.179 0.858) 4.941 12.677 ( 0.753 2.817 0.862) 3.041 12.867 ( -3.820 -0.749 1.856) 4.313 12.958 ( -4.390 -2.321 -0.626) 5.005 13.403 ( -1.023 4.614 3.673) 5.985 13.657 ( -7.505 -2.524 2.091) 8.189 13.849 ( 2.342 4.655 -1.185) 5.344 14.017 ( -1.307 -3.280 -0.238) 3.539 14.106 ( 5.566 4.843 -0.818) 7.424 14.360 ( -5.704 5.118 0.823) 7.707 14.787 ( -9.997 -7.481 1.340) 12.557 15.036 ( -1.321 2.628 3.199) 4.346 15.609 ( 2.643 0.341 -1.514) 3.065 15.769 ( 0.372 0.537 -3.154) 3.221 18.170 ( 2.750 -4.285 -1.398) 5.280 18.802 ( 5.402 -9.080 -2.052) 10.763 18.981 ( 5.008 6.513 -2.320) 8.537 19.278 ( -5.594 5.301 4.045) 8.703 20.122 ( 7.148 -7.927 -0.711) 10.697 20.486 ( -2.421 3.441 3.726) 5.620 ======================= Grid point 11 (8/116) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 7.271 21.814 11.937) 25.908 1.950 ( -1.966 2.076 -1.010) 3.032 2.146 ( -13.306 13.833 -1.858) 19.283 2.464 ( 0.849 12.366 -3.389) 12.850 2.626 ( 2.314 2.485 -0.353) 3.414 2.737 ( -0.805 -6.762 3.075) 7.472 3.134 ( 0.995 -11.785 0.445) 11.835 3.234 ( -3.965 -0.102 -2.559) 4.720 3.336 ( -2.838 3.170 0.590) 4.296 3.419 ( -0.967 0.952 -7.732) 7.850 3.654 ( -5.889 15.090 2.812) 16.440 3.678 ( 9.851 4.913 2.832) 11.367 3.815 ( 3.064 0.107 -8.813) 9.331 4.109 ( -8.276 -5.316 0.121) 9.837 4.237 ( 0.238 6.936 -2.827) 7.494 4.400 ( 0.240 3.722 -4.986) 6.227 4.490 ( -0.935 -5.401 5.167) 7.533 4.720 ( 4.597 -6.055 5.271) 9.251 4.830 ( 7.734 -3.750 -0.982) 8.651 5.015 ( -8.380 -3.148 3.079) 9.467 5.098 ( 3.681 1.010 1.546) 4.118 5.205 ( 2.813 -3.298 -4.596) 6.318 5.354 ( 2.004 0.318 5.313) 5.687 5.469 ( -9.156 4.300 -0.091) 10.116 5.529 ( 0.856 -7.045 0.369) 7.107 5.633 ( 0.460 -7.959 -4.403) 9.107 5.906 ( 5.930 -0.826 -2.712) 6.572 5.974 ( 7.499 11.119 2.741) 13.689 6.110 ( 5.153 4.469 -5.244) 8.604 6.195 ( -5.489 -7.408 -0.063) 9.220 6.281 ( 1.851 -2.965 4.100) 5.387 6.415 ( 0.746 3.873 2.599) 4.724 6.631 ( -0.861 -5.021 1.263) 5.249 6.700 ( -0.999 10.089 1.375) 10.231 6.843 ( 2.357 2.018 -1.764) 3.569 6.995 ( -5.221 0.746 2.100) 5.676 7.105 ( -2.976 2.921 -2.788) 5.016 7.225 ( -5.364 2.734 -3.102) 6.772 7.294 ( -3.841 -6.152 -0.217) 7.256 7.538 ( 1.402 1.415 -2.208) 2.973 7.638 ( -0.591 -3.020 1.997) 3.669 7.739 ( -1.845 -6.259 -0.401) 6.538 7.913 ( 1.170 0.693 2.090) 2.494 7.999 ( 5.376 -0.476 2.699) 6.034 8.242 ( 2.108 -2.327 -2.206) 3.837 8.289 ( -5.866 3.756 -1.949) 7.233 8.432 ( 3.407 -7.478 0.435) 8.229 8.578 ( -0.579 -2.888 1.024) 3.118 8.645 ( 0.829 -0.242 -3.414) 3.521 8.880 ( -9.082 -9.557 -1.089) 13.229 9.253 ( 3.932 7.713 4.673) 9.838 9.442 ( 2.970 9.089 -1.135) 9.629 9.517 ( 1.974 -9.486 3.249) 10.219 9.854 ( 2.949 0.011 2.421) 3.816 9.904 ( 1.038 5.232 2.643) 5.953 10.102 ( -0.255 3.043 0.205) 3.060 10.270 ( -1.990 -0.287 -1.755) 2.669 10.379 ( -5.470 -0.839 2.210) 5.959 10.555 ( -1.008 -2.139 -3.221) 3.996 10.709 ( 9.213 -4.208 -2.331) 10.393 10.836 ( -1.568 2.480 4.396) 5.285 10.952 ( 3.197 2.810 -0.247) 4.263 11.158 ( -1.374 4.335 -0.818) 4.621 11.274 ( -2.598 -0.101 2.120) 3.355 11.342 ( 0.073 1.769 -4.881) 5.192 11.594 ( 0.507 3.040 1.826) 3.582 11.815 ( -3.593 1.181 -4.858) 6.157 12.042 ( 2.942 -6.995 -2.010) 7.851 12.118 ( 0.241 0.710 -0.278) 0.799 12.329 ( 3.702 4.126 -0.211) 5.547 12.408 ( -1.386 -2.165 4.247) 4.964 12.618 ( -0.493 2.878 2.569) 3.889 12.870 ( -0.097 -1.629 -1.730) 2.378 12.975 ( -0.089 -3.939 -1.182) 4.114 13.353 ( 0.042 4.252 2.023) 4.709 13.658 ( -6.298 -6.977 -0.460) 9.411 13.746 ( -0.193 5.877 -4.197) 7.224 14.052 ( 1.164 6.353 1.784) 6.700 14.080 ( -1.086 0.092 -0.063) 1.091 14.313 ( 3.799 -4.626 -2.154) 6.361 14.755 ( -8.013 -3.055 -0.386) 8.584 15.037 ( -2.383 -1.482 2.664) 3.869 15.588 ( -0.131 2.803 -0.290) 2.821 15.772 ( 1.369 -2.079 -1.464) 2.888 18.257 ( 3.649 -2.715 1.106) 4.680 18.806 ( -5.096 8.920 -6.620) 12.222 18.971 ( 4.255 -6.207 0.944) 7.585 19.306 ( 3.863 -1.238 7.610) 8.624 20.251 ( 5.360 2.548 -1.565) 6.138 20.448 ( -2.104 -0.550 4.023) 4.574 ======================= Grid point 12 (9/116) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 3.120 33.452 6.325) 34.188 1.653 ( -12.115 28.391 0.197) 30.869 1.967 ( -0.975 -10.697 -2.787) 11.097 2.313 ( 0.131 0.799 -4.650) 4.720 2.483 ( -10.196 23.608 -6.509) 26.527 2.910 ( 3.866 -9.273 1.864) 10.218 3.006 ( -2.627 13.555 -1.206) 13.860 3.192 ( -5.430 -0.276 -2.335) 5.917 3.214 ( -2.080 3.364 -2.698) 4.788 3.332 ( -2.101 -0.688 -1.325) 2.577 3.530 ( 1.113 -10.675 -2.483) 11.016 3.727 ( 8.768 7.083 -2.058) 11.458 3.864 ( 0.922 -2.942 1.197) 3.307 4.082 ( 2.711 -3.297 -3.874) 5.764 4.237 ( 1.790 -4.853 0.233) 5.178 4.277 ( -5.154 5.632 1.106) 7.714 4.630 ( -0.478 -5.817 4.064) 7.112 4.725 ( -8.254 9.330 1.040) 12.501 4.888 ( 3.498 4.738 3.217) 6.711 5.018 ( -1.709 -5.492 1.080) 5.852 5.115 ( -0.027 4.052 -0.810) 4.133 5.323 ( 2.952 -10.442 0.919) 10.890 5.371 ( 2.349 -3.748 -1.179) 4.577 5.470 ( 2.021 -0.353 2.097) 2.934 5.568 ( -4.781 -2.775 -2.169) 5.938 5.816 ( 6.814 -2.332 1.186) 7.299 5.927 ( 6.758 1.088 3.771) 7.815 5.999 ( 6.358 -1.964 -3.722) 7.625 6.043 ( 1.236 4.193 -4.641) 6.375 6.195 ( -4.635 -3.663 -4.489) 7.419 6.303 ( -2.400 3.070 3.276) 5.090 6.418 ( 1.184 3.064 4.396) 5.488 6.528 ( -3.019 10.513 1.916) 11.104 6.652 ( -4.676 2.834 -1.883) 5.783 6.770 ( -4.357 5.386 0.186) 6.931 6.883 ( 3.592 -1.163 -2.643) 4.609 7.072 ( -6.135 0.315 -0.406) 6.156 7.136 ( -1.577 -5.975 -1.242) 6.303 7.404 ( 0.315 -6.990 3.124) 7.663 7.530 ( 0.241 -2.723 -3.319) 4.300 7.726 ( 4.459 -4.818 -1.376) 6.707 7.811 ( -4.122 -6.723 2.218) 8.192 7.917 ( 1.821 1.286 1.090) 2.482 8.103 ( 3.198 0.851 -0.842) 3.415 8.208 ( -1.700 -1.281 3.153) 3.805 8.335 ( 5.366 -5.378 -3.536) 8.380 8.509 ( -1.196 2.361 1.315) 2.956 8.637 ( -1.321 -4.140 3.859) 5.812 8.712 ( 3.923 -9.213 -4.148) 10.838 8.914 ( -6.133 -10.937 -1.089) 12.587 9.211 ( 1.057 7.161 4.961) 8.776 9.277 ( 1.978 11.275 -3.214) 11.890 9.734 ( 0.886 -6.899 4.919) 8.519 9.830 ( 3.137 6.780 5.334) 9.180 9.913 ( -0.057 0.217 -1.884) 1.897 10.085 ( 2.092 0.509 1.774) 2.790 10.207 ( -2.477 1.195 -4.262) 5.072 10.373 ( -1.875 -0.864 2.828) 3.501 10.547 ( 1.633 -0.025 -2.671) 3.131 10.756 ( -3.868 5.680 2.173) 7.208 10.823 ( 7.024 -2.033 -4.457) 8.563 10.957 ( 1.353 4.273 0.665) 4.531 11.058 ( -3.617 4.659 0.980) 5.979 11.244 ( -4.566 0.390 0.454) 4.605 11.295 ( 1.778 0.012 -1.429) 2.281 11.545 ( -0.723 4.965 1.552) 5.252 11.745 ( -1.629 -0.867 -2.361) 2.997 12.053 ( -3.038 1.538 -1.023) 3.556 12.157 ( 1.476 -3.721 -1.517) 4.281 12.297 ( 0.511 1.737 0.660) 1.928 12.443 ( 3.581 3.570 4.000) 6.448 12.613 ( -1.573 2.003 1.961) 3.214 12.879 ( 1.192 -0.519 -0.077) 1.303 13.009 ( -2.823 -6.038 -6.703) 9.453 13.321 ( 1.066 2.509 0.100) 2.728 13.596 ( -1.362 4.665 -5.547) 7.375 13.711 ( -3.418 -5.790 0.455) 6.739 13.938 ( -0.095 6.674 0.721) 6.713 14.106 ( 0.301 -2.290 0.105) 2.312 14.451 ( 4.032 -5.949 -0.989) 7.254 14.695 ( -5.917 -2.484 -1.097) 6.510 15.056 ( -0.205 -1.373 0.618) 1.520 15.544 ( -1.710 1.722 0.877) 2.580 15.813 ( 1.038 -1.810 -0.156) 2.093 18.335 ( 5.316 4.375 1.609) 7.070 18.580 ( -7.768 -0.235 -4.277) 8.871 19.116 ( 4.699 -3.759 3.863) 7.151 19.465 ( 4.218 -4.451 4.771) 7.769 20.144 ( -0.182 12.093 -0.376) 12.101 20.538 ( 2.478 -4.687 2.770) 5.982 ======================= Grid point 13 (10/116) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -0.000 34.096 -0.000) 34.096 1.109 ( -0.000 36.811 -0.000) 36.811 1.675 ( -0.000 53.381 -0.000) 53.381 2.193 ( 0.000 -20.211 0.000) 20.211 2.350 ( 0.000 -7.450 0.000) 7.450 2.939 ( -0.000 0.366 -0.000) 0.366 3.082 ( -0.000 5.145 -0.000) 5.145 3.129 ( 0.000 -10.367 0.000) 10.367 3.182 ( 0.000 -3.302 0.000) 3.302 3.342 ( 0.000 -3.162 0.000) 3.162 3.586 ( -0.000 8.548 -0.000) 8.548 3.778 ( 0.000 -13.793 0.000) 13.793 3.905 ( 0.000 -1.509 0.000) 1.509 4.084 ( -0.000 10.502 -0.000) 10.502 4.246 ( 0.000 -7.991 0.000) 7.991 4.363 ( 0.000 -8.960 0.000) 8.960 4.413 ( -0.000 19.871 -0.000) 19.871 4.693 ( -0.000 3.250 -0.000) 3.250 4.845 ( -0.000 1.143 -0.000) 1.143 5.036 ( -0.000 3.052 -0.000) 3.052 5.139 ( 0.000 -5.918 0.000) 5.918 5.405 ( -0.000 0.337 -0.000) 0.337 5.469 ( 0.000 -0.727 0.000) 0.727 5.491 ( -0.000 0.318 -0.000) 0.318 5.568 ( 0.000 -9.156 0.000) 9.156 5.768 ( -0.000 15.908 -0.000) 15.908 5.883 ( -0.000 3.678 -0.000) 3.678 6.035 ( -0.000 1.781 -0.000) 1.781 6.152 ( 0.000 -5.155 0.000) 5.155 6.188 ( 0.000 -10.308 0.000) 10.308 6.285 ( -0.000 2.851 -0.000) 2.851 6.327 ( -0.000 6.395 -0.000) 6.395 6.414 ( -0.000 4.514 -0.000) 4.514 6.534 ( 0.000 -1.250 0.000) 1.250 6.755 ( 0.000 -0.151 0.000) 0.151 6.949 ( 0.000 -4.824 0.000) 4.824 7.016 ( -0.000 2.307 -0.000) 2.307 7.160 ( -0.000 1.269 -0.000) 1.269 7.532 ( 0.000 -6.235 0.000) 6.235 7.590 ( 0.000 -7.694 0.000) 7.694 7.834 ( 0.000 -4.668 0.000) 4.668 7.837 ( 0.000 -0.771 0.000) 0.771 7.985 ( 0.000 -7.022 0.000) 7.022 8.058 ( -0.000 2.546 -0.000) 2.546 8.284 ( 0.000 -3.231 0.000) 3.231 8.381 ( -0.000 0.911 -0.000) 0.911 8.468 ( -0.000 1.293 -0.000) 1.293 8.707 ( 0.000 -4.045 0.000) 4.045 8.802 ( 0.000 -0.885 0.000) 0.885 9.057 ( 0.000 -11.861 0.000) 11.861 9.123 ( -0.000 9.322 -0.000) 9.322 9.196 ( 0.000 -2.345 0.000) 2.345 9.767 ( -0.000 3.024 -0.000) 3.024 9.795 ( -0.000 5.331 -0.000) 5.331 9.962 ( 0.000 -4.464 0.000) 4.464 10.126 ( -0.000 1.461 -0.000) 1.461 10.130 ( 0.000 -0.253 0.000) 0.253 10.385 ( -0.000 0.096 -0.000) 0.096 10.549 ( 0.000 -0.146 0.000) 0.146 10.665 ( -0.000 3.298 -0.000) 3.298 10.848 ( -0.000 7.705 -0.000) 7.705 10.873 ( -0.000 0.631 -0.000) 0.631 10.973 ( -0.000 4.437 -0.000) 4.437 11.215 ( 0.000 -0.778 0.000) 0.778 11.318 ( 0.000 -1.061 0.000) 1.061 11.483 ( -0.000 3.518 -0.000) 3.518 11.742 ( 0.000 -0.983 0.000) 0.983 11.986 ( -0.000 2.977 -0.000) 2.977 12.208 ( 0.000 -3.061 0.000) 3.061 12.313 ( 0.000 -2.478 0.000) 2.478 12.430 ( -0.000 7.026 -0.000) 7.026 12.555 ( -0.000 4.265 -0.000) 4.265 12.905 ( 0.000 -0.565 0.000) 0.565 12.974 ( 0.000 -3.948 0.000) 3.948 13.302 ( -0.000 1.636 -0.000) 1.636 13.485 ( -0.000 4.676 -0.000) 4.676 13.743 ( 0.000 -0.369 0.000) 0.369 13.914 ( 0.000 -2.893 0.000) 2.893 14.134 ( 0.000 -0.398 0.000) 0.398 14.523 ( 0.000 -1.490 0.000) 1.490 14.704 ( 0.000 -5.741 0.000) 5.741 15.071 ( -0.000 0.810 -0.000) 0.810 15.521 ( -0.000 0.186 -0.000) 0.186 15.837 ( 0.000 -0.627 0.000) 0.627 18.233 ( -0.000 9.972 -0.000) 9.972 18.627 ( 0.000 -10.473 0.000) 10.473 19.247 ( 0.000 -4.379 0.000) 4.379 19.585 ( 0.000 -4.319 0.000) 4.319 19.945 ( -0.000 13.378 -0.000) 13.378 20.648 ( 0.000 -4.319 0.000) 4.319 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 16.489 0.000 21.424) 27.035 2.147 ( -7.033 -0.000 -8.861) 11.313 2.158 ( 20.770 0.000 22.376) 30.529 2.585 ( -9.062 -0.000 3.037) 9.558 2.700 ( 14.707 0.000 8.486) 16.980 2.850 ( -10.462 -0.000 -1.613) 10.586 3.222 ( -1.932 -0.000 -8.408) 8.627 3.295 ( -0.616 -0.000 15.812) 15.824 3.352 ( 4.499 0.000 0.660) 4.547 3.487 ( 10.445 0.000 12.022) 15.925 3.612 ( -2.058 -0.000 13.415) 13.572 3.641 ( -3.581 -0.000 -12.571) 13.071 3.752 ( -1.651 -0.000 4.162) 4.478 4.033 ( 18.168 0.000 -9.021) 20.284 4.107 ( 7.159 0.000 -12.506) 14.410 4.308 ( -4.055 -0.000 -1.446) 4.305 4.536 ( -1.265 -0.000 -5.365) 5.512 4.610 ( -4.145 -0.000 1.123) 4.294 4.668 ( 2.567 0.000 -7.882) 8.290 4.870 ( 4.647 0.000 1.539) 4.895 5.247 ( 0.638 0.000 -5.349) 5.387 5.249 ( -9.768 -0.000 1.523) 9.886 5.554 ( -3.203 -0.000 -2.698) 4.188 5.561 ( -1.157 -0.000 -7.819) 7.904 5.616 ( -5.226 -0.000 -4.155) 6.676 5.665 ( -6.071 -0.000 5.298) 8.058 5.802 ( -1.640 -0.000 3.614) 3.968 5.964 ( 6.202 0.000 12.805) 14.228 6.037 ( -0.214 -0.000 -4.387) 4.392 6.152 ( 9.145 0.000 -1.810) 9.323 6.279 ( -8.595 -0.000 0.647) 8.619 6.519 ( -0.613 -0.000 3.461) 3.515 6.613 ( -1.241 -0.000 1.174) 1.709 6.718 ( -2.028 -0.000 1.998) 2.847 6.850 ( 5.939 0.000 -4.690) 7.567 6.923 ( 2.340 0.000 -1.874) 2.998 7.062 ( 2.121 0.000 -7.692) 7.979 7.096 ( 9.458 0.000 0.651) 9.480 7.460 ( -8.233 -0.000 3.093) 8.795 7.597 ( -6.151 -0.000 -5.893) 8.518 7.726 ( -5.097 -0.000 7.819) 9.334 7.791 ( -1.900 -0.000 6.166) 6.453 7.834 ( -3.449 -0.000 -2.285) 4.138 7.995 ( -1.876 -0.000 1.452) 2.372 8.292 ( -3.747 -0.000 -1.975) 4.236 8.429 ( -8.160 -0.000 1.243) 8.254 8.494 ( 2.553 0.000 -6.974) 7.427 8.608 ( -8.335 -0.000 -4.049) 9.267 8.641 ( -0.819 -0.000 2.431) 2.565 8.738 ( -2.054 -0.000 -6.882) 7.182 8.990 ( 0.541 0.000 3.800) 3.838 9.438 ( 11.047 0.000 0.561) 11.061 9.450 ( 4.859 0.000 4.569) 6.670 9.947 ( 3.525 0.000 -3.040) 4.654 10.084 ( 0.889 0.000 6.883) 6.940 10.135 ( -8.286 -0.000 6.418) 10.481 10.258 ( 2.005 0.000 -4.499) 4.926 10.334 ( 1.309 0.000 -0.815) 1.542 10.367 ( -1.345 -0.000 -2.455) 2.799 10.635 ( 1.695 0.000 2.161) 2.746 10.741 ( -1.796 -0.000 5.304) 5.600 11.034 ( 6.348 0.000 2.172) 6.709 11.290 ( 3.000 0.000 -4.014) 5.011 11.314 ( 1.164 0.000 -4.471) 4.620 11.370 ( 6.083 0.000 2.660) 6.639 11.605 ( 4.618 0.000 1.580) 4.881 11.801 ( 0.385 0.000 -7.480) 7.490 11.833 ( -0.453 -0.000 -3.295) 3.326 12.095 ( 8.713 0.000 1.913) 8.921 12.245 ( -4.245 -0.000 -1.622) 4.544 12.454 ( 3.791 0.000 -2.405) 4.489 12.654 ( 6.388 0.000 3.252) 7.168 12.883 ( -11.870 -0.000 1.815) 12.008 12.920 ( -1.300 -0.000 1.350) 1.874 13.433 ( 0.619 0.000 -0.323) 0.698 13.730 ( -14.688 -0.000 7.193) 16.355 13.820 ( 3.403 0.000 0.805) 3.497 14.127 ( -4.913 -0.000 0.760) 4.972 14.148 ( 4.318 0.000 -3.094) 5.312 14.462 ( -5.262 -0.000 3.140) 6.128 14.558 ( -12.784 -0.000 2.358) 12.999 15.139 ( -3.539 -0.000 0.500) 3.574 15.569 ( 2.402 0.000 -0.355) 2.429 15.802 ( 1.667 0.000 -5.071) 5.338 18.089 ( 8.713 0.000 -4.439) 9.779 18.636 ( 5.831 0.000 0.843) 5.892 19.102 ( 5.701 0.000 0.711) 5.745 19.392 ( -6.572 -0.000 -1.378) 6.715 19.941 ( 8.553 0.000 1.750) 8.730 20.543 ( -0.727 -0.000 4.397) 4.457 ======================= Grid point 17 (12/116) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -4.255 3.669 -2.662) 6.217 2.271 ( 12.226 4.283 14.561) 19.490 2.413 ( -5.010 4.134 4.182) 7.725 2.620 ( 12.688 8.632 7.733) 17.185 2.680 ( -5.879 -1.714 6.338) 8.813 2.782 ( -4.897 -1.265 0.836) 5.126 3.159 ( -2.454 -0.202 -3.515) 4.292 3.211 ( -2.821 14.215 -0.232) 14.494 3.413 ( 0.212 5.176 -4.572) 6.909 3.564 ( 1.124 -2.167 8.872) 9.202 3.622 ( 3.262 1.777 -5.678) 6.785 3.693 ( 0.038 -1.973 9.220) 9.429 3.874 ( 2.863 -6.568 4.290) 8.351 4.026 ( 6.738 2.812 -9.857) 12.267 4.293 ( 13.865 -6.766 -4.109) 15.965 4.344 ( 5.602 -6.435 -2.810) 8.983 4.496 ( -8.334 1.776 2.383) 8.848 4.534 ( 2.717 -0.686 -3.005) 4.109 4.730 ( 3.198 -8.397 -5.652) 10.615 4.917 ( -0.110 0.190 0.967) 0.991 5.111 ( -4.682 1.723 -0.744) 5.044 5.190 ( -2.591 4.571 1.054) 5.359 5.396 ( -6.095 2.486 3.334) 7.379 5.458 ( -2.243 2.991 -6.709) 7.681 5.584 ( 1.095 5.522 -2.035) 5.986 5.633 ( -4.923 -3.864 -2.029) 6.579 5.846 ( -4.897 -7.341 4.341) 9.834 6.020 ( 0.444 4.951 -3.782) 6.246 6.118 ( 4.187 -2.216 -0.155) 4.740 6.156 ( -1.357 -0.328 6.707) 6.850 6.258 ( 8.993 1.947 -1.196) 9.279 6.539 ( 1.137 5.901 1.551) 6.207 6.556 ( -1.398 -0.707 3.936) 4.236 6.822 ( 1.117 -9.172 -1.481) 9.358 6.897 ( -0.901 -2.661 0.898) 2.949 6.950 ( 2.816 -1.680 -0.444) 3.309 6.970 ( 0.992 3.866 -6.172) 7.350 7.242 ( 8.520 -0.469 -3.898) 9.381 7.366 ( -11.199 1.228 3.782) 11.884 7.515 ( -2.934 -4.212 -3.699) 6.327 7.672 ( -4.600 4.874 6.312) 9.206 7.729 ( -0.741 6.942 -1.361) 7.113 7.880 ( -0.363 -2.559 6.889) 7.358 8.022 ( 2.821 -0.154 0.551) 2.878 8.222 ( -2.977 -0.325 -3.688) 4.751 8.310 ( -4.756 0.707 -1.076) 4.927 8.371 ( -9.406 0.717 -3.790) 10.166 8.572 ( 1.380 3.930 -2.003) 4.622 8.584 ( -1.460 -5.204 -4.096) 6.781 8.703 ( -4.140 -1.758 -2.599) 5.195 9.133 ( 2.769 -10.255 4.717) 11.622 9.483 ( 5.602 6.179 4.786) 9.616 9.609 ( 6.155 -0.622 2.143) 6.547 9.920 ( 2.985 5.823 -1.236) 6.659 10.055 ( -5.456 2.069 4.463) 7.346 10.133 ( -3.191 -1.339 2.844) 4.479 10.250 ( 0.462 -2.199 -2.220) 3.159 10.302 ( -3.098 -2.350 -1.870) 4.315 10.403 ( -1.333 -3.318 -2.546) 4.390 10.691 ( 6.278 2.359 4.441) 8.044 10.807 ( 0.375 -3.415 4.120) 5.364 11.093 ( 5.068 4.332 1.237) 6.781 11.256 ( -0.684 0.837 -3.329) 3.500 11.301 ( 2.566 0.231 -2.720) 3.746 11.418 ( 4.254 5.539 -0.989) 7.054 11.660 ( 3.721 1.378 1.013) 4.095 11.797 ( 0.376 -3.255 -6.236) 7.044 11.836 ( 1.699 -4.878 -0.687) 5.211 12.155 ( -0.635 0.867 -3.076) 3.259 12.216 ( 0.257 -4.755 -0.436) 4.782 12.460 ( 2.651 3.044 0.949) 4.147 12.739 ( -1.131 2.713 2.488) 3.851 12.795 ( -1.136 -2.164 0.492) 2.493 12.933 ( -0.151 -0.556 3.531) 3.578 13.447 ( 0.389 -0.610 0.568) 0.920 13.574 ( -10.937 3.081 2.667) 11.671 13.911 ( 2.755 -3.772 1.556) 4.923 13.987 ( -3.046 7.793 -1.439) 8.490 14.170 ( 3.916 -0.629 -5.484) 6.768 14.386 ( -4.712 5.083 2.297) 7.302 14.531 ( -11.227 -10.223 3.746) 15.639 15.075 ( -2.814 2.975 0.849) 4.182 15.616 ( 2.074 -1.939 0.255) 2.850 15.758 ( 0.468 1.735 -4.254) 4.618 18.176 ( 5.915 -1.742 -0.144) 6.168 18.747 ( 4.300 -5.691 0.185) 7.135 19.083 ( 1.122 6.837 -6.467) 9.477 19.322 ( -2.407 1.400 5.620) 6.272 20.112 ( 8.403 -6.155 0.583) 10.432 20.546 ( -1.885 3.019 4.020) 5.369 ======================= Grid point 18 (13/116) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -1.622 4.394 -0.962) 4.782 2.200 ( -5.812 12.181 -0.704) 13.515 2.381 ( 1.691 24.490 7.470) 25.660 2.493 ( 1.915 -8.409 -0.289) 8.629 2.687 ( -6.682 10.507 6.921) 14.246 2.895 ( 8.000 14.233 -5.297) 17.165 3.010 ( 4.617 -10.437 6.864) 13.318 3.150 ( -5.094 -1.615 1.157) 5.468 3.321 ( 2.002 1.373 -11.439) 11.694 3.459 ( -0.103 11.340 0.930) 11.379 3.684 ( -4.555 -0.057 8.676) 9.799 3.767 ( 0.150 4.461 -7.131) 8.413 3.891 ( 1.204 -4.176 0.204) 4.350 4.057 ( 2.091 5.601 -0.173) 5.981 4.263 ( -2.879 -1.458 -5.781) 6.620 4.426 ( 4.346 7.555 -0.048) 8.716 4.536 ( 0.328 4.039 2.755) 4.901 4.591 ( 3.243 -13.692 -0.819) 14.095 4.789 ( -5.369 -6.414 -4.059) 9.297 4.925 ( 1.197 0.531 0.083) 1.313 5.157 ( 2.471 -8.829 0.302) 9.174 5.202 ( 3.155 -2.347 6.300) 7.426 5.365 ( -2.853 -2.351 1.254) 3.904 5.403 ( -1.504 -0.211 4.856) 5.088 5.519 ( 4.041 1.905 -5.392) 7.002 5.560 ( -2.511 3.504 -2.243) 4.859 5.880 ( -3.755 -0.274 -6.446) 7.465 5.950 ( -1.872 -7.931 1.357) 8.262 6.152 ( -0.258 -2.530 -0.783) 2.660 6.289 ( 7.395 4.641 3.951) 9.583 6.356 ( 9.374 -1.961 1.493) 9.693 6.466 ( -1.490 4.021 -0.335) 4.301 6.586 ( -1.097 0.362 3.383) 3.575 6.808 ( -1.722 4.141 -2.285) 5.033 6.894 ( 0.461 2.678 0.687) 2.803 6.987 ( 2.269 0.756 1.219) 2.684 7.036 ( -4.036 -9.392 3.090) 10.679 7.188 ( -1.532 6.719 -7.981) 10.545 7.207 ( -5.770 4.763 0.117) 7.483 7.564 ( 0.861 -4.612 -0.723) 4.747 7.611 ( -2.759 3.676 1.306) 4.779 7.629 ( -1.424 -0.325 0.053) 1.461 7.944 ( 0.449 0.678 2.299) 2.439 8.092 ( 4.856 -1.414 3.581) 6.197 8.183 ( 0.572 -3.174 -4.753) 5.744 8.256 ( -3.885 1.567 -0.137) 4.191 8.348 ( 0.957 -8.744 0.064) 8.797 8.556 ( -0.519 -0.790 1.570) 1.832 8.608 ( 0.645 -4.734 -6.510) 8.076 8.636 ( -7.588 -2.307 0.141) 7.933 9.385 ( 2.189 -13.531 3.525) 14.153 9.472 ( 2.960 8.364 4.202) 9.817 9.594 ( 2.107 9.029 -1.753) 9.436 9.879 ( -0.722 -0.025 0.239) 0.761 10.023 ( 0.353 4.816 3.458) 5.939 10.140 ( 0.623 -0.438 1.000) 1.256 10.256 ( -0.110 1.827 -2.247) 2.898 10.315 ( -3.576 -4.053 4.096) 6.782 10.395 ( -2.514 -6.918 -5.552) 9.220 10.758 ( 3.415 0.047 0.225) 3.423 10.892 ( 1.638 0.812 3.099) 3.598 11.073 ( 4.002 5.746 1.506) 7.162 11.222 ( 0.386 0.783 -1.240) 1.517 11.288 ( 0.606 2.330 -0.928) 2.580 11.335 ( -0.081 6.231 -1.783) 6.482 11.666 ( 0.846 3.008 1.733) 3.573 11.745 ( -1.732 0.659 -4.848) 5.190 11.956 ( 1.486 -6.333 -1.245) 6.623 12.108 ( -1.228 -0.393 -1.734) 2.161 12.320 ( 2.019 -8.117 -1.385) 8.478 12.428 ( -2.579 4.434 3.009) 5.947 12.690 ( -0.411 2.773 1.794) 3.328 12.839 ( 2.721 -1.287 -1.275) 3.269 12.978 ( 1.155 0.900 2.967) 3.309 13.411 ( -3.689 3.493 0.833) 5.148 13.516 ( -1.734 -4.703 0.125) 5.014 13.814 ( -1.365 8.605 -2.267) 9.003 14.005 ( -0.833 -3.842 0.984) 4.053 14.203 ( 4.133 2.416 -2.111) 5.232 14.268 ( -1.111 1.154 -0.977) 1.876 14.584 ( -7.269 -7.949 2.314) 11.017 15.021 ( -1.809 1.195 1.040) 2.405 15.639 ( 0.607 3.307 0.332) 3.378 15.728 ( 0.490 -2.918 -2.221) 3.700 18.275 ( 3.703 -2.957 1.560) 4.989 18.861 ( -3.297 12.349 -4.815) 13.658 18.898 ( 2.626 -8.667 -0.163) 9.057 19.377 ( 1.589 -1.687 4.353) 4.931 20.302 ( 7.565 -6.327 -1.342) 9.953 20.476 ( -4.173 5.933 3.683) 8.135 ======================= Grid point 19 (14/116) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 0.000 -1.082 0.000) 1.082 1.900 ( -0.000 22.156 -0.000) 22.156 2.065 ( -0.000 25.892 -0.000) 25.892 2.392 ( -0.000 15.027 -0.000) 15.027 2.702 ( 0.000 -8.204 0.000) 8.204 2.809 ( -0.000 9.773 -0.000) 9.773 3.132 ( 0.000 -0.947 0.000) 0.947 3.151 ( -0.000 2.601 -0.000) 2.601 3.273 ( 0.000 -1.428 0.000) 1.428 3.314 ( -0.000 10.222 -0.000) 10.222 3.431 ( -0.000 8.915 -0.000) 8.915 3.780 ( 0.000 -4.719 0.000) 4.719 3.965 ( -0.000 10.029 -0.000) 10.029 4.010 ( 0.000 -6.372 0.000) 6.372 4.262 ( -0.000 7.214 -0.000) 7.214 4.282 ( 0.000 -0.552 0.000) 0.552 4.548 ( 0.000 -2.914 0.000) 2.914 4.814 ( 0.000 -7.764 0.000) 7.764 4.849 ( 0.000 -10.887 0.000) 10.887 4.873 ( -0.000 2.424 -0.000) 2.424 5.235 ( -0.000 8.554 -0.000) 8.554 5.309 ( 0.000 -6.551 0.000) 6.551 5.321 ( -0.000 3.633 -0.000) 3.633 5.498 ( 0.000 -2.418 0.000) 2.418 5.503 ( 0.000 -0.975 0.000) 0.975 5.610 ( 0.000 -16.939 0.000) 16.939 5.895 ( 0.000 -8.015 0.000) 8.015 6.028 ( 0.000 -4.097 0.000) 4.097 6.150 ( -0.000 6.180 -0.000) 6.180 6.277 ( -0.000 3.266 -0.000) 3.266 6.303 ( -0.000 12.263 -0.000) 12.263 6.542 ( -0.000 4.365 -0.000) 4.365 6.552 ( 0.000 -7.949 0.000) 7.949 6.684 ( -0.000 10.167 -0.000) 10.167 6.898 ( -0.000 13.919 -0.000) 13.919 6.903 ( -0.000 0.475 -0.000) 0.475 7.021 ( -0.000 1.482 -0.000) 1.482 7.039 ( 0.000 -2.411 0.000) 2.411 7.278 ( 0.000 -11.047 0.000) 11.047 7.526 ( -0.000 3.273 -0.000) 3.273 7.673 ( 0.000 -5.732 0.000) 5.732 7.679 ( 0.000 -7.718 0.000) 7.718 7.940 ( -0.000 0.752 -0.000) 0.752 8.171 ( 0.000 -3.177 0.000) 3.177 8.176 ( -0.000 4.747 -0.000) 4.747 8.273 ( 0.000 -6.032 0.000) 6.032 8.529 ( 0.000 -12.799 0.000) 12.799 8.553 ( -0.000 2.145 -0.000) 2.145 8.613 ( 0.000 -1.971 0.000) 1.971 8.692 ( 0.000 -11.291 0.000) 11.291 9.379 ( -0.000 9.902 -0.000) 9.902 9.427 ( -0.000 10.449 -0.000) 10.449 9.626 ( 0.000 -12.238 0.000) 12.238 9.879 ( 0.000 -0.210 0.000) 0.210 9.969 ( -0.000 5.011 -0.000) 5.011 10.164 ( -0.000 1.599 -0.000) 1.599 10.180 ( -0.000 3.665 -0.000) 3.665 10.344 ( 0.000 -2.030 0.000) 2.030 10.485 ( 0.000 -7.755 0.000) 7.755 10.793 ( 0.000 -2.504 0.000) 2.504 10.842 ( -0.000 6.840 -0.000) 6.840 11.048 ( -0.000 4.352 -0.000) 4.352 11.175 ( -0.000 10.578 -0.000) 10.578 11.222 ( -0.000 0.093 -0.000) 0.093 11.290 ( 0.000 -0.790 0.000) 0.790 11.627 ( -0.000 5.126 -0.000) 5.126 11.700 ( 0.000 -1.014 0.000) 1.014 12.016 ( 0.000 -2.630 0.000) 2.630 12.117 ( 0.000 -2.330 0.000) 2.330 12.346 ( -0.000 4.834 -0.000) 4.834 12.445 ( 0.000 -6.398 0.000) 6.398 12.660 ( -0.000 2.892 -0.000) 2.892 12.878 ( 0.000 -2.200 0.000) 2.200 12.961 ( -0.000 3.333 -0.000) 3.333 13.352 ( -0.000 1.916 -0.000) 1.916 13.594 ( 0.000 -6.302 0.000) 6.302 13.670 ( -0.000 7.780 -0.000) 7.780 14.052 ( 0.000 -3.895 0.000) 3.895 14.071 ( -0.000 10.650 -0.000) 10.650 14.374 ( 0.000 -8.175 0.000) 8.175 14.622 ( 0.000 -2.774 0.000) 2.774 15.021 ( 0.000 -2.008 0.000) 2.008 15.581 ( -0.000 3.918 -0.000) 3.918 15.779 ( 0.000 -3.512 0.000) 3.512 18.376 ( 0.000 -6.013 0.000) 6.013 18.608 ( -0.000 14.589 -0.000) 14.589 19.047 ( 0.000 -9.008 0.000) 9.008 19.454 ( 0.000 -3.865 0.000) 3.865 20.320 ( -0.000 11.232 -0.000) 11.232 20.468 ( 0.000 -7.806 0.000) 7.806 ======================= Grid point 24 (15/116) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 1.486 0.000 -2.458) 2.872 2.316 ( -7.576 -0.000 4.248) 8.685 2.431 ( -7.867 -0.000 -3.304) 8.533 2.713 ( 7.837 0.000 12.000) 14.332 2.864 ( 0.635 0.000 1.998) 2.096 2.898 ( 6.303 0.000 7.190) 9.561 3.053 ( -0.537 -0.000 2.151) 2.216 3.282 ( -5.989 -0.000 -9.864) 11.540 3.407 ( -3.578 -0.000 -1.947) 4.073 3.584 ( 10.263 0.000 0.754) 10.290 3.704 ( 0.749 0.000 7.200) 7.239 3.768 ( -1.607 -0.000 0.316) 1.638 3.850 ( -1.788 -0.000 6.668) 6.904 4.006 ( 4.051 0.000 -9.616) 10.434 4.328 ( 8.153 0.000 -3.403) 8.835 4.328 ( -6.638 -0.000 -3.902) 7.700 4.529 ( 7.363 0.000 6.647) 9.919 4.588 ( 7.872 0.000 1.233) 7.968 4.656 ( 7.764 0.000 -5.755) 9.664 4.936 ( -11.894 -0.000 -3.863) 12.506 4.947 ( 0.196 0.000 -0.560) 0.593 5.206 ( -7.124 -0.000 -4.159) 8.249 5.420 ( 0.039 0.000 6.873) 6.873 5.426 ( -3.046 -0.000 -3.897) 4.946 5.503 ( 0.023 0.000 3.378) 3.378 5.687 ( 4.370 0.000 1.009) 4.485 5.771 ( -4.037 -0.000 2.103) 4.552 6.015 ( -8.439 -0.000 -5.911) 10.304 6.050 ( 2.973 0.000 -1.817) 3.485 6.223 ( 1.114 0.000 4.509) 4.644 6.378 ( 6.903 0.000 -0.986) 6.973 6.562 ( -2.593 -0.000 1.056) 2.800 6.601 ( 1.571 0.000 3.790) 4.103 6.730 ( 1.465 0.000 1.985) 2.467 6.863 ( -5.446 -0.000 -0.854) 5.512 6.954 ( 1.305 0.000 -6.501) 6.631 7.014 ( 11.938 0.000 -3.916) 12.564 7.248 ( -11.758 -0.000 5.256) 12.880 7.388 ( 10.911 0.000 -0.783) 10.939 7.399 ( -1.713 -0.000 -4.359) 4.684 7.697 ( -9.133 -0.000 6.106) 10.986 7.783 ( 0.538 0.000 -0.034) 0.539 7.947 ( 2.739 0.000 8.745) 9.164 8.061 ( 3.860 0.000 -2.249) 4.467 8.130 ( -2.358 -0.000 -5.763) 6.227 8.213 ( -8.889 -0.000 -0.320) 8.895 8.251 ( -5.042 -0.000 0.823) 5.109 8.494 ( -0.785 -0.000 -5.676) 5.730 8.598 ( -0.105 -0.000 -3.847) 3.848 8.645 ( -0.159 -0.000 0.008) 0.159 9.108 ( 1.255 0.000 3.376) 3.601 9.641 ( 1.869 0.000 4.477) 4.852 9.713 ( 9.130 0.000 2.390) 9.437 9.983 ( -9.686 -0.000 -1.313) 9.774 9.996 ( 4.047 0.000 -2.753) 4.894 10.074 ( -5.998 -0.000 8.241) 10.193 10.184 ( -0.252 -0.000 -6.026) 6.031 10.287 ( 0.762 0.000 -0.068) 0.765 10.370 ( -0.806 -0.000 -0.358) 0.882 10.781 ( -0.131 -0.000 1.648) 1.653 10.863 ( 6.201 0.000 5.446) 8.254 11.194 ( 1.785 0.000 2.205) 2.837 11.226 ( 0.256 0.000 -3.145) 3.155 11.276 ( 0.565 0.000 -4.410) 4.446 11.555 ( 5.141 0.000 -0.674) 5.185 11.715 ( 2.202 0.000 0.444) 2.247 11.746 ( 3.328 0.000 -1.700) 3.737 11.810 ( 0.603 0.000 -0.272) 0.662 12.053 ( -5.974 -0.000 -3.358) 6.853 12.196 ( 0.575 0.000 -1.450) 1.560 12.504 ( -0.359 -0.000 1.126) 1.182 12.735 ( -1.763 -0.000 1.159) 2.110 12.819 ( 2.155 0.000 -0.093) 2.157 12.995 ( 3.769 0.000 4.888) 6.172 13.442 ( 0.281 0.000 -0.038) 0.283 13.480 ( -9.534 -0.000 0.036) 9.534 13.929 ( 2.459 0.000 2.646) 3.612 14.031 ( -2.393 -0.000 -0.242) 2.405 14.127 ( 1.775 0.000 -7.510) 7.717 14.355 ( -7.111 -0.000 4.360) 8.341 14.410 ( -2.010 -0.000 1.347) 2.420 15.069 ( -1.948 -0.000 0.111) 1.951 15.627 ( 1.505 0.000 0.798) 1.704 15.744 ( -0.063 -0.000 -2.908) 2.908 18.234 ( 4.098 0.000 0.885) 4.192 18.746 ( 2.122 0.000 0.289) 2.141 19.079 ( -1.223 -0.000 -5.152) 5.295 19.358 ( -0.144 -0.000 3.644) 3.646 20.160 ( 5.631 0.000 0.595) 5.662 20.580 ( -1.300 -0.000 2.477) 2.798 ======================= Grid point 25 (16/116) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -0.000 5.030 -0.000) 5.030 2.306 ( -0.000 7.635 -0.000) 7.635 2.340 ( 0.000 -8.377 0.000) 8.377 2.699 ( -0.000 17.096 -0.000) 17.096 2.867 ( 0.000 -4.011 0.000) 4.011 2.959 ( -0.000 10.851 -0.000) 10.851 3.045 ( 0.000 -0.060 0.000) 0.060 3.215 ( 0.000 -3.484 0.000) 3.484 3.265 ( -0.000 10.189 -0.000) 10.189 3.635 ( -0.000 5.347 -0.000) 5.347 3.730 ( -0.000 3.833 -0.000) 3.833 3.791 ( 0.000 -1.178 0.000) 1.178 3.821 ( -0.000 0.435 -0.000) 0.435 4.065 ( 0.000 -8.949 0.000) 8.949 4.202 ( -0.000 6.202 -0.000) 6.202 4.426 ( 0.000 -8.883 0.000) 8.883 4.589 ( -0.000 2.290 -0.000) 2.290 4.632 ( -0.000 5.291 -0.000) 5.291 4.677 ( -0.000 2.593 -0.000) 2.593 4.941 ( 0.000 -1.059 0.000) 1.059 4.942 ( 0.000 -14.494 0.000) 14.494 5.197 ( 0.000 -7.375 0.000) 7.375 5.373 ( -0.000 3.096 -0.000) 3.096 5.444 ( -0.000 1.893 -0.000) 1.893 5.527 ( 0.000 -0.328 0.000) 0.328 5.595 ( -0.000 7.943 -0.000) 7.943 5.858 ( 0.000 -5.816 0.000) 5.816 5.863 ( -0.000 5.360 -0.000) 5.360 6.091 ( 0.000 -3.676 0.000) 3.676 6.324 ( 0.000 -7.455 0.000) 7.455 6.342 ( -0.000 1.251 -0.000) 1.251 6.615 ( -0.000 7.125 -0.000) 7.125 6.628 ( -0.000 1.012 -0.000) 1.012 6.789 ( 0.000 -0.096 0.000) 0.096 6.803 ( 0.000 -12.307 0.000) 12.307 6.923 ( -0.000 1.287 -0.000) 1.287 7.114 ( 0.000 -0.104 0.000) 0.104 7.151 ( -0.000 2.721 -0.000) 2.721 7.308 ( -0.000 8.171 -0.000) 8.171 7.493 ( 0.000 -3.154 0.000) 3.154 7.614 ( -0.000 2.780 -0.000) 2.780 7.731 ( -0.000 7.436 -0.000) 7.436 8.001 ( -0.000 3.883 -0.000) 3.883 8.096 ( 0.000 -2.536 0.000) 2.536 8.097 ( 0.000 -4.325 0.000) 4.325 8.206 ( 0.000 -8.737 0.000) 8.737 8.257 ( 0.000 -0.502 0.000) 0.502 8.470 ( 0.000 -3.068 0.000) 3.068 8.574 ( -0.000 1.055 -0.000) 1.055 8.624 ( -0.000 1.769 -0.000) 1.769 9.222 ( 0.000 -11.117 0.000) 11.117 9.628 ( -0.000 5.777 -0.000) 5.777 9.745 ( -0.000 9.443 -0.000) 9.443 9.858 ( 0.000 -0.001 0.000) 0.001 10.073 ( 0.000 -5.117 0.000) 5.117 10.120 ( -0.000 2.106 -0.000) 2.106 10.166 ( 0.000 -9.778 0.000) 9.778 10.279 ( -0.000 1.871 -0.000) 1.871 10.351 ( -0.000 1.428 -0.000) 1.428 10.783 ( -0.000 0.550 -0.000) 0.550 10.936 ( -0.000 0.099 -0.000) 0.099 11.193 ( -0.000 4.407 -0.000) 4.407 11.206 ( 0.000 -0.715 0.000) 0.715 11.258 ( 0.000 -0.947 0.000) 0.947 11.497 ( -0.000 9.987 -0.000) 9.987 11.719 ( -0.000 1.292 -0.000) 1.292 11.732 ( -0.000 3.055 -0.000) 3.055 11.874 ( 0.000 -5.626 0.000) 5.626 12.047 ( 0.000 -5.135 0.000) 5.135 12.218 ( 0.000 -4.641 0.000) 4.641 12.482 ( -0.000 3.031 -0.000) 3.031 12.722 ( -0.000 1.360 -0.000) 1.360 12.837 ( 0.000 -0.927 0.000) 0.927 13.038 ( -0.000 1.934 -0.000) 1.934 13.402 ( -0.000 1.118 -0.000) 1.118 13.463 ( 0.000 -2.563 0.000) 2.563 13.924 ( -0.000 8.293 -0.000) 8.293 13.979 ( 0.000 -0.435 0.000) 0.435 14.137 ( 0.000 -5.586 0.000) 5.586 14.358 ( -0.000 6.180 -0.000) 6.180 14.418 ( 0.000 -9.279 0.000) 9.279 15.041 ( -0.000 1.961 -0.000) 1.961 15.666 ( 0.000 -3.067 0.000) 3.067 15.703 ( -0.000 3.192 -0.000) 3.192 18.275 ( 0.000 -1.414 0.000) 1.414 18.804 ( 0.000 -5.668 0.000) 5.668 18.979 ( -0.000 8.556 -0.000) 8.556 19.382 ( 0.000 -1.043 0.000) 1.043 20.245 ( 0.000 -5.817 0.000) 5.817 20.552 ( -0.000 4.246 -0.000) 4.246 ======================= Grid point 49 (17/116) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 2.412 0.000 33.139) 33.226 0.808 ( 0.719 0.000 39.067) 39.074 1.144 ( -14.891 -0.000 54.800) 56.787 2.512 ( 4.872 0.000 3.132) 5.792 2.765 ( 7.594 0.000 -15.683) 17.425 2.861 ( 7.540 0.000 4.436) 8.748 2.924 ( -5.070 -0.000 1.637) 5.328 3.200 ( -6.787 -0.000 6.443) 9.358 3.221 ( 13.222 0.000 -5.497) 14.320 3.516 ( 3.272 0.000 -5.040) 6.009 3.677 ( 6.430 0.000 9.356) 11.353 3.746 ( -4.640 -0.000 -5.446) 7.154 3.823 ( -1.814 -0.000 1.035) 2.088 3.980 ( -1.270 -0.000 0.681) 1.441 4.110 ( -16.529 -0.000 3.841) 16.970 4.464 ( -1.684 -0.000 6.147) 6.373 4.539 ( -4.617 -0.000 2.042) 5.048 4.584 ( 3.153 0.000 0.338) 3.171 4.872 ( -2.286 -0.000 -5.037) 5.532 5.049 ( -6.125 -0.000 2.273) 6.533 5.201 ( -2.339 -0.000 0.627) 2.422 5.248 ( 2.423 0.000 -1.326) 2.763 5.372 ( 1.746 0.000 -6.618) 6.844 5.494 ( 10.031 0.000 -7.078) 12.277 5.688 ( 18.811 0.000 -6.555) 19.921 5.749 ( -0.531 -0.000 0.604) 0.804 5.847 ( -3.069 -0.000 -4.520) 5.464 5.988 ( -1.440 -0.000 1.429) 2.029 6.170 ( 2.068 0.000 -4.277) 4.750 6.247 ( -4.531 -0.000 6.551) 7.966 6.318 ( -4.529 -0.000 4.502) 6.386 6.463 ( -1.555 -0.000 -2.802) 3.205 6.520 ( 3.083 0.000 0.198) 3.089 6.645 ( 16.903 0.000 -4.777) 17.565 6.674 ( 2.838 0.000 -0.359) 2.860 6.976 ( -5.548 -0.000 6.330) 8.417 7.111 ( -4.293 -0.000 5.657) 7.101 7.132 ( -1.198 -0.000 -2.676) 2.932 7.570 ( 6.571 0.000 -2.696) 7.102 7.768 ( 0.013 0.000 2.288) 2.288 7.780 ( 1.651 0.000 -2.099) 2.671 7.917 ( 1.407 0.000 -8.584) 8.699 8.081 ( -1.327 -0.000 3.297) 3.554 8.146 ( 6.341 0.000 0.495) 6.360 8.272 ( 5.385 0.000 -2.438) 5.911 8.362 ( -10.102 -0.000 4.647) 11.120 8.425 ( 7.238 0.000 -5.399) 9.030 8.747 ( -1.949 -0.000 -4.081) 4.522 8.780 ( -2.394 -0.000 4.052) 4.707 8.914 ( 7.072 0.000 -4.570) 8.420 9.236 ( -25.386 -0.000 1.097) 25.409 9.240 ( -4.277 -0.000 0.613) 4.320 9.488 ( -21.364 -0.000 -0.160) 21.364 9.696 ( 7.593 0.000 -0.276) 7.598 9.926 ( 1.343 0.000 -8.345) 8.452 10.103 ( -1.970 -0.000 5.312) 5.666 10.197 ( 0.682 0.000 3.646) 3.709 10.385 ( -0.859 -0.000 0.645) 1.074 10.577 ( 0.542 0.000 -0.897) 1.048 10.631 ( -2.334 -0.000 -0.581) 2.405 10.700 ( 1.082 0.000 -1.003) 1.475 10.827 ( 12.473 0.000 1.844) 12.608 10.948 ( -10.408 -0.000 6.426) 12.232 11.297 ( -1.074 -0.000 4.512) 4.638 11.359 ( -2.225 -0.000 2.411) 3.281 11.466 ( -2.587 -0.000 2.375) 3.512 11.742 ( 1.443 0.000 -1.266) 1.920 11.917 ( 0.038 0.000 -4.782) 4.782 11.997 ( -2.187 -0.000 -1.013) 2.410 12.282 ( 2.484 0.000 1.734) 3.029 12.421 ( -2.206 -0.000 -0.957) 2.404 12.443 ( 1.137 0.000 1.495) 1.878 12.907 ( 0.768 0.000 -1.926) 2.074 13.270 ( 0.708 0.000 0.290) 0.765 13.381 ( 2.051 0.000 -2.319) 3.096 13.779 ( -4.569 -0.000 5.390) 7.067 14.029 ( -1.244 -0.000 1.999) 2.354 14.102 ( 6.917 0.000 -0.610) 6.944 14.224 ( 86.752 0.000 -2.644) 86.792 14.513 ( 2.800 0.000 -0.645) 2.874 14.943 ( 0.297 0.000 -0.307) 0.427 14.964 ( -18.871 -0.000 -0.107) 18.871 15.185 ( 1.223 0.000 -0.070) 1.225 15.486 ( 0.413 0.000 -4.144) 4.165 18.378 ( 0.690 0.000 0.629) 0.934 18.649 ( -46.995 -0.000 2.227) 47.048 18.927 ( -16.608 -0.000 -3.270) 16.927 19.664 ( 2.796 0.000 -2.775) 3.939 19.757 ( -14.344 -0.000 8.865) 16.863 20.450 ( 2.619 0.000 0.040) 2.619 ======================= Grid point 50 (18/116) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 11.801 8.143 33.457) 36.399 1.220 ( 11.468 -13.994 27.707) 33.092 1.949 ( 11.702 -34.119 37.913) 52.330 2.425 ( 1.951 16.199 -7.358) 17.899 2.710 ( 5.608 3.535 -8.526) 10.800 2.778 ( 1.052 10.729 11.738) 15.937 2.991 ( -1.768 -0.641 2.043) 2.776 3.256 ( 2.332 -4.997 1.845) 5.815 3.317 ( 7.799 9.545 -4.628) 13.166 3.398 ( 3.014 2.279 3.780) 5.345 3.651 ( -7.880 1.870 3.143) 8.688 3.881 ( -10.345 -10.908 -4.766) 15.771 3.917 ( -2.290 -6.527 -2.042) 7.212 3.971 ( 0.364 -13.674 4.686) 14.459 3.988 ( -2.818 2.227 1.447) 3.873 4.475 ( 3.950 4.801 -2.624) 6.748 4.490 ( -3.666 5.432 8.873) 11.031 4.577 ( -1.343 0.041 -1.711) 2.175 4.795 ( -1.463 -3.105 -5.606) 6.574 4.991 ( -4.171 -2.504 -6.003) 7.727 5.093 ( 0.286 10.432 0.800) 10.466 5.297 ( 1.368 0.278 -5.919) 6.081 5.408 ( 9.483 -2.892 -3.077) 10.381 5.583 ( 6.478 -2.950 -0.848) 7.168 5.704 ( -1.793 4.970 0.544) 5.311 5.754 ( -1.651 -2.302 -2.943) 4.085 5.812 ( -2.801 -4.093 -2.711) 5.652 6.011 ( -3.847 -1.288 3.792) 5.553 6.132 ( 1.095 -1.115 -7.690) 7.848 6.254 ( 4.403 3.039 2.251) 5.804 6.279 ( -9.053 -2.377 1.761) 9.524 6.383 ( 3.440 5.069 1.480) 6.303 6.581 ( -4.237 -0.383 4.537) 6.220 6.695 ( 1.855 1.454 1.857) 3.000 6.781 ( 13.182 2.963 -2.291) 13.703 6.863 ( -5.150 2.861 2.229) 6.299 7.066 ( -0.010 1.965 -0.989) 2.200 7.155 ( -2.427 -4.234 2.525) 5.495 7.526 ( 0.868 4.842 -2.410) 5.478 7.720 ( -2.490 8.851 -0.662) 9.219 7.783 ( 0.918 -1.713 -3.852) 4.315 7.837 ( 1.314 1.185 -0.903) 1.986 7.984 ( -4.987 7.885 -2.465) 9.650 8.160 ( 0.548 2.875 0.794) 3.032 8.274 ( -2.083 2.890 2.049) 4.110 8.396 ( 5.555 -2.333 -1.740) 6.272 8.426 ( 0.737 0.880 -2.563) 2.808 8.674 ( 0.816 2.798 -3.950) 4.909 8.797 ( -5.628 -4.511 2.524) 7.642 8.983 ( 4.874 -3.239 -3.801) 6.978 9.123 ( -9.745 -1.893 -0.580) 9.944 9.207 ( 0.955 2.340 0.720) 2.628 9.383 ( -10.702 -12.739 2.381) 16.808 9.740 ( 6.006 5.530 -4.147) 9.157 9.947 ( 3.728 -5.164 -0.515) 6.390 10.125 ( 1.343 2.436 1.439) 3.132 10.241 ( -0.343 -2.304 2.582) 3.478 10.346 ( -2.759 2.971 1.984) 4.514 10.568 ( -1.628 -0.711 0.857) 1.972 10.632 ( -0.507 -1.946 -0.706) 2.131 10.736 ( 3.248 -3.243 -1.693) 4.892 10.942 ( -6.613 -4.188 7.624) 10.927 11.010 ( 11.096 -0.630 2.041) 11.300 11.317 ( -0.756 2.494 2.453) 3.579 11.352 ( -2.464 -0.891 3.627) 4.474 11.453 ( 0.801 1.137 1.372) 1.954 11.762 ( 2.349 0.067 -1.057) 2.577 11.887 ( 0.854 -3.760 -4.844) 6.191 12.040 ( -4.555 -10.568 -2.975) 11.887 12.315 ( 1.214 2.549 2.355) 3.676 12.352 ( -0.874 3.241 -0.768) 3.443 12.504 ( 2.595 -3.607 -0.414) 4.463 12.896 ( 1.253 0.994 -1.073) 1.926 13.253 ( -4.801 -0.549 0.493) 4.857 13.389 ( 2.398 0.052 -1.369) 2.762 13.771 ( -2.604 0.502 3.146) 4.115 14.011 ( 1.087 4.470 2.534) 5.252 14.085 ( -3.213 0.564 0.265) 3.272 14.215 ( 2.546 33.679 10.872) 35.482 14.543 ( 1.700 0.775 0.320) 1.895 14.909 ( 14.777 10.358 -1.777) 18.133 14.996 ( -1.984 -4.418 -1.246) 5.001 15.447 ( 5.530 -2.146 -8.038) 9.989 15.507 ( 10.245 -14.217 -14.696) 22.870 18.216 ( -12.900 -3.717 10.509) 17.048 18.611 ( -12.792 -20.394 -4.046) 24.411 18.857 ( 3.325 6.819 3.597) 8.396 19.640 ( -7.878 4.013 4.206) 9.791 19.778 ( 1.997 -9.882 -0.901) 10.122 20.498 ( 1.872 -0.955 -0.535) 2.169 ======================= Grid point 51 (19/116) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 11.006 4.057 24.522) 27.183 1.793 ( 14.885 -11.516 10.976) 21.787 2.182 ( -0.216 6.629 -0.052) 6.632 2.460 ( 2.969 10.844 -0.079) 11.243 2.760 ( 2.178 3.633 3.535) 5.517 2.889 ( 7.372 -4.713 13.699) 16.255 3.029 ( 2.771 -13.419 1.457) 13.780 3.242 ( 0.533 -1.521 2.125) 2.667 3.365 ( 3.695 8.063 4.379) 9.891 3.426 ( 1.096 2.745 3.243) 4.388 3.534 ( -7.069 -2.180 -3.868) 8.347 3.763 ( -10.000 -3.269 0.990) 10.567 3.886 ( -2.853 5.469 4.134) 7.426 4.101 ( -0.123 -12.293 -5.912) 13.641 4.187 ( -0.453 -8.175 5.473) 9.848 4.359 ( 2.066 5.801 -3.948) 7.315 4.503 ( -1.534 1.324 0.164) 2.033 4.571 ( -1.127 -5.593 1.741) 5.965 4.868 ( 6.081 -0.387 0.021) 6.094 4.908 ( -0.087 -2.165 -4.982) 5.433 4.969 ( -1.994 1.260 -5.561) 6.041 5.245 ( 2.004 2.134 -6.106) 6.771 5.491 ( -5.312 13.515 -1.864) 14.641 5.513 ( 11.991 2.320 -3.490) 12.702 5.661 ( -8.555 -2.000 4.570) 9.904 5.782 ( -6.845 -6.844 1.119) 9.744 5.835 ( 4.517 -2.957 -0.120) 5.400 5.936 ( -7.900 1.313 1.861) 8.222 6.123 ( -2.719 -2.081 -3.025) 4.569 6.185 ( -5.501 1.207 -1.909) 5.946 6.326 ( 9.723 2.114 -0.644) 9.971 6.393 ( -0.342 1.709 5.925) 6.176 6.558 ( -5.823 -1.408 5.792) 8.333 6.711 ( 1.595 1.671 2.458) 3.373 6.825 ( 0.035 -0.304 -1.570) 1.600 6.895 ( 6.112 -3.100 -1.573) 7.032 7.073 ( 3.973 -0.256 -2.814) 4.875 7.202 ( 0.045 -3.538 -0.133) 3.541 7.459 ( 2.636 6.968 3.001) 8.032 7.608 ( 1.731 2.661 -1.547) 3.531 7.752 ( -6.056 8.456 -3.428) 10.951 7.784 ( -2.753 -2.825 -3.006) 4.959 7.815 ( 4.342 4.280 -3.267) 6.917 8.078 ( -5.270 3.957 0.085) 6.591 8.244 ( 1.083 1.276 -0.944) 1.921 8.352 ( -2.019 3.580 -0.988) 4.227 8.435 ( 1.969 -0.260 -4.891) 5.279 8.632 ( 2.789 2.870 -1.825) 4.399 8.747 ( -8.132 2.872 -2.204) 8.902 9.027 ( -1.961 -7.283 -0.218) 7.545 9.110 ( 0.232 -2.409 2.858) 3.745 9.230 ( 2.356 -2.325 2.455) 4.121 9.512 ( -1.794 -6.757 -0.284) 6.997 9.665 ( 3.417 3.454 -3.042) 5.732 10.062 ( -1.150 6.937 3.773) 7.979 10.081 ( 4.425 -1.083 0.838) 4.632 10.303 ( 1.838 -2.700 -1.486) 3.588 10.327 ( 0.928 -1.525 3.286) 3.739 10.565 ( -2.315 -0.546 1.582) 2.857 10.640 ( -3.770 -3.398 -2.064) 5.478 10.802 ( 1.762 -1.357 -0.745) 2.345 10.997 ( -4.910 -2.709 7.068) 9.023 11.127 ( 6.113 0.342 0.005) 6.123 11.277 ( 0.295 2.004 0.709) 2.147 11.390 ( -1.723 -2.000 4.143) 4.912 11.496 ( 2.763 -1.455 2.151) 3.792 11.776 ( 3.010 -1.876 -2.772) 4.501 11.969 ( 2.906 -6.203 -2.539) 7.306 12.083 ( -5.737 -6.733 -4.116) 9.757 12.267 ( 2.613 3.878 -0.813) 4.746 12.334 ( -2.199 -0.544 3.314) 4.014 12.595 ( 4.556 -1.668 -0.392) 4.867 12.895 ( 0.869 0.754 0.883) 1.450 13.176 ( -9.080 0.034 0.280) 9.084 13.406 ( 2.047 2.314 1.449) 3.412 13.753 ( 0.257 1.045 -1.301) 1.688 13.900 ( -6.742 12.594 8.102) 16.423 13.996 ( 3.722 6.833 3.553) 8.553 14.069 ( -2.562 -1.357 -1.246) 3.156 14.502 ( -3.579 4.549 0.865) 5.853 14.901 ( 5.104 6.123 0.521) 7.988 15.009 ( 1.939 -0.289 -2.296) 3.019 15.453 ( 6.422 -0.469 -7.425) 9.828 15.632 ( 7.359 -5.684 -12.929) 15.926 18.267 ( -8.179 -6.063 7.119) 12.424 18.706 ( -0.150 -10.173 -3.247) 10.680 18.875 ( 2.218 1.335 4.903) 5.544 19.489 ( -9.512 7.050 5.507) 13.058 19.965 ( 4.735 -11.000 -3.050) 12.358 20.501 ( 1.408 2.838 -0.126) 3.171 ======================= Grid point 52 (20/116) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 6.365 9.031 14.944) 18.585 1.890 ( 5.871 1.651 -10.832) 12.431 2.309 ( 4.545 5.185 2.581) 7.362 2.454 ( -3.411 -7.500 10.165) 13.085 2.671 ( -3.253 7.017 0.851) 7.781 2.799 ( -0.364 10.594 -0.484) 10.612 3.193 ( -2.091 -6.913 -3.870) 8.193 3.254 ( -4.009 -3.178 -4.172) 6.601 3.290 ( 0.854 2.256 -5.244) 5.772 3.415 ( 4.127 9.426 5.088) 11.479 3.631 ( -4.932 2.042 3.632) 6.456 3.694 ( -1.180 -0.935 1.621) 2.213 3.889 ( -6.417 -4.415 5.987) 9.824 4.182 ( 2.470 -2.438 -6.486) 7.356 4.267 ( 2.352 0.919 3.375) 4.215 4.404 ( -3.473 -3.246 0.655) 4.799 4.458 ( 3.323 -6.518 -0.049) 7.316 4.667 ( 0.970 -2.526 8.048) 8.491 4.773 ( -4.358 6.942 -2.250) 8.500 4.934 ( 3.493 -2.515 -5.057) 6.640 5.032 ( 4.562 -3.680 -1.258) 5.994 5.188 ( -0.744 -1.238 -3.595) 3.874 5.359 ( 7.918 -2.520 -0.354) 8.317 5.544 ( -2.252 2.591 -0.940) 3.559 5.632 ( 0.124 0.379 3.665) 3.687 5.694 ( -11.767 4.774 0.496) 12.708 5.825 ( -3.242 1.234 1.465) 3.766 5.955 ( -3.421 -3.021 4.354) 6.308 6.071 ( -2.168 4.363 1.484) 5.093 6.170 ( 4.540 -7.569 -6.261) 10.821 6.342 ( -3.219 1.183 2.886) 4.482 6.468 ( -2.141 -0.241 8.507) 8.776 6.571 ( 2.291 -2.370 -1.147) 3.491 6.725 ( 0.310 2.833 3.531) 4.538 6.797 ( -0.301 -0.044 -2.876) 2.892 6.996 ( 7.150 -2.936 -4.795) 9.096 7.041 ( 3.542 5.951 -6.929) 9.796 7.265 ( -0.945 -5.299 0.282) 5.390 7.449 ( -1.872 3.903 3.357) 5.478 7.543 ( -0.876 5.124 -3.605) 6.327 7.608 ( 2.204 2.371 -2.229) 3.930 7.769 ( -3.114 -4.550 -2.098) 5.899 7.797 ( 6.737 2.089 -2.395) 7.449 7.987 ( -1.583 2.963 2.030) 3.925 8.229 ( 0.272 0.544 -3.617) 3.668 8.323 ( 2.425 -3.651 -0.468) 4.408 8.382 ( -1.020 2.481 -4.822) 5.518 8.605 ( -3.526 -0.865 -3.706) 5.188 8.620 ( 0.852 1.278 -0.036) 1.537 9.097 ( -6.314 -5.280 2.129) 8.501 9.156 ( 3.751 3.157 5.342) 7.251 9.362 ( 3.222 2.218 0.106) 3.913 9.457 ( 2.442 -3.215 -2.955) 5.003 9.765 ( 2.959 -5.894 3.102) 7.288 9.949 ( -2.433 7.283 3.067) 8.268 10.114 ( 0.059 2.662 1.942) 3.296 10.327 ( -1.324 -1.009 1.643) 2.338 10.453 ( 8.128 -1.903 0.541) 8.366 10.532 ( -6.182 0.728 -1.023) 6.308 10.595 ( -1.833 -1.702 -3.749) 4.507 10.818 ( 1.565 0.433 0.409) 1.675 11.004 ( -5.282 1.046 5.551) 7.734 11.172 ( 1.207 -1.159 -0.271) 1.695 11.269 ( 0.796 1.352 -0.328) 1.603 11.428 ( -4.478 -2.958 4.255) 6.850 11.570 ( 1.763 -0.858 2.531) 3.202 11.856 ( 3.076 -4.033 -3.700) 6.278 11.989 ( -4.249 -3.517 -3.278) 6.416 12.081 ( 2.536 -1.943 -1.818) 3.675 12.257 ( 1.861 2.870 0.318) 3.436 12.408 ( 1.412 -5.040 4.242) 6.738 12.619 ( 1.666 3.077 0.248) 3.507 12.903 ( -0.369 1.129 1.682) 2.059 13.053 ( -8.101 0.354 -0.830) 8.151 13.369 ( -0.388 6.629 3.267) 7.400 13.719 ( 1.748 3.494 -5.497) 6.744 13.802 ( -4.037 -2.818 2.465) 5.506 13.978 ( 2.821 3.964 1.021) 4.971 14.087 ( -0.352 -3.262 0.940) 3.413 14.362 ( -6.008 5.415 0.977) 8.146 14.869 ( -0.474 1.793 -0.958) 2.088 15.008 ( 6.067 3.991 -3.595) 8.103 15.493 ( 6.613 -2.521 -6.734) 9.770 15.661 ( 5.099 -2.637 -9.735) 11.301 18.290 ( -5.314 -1.599 5.462) 7.786 18.842 ( 1.054 -7.257 -1.652) 7.517 18.925 ( -1.121 -1.764 3.415) 4.004 19.356 ( -5.385 5.751 11.115) 13.625 20.124 ( 3.932 -6.823 -4.333) 8.988 20.457 ( 1.806 5.168 0.210) 5.479 ======================= Grid point 53 (21/116) ======================= q-point: (-0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -3.935 19.315 12.148) 23.154 1.874 ( 6.918 -2.027 -10.481) 12.721 2.121 ( -19.257 20.042 -2.393) 27.897 2.306 ( -5.971 -4.970 0.174) 7.770 2.654 ( 6.035 -5.549 -3.955) 9.103 2.836 ( -1.313 -0.043 -3.439) 3.682 3.129 ( -11.824 10.472 0.149) 15.796 3.253 ( 4.792 -4.225 -6.565) 9.160 3.303 ( 3.655 9.290 -3.333) 10.525 3.356 ( -1.821 -3.110 4.009) 5.391 3.461 ( -2.301 8.228 4.448) 9.632 3.639 ( -7.400 0.541 2.841) 7.945 3.862 ( -2.254 -0.813 2.018) 3.133 4.055 ( 0.668 8.068 -7.106) 10.772 4.258 ( -5.855 -0.895 -4.693) 7.557 4.407 ( -1.057 -4.716 5.527) 7.342 4.632 ( 1.474 -2.799 4.778) 5.731 4.744 ( 2.845 -1.133 7.119) 7.750 4.887 ( 4.477 -9.919 1.187) 10.947 4.991 ( 6.389 -0.137 -5.380) 8.353 5.093 ( 0.745 0.635 -0.782) 1.253 5.265 ( -0.667 -11.327 3.671) 11.925 5.348 ( -5.112 7.978 1.540) 9.600 5.543 ( -7.142 0.643 5.775) 9.207 5.595 ( 10.910 -4.554 -4.410) 12.618 5.678 ( 0.072 -3.489 -3.024) 4.618 5.797 ( 2.039 4.744 2.501) 5.738 5.951 ( -5.723 0.230 5.824) 8.169 6.008 ( -1.820 -1.447 -1.721) 2.893 6.275 ( 1.646 2.685 -0.143) 3.152 6.285 ( -0.363 -1.218 -1.047) 1.647 6.463 ( -2.976 1.854 6.188) 7.112 6.639 ( -2.213 3.953 1.190) 4.684 6.686 ( 1.615 2.496 1.618) 3.385 6.800 ( 1.766 -2.175 -3.535) 4.510 6.886 ( -3.725 3.446 -4.853) 7.022 7.077 ( 6.978 -3.856 -7.163) 10.718 7.256 ( -7.223 4.315 -1.323) 8.517 7.409 ( 0.094 -7.150 0.551) 7.172 7.472 ( 1.133 1.308 -2.686) 3.195 7.612 ( 5.197 0.745 -3.239) 6.169 7.812 ( 0.626 -3.836 -0.279) 3.897 7.890 ( 6.964 -2.142 -0.093) 7.286 7.967 ( 2.258 1.767 0.687) 2.948 8.213 ( 2.063 -1.495 -3.092) 4.006 8.287 ( -2.303 1.651 -2.156) 3.561 8.491 ( 6.620 -9.858 -1.203) 11.935 8.580 ( 2.623 0.698 -4.488) 5.245 8.646 ( -1.930 -5.159 2.227) 5.941 9.085 ( -1.856 1.144 2.424) 3.260 9.178 ( -0.256 4.668 -2.657) 5.377 9.235 ( 0.177 5.582 3.874) 6.797 9.679 ( 5.102 -10.477 4.816) 12.609 9.805 ( -0.230 7.363 3.807) 8.292 9.948 ( 0.157 -4.091 4.408) 6.016 10.058 ( -2.476 4.262 0.986) 5.027 10.307 ( -5.525 -1.010 -2.364) 6.094 10.413 ( -1.228 4.809 0.352) 4.976 10.501 ( 1.250 2.491 -1.210) 3.038 10.634 ( 5.301 -3.283 -3.798) 7.301 10.830 ( 2.338 3.175 0.817) 4.027 10.949 ( -4.783 2.144 2.051) 5.628 11.174 ( -3.669 -0.510 0.805) 3.791 11.269 ( -0.165 -1.175 1.364) 1.808 11.428 ( -7.744 -1.441 4.595) 9.119 11.582 ( -1.635 2.338 1.867) 3.409 11.807 ( -4.252 -0.918 -3.681) 5.699 12.066 ( 3.437 -5.092 -2.546) 6.650 12.120 ( 0.454 -1.324 0.209) 1.415 12.226 ( 2.277 4.615 -0.242) 5.152 12.459 ( -1.833 5.188 6.201) 8.290 12.650 ( 1.162 -4.269 1.873) 4.804 12.857 ( -1.104 2.186 -1.528) 2.886 13.007 ( -0.299 -2.970 -3.333) 4.475 13.296 ( 0.225 5.223 0.809) 5.290 13.603 ( -0.337 4.675 -7.487) 8.833 13.851 ( -5.529 -7.580 1.056) 9.441 13.961 ( 0.498 4.629 2.697) 5.380 14.100 ( -1.032 1.313 0.672) 1.800 14.331 ( 2.810 -4.677 -0.671) 5.497 14.828 ( -3.572 -2.207 -2.668) 4.975 14.976 ( 7.559 6.551 -4.505) 10.971 15.548 ( 3.538 -2.499 -4.690) 6.384 15.676 ( 6.448 -1.586 -9.243) 11.381 18.298 ( -2.392 0.339 4.919) 5.480 18.801 ( -10.833 -1.102 -0.897) 10.926 19.015 ( 4.260 -2.042 4.426) 6.473 19.436 ( 0.470 -2.150 15.518) 15.673 20.135 ( -0.024 4.220 -3.829) 5.698 20.444 ( 5.180 1.276 -0.846) 5.402 ======================= Grid point 54 (22/116) ======================= q-point: (-0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -13.070 26.359 12.815) 32.091 1.431 ( -20.863 28.625 -1.697) 35.462 2.035 ( -3.843 -5.662 -2.165) 7.177 2.311 ( -18.169 3.118 0.693) 18.447 2.487 ( -13.838 8.265 4.687) 16.786 2.734 ( 6.183 -1.322 -15.433) 16.678 2.873 ( 8.891 0.157 -2.588) 9.261 3.203 ( -2.928 3.019 -1.534) 4.476 3.315 ( 1.554 -4.465 -3.679) 5.990 3.380 ( -5.016 -4.957 0.952) 7.116 3.413 ( 9.510 10.387 3.925) 14.619 3.791 ( 0.723 -10.054 6.728) 12.119 3.894 ( 0.414 3.974 4.134) 5.749 3.981 ( 5.551 -2.598 -1.422) 6.292 4.155 ( -1.056 1.792 -6.835) 7.145 4.473 ( -7.686 -2.010 6.823) 10.472 4.733 ( 6.515 -1.726 2.072) 7.052 4.786 ( -11.231 1.321 5.984) 12.794 4.811 ( -10.106 7.233 -1.011) 12.469 5.047 ( 2.131 -7.042 -2.276) 7.701 5.106 ( 3.134 2.283 2.166) 4.442 5.325 ( 3.583 -1.078 -2.524) 4.513 5.453 ( 1.761 -4.155 -1.176) 4.663 5.517 ( -4.152 -1.137 4.763) 6.420 5.591 ( 2.141 6.746 -2.065) 7.372 5.687 ( -3.797 -2.341 -0.345) 4.474 5.794 ( 7.554 3.238 -2.527) 8.598 5.995 ( 0.625 -0.392 6.955) 6.994 6.058 ( 4.428 -4.481 -4.778) 7.907 6.205 ( -2.470 -3.494 -3.391) 5.460 6.322 ( 3.427 1.332 1.951) 4.162 6.455 ( -2.212 4.391 3.784) 6.204 6.495 ( -9.695 2.537 1.451) 10.126 6.602 ( -1.593 4.304 -1.100) 4.720 6.811 ( -1.800 -3.170 -0.398) 3.667 6.897 ( 2.123 -3.360 -1.059) 4.113 7.059 ( -2.078 3.388 -7.677) 8.645 7.150 ( -0.304 -0.828 -0.459) 0.995 7.508 ( 2.940 -5.954 -6.278) 9.138 7.551 ( 2.072 -5.352 4.602) 7.356 7.649 ( 6.103 -1.364 -2.586) 6.767 7.887 ( 3.334 -3.270 0.269) 4.678 7.961 ( 0.144 -2.231 2.708) 3.512 8.008 ( 6.307 0.782 -4.907) 8.029 8.248 ( 1.365 -0.721 -0.342) 1.581 8.269 ( 5.402 -2.686 -5.745) 8.331 8.531 ( -5.477 0.275 1.117) 5.596 8.693 ( 7.728 -4.495 -2.397) 9.256 8.737 ( 0.350 -5.454 0.660) 5.504 9.022 ( 4.437 11.388 -3.965) 12.849 9.123 ( 0.489 -6.111 1.994) 6.447 9.260 ( -4.642 -2.483 6.593) 8.437 9.735 ( 1.451 8.643 6.316) 10.803 9.910 ( -3.860 -2.990 7.033) 8.561 9.943 ( -1.853 -2.998 2.757) 4.475 10.044 ( 3.966 0.989 -0.257) 4.096 10.204 ( -4.590 1.236 -2.887) 5.562 10.380 ( -0.253 1.256 0.575) 1.404 10.472 ( 2.598 0.187 -2.671) 3.731 10.681 ( 4.998 1.989 -2.730) 6.032 10.784 ( -1.153 4.812 1.590) 5.198 10.864 ( -1.662 4.045 -2.020) 4.818 11.135 ( -6.454 -0.331 3.135) 7.183 11.298 ( -3.511 -1.547 3.260) 5.034 11.379 ( -6.833 -0.098 4.494) 8.179 11.524 ( -3.162 2.130 1.138) 3.979 11.765 ( -2.291 -0.944 -0.893) 2.634 12.041 ( -4.135 1.857 -3.317) 5.617 12.171 ( 2.593 -2.388 0.269) 3.535 12.203 ( 5.855 5.979 0.275) 8.373 12.446 ( -0.962 1.006 5.721) 5.888 12.634 ( -5.231 3.853 0.596) 6.524 12.878 ( 2.464 -2.544 -1.047) 3.693 13.011 ( -0.160 -5.567 -11.138) 12.453 13.246 ( 2.502 3.825 -0.445) 4.592 13.467 ( 0.103 4.330 -5.933) 7.346 13.852 ( -6.661 1.080 4.236) 7.967 13.947 ( -2.893 -4.316 2.108) 5.607 14.108 ( 1.843 -0.466 -0.113) 1.905 14.439 ( 5.355 -2.446 -2.327) 6.330 14.821 ( -5.549 -7.939 -1.883) 9.867 14.944 ( 8.769 5.231 -4.452) 11.139 15.554 ( 0.546 -0.148 -3.338) 3.386 15.686 ( 8.060 1.092 -11.525) 14.106 18.293 ( -4.363 0.864 4.836) 6.570 18.719 ( -7.522 -5.152 0.745) 9.148 19.161 ( 6.164 -1.826 8.451) 10.618 19.626 ( -1.188 -4.124 15.392) 15.979 19.973 ( -2.063 10.658 -2.661) 11.177 20.504 ( 8.101 0.981 -2.214) 8.456 ======================= Grid point 55 (23/116) ======================= q-point: (-0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -22.630 22.419 13.020) 34.413 0.782 ( -16.422 23.731 19.846) 35.024 1.422 ( -37.901 35.897 34.057) 62.330 2.423 ( -0.032 -13.602 -4.483) 14.322 2.518 ( 5.179 -10.093 1.126) 11.400 2.801 ( 4.884 -8.738 -6.547) 11.961 2.948 ( 11.566 3.322 -8.522) 14.746 3.156 ( 1.522 0.427 1.228) 2.002 3.284 ( -0.344 6.763 -2.784) 7.322 3.396 ( 2.908 -6.709 -2.807) 7.832 3.531 ( -0.726 -3.871 12.928) 13.515 3.823 ( 7.335 8.547 -1.313) 11.340 3.958 ( 0.044 1.378 -0.456) 1.452 4.004 ( 0.765 8.880 -0.534) 8.929 4.150 ( -6.303 -10.977 5.560) 13.825 4.442 ( -6.973 -0.116 7.175) 10.006 4.603 ( -12.969 -1.066 0.724) 13.033 4.616 ( -5.050 7.115 1.323) 8.825 4.866 ( 3.129 -4.419 -1.612) 5.650 5.090 ( -6.661 -3.647 2.355) 7.951 5.155 ( 3.169 -1.396 -0.948) 3.590 5.358 ( 8.127 4.837 -6.118) 11.264 5.403 ( -4.817 4.553 -0.445) 6.643 5.473 ( 2.637 -0.129 0.710) 2.734 5.514 ( 4.069 5.697 0.507) 7.019 5.714 ( 1.728 -2.727 -1.328) 3.491 5.856 ( 1.532 -2.873 0.803) 3.353 6.016 ( 1.333 3.891 1.820) 4.498 6.137 ( 4.040 -3.140 -1.512) 5.335 6.237 ( -3.349 -4.242 0.054) 5.405 6.344 ( -2.984 3.497 2.995) 5.487 6.377 ( -6.501 -1.399 4.305) 7.922 6.448 ( 3.770 -4.646 0.196) 5.987 6.594 ( 1.172 -2.410 -1.525) 3.083 6.767 ( -3.997 3.890 -6.946) 8.908 6.912 ( -0.270 -2.195 0.518) 2.272 7.030 ( 1.262 -5.026 1.434) 5.377 7.147 ( -2.723 1.048 3.692) 4.705 7.531 ( 4.156 1.309 -3.687) 5.708 7.687 ( 3.232 -5.697 -1.418) 6.702 7.761 ( 3.548 -3.739 1.636) 5.408 7.940 ( 0.454 -0.226 -4.365) 4.394 8.024 ( 4.851 -4.318 -2.866) 7.099 8.036 ( 1.545 -0.852 3.609) 4.017 8.267 ( 2.745 -0.085 -3.090) 4.134 8.342 ( 7.475 -1.848 -5.011) 9.187 8.461 ( -7.951 0.418 3.422) 8.666 8.757 ( -0.512 -1.705 -0.380) 1.820 8.801 ( 1.199 0.812 1.332) 1.968 8.909 ( 7.262 6.131 -6.226) 11.362 9.255 ( -6.515 -6.900 3.019) 9.959 9.322 ( 0.750 -5.640 2.803) 6.342 9.679 ( 1.901 5.596 -0.162) 5.912 9.844 ( -10.039 -0.935 -0.749) 10.110 10.001 ( -0.098 1.164 -5.293) 5.420 10.098 ( -1.796 -0.473 5.407) 5.717 10.149 ( 0.940 0.050 2.035) 2.242 10.376 ( 0.560 -1.283 -1.397) 1.978 10.529 ( 3.513 -3.422 -0.067) 4.905 10.671 ( 2.060 2.507 -0.075) 3.246 10.712 ( 0.639 4.669 -0.474) 4.737 10.780 ( 0.816 3.490 -1.640) 3.941 11.057 ( -10.806 1.834 5.001) 12.047 11.286 ( -4.471 -0.805 3.862) 5.963 11.362 ( -1.757 0.075 2.321) 2.912 11.484 ( -4.357 -0.650 1.968) 4.825 11.751 ( -0.256 0.261 -0.641) 0.738 11.947 ( -1.619 1.443 -2.521) 3.325 12.159 ( 6.182 11.556 -3.604) 13.592 12.233 ( 2.209 -1.503 0.560) 2.730 12.430 ( -7.019 -0.909 -2.868) 7.636 12.513 ( -3.495 4.421 0.122) 5.637 12.877 ( 3.794 -1.215 -1.429) 4.233 13.074 ( 8.627 -6.339 12.562) 16.505 13.250 ( 4.920 1.964 0.801) 5.358 13.404 ( 3.296 3.314 -0.363) 4.688 13.799 ( -5.534 1.083 5.389) 7.799 14.004 ( -2.599 -4.538 1.876) 5.555 14.124 ( 0.786 0.111 -1.023) 1.295 14.485 ( 4.185 0.391 -2.043) 4.674 14.875 ( -4.976 -9.309 -0.689) 10.578 14.974 ( 4.948 -1.244 -2.182) 5.549 15.516 ( 3.036 3.899 -5.468) 7.370 15.569 ( 3.629 11.447 -14.261) 18.643 18.289 ( -7.334 -5.916 5.362) 10.841 18.767 ( -0.976 -5.019 1.546) 5.342 19.330 ( -0.040 -6.291 -4.422) 7.690 19.731 ( -3.229 3.627 -1.420) 5.059 19.817 ( -6.401 0.277 12.238) 13.814 20.531 ( 8.071 6.374 -7.617) 12.798 ======================= Grid point 57 (24/116) ======================= q-point: ( 0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 16.580 0.000 25.474) 30.394 1.725 ( 17.309 0.000 30.953) 35.464 2.163 ( 21.782 0.000 29.012) 36.278 2.402 ( -9.955 -0.000 -8.604) 13.157 2.792 ( -8.498 -0.000 5.983) 10.392 2.833 ( 13.238 0.000 1.401) 13.312 3.214 ( 6.997 0.000 2.049) 7.291 3.297 ( 1.777 0.000 6.289) 6.535 3.327 ( -3.666 -0.000 -2.631) 4.513 3.449 ( -4.706 -0.000 -8.724) 9.913 3.634 ( 12.735 0.000 -4.829) 13.619 3.688 ( -6.687 -0.000 14.428) 15.903 3.826 ( -7.458 -0.000 6.628) 9.978 3.831 ( -4.180 -0.000 -5.177) 6.654 3.999 ( 0.824 0.000 0.082) 0.828 4.430 ( -3.933 -0.000 -7.728) 8.672 4.539 ( 1.371 0.000 -2.880) 3.189 4.606 ( -5.961 -0.000 -10.320) 11.918 4.673 ( -0.846 -0.000 9.474) 9.511 4.860 ( -2.353 -0.000 -4.504) 5.082 5.205 ( 1.350 0.000 -5.915) 6.067 5.353 ( 4.409 0.000 0.922) 4.504 5.473 ( 8.094 0.000 3.813) 8.947 5.631 ( 8.694 0.000 -5.562) 10.321 5.662 ( -6.151 -0.000 -5.617) 8.330 5.718 ( -0.545 -0.000 -0.582) 0.798 5.726 ( -2.103 -0.000 0.637) 2.198 6.004 ( -0.846 -0.000 -9.878) 9.914 6.029 ( -3.617 -0.000 8.808) 9.522 6.182 ( -5.928 -0.000 -0.159) 5.931 6.404 ( 9.502 0.000 1.850) 9.681 6.487 ( 3.197 0.000 0.276) 3.209 6.526 ( -4.439 -0.000 1.318) 4.631 6.729 ( 2.684 0.000 -2.452) 3.636 6.787 ( 0.574 0.000 -3.188) 3.239 6.914 ( -6.140 -0.000 3.337) 6.988 7.043 ( -1.041 -0.000 -3.659) 3.804 7.068 ( -4.335 -0.000 3.804) 5.767 7.533 ( 0.311 0.000 -0.527) 0.612 7.703 ( -2.962 -0.000 -5.872) 6.577 7.831 ( -0.782 -0.000 2.885) 2.989 7.841 ( -0.229 -0.000 1.828) 1.843 7.944 ( -5.988 -0.000 -4.191) 7.309 8.127 ( -8.994 -0.000 1.212) 9.075 8.343 ( 5.822 0.000 -2.610) 6.380 8.366 ( -0.502 -0.000 -4.134) 4.165 8.487 ( 3.604 0.000 2.029) 4.136 8.634 ( 1.196 0.000 -6.944) 7.046 8.718 ( -6.737 -0.000 1.983) 7.023 8.964 ( -3.756 -0.000 -9.320) 10.048 8.982 ( -6.032 -0.000 4.191) 7.345 9.251 ( 1.200 0.000 7.923) 8.014 9.303 ( 7.373 0.000 2.664) 7.839 9.852 ( 3.796 0.000 -6.472) 7.503 9.977 ( 11.143 0.000 4.975) 12.203 10.199 ( 1.776 0.000 3.263) 3.715 10.207 ( 0.468 0.000 -2.700) 2.740 10.371 ( -7.599 -0.000 8.441) 11.358 10.478 ( -4.656 -0.000 -2.471) 5.271 10.637 ( 0.250 0.000 -0.032) 0.252 10.756 ( 5.261 0.000 -1.257) 5.409 10.917 ( -2.363 -0.000 7.042) 7.428 11.150 ( 8.739 0.000 0.931) 8.788 11.304 ( -4.107 -0.000 1.320) 4.314 11.369 ( -0.091 -0.000 1.337) 1.340 11.506 ( 2.829 0.000 1.942) 3.431 11.787 ( -0.716 -0.000 -7.102) 7.138 11.834 ( 4.610 0.000 1.214) 4.767 11.907 ( 0.026 0.000 -0.356) 0.357 12.342 ( -3.121 -0.000 1.467) 3.449 12.378 ( 1.508 0.000 -1.965) 2.477 12.512 ( 5.479 0.000 0.707) 5.525 12.915 ( 1.510 0.000 -0.159) 1.519 13.167 ( -9.302 -0.000 0.876) 9.344 13.394 ( 2.236 0.000 -1.888) 2.927 13.780 ( -0.968 -0.000 2.403) 2.591 14.022 ( -5.544 -0.000 -1.090) 5.650 14.076 ( 1.487 0.000 1.267) 1.953 14.414 ( -16.629 -0.000 6.901) 18.004 14.579 ( -3.475 -0.000 2.167) 4.095 14.830 ( -8.489 -0.000 0.863) 8.533 15.204 ( -1.023 -0.000 0.449) 1.117 15.379 ( 27.279 0.000 -22.179) 35.157 15.464 ( 9.410 0.000 -9.389) 13.293 18.088 ( -11.839 -0.000 15.091) 19.181 18.491 ( 5.780 0.000 1.877) 6.077 18.983 ( 4.322 0.000 1.538) 4.588 19.599 ( -10.606 -0.000 5.412) 11.907 19.743 ( 7.108 0.000 -1.992) 7.382 20.534 ( 2.292 0.000 2.303) 3.249 ======================= Grid point 58 (25/116) ======================= q-point: ( 0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 7.764 3.092 2.839) 8.826 2.072 ( 19.079 12.584 21.104) 31.108 2.248 ( 1.297 -0.598 13.535) 13.611 2.651 ( -4.425 11.850 1.730) 12.767 2.757 ( 4.481 -9.134 11.398) 15.278 2.984 ( -4.707 -3.069 1.685) 5.866 3.064 ( 4.719 3.310 -8.485) 10.258 3.248 ( 1.369 6.663 3.019) 7.442 3.367 ( 3.331 -8.189 -2.848) 9.288 3.525 ( -2.183 8.443 2.623) 9.107 3.563 ( -0.415 5.841 9.448) 11.116 3.755 ( 1.920 1.955 7.192) 7.696 3.811 ( 2.650 -12.160 -7.559) 14.561 3.928 ( -2.511 -0.910 -2.686) 3.787 4.082 ( -0.363 -11.082 9.141) 14.370 4.316 ( -2.029 -3.275 -9.133) 9.912 4.434 ( -0.825 1.319 -4.267) 4.542 4.608 ( 1.042 -8.302 -3.450) 9.051 4.699 ( -2.341 -2.489 -3.650) 5.000 4.893 ( 3.174 -1.544 5.932) 6.903 5.085 ( 1.486 10.173 -5.718) 11.764 5.338 ( 0.063 5.444 3.279) 6.356 5.503 ( -5.361 0.475 -11.260) 12.480 5.547 ( -4.213 -1.557 -0.547) 4.525 5.646 ( -3.910 4.471 3.905) 7.108 5.689 ( 0.307 2.492 -0.569) 2.574 5.806 ( 8.299 -6.612 -1.369) 10.699 5.953 ( 6.263 4.242 -1.955) 7.813 6.082 ( -3.491 -2.392 -0.895) 4.325 6.116 ( -4.237 0.260 7.323) 8.464 6.420 ( -12.247 0.984 5.867) 13.615 6.474 ( 4.734 5.966 -1.333) 7.732 6.553 ( 7.990 0.335 -1.389) 8.116 6.738 ( -0.334 -1.388 0.441) 1.494 6.789 ( 4.739 -2.632 -5.153) 7.479 6.886 ( -0.249 -2.250 -0.672) 2.361 7.028 ( -1.687 -4.294 -2.860) 5.428 7.116 ( -0.658 -5.597 1.067) 5.735 7.549 ( -0.502 0.170 2.118) 2.183 7.612 ( -3.782 -1.340 -4.243) 5.839 7.756 ( -2.673 7.038 5.692) 9.439 7.776 ( -4.418 7.696 -4.584) 9.988 7.886 ( 1.971 1.081 0.189) 2.256 8.039 ( -5.634 -0.574 -0.402) 5.677 8.268 ( 0.294 3.571 -3.983) 5.358 8.368 ( -2.037 3.036 -0.919) 3.770 8.450 ( 3.658 3.988 -4.979) 7.353 8.629 ( -9.411 0.124 -3.013) 9.882 8.643 ( -0.186 -0.060 -3.995) 4.000 8.817 ( -8.025 -9.412 -3.446) 12.840 9.075 ( 2.803 -6.701 4.017) 8.300 9.341 ( 5.993 3.328 5.669) 8.895 9.485 ( 5.646 -3.856 6.546) 9.465 9.791 ( 5.668 6.828 -4.142) 9.793 10.144 ( 4.922 1.370 0.062) 5.110 10.187 ( -1.731 4.718 5.389) 7.369 10.250 ( 2.286 -4.367 -0.699) 4.979 10.337 ( -0.450 -1.774 2.597) 3.177 10.450 ( -7.600 -5.306 0.353) 9.276 10.617 ( -0.565 2.633 1.422) 3.045 10.818 ( 3.148 -1.285 -0.503) 3.438 10.983 ( 0.279 -1.225 5.571) 5.711 11.206 ( 4.325 2.273 -2.708) 5.586 11.282 ( -1.499 -0.649 1.074) 1.955 11.375 ( -0.511 -0.386 0.887) 1.094 11.563 ( 4.045 0.482 2.919) 5.012 11.740 ( 1.737 -2.730 -5.961) 6.783 11.858 ( -3.043 -3.720 -1.065) 4.922 12.019 ( 7.468 -2.482 -0.086) 7.870 12.296 ( -4.286 -1.154 -0.327) 4.450 12.366 ( 3.741 3.689 0.949) 5.339 12.628 ( 5.963 -2.543 1.188) 6.590 12.929 ( 0.682 0.837 1.614) 1.942 13.048 ( -11.198 -0.224 0.575) 11.215 13.423 ( 2.003 -1.890 -0.618) 2.823 13.767 ( -0.934 3.168 -0.388) 3.325 13.940 ( -7.187 -1.359 0.296) 7.320 14.062 ( -1.357 5.081 1.229) 5.401 14.166 ( -6.934 10.937 3.365) 13.380 14.523 ( -4.684 3.632 1.602) 6.140 14.811 ( -9.893 -8.034 1.597) 12.843 15.123 ( 1.311 6.248 -0.171) 6.386 15.472 ( 7.265 -1.474 -7.845) 10.794 15.539 ( 14.719 -3.502 -17.547) 23.169 18.164 ( -5.037 -4.884 11.566) 13.528 18.623 ( 5.671 -5.282 1.687) 7.932 18.997 ( 3.645 4.580 -0.881) 5.919 19.501 ( -9.698 2.999 7.279) 12.491 19.883 ( 8.717 -7.171 -3.053) 11.693 20.568 ( 1.319 1.980 2.625) 3.543 ======================= Grid point 59 (26/116) ======================= q-point: ( 0.43 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 3.958 1.825 -12.875) 13.593 2.192 ( 11.881 20.370 18.514) 29.981 2.424 ( -4.012 10.591 -3.366) 11.815 2.499 ( -0.454 0.812 14.337) 14.367 2.759 ( -2.418 6.671 0.216) 7.099 2.912 ( 0.177 4.065 -1.586) 4.367 2.981 ( -9.960 2.091 1.384) 10.271 3.198 ( 4.764 -4.169 -4.897) 8.003 3.290 ( -4.225 7.821 -4.785) 10.096 3.556 ( -3.066 -3.534 0.884) 4.761 3.653 ( 0.039 -1.919 3.612) 4.090 3.714 ( 7.592 10.299 -4.117) 13.441 3.891 ( -2.764 -0.611 9.370) 9.789 4.018 ( 3.117 -11.134 -1.856) 11.710 4.292 ( -4.380 -2.376 1.043) 5.091 4.347 ( 4.124 -6.783 -0.290) 7.944 4.467 ( 6.513 -1.575 2.309) 7.087 4.629 ( -5.817 -2.967 3.353) 7.340 4.751 ( -0.538 -6.726 -4.476) 8.097 4.967 ( 8.415 4.519 -2.781) 9.948 4.992 ( 0.649 -4.624 -1.377) 4.868 5.241 ( -1.149 9.084 1.651) 9.304 5.391 ( 0.914 -1.603 -0.320) 1.872 5.499 ( -4.038 -4.141 -4.553) 7.361 5.546 ( -8.473 2.478 8.003) 11.916 5.630 ( -3.981 1.590 -2.631) 5.029 5.907 ( 0.961 3.523 0.438) 3.678 6.024 ( 3.834 -4.890 -2.674) 6.765 6.067 ( 5.185 6.251 0.923) 8.174 6.154 ( 5.134 -1.550 2.025) 5.732 6.284 ( -10.536 -0.767 4.695) 11.561 6.471 ( -0.438 -0.306 1.836) 1.912 6.611 ( 3.449 0.577 1.578) 3.837 6.756 ( 0.815 -0.508 -0.697) 1.187 6.855 ( 4.617 3.600 -0.668) 5.893 6.940 ( 4.379 -6.219 -6.190) 9.807 7.057 ( -0.865 -4.560 -3.247) 5.665 7.167 ( -1.592 -2.164 -1.890) 3.285 7.478 ( -8.829 6.441 2.367) 11.182 7.588 ( -0.045 6.296 -2.624) 6.821 7.615 ( -3.271 -6.335 -0.730) 7.167 7.662 ( -1.144 4.952 -0.569) 5.115 7.892 ( 5.015 1.834 -1.770) 5.626 8.020 ( -0.167 -0.057 3.165) 3.170 8.210 ( 1.547 0.291 -4.359) 4.635 8.277 ( -2.688 -0.692 -2.540) 3.762 8.375 ( -2.631 3.605 -2.675) 5.203 8.515 ( -0.274 -1.787 -4.182) 4.556 8.611 ( -0.264 -0.430 -3.143) 3.183 8.861 ( -9.579 -10.119 -0.078) 13.934 9.303 ( 5.459 -11.011 4.554) 13.107 9.395 ( 4.598 5.219 5.679) 8.980 9.539 ( 2.555 7.935 -0.951) 8.390 9.806 ( 6.154 -0.384 3.078) 6.892 10.073 ( -1.356 7.645 3.146) 8.377 10.160 ( -1.676 1.123 0.355) 2.049 10.292 ( -3.056 -0.313 1.628) 3.476 10.430 ( -3.297 -5.919 0.220) 6.779 10.454 ( -1.146 -5.267 -1.969) 5.739 10.601 ( 4.381 3.956 1.617) 6.120 10.857 ( 3.207 -0.479 -0.469) 3.277 11.014 ( -1.616 2.412 4.014) 4.954 11.187 ( 1.733 1.627 -1.446) 2.783 11.283 ( 0.187 0.328 -0.508) 0.633 11.378 ( -2.914 -0.682 2.570) 3.945 11.627 ( 2.553 0.745 3.099) 4.084 11.771 ( -0.272 -2.992 -6.385) 7.056 11.890 ( 1.680 -5.254 0.136) 5.518 12.081 ( 3.184 -0.117 -2.747) 4.206 12.287 ( -1.655 -3.028 -1.864) 3.922 12.429 ( 5.146 -0.487 6.189) 8.064 12.698 ( 2.963 2.578 0.988) 4.050 12.895 ( -8.992 0.802 0.611) 9.048 12.964 ( -0.446 -0.318 1.047) 1.182 13.457 ( -0.414 1.782 2.331) 2.963 13.655 ( -5.419 0.898 -3.286) 6.401 13.852 ( -3.412 8.899 2.392) 9.826 14.006 ( 1.327 -5.119 -1.511) 5.500 14.081 ( 0.992 2.275 -0.912) 2.644 14.383 ( -6.582 6.901 1.402) 9.639 14.802 ( -7.694 -3.687 0.214) 8.534 15.074 ( -0.022 1.851 0.073) 1.853 15.504 ( 8.574 0.595 -8.356) 11.987 15.592 ( 8.062 -3.924 -12.248) 15.179 18.267 ( -2.465 -2.647 9.230) 9.914 18.793 ( 4.912 -5.185 0.764) 7.183 18.925 ( -1.926 3.472 -2.026) 4.457 19.447 ( -5.510 1.753 11.131) 12.543 20.065 ( 9.244 -6.664 -4.985) 12.438 20.551 ( -0.176 4.365 2.541) 5.054 ======================= Grid point 60 (27/116) ======================= q-point: (-0.43 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 5.146 -3.518 -9.500) 11.362 2.046 ( -2.111 29.495 8.700) 30.824 2.155 ( -10.498 7.643 1.359) 13.056 2.348 ( -0.062 21.423 -7.894) 22.832 2.654 ( 2.573 -0.968 4.243) 5.056 2.819 ( -3.689 5.483 2.284) 6.992 2.967 ( 0.696 -4.405 -11.884) 12.693 3.234 ( 0.254 -4.472 -0.659) 4.528 3.336 ( 3.227 -2.918 4.481) 6.246 3.408 ( -7.824 4.567 2.491) 9.396 3.612 ( -5.374 8.089 -2.277) 9.975 3.793 ( 7.222 14.919 9.192) 18.953 3.802 ( -4.115 -0.748 4.318) 6.011 4.050 ( -3.529 -0.860 -4.627) 5.883 4.167 ( -1.167 1.301 -4.321) 4.661 4.429 ( -1.255 0.132 6.938) 7.052 4.597 ( -3.609 -3.170 4.318) 6.459 4.745 ( 5.386 -13.165 -3.750) 14.710 4.810 ( -0.138 -2.414 0.704) 2.518 4.972 ( 0.121 -3.358 -4.709) 5.785 5.113 ( 5.253 -1.716 1.122) 5.639 5.212 ( 6.069 -0.032 1.314) 6.209 5.416 ( -6.591 6.511 2.933) 9.718 5.490 ( -3.177 -2.366 -1.102) 4.112 5.554 ( 0.577 -9.646 -3.107) 10.150 5.595 ( -0.065 -5.903 7.462) 9.515 5.898 ( -2.138 -2.613 -0.925) 3.500 5.984 ( 6.948 8.425 -2.006) 11.103 6.038 ( 5.142 5.876 1.102) 7.885 6.238 ( -6.704 -0.997 3.541) 7.647 6.353 ( 9.235 -3.411 0.165) 9.846 6.472 ( -4.113 0.914 3.133) 5.250 6.666 ( -1.821 -4.043 1.670) 4.739 6.751 ( -2.665 6.127 3.800) 7.687 6.813 ( 4.416 2.604 -0.880) 5.201 6.909 ( 0.970 10.030 -10.230) 14.359 7.020 ( 0.060 -1.830 -1.672) 2.480 7.211 ( -8.717 2.922 -0.467) 9.205 7.254 ( -2.458 -6.991 -4.045) 8.442 7.501 ( -0.389 3.471 -0.225) 3.500 7.626 ( 2.793 -1.152 -4.151) 5.134 7.710 ( 0.811 -8.350 -1.739) 8.567 7.917 ( 1.852 -0.399 -0.616) 1.992 8.074 ( 5.234 2.376 3.686) 6.829 8.177 ( 0.196 -1.888 -3.976) 4.406 8.280 ( -3.217 1.466 0.799) 3.624 8.390 ( 6.820 -10.641 -3.349) 13.075 8.545 ( 2.993 -2.644 -5.327) 6.658 8.594 ( -0.816 -1.893 -0.523) 2.127 8.883 ( -9.837 -9.422 1.600) 13.715 9.376 ( 1.890 11.179 2.841) 11.688 9.397 ( 2.147 8.921 0.791) 9.210 9.585 ( 3.992 -12.847 2.464) 13.677 9.906 ( 0.723 -0.980 3.230) 3.452 9.992 ( -1.755 5.405 4.520) 7.261 10.122 ( 0.840 3.260 1.633) 3.741 10.231 ( -4.126 1.535 -1.629) 4.694 10.412 ( -4.979 -1.024 -0.985) 5.178 10.500 ( -0.731 -1.895 -0.532) 2.099 10.651 ( 8.184 -1.162 -2.145) 8.539 10.887 ( -0.004 1.500 -0.520) 1.587 10.971 ( 1.432 4.251 0.710) 4.542 11.174 ( -0.587 2.795 3.105) 4.218 11.286 ( 0.490 0.152 2.167) 2.227 11.356 ( -6.914 -0.432 3.718) 7.862 11.630 ( -0.172 3.827 0.099) 3.832 11.726 ( -1.910 -1.212 -1.900) 2.954 11.992 ( 1.817 -4.198 -2.450) 5.189 12.102 ( 1.114 -1.962 -0.916) 2.435 12.303 ( 2.261 -0.450 -1.927) 3.005 12.532 ( -2.713 0.378 7.034) 7.548 12.672 ( 0.530 2.867 2.430) 3.796 12.812 ( -0.567 -1.255 -3.134) 3.423 12.971 ( 0.090 1.201 -0.361) 1.258 13.384 ( -1.854 5.512 0.249) 5.821 13.602 ( -0.629 0.066 -2.841) 2.910 13.730 ( -4.955 1.648 2.179) 5.659 14.069 ( 1.463 0.990 -0.454) 1.824 14.089 ( -0.228 1.689 0.833) 1.897 14.277 ( 0.632 -3.818 -0.935) 3.981 14.737 ( -5.881 -0.180 -1.300) 6.026 15.050 ( 0.118 0.940 -1.600) 1.859 15.514 ( 4.253 -0.411 -6.391) 7.688 15.648 ( 8.386 -3.254 -9.768) 13.279 18.353 ( 1.189 -0.412 7.308) 7.416 18.701 ( -6.938 6.358 -3.294) 9.971 19.018 ( 2.514 -7.675 3.717) 8.890 19.511 ( -3.187 -2.861 11.466) 12.240 20.177 ( 7.615 0.654 -5.589) 9.468 20.506 ( -0.201 2.212 1.268) 2.557 ======================= Grid point 61 (28/116) ======================= q-point: (-0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -7.519 29.083 9.026) 31.366 1.673 ( -11.403 31.001 -2.982) 33.166 1.889 ( 6.453 -10.692 -4.728) 13.354 2.230 ( 0.357 -1.182 0.830) 1.488 2.594 ( -9.317 17.490 9.498) 21.976 2.767 ( 12.458 4.995 -9.656) 16.535 2.918 ( -3.757 3.922 -0.531) 5.457 3.185 ( -5.224 1.460 -0.971) 5.510 3.232 ( -0.207 1.814 -3.270) 3.745 3.346 ( -0.758 -0.086 7.608) 7.646 3.634 ( -3.618 -10.791 10.106) 15.220 3.732 ( 6.651 10.335 1.935) 12.442 3.909 ( -3.667 -5.213 2.046) 6.694 4.047 ( 8.399 -2.420 1.130) 8.813 4.141 ( 1.940 2.030 -2.726) 3.914 4.431 ( -9.108 1.319 8.577) 12.580 4.617 ( -2.294 -5.600 -5.370) 8.091 4.743 ( -8.277 5.988 0.431) 10.225 4.908 ( 4.068 0.538 -0.451) 4.128 4.992 ( 2.148 -5.803 -3.031) 6.890 5.086 ( -3.076 3.391 -1.156) 4.722 5.348 ( 0.928 -5.125 -1.423) 5.400 5.398 ( 3.212 -3.389 5.130) 6.937 5.445 ( -2.788 -1.372 -2.188) 3.800 5.597 ( -3.199 -2.011 2.218) 4.381 5.842 ( 6.936 -8.869 -1.534) 11.363 5.878 ( 6.631 5.588 -2.664) 9.071 6.000 ( 8.986 1.602 1.150) 9.200 6.071 ( 2.925 0.326 3.837) 4.836 6.144 ( -7.432 5.100 1.180) 9.090 6.381 ( -7.142 1.839 4.114) 8.445 6.447 ( 2.945 2.444 -2.893) 4.798 6.578 ( -5.273 10.798 2.227) 12.221 6.632 ( -4.831 3.716 2.443) 6.566 6.751 ( -3.093 1.177 -1.992) 3.863 6.884 ( 4.731 -1.639 1.894) 5.353 7.011 ( -2.739 2.479 -4.952) 6.178 7.082 ( 2.154 -6.359 -3.784) 7.707 7.386 ( 1.343 -7.979 -4.489) 9.253 7.514 ( 0.690 -4.658 2.140) 5.172 7.663 ( 5.444 -2.735 -5.114) 7.954 7.816 ( -0.143 -7.113 -0.950) 7.178 7.942 ( -0.995 -1.220 1.365) 2.083 8.079 ( 3.247 3.557 -0.798) 4.882 8.211 ( 0.458 -3.196 -4.107) 5.224 8.301 ( 6.189 -1.702 0.615) 6.448 8.494 ( -1.047 1.221 -2.233) 2.752 8.606 ( -0.044 -7.309 -3.301) 8.020 8.684 ( 6.024 -9.708 -2.174) 11.630 8.950 ( -5.563 -9.763 3.903) 11.896 9.201 ( 0.333 11.459 -2.096) 11.654 9.337 ( -1.208 6.788 5.219) 8.647 9.761 ( -1.381 -5.724 -2.606) 6.439 9.907 ( -4.704 2.482 3.468) 6.350 9.944 ( -0.458 0.744 3.043) 3.166 10.132 ( -0.945 1.238 -1.209) 1.972 10.154 ( 1.804 2.068 2.833) 3.944 10.358 ( -2.416 -1.578 -3.721) 4.709 10.501 ( 3.897 1.849 -1.524) 4.575 10.766 ( 7.995 -0.669 -0.528) 8.041 10.805 ( -5.576 2.967 2.032) 6.635 10.921 ( 2.946 5.868 -3.663) 7.518 11.139 ( -4.585 4.234 6.542) 9.041 11.274 ( -5.828 0.557 3.078) 6.615 11.346 ( -2.183 -1.362 4.749) 5.401 11.546 ( -1.109 4.561 -1.433) 4.908 11.734 ( -0.530 -1.233 1.460) 1.984 11.998 ( 0.617 0.721 -3.344) 3.476 12.154 ( 1.298 -3.275 0.505) 3.559 12.303 ( 0.666 1.353 0.192) 1.520 12.507 ( -2.108 2.922 1.251) 3.814 12.633 ( -2.810 2.931 0.088) 4.061 12.884 ( 3.533 0.196 -1.259) 3.756 12.915 ( 0.944 -1.726 0.559) 2.045 13.310 ( 1.029 2.481 -1.459) 3.056 13.558 ( 3.112 6.628 2.330) 7.684 13.733 ( -5.159 -6.450 1.775) 8.448 13.984 ( -3.040 6.203 3.594) 7.787 14.102 ( 0.554 -2.656 -0.508) 2.761 14.422 ( 5.362 -6.433 -1.823) 8.571 14.671 ( -3.914 -2.058 -1.158) 4.571 15.026 ( 2.592 0.920 -3.514) 4.463 15.506 ( 0.663 -0.825 -4.308) 4.436 15.699 ( 8.436 -0.798 -9.875) 13.013 18.399 ( 3.093 8.961 3.340) 10.051 18.555 ( -8.001 -5.496 2.560) 10.039 19.174 ( 0.799 -6.211 1.845) 6.528 19.613 ( -6.572 -5.650 8.298) 11.999 20.108 ( 2.455 10.717 -2.943) 11.382 20.528 ( 2.768 -3.267 -3.886) 5.782 ======================= Grid point 62 (29/116) ======================= q-point: (-0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -10.637 29.392 6.485) 31.923 1.254 ( -0.884 27.146 18.886) 33.081 2.092 ( 3.544 29.355 23.328) 37.663 2.170 ( 0.163 -12.945 2.155) 13.125 2.487 ( -1.342 -5.874 13.425) 14.715 2.689 ( 8.317 0.670 -13.389) 15.776 2.973 ( 6.731 -5.682 -6.222) 10.784 3.217 ( 3.845 -1.317 -3.950) 5.667 3.262 ( 0.040 -6.274 2.921) 6.921 3.339 ( -3.809 5.831 5.919) 9.141 3.645 ( 1.653 3.196 3.753) 5.199 3.889 ( -3.987 -9.889 7.955) 13.303 3.983 ( -4.706 -3.243 4.789) 7.456 4.092 ( 0.924 7.527 3.468) 8.339 4.149 ( 8.740 4.218 -6.908) 11.912 4.366 ( -6.089 -3.089 1.097) 6.916 4.464 ( -8.616 5.432 3.198) 10.676 4.658 ( -2.076 0.746 -3.130) 3.829 4.857 ( -0.380 4.176 0.406) 4.213 5.017 ( -1.787 -0.732 -1.984) 2.768 5.083 ( -0.048 -5.174 -4.608) 6.928 5.339 ( 0.665 -1.358 -6.133) 6.317 5.399 ( 2.341 1.210 -7.190) 7.657 5.572 ( 4.563 -1.784 6.820) 8.397 5.609 ( -3.165 -1.655 1.453) 3.856 5.845 ( 0.625 4.642 -2.706) 5.409 5.883 ( 3.637 6.775 6.131) 9.834 6.011 ( -3.354 -0.323 0.000) 3.369 6.153 ( 4.853 -6.954 -2.175) 8.754 6.191 ( 3.079 1.661 -0.424) 3.524 6.307 ( -3.600 -1.235 3.515) 5.181 6.415 ( -5.543 7.426 5.404) 10.727 6.429 ( 0.140 -4.975 4.801) 6.916 6.620 ( 1.843 1.411 5.719) 6.172 6.682 ( -0.455 -0.661 -4.964) 5.028 6.927 ( -0.977 2.407 -2.203) 3.406 6.997 ( 5.150 -2.749 -0.562) 5.865 7.155 ( 1.663 -2.249 -0.460) 2.834 7.450 ( 0.414 -6.416 -4.248) 7.706 7.630 ( -0.269 -7.294 0.621) 7.326 7.745 ( 7.030 -3.324 -5.488) 9.518 7.892 ( -4.971 -1.858 2.359) 5.807 7.919 ( -1.025 -4.938 -4.795) 6.959 8.097 ( 2.630 0.575 3.319) 4.274 8.236 ( 0.130 -4.104 -2.752) 4.943 8.396 ( 6.214 -0.502 -2.060) 6.566 8.429 ( -1.101 2.187 -1.844) 3.065 8.645 ( -1.842 -5.506 -3.113) 6.588 8.854 ( 1.872 -3.305 0.522) 3.834 9.020 ( 4.157 5.907 -5.535) 9.099 9.103 ( -4.115 -7.764 4.400) 9.828 9.261 ( -5.923 2.985 3.313) 7.414 9.715 ( -0.993 2.493 -7.306) 7.784 9.738 ( -10.022 7.301 -1.422) 12.481 9.970 ( -1.606 0.094 1.825) 2.433 10.098 ( -0.211 -1.313 -2.502) 2.834 10.213 ( 1.278 0.932 6.577) 6.765 10.340 ( 0.840 -1.333 -3.782) 4.097 10.531 ( 3.829 -1.004 -1.161) 4.125 10.703 ( -4.300 3.976 3.146) 6.648 10.808 ( 2.869 7.061 -3.586) 8.423 10.885 ( 7.605 1.290 1.877) 7.938 11.045 ( -8.502 4.779 6.663) 11.812 11.262 ( -2.126 -2.091 3.251) 4.412 11.365 ( -3.351 -0.058 4.257) 5.418 11.464 ( -0.796 2.888 -0.947) 3.142 11.756 ( 0.622 0.187 0.620) 0.898 11.957 ( 1.856 3.119 -3.084) 4.763 12.226 ( 2.186 -2.437 -0.340) 3.291 12.308 ( 1.180 1.892 0.461) 2.277 12.346 ( -7.177 7.383 -3.428) 10.852 12.544 ( -0.823 3.354 -1.024) 3.602 12.872 ( 1.552 -1.313 -1.217) 2.369 13.193 ( 9.845 -12.387 10.429) 18.950 13.301 ( 1.982 0.212 -0.507) 2.057 13.586 ( 8.446 -0.200 10.085) 13.156 13.770 ( -3.315 -2.141 2.386) 4.611 13.951 ( -2.213 -2.190 3.562) 4.731 14.126 ( -0.160 -0.175 -0.787) 0.822 14.509 ( 2.738 -1.660 -1.218) 3.426 14.711 ( 1.175 -5.994 0.496) 6.128 15.031 ( 3.777 0.159 -3.658) 5.260 15.478 ( -0.071 -0.213 -4.059) 4.066 15.674 ( 8.073 5.240 -12.587) 15.844 18.291 ( -2.895 6.583 4.507) 8.487 18.674 ( 0.237 -9.011 4.449) 10.052 19.143 ( -12.346 4.411 -8.108) 15.414 19.636 ( -9.630 -4.856 4.319) 11.618 19.935 ( 0.718 11.984 -0.720) 12.027 20.535 ( 1.078 -0.416 -7.228) 7.320 ======================= Grid point 65 (30/116) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 2.464 0.000 -14.843) 15.046 2.490 ( 3.767 0.000 26.230) 26.499 2.614 ( 13.213 0.000 21.189) 24.971 2.700 ( -11.808 -0.000 -12.968) 17.538 2.706 ( -7.866 -0.000 3.575) 8.640 2.861 ( 1.875 0.000 6.747) 7.002 3.068 ( 3.834 0.000 -5.496) 6.702 3.342 ( 7.555 0.000 1.003) 7.622 3.458 ( -3.001 -0.000 -3.226) 4.406 3.490 ( -3.210 -0.000 -5.375) 6.261 3.669 ( 7.889 0.000 -2.189) 8.187 3.765 ( -2.124 -0.000 10.909) 11.114 3.876 ( -2.202 -0.000 1.085) 2.455 3.886 ( 3.615 0.000 9.727) 10.377 4.094 ( 4.798 0.000 4.568) 6.625 4.187 ( 4.840 0.000 -8.824) 10.064 4.430 ( 6.149 0.000 -4.219) 7.457 4.449 ( 2.566 0.000 -7.093) 7.543 4.635 ( -5.439 -0.000 -3.253) 6.338 4.983 ( -1.149 -0.000 11.457) 11.515 5.172 ( 6.187 0.000 -7.179) 9.477 5.256 ( -13.339 -0.000 -4.761) 14.163 5.396 ( -0.199 -0.000 -3.139) 3.145 5.506 ( -4.372 -0.000 5.541) 7.058 5.635 ( -4.195 -0.000 0.712) 4.255 5.782 ( 10.857 0.000 -6.836) 12.829 5.796 ( -6.004 -0.000 7.223) 9.393 5.992 ( -6.744 -0.000 0.285) 6.750 6.118 ( 12.346 0.000 -1.537) 12.441 6.161 ( -0.942 -0.000 4.734) 4.827 6.310 ( -10.153 -0.000 3.667) 10.795 6.560 ( 3.971 0.000 -0.963) 4.086 6.634 ( 2.653 0.000 1.428) 3.013 6.727 ( 1.863 0.000 -4.040) 4.449 6.781 ( 4.990 0.000 -2.131) 5.426 6.818 ( -0.263 -0.000 -4.091) 4.099 6.948 ( -2.216 -0.000 -3.324) 3.995 7.104 ( 6.058 0.000 0.576) 6.085 7.487 ( -5.292 -0.000 -5.208) 7.425 7.539 ( -6.054 -0.000 4.242) 7.392 7.778 ( -1.898 -0.000 -1.302) 2.302 7.842 ( -1.540 -0.000 2.242) 2.720 7.937 ( 0.612 0.000 7.645) 7.670 7.954 ( -0.325 -0.000 -4.313) 4.325 8.230 ( -4.254 -0.000 -3.457) 5.481 8.393 ( 0.913 0.000 -3.318) 3.441 8.469 ( -9.107 -0.000 1.257) 9.194 8.491 ( -8.324 -0.000 -8.580) 11.954 8.589 ( 1.254 0.000 -5.303) 5.449 8.590 ( 0.046 0.000 -3.774) 3.774 9.090 ( 2.055 0.000 4.691) 5.122 9.519 ( 6.874 0.000 6.297) 9.322 9.602 ( 5.161 0.000 8.645) 10.068 9.862 ( 5.399 0.000 -4.834) 7.247 10.171 ( 0.907 0.000 -3.884) 3.988 10.202 ( -6.930 -0.000 0.895) 6.988 10.305 ( -9.890 -0.000 9.107) 13.444 10.308 ( 5.280 0.000 0.632) 5.318 10.317 ( -1.197 -0.000 -1.035) 1.582 10.692 ( 5.568 0.000 2.754) 6.212 10.814 ( -1.414 -0.000 0.898) 1.675 11.074 ( 6.334 0.000 3.851) 7.412 11.212 ( 1.009 0.000 -5.438) 5.531 11.268 ( -1.127 -0.000 1.764) 2.093 11.414 ( 4.177 0.000 0.097) 4.178 11.632 ( 4.328 0.000 0.550) 4.363 11.678 ( 1.314 0.000 -3.496) 3.735 11.813 ( -1.244 -0.000 1.960) 2.321 12.091 ( 6.280 0.000 -2.434) 6.735 12.201 ( -6.104 -0.000 -2.700) 6.674 12.468 ( 4.457 0.000 3.908) 5.928 12.700 ( 6.485 0.000 1.224) 6.600 12.917 ( -11.003 -0.000 1.235) 11.072 12.962 ( 0.752 0.000 2.561) 2.669 13.425 ( 1.547 0.000 0.065) 1.549 13.779 ( -11.888 -0.000 -1.817) 12.026 13.823 ( 4.130 0.000 -1.489) 4.390 14.085 ( -0.711 -0.000 -2.461) 2.562 14.179 ( -10.204 -0.000 4.075) 10.988 14.509 ( -4.854 -0.000 1.450) 5.066 14.619 ( -10.847 -0.000 3.560) 11.416 15.146 ( -3.634 -0.000 0.197) 3.640 15.469 ( 9.963 0.000 -10.013) 14.125 15.563 ( 12.850 0.000 -14.732) 19.548 18.214 ( -1.436 -0.000 13.399) 13.476 18.671 ( 4.489 0.000 2.791) 5.285 19.041 ( 2.297 0.000 -5.724) 6.168 19.481 ( -8.131 -0.000 8.662) 11.881 19.925 ( 11.007 0.000 -3.568) 11.571 20.621 ( 0.090 0.000 3.183) 3.184 ======================= Grid point 66 (31/116) ======================= q-point: ( 0.43 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 7.085 0.904 -13.978) 15.697 2.377 ( -6.249 7.957 -8.761) 13.383 2.542 ( -11.912 -1.085 3.526) 12.470 2.741 ( -2.268 9.596 -0.603) 9.879 2.827 ( 7.522 8.625 16.844) 20.364 2.937 ( 4.091 -4.696 11.386) 12.978 3.108 ( -5.029 14.984 -9.050) 18.213 3.150 ( 3.685 -2.469 4.221) 6.123 3.342 ( -5.745 9.991 -5.283) 12.678 3.504 ( 4.761 -4.487 1.110) 6.636 3.671 ( -0.248 7.056 -2.205) 7.397 3.824 ( 3.252 -1.655 -3.556) 5.095 3.880 ( 1.019 -1.749 3.591) 4.123 4.020 ( 0.708 -3.525 9.032) 9.722 4.225 ( 1.121 0.573 -8.100) 8.197 4.272 ( 5.633 -9.865 2.314) 11.593 4.516 ( 6.446 -8.442 -4.573) 11.564 4.559 ( 1.991 -4.039 2.542) 5.170 4.603 ( 1.963 -2.482 2.303) 3.914 4.988 ( -5.462 4.121 4.489) 8.183 5.088 ( 3.626 1.621 -2.368) 4.624 5.199 ( -5.912 -7.498 -0.438) 9.558 5.360 ( -0.461 -0.332 -2.861) 2.917 5.487 ( -1.854 6.876 2.062) 7.414 5.592 ( -2.488 2.311 1.959) 3.920 5.639 ( -5.528 10.355 6.271) 13.308 5.882 ( -6.118 -3.893 1.018) 7.322 5.973 ( 6.936 -3.403 -2.888) 8.248 6.130 ( -10.324 -2.737 3.578) 11.264 6.212 ( 7.920 1.894 -1.356) 8.255 6.303 ( 2.578 -1.018 3.296) 4.306 6.539 ( 4.545 8.414 -2.337) 9.845 6.664 ( -0.836 0.793 3.754) 3.927 6.747 ( 3.498 -3.011 -2.458) 5.230 6.810 ( 2.312 -7.785 -7.709) 11.197 6.878 ( -0.737 -5.122 -2.833) 5.899 6.945 ( 3.005 -2.856 -0.832) 4.228 7.170 ( 5.341 3.636 -2.926) 7.093 7.444 ( -5.127 -1.136 1.339) 5.420 7.476 ( -6.773 -3.463 1.472) 7.748 7.689 ( 0.391 7.971 -0.763) 8.017 7.756 ( -4.393 9.566 0.471) 10.537 7.929 ( 4.825 0.095 -4.361) 6.504 8.047 ( 2.359 -2.962 4.222) 5.671 8.159 ( -5.700 -1.321 -2.463) 6.349 8.241 ( -0.094 4.872 -4.285) 6.489 8.329 ( -5.434 -0.658 -0.372) 5.487 8.484 ( -1.423 -4.732 -5.086) 7.091 8.540 ( 0.467 -0.221 -3.555) 3.592 8.648 ( -2.095 -5.005 0.671) 5.467 9.215 ( 1.651 -8.965 2.834) 9.546 9.604 ( 5.500 5.446 5.906) 9.736 9.664 ( 1.076 5.142 1.517) 5.468 9.907 ( 4.294 0.967 1.484) 4.645 10.071 ( -5.605 -2.011 -3.113) 6.719 10.155 ( -2.153 1.351 -1.807) 3.119 10.287 ( -2.900 -0.918 0.506) 3.084 10.302 ( -4.416 -2.650 6.655) 8.415 10.369 ( -1.752 -1.751 0.305) 2.496 10.741 ( 3.973 4.261 0.315) 5.834 10.854 ( 3.758 -3.124 -0.458) 4.908 11.129 ( 3.858 5.104 1.162) 6.502 11.198 ( 1.333 -0.926 -0.113) 1.627 11.281 ( -1.103 -0.767 1.924) 2.347 11.426 ( 3.602 4.575 0.356) 5.833 11.686 ( 2.493 0.011 -0.108) 2.495 11.706 ( 2.078 -0.635 -0.565) 2.245 11.858 ( 1.045 -3.891 2.646) 4.820 12.089 ( 0.016 0.699 -2.973) 3.054 12.162 ( -1.146 -5.433 -4.068) 6.884 12.546 ( 1.668 1.098 6.246) 6.558 12.772 ( 3.311 0.850 0.339) 3.435 12.799 ( -6.978 0.815 0.273) 7.030 12.998 ( 1.618 0.581 2.476) 3.014 13.462 ( 0.189 -2.100 1.464) 2.567 13.577 ( -10.319 3.500 -2.615) 11.206 13.910 ( 5.890 -3.166 -3.115) 7.377 13.991 ( -4.467 6.098 1.574) 7.721 14.072 ( -2.185 0.899 -2.431) 3.390 14.420 ( -4.707 5.345 1.066) 7.202 14.607 ( -9.996 -8.281 3.666) 13.488 15.083 ( -2.825 2.200 -0.023) 3.581 15.529 ( 9.322 -3.460 -9.718) 13.904 15.566 ( 9.680 2.165 -11.707) 15.343 18.319 ( -2.127 -0.658 12.520) 12.717 18.782 ( 2.512 -5.480 3.376) 6.909 18.955 ( 0.682 6.521 -5.960) 8.861 19.471 ( -6.145 -0.315 8.452) 10.454 20.061 ( 11.066 -4.769 -5.528) 13.257 20.615 ( -2.040 2.888 2.570) 4.371 ======================= Grid point 67 (32/116) ======================= q-point: (-0.43 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 7.736 0.744 -11.234) 13.660 2.164 ( -1.941 8.260 -2.781) 8.929 2.422 ( -4.329 20.848 0.076) 21.293 2.511 ( -0.920 -2.611 -3.510) 4.471 2.674 ( -6.720 16.927 -7.163) 19.570 2.973 ( 4.129 3.682 11.500) 12.761 2.998 ( 5.362 9.129 -8.369) 13.495 3.154 ( -4.613 -2.378 2.173) 5.626 3.364 ( 0.924 -6.376 11.535) 13.213 3.474 ( 2.810 11.905 -0.738) 12.254 3.597 ( -2.171 -0.238 -2.739) 3.503 3.829 ( -6.705 6.338 3.568) 9.892 3.923 ( -2.366 -3.508 0.528) 4.264 4.068 ( 5.250 1.815 0.527) 5.580 4.197 ( 2.581 -3.926 1.475) 4.925 4.461 ( -2.391 8.824 2.430) 9.460 4.566 ( 3.098 -12.764 -0.023) 13.134 4.613 ( -2.937 1.750 2.835) 4.442 4.687 ( 1.593 -6.985 -3.275) 7.877 4.969 ( -0.475 2.271 4.658) 5.204 5.180 ( 5.814 -3.065 -1.661) 6.779 5.278 ( -4.815 -12.106 0.428) 13.035 5.280 ( -0.202 4.164 -5.541) 6.934 5.424 ( 1.203 -2.298 1.366) 2.932 5.490 ( -2.318 2.882 -2.174) 4.290 5.643 ( -2.471 1.786 9.318) 9.804 5.837 ( -1.508 -0.243 3.265) 3.604 6.034 ( -3.546 -2.796 4.145) 6.130 6.136 ( -0.218 -3.561 0.179) 3.573 6.346 ( 6.945 -6.415 -4.030) 10.278 6.353 ( 7.056 6.557 2.217) 9.884 6.450 ( -1.323 3.145 0.192) 3.417 6.622 ( -2.946 3.137 -3.074) 5.288 6.775 ( -0.877 -2.608 0.550) 2.806 6.859 ( 0.361 -0.042 -3.534) 3.552 6.965 ( 0.303 -0.643 -2.792) 2.881 7.025 ( 6.123 -8.598 -4.344) 11.415 7.099 ( 2.384 7.435 1.810) 8.015 7.227 ( -10.395 10.827 0.647) 15.023 7.563 ( 0.665 1.261 -1.131) 1.819 7.589 ( -1.979 0.733 -3.103) 3.753 7.612 ( 2.262 -1.312 -0.573) 2.677 7.936 ( 1.659 1.188 -0.912) 2.235 8.085 ( -1.134 -3.330 -4.813) 5.961 8.184 ( 3.647 -3.032 3.569) 5.936 8.253 ( 0.932 0.638 -0.876) 1.430 8.321 ( 2.226 -5.729 -0.391) 6.159 8.486 ( -0.003 -5.137 -6.245) 8.086 8.522 ( 0.925 -0.726 -5.214) 5.345 8.715 ( -4.568 -5.206 8.380) 10.872 9.401 ( 0.642 -11.807 -1.193) 11.884 9.536 ( -1.751 10.123 -1.791) 10.428 9.607 ( 2.022 7.219 4.884) 8.947 9.902 ( -3.070 -0.612 2.011) 3.721 10.065 ( -2.111 4.401 0.623) 4.921 10.122 ( 1.163 -5.875 -3.612) 6.994 10.238 ( -0.543 3.664 -0.095) 3.705 10.325 ( -3.630 0.295 0.504) 3.676 10.421 ( -2.639 -7.552 5.743) 9.848 10.727 ( 4.258 1.860 -2.497) 5.275 10.897 ( 1.567 0.669 -2.678) 3.174 11.085 ( 2.858 5.893 -2.018) 6.853 11.235 ( -0.472 -0.110 3.199) 3.235 11.311 ( -0.182 -1.133 5.441) 5.561 11.371 ( -1.659 7.557 2.760) 8.214 11.666 ( 0.345 3.145 -1.745) 3.613 11.728 ( 0.592 1.007 3.587) 3.772 11.951 ( 1.396 -3.936 0.678) 4.231 12.078 ( 0.864 -0.972 -1.523) 2.003 12.239 ( 2.975 -7.433 -3.913) 8.912 12.552 ( -6.872 2.228 6.648) 9.817 12.705 ( -1.939 2.316 -0.272) 3.033 12.826 ( 4.422 -1.002 -0.081) 4.534 12.996 ( -0.479 2.583 -1.223) 2.897 13.398 ( -3.884 3.114 -1.933) 5.340 13.536 ( -1.543 -4.904 1.872) 5.471 13.808 ( -1.430 8.936 1.435) 9.163 14.014 ( -1.941 -2.217 -0.324) 2.964 14.132 ( 9.482 -7.150 -3.651) 12.425 14.273 ( -3.894 7.307 0.760) 8.315 14.623 ( -7.540 -5.008 1.506) 9.176 15.026 ( -2.078 0.940 -0.679) 2.380 15.535 ( 7.228 2.439 -9.862) 12.468 15.615 ( 8.582 -3.727 -8.183) 12.430 18.396 ( -4.274 -1.859 9.412) 10.502 18.787 ( 1.958 12.254 -2.312) 12.623 18.941 ( -0.392 -8.896 4.315) 9.895 19.485 ( -6.358 -2.722 5.989) 9.149 20.209 ( 10.280 -4.509 -7.243) 13.359 20.534 ( -4.670 4.628 1.282) 6.698 ======================= Grid point 68 (33/116) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 6.074 -1.347 -8.503) 10.536 1.979 ( -6.694 26.493 -5.196) 27.815 2.006 ( -2.152 14.897 10.301) 18.239 2.305 ( 7.032 10.610 -7.015) 14.533 2.692 ( 1.437 -4.915 -2.033) 5.510 2.787 ( 2.197 2.888 -4.360) 5.673 3.108 ( 4.560 0.371 2.786) 5.356 3.180 ( -2.665 0.679 1.818) 3.297 3.256 ( -1.681 8.828 -1.904) 9.186 3.471 ( -1.352 7.606 8.472) 11.465 3.583 ( -4.108 -2.440 15.881) 16.584 3.784 ( 3.093 -2.743 -0.048) 4.134 3.946 ( -0.032 7.899 -1.056) 7.970 4.023 ( -5.947 -3.627 2.202) 7.305 4.280 ( 3.864 10.435 4.101) 11.859 4.387 ( -1.022 -7.236 3.348) 8.038 4.518 ( -5.050 2.064 0.333) 5.465 4.740 ( 4.194 0.162 -7.244) 8.372 4.829 ( -0.785 -10.181 0.516) 10.224 4.937 ( -1.173 -0.662 3.542) 3.790 5.159 ( 3.577 5.663 -5.906) 8.930 5.274 ( -3.629 -1.946 -2.702) 4.926 5.316 ( -3.681 -6.795 -2.467) 8.112 5.421 ( 1.230 2.871 -2.059) 3.741 5.535 ( -1.706 -9.088 1.674) 9.397 5.703 ( 0.636 -6.500 6.729) 9.377 5.968 ( 2.249 -3.426 4.747) 6.271 6.084 ( -1.354 -4.092 3.953) 5.848 6.161 ( 4.512 5.571 -0.181) 7.171 6.276 ( -11.403 3.677 1.327) 12.054 6.325 ( 3.282 7.224 2.138) 8.218 6.471 ( -7.131 3.172 -3.446) 8.531 6.534 ( 6.162 -5.027 -3.789) 8.809 6.709 ( -4.252 9.753 3.041) 11.066 6.837 ( 2.040 7.646 -4.504) 9.105 6.902 ( 0.043 -5.929 -1.645) 6.153 6.987 ( 2.363 1.970 -3.268) 4.488 7.091 ( 4.424 4.718 3.852) 7.527 7.260 ( 3.550 -7.190 0.117) 8.020 7.505 ( 2.329 1.147 -2.450) 3.570 7.618 ( 4.591 -4.634 -4.601) 7.982 7.690 ( -2.647 -6.430 -0.175) 6.956 7.923 ( -1.411 -0.711 -1.548) 2.212 8.113 ( 1.191 -3.149 -2.677) 4.301 8.175 ( -0.094 3.960 0.115) 3.963 8.314 ( 1.779 -4.479 -0.259) 4.827 8.454 ( -1.122 -7.897 -2.320) 8.307 8.491 ( 2.336 0.222 -4.604) 5.167 8.577 ( 7.341 -8.287 -4.178) 11.833 8.837 ( -3.815 -6.940 10.127) 12.856 9.331 ( -2.843 10.551 -2.222) 11.151 9.470 ( 0.349 5.578 1.105) 5.697 9.583 ( -4.008 -6.654 -3.092) 8.360 9.911 ( -2.659 0.719 1.075) 2.957 9.965 ( -3.372 2.292 1.214) 4.254 10.115 ( -1.697 2.461 -1.936) 3.561 10.240 ( 5.014 -1.432 -2.678) 5.862 10.284 ( -2.314 1.148 2.859) 3.853 10.534 ( 1.259 -2.893 1.538) 3.510 10.774 ( 2.187 -3.055 0.697) 3.822 10.857 ( 0.059 1.949 -0.455) 2.002 10.995 ( 0.832 5.214 -4.126) 6.701 11.224 ( -6.756 8.203 4.881) 11.695 11.236 ( -1.904 0.435 1.426) 2.418 11.381 ( -0.249 0.739 7.100) 7.143 11.595 ( -0.133 4.681 -1.083) 4.807 11.760 ( 1.592 0.933 3.842) 4.262 12.023 ( 4.206 -0.001 -0.200) 4.211 12.109 ( 0.435 -3.921 -0.846) 4.035 12.313 ( 1.565 -0.761 -1.111) 2.065 12.487 ( -5.624 0.247 2.281) 6.074 12.638 ( -2.430 3.072 -2.233) 4.509 12.905 ( -2.062 2.324 -1.215) 3.336 12.937 ( 4.620 -4.618 2.632) 7.042 13.339 ( 1.062 1.877 -1.282) 2.509 13.604 ( -2.669 -6.176 0.921) 6.791 13.726 ( 2.357 6.625 4.577) 8.390 14.044 ( 0.471 -3.394 -0.840) 3.528 14.089 ( -2.724 8.588 1.681) 9.165 14.362 ( 5.255 -8.349 -1.105) 9.927 14.613 ( -1.083 -2.364 -0.748) 2.706 14.997 ( -0.502 -1.108 -2.440) 2.727 15.501 ( 5.248 2.158 -7.385) 9.313 15.689 ( 7.410 -2.479 -8.246) 11.360 18.423 ( -8.516 -2.857 4.469) 10.033 18.657 ( 7.055 12.032 4.179) 14.560 19.081 ( -3.189 -6.964 3.421) 8.389 19.480 ( -9.752 -4.471 2.557) 11.028 20.261 ( 6.535 6.726 -5.466) 10.854 20.438 ( -3.887 -2.923 -2.709) 5.567 ======================= Grid point 69 (34/116) ======================= q-point: (-0.14 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -6.366 24.042 2.868) 25.035 1.774 ( 8.844 14.740 5.368) 18.008 2.028 ( 4.033 -4.364 6.478) 8.791 2.311 ( 6.869 -3.048 -3.301) 8.208 2.634 ( 0.609 -0.469 2.023) 2.164 2.868 ( -1.298 1.538 0.851) 2.185 3.110 ( 11.626 6.082 5.090) 14.073 3.185 ( 7.090 5.066 5.291) 10.194 3.260 ( 1.353 1.463 0.350) 2.023 3.404 ( -4.990 2.683 4.568) 7.278 3.668 ( -7.232 1.732 -0.091) 7.437 3.756 ( -6.258 -6.688 8.142) 12.255 3.929 ( -3.843 0.219 5.256) 6.515 4.127 ( 1.955 -7.415 -0.856) 7.716 4.184 ( -0.262 3.189 2.424) 4.014 4.368 ( -2.308 6.156 3.460) 7.429 4.548 ( -3.329 1.516 -0.885) 3.764 4.662 ( 13.485 5.331 -5.594) 15.542 4.794 ( -11.422 -3.477 -4.606) 12.797 4.982 ( 1.911 4.022 -1.154) 4.600 5.080 ( 0.909 2.887 -4.509) 5.431 5.265 ( 2.394 -4.743 -5.740) 7.821 5.374 ( -0.215 -2.956 -4.384) 5.292 5.409 ( -1.126 -7.515 0.168) 7.600 5.680 ( -1.172 -8.173 7.222) 10.970 5.815 ( -2.514 6.687 1.196) 7.244 5.919 ( -8.837 -5.843 2.903) 10.984 6.035 ( -6.760 8.096 0.087) 10.548 6.187 ( 9.349 1.368 3.339) 10.021 6.234 ( -2.983 2.404 -2.153) 4.395 6.255 ( -4.994 -2.558 -0.267) 5.617 6.364 ( -2.885 0.998 2.939) 4.237 6.562 ( 0.272 6.112 5.687) 8.354 6.633 ( 3.625 -2.908 -1.439) 4.865 6.792 ( 6.486 3.523 0.236) 7.385 6.930 ( -1.886 1.787 -0.076) 2.599 7.025 ( 5.978 -2.071 -4.407) 7.710 7.154 ( 6.544 -0.867 2.683) 7.126 7.352 ( 0.468 -4.239 -1.376) 4.481 7.548 ( 2.573 -3.617 -1.463) 4.673 7.713 ( 5.315 -5.765 -7.070) 10.558 7.734 ( -3.105 -6.149 -0.674) 6.922 7.881 ( -1.804 1.720 -2.909) 3.831 8.088 ( -5.572 -3.588 -1.390) 6.772 8.206 ( 3.965 0.809 2.301) 4.655 8.348 ( -2.125 -3.369 -2.950) 4.957 8.460 ( 1.412 0.514 -2.876) 3.245 8.550 ( 3.583 -4.701 -2.610) 6.462 8.738 ( 0.047 -8.719 -2.526) 9.078 8.997 ( 0.584 -7.474 5.592) 9.353 9.147 ( -1.612 8.824 0.222) 8.973 9.343 ( -2.822 10.247 2.683) 10.962 9.588 ( -1.818 -5.844 -9.265) 11.104 9.762 ( -5.257 8.973 -0.397) 10.408 9.976 ( -2.938 -3.115 3.747) 5.689 10.067 ( 1.225 1.373 -1.167) 2.179 10.292 ( 0.766 -1.602 0.483) 1.840 10.300 ( 3.342 0.665 1.086) 3.576 10.566 ( 2.315 0.825 -0.919) 2.624 10.748 ( -2.425 4.329 0.929) 5.048 10.855 ( -3.886 1.259 -2.467) 4.772 10.976 ( 3.165 -2.154 3.976) 5.520 11.100 ( -2.459 5.321 4.572) 7.434 11.234 ( 0.443 -0.890 0.383) 1.065 11.400 ( -2.127 2.670 6.973) 7.764 11.517 ( 0.464 4.611 -0.534) 4.665 11.788 ( 1.879 1.936 0.966) 2.866 12.026 ( 4.035 4.239 -2.692) 6.442 12.178 ( -0.218 -5.592 -0.940) 5.674 12.300 ( -2.702 2.391 0.330) 3.622 12.373 ( -4.966 6.134 -1.664) 8.065 12.572 ( 1.756 0.492 -1.444) 2.326 12.875 ( 0.888 0.341 0.010) 0.951 13.159 ( 0.381 -11.175 7.256) 13.330 13.315 ( 0.354 0.352 -0.590) 0.773 13.691 ( 3.501 -4.522 0.613) 5.751 13.744 ( 1.061 -0.339 5.589) 5.699 13.956 ( -3.052 4.195 2.172) 5.624 14.101 ( -0.340 -1.415 -0.164) 1.464 14.463 ( -1.931 -4.918 0.169) 5.286 14.709 ( 8.389 -4.454 0.048) 9.498 15.005 ( 1.771 -2.566 -4.192) 5.224 15.469 ( 4.370 1.865 -6.267) 7.865 15.704 ( 6.000 1.196 -9.550) 11.342 18.360 ( -6.464 2.234 3.773) 7.811 18.696 ( 6.631 2.405 6.020) 9.273 19.038 ( -9.533 5.261 -2.288) 11.126 19.453 ( -10.411 -7.571 3.253) 13.277 20.118 ( 2.247 11.773 -2.845) 12.319 20.457 ( 0.521 -4.565 -4.228) 6.244 ======================= Grid point 73 (35/116) ======================= q-point: ( 0.43 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 11.321 0.000 -14.085) 18.071 2.318 ( 0.910 0.000 -7.659) 7.713 2.373 ( -8.597 -0.000 -2.389) 8.923 2.832 ( -3.562 -0.000 1.744) 3.966 2.953 ( -1.992 -0.000 2.003) 2.824 3.041 ( 0.434 0.000 -11.520) 11.529 3.042 ( -9.852 -0.000 10.592) 14.466 3.261 ( -1.736 -0.000 9.354) 9.514 3.312 ( 4.265 0.000 -1.905) 4.671 3.580 ( 7.071 0.000 -0.698) 7.105 3.776 ( -2.498 -0.000 0.506) 2.548 3.816 ( 0.389 0.000 -6.024) 6.036 3.826 ( 0.047 0.000 3.213) 3.214 4.071 ( -1.510 -0.000 10.716) 10.822 4.153 ( 0.994 0.000 -10.617) 10.664 4.280 ( 7.078 0.000 -0.550) 7.099 4.486 ( 8.656 0.000 -3.209) 9.232 4.644 ( 7.836 0.000 3.015) 8.395 4.715 ( 4.055 0.000 6.588) 7.736 4.929 ( -9.426 -0.000 3.038) 9.903 5.050 ( -3.528 -0.000 -2.097) 4.104 5.121 ( -1.780 -0.000 6.779) 7.009 5.311 ( 1.542 0.000 -5.919) 6.116 5.533 ( -8.586 -0.000 3.960) 9.455 5.612 ( -4.098 -0.000 5.120) 6.558 5.747 ( -2.574 -0.000 -4.102) 4.842 5.838 ( 0.326 0.000 11.358) 11.363 5.954 ( -9.154 -0.000 0.542) 9.170 6.011 ( 6.585 0.000 -2.170) 6.934 6.248 ( -3.051 -0.000 -0.396) 3.077 6.364 ( 7.680 0.000 -0.790) 7.721 6.635 ( -5.723 -0.000 4.666) 7.384 6.648 ( 3.880 0.000 -3.011) 4.911 6.720 ( -2.472 -0.000 -0.405) 2.505 6.732 ( 4.561 0.000 -7.886) 9.110 6.858 ( 3.584 0.000 -3.967) 5.347 6.939 ( 10.136 0.000 -3.146) 10.613 7.315 ( 5.621 0.000 -2.489) 6.147 7.381 ( -6.501 -0.000 3.193) 7.243 7.388 ( 1.284 0.000 2.497) 2.807 7.720 ( -10.588 -0.000 -3.764) 11.237 7.772 ( 0.993 0.000 -0.643) 1.183 7.966 ( 8.639 0.000 -4.826) 9.896 8.032 ( -5.095 -0.000 -3.833) 6.376 8.099 ( 0.406 0.000 3.102) 3.129 8.238 ( -9.105 -0.000 5.462) 10.617 8.272 ( -3.718 -0.000 -0.801) 3.803 8.346 ( 8.234 0.000 -6.855) 10.714 8.564 ( 4.752 0.000 -6.721) 8.231 8.639 ( -0.595 -0.000 6.723) 6.749 9.160 ( -2.086 -0.000 1.441) 2.536 9.711 ( -2.066 -0.000 0.611) 2.155 9.770 ( 7.082 0.000 2.657) 7.564 9.940 ( 2.276 0.000 -2.860) 3.655 9.943 ( -9.398 -0.000 -2.127) 9.636 10.082 ( -1.472 -0.000 -1.751) 2.287 10.268 ( -5.815 -0.000 9.104) 10.802 10.308 ( -0.136 -0.000 0.913) 0.923 10.356 ( -0.664 -0.000 0.627) 0.913 10.770 ( 0.221 0.000 -2.723) 2.732 10.887 ( 3.929 0.000 -3.311) 5.139 11.170 ( 2.058 0.000 -2.738) 3.426 11.244 ( 0.100 0.000 3.178) 3.180 11.293 ( -0.379 -0.000 5.802) 5.814 11.541 ( 6.577 0.000 0.071) 6.577 11.721 ( 1.770 0.000 0.758) 1.926 11.771 ( 3.720 0.000 3.534) 5.131 11.843 ( -1.445 -0.000 2.789) 3.142 12.011 ( -3.833 -0.000 -0.842) 3.924 12.115 ( 3.572 0.000 -4.855) 6.027 12.594 ( -4.031 -0.000 6.145) 7.350 12.749 ( -3.105 -0.000 0.255) 3.116 12.807 ( 2.411 0.000 -1.202) 2.694 13.041 ( 0.942 0.000 -0.468) 1.052 13.454 ( -7.878 -0.000 -2.222) 8.186 13.454 ( -0.696 0.000 1.401) 1.564 13.947 ( 10.060 0.000 -8.330) 13.061 13.976 ( -1.669 -0.000 0.454) 1.730 14.056 ( -4.360 -0.000 2.436) 4.995 14.420 ( -2.829 -0.000 -0.486) 2.871 14.456 ( -9.281 -0.000 5.289) 10.682 15.069 ( -2.038 -0.000 0.004) 2.038 15.519 ( 8.903 0.000 -11.417) 14.478 15.611 ( 9.183 0.000 -8.629) 12.601 18.382 ( -6.151 -0.000 12.468) 13.902 18.778 ( -0.109 -0.000 2.757) 2.759 19.003 ( 4.546 0.000 -2.377) 5.130 19.449 ( -6.723 -0.000 5.339) 8.585 20.096 ( 9.031 0.000 -6.582) 11.175 20.620 ( -3.450 -0.000 1.039) 3.604 ======================= Grid point 75 (36/116) ======================= q-point: (-0.43 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 11.218 2.042 -13.404) 17.598 2.269 ( 4.590 6.114 -3.572) 8.439 2.368 ( 2.055 -7.220 0.227) 7.510 2.635 ( -4.042 13.927 -3.662) 14.957 2.741 ( -5.926 11.159 -12.918) 18.070 2.972 ( -10.313 -3.697 1.873) 11.115 3.078 ( 1.993 -4.258 3.550) 5.891 3.202 ( -0.067 14.312 -3.100) 14.644 3.415 ( 1.253 -1.880 10.818) 11.051 3.534 ( -1.559 4.876 -12.044) 13.086 3.665 ( -1.659 3.391 4.227) 5.667 3.846 ( -8.232 -1.993 2.492) 8.829 3.863 ( 2.747 -3.376 1.433) 4.582 4.149 ( 3.789 -1.138 4.992) 6.370 4.165 ( 7.516 0.863 -0.185) 7.567 4.434 ( 3.449 -10.238 1.885) 10.967 4.565 ( -1.152 -2.238 -1.004) 2.710 4.616 ( -1.902 7.114 -1.260) 7.471 4.720 ( 0.911 1.149 3.818) 4.090 5.020 ( -6.058 -8.573 2.658) 10.829 5.031 ( -0.904 0.588 6.262) 6.354 5.143 ( 0.119 1.341 -1.711) 2.177 5.385 ( -2.524 7.143 1.808) 7.788 5.412 ( 9.224 -10.177 -3.348) 14.137 5.485 ( -5.559 8.263 0.742) 9.987 5.670 ( -5.485 2.463 3.895) 7.164 5.914 ( -8.056 -8.075 4.804) 12.376 5.962 ( 4.541 3.880 6.581) 8.888 6.092 ( 2.620 -3.788 -0.790) 4.673 6.250 ( -3.249 -3.111 -4.475) 6.345 6.385 ( 1.842 -1.198 3.436) 4.078 6.583 ( -2.361 4.381 -4.447) 6.674 6.615 ( -5.297 4.146 0.192) 6.729 6.753 ( 7.063 -0.696 -3.107) 7.748 6.771 ( 0.936 -12.289 -3.951) 12.942 6.871 ( 7.809 3.260 -2.119) 8.723 7.093 ( 9.872 -3.109 -1.721) 10.492 7.175 ( -11.774 6.834 1.648) 13.713 7.346 ( 6.203 7.346 0.724) 9.642 7.519 ( 1.814 -4.507 1.082) 4.977 7.539 ( -4.123 0.735 -4.561) 6.192 7.707 ( 0.768 7.326 -1.936) 7.616 7.909 ( -5.035 0.196 -5.427) 7.405 8.054 ( 6.252 -0.929 -1.166) 6.427 8.162 ( 4.440 -4.543 -1.882) 6.625 8.225 ( -2.602 -2.314 -2.751) 4.438 8.258 ( -4.400 -3.237 7.708) 9.447 8.450 ( 10.837 -1.367 -2.533) 11.212 8.529 ( 4.095 3.322 -6.328) 8.237 8.712 ( -2.827 -1.923 9.895) 10.469 9.202 ( -3.338 -9.885 -1.786) 10.585 9.605 ( -4.937 6.800 -2.247) 8.699 9.754 ( -2.578 6.313 0.352) 6.828 9.868 ( 0.843 0.002 0.359) 0.917 9.991 ( 2.314 -5.078 -5.724) 7.994 10.084 ( -1.170 -1.282 1.368) 2.210 10.274 ( -0.887 1.397 2.758) 3.217 10.326 ( -2.978 -0.023 4.700) 5.564 10.367 ( 0.070 -2.896 3.284) 4.379 10.743 ( 0.716 0.424 -3.367) 3.468 10.856 ( -1.949 -1.370 -6.060) 6.511 11.139 ( 0.536 3.023 -4.752) 5.658 11.255 ( -0.670 1.011 3.859) 4.045 11.366 ( -0.009 -0.527 7.711) 7.729 11.514 ( -1.539 9.651 2.668) 10.130 11.719 ( -0.544 2.673 1.007) 2.908 11.798 ( 0.838 1.864 4.749) 5.170 11.889 ( -1.351 -6.320 1.396) 6.611 12.083 ( 2.965 -2.667 2.768) 4.854 12.147 ( 5.720 -4.738 -4.274) 8.569 12.558 ( -6.694 2.757 5.355) 9.005 12.709 ( -1.168 1.696 -1.388) 2.484 12.834 ( 1.319 -1.909 -0.326) 2.343 12.973 ( -4.237 1.188 -5.667) 7.175 13.394 ( 1.477 1.421 -0.836) 2.214 13.472 ( -1.484 -2.498 0.799) 3.014 13.912 ( 1.543 1.417 -2.502) 3.263 13.979 ( -1.925 3.780 1.112) 4.385 14.127 ( 10.067 -5.599 -0.395) 11.526 14.343 ( -1.461 5.581 -1.604) 5.988 14.454 ( -7.403 -7.026 3.024) 10.645 15.035 ( -0.181 2.504 -0.605) 2.582 15.535 ( 7.384 -1.604 -11.058) 13.393 15.640 ( 8.674 1.002 -6.950) 11.160 18.384 ( -9.065 0.254 10.007) 13.505 18.832 ( -2.505 -5.805 2.444) 6.779 19.017 ( 6.530 7.924 3.935) 10.996 19.403 ( -7.858 -1.107 2.160) 8.224 20.163 ( 5.343 -5.507 -7.244) 10.553 20.547 ( -3.830 3.811 -1.136) 5.521 ======================= Grid point 76 (37/116) ======================= q-point: (-0.29 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 10.393 1.338 -10.090) 14.547 2.116 ( -9.505 14.794 -7.195) 18.999 2.266 ( 0.269 12.663 -1.756) 12.787 2.491 ( 6.841 8.224 -6.842) 12.698 2.634 ( 8.699 -8.601 4.861) 13.164 2.878 ( -9.952 8.278 0.993) 12.983 2.967 ( -7.421 -1.754 -5.079) 9.163 3.192 ( 4.146 -1.868 2.183) 5.044 3.301 ( 2.411 5.981 -9.861) 11.782 3.516 ( -1.026 -1.421 3.480) 3.896 3.705 ( -3.284 2.858 12.884) 13.599 3.815 ( -4.918 -7.125 0.515) 8.673 3.950 ( 1.188 -2.774 2.176) 3.720 4.079 ( -5.594 10.808 0.882) 12.202 4.312 ( 8.294 -1.689 -0.824) 8.504 4.480 ( -7.904 4.134 5.313) 10.383 4.535 ( 1.193 3.850 0.753) 4.100 4.640 ( -5.756 -9.593 4.926) 12.224 4.781 ( 10.111 -0.770 -2.500) 10.444 4.919 ( -5.982 -0.079 -1.570) 6.185 5.088 ( -1.218 -0.980 -5.787) 5.995 5.192 ( -1.844 -5.240 5.358) 7.718 5.328 ( 7.073 5.327 -2.897) 9.316 5.392 ( -3.487 -1.908 6.088) 7.271 5.527 ( 5.660 5.033 -3.821) 8.483 5.675 ( -4.390 -3.989 7.112) 9.261 5.985 ( -4.099 -5.147 1.693) 6.794 6.044 ( 3.858 -2.868 5.911) 7.619 6.129 ( -8.476 -3.566 -0.121) 9.196 6.212 ( -0.394 -1.656 -2.169) 2.757 6.366 ( -10.578 5.400 2.587) 12.155 6.473 ( -0.902 2.562 1.339) 3.029 6.544 ( 0.981 -1.090 -0.440) 1.531 6.816 ( 5.338 -2.521 -5.857) 8.316 6.832 ( 0.481 6.672 -6.250) 9.155 6.887 ( 6.391 1.120 -1.858) 6.749 7.007 ( 0.039 0.478 -0.719) 0.865 7.189 ( 6.646 1.397 -0.572) 6.815 7.354 ( 1.210 2.345 6.773) 7.269 7.524 ( 3.447 -1.074 -6.886) 7.776 7.590 ( -0.601 -2.081 0.727) 2.285 7.617 ( 4.445 1.994 -1.148) 5.005 7.844 ( -1.099 -2.887 -5.463) 6.276 8.042 ( -4.603 0.222 -2.349) 5.172 8.246 ( 1.070 -2.966 -1.184) 3.368 8.271 ( 7.034 1.080 0.989) 7.185 8.350 ( 0.809 -5.342 3.919) 6.674 8.466 ( 2.915 0.639 -6.621) 7.262 8.603 ( 11.401 -2.064 -3.812) 12.197 8.799 ( -5.040 -4.403 11.018) 12.891 9.271 ( -4.769 -8.111 -6.290) 11.317 9.440 ( -3.464 3.995 0.065) 5.288 9.626 ( -2.724 7.138 1.093) 7.718 9.878 ( -1.708 0.138 -0.048) 1.714 9.964 ( -1.508 2.564 -1.825) 3.490 10.107 ( 1.490 -0.158 -2.183) 2.648 10.272 ( 1.518 1.538 1.590) 2.683 10.327 ( -0.478 0.176 3.873) 3.906 10.499 ( 1.996 -6.307 3.441) 7.457 10.722 ( -3.793 -3.910 -2.245) 5.892 10.800 ( -2.056 -1.197 -5.000) 5.537 11.042 ( -0.079 4.045 -3.257) 5.194 11.261 ( -0.136 2.191 2.634) 3.429 11.306 ( -6.175 7.982 3.686) 10.744 11.465 ( -0.893 1.440 7.690) 7.875 11.653 ( -2.042 4.524 0.529) 4.992 11.845 ( 2.634 0.831 4.429) 5.219 11.989 ( -2.118 -6.919 1.406) 7.372 12.127 ( 4.333 2.617 -0.862) 5.135 12.284 ( 2.862 -6.255 -0.084) 6.879 12.460 ( -6.400 4.113 1.801) 7.818 12.636 ( -0.510 3.501 -2.911) 4.582 12.869 ( -3.378 -2.423 0.335) 4.171 12.915 ( 1.534 -3.875 -0.726) 4.230 13.371 ( 1.140 3.112 -2.871) 4.385 13.521 ( 1.749 -4.794 0.282) 5.111 13.879 ( 0.635 6.991 3.348) 7.777 13.982 ( 1.234 -5.424 -1.118) 5.674 14.201 ( -1.319 8.840 -1.541) 9.070 14.314 ( 2.266 -4.491 2.399) 5.573 14.537 ( 4.112 -8.656 -2.021) 9.794 14.986 ( 1.054 2.690 -2.428) 3.773 15.536 ( 6.930 1.080 -9.081) 11.474 15.678 ( 7.020 -1.117 -6.933) 9.930 18.349 ( -9.162 -0.054 8.242) 12.323 18.892 ( 0.712 -1.146 0.451) 1.422 19.032 ( 0.923 4.666 10.708) 11.717 19.319 ( -9.640 -1.428 -1.195) 9.818 20.250 ( 0.977 -8.614 -5.742) 10.398 20.409 ( -1.090 7.386 -3.402) 8.205 ======================= Grid point 77 (38/116) ======================= q-point: (-0.14 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -8.302 13.807 -1.876) 16.219 1.875 ( 6.924 -1.034 -8.284) 10.846 2.207 ( 4.039 3.540 3.367) 6.339 2.519 ( 15.154 8.168 2.013) 17.332 2.628 ( -6.501 6.428 2.237) 9.412 2.755 ( -13.892 -7.072 1.569) 15.667 3.065 ( 11.279 -13.372 -5.299) 18.278 3.241 ( 5.432 1.693 -4.009) 6.961 3.274 ( 0.541 -3.144 -1.659) 3.596 3.541 ( -5.026 -2.138 3.036) 6.249 3.677 ( -10.096 11.319 4.034) 15.695 3.715 ( -10.203 0.780 5.418) 11.578 3.960 ( -2.286 -0.427 4.710) 5.253 4.071 ( 6.675 -7.475 -3.702) 10.684 4.292 ( 0.345 8.234 1.940) 8.466 4.449 ( 0.319 1.816 2.345) 2.983 4.546 ( 1.304 0.756 5.002) 5.225 4.615 ( -4.959 1.803 -0.975) 5.366 4.805 ( -4.266 1.712 -2.104) 5.055 4.928 ( 3.214 -5.398 -4.331) 7.631 5.057 ( 2.827 1.466 -2.303) 3.930 5.233 ( 2.741 3.243 1.108) 4.388 5.366 ( 0.668 3.590 -2.376) 4.357 5.450 ( 10.447 -0.691 -0.586) 10.486 5.520 ( -4.000 -8.291 4.240) 10.134 5.741 ( -9.313 -5.060 4.389) 11.471 5.923 ( 0.354 3.071 -1.731) 3.543 6.022 ( -11.276 5.064 3.832) 12.941 6.099 ( -10.692 -3.492 2.250) 11.471 6.234 ( 1.740 -1.424 0.232) 2.261 6.327 ( 3.962 0.304 3.639) 5.388 6.397 ( -4.516 2.597 3.949) 6.537 6.608 ( 1.406 -2.142 -1.325) 2.885 6.679 ( 1.180 4.956 -1.170) 5.227 6.869 ( -2.440 1.906 0.020) 3.096 6.905 ( 8.783 -2.368 -5.254) 10.505 7.023 ( 6.536 0.112 -7.485) 9.938 7.299 ( 4.721 -5.134 0.773) 7.017 7.345 ( 0.900 6.029 5.666) 8.323 7.539 ( 2.304 -0.956 -2.446) 3.494 7.573 ( -1.202 -3.701 -4.382) 5.860 7.715 ( 7.525 -1.781 -2.804) 8.225 7.839 ( -0.580 -1.565 -3.418) 3.803 7.974 ( -3.341 -0.867 -0.564) 3.497 8.252 ( -1.557 -1.229 -2.212) 2.971 8.325 ( 6.174 3.997 0.842) 7.403 8.404 ( -2.026 -2.363 -2.725) 4.137 8.530 ( 5.631 -4.771 -0.604) 7.405 8.667 ( 1.492 1.050 -1.966) 2.682 8.945 ( 1.334 -8.364 5.437) 10.064 9.220 ( -2.827 1.500 0.602) 3.256 9.379 ( -5.081 -1.856 -5.474) 7.696 9.520 ( 1.808 7.946 2.219) 8.446 9.819 ( -2.489 2.394 -0.374) 3.474 9.908 ( -2.952 0.497 1.867) 3.528 10.090 ( 0.047 0.341 -0.736) 0.812 10.305 ( 1.760 -0.108 2.763) 3.278 10.379 ( 4.422 0.296 1.989) 4.858 10.576 ( -0.024 -0.996 -1.703) 1.973 10.683 ( -6.418 -2.749 -5.310) 8.771 10.793 ( -0.930 -2.280 1.387) 2.826 10.997 ( -1.788 0.123 2.697) 3.239 11.193 ( -0.711 4.694 2.788) 5.505 11.251 ( 0.327 0.931 0.730) 1.227 11.477 ( -3.749 2.888 7.277) 8.681 11.576 ( -0.412 3.050 0.080) 3.079 11.884 ( 3.983 3.828 1.286) 5.672 12.051 ( -3.926 -5.995 -1.086) 7.248 12.104 ( 1.939 3.337 -1.274) 4.064 12.304 ( -4.218 4.852 -3.333) 7.242 12.385 ( 0.506 -2.366 2.466) 3.455 12.587 ( 1.785 1.992 -0.208) 2.683 12.879 ( -0.263 -1.542 0.156) 1.572 13.042 ( -2.321 -8.361 4.504) 9.776 13.309 ( -0.317 0.782 -2.149) 2.308 13.645 ( 4.194 -6.041 -1.705) 7.549 13.831 ( 0.796 3.538 3.393) 4.966 14.007 ( -1.870 4.992 -2.333) 5.819 14.094 ( 0.348 0.148 1.337) 1.389 14.354 ( -4.676 -3.170 1.773) 5.921 14.747 ( 10.703 -6.522 -1.320) 12.603 14.954 ( 2.016 -1.051 -5.051) 5.539 15.517 ( 6.647 2.873 -7.228) 10.231 15.699 ( 4.967 -0.104 -7.736) 9.193 18.319 ( -6.981 -0.446 6.285) 9.404 18.902 ( 4.858 4.518 0.635) 6.664 19.017 ( -8.130 5.657 6.393) 11.789 19.256 ( -6.991 -6.190 4.219) 10.246 20.238 ( -2.813 4.713 -2.912) 6.214 20.361 ( 4.711 -4.395 -4.132) 7.654 ======================= Grid point 82 (39/116) ======================= q-point: (-0.43 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 11.945 0.000 -13.933) 18.353 2.332 ( 4.206 0.000 2.303) 4.795 2.407 ( 4.714 0.000 -6.906) 8.361 2.517 ( -16.659 -0.000 -7.594) 18.308 2.649 ( -0.532 -0.000 -13.224) 13.234 2.860 ( -6.280 -0.000 3.821) 7.351 3.133 ( 5.908 0.000 3.566) 6.900 3.251 ( -0.880 -0.000 -10.090) 10.128 3.484 ( -1.626 -0.000 -12.594) 12.699 3.494 ( -1.304 -0.000 -6.366) 6.498 3.581 ( -2.367 -0.000 15.117) 15.301 3.801 ( -3.281 -0.000 -0.716) 3.358 3.842 ( -8.550 -0.000 6.401) 10.681 4.265 ( -0.946 -0.000 13.955) 13.987 4.316 ( 17.048 0.000 -3.792) 17.465 4.389 ( -2.348 -0.000 3.023) 3.828 4.419 ( -13.342 -0.000 -1.178) 13.394 4.616 ( -9.308 -0.000 3.905) 10.094 4.699 ( 2.430 0.000 -2.112) 3.220 5.044 ( -6.814 -0.000 4.465) 8.146 5.050 ( 4.635 0.000 5.810) 7.432 5.276 ( 3.834 0.000 3.547) 5.223 5.347 ( 11.203 0.000 -6.745) 13.077 5.408 ( -1.174 -0.000 7.885) 7.972 5.555 ( 1.267 0.000 0.554) 1.383 5.713 ( 0.265 0.000 -0.292) 0.394 5.742 ( -8.577 -0.000 4.514) 9.692 6.022 ( 2.462 0.000 -7.248) 7.654 6.078 ( 0.952 0.000 0.340) 1.011 6.223 ( -3.413 -0.000 6.695) 7.514 6.395 ( -7.372 -0.000 0.888) 7.426 6.546 ( -5.306 -0.000 -0.943) 5.389 6.562 ( -1.506 -0.000 0.050) 1.507 6.633 ( 5.410 0.000 -6.913) 8.778 6.837 ( 7.834 0.000 -2.289) 8.162 7.050 ( 8.719 0.000 2.959) 9.207 7.081 ( -12.149 -0.000 0.952) 12.186 7.159 ( 11.071 0.000 -1.960) 11.243 7.395 ( -9.599 -0.000 -0.408) 9.608 7.504 ( 11.246 0.000 -10.786) 15.582 7.531 ( 0.196 0.000 6.881) 6.883 7.756 ( 0.909 0.000 -4.728) 4.815 7.796 ( -3.090 -0.000 -3.273) 4.501 8.038 ( -4.779 -0.000 -3.187) 5.745 8.182 ( 8.677 0.000 -4.059) 9.579 8.250 ( 12.778 0.000 0.160) 12.779 8.281 ( -1.632 -0.000 8.520) 8.675 8.551 ( 8.496 0.000 -1.224) 8.584 8.561 ( 4.271 0.000 -7.139) 8.319 8.757 ( -2.877 -0.000 10.567) 10.951 9.050 ( -5.033 -0.000 -1.882) 5.373 9.563 ( -5.888 -0.000 -3.259) 6.730 9.688 ( -8.722 -0.000 0.051) 8.722 9.943 ( 6.320 0.000 -4.274) 7.630 9.992 ( 7.148 0.000 0.153) 7.150 10.051 ( -3.885 -0.000 2.847) 4.817 10.312 ( -2.005 -0.000 1.585) 2.556 10.317 ( -2.403 -0.000 6.351) 6.791 10.374 ( 1.421 0.000 1.117) 1.808 10.720 ( -0.178 -0.000 -3.640) 3.644 10.732 ( -5.201 -0.000 -6.125) 8.035 11.099 ( -0.890 -0.000 -7.777) 7.827 11.308 ( 0.661 0.000 4.785) 4.831 11.415 ( -3.400 -0.000 7.979) 8.674 11.593 ( -7.556 -0.000 3.745) 8.433 11.696 ( -3.737 -0.000 -1.434) 4.003 11.828 ( -0.038 -0.000 5.635) 5.635 11.850 ( -1.140 -0.000 3.136) 3.336 12.149 ( 4.787 0.000 6.125) 7.774 12.165 ( 4.485 0.000 -3.072) 5.436 12.558 ( -4.951 -0.000 4.902) 6.967 12.702 ( 0.914 0.000 -1.981) 2.181 12.810 ( -5.572 -0.000 -2.266) 6.016 12.855 ( 1.080 0.000 -7.214) 7.294 13.446 ( -0.799 -0.000 0.002) 0.799 13.447 ( 6.430 0.000 -3.087) 7.133 13.873 ( -0.547 -0.000 -2.411) 2.473 14.062 ( 0.937 0.000 2.344) 2.524 14.211 ( 12.592 0.000 -0.666) 12.610 14.328 ( -7.624 -0.000 3.376) 8.338 14.362 ( 1.435 0.000 -3.622) 3.896 15.065 ( 1.769 0.000 -0.264) 1.788 15.507 ( 6.521 0.000 -10.547) 12.400 15.692 ( 8.413 0.000 -7.446) 11.235 18.369 ( -10.949 -0.000 13.520) 17.397 18.761 ( -4.281 -0.000 1.474) 4.528 19.215 ( 5.697 0.000 8.086) 9.892 19.305 ( -7.285 -0.000 -1.134) 7.373 20.078 ( -0.995 -0.000 -6.858) 6.930 20.520 ( -1.428 -0.000 -3.850) 4.106 ======================= Grid point 83 (40/116) ======================= q-point: (-0.29 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 8.164 -0.934 -12.084) 14.613 2.026 ( -19.139 13.074 -11.314) 25.792 2.373 ( -13.769 -10.798 -8.832) 19.601 2.414 ( 7.428 4.838 -1.180) 8.943 2.714 ( 13.311 -3.560 -5.301) 14.763 2.786 ( -5.660 6.952 11.757) 14.785 3.015 ( 1.059 7.133 -14.776) 16.442 3.238 ( 2.507 0.449 -3.672) 4.469 3.382 ( 9.628 4.502 -0.761) 10.656 3.493 ( -7.243 -3.154 -3.848) 8.788 3.617 ( -16.753 -8.033 2.400) 18.734 3.727 ( -4.775 1.197 5.335) 7.260 3.772 ( -7.680 -4.407 -3.344) 9.465 4.176 ( -4.422 11.887 3.002) 13.033 4.407 ( -4.585 -6.375 1.457) 7.986 4.441 ( -4.220 -3.642 9.487) 11.003 4.472 ( 3.897 0.160 2.779) 4.790 4.615 ( 3.149 -2.837 3.459) 5.471 4.759 ( -2.332 -8.112 0.431) 8.451 4.952 ( 0.299 5.465 4.545) 7.114 5.117 ( 0.060 5.222 -0.700) 5.269 5.227 ( 7.049 4.253 1.614) 8.389 5.422 ( -0.281 3.865 5.946) 7.097 5.551 ( 12.742 3.523 -2.348) 13.427 5.609 ( -3.190 -0.703 2.037) 3.850 5.639 ( 6.792 -1.315 0.607) 6.944 5.841 ( -4.731 -6.546 2.502) 8.455 5.935 ( -8.288 -2.914 -6.939) 11.195 6.103 ( 0.960 -1.463 2.865) 3.357 6.194 ( -1.643 2.237 2.967) 4.063 6.302 ( -9.349 -0.062 2.984) 9.814 6.492 ( -2.313 0.712 -1.244) 2.721 6.541 ( 0.905 1.133 0.434) 1.514 6.722 ( 4.173 -7.149 -8.286) 11.713 6.860 ( 4.508 3.956 -3.009) 6.710 6.974 ( -2.807 -1.135 -0.573) 3.082 7.068 ( 0.408 7.365 3.936) 8.361 7.307 ( -4.475 -1.219 0.320) 4.649 7.317 ( 6.836 -3.547 0.029) 7.702 7.511 ( 5.571 2.639 -5.983) 8.591 7.604 ( 2.992 0.024 2.203) 3.716 7.725 ( 6.079 -0.346 -4.494) 7.568 7.762 ( -0.110 1.367 -0.232) 1.391 7.973 ( -1.600 -1.221 -3.731) 4.239 8.234 ( 5.047 -0.042 -4.647) 6.861 8.361 ( 4.465 -0.223 4.894) 6.629 8.436 ( 8.205 1.463 1.856) 8.539 8.492 ( 6.354 3.183 -6.314) 9.506 8.658 ( 7.925 -4.004 -2.747) 9.294 8.795 ( -5.406 0.641 9.304) 10.780 9.048 ( -3.143 -7.632 -3.297) 8.888 9.443 ( -4.937 3.338 0.620) 5.991 9.606 ( -7.482 -1.187 1.587) 7.740 9.942 ( -1.032 7.404 1.265) 7.582 9.982 ( 3.601 1.243 -1.950) 4.280 10.095 ( -0.993 -2.071 0.058) 2.297 10.305 ( -0.184 0.428 1.426) 1.500 10.345 ( 0.811 -1.627 2.979) 3.490 10.463 ( 0.415 -7.515 2.781) 8.023 10.592 ( -4.395 2.940 -4.340) 6.841 10.723 ( -0.295 -3.329 -3.459) 4.809 11.013 ( -1.046 -0.158 -7.214) 7.291 11.327 ( -1.444 3.484 4.389) 5.787 11.374 ( -6.041 6.281 4.523) 9.818 11.497 ( -6.049 -0.537 5.478) 8.178 11.650 ( -5.488 0.057 -0.057) 5.488 11.875 ( -0.001 -2.602 2.867) 3.872 11.929 ( 0.380 -2.359 6.114) 6.565 12.152 ( -2.729 -0.515 -2.562) 3.778 12.253 ( 0.749 -2.197 3.812) 4.463 12.479 ( -4.470 6.708 0.385) 8.070 12.683 ( 1.945 1.349 -2.187) 3.223 12.767 ( 0.722 -4.596 -2.377) 5.225 12.888 ( 3.160 -2.341 -0.231) 3.939 13.404 ( 1.062 3.891 -4.549) 6.080 13.505 ( 5.606 -2.522 -3.298) 6.976 13.884 ( -2.077 -3.831 -0.330) 4.371 14.031 ( 2.278 6.190 2.234) 6.963 14.247 ( -5.427 3.538 0.222) 6.483 14.341 ( 3.480 1.073 -0.510) 3.677 14.462 ( 11.943 -10.323 -2.991) 16.067 15.049 ( 2.408 4.964 -1.738) 5.785 15.518 ( 6.254 -2.875 -9.276) 11.551 15.709 ( 7.348 1.348 -7.854) 10.840 18.351 ( -10.337 2.609 15.396) 18.727 18.770 ( -5.550 -7.506 2.573) 9.683 19.173 ( -10.425 1.779 0.519) 10.588 19.309 ( 6.215 7.126 6.921) 11.718 20.051 ( -4.210 -8.253 -4.901) 10.481 20.452 ( 1.467 3.094 -5.454) 6.440 ======================= Grid point 84 (41/116) ======================= q-point: (-0.14 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -21.802 3.468 -1.836) 22.153 1.846 ( 6.380 -4.185 -11.033) 13.415 2.229 ( -12.906 -2.114 -5.911) 14.352 2.429 ( -2.335 2.286 2.581) 4.164 2.697 ( 5.407 4.498 0.093) 7.034 2.801 ( 4.015 2.190 -7.996) 9.211 3.046 ( 12.494 -8.763 -0.153) 15.262 3.203 ( -6.593 -1.461 -7.447) 10.053 3.306 ( -8.164 0.361 1.847) 8.378 3.443 ( -1.587 1.487 2.827) 3.566 3.518 ( -16.217 -4.788 -3.162) 17.202 3.718 ( -3.574 5.080 5.653) 8.399 3.772 ( -1.851 -10.192 -3.210) 10.844 4.038 ( 2.327 0.498 -5.398) 5.899 4.383 ( -4.524 0.855 -4.042) 6.126 4.451 ( -3.123 4.099 6.484) 8.282 4.562 ( 1.311 -3.013 4.964) 5.953 4.697 ( -1.797 2.288 10.307) 10.710 4.874 ( 5.829 0.701 3.188) 6.681 4.978 ( 6.289 2.846 -1.015) 6.977 5.043 ( -1.672 -3.216 -0.140) 3.628 5.292 ( 3.717 -0.529 0.390) 3.775 5.414 ( 1.066 8.902 4.951) 10.242 5.541 ( -5.153 1.103 4.076) 6.663 5.615 ( 10.518 4.636 -5.610) 12.791 5.654 ( 0.572 2.691 -0.511) 2.799 5.800 ( -1.898 -6.975 -8.620) 11.249 5.957 ( -9.895 -3.106 10.337) 14.643 6.067 ( -5.337 5.595 3.547) 8.507 6.206 ( 0.948 -4.343 0.573) 4.482 6.335 ( -2.502 -6.286 5.512) 8.727 6.407 ( -1.619 5.860 -1.584) 6.282 6.587 ( 2.244 -5.006 0.281) 5.493 6.700 ( -2.228 1.383 -5.818) 6.382 6.831 ( 3.306 1.343 -4.945) 6.098 6.968 ( -4.601 4.144 1.676) 6.415 7.045 ( 8.749 -2.405 -5.440) 10.580 7.287 ( -5.793 -3.104 0.163) 6.575 7.387 ( 5.369 2.063 1.104) 5.857 7.541 ( 4.351 -1.622 -2.907) 5.479 7.567 ( 2.579 5.568 -3.838) 7.238 7.792 ( 1.092 -3.085 0.701) 3.347 7.813 ( 8.842 1.350 0.604) 8.964 7.956 ( 2.086 0.413 -3.140) 3.793 8.234 ( 2.426 1.165 -3.147) 4.141 8.343 ( -2.213 2.045 -3.407) 4.549 8.487 ( 9.887 0.877 -2.015) 10.128 8.558 ( 4.195 2.926 1.888) 5.452 8.728 ( 0.080 4.623 1.000) 4.731 8.882 ( 3.393 -9.939 3.981) 11.231 9.100 ( -0.220 -7.421 -3.624) 8.261 9.346 ( -6.340 5.357 2.540) 8.680 9.605 ( -1.986 -4.368 5.034) 6.954 9.821 ( -1.953 7.080 2.177) 7.660 9.972 ( 2.865 3.666 -0.498) 4.679 10.068 ( -4.815 -0.019 1.310) 4.990 10.337 ( 0.223 -2.294 2.250) 3.221 10.429 ( 3.929 -2.315 -0.610) 4.601 10.441 ( -8.397 -1.127 -3.542) 9.182 10.617 ( 4.326 -2.825 -0.513) 5.192 10.750 ( 0.475 -3.643 -0.508) 3.709 10.964 ( -2.524 -1.747 -2.251) 3.806 11.234 ( -4.639 3.270 1.867) 5.974 11.305 ( -0.999 4.263 2.806) 5.200 11.490 ( -7.492 -0.350 5.879) 9.530 11.582 ( -3.443 0.360 0.904) 3.578 11.911 ( -5.590 0.063 -0.972) 5.674 11.997 ( 5.066 -2.118 2.814) 6.170 12.125 ( -1.920 -1.489 0.502) 2.481 12.263 ( -4.433 0.742 -3.183) 5.508 12.373 ( -0.056 0.469 3.327) 3.360 12.679 ( 1.289 2.753 1.301) 3.307 12.828 ( 1.933 -2.698 -1.861) 3.805 12.989 ( 3.273 -3.670 1.937) 5.285 13.303 ( 0.463 3.339 -5.661) 6.589 13.586 ( 3.526 -4.545 -5.386) 7.881 13.882 ( -2.603 -0.573 2.491) 3.648 14.025 ( 0.146 2.887 0.450) 2.926 14.104 ( -3.914 3.686 -0.826) 5.439 14.351 ( 2.640 2.385 -0.104) 3.560 14.745 ( 12.021 -9.987 -2.958) 15.906 14.956 ( 0.435 5.458 -4.317) 6.972 15.555 ( 6.103 -0.690 -6.968) 9.288 15.699 ( 5.776 1.061 -8.199) 10.086 18.314 ( -7.587 2.390 9.917) 12.713 18.883 ( -3.265 -8.397 5.567) 10.590 18.999 ( -9.801 4.289 0.513) 10.710 19.342 ( 3.788 5.988 10.892) 12.994 20.101 ( -4.514 -9.027 -2.577) 10.416 20.400 ( 5.250 2.094 -4.694) 7.347 ======================= Grid point 90 (42/116) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -19.617 -0.000 -11.369) 22.673 1.771 ( -26.563 -0.000 -14.011) 30.031 2.162 ( 11.052 0.000 -5.242) 12.232 2.512 ( -3.792 -0.000 -2.308) 4.439 2.802 ( 8.062 0.000 -5.225) 9.607 2.823 ( -15.512 -0.000 17.528) 23.406 2.924 ( 2.651 0.000 -18.264) 18.455 3.229 ( 3.545 0.000 -12.312) 12.812 3.281 ( -10.285 -0.000 -5.543) 11.684 3.316 ( -4.855 -0.000 -3.846) 6.194 3.534 ( -9.041 -0.000 -2.300) 9.329 3.578 ( 11.190 0.000 1.035) 11.238 3.869 ( 0.434 0.000 5.240) 5.258 4.188 ( -16.954 -0.000 6.564) 18.180 4.288 ( -1.982 -0.000 1.913) 2.755 4.461 ( -8.315 -0.000 16.779) 18.726 4.635 ( 3.787 0.000 4.634) 5.985 4.637 ( -0.676 -0.000 4.157) 4.211 4.691 ( 12.155 0.000 -4.017) 12.802 4.972 ( -8.681 -0.000 9.119) 12.590 5.202 ( 8.126 0.000 -4.693) 9.384 5.374 ( 2.540 0.000 2.487) 3.555 5.490 ( 1.289 0.000 -2.911) 3.183 5.560 ( 3.095 0.000 -5.844) 6.613 5.681 ( -9.766 -0.000 1.879) 9.945 5.698 ( 11.217 0.000 -4.695) 12.160 5.784 ( 2.762 0.000 6.149) 6.741 5.792 ( -3.433 -0.000 0.354) 3.452 6.115 ( 1.295 0.000 2.435) 2.758 6.219 ( -8.520 -0.000 5.251) 10.008 6.244 ( 4.072 0.000 -2.253) 4.654 6.452 ( -0.001 -0.000 -2.391) 2.391 6.582 ( 0.710 0.000 -1.867) 1.998 6.656 ( 3.452 0.000 -3.872) 5.188 6.902 ( -1.152 -0.000 -2.450) 2.708 6.935 ( 1.872 0.000 -0.336) 1.902 7.092 ( -11.025 -0.000 0.446) 11.034 7.189 ( -3.232 -0.000 4.659) 5.670 7.407 ( 7.592 0.000 -2.372) 7.954 7.595 ( 5.766 0.000 -2.204) 6.173 7.690 ( 4.231 0.000 -3.629) 5.574 7.713 ( 6.920 0.000 3.649) 7.823 7.843 ( 5.148 0.000 -0.089) 5.148 7.915 ( 3.091 0.000 -5.171) 6.025 8.258 ( 5.265 0.000 -5.434) 7.566 8.456 ( 0.142 0.000 -3.300) 3.303 8.499 ( 8.109 0.000 -3.357) 8.776 8.606 ( 11.174 0.000 -0.292) 11.177 8.661 ( -0.217 -0.000 2.282) 2.292 8.814 ( -2.106 -0.000 4.074) 4.586 8.979 ( 2.758 0.000 1.236) 3.022 9.434 ( -3.589 -0.000 2.124) 4.171 9.511 ( -9.674 -0.000 6.009) 11.389 9.986 ( -2.309 -0.000 1.238) 2.620 10.011 ( -6.918 -0.000 1.695) 7.123 10.061 ( 4.662 0.000 -1.267) 4.831 10.315 ( -3.358 -0.000 -1.500) 3.678 10.346 ( -2.344 -0.000 3.589) 4.287 10.407 ( 4.029 0.000 0.870) 4.122 10.624 ( 1.483 0.000 1.142) 1.872 10.631 ( -0.319 -0.000 -5.145) 5.155 10.924 ( -0.703 -0.000 -8.000) 8.030 11.372 ( -8.094 -0.000 2.725) 8.541 11.401 ( -5.514 -0.000 4.421) 7.067 11.406 ( -6.454 -0.000 6.277) 9.003 11.573 ( -3.599 -0.000 -1.206) 3.796 11.909 ( -0.377 -0.000 3.482) 3.502 11.960 ( -0.743 -0.000 7.854) 7.889 12.042 ( -8.214 -0.000 -2.809) 8.681 12.261 ( -0.320 -0.000 -0.368) 0.488 12.532 ( -4.456 -0.000 4.495) 6.329 12.573 ( -2.701 -0.000 -4.322) 5.096 12.850 ( 12.402 0.000 -1.291) 12.469 12.911 ( 2.835 0.000 0.233) 2.845 13.418 ( 0.081 0.000 -2.115) 2.116 13.499 ( 9.321 0.000 -14.606) 17.327 13.831 ( -3.286 -0.000 2.611) 4.197 14.122 ( 1.825 0.000 -0.796) 1.991 14.199 ( -6.679 -0.000 2.075) 6.994 14.382 ( 5.957 0.000 -4.547) 7.494 14.524 ( 13.508 0.000 -1.067) 13.550 15.125 ( 3.350 0.000 -0.859) 3.458 15.471 ( 5.855 0.000 -10.316) 11.862 15.728 ( 6.323 0.000 -9.556) 11.459 18.449 ( -10.609 -0.000 27.679) 29.642 18.628 ( -7.158 -0.000 -0.195) 7.161 19.069 ( -8.385 -0.000 -0.395) 8.394 19.509 ( 3.678 0.000 9.273) 9.975 19.868 ( -5.283 -0.000 -5.095) 7.339 20.441 ( 1.908 0.000 -5.697) 6.008 ======================= Grid point 91 (43/116) ======================= q-point: (-0.14 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -29.582 -1.085 -1.386) 29.634 1.441 ( -26.018 -15.146 -8.030) 31.158 2.228 ( -5.695 6.740 -2.611) 9.202 2.353 ( -17.352 -19.045 -0.088) 25.765 2.614 ( -5.800 11.172 -2.183) 12.776 2.837 ( 9.945 4.194 -8.752) 13.896 2.929 ( -5.746 1.893 -9.686) 11.420 3.104 ( 6.894 -3.484 1.056) 7.796 3.225 ( 1.537 -3.042 -5.904) 6.817 3.324 ( -0.787 -3.623 -0.209) 3.713 3.528 ( -3.490 -1.247 0.233) 3.714 3.695 ( 9.129 2.013 -0.838) 9.386 3.830 ( -0.125 0.599 6.290) 6.320 4.103 ( -3.203 8.869 -2.578) 9.776 4.201 ( -7.170 -3.626 0.396) 8.044 4.503 ( -9.714 -1.997 12.205) 15.726 4.637 ( 0.906 1.817 5.409) 5.777 4.730 ( 1.527 -3.906 3.648) 5.559 4.910 ( 0.315 -9.447 2.530) 9.785 4.951 ( -1.503 2.696 6.484) 7.181 5.158 ( 4.878 9.257 -4.346) 11.330 5.369 ( 4.176 2.663 -7.421) 8.922 5.462 ( -3.641 -2.804 3.562) 5.815 5.516 ( -6.757 0.409 -4.165) 7.948 5.580 ( 0.965 -1.775 -1.481) 2.505 5.742 ( 3.711 2.730 -3.934) 6.058 5.788 ( 3.681 3.844 -0.249) 5.328 5.924 ( -0.217 -3.785 7.389) 8.305 6.105 ( -1.247 4.517 -0.835) 4.760 6.212 ( 3.230 -0.530 3.404) 4.722 6.284 ( 0.984 -1.615 0.431) 1.939 6.437 ( -1.394 1.002 -0.602) 1.819 6.543 ( -0.592 -1.360 -2.269) 2.711 6.632 ( -2.636 2.882 -2.497) 4.636 6.887 ( 1.654 1.917 -1.133) 2.774 6.919 ( -2.588 -0.563 -3.605) 4.474 7.035 ( 1.834 -3.531 -1.927) 4.421 7.178 ( -5.180 -0.147 2.387) 5.705 7.496 ( 4.164 -4.466 -1.852) 6.381 7.583 ( 4.708 6.987 1.192) 8.509 7.675 ( 4.370 6.343 -4.832) 9.093 7.817 ( 6.627 -0.875 1.816) 6.927 7.925 ( 5.509 -0.216 2.751) 6.161 7.966 ( 6.371 -1.597 -5.333) 8.461 8.265 ( 4.969 1.240 -4.813) 7.028 8.334 ( -0.558 4.562 -6.909) 8.298 8.564 ( 2.926 1.815 0.880) 3.554 8.648 ( -1.481 -0.977 3.071) 3.547 8.792 ( 5.709 -1.768 -3.276) 6.815 8.827 ( 2.556 -3.884 2.488) 5.273 9.072 ( 7.437 0.331 2.140) 7.746 9.377 ( -6.122 4.710 4.206) 8.795 9.524 ( -4.424 -6.960 9.320) 12.445 9.926 ( -4.306 1.688 5.668) 7.316 9.994 ( -4.748 -0.409 2.010) 5.172 10.051 ( 2.601 4.125 -2.249) 5.370 10.248 ( -4.870 -2.058 -1.303) 5.445 10.375 ( -2.683 -1.382 2.497) 3.918 10.453 ( 4.168 1.366 -1.736) 4.717 10.618 ( 3.331 -3.547 -3.009) 5.721 10.699 ( 1.153 -3.977 1.301) 4.341 10.868 ( -1.510 -2.193 -4.969) 5.638 11.230 ( -8.062 3.607 2.429) 9.160 11.359 ( -4.640 2.990 3.671) 6.630 11.412 ( -6.505 -2.443 3.500) 7.780 11.536 ( -4.418 -0.787 2.164) 4.982 11.849 ( -6.238 1.708 -1.861) 6.730 12.021 ( 2.628 -4.546 2.728) 5.917 12.044 ( -3.647 -4.500 3.848) 6.953 12.224 ( 0.145 2.010 -3.922) 4.409 12.442 ( -1.207 4.532 3.104) 5.624 12.613 ( -4.277 -6.030 1.140) 7.480 12.899 ( 3.813 3.781 -0.663) 5.410 13.027 ( 9.154 -2.667 -0.610) 9.555 13.320 ( 2.191 6.712 -11.262) 13.292 13.490 ( 3.096 -3.791 -12.658) 13.571 13.832 ( -4.745 -2.195 4.550) 6.931 14.090 ( -3.147 4.905 1.365) 5.985 14.109 ( -0.752 3.054 -1.769) 3.609 14.416 ( 5.482 0.481 -3.155) 6.343 14.734 ( 12.091 -7.286 -2.181) 14.284 15.046 ( -0.075 10.850 -3.139) 11.295 15.516 ( 6.008 -5.608 -7.850) 11.366 15.700 ( 5.112 0.139 -10.782) 11.933 18.385 ( -9.883 9.182 11.083) 17.459 18.773 ( -3.267 -9.086 11.346) 14.899 18.985 ( -4.854 0.108 9.386) 10.568 19.562 ( 1.299 5.516 10.676) 12.087 19.876 ( -3.604 -10.804 -2.758) 11.718 20.427 ( 4.013 -0.775 -4.212) 5.869 ======================= Grid point 98 (44/116) ======================= q-point: (-0.14 -0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -31.870 -0.000 3.960) 32.115 0.870 ( -34.222 -0.000 3.677) 34.419 1.567 ( -59.844 -0.000 16.803) 62.158 2.528 ( 20.882 0.000 -5.634) 21.628 2.576 ( -7.229 -0.000 -4.213) 8.367 2.829 ( -0.994 -0.000 -9.233) 9.287 2.987 ( 5.049 0.000 -3.347) 6.058 3.056 ( 12.282 0.000 -13.418) 18.191 3.229 ( 4.752 0.000 -1.022) 4.861 3.342 ( -4.997 -0.000 16.075) 16.834 3.514 ( 5.580 0.000 -2.708) 6.203 3.845 ( 0.651 0.000 2.838) 2.911 3.846 ( 4.676 0.000 -9.460) 10.552 3.924 ( -5.120 -0.000 3.182) 6.028 4.357 ( -1.653 -0.000 10.165) 10.299 4.402 ( -16.270 -0.000 11.682) 20.030 4.556 ( -3.658 -0.000 -1.292) 3.880 4.777 ( -9.404 -0.000 0.810) 9.439 4.854 ( 5.579 0.000 1.900) 5.893 5.060 ( 5.359 0.000 4.749) 7.160 5.247 ( -6.951 -0.000 -5.123) 8.635 5.264 ( 2.953 0.000 -4.626) 5.488 5.423 ( 3.338 0.000 -5.187) 6.168 5.458 ( -1.179 -0.000 -0.513) 1.286 5.528 ( -4.025 -0.000 -2.429) 4.701 5.769 ( -0.599 -0.000 -0.328) 0.683 5.878 ( 5.779 0.000 -1.520) 5.975 5.935 ( 1.554 0.000 -0.632) 1.677 6.144 ( 0.735 0.000 -0.229) 0.770 6.278 ( 2.326 0.000 4.088) 4.704 6.307 ( 3.755 0.000 -2.279) 4.392 6.440 ( -8.226 -0.000 -1.665) 8.393 6.448 ( 1.581 0.000 0.393) 1.629 6.667 ( 1.561 0.000 -2.072) 2.595 6.797 ( 2.013 0.000 -12.479) 12.640 6.964 ( -2.623 -0.000 5.137) 5.768 7.005 ( 1.142 0.000 1.648) 2.005 7.176 ( -1.514 -0.000 1.333) 2.017 7.452 ( 1.762 0.000 -1.780) 2.505 7.722 ( 2.665 0.000 2.464) 3.629 7.741 ( 3.967 0.000 -1.860) 4.381 7.903 ( 9.160 0.000 -5.714) 10.796 7.983 ( 7.318 0.000 -2.907) 7.874 8.008 ( 2.054 0.000 3.860) 4.372 8.305 ( 2.733 0.000 -5.354) 6.012 8.309 ( 6.171 0.000 -7.954) 10.067 8.540 ( -12.066 -0.000 6.916) 13.907 8.692 ( 4.766 0.000 1.970) 5.157 8.799 ( 10.779 0.000 -6.959) 12.830 8.838 ( -2.423 -0.000 1.354) 2.776 9.248 ( 10.647 0.000 4.611) 11.603 9.375 ( -7.545 -0.000 4.110) 8.592 9.525 ( 0.526 0.000 12.036) 12.048 9.881 ( -8.383 -0.000 9.937) 13.001 10.007 ( 2.079 0.000 -1.495) 2.561 10.096 ( 0.673 0.000 0.981) 1.189 10.165 ( -6.722 -0.000 1.777) 6.953 10.373 ( 0.926 0.000 0.989) 1.355 10.524 ( 3.079 0.000 1.666) 3.501 10.575 ( 4.817 0.000 -4.023) 6.277 10.690 ( -0.910 -0.000 1.426) 1.691 10.794 ( -1.536 -0.000 -3.784) 4.084 11.158 ( -11.792 -0.000 3.661) 12.347 11.336 ( -7.100 -0.000 2.964) 7.694 11.367 ( -0.930 -0.000 1.277) 1.580 11.511 ( -4.339 -0.000 4.794) 6.465 11.777 ( -3.152 -0.000 -2.053) 3.762 11.996 ( -3.212 -0.000 -0.270) 3.223 12.011 ( 0.411 0.000 1.749) 1.797 12.228 ( 1.973 0.000 -2.199) 2.954 12.491 ( -4.202 -0.000 2.521) 4.900 12.522 ( -1.023 -0.000 1.526) 1.837 12.925 ( 0.136 0.000 -5.074) 5.076 13.131 ( 9.865 0.000 -0.136) 9.866 13.229 ( -1.903 -0.000 -30.325) 30.384 13.384 ( 1.461 0.000 -3.292) 3.602 13.802 ( -5.322 -0.000 5.870) 7.923 14.082 ( -5.084 -0.000 1.421) 5.278 14.130 ( 2.051 0.000 -3.064) 3.687 14.448 ( 4.826 0.000 -3.192) 5.786 14.807 ( 10.162 0.000 -0.600) 10.179 15.171 ( 1.613 0.000 -1.111) 1.959 15.402 ( 5.193 0.000 -15.876) 16.703 15.624 ( -1.058 -0.000 -9.730) 9.787 18.447 ( -5.795 -0.000 -0.570) 5.823 18.783 ( -2.250 -0.000 8.939) 9.217 19.146 ( 5.253 0.000 35.691) 36.075 19.704 ( -1.356 -0.000 -3.764) 4.001 19.719 ( -2.566 -0.000 15.725) 15.933 20.414 ( 2.488 0.000 -3.200) 4.053 ======================= Grid point 99 (45/116) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 2.212 0.000 29.925) 30.007 1.567 ( 0.969 0.000 35.316) 35.329 2.158 ( -13.193 -0.000 39.927) 42.050 2.511 ( 0.510 0.000 -4.364) 4.394 2.532 ( 8.242 0.000 -2.250) 8.543 2.910 ( 16.458 0.000 -0.809) 16.478 3.007 ( -4.494 -0.000 6.207) 7.663 3.139 ( 12.507 0.000 -4.619) 13.333 3.358 ( -5.521 -0.000 8.396) 10.048 3.458 ( 3.181 0.000 4.491) 5.503 3.521 ( -2.368 -0.000 -7.492) 7.857 3.838 ( 0.138 0.000 -0.565) 0.582 3.894 ( 1.362 0.000 2.590) 2.927 3.985 ( 0.982 0.000 -1.346) 1.666 4.217 ( -25.895 -0.000 7.374) 26.924 4.442 ( -0.659 -0.000 -2.524) 2.609 4.652 ( -0.947 -0.000 6.512) 6.580 4.687 ( -4.174 -0.000 6.240) 7.507 4.741 ( -6.449 -0.000 -7.738) 10.073 4.958 ( -7.079 -0.000 -8.699) 11.216 5.157 ( 9.953 0.000 -7.491) 12.457 5.222 ( -1.293 -0.000 -6.257) 6.389 5.337 ( -1.084 -0.000 7.636) 7.713 5.339 ( 11.219 0.000 -7.289) 13.379 5.564 ( 12.758 0.000 -2.687) 13.038 5.629 ( 1.202 0.000 -10.161) 10.232 5.783 ( 7.275 0.000 -6.227) 9.576 6.065 ( -3.702 -0.000 6.192) 7.214 6.122 ( -12.641 -0.000 0.519) 12.651 6.327 ( -4.809 -0.000 -6.451) 8.047 6.340 ( 4.234 0.000 1.647) 4.543 6.461 ( -1.717 -0.000 6.472) 6.695 6.531 ( 2.961 0.000 0.374) 2.984 6.568 ( 11.724 0.000 -0.932) 11.761 6.649 ( 3.988 0.000 -3.054) 5.023 7.024 ( -1.199 -0.000 -2.719) 2.971 7.174 ( -8.983 -0.000 6.964) 11.367 7.245 ( -4.947 -0.000 6.841) 8.443 7.511 ( 4.017 0.000 -2.735) 4.860 7.712 ( 2.263 0.000 -7.911) 8.229 7.763 ( 5.188 0.000 -2.031) 5.572 7.807 ( -0.013 -0.000 1.137) 1.137 8.086 ( -5.671 -0.000 -2.953) 6.394 8.193 ( 4.190 0.000 3.733) 5.611 8.246 ( 6.696 0.000 -0.916) 6.759 8.339 ( 10.937 0.000 -0.721) 10.961 8.440 ( -11.678 -0.000 1.702) 11.802 8.624 ( -1.054 -0.000 -7.458) 7.533 8.817 ( 7.383 0.000 -3.888) 8.344 8.846 ( -0.010 -0.000 2.229) 2.229 9.256 ( -14.763 -0.000 0.700) 14.779 9.257 ( -5.945 -0.000 0.790) 5.997 9.494 ( -9.827 -0.000 0.235) 9.830 9.679 ( 7.385 0.000 -0.360) 7.394 9.752 ( 0.897 0.000 -8.592) 8.638 10.213 ( -0.810 -0.000 -3.277) 3.375 10.255 ( -4.078 -0.000 8.928) 9.815 10.363 ( 8.526 0.000 -1.214) 8.612 10.571 ( -0.616 -0.000 0.608) 0.865 10.619 ( -2.050 -0.000 -0.122) 2.053 10.738 ( -3.878 -0.000 3.903) 5.502 10.876 ( 12.479 0.000 2.473) 12.722 11.111 ( -9.377 -0.000 8.925) 12.945 11.366 ( -0.882 -0.000 1.301) 1.572 11.421 ( -1.571 -0.000 3.211) 3.574 11.516 ( -5.030 -0.000 1.982) 5.407 11.713 ( 3.320 0.000 -0.989) 3.464 11.799 ( -1.520 -0.000 -6.209) 6.393 12.007 ( -3.967 -0.000 2.647) 4.770 12.316 ( 5.581 0.000 1.298) 5.730 12.391 ( -3.372 -0.000 -1.879) 3.860 12.470 ( -2.427 -0.000 0.592) 2.498 12.865 ( 2.156 0.000 -1.536) 2.647 13.242 ( 2.494 0.000 -3.750) 4.503 13.390 ( -1.394 -0.000 4.231) 4.455 13.893 ( -7.493 -0.000 5.349) 9.206 14.068 ( 1.404 0.000 -3.551) 3.819 14.091 ( -2.304 -0.000 4.065) 4.672 14.162 ( 44.780 0.000 -2.792) 44.867 14.481 ( 5.878 0.000 -2.680) 6.460 14.937 ( 0.857 0.000 -0.221) 0.885 14.961 ( -9.080 -0.000 -0.170) 9.081 15.183 ( 2.234 0.000 -0.149) 2.239 15.376 ( -0.175 -0.000 -6.202) 6.205 18.400 ( 1.216 0.000 1.584) 1.996 18.662 ( -24.694 -0.000 -2.091) 24.782 18.926 ( -0.073 -0.000 4.521) 4.521 19.582 ( 5.598 0.000 -5.291) 7.703 19.963 ( -17.097 -0.000 10.606) 20.119 20.443 ( 5.264 0.000 -0.947) 5.348 ======================= Grid point 100 (46/116) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 12.371 1.982 26.980) 29.747 1.823 ( -0.095 5.371 28.434) 28.937 2.210 ( 0.853 6.131 -5.975) 8.604 2.574 ( 10.370 9.668 -6.609) 15.643 2.710 ( -0.320 -11.958 27.224) 29.736 2.872 ( 1.355 3.680 -2.865) 4.857 3.106 ( 6.352 5.199 7.101) 10.854 3.222 ( 2.600 -10.598 -0.448) 10.922 3.327 ( -3.033 6.679 8.206) 11.007 3.510 ( 3.640 3.639 1.575) 5.383 3.642 ( -0.625 -6.391 1.301) 6.552 3.722 ( 0.074 -4.149 -6.074) 7.356 3.903 ( -13.678 2.459 -0.970) 13.931 4.025 ( 0.112 -3.153 2.256) 3.878 4.141 ( -7.108 -12.996 6.536) 16.190 4.406 ( -5.945 -3.094 -2.726) 7.235 4.546 ( 0.670 1.908 -5.944) 6.278 4.614 ( -8.675 2.900 5.266) 10.554 4.760 ( -1.031 -0.543 -0.756) 1.389 4.830 ( -0.614 -1.546 -2.097) 2.676 5.080 ( -3.064 8.380 -5.015) 10.235 5.206 ( 6.169 3.512 -1.857) 7.337 5.303 ( 15.662 5.027 -6.085) 17.538 5.543 ( 5.909 -6.484 -4.920) 10.059 5.606 ( 1.143 -6.681 -5.715) 8.866 5.740 ( 4.665 -4.838 0.758) 6.763 5.818 ( 2.701 -0.962 -5.452) 6.160 5.949 ( -13.116 -0.998 -0.992) 13.191 6.086 ( -0.646 1.122 3.143) 3.399 6.238 ( 2.251 -0.974 -3.001) 3.876 6.364 ( -2.098 4.151 4.628) 6.561 6.430 ( -3.180 2.036 2.954) 4.794 6.621 ( 1.112 -1.261 -2.518) 3.028 6.668 ( 2.924 -5.044 -0.585) 5.860 6.710 ( 8.481 -3.223 -3.127) 9.597 6.938 ( -2.186 4.974 0.133) 5.434 7.102 ( -7.113 2.035 5.555) 9.252 7.231 ( -6.006 -0.327 4.881) 7.746 7.489 ( 2.980 2.937 -1.137) 4.336 7.636 ( 1.551 4.356 -4.869) 6.714 7.770 ( 1.837 4.554 -0.546) 4.941 7.808 ( 1.181 2.512 -1.937) 3.385 7.927 ( -5.804 7.212 -1.254) 9.342 8.174 ( -0.002 5.607 0.410) 5.622 8.312 ( -7.220 -1.559 -1.310) 7.502 8.324 ( 3.823 3.640 -3.180) 6.163 8.394 ( 1.172 1.561 -0.276) 1.971 8.599 ( 1.619 -2.392 -2.604) 3.889 8.844 ( -1.912 2.377 -4.098) 5.109 8.864 ( 2.108 -5.124 -0.129) 5.542 9.156 ( -9.739 -4.790 2.259) 11.085 9.227 ( 1.594 1.860 1.399) 2.821 9.472 ( -4.108 -6.792 4.435) 9.093 9.642 ( 3.900 4.643 -3.800) 7.156 9.885 ( 10.800 -5.810 -4.864) 13.193 10.183 ( 1.060 -1.599 -2.694) 3.307 10.239 ( -1.135 4.622 4.369) 6.461 10.449 ( -2.689 2.861 6.680) 7.748 10.558 ( 2.305 -3.968 -2.630) 5.289 10.627 ( 0.467 0.216 1.000) 1.125 10.748 ( -3.503 -3.663 2.630) 5.711 11.031 ( 7.358 -1.348 0.774) 7.520 11.121 ( -5.185 -1.758 7.891) 9.604 11.353 ( -2.117 2.170 0.529) 3.077 11.408 ( -3.129 -1.606 2.171) 4.133 11.503 ( 1.276 -0.178 2.670) 2.965 11.703 ( 0.090 0.714 -4.431) 4.490 11.827 ( 4.418 -4.901 -0.345) 6.607 12.022 ( -6.754 -6.218 1.066) 9.243 12.301 ( 1.067 5.173 -1.272) 5.433 12.390 ( -0.756 -0.409 2.140) 2.306 12.488 ( 3.179 -3.967 -1.402) 5.274 12.890 ( 2.351 0.110 0.941) 2.535 13.224 ( -0.700 -0.504 -4.251) 4.338 13.404 ( -2.764 -1.041 3.941) 4.925 13.827 ( -4.844 3.220 1.979) 6.144 14.038 ( -1.592 -0.037 -2.823) 3.241 14.087 ( -1.178 1.525 3.538) 4.029 14.325 ( 9.869 21.596 0.739) 23.756 14.530 ( 5.182 0.645 -1.792) 5.521 14.830 ( 8.602 4.198 -4.326) 10.504 14.969 ( -1.229 -0.939 -1.400) 2.086 15.289 ( 1.427 -8.606 -4.451) 9.793 15.325 ( 2.143 -0.985 -7.307) 7.678 18.392 ( -3.615 0.091 6.700) 7.614 18.574 ( -7.589 -10.351 -1.002) 12.874 18.951 ( -0.433 1.422 6.138) 6.316 19.645 ( 5.279 -2.858 -4.522) 7.515 19.860 ( -13.097 -1.030 8.815) 15.820 20.491 ( 5.034 1.676 -0.615) 5.342 ======================= Grid point 101 (47/116) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -2.078 10.102 -5.263) 11.579 1.963 ( 8.249 11.070 23.747) 27.468 2.360 ( 9.199 6.779 -2.713) 11.745 2.406 ( 7.396 0.741 10.460) 12.832 2.793 ( 6.320 5.302 -0.416) 8.260 2.962 ( -3.527 -3.153 -2.741) 5.468 3.139 ( -10.011 0.906 7.265) 12.403 3.290 ( 2.493 11.123 -7.917) 13.878 3.327 ( -6.030 1.153 -5.924) 8.532 3.494 ( 6.618 -6.172 7.517) 11.764 3.600 ( -4.553 5.473 7.974) 10.690 3.763 ( -5.795 -2.736 0.905) 6.472 3.915 ( 3.282 -16.127 -1.014) 16.489 4.058 ( -7.943 -0.747 4.929) 9.378 4.286 ( 4.193 -7.944 0.083) 8.984 4.380 ( -6.621 -3.439 4.949) 8.953 4.496 ( -7.109 4.088 5.476) 9.860 4.632 ( 7.555 -4.406 0.986) 8.801 4.777 ( -2.308 -11.570 -5.611) 13.064 4.838 ( -0.769 3.148 -6.545) 7.304 4.939 ( 3.373 2.894 5.507) 7.076 5.217 ( 4.753 4.865 1.972) 7.082 5.324 ( 6.650 6.500 -9.376) 13.205 5.513 ( 1.087 5.708 0.486) 5.831 5.713 ( -4.681 -5.893 -5.384) 9.253 5.784 ( -3.374 -6.554 2.824) 7.894 5.824 ( 2.900 -2.528 -5.449) 6.671 5.905 ( -3.041 -7.419 3.815) 8.880 6.048 ( 0.731 2.089 -5.897) 6.299 6.229 ( -6.183 11.358 4.212) 13.600 6.335 ( 3.254 -4.632 0.838) 5.722 6.453 ( 4.072 -1.729 0.946) 4.524 6.609 ( 0.309 -1.987 -4.209) 4.665 6.741 ( -5.119 -3.164 3.220) 6.825 6.791 ( 1.272 -2.238 -3.642) 4.460 6.891 ( 2.634 1.768 2.482) 4.028 7.033 ( -0.928 5.436 0.702) 5.559 7.225 ( -4.326 -3.352 2.485) 6.010 7.508 ( 4.692 1.725 -5.824) 7.675 7.571 ( 2.348 5.555 0.657) 6.066 7.647 ( 1.095 6.763 0.842) 6.902 7.742 ( 1.076 3.101 -3.952) 5.137 7.789 ( -2.952 6.151 0.596) 6.849 8.081 ( -4.374 2.592 0.460) 5.105 8.202 ( -0.800 3.658 -2.885) 4.727 8.301 ( 2.885 0.253 -5.044) 5.816 8.352 ( -2.203 2.696 -1.810) 3.924 8.620 ( -1.021 -2.304 0.589) 2.588 8.661 ( -7.639 5.065 -5.244) 10.560 9.042 ( -0.554 -12.619 0.496) 12.641 9.186 ( -0.147 -3.062 3.914) 4.972 9.273 ( 5.533 -0.110 2.246) 5.973 9.461 ( 2.550 7.937 -3.679) 9.112 9.707 ( 0.609 -6.593 5.956) 8.906 9.989 ( 8.128 1.710 -4.528) 9.459 10.198 ( -1.046 2.665 2.056) 3.524 10.281 ( 6.161 -5.486 1.294) 8.350 10.401 ( -4.267 2.051 3.929) 6.152 10.590 ( -2.537 -0.177 -0.631) 2.621 10.618 ( -1.645 1.274 1.234) 2.419 10.791 ( -1.065 -3.112 -0.526) 3.331 11.114 ( 3.827 -0.006 -1.282) 4.036 11.135 ( -4.708 -1.814 5.725) 7.631 11.302 ( -2.094 1.119 1.599) 2.863 11.452 ( -2.118 -4.404 2.879) 5.672 11.576 ( 2.239 -1.207 4.493) 5.163 11.699 ( 2.467 -4.129 -4.128) 6.338 11.947 ( 1.570 -3.888 0.609) 4.237 11.990 ( -3.619 -2.412 -4.837) 6.505 12.287 ( 4.192 3.404 2.614) 6.000 12.384 ( -3.699 -3.896 1.072) 5.478 12.594 ( 5.482 -1.280 0.470) 5.649 12.929 ( 1.441 0.112 2.656) 3.024 13.148 ( -6.513 0.361 -3.630) 7.465 13.443 ( 0.498 -1.884 3.105) 3.666 13.713 ( -3.002 5.596 -2.742) 6.917 13.990 ( -1.803 0.305 -1.904) 2.640 14.054 ( -6.464 15.123 5.735) 17.418 14.092 ( -0.614 1.655 2.667) 3.198 14.512 ( -1.642 4.217 0.010) 4.525 14.862 ( 11.952 5.120 -5.951) 14.300 14.927 ( 0.921 2.358 -4.051) 4.777 15.284 ( 5.295 -0.686 -8.634) 10.151 15.407 ( 3.690 -7.519 -7.604) 11.312 18.413 ( -6.102 -1.425 5.834) 8.561 18.683 ( 3.609 -7.976 1.085) 8.822 18.993 ( -4.522 -2.658 6.458) 8.320 19.632 ( -4.215 4.427 6.449) 8.886 19.895 ( 0.771 -8.451 -2.461) 8.836 20.497 ( 4.503 4.925 -0.548) 6.696 ======================= Grid point 102 (48/116) ======================= q-point: (-0.57 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 5.759 3.264 -11.151) 12.968 1.979 ( 2.686 14.262 10.290) 17.791 2.267 ( 3.637 5.365 -1.700) 6.701 2.580 ( -4.117 15.325 -6.633) 17.199 2.687 ( -9.158 1.243 8.905) 12.835 2.881 ( -5.546 4.673 4.900) 8.753 3.069 ( 5.448 2.976 -7.577) 9.796 3.127 ( 10.758 1.458 -10.531) 15.125 3.207 ( -11.189 -9.780 -0.530) 14.870 3.507 ( -1.840 7.116 6.042) 9.515 3.666 ( 0.139 -3.349 2.312) 4.072 3.797 ( -6.209 -1.784 7.754) 10.093 3.968 ( -1.268 2.855 -1.790) 3.600 4.088 ( -5.122 0.241 1.142) 5.253 4.348 ( 1.350 5.323 2.824) 6.175 4.421 ( -6.824 -4.287 2.217) 8.359 4.550 ( 3.161 -5.831 7.017) 9.656 4.740 ( 0.428 -0.611 1.109) 1.337 4.791 ( 3.726 -5.495 1.098) 6.729 4.887 ( -3.759 -0.810 2.178) 4.419 5.028 ( 4.877 -0.072 1.249) 5.035 5.112 ( 0.539 -7.395 -4.410) 8.627 5.373 ( 9.735 -1.866 1.765) 10.068 5.506 ( 4.833 2.809 -0.659) 5.629 5.646 ( -8.117 -3.002 -2.413) 8.985 5.745 ( -9.982 3.431 2.978) 10.967 5.903 ( 1.158 -5.309 1.110) 5.546 5.968 ( -0.729 2.287 -3.180) 3.984 6.020 ( -5.458 4.182 -2.516) 7.322 6.105 ( 5.489 -8.561 -0.490) 10.181 6.387 ( -0.802 0.212 -0.004) 0.830 6.556 ( 3.034 -3.424 -0.309) 4.585 6.641 ( 3.052 -1.061 2.184) 3.900 6.706 ( -3.207 4.265 1.448) 5.529 6.778 ( -0.172 -1.853 -3.437) 3.908 6.877 ( -1.553 6.025 -0.303) 6.229 6.965 ( 4.712 3.673 -1.788) 6.236 7.269 ( -1.287 -6.032 0.218) 6.171 7.365 ( -1.293 6.609 -7.977) 10.440 7.549 ( 0.565 3.556 0.050) 3.601 7.595 ( -2.102 7.007 1.819) 7.538 7.730 ( 4.027 -2.181 -1.764) 4.908 7.741 ( 2.883 -2.315 -1.885) 4.150 8.042 ( 0.646 2.826 3.138) 4.272 8.143 ( 1.007 0.488 -3.672) 3.839 8.250 ( 2.446 2.510 -7.853) 8.599 8.344 ( 1.494 -3.912 1.558) 4.468 8.494 ( -2.949 1.118 -5.022) 5.930 8.659 ( -4.182 -5.043 2.172) 6.902 9.097 ( -6.885 -5.419 -3.463) 9.421 9.257 ( 7.285 10.379 1.608) 12.782 9.348 ( 2.400 4.939 4.212) 6.920 9.457 ( 5.184 -12.265 0.896) 13.346 9.853 ( 2.267 -2.865 5.158) 6.321 9.997 ( 3.703 4.095 2.122) 5.915 10.169 ( -2.897 1.171 2.364) 3.918 10.343 ( -3.539 0.752 -1.533) 3.929 10.457 ( 5.499 -3.861 0.603) 6.746 10.500 ( -2.190 3.479 -1.003) 4.232 10.585 ( -4.223 2.264 2.442) 5.378 10.794 ( 1.613 -0.393 -3.080) 3.499 11.068 ( -3.975 1.741 -0.871) 4.426 11.207 ( -1.191 -2.433 4.526) 5.274 11.291 ( -1.038 -0.165 2.823) 3.012 11.512 ( -4.357 -4.383 4.171) 7.456 11.636 ( -0.074 0.303 2.114) 2.137 11.756 ( -0.138 -3.987 -4.207) 5.797 11.944 ( -0.239 -3.854 -1.073) 4.008 12.045 ( 3.331 -3.297 -1.492) 4.919 12.268 ( 0.868 4.104 0.269) 4.203 12.499 ( 3.442 -6.974 4.063) 8.774 12.634 ( 2.080 3.280 1.404) 4.130 12.952 ( -1.447 2.390 3.160) 4.218 12.998 ( -7.799 1.043 -4.451) 9.040 13.457 ( -3.325 7.192 5.146) 9.448 13.574 ( 1.286 2.545 -7.630) 8.145 13.879 ( -4.728 3.130 4.638) 7.325 13.971 ( 1.520 -0.290 -1.571) 2.205 14.114 ( -0.885 -2.275 1.350) 2.789 14.388 ( -6.139 5.381 1.637) 8.326 14.828 ( -1.229 2.309 -2.971) 3.959 14.888 ( 11.506 6.219 -8.044) 15.355 15.317 ( 9.371 -2.436 -9.927) 13.867 15.473 ( 3.474 -4.763 -7.367) 9.436 18.397 ( -3.830 0.550 4.178) 5.695 18.852 ( -0.293 -6.553 2.482) 7.013 19.004 ( -5.590 -2.114 4.615) 7.551 19.635 ( -3.155 0.517 14.776) 15.118 20.002 ( 4.323 -6.559 -7.349) 10.757 20.453 ( 4.396 7.283 -0.884) 8.553 ======================= Grid point 103 (49/116) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 12.271 -4.202 -8.469) 15.490 1.840 ( -6.818 17.242 10.832) 21.473 2.052 ( -17.069 21.787 -3.339) 27.878 2.228 ( 1.444 -5.928 -9.518) 11.306 2.587 ( -4.299 3.821 -1.462) 5.935 2.810 ( -5.280 0.551 3.200) 6.198 3.090 ( 3.073 -3.852 -6.753) 8.359 3.179 ( 9.868 -1.314 -8.040) 12.796 3.250 ( -6.255 -0.719 8.550) 10.618 3.519 ( -18.408 16.799 7.087) 25.910 3.544 ( 6.708 8.051 6.477) 12.319 3.778 ( -8.508 -0.230 8.526) 12.047 3.887 ( 1.599 -2.543 1.086) 3.194 4.034 ( 2.754 1.483 5.018) 5.913 4.193 ( -12.064 2.268 -0.050) 12.276 4.492 ( 5.272 -1.367 2.521) 6.001 4.693 ( -4.153 0.111 -4.312) 5.988 4.767 ( 6.660 -6.143 2.624) 9.433 4.902 ( -0.751 -6.360 2.657) 6.933 4.952 ( 0.206 -3.766 -1.820) 4.188 5.093 ( 5.921 0.544 1.793) 6.210 5.317 ( 0.513 -9.289 0.568) 9.321 5.429 ( -2.768 4.810 3.622) 6.627 5.488 ( 1.695 -1.433 -3.935) 4.518 5.624 ( -0.594 -3.961 0.731) 4.072 5.671 ( 0.015 1.940 3.022) 3.591 5.843 ( -0.422 7.698 -7.565) 10.801 5.896 ( -4.030 -3.721 -0.286) 5.493 6.047 ( -1.451 -6.005 3.464) 7.083 6.229 ( 6.663 -2.556 -6.239) 9.479 6.316 ( -5.048 6.487 2.941) 8.730 6.551 ( -0.277 4.502 1.001) 4.620 6.655 ( 1.558 1.867 -1.261) 2.739 6.690 ( 0.667 6.180 3.652) 7.209 6.754 ( 1.690 0.765 -2.138) 2.831 6.828 ( -0.902 -2.773 0.247) 2.926 6.971 ( 2.695 -1.391 -2.174) 3.732 7.153 ( -5.512 4.392 -7.803) 10.515 7.347 ( 0.579 -5.535 -2.008) 5.917 7.521 ( 4.027 -0.543 -5.375) 6.738 7.564 ( -2.434 -1.446 6.559) 7.144 7.787 ( 0.019 -5.538 -0.428) 5.555 7.854 ( 9.606 -2.159 -3.310) 10.388 8.012 ( 0.188 4.477 3.353) 5.596 8.147 ( 1.463 -1.401 -3.081) 3.687 8.210 ( 6.831 2.626 -5.390) 9.089 8.453 ( 3.056 -3.932 -3.656) 6.178 8.503 ( 3.717 -7.848 -1.383) 8.794 8.696 ( -5.632 -6.066 1.554) 8.422 9.016 ( 0.736 3.911 -7.132) 8.167 9.179 ( 1.652 6.662 3.125) 7.542 9.375 ( -1.818 1.280 7.211) 7.546 9.716 ( 4.924 -11.208 -0.474) 12.251 9.910 ( 2.897 4.188 5.995) 7.866 10.038 ( 3.533 1.438 4.253) 5.713 10.117 ( -8.317 0.009 2.802) 8.776 10.249 ( -5.002 1.919 -2.352) 5.851 10.411 ( 1.373 3.435 -0.736) 3.772 10.483 ( -6.142 2.120 -1.529) 6.675 10.594 ( 5.680 -1.748 0.604) 5.973 10.791 ( 3.592 2.596 -3.433) 5.606 10.973 ( -4.462 2.847 -0.304) 5.301 11.221 ( -2.396 0.321 3.423) 4.191 11.354 ( -1.147 -2.544 6.658) 7.219 11.525 ( -8.078 -2.093 4.185) 9.336 11.591 ( -3.366 1.333 -1.549) 3.938 11.770 ( -1.519 -1.712 0.897) 2.458 11.992 ( 0.042 -2.909 -4.168) 5.083 12.115 ( 2.130 -3.019 -0.624) 3.747 12.229 ( 3.440 4.630 0.295) 5.776 12.585 ( -1.853 5.057 5.282) 7.544 12.693 ( 2.648 -5.272 1.919) 6.204 12.812 ( -4.569 1.958 -2.539) 5.582 12.937 ( -1.540 2.264 -1.990) 3.385 13.312 ( -2.223 6.291 -1.555) 6.851 13.499 ( 1.641 6.128 -0.071) 6.344 13.895 ( -5.559 -6.171 3.402) 8.975 14.011 ( 3.635 -0.274 1.126) 3.816 14.112 ( -2.692 2.221 0.731) 3.566 14.324 ( -0.057 -2.473 0.306) 2.492 14.763 ( -1.669 -1.162 -3.675) 4.200 14.862 ( 9.006 5.701 -6.430) 12.448 15.383 ( 10.433 -1.626 -10.569) 14.940 15.501 ( 3.067 -2.403 -6.858) 7.887 18.385 ( -2.269 0.773 3.127) 3.940 18.831 ( -13.070 -2.709 3.966) 13.924 19.095 ( 5.359 -2.979 3.194) 6.914 19.774 ( -3.730 -4.550 15.007) 16.119 20.030 ( 2.720 1.137 -5.551) 6.285 20.404 ( 6.208 4.788 -3.253) 8.488 ======================= Grid point 104 (50/116) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -18.585 21.190 8.630) 29.477 1.523 ( -13.388 20.620 19.733) 31.525 1.921 ( 9.332 -18.468 -7.288) 21.938 2.363 ( 11.834 -10.352 -17.192) 23.298 2.502 ( -6.512 -2.300 7.141) 9.934 2.762 ( -20.251 13.072 18.379) 30.311 2.871 ( -8.151 17.389 8.394) 20.959 3.128 ( 2.472 -4.233 -4.353) 6.556 3.284 ( 11.718 6.167 -1.901) 13.378 3.342 ( -7.218 -2.717 2.832) 8.216 3.532 ( 6.359 0.086 1.217) 6.475 3.881 ( 2.139 0.288 1.226) 2.483 3.999 ( 4.628 -0.212 1.871) 4.997 4.058 ( -6.877 -1.898 5.873) 9.241 4.125 ( -1.001 -1.301 10.215) 10.346 4.536 ( -1.396 2.597 0.409) 2.976 4.639 ( -0.700 -6.283 -7.684) 9.951 4.848 ( -6.133 0.786 2.019) 6.505 4.912 ( -10.625 1.368 6.551) 12.557 4.966 ( 3.323 -4.245 -4.495) 7.019 5.148 ( -0.799 -0.873 1.981) 2.307 5.294 ( 0.305 2.753 -5.579) 6.229 5.418 ( 1.717 -0.307 -3.785) 4.167 5.523 ( -2.672 2.253 0.038) 3.495 5.556 ( 3.069 8.638 -6.357) 11.155 5.709 ( -1.332 -3.230 3.456) 4.914 5.747 ( 7.526 1.329 -2.446) 8.024 6.015 ( 6.958 -6.008 1.751) 9.359 6.120 ( -1.913 -1.867 4.221) 4.996 6.181 ( -7.189 1.764 2.543) 7.827 6.289 ( 7.981 -2.609 -5.588) 10.086 6.481 ( -2.356 4.187 -1.230) 4.959 6.573 ( -5.639 6.340 5.053) 9.876 6.602 ( -0.588 5.168 0.662) 5.244 6.780 ( -0.590 2.584 -3.469) 4.366 6.817 ( 4.289 -0.479 -3.876) 5.801 6.996 ( -2.420 -5.416 3.621) 6.950 7.133 ( 0.738 -8.420 -2.559) 8.831 7.420 ( 0.852 -4.858 -1.648) 5.201 7.559 ( 5.178 -1.787 -1.843) 5.779 7.645 ( 0.426 -6.175 -0.278) 6.196 7.871 ( 4.691 -1.802 -5.344) 7.336 7.933 ( 3.912 -0.643 2.712) 4.803 8.025 ( 2.203 -0.572 2.580) 3.441 8.158 ( 2.293 -1.501 -4.570) 5.328 8.229 ( 4.829 1.456 -0.539) 5.072 8.507 ( 3.099 -3.347 -4.628) 6.498 8.651 ( 2.999 -6.218 -1.812) 7.137 8.728 ( -2.925 -5.266 -1.013) 6.108 8.907 ( 5.176 7.586 -5.724) 10.821 9.195 ( 2.471 -1.801 3.941) 4.989 9.376 ( -5.452 -0.466 4.056) 6.811 9.779 ( -2.726 2.502 -0.369) 3.719 9.951 ( -2.561 2.451 -1.899) 4.022 10.022 ( -7.289 1.106 2.689) 7.847 10.120 ( 6.362 -0.900 5.597) 8.522 10.153 ( -3.443 -0.789 -1.316) 3.769 10.358 ( -4.145 1.243 -2.004) 4.769 10.445 ( 2.740 -2.050 0.277) 3.433 10.669 ( 5.332 1.773 1.199) 5.746 10.728 ( 1.818 4.820 -4.271) 6.692 10.883 ( -3.644 3.701 1.775) 5.489 11.229 ( -3.076 0.058 5.495) 6.298 11.390 ( -6.090 0.117 4.752) 7.725 11.473 ( -6.902 1.036 4.444) 8.274 11.527 ( -3.355 -1.274 -0.567) 3.634 11.771 ( -1.802 0.319 1.150) 2.161 11.943 ( -1.594 0.826 -5.252) 5.550 12.169 ( 2.191 -0.601 -1.075) 2.513 12.219 ( 5.095 4.909 0.970) 7.141 12.511 ( -6.871 2.907 0.105) 7.461 12.631 ( -4.605 3.624 -0.191) 5.863 12.812 ( 2.035 1.083 -2.155) 3.156 12.987 ( 5.748 -6.753 6.594) 11.051 13.231 ( 1.845 2.424 -1.762) 3.519 13.456 ( 3.642 6.449 4.032) 8.433 13.935 ( -7.985 -5.136 3.710) 10.193 14.032 ( -3.211 0.889 5.979) 6.845 14.090 ( 2.676 -0.262 -1.542) 3.099 14.389 ( 4.966 -1.419 -2.459) 5.721 14.790 ( -1.311 -8.584 -1.933) 8.896 14.843 ( 7.564 3.209 -4.665) 9.448 15.406 ( 8.852 2.700 -10.233) 13.797 15.493 ( 2.032 -0.265 -6.633) 6.942 18.366 ( -3.691 0.116 2.577) 4.503 18.789 ( -8.653 -4.801 6.154) 11.653 19.206 ( 3.763 -2.056 -2.463) 4.945 19.809 ( -2.059 5.668 -3.507) 6.976 20.020 ( -5.532 -2.335 11.150) 12.664 20.406 ( 7.269 1.481 -6.491) 9.857 ======================= Grid point 105 (51/116) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -14.480 7.681 26.716) 31.344 1.351 ( -11.992 9.111 31.276) 34.713 2.175 ( -13.999 6.484 22.772) 27.506 2.356 ( -1.633 -0.754 10.413) 10.567 2.467 ( 8.455 -4.968 -7.439) 12.309 2.757 ( 10.439 -7.812 -1.938) 13.181 2.856 ( 1.606 -0.510 5.342) 5.601 3.156 ( 3.993 6.829 -0.571) 7.931 3.280 ( 1.594 -6.023 -0.651) 6.264 3.390 ( -2.213 -0.510 6.208) 6.611 3.658 ( 5.123 -4.726 -2.685) 7.470 3.771 ( 0.472 10.415 -2.262) 10.669 3.988 ( 0.527 5.933 4.270) 7.329 4.031 ( 0.614 8.056 0.438) 8.091 4.326 ( -8.058 -12.037 11.036) 18.211 4.466 ( -2.438 0.371 -1.633) 2.957 4.642 ( -9.721 -3.143 1.789) 10.372 4.688 ( -8.961 1.894 0.967) 9.210 4.857 ( -4.613 1.062 3.779) 6.057 5.030 ( 2.344 -5.921 -7.699) 9.991 5.168 ( -4.165 -5.477 0.473) 6.897 5.181 ( 4.290 3.561 -9.642) 11.138 5.319 ( -3.606 1.688 -7.597) 8.577 5.433 ( 3.948 7.274 -1.882) 8.488 5.510 ( 9.738 7.926 -2.015) 12.717 5.720 ( -0.736 1.136 -0.843) 1.595 5.782 ( 7.648 3.090 -7.801) 11.353 6.071 ( 0.649 5.055 4.979) 7.125 6.182 ( -6.326 -4.564 3.005) 8.359 6.244 ( 4.591 -6.980 0.884) 8.401 6.375 ( -0.901 -1.518 -5.479) 5.756 6.402 ( 4.549 -1.403 1.982) 5.157 6.486 ( -1.522 4.908 4.750) 6.998 6.566 ( 3.550 3.015 -1.304) 4.837 6.655 ( -0.663 4.670 -1.967) 5.111 6.945 ( 1.027 -10.508 1.281) 10.636 7.125 ( -2.919 -6.947 7.959) 10.960 7.223 ( -1.365 -3.248 2.709) 4.445 7.452 ( 2.630 -1.910 -3.741) 4.956 7.673 ( 5.132 -4.271 0.038) 6.677 7.717 ( 1.951 -4.417 -5.676) 7.452 7.845 ( 2.210 3.635 -3.638) 5.598 8.035 ( -0.036 -6.581 2.299) 6.972 8.128 ( 4.669 -1.106 5.553) 7.339 8.165 ( 5.045 -1.028 -5.974) 7.886 8.259 ( 6.286 2.223 -2.307) 7.055 8.522 ( -6.593 -3.493 0.557) 7.482 8.687 ( 0.127 -1.325 -6.087) 6.230 8.771 ( 5.781 -0.029 -3.095) 6.558 8.840 ( 3.490 4.269 -0.343) 5.524 9.312 ( -6.263 -4.503 2.115) 7.998 9.355 ( 0.400 -3.743 0.856) 3.861 9.615 ( -8.202 5.442 -6.292) 11.682 9.772 ( -10.768 5.322 -0.620) 12.028 9.891 ( -2.283 5.673 -5.940) 8.525 10.163 ( -2.065 -4.192 3.044) 5.576 10.281 ( -0.683 2.250 8.886) 9.192 10.288 ( 4.278 -1.801 -6.725) 8.171 10.529 ( 1.939 -3.291 0.368) 3.838 10.656 ( 0.095 1.016 -2.879) 3.054 10.715 ( 5.461 2.975 3.535) 7.153 10.807 ( -0.859 4.852 2.642) 5.591 11.190 ( -10.489 2.404 7.692) 13.228 11.358 ( -2.498 -1.123 2.148) 3.481 11.420 ( -2.384 1.896 3.477) 4.622 11.531 ( -5.428 -3.905 1.960) 6.968 11.731 ( -0.437 2.685 -1.023) 2.907 11.873 ( -0.444 1.224 -4.753) 4.928 12.103 ( -0.216 8.909 -0.806) 8.948 12.247 ( 3.908 -0.279 0.117) 3.920 12.416 ( -5.333 -2.748 -0.031) 6.000 12.525 ( -3.626 3.613 1.442) 5.318 12.851 ( 2.625 -1.144 -1.851) 3.410 13.227 ( 4.864 0.248 -1.363) 5.058 13.313 ( 7.508 -6.475 5.401) 11.290 13.551 ( 22.557 -0.772 11.617) 25.385 13.921 ( -8.197 -1.910 5.854) 10.252 14.066 ( -2.957 -2.924 4.264) 5.956 14.091 ( 1.615 1.505 -1.909) 2.919 14.437 ( 6.076 0.485 -2.847) 6.727 14.870 ( -0.921 -5.424 -0.107) 5.503 14.924 ( 4.156 -7.218 -2.387) 8.665 15.319 ( 5.029 10.705 -7.589) 14.052 15.439 ( -0.678 0.652 -5.589) 5.668 18.360 ( -3.406 -2.805 2.541) 5.092 18.853 ( -2.961 -4.494 6.486) 8.428 19.089 ( -11.571 6.130 -13.012) 18.460 19.633 ( 2.231 7.366 -6.125) 9.836 20.054 ( -14.594 -3.264 10.444) 18.240 20.406 ( 5.245 1.432 -4.177) 6.857 ======================= Grid point 107 (52/116) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -8.625 -0.000 2.778) 9.061 2.226 ( 16.752 0.000 8.851) 18.946 2.324 ( 11.869 0.000 26.771) 29.285 2.737 ( 16.429 0.000 -10.847) 19.687 2.837 ( 0.976 0.000 18.642) 18.668 2.964 ( -9.848 -0.000 8.471) 12.990 2.989 ( -6.947 -0.000 -13.174) 14.893 3.307 ( -4.105 -0.000 3.288) 5.259 3.369 ( 10.580 0.000 -1.593) 10.699 3.433 ( -0.283 -0.000 6.648) 6.654 3.689 ( -6.692 -0.000 -6.066) 9.032 3.748 ( 4.314 0.000 13.920) 14.573 3.873 ( -0.435 -0.000 -6.962) 6.975 4.003 ( -4.162 -0.000 14.772) 15.347 4.049 ( 3.702 0.000 3.412) 5.035 4.240 ( -8.505 -0.000 -3.312) 9.127 4.361 ( -5.564 -0.000 -13.160) 14.288 4.548 ( -10.800 -0.000 1.599) 10.918 4.688 ( -0.567 -0.000 -2.984) 3.037 4.970 ( 5.516 0.000 6.753) 8.719 5.082 ( -1.167 -0.000 -1.334) 1.772 5.319 ( 10.175 0.000 -5.752) 11.689 5.405 ( 4.166 0.000 -15.198) 15.758 5.531 ( 6.319 0.000 1.901) 6.599 5.532 ( 2.208 0.000 -2.344) 3.220 5.756 ( -3.366 -0.000 -9.353) 9.940 5.808 ( 4.382 0.000 6.544) 7.875 5.843 ( 1.422 0.000 0.562) 1.529 6.159 ( -2.639 -0.000 -2.296) 3.498 6.170 ( 1.312 0.000 7.841) 7.950 6.460 ( 3.910 0.000 1.349) 4.136 6.472 ( -0.232 -0.000 -2.171) 2.183 6.552 ( -4.437 -0.000 2.550) 5.118 6.607 ( 1.582 0.000 -7.531) 7.695 6.729 ( 2.093 0.000 -1.535) 2.595 6.922 ( -1.408 -0.000 -4.130) 4.363 7.066 ( -9.154 -0.000 6.251) 11.085 7.182 ( -7.784 -0.000 6.410) 10.083 7.514 ( 2.963 0.000 -1.304) 3.237 7.588 ( -3.336 -0.000 -5.877) 6.758 7.826 ( 1.459 0.000 -3.116) 3.440 7.873 ( -0.823 -0.000 -1.376) 1.604 7.914 ( -1.020 -0.000 4.906) 5.011 8.153 ( -11.428 -0.000 -0.365) 11.434 8.280 ( -0.035 -0.000 -3.469) 3.469 8.321 ( 2.247 0.000 0.460) 2.294 8.456 ( 1.650 0.000 -4.014) 4.340 8.506 ( 1.140 0.000 -4.635) 4.774 8.764 ( -6.602 -0.000 -9.299) 11.404 8.790 ( -9.742 -0.000 4.568) 10.760 9.063 ( -2.247 -0.000 3.705) 4.333 9.380 ( 12.246 0.000 3.916) 12.856 9.441 ( 0.492 0.000 9.766) 9.778 9.709 ( 5.977 0.000 -7.185) 9.346 9.985 ( 15.685 0.000 -2.474) 15.879 10.133 ( 1.022 0.000 -4.291) 4.411 10.310 ( -2.352 -0.000 3.599) 4.299 10.458 ( -6.963 -0.000 3.302) 7.706 10.533 ( -2.204 -0.000 6.064) 6.452 10.657 ( -0.194 -0.000 1.834) 1.844 10.711 ( 3.852 0.000 -2.129) 4.401 11.078 ( -1.061 -0.000 6.524) 6.610 11.140 ( 1.716 0.000 -2.011) 2.644 11.355 ( -5.290 -0.000 3.103) 6.133 11.361 ( 0.791 0.000 0.040) 0.792 11.538 ( 3.155 0.000 0.127) 3.158 11.660 ( -0.729 -0.000 -4.170) 4.234 11.890 ( 6.842 0.000 2.963) 7.456 11.922 ( -4.934 -0.000 2.004) 5.325 12.328 ( -4.913 -0.000 -3.030) 5.772 12.374 ( 3.142 0.000 2.051) 3.752 12.531 ( 7.722 0.000 0.951) 7.781 12.933 ( 2.106 0.000 2.084) 2.963 13.148 ( -5.197 -0.000 -3.651) 6.351 13.392 ( -1.514 -0.000 2.593) 3.003 13.816 ( -3.569 -0.000 1.077) 3.728 13.960 ( -4.008 -0.000 -4.875) 6.312 14.114 ( -1.561 -0.000 2.311) 2.789 14.488 ( -6.147 -0.000 0.314) 6.155 14.603 ( -2.660 -0.000 0.038) 2.660 14.856 ( -7.236 -0.000 1.711) 7.436 14.975 ( 22.588 0.000 -15.683) 27.498 15.211 ( -0.950 -0.000 0.304) 0.998 15.291 ( 4.815 0.000 -8.419) 9.699 18.364 ( -7.633 -0.000 10.795) 13.221 18.545 ( 5.935 0.000 3.617) 6.950 18.994 ( -0.114 -0.000 0.744) 0.753 19.664 ( 8.950 0.000 -5.911) 10.726 19.774 ( -13.512 -0.000 10.607) 17.178 20.568 ( 4.662 0.000 0.835) 4.736 ======================= Grid point 108 (53/116) ======================= q-point: ( 0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -6.630 4.015 -8.995) 11.874 2.507 ( 2.059 9.709 -6.913) 12.095 2.565 ( 10.235 17.888 14.934) 25.451 2.651 ( 11.384 -0.149 15.964) 19.608 2.816 ( -5.257 1.858 -3.684) 6.683 2.880 ( 4.685 -2.310 -8.031) 9.580 3.034 ( -5.436 -6.277 4.585) 9.485 3.251 ( -4.386 9.783 -3.819) 11.381 3.415 ( -1.585 10.929 -6.518) 12.824 3.503 ( -1.663 -5.003 7.998) 9.579 3.670 ( 2.504 -9.956 -5.491) 11.642 3.740 ( -2.171 1.729 0.119) 2.778 3.836 ( 3.761 7.281 11.778) 14.348 4.033 ( -4.139 -0.778 7.936) 8.984 4.252 ( -1.692 -8.260 4.281) 9.456 4.273 ( 2.638 -10.562 5.869) 12.367 4.345 ( 0.828 -9.842 -4.888) 11.020 4.499 ( -5.401 -10.772 -1.854) 12.192 4.680 ( -0.800 -1.079 4.175) 4.386 4.926 ( 5.788 8.795 -8.470) 13.513 5.091 ( -2.007 6.553 8.556) 10.963 5.293 ( -0.493 -4.149 -6.749) 7.938 5.386 ( 8.711 5.906 -3.743) 11.170 5.513 ( -8.090 0.344 -1.996) 8.340 5.650 ( 0.903 1.052 -1.454) 2.009 5.671 ( 5.751 -7.965 -0.780) 9.856 5.871 ( 0.267 5.533 3.836) 6.738 5.921 ( 8.843 -0.343 0.489) 8.863 6.019 ( -4.512 4.746 -3.148) 7.266 6.275 ( -1.582 -0.215 6.274) 6.474 6.407 ( 2.268 7.091 -5.231) 9.099 6.478 ( -5.072 -3.800 -0.964) 6.411 6.534 ( 7.841 -1.383 -2.477) 8.339 6.649 ( 0.466 -5.303 -2.160) 5.745 6.736 ( -0.391 -1.560 -1.140) 1.971 6.892 ( -0.647 -2.654 -2.600) 3.771 7.037 ( -6.001 -2.314 5.429) 8.417 7.163 ( -5.103 -1.309 4.506) 6.933 7.493 ( -2.155 -0.951 -6.870) 7.263 7.572 ( 3.712 -2.053 -0.923) 4.341 7.713 ( -2.590 7.779 -2.634) 8.612 7.837 ( 0.109 1.659 -1.556) 2.277 7.886 ( -3.356 10.183 4.325) 11.561 8.049 ( -3.779 -0.002 1.044) 3.921 8.206 ( -1.047 2.237 -1.721) 3.010 8.323 ( -3.918 1.069 -3.002) 5.050 8.359 ( 5.562 4.877 -4.649) 8.737 8.515 ( -7.665 -0.935 -5.325) 9.380 8.584 ( -3.556 0.349 -1.749) 3.978 8.800 ( -8.350 -11.901 1.119) 14.581 9.149 ( 3.002 -6.065 3.385) 7.566 9.484 ( 7.658 5.677 7.270) 11.988 9.568 ( 5.079 3.875 -1.712) 6.614 9.746 ( 7.336 -2.162 2.773) 8.135 10.095 ( 7.486 1.787 -2.532) 8.102 10.158 ( 2.021 -2.054 -4.632) 5.455 10.298 ( -0.785 -2.758 -1.049) 3.054 10.415 ( -4.814 1.822 7.742) 9.297 10.525 ( -7.346 -1.201 4.240) 8.566 10.658 ( 0.310 1.912 2.247) 2.966 10.771 ( 5.282 -0.613 -3.363) 6.292 11.098 ( -1.694 0.747 -2.903) 3.443 11.151 ( 1.753 -1.530 4.574) 5.132 11.309 ( -1.420 1.867 2.060) 3.122 11.406 ( -1.486 -2.627 2.890) 4.178 11.604 ( 3.923 -3.483 -1.979) 5.607 11.651 ( 1.546 -0.984 0.297) 1.856 11.887 ( -3.746 -0.693 2.551) 4.585 11.993 ( 5.698 -0.352 -1.178) 5.829 12.259 ( -4.989 -3.174 -3.338) 6.790 12.438 ( 6.155 2.510 5.474) 8.610 12.648 ( 5.961 -1.841 0.728) 6.281 12.974 ( 1.298 0.278 2.645) 2.959 13.032 ( -8.411 0.594 -2.542) 8.807 13.432 ( 1.654 -3.029 1.834) 3.909 13.727 ( -3.659 5.662 -3.396) 7.548 13.888 ( -4.267 -3.940 -4.386) 7.278 14.093 ( -2.855 1.196 1.544) 3.460 14.251 ( -10.564 14.466 4.308) 18.423 14.540 ( -3.281 3.381 -0.066) 4.712 14.840 ( -7.779 -5.082 1.387) 9.395 15.029 ( 13.630 5.254 -11.376) 18.514 15.264 ( 3.770 -6.656 -6.327) 9.927 15.289 ( 7.415 -0.477 -9.057) 11.715 18.415 ( -2.620 0.099 11.055) 11.361 18.688 ( 5.669 -4.228 4.739) 8.513 18.966 ( -3.026 0.759 -0.764) 3.212 19.687 ( -5.182 2.145 7.432) 9.310 19.789 ( 4.906 -6.241 -3.813) 8.807 20.606 ( 3.305 2.817 0.948) 4.445 ======================= Grid point 109 (54/116) ======================= q-point: (-0.57 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 2.325 1.035 -10.127) 10.442 2.171 ( -0.562 9.142 -13.700) 16.479 2.569 ( -0.742 21.039 9.365) 23.041 2.635 ( -8.201 5.562 -4.383) 10.835 2.791 ( 4.598 6.503 -3.400) 8.659 2.838 ( -5.915 8.210 1.962) 10.307 2.988 ( -5.352 6.202 0.494) 8.207 3.162 ( 5.330 -0.652 -1.800) 5.664 3.212 ( 10.244 -0.043 -3.105) 10.705 3.535 ( -7.002 1.339 2.373) 7.514 3.666 ( -1.224 -4.903 6.969) 8.608 3.868 ( 2.092 4.290 9.471) 10.606 3.907 ( 1.696 -9.495 -3.455) 10.245 4.092 ( 0.836 1.781 6.417) 6.712 4.237 ( -12.900 0.097 -3.043) 13.254 4.452 ( 3.128 -6.569 3.330) 8.002 4.542 ( 6.422 -7.063 5.314) 10.926 4.709 ( -3.744 -13.809 -0.970) 14.341 4.721 ( -7.790 -2.326 6.737) 10.558 4.896 ( 13.077 -2.398 -3.091) 13.649 4.973 ( -1.537 8.239 1.721) 8.556 5.249 ( 4.425 11.120 -1.157) 12.024 5.410 ( 1.040 -4.087 -0.719) 4.278 5.426 ( -7.148 -7.242 -0.826) 10.209 5.595 ( -3.021 3.494 0.797) 4.687 5.755 ( -5.467 4.624 8.136) 10.838 5.864 ( 8.880 -4.907 -4.267) 11.006 5.932 ( -0.604 3.506 -3.277) 4.837 6.079 ( 9.921 -4.226 -2.046) 10.976 6.183 ( 0.364 13.233 0.391) 13.244 6.312 ( -2.667 -4.017 -1.743) 5.127 6.504 ( -2.055 -5.841 0.240) 6.197 6.648 ( -1.470 -1.526 -0.189) 2.127 6.720 ( 11.563 -3.332 -5.573) 13.261 6.758 ( -0.177 -1.579 1.390) 2.111 6.897 ( -1.278 -0.239 -1.659) 2.108 7.044 ( 0.006 1.801 0.898) 2.012 7.151 ( -7.430 -3.754 2.341) 8.647 7.430 ( 1.885 7.100 -3.923) 8.328 7.562 ( -3.853 3.267 -6.843) 8.506 7.589 ( -1.965 -0.029 1.212) 2.309 7.680 ( -7.371 6.310 2.954) 10.143 7.825 ( 5.814 0.786 -3.476) 6.820 8.078 ( 3.000 -2.816 0.319) 4.127 8.160 ( 0.027 2.383 0.601) 2.458 8.224 ( -3.950 -0.632 -3.708) 5.454 8.330 ( 0.857 2.052 -2.073) 3.040 8.415 ( -0.901 -2.038 -3.330) 4.006 8.572 ( -2.008 -2.055 -0.977) 3.035 8.876 ( -7.518 -9.773 1.717) 12.449 9.345 ( 3.566 -10.047 0.818) 10.692 9.481 ( 5.262 8.769 -4.518) 11.180 9.538 ( 4.943 6.396 7.151) 10.792 9.908 ( 4.133 -1.602 6.156) 7.586 10.114 ( -1.346 2.641 0.170) 2.969 10.123 ( 0.127 -1.747 -2.590) 3.126 10.295 ( -2.718 0.114 -1.285) 3.008 10.437 ( -3.542 -1.938 2.151) 4.575 10.495 ( -2.870 -1.554 2.876) 4.350 10.635 ( 0.841 5.693 1.956) 6.078 10.798 ( 5.132 -1.350 -4.995) 7.287 11.031 ( -0.582 2.496 -3.332) 4.204 11.234 ( 0.343 -0.291 6.190) 6.207 11.323 ( 1.020 -0.096 5.118) 5.219 11.435 ( -3.908 -2.708 1.780) 5.077 11.641 ( 1.313 0.669 -2.778) 3.144 11.714 ( 1.579 -1.842 2.561) 3.527 11.918 ( 1.164 -2.117 2.175) 3.251 12.035 ( 2.547 -1.248 -1.574) 3.244 12.233 ( -2.881 -4.287 -3.063) 6.005 12.560 ( 6.728 -0.843 6.046) 9.084 12.710 ( 3.081 1.493 0.113) 3.426 12.878 ( -9.294 2.295 -2.381) 9.864 13.000 ( -0.037 1.255 2.370) 2.682 13.515 ( -5.122 4.952 0.565) 7.147 13.548 ( 1.861 -1.741 -3.185) 4.079 13.885 ( -2.182 -2.680 -2.964) 4.553 13.987 ( -3.061 7.041 2.980) 8.236 14.081 ( -2.904 -0.405 0.551) 2.983 14.413 ( -6.109 6.104 1.270) 8.729 14.798 ( -5.608 0.221 -0.539) 5.638 15.005 ( 7.405 3.747 -7.819) 11.402 15.312 ( 8.809 -1.629 -9.355) 12.952 15.359 ( 5.235 -6.510 -8.777) 12.117 18.465 ( 0.713 3.205 8.497) 9.109 18.801 ( -2.356 1.120 0.269) 2.623 18.958 ( -1.404 -6.088 5.932) 8.616 19.683 ( -7.116 -1.036 11.227) 13.333 19.923 ( 9.815 -6.311 -8.599) 14.495 20.579 ( 1.372 5.440 -0.075) 5.611 ======================= Grid point 110 (55/116) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 7.112 -5.568 -9.021) 12.766 2.036 ( 6.169 -0.019 -12.509) 13.947 2.217 ( -9.253 23.015 -2.211) 24.904 2.238 ( -10.683 23.290 8.819) 27.098 2.653 ( 2.478 7.671 -8.691) 11.854 2.718 ( -4.366 -3.943 -1.231) 6.010 3.011 ( 1.302 1.166 8.794) 8.966 3.206 ( 5.838 2.413 -9.098) 11.076 3.262 ( 3.339 -3.960 -0.143) 5.182 3.630 ( -5.745 -3.390 13.640) 15.184 3.709 ( -4.613 6.097 8.983) 11.796 3.892 ( -2.689 0.120 4.134) 4.933 3.915 ( -1.305 10.680 -0.602) 10.776 4.037 ( -5.315 -0.302 5.732) 7.823 4.135 ( 5.813 2.645 3.955) 7.512 4.509 ( -7.957 -0.699 -2.857) 8.484 4.668 ( 5.133 -1.457 3.241) 6.243 4.728 ( -3.340 -6.208 3.949) 8.080 4.794 ( -4.902 -6.486 -1.231) 8.223 4.942 ( 2.397 0.754 1.271) 2.816 5.116 ( 3.582 -3.879 -1.019) 5.378 5.215 ( 3.924 -3.087 0.775) 5.052 5.423 ( -1.467 -1.241 -5.290) 5.629 5.462 ( -4.735 -2.206 -1.526) 5.442 5.545 ( -0.690 -5.189 4.211) 6.718 5.731 ( -3.279 3.993 4.452) 6.820 5.865 ( 5.274 2.399 -0.284) 5.801 5.951 ( 7.418 4.325 -2.632) 8.982 6.076 ( 4.481 3.234 1.890) 5.841 6.210 ( 9.672 -3.850 -9.051) 13.795 6.336 ( -3.512 -0.274 0.514) 3.559 6.543 ( -6.344 -1.852 2.914) 7.222 6.627 ( 2.353 -3.242 -7.006) 8.070 6.773 ( -3.180 0.923 -0.261) 3.322 6.824 ( 6.578 1.778 2.583) 7.287 6.837 ( -1.495 4.668 4.075) 6.374 7.007 ( 1.641 3.043 0.486) 3.491 7.131 ( -7.069 13.009 -7.025) 16.388 7.217 ( -4.118 -9.507 1.489) 10.467 7.476 ( 2.089 -1.279 -6.599) 7.039 7.551 ( -3.933 1.593 1.381) 4.463 7.696 ( 0.469 -7.382 1.211) 7.495 7.894 ( 6.828 -2.073 -1.905) 7.386 8.090 ( -2.255 0.208 -3.889) 4.500 8.135 ( 3.067 3.478 1.566) 4.895 8.273 ( 5.260 0.360 -4.337) 6.827 8.333 ( 1.130 -11.547 -0.572) 11.616 8.442 ( 1.874 -2.285 -3.609) 4.665 8.565 ( -3.557 -4.207 -2.042) 5.875 8.945 ( -3.091 -5.335 3.765) 7.224 9.329 ( 2.361 9.280 -2.086) 9.800 9.482 ( -0.300 3.222 2.183) 3.904 9.616 ( 2.410 -6.817 1.065) 7.309 9.988 ( -1.382 -2.159 3.764) 4.554 10.047 ( -3.456 3.150 1.115) 4.807 10.140 ( 0.887 -1.337 -0.963) 1.872 10.218 ( -4.435 4.025 1.114) 6.092 10.380 ( -5.279 0.716 -0.031) 5.327 10.500 ( 1.079 3.672 -0.671) 3.886 10.650 ( 5.834 -2.224 1.537) 6.430 10.830 ( 3.361 -0.099 -3.881) 5.135 10.954 ( -0.698 3.708 -1.845) 4.200 11.281 ( 0.403 2.138 6.432) 6.790 11.398 ( -0.400 -0.349 7.796) 7.814 11.412 ( -6.246 -1.328 0.429) 6.400 11.600 ( -0.490 3.169 0.012) 3.207 11.761 ( -0.468 -0.217 3.165) 3.207 11.948 ( 0.748 -0.008 -1.999) 2.135 12.086 ( 1.684 -3.590 -0.862) 4.058 12.267 ( 1.659 -3.122 -1.369) 3.791 12.653 ( -4.588 3.615 3.424) 6.771 12.693 ( -2.335 2.462 -0.783) 3.482 12.777 ( 5.263 -2.809 0.895) 6.033 12.960 ( -2.193 3.633 0.048) 4.243 13.338 ( -1.867 4.984 -3.805) 6.542 13.623 ( 2.557 0.973 4.285) 5.084 13.795 ( -7.735 0.929 3.477) 8.531 14.030 ( 4.371 -3.055 -2.975) 6.106 14.100 ( 0.850 -2.160 0.124) 2.324 14.290 ( -4.149 0.408 2.075) 4.657 14.706 ( -4.326 1.764 -1.526) 4.914 14.961 ( 5.463 3.627 -7.286) 9.803 15.364 ( 5.307 -3.543 -7.926) 10.175 15.430 ( 7.795 -3.921 -9.973) 13.251 18.494 ( 4.891 6.292 4.634) 9.219 18.694 ( -11.007 0.216 3.682) 11.608 19.117 ( 1.233 -5.221 5.639) 7.783 19.732 ( -8.648 -5.157 9.638) 13.938 20.035 ( 9.060 -2.315 -7.870) 12.222 20.491 ( 0.075 5.309 -2.714) 5.963 ======================= Grid point 111 (56/116) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -9.610 9.182 1.311) 13.356 1.738 ( -1.463 6.273 1.521) 6.618 1.921 ( 3.078 16.271 9.142) 18.915 2.184 ( 4.485 -9.864 -5.817) 12.299 2.532 ( 2.513 3.856 -0.732) 4.660 2.804 ( 3.187 -6.612 0.591) 7.364 3.056 ( 2.182 0.756 3.319) 4.043 3.165 ( -9.774 14.967 7.806) 19.506 3.249 ( -0.332 -4.598 -1.006) 4.718 3.498 ( -0.339 13.051 11.672) 17.513 3.715 ( 2.430 9.568 1.199) 9.944 3.860 ( 3.976 -6.600 1.963) 7.951 3.938 ( -7.410 -7.071 6.821) 12.306 4.117 ( 3.796 0.369 4.939) 6.240 4.207 ( 1.727 2.111 6.861) 7.383 4.447 ( -0.732 -5.297 -9.979) 11.322 4.619 ( -11.855 5.401 9.695) 16.239 4.736 ( -10.026 0.368 -0.303) 10.037 4.869 ( 7.433 -5.206 -5.661) 10.695 4.947 ( -0.290 1.999 1.286) 2.395 5.075 ( -7.283 0.892 -0.956) 7.399 5.236 ( -0.766 0.895 -8.808) 8.886 5.347 ( -2.551 0.966 -5.110) 5.792 5.536 ( -1.309 -12.125 2.737) 12.499 5.631 ( 2.584 5.015 2.486) 6.165 5.781 ( 6.552 -7.784 -0.332) 10.179 5.883 ( 12.799 11.575 -0.839) 17.277 5.986 ( 5.133 -1.561 -0.635) 5.402 6.108 ( -0.546 1.002 -1.055) 1.554 6.250 ( -5.016 3.219 5.415) 8.052 6.308 ( 12.612 -2.509 -6.225) 14.287 6.456 ( -11.060 2.756 2.474) 11.664 6.627 ( 2.972 4.676 -2.480) 6.071 6.685 ( -9.810 -0.956 3.015) 10.307 6.745 ( -3.346 7.556 2.385) 8.601 6.881 ( 4.118 3.442 -2.407) 5.882 6.948 ( 0.878 -5.763 -0.431) 5.846 7.037 ( 3.184 -0.921 2.371) 4.075 7.334 ( -0.066 -6.120 -0.280) 6.127 7.512 ( 0.661 -7.681 -4.300) 8.827 7.553 ( 3.025 -3.648 -2.734) 5.471 7.792 ( -0.970 -5.765 -1.856) 6.133 7.972 ( -3.364 -0.042 1.437) 3.658 8.065 ( 7.017 -3.002 -2.506) 8.033 8.146 ( 2.267 1.166 -0.268) 2.563 8.271 ( 2.219 -1.181 -3.125) 4.011 8.435 ( -0.894 -1.277 -3.449) 3.785 8.566 ( 2.138 -7.421 -0.789) 7.763 8.595 ( 3.805 -10.374 -5.324) 12.266 8.996 ( 2.558 1.777 -0.099) 3.116 9.227 ( -3.058 4.008 4.659) 6.864 9.409 ( -1.980 5.957 1.544) 6.464 9.668 ( -5.618 -4.291 -6.257) 9.440 9.935 ( -7.340 4.515 1.133) 8.692 10.037 ( -1.382 1.656 4.531) 5.018 10.080 ( -3.514 -0.302 -4.554) 5.759 10.202 ( 3.270 -1.455 1.062) 3.733 10.332 ( -2.064 1.321 3.099) 3.951 10.474 ( 3.405 1.587 -0.886) 3.860 10.782 ( 8.337 0.418 0.918) 8.398 10.798 ( 1.658 4.152 -3.152) 5.470 10.890 ( -2.151 1.455 2.071) 3.322 11.291 ( -2.227 2.334 6.255) 7.038 11.321 ( -9.447 0.964 1.928) 9.690 11.456 ( -1.093 0.343 5.765) 5.878 11.535 ( -2.128 4.091 1.026) 4.725 11.773 ( -0.589 0.694 1.677) 1.908 11.928 ( 2.367 1.838 -3.394) 4.528 12.150 ( 1.607 -3.357 -1.283) 3.937 12.314 ( 2.311 -0.553 0.431) 2.415 12.495 ( -5.698 7.309 -1.990) 9.479 12.619 ( -4.482 2.725 -0.841) 5.312 12.841 ( 1.525 1.713 -0.282) 2.311 13.040 ( 7.596 -8.131 8.572) 14.046 13.268 ( 2.277 2.107 -2.546) 4.013 13.654 ( 4.490 6.037 6.000) 9.624 13.781 ( -6.871 -6.844 2.643) 10.052 14.051 ( -2.598 1.403 0.665) 3.027 14.103 ( 0.034 -0.420 2.636) 2.669 14.381 ( 5.292 -6.023 -2.202) 8.314 14.652 ( -2.878 -3.142 -0.592) 4.302 14.919 ( 5.646 2.034 -6.856) 9.111 15.388 ( 1.497 -2.919 -6.773) 7.526 15.475 ( 8.936 -0.139 -10.720) 13.957 18.448 ( 1.533 8.449 1.959) 8.807 18.677 ( -6.390 -5.133 8.071) 11.503 19.193 ( -1.447 0.058 0.354) 1.491 19.752 ( -10.476 -3.959 4.272) 11.986 20.044 ( 2.192 4.350 -2.216) 5.351 20.416 ( 1.992 0.182 -6.183) 6.498 ======================= Grid point 112 (57/116) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -7.648 8.189 24.786) 27.201 1.691 ( -3.068 11.563 21.186) 24.330 2.054 ( 7.539 -11.342 -3.222) 13.995 2.357 ( 7.569 -13.299 -9.040) 17.773 2.602 ( 3.343 -2.745 5.375) 6.900 2.928 ( 3.026 16.412 16.860) 23.723 2.949 ( -1.194 4.194 12.818) 13.539 3.158 ( 3.730 -6.026 2.828) 7.630 3.302 ( -1.453 0.345 1.904) 2.420 3.402 ( 1.350 0.999 -1.921) 2.552 3.688 ( 0.375 2.673 2.170) 3.463 3.883 ( 2.655 3.871 -5.815) 7.473 4.043 ( -6.374 -1.394 1.041) 6.607 4.105 ( -1.451 6.596 1.193) 6.859 4.287 ( -3.010 -1.428 11.502) 11.975 4.421 ( -5.102 -1.207 2.193) 5.684 4.489 ( -3.365 -1.760 0.394) 3.818 4.606 ( -6.321 1.529 0.394) 6.515 4.880 ( -4.385 6.247 0.951) 7.691 4.926 ( 2.730 -0.325 -7.999) 8.459 4.999 ( -6.629 -8.730 -0.707) 10.985 5.173 ( 6.405 -1.309 -9.164) 11.256 5.240 ( -0.649 2.485 -7.651) 8.070 5.582 ( 6.465 4.314 -4.450) 8.956 5.695 ( -0.572 -0.574 3.141) 3.244 5.789 ( 5.574 8.602 -2.657) 10.589 5.870 ( 3.354 6.589 -4.022) 8.417 6.067 ( -3.321 -2.650 2.621) 4.992 6.112 ( 4.246 -7.972 -0.941) 9.081 6.160 ( -8.228 5.607 -1.568) 10.079 6.351 ( -3.150 -1.215 1.281) 3.611 6.490 ( 4.384 2.423 0.426) 5.027 6.547 ( 2.105 -1.416 3.567) 4.378 6.659 ( -0.463 -0.324 1.927) 2.008 6.690 ( 4.619 4.627 1.759) 6.770 6.880 ( 1.318 -1.027 -0.549) 1.759 7.062 ( -3.108 -6.347 4.374) 8.312 7.164 ( 3.752 -5.380 4.495) 7.952 7.387 ( 0.840 -4.357 -2.252) 4.976 7.587 ( -0.322 -6.860 -4.972) 8.478 7.663 ( 4.412 -6.228 -1.538) 7.786 7.826 ( 0.104 -2.599 -3.704) 4.526 7.902 ( -6.919 -4.077 -1.952) 8.265 8.143 ( 0.278 -0.120 -1.102) 1.143 8.217 ( 5.386 -4.170 1.146) 6.907 8.324 ( 5.569 -2.767 -2.605) 6.742 8.404 ( -4.114 -0.618 -1.003) 4.280 8.596 ( -1.322 -3.101 -1.240) 3.592 8.790 ( 6.509 -7.381 -5.500) 11.273 8.939 ( 3.331 7.776 -2.096) 8.715 9.222 ( -5.463 -1.670 4.727) 7.415 9.314 ( -5.966 3.673 3.119) 7.669 9.538 ( -2.532 0.547 -9.343) 9.695 9.750 ( -9.692 8.149 2.404) 12.889 9.942 ( 2.768 5.573 -5.913) 8.584 10.113 ( -1.824 -3.855 5.124) 6.666 10.250 ( 2.561 0.146 -5.000) 5.620 10.363 ( -1.076 -2.001 7.929) 8.248 10.523 ( 3.450 -1.855 0.458) 3.944 10.696 ( 1.575 6.187 -4.349) 7.725 10.808 ( -2.157 3.443 4.379) 5.974 10.939 ( 7.857 1.762 2.439) 8.414 11.196 ( -9.227 3.971 6.543) 11.988 11.314 ( -2.743 -3.655 2.804) 5.362 11.446 ( -1.454 3.049 2.288) 4.080 11.487 ( -1.818 1.209 3.497) 4.122 11.745 ( -0.729 1.834 -1.750) 2.638 11.883 ( 2.406 4.265 -3.254) 5.879 12.194 ( 1.375 2.081 -1.097) 2.725 12.273 ( -6.838 3.013 -4.017) 8.484 12.356 ( 2.948 0.900 2.205) 3.790 12.538 ( -2.445 2.290 0.846) 3.455 12.859 ( 1.975 -0.095 0.122) 1.981 13.255 ( 2.508 0.783 -3.368) 4.271 13.349 ( 4.121 -6.107 6.427) 9.777 13.774 ( 5.343 -8.315 4.976) 11.065 13.842 ( 2.881 -5.478 5.593) 8.342 14.033 ( -2.000 -2.009 2.575) 3.830 14.114 ( -1.358 0.864 1.100) 1.949 14.477 ( 4.855 -1.788 -2.015) 5.553 14.716 ( 0.244 -6.708 -0.051) 6.713 14.937 ( 5.906 -1.980 -5.262) 8.154 15.367 ( 0.001 -1.259 -6.452) 6.574 15.438 ( 6.063 6.064 -9.416) 12.735 18.384 ( -0.377 4.247 4.495) 6.196 18.765 ( -3.254 -5.329 1.762) 6.488 19.025 ( -10.439 11.044 -0.297) 15.200 19.686 ( -2.945 1.186 -1.383) 3.463 19.960 ( -7.539 3.197 4.535) 9.360 20.425 ( 4.275 -1.933 -4.082) 6.219 ======================= Grid point 115 (58/116) ======================= q-point: ( 0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -2.419 -0.000 -8.743) 9.072 2.379 ( -8.693 -0.000 -17.020) 19.111 2.593 ( -9.648 -0.000 -10.733) 14.432 2.890 ( 9.678 0.000 -10.378) 14.191 2.925 ( 2.117 0.000 15.055) 15.203 2.983 ( 4.972 0.000 9.975) 11.145 3.062 ( 7.675 0.000 10.594) 13.082 3.278 ( -3.609 -0.000 -10.133) 10.756 3.402 ( -3.694 -0.000 -4.322) 5.686 3.488 ( -1.430 -0.000 6.525) 6.680 3.651 ( 6.199 0.000 -0.371) 6.210 3.737 ( 1.312 0.000 -2.591) 2.905 3.911 ( -8.283 -0.000 3.415) 8.959 4.109 ( 5.008 0.000 9.746) 10.957 4.157 ( -1.498 -0.000 -3.731) 4.020 4.227 ( -2.632 -0.000 8.084) 8.501 4.382 ( 12.456 0.000 -1.176) 12.511 4.387 ( -1.859 -0.000 10.082) 10.252 4.666 ( -1.336 -0.000 3.537) 3.780 4.992 ( 3.581 0.000 -6.571) 7.484 5.095 ( -4.061 -0.000 -7.535) 8.560 5.270 ( -3.592 -0.000 15.250) 15.667 5.393 ( -9.026 -0.000 -0.924) 9.073 5.544 ( 17.896 0.000 -15.317) 23.556 5.656 ( 1.932 0.000 1.149) 2.248 5.658 ( -0.020 -0.000 5.926) 5.926 5.919 ( -3.563 -0.000 3.561) 5.037 5.990 ( -6.882 -0.000 -0.758) 6.923 6.083 ( 14.704 0.000 -3.398) 15.092 6.254 ( -11.569 -0.000 7.098) 13.573 6.391 ( -5.263 -0.000 4.806) 7.127 6.449 ( 7.217 0.000 -9.509) 11.938 6.536 ( 5.158 0.000 -9.167) 10.518 6.642 ( 6.215 0.000 -2.323) 6.635 6.759 ( 3.942 0.000 0.253) 3.950 6.816 ( -1.240 -0.000 -2.676) 2.949 6.960 ( -9.919 -0.000 7.114) 12.207 7.153 ( -1.772 -0.000 4.618) 4.946 7.383 ( -2.246 -0.000 -4.822) 5.319 7.601 ( 1.525 0.000 0.220) 1.541 7.753 ( 2.255 0.000 -6.646) 7.018 7.801 ( -3.020 -0.000 2.127) 3.693 7.920 ( -6.894 -0.000 -1.409) 7.037 8.067 ( 1.109 0.000 3.777) 3.936 8.173 ( -3.633 -0.000 -1.073) 3.788 8.240 ( -2.041 -0.000 -11.360) 11.542 8.381 ( -6.277 -0.000 -1.538) 6.463 8.416 ( 2.802 0.000 -4.469) 5.275 8.562 ( -12.784 -0.000 2.755) 13.078 8.606 ( 3.760 0.000 3.592) 5.200 9.165 ( 1.979 0.000 3.233) 3.790 9.649 ( 5.901 0.000 -6.258) 8.602 9.655 ( 3.092 0.000 6.467) 7.168 9.855 ( 8.201 0.000 5.612) 9.937 10.095 ( 0.039 0.000 -3.669) 3.669 10.139 ( -4.908 -0.000 -4.193) 6.455 10.262 ( 4.171 0.000 -1.204) 4.342 10.432 ( -5.011 -0.000 6.460) 8.176 10.460 ( -7.756 -0.000 5.277) 9.381 10.722 ( 5.759 0.000 -0.230) 5.764 10.784 ( -0.159 -0.000 -2.899) 2.903 11.075 ( 4.552 0.000 -6.550) 7.976 11.230 ( 2.072 0.000 9.402) 9.628 11.337 ( -2.093 -0.000 4.328) 4.807 11.389 ( 1.839 0.000 -1.451) 2.343 11.624 ( 5.687 0.000 1.291) 5.832 11.684 ( 2.696 0.000 1.744) 3.211 11.877 ( -1.178 -0.000 2.421) 2.692 12.040 ( 2.905 0.000 -0.906) 3.043 12.136 ( -5.285 -0.000 -3.554) 6.369 12.579 ( 4.617 0.000 5.992) 7.564 12.706 ( 5.453 0.000 -0.538) 5.480 12.919 ( -7.948 -0.000 -1.440) 8.077 13.014 ( 0.987 0.000 2.342) 2.541 13.451 ( 2.367 0.000 2.482) 3.429 13.689 ( -9.230 -0.000 -6.513) 11.297 13.748 ( 1.177 0.000 -5.198) 5.330 14.062 ( -4.064 -0.000 -0.004) 4.064 14.265 ( -11.627 -0.000 3.905) 12.265 14.517 ( -4.129 -0.000 -0.883) 4.222 14.699 ( -9.166 -0.000 4.249) 10.103 15.150 ( -3.833 -0.000 0.340) 3.848 15.157 ( 17.178 0.000 -17.587) 24.584 15.322 ( 10.445 0.000 -10.078) 14.514 18.531 ( -0.932 -0.000 16.188) 16.215 18.754 ( 3.182 0.000 5.405) 6.272 18.919 ( -1.066 -0.000 -5.277) 5.383 19.682 ( -10.280 -0.000 10.257) 14.522 19.796 ( 12.286 0.000 -8.861) 15.148 20.663 ( 0.990 0.000 0.686) 1.204 ======================= Grid point 116 (59/116) ======================= q-point: (-0.57 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 3.879 0.671 -9.004) 9.827 2.136 ( 0.756 4.992 -13.796) 14.691 2.439 ( -6.496 -4.519 -6.924) 10.514 2.783 ( -0.514 9.793 -9.145) 13.409 2.809 ( -8.498 13.094 -6.225) 16.805 3.081 ( 0.982 1.207 3.618) 3.939 3.116 ( 0.191 7.202 3.517) 8.017 3.191 ( -0.067 7.516 -4.526) 8.774 3.360 ( 6.068 1.096 4.914) 7.885 3.552 ( 10.592 -4.264 -4.328) 12.210 3.630 ( -6.478 5.805 10.517) 13.648 3.804 ( 2.106 -6.123 2.670) 7.004 3.957 ( -4.131 -4.582 5.577) 8.316 4.058 ( -3.980 1.824 -5.777) 7.248 4.221 ( -1.103 1.132 9.567) 9.697 4.351 ( 2.453 -12.081 2.858) 12.655 4.487 ( 1.517 -5.166 2.963) 6.146 4.618 ( 5.801 -6.677 4.655) 9.996 4.699 ( -1.534 5.015 4.688) 7.034 4.942 ( 6.978 -3.551 -6.338) 10.074 5.122 ( -1.094 -3.126 5.038) 6.029 5.244 ( -5.767 5.671 -0.722) 8.120 5.309 ( -2.622 -4.690 -1.997) 5.732 5.467 ( 0.309 11.812 0.446) 11.824 5.634 ( -3.573 5.526 3.446) 7.428 5.822 ( 1.442 -6.046 3.450) 7.109 5.878 ( 5.508 2.112 -1.872) 6.189 5.936 ( -2.803 -1.624 2.116) 3.869 6.156 ( 4.112 0.242 -2.163) 4.652 6.213 ( -5.452 2.723 0.592) 6.123 6.326 ( 0.275 -1.207 0.571) 1.364 6.460 ( 9.615 4.338 -4.827) 11.600 6.573 ( -0.152 -3.706 -5.822) 6.903 6.734 ( 7.254 -7.389 -3.019) 10.786 6.760 ( -0.589 1.989 1.313) 2.455 6.830 ( -0.721 -4.412 -0.281) 4.479 6.983 ( -5.265 -6.585 4.737) 9.670 7.123 ( 0.950 5.992 -1.479) 6.245 7.425 ( 3.270 -6.799 -1.207) 7.641 7.536 ( -11.047 6.489 1.935) 12.957 7.654 ( 4.275 7.450 -6.008) 10.482 7.711 ( -7.512 8.268 -1.517) 11.274 7.856 ( 4.942 -1.547 -1.813) 5.486 8.059 ( -2.603 -1.334 -3.287) 4.400 8.098 ( -0.607 0.216 -3.828) 3.882 8.207 ( 2.332 -2.070 -0.603) 3.176 8.317 ( -3.598 -0.059 -1.624) 3.948 8.399 ( 3.115 1.743 -2.251) 4.220 8.475 ( -7.996 -2.982 0.632) 8.557 8.750 ( 1.283 -5.900 6.933) 9.194 9.251 ( -0.204 -6.912 1.644) 7.108 9.604 ( 4.452 6.162 -5.707) 9.506 9.711 ( 2.968 3.745 3.535) 5.944 9.972 ( -5.563 -1.046 -5.946) 8.209 9.993 ( 0.015 -1.939 4.491) 4.892 10.119 ( -1.558 -1.608 -0.322) 2.262 10.281 ( 0.438 1.181 0.420) 1.328 10.419 ( -3.803 1.034 4.296) 5.830 10.450 ( -4.177 -2.862 5.308) 7.336 10.713 ( -0.671 2.889 -2.874) 4.130 10.791 ( 5.605 -1.230 -4.555) 7.326 11.069 ( 4.315 2.581 -4.910) 7.027 11.299 ( -1.437 0.330 5.964) 6.143 11.372 ( -0.802 -0.592 5.364) 5.456 11.437 ( 6.374 1.614 3.035) 7.242 11.690 ( 2.899 2.284 1.795) 4.104 11.757 ( 3.605 0.044 3.895) 5.308 11.912 ( 0.170 -3.032 1.828) 3.545 12.043 ( 0.826 1.078 -1.732) 2.201 12.094 ( -2.473 -5.746 -1.553) 6.445 12.664 ( 1.823 0.067 4.644) 4.990 12.753 ( 3.572 -0.174 -1.699) 3.959 12.804 ( -6.665 2.522 -0.296) 7.133 13.026 ( -0.828 0.994 0.121) 1.300 13.485 ( -7.070 4.035 -4.874) 9.488 13.525 ( -0.654 -3.341 4.137) 5.358 13.774 ( 5.708 -5.432 -8.990) 11.954 14.018 ( -3.104 -0.509 1.050) 3.316 14.102 ( -6.798 7.850 3.814) 11.063 14.423 ( -4.768 3.881 -1.027) 6.233 14.678 ( -8.726 -4.902 3.293) 10.536 15.058 ( 1.063 4.301 -4.010) 5.976 15.255 ( 9.629 -5.194 -12.258) 16.430 15.357 ( 11.240 0.617 -10.283) 15.247 18.613 ( -4.477 3.532 14.816) 15.875 18.843 ( 3.832 5.874 -4.740) 8.465 18.896 ( -0.633 -8.051 8.058) 11.408 19.646 ( -10.124 -0.951 8.465) 13.231 19.900 ( 12.284 -4.435 -9.882) 16.377 20.635 ( -1.818 3.119 -0.986) 3.742 ======================= Grid point 117 (60/116) ======================= q-point: (-0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 6.691 -1.877 -8.519) 10.994 2.032 ( 8.863 3.304 -10.725) 14.300 2.419 ( -3.632 16.352 -3.991) 17.220 2.452 ( -3.397 12.050 -3.745) 13.068 2.493 ( -5.394 -3.950 -0.875) 6.743 2.869 ( 1.592 17.137 -4.466) 17.781 3.135 ( 3.927 -1.091 -0.409) 4.097 3.150 ( -1.141 -4.408 -3.352) 5.654 3.367 ( -0.406 11.420 -2.445) 11.685 3.576 ( -4.968 -4.074 6.640) 9.239 3.748 ( -0.993 -6.258 8.802) 10.846 3.896 ( -3.638 -0.357 5.870) 6.915 3.921 ( -0.755 4.953 3.335) 6.018 4.102 ( 6.910 -6.009 2.546) 9.505 4.281 ( -3.727 -2.429 5.058) 6.736 4.455 ( -0.787 8.777 -2.748) 9.230 4.595 ( 2.373 -10.628 1.763) 11.032 4.666 ( -4.041 0.509 5.207) 6.610 4.748 ( -0.698 1.018 6.260) 6.381 4.954 ( 0.989 0.672 -6.868) 6.971 5.119 ( 1.810 -3.614 -1.458) 4.296 5.262 ( -1.425 2.232 -5.169) 5.808 5.296 ( -0.936 -5.095 7.338) 8.982 5.408 ( -1.204 3.368 1.364) 3.828 5.531 ( -4.625 1.035 4.046) 6.231 5.802 ( -6.011 3.076 6.181) 9.154 5.950 ( 3.888 0.102 4.010) 5.586 6.025 ( 8.429 -4.789 -4.315) 10.611 6.119 ( 0.656 0.104 -4.925) 4.969 6.232 ( 5.542 -4.871 -4.598) 8.693 6.387 ( 7.938 4.705 1.441) 9.339 6.482 ( -2.200 2.888 -0.277) 3.641 6.517 ( 0.793 -2.779 -2.018) 3.525 6.725 ( -2.721 -0.323 -3.706) 4.609 6.859 ( -2.354 -2.951 0.909) 3.883 6.926 ( -8.838 -6.559 0.110) 11.007 6.983 ( 8.998 2.262 1.464) 9.392 7.135 ( -0.127 2.190 -0.349) 2.222 7.213 ( -2.759 8.867 -1.829) 9.465 7.462 ( 0.938 3.044 -4.412) 5.442 7.554 ( -1.571 3.904 -2.443) 4.866 7.630 ( 0.017 -2.702 2.132) 3.442 7.942 ( 1.683 -1.066 1.146) 2.299 7.981 ( 0.152 -2.728 -5.865) 6.470 8.195 ( 1.132 -7.369 -0.597) 7.479 8.236 ( -2.424 2.797 -2.070) 4.241 8.262 ( 10.864 -2.567 -7.663) 13.540 8.407 ( 1.705 -0.974 -3.899) 4.365 8.452 ( -5.252 -3.148 3.632) 7.119 8.907 ( -0.692 -4.993 9.098) 10.401 9.364 ( -2.503 -9.602 -1.708) 10.069 9.475 ( 0.447 9.354 -3.229) 9.906 9.674 ( -0.411 6.519 0.816) 6.583 9.915 ( -2.113 -4.317 -2.702) 5.514 10.022 ( -4.534 -3.426 -2.949) 6.403 10.099 ( -1.162 2.959 2.677) 4.156 10.264 ( -0.507 2.992 3.445) 4.591 10.396 ( -2.589 2.137 4.395) 5.531 10.502 ( -1.618 -2.833 1.347) 3.530 10.690 ( 4.005 -1.798 -0.490) 4.417 10.816 ( 1.902 -1.439 -4.576) 5.160 11.005 ( 1.513 4.404 -4.938) 6.788 11.305 ( -2.865 0.585 2.320) 3.733 11.446 ( 2.891 0.272 6.656) 7.262 11.466 ( -2.794 5.019 7.206) 9.215 11.673 ( 0.756 5.092 2.019) 5.529 11.811 ( 1.279 1.495 4.361) 4.784 11.964 ( 2.922 -0.450 -0.283) 2.970 12.035 ( 0.487 -2.808 -1.954) 3.456 12.205 ( 2.920 -6.760 0.312) 7.370 12.649 ( -7.357 3.640 1.973) 8.442 12.683 ( -2.664 2.340 -1.653) 3.912 12.829 ( 5.664 -3.188 0.485) 6.518 12.963 ( -3.730 1.456 -0.783) 4.080 13.351 ( -0.972 3.093 -2.368) 4.015 13.586 ( -4.798 -5.288 2.577) 7.592 13.823 ( 3.392 1.492 -1.387) 3.957 13.999 ( -2.517 0.171 0.296) 2.540 14.093 ( 8.199 -5.362 -0.088) 9.797 14.284 ( -5.449 5.130 -0.018) 7.484 14.648 ( -6.801 -1.421 1.057) 7.028 14.980 ( 0.639 2.664 -4.556) 5.316 15.310 ( 7.165 -2.126 -10.357) 12.772 15.414 ( 11.508 -2.218 -10.877) 15.989 18.607 ( -9.376 0.756 9.944) 13.688 18.759 ( 7.610 10.577 -0.463) 13.038 19.084 ( -1.701 -7.103 9.975) 12.363 19.608 ( -11.954 -3.241 6.015) 13.769 20.032 ( 11.416 -5.116 -9.567) 15.749 20.514 ( -4.236 5.250 -3.368) 7.540 ======================= Grid point 118 (61/116) ======================= q-point: (-0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 4.824 -4.129 -7.567) 9.878 1.946 ( -6.801 17.248 2.787) 18.749 2.078 ( 8.191 2.072 -11.267) 14.083 2.302 ( -0.729 10.392 14.192) 17.605 2.646 ( 2.660 9.312 -3.341) 10.245 2.710 ( 9.296 -12.511 -1.650) 15.673 3.110 ( -7.204 6.160 -2.007) 9.689 3.173 ( 0.419 -2.836 -3.856) 4.805 3.254 ( 4.295 -4.082 2.524) 6.440 3.610 ( -7.761 -5.147 2.778) 9.718 3.862 ( -1.397 6.948 5.769) 9.138 3.914 ( 3.541 5.688 12.181) 13.903 3.937 ( -2.288 -0.386 5.609) 6.070 4.102 ( -10.750 -0.008 3.643) 11.350 4.271 ( 4.182 0.672 -4.563) 6.225 4.449 ( 7.806 -0.330 1.544) 7.964 4.578 ( -5.147 4.290 0.488) 6.719 4.631 ( -6.821 -0.097 3.474) 7.655 4.836 ( 0.487 -1.995 0.652) 2.155 4.984 ( 0.568 -3.406 -0.528) 3.493 5.036 ( -3.019 5.666 -4.227) 7.687 5.228 ( -1.987 8.659 -2.993) 9.375 5.285 ( -3.392 -10.637 -0.027) 11.165 5.365 ( -0.207 2.921 -0.760) 3.025 5.645 ( -1.254 -10.615 7.744) 13.199 5.807 ( 3.930 -0.054 2.610) 4.718 5.992 ( -3.067 -1.291 -3.759) 5.020 6.115 ( 5.528 2.691 -0.320) 6.157 6.143 ( 3.607 0.599 -0.700) 3.723 6.267 ( 7.954 4.171 -8.846) 12.606 6.357 ( -5.620 -0.102 2.650) 6.214 6.457 ( 4.549 3.757 3.803) 7.019 6.556 ( -10.301 -1.350 8.409) 13.366 6.675 ( 6.723 -1.022 -8.098) 10.574 6.804 ( -8.275 2.971 1.360) 8.896 6.864 ( 1.442 -0.833 -2.700) 3.172 6.924 ( -2.300 1.937 0.306) 3.023 7.149 ( 6.305 -2.745 1.749) 7.096 7.331 ( 4.519 2.945 5.697) 7.845 7.401 ( 3.723 -3.031 -7.445) 8.859 7.510 ( 3.721 -1.657 -4.837) 6.324 7.683 ( -2.953 -4.849 0.053) 5.678 7.872 ( -6.114 -1.374 -3.927) 7.396 8.073 ( 1.042 -2.727 -1.783) 3.421 8.183 ( 3.050 -1.175 -0.860) 3.380 8.229 ( 2.675 -0.412 -5.128) 5.798 8.400 ( 1.393 -1.740 -3.922) 4.511 8.463 ( 9.961 -8.672 -5.555) 14.328 8.494 ( -1.775 -4.636 4.348) 6.599 9.024 ( -2.071 -2.789 7.441) 8.212 9.314 ( -3.876 5.503 0.020) 6.731 9.421 ( -0.719 -3.271 -4.773) 5.831 9.543 ( -3.555 7.304 -0.934) 8.176 9.927 ( -5.038 1.291 1.090) 5.314 9.957 ( -1.496 -2.381 -5.677) 6.335 10.074 ( -0.898 0.885 2.607) 2.896 10.264 ( 1.966 2.695 5.006) 6.016 10.373 ( -1.992 1.996 3.911) 4.821 10.517 ( 2.547 -0.237 -2.138) 3.334 10.786 ( -1.528 -0.605 -4.828) 5.100 10.845 ( 2.497 -7.562 3.173) 8.573 10.924 ( 2.191 3.793 -1.733) 4.711 11.255 ( -2.849 3.184 1.090) 4.409 11.372 ( -7.883 5.501 8.095) 12.567 11.525 ( 0.473 1.010 6.346) 6.443 11.603 ( -0.966 6.282 1.820) 6.611 11.819 ( 1.264 3.200 1.449) 3.733 11.992 ( 5.761 2.980 -1.859) 6.748 12.087 ( 0.016 -4.664 -1.629) 4.940 12.310 ( 2.435 -2.211 -0.650) 3.352 12.495 ( -7.043 4.324 -1.702) 8.438 12.601 ( -3.022 2.336 0.270) 3.829 12.880 ( 0.282 0.903 0.405) 1.029 13.052 ( 3.672 -9.878 6.931) 12.613 13.300 ( 1.309 2.058 -2.542) 3.523 13.621 ( -4.483 -6.521 0.240) 7.917 13.820 ( 2.045 4.697 4.357) 6.725 14.020 ( 0.445 -2.820 -1.322) 3.146 14.132 ( -3.786 3.946 2.270) 5.921 14.331 ( 8.268 -7.885 -1.990) 11.597 14.600 ( -2.195 -1.243 -0.330) 2.544 14.919 ( 1.061 0.737 -5.373) 5.526 15.321 ( 5.326 -1.000 -9.089) 10.582 15.484 ( 10.192 -1.621 -10.897) 15.008 18.536 ( -8.296 2.822 5.891) 10.559 18.743 ( 6.876 6.354 3.456) 9.979 19.197 ( -3.686 0.482 8.396) 9.182 19.553 ( -14.602 -6.168 4.360) 16.440 20.128 ( 9.015 1.474 -6.837) 11.410 20.360 ( -3.607 0.913 -5.170) 6.369 ======================= Grid point 119 (62/116) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -2.448 -1.821 7.048) 7.680 1.777 ( -0.822 1.100 5.067) 5.249 2.175 ( 11.715 -7.366 -9.453) 16.759 2.304 ( 4.337 11.746 15.978) 20.300 2.646 ( 5.931 -3.163 0.212) 6.725 2.932 ( -0.450 -4.565 2.947) 5.452 3.066 ( 3.656 -9.626 -0.976) 10.343 3.215 ( -1.402 -6.642 -4.830) 8.331 3.388 ( 4.421 -0.586 6.909) 8.224 3.554 ( -4.003 19.705 3.487) 20.408 3.605 ( -9.467 -2.622 0.744) 9.852 3.910 ( -9.493 0.556 0.683) 9.534 3.997 ( 4.363 6.130 6.528) 9.961 4.123 ( -4.538 -4.064 -0.685) 6.131 4.303 ( 2.515 -2.139 7.212) 7.932 4.409 ( -9.083 5.725 3.359) 11.250 4.524 ( 6.351 0.351 -6.470) 9.073 4.623 ( -3.535 7.832 6.580) 10.823 4.757 ( -4.389 -7.274 1.241) 8.586 4.954 ( 3.360 4.022 -5.342) 7.483 4.987 ( -0.813 7.644 -0.402) 7.698 5.155 ( 5.495 -0.652 -3.681) 6.646 5.245 ( 3.057 2.271 -6.658) 7.670 5.428 ( -7.232 -11.609 1.577) 13.769 5.800 ( 3.238 -0.356 1.485) 3.580 5.852 ( -1.390 3.242 1.093) 3.693 5.970 ( -2.709 -8.494 0.248) 8.919 5.990 ( -2.674 11.997 -2.915) 12.632 6.117 ( -2.861 0.620 -2.892) 4.115 6.160 ( 0.695 9.709 -3.148) 10.230 6.335 ( 2.358 -1.446 1.949) 3.384 6.473 ( -8.653 1.527 6.238) 10.776 6.606 ( 6.019 -2.125 -0.856) 6.440 6.739 ( 7.828 0.331 2.270) 8.157 6.770 ( -0.907 -1.254 2.614) 3.038 6.877 ( -3.149 2.096 -0.954) 3.901 6.926 ( 1.262 -8.688 -3.403) 9.416 7.283 ( 2.737 4.139 6.400) 8.098 7.337 ( 4.933 -6.231 0.205) 7.950 7.483 ( 5.151 -2.886 -5.541) 8.097 7.568 ( 1.922 -6.069 -4.655) 7.887 7.715 ( -3.579 -5.905 -0.601) 6.931 7.797 ( -0.255 0.315 -4.997) 5.013 8.073 ( -4.474 -4.555 -0.223) 6.389 8.204 ( 1.262 0.164 -4.419) 4.599 8.275 ( 3.344 -3.439 -1.495) 5.024 8.382 ( -0.522 -0.661 -5.470) 5.535 8.586 ( 2.552 -1.202 6.291) 6.895 8.647 ( 1.597 -9.325 -5.493) 10.940 9.070 ( 2.144 1.188 2.311) 3.369 9.231 ( -2.704 4.900 5.509) 7.853 9.363 ( -5.323 2.940 -5.976) 8.526 9.400 ( 1.018 1.040 -2.857) 3.206 9.805 ( -5.760 7.002 4.336) 10.050 9.944 ( 3.281 -1.987 -7.005) 7.987 10.114 ( -0.898 -1.694 6.749) 7.016 10.298 ( 4.654 3.665 0.328) 5.933 10.372 ( -1.794 -0.842 3.968) 4.435 10.549 ( 2.745 -1.178 0.017) 2.987 10.698 ( -3.875 0.460 -5.464) 6.714 10.855 ( -3.487 2.132 2.211) 4.647 11.042 ( 6.191 -3.032 1.815) 7.129 11.180 ( -3.923 2.992 2.874) 5.710 11.302 ( -4.587 1.573 5.715) 7.495 11.520 ( -1.350 5.405 2.549) 6.126 11.547 ( -0.070 2.488 5.213) 5.776 11.770 ( 1.307 4.740 -2.274) 5.417 11.977 ( 4.469 4.854 -1.923) 6.873 12.130 ( -2.944 -3.636 -3.908) 6.096 12.237 ( -2.363 3.712 -3.400) 5.561 12.427 ( -0.941 1.775 4.426) 4.860 12.564 ( 0.991 1.276 0.279) 1.639 12.893 ( 1.151 0.266 1.970) 2.296 13.229 ( -3.036 -1.787 -2.669) 4.420 13.350 ( 2.851 -7.218 6.307) 10.000 13.674 ( -0.696 -5.827 -2.065) 6.221 13.856 ( 0.630 -4.081 4.887) 6.398 13.997 ( -3.316 -0.319 1.126) 3.516 14.114 ( -1.448 0.734 1.890) 2.491 14.459 ( 1.124 -4.306 -0.676) 4.501 14.685 ( 8.852 -5.394 -2.467) 10.655 14.902 ( 2.281 -2.569 -5.597) 6.568 15.309 ( 4.457 -0.068 -8.595) 9.683 15.495 ( 7.102 2.531 -9.682) 12.272 18.460 ( -5.593 2.420 5.372) 8.124 18.757 ( 3.621 4.572 -0.460) 5.850 19.096 ( -9.001 9.166 7.999) 15.133 19.560 ( -8.788 -7.815 6.150) 13.271 20.042 ( 1.738 9.350 -3.938) 10.293 20.379 ( 3.582 -6.171 -3.606) 7.995 ======================= Grid point 123 (63/116) ======================= q-point: ( 0.43 0.43 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 6.761 0.000 -9.683) 11.810 2.120 ( 9.747 0.000 -11.628) 15.173 2.316 ( -1.803 -0.000 -0.282) 1.825 2.672 ( -1.746 -0.000 -19.441) 19.519 2.818 ( -11.529 -0.000 -4.685) 12.445 3.012 ( 1.823 0.000 -2.942) 3.461 3.175 ( -12.879 -0.000 5.293) 13.924 3.228 ( 2.570 0.000 -3.157) 4.071 3.393 ( 5.503 0.000 -7.267) 9.116 3.630 ( 5.966 0.000 5.518) 8.126 3.668 ( -8.247 -0.000 -5.255) 9.779 3.864 ( 6.839 0.000 6.583) 9.493 3.880 ( -3.400 -0.000 6.269) 7.132 4.069 ( -0.921 -0.000 3.941) 4.047 4.245 ( 0.134 0.000 4.540) 4.542 4.356 ( 2.807 0.000 9.875) 10.266 4.542 ( -1.361 -0.000 7.845) 7.962 4.667 ( 9.074 0.000 -1.244) 9.159 4.819 ( -10.646 -0.000 2.511) 10.938 4.948 ( 13.874 0.000 -1.094) 13.917 5.010 ( 1.030 0.000 3.216) 3.377 5.194 ( -1.659 -0.000 -5.186) 5.445 5.341 ( -8.228 -0.000 7.792) 11.331 5.546 ( 1.799 0.000 -11.364) 11.506 5.650 ( -11.161 -0.000 9.005) 14.341 5.744 ( -0.015 -0.000 2.538) 2.538 5.929 ( 3.606 0.000 -3.212) 4.829 5.951 ( 6.858 0.000 -3.768) 7.825 6.039 ( -13.963 -0.000 6.292) 15.316 6.315 ( 10.484 0.000 -4.025) 11.230 6.363 ( -7.364 -0.000 12.597) 14.592 6.474 ( 6.833 0.000 -9.056) 11.345 6.602 ( 10.159 0.000 -5.371) 11.491 6.661 ( -1.603 -0.000 -2.767) 3.198 6.798 ( 1.477 0.000 1.377) 2.019 6.817 ( -8.754 -0.000 5.701) 10.446 6.903 ( 8.274 0.000 -0.503) 8.289 7.208 ( 5.090 0.000 -5.943) 7.824 7.426 ( 8.464 0.000 -0.431) 8.475 7.449 ( -14.184 -0.000 1.520) 14.265 7.602 ( -6.775 -0.000 -5.906) 8.988 7.761 ( -1.900 -0.000 -1.333) 2.321 7.901 ( 11.384 0.000 -1.871) 11.537 7.948 ( -6.528 -0.000 -4.084) 7.700 8.106 ( -4.209 -0.000 0.138) 4.211 8.143 ( 4.600 0.000 -8.127) 9.339 8.292 ( 3.820 0.000 -2.136) 4.376 8.397 ( -3.139 -0.000 2.118) 3.787 8.448 ( 0.754 0.000 1.989) 2.127 8.804 ( 2.451 0.000 7.491) 7.882 9.183 ( -4.795 -0.000 2.425) 5.374 9.652 ( 2.311 0.000 -5.060) 5.563 9.789 ( 2.660 0.000 -1.346) 2.982 9.846 ( -2.846 -0.000 -5.942) 6.588 9.924 ( -5.670 -0.000 0.787) 5.724 10.135 ( -1.130 -0.000 5.006) 5.132 10.318 ( 1.248 0.000 1.688) 2.099 10.418 ( -3.912 -0.000 5.061) 6.397 10.424 ( -4.000 -0.000 4.648) 6.132 10.694 ( 0.928 0.000 -3.937) 4.045 10.780 ( 1.250 0.000 -6.079) 6.207 11.079 ( 1.424 0.000 -6.640) 6.791 11.314 ( -0.656 -0.000 3.465) 3.527 11.437 ( 1.642 0.000 6.889) 7.082 11.606 ( 7.589 0.000 6.635) 10.080 11.749 ( 1.076 0.000 2.149) 2.403 11.856 ( -0.052 -0.000 3.276) 3.277 11.886 ( -0.336 -0.000 1.059) 1.111 12.030 ( 3.796 0.000 3.482) 5.151 12.052 ( 0.111 0.000 -0.819) 0.827 12.694 ( -1.583 -0.000 2.382) 2.860 12.754 ( -5.520 -0.000 0.941) 5.600 12.769 ( 2.478 0.000 -2.580) 3.577 12.979 ( -5.180 -0.000 -5.210) 7.347 13.407 ( -3.389 -0.000 -2.252) 4.069 13.500 ( -4.062 -0.000 2.530) 4.786 13.759 ( 10.623 0.000 -8.276) 13.466 14.002 ( 0.559 0.000 1.373) 1.482 14.115 ( -5.315 -0.000 3.032) 6.119 14.382 ( -3.313 -0.000 -3.530) 4.841 14.563 ( -9.229 -0.000 5.209) 10.597 15.072 ( -2.408 -0.000 0.367) 2.436 15.227 ( 13.111 0.000 -15.892) 20.602 15.411 ( 11.481 0.000 -10.507) 15.564 18.669 ( -10.881 -0.000 13.164) 17.079 18.852 ( -2.448 -0.000 4.295) 4.944 19.001 ( 11.109 0.000 3.849) 11.757 19.572 ( -11.691 -0.000 6.713) 13.481 19.917 ( 10.774 0.000 -10.437) 15.001 20.603 ( -4.113 -0.000 -3.181) 5.200 ======================= Grid point 124 (64/116) ======================= q-point: (-0.43 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 8.909 -0.158 -9.591) 13.091 2.149 ( 13.663 4.741 -9.364) 17.229 2.376 ( -0.163 -3.328 0.213) 3.339 2.435 ( -2.694 4.744 -12.078) 13.253 2.570 ( -6.850 5.938 -2.616) 9.436 2.965 ( -0.794 3.348 -13.525) 13.955 3.065 ( -7.504 0.628 4.397) 8.720 3.201 ( 3.304 4.972 4.201) 7.299 3.279 ( -4.732 2.980 -12.096) 13.326 3.552 ( -6.846 -3.906 -0.003) 7.882 3.804 ( 4.569 -0.487 5.824) 7.419 3.891 ( -5.337 -6.006 4.824) 9.372 3.985 ( -3.496 3.106 10.268) 11.283 4.102 ( 10.054 -2.558 -0.521) 10.388 4.318 ( -2.657 3.796 6.041) 7.614 4.510 ( 1.572 -3.511 3.157) 4.976 4.547 ( 2.258 2.861 1.434) 3.916 4.657 ( -9.760 -3.795 6.524) 12.338 4.809 ( 2.768 -5.396 3.111) 6.816 4.955 ( -1.117 10.233 -2.297) 10.547 5.108 ( -0.466 4.143 0.644) 4.218 5.223 ( 7.234 -0.591 -9.526) 11.976 5.246 ( -2.933 -5.669 7.207) 9.628 5.509 ( 1.141 2.243 -0.264) 2.530 5.567 ( -5.167 3.849 8.921) 11.004 5.754 ( -7.525 -1.495 4.708) 9.001 5.936 ( -0.501 -2.320 -7.304) 7.680 5.991 ( 3.559 -5.026 -1.059) 6.249 6.066 ( -1.600 -8.925 1.092) 9.133 6.239 ( 2.673 8.016 0.635) 8.474 6.470 ( 0.416 1.821 -3.518) 3.984 6.490 ( 2.477 -2.802 5.597) 6.731 6.628 ( 1.262 -1.804 -5.619) 6.035 6.679 ( 1.615 0.308 -1.997) 2.587 6.704 ( -8.699 -0.378 4.578) 9.837 6.872 ( 7.198 2.848 1.545) 7.893 7.072 ( 7.561 -4.446 -0.741) 8.802 7.157 ( -5.033 5.335 -4.301) 8.503 7.280 ( 5.759 1.848 -5.286) 8.033 7.451 ( -2.385 1.355 -0.748) 2.843 7.574 ( 2.441 -0.786 0.253) 2.577 7.659 ( -0.473 4.863 -3.002) 5.735 7.832 ( -6.581 0.315 -2.064) 6.904 8.032 ( 4.956 -0.416 -1.232) 5.124 8.094 ( -0.430 -3.794 -3.694) 5.313 8.157 ( 4.327 -5.116 -3.787) 7.697 8.356 ( 12.073 0.769 -6.188) 13.588 8.396 ( 2.811 0.434 -3.353) 4.397 8.441 ( -3.972 1.362 6.976) 8.142 8.916 ( -0.456 -3.411 7.236) 8.012 9.177 ( -7.156 -5.629 1.403) 9.212 9.554 ( -3.212 4.928 -2.182) 6.274 9.735 ( -2.310 3.476 -2.375) 4.802 9.826 ( 3.971 -1.319 -4.492) 6.139 9.952 ( 1.568 -1.929 2.181) 3.307 10.133 ( -3.495 1.554 2.810) 4.746 10.327 ( -0.713 0.922 3.229) 3.433 10.413 ( -1.867 0.487 3.397) 3.906 10.452 ( -2.570 -3.189 3.397) 5.321 10.681 ( 0.137 -1.222 -1.872) 2.240 10.738 ( -1.514 -2.028 -5.090) 5.684 10.998 ( -0.243 1.031 -8.461) 8.527 11.342 ( 0.173 1.857 4.500) 4.872 11.516 ( 0.493 -0.190 6.412) 6.434 11.597 ( -4.197 8.929 4.183) 10.716 11.765 ( -0.697 2.273 3.838) 4.514 11.885 ( -0.498 0.664 2.830) 2.949 11.935 ( 0.152 -5.413 3.534) 6.467 12.046 ( 6.039 1.139 -2.842) 6.771 12.198 ( 5.405 -3.804 5.806) 8.797 12.626 ( -6.399 5.221 -1.735) 8.439 12.674 ( -3.372 2.539 -0.389) 4.239 12.806 ( 1.663 -4.876 -2.847) 5.886 12.879 ( -5.123 -3.414 -1.405) 6.315 13.366 ( 0.473 1.824 -1.987) 2.738 13.480 ( -3.073 -2.496 -0.778) 4.035 13.847 ( 6.355 -3.714 -2.342) 7.725 14.013 ( -1.002 4.487 1.747) 4.918 14.137 ( 7.422 -4.175 1.164) 8.595 14.283 ( -2.267 3.691 -4.457) 6.216 14.525 ( -9.076 -3.589 3.828) 10.484 15.011 ( 0.397 4.824 -2.215) 5.323 15.274 ( 9.981 -3.463 -12.896) 16.671 15.450 ( 11.270 0.525 -10.669) 15.528 18.621 ( -8.905 4.001 11.396) 15.006 18.879 ( -1.873 -2.535 1.704) 3.583 19.160 ( 6.694 2.001 10.618) 12.711 19.477 ( -13.112 0.051 5.407) 14.184 19.986 ( 8.163 -5.976 -9.471) 13.858 20.482 ( -4.636 3.448 -5.601) 8.047 ======================= Grid point 125 (65/116) ======================= q-point: (-0.29 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 9.228 0.381 -9.730) 13.415 2.037 ( -15.076 9.145 0.184) 17.634 2.171 ( 11.613 7.353 -9.578) 16.753 2.442 ( 1.702 -3.182 3.767) 5.217 2.664 ( 4.464 -8.360 -9.696) 13.558 2.734 ( 2.234 4.655 -3.046) 5.995 3.024 ( -16.843 2.743 2.078) 17.191 3.121 ( 7.241 -1.640 -2.862) 7.957 3.232 ( 2.738 1.275 2.945) 4.219 3.570 ( 0.222 -2.918 -0.303) 2.942 3.860 ( -3.993 -7.179 -4.789) 9.508 3.893 ( -7.643 -0.025 9.013) 11.817 4.031 ( -8.140 -3.333 9.607) 13.025 4.080 ( -11.262 14.627 0.442) 18.465 4.292 ( 9.849 -2.923 -0.861) 10.309 4.485 ( 2.392 1.312 -3.917) 4.773 4.580 ( -4.987 0.246 2.930) 5.789 4.780 ( -6.555 -2.950 7.462) 10.361 4.787 ( 6.766 5.141 2.902) 8.979 4.934 ( -1.623 -3.083 2.556) 4.321 5.001 ( -1.642 5.759 -0.661) 6.024 5.214 ( 7.283 -0.275 -4.525) 8.579 5.329 ( -0.663 5.028 2.755) 5.771 5.471 ( 2.309 1.420 1.188) 2.959 5.569 ( -2.185 2.003 6.990) 7.593 5.791 ( -3.456 -6.254 4.324) 8.351 5.856 ( -4.025 -2.976 -8.257) 9.656 6.125 ( 2.541 -5.550 1.855) 6.380 6.185 ( 1.991 -1.994 -0.563) 2.873 6.260 ( -5.150 -5.360 5.432) 9.207 6.357 ( 1.070 5.920 -3.931) 7.186 6.508 ( -1.856 2.475 -2.091) 3.734 6.606 ( -7.817 0.026 7.092) 10.555 6.664 ( -4.335 -2.709 -5.844) 7.764 6.683 ( 7.814 0.041 -1.470) 7.951 6.926 ( 4.421 4.625 1.575) 6.589 6.969 ( 1.327 5.281 -2.668) 6.063 7.168 ( 6.052 -1.529 -2.061) 6.574 7.365 ( 6.094 -2.130 -6.526) 9.179 7.456 ( 0.265 -2.075 1.722) 2.709 7.541 ( 4.997 3.323 -5.127) 7.892 7.620 ( -1.067 2.159 2.853) 3.733 7.773 ( -0.170 -1.435 -2.084) 2.535 7.993 ( -4.756 -0.986 -2.284) 5.367 8.136 ( 3.542 -4.668 -7.041) 9.160 8.290 ( 8.617 0.757 0.658) 8.675 8.344 ( -0.236 0.268 -5.373) 5.385 8.446 ( 6.345 -2.008 -4.414) 7.985 8.531 ( 6.954 -3.257 5.532) 9.464 8.996 ( -4.416 -3.605 5.908) 8.210 9.162 ( -6.689 -5.163 -2.447) 8.797 9.460 ( -2.365 4.285 1.767) 5.204 9.634 ( -0.143 5.577 -0.220) 5.584 9.839 ( 1.880 -0.473 -5.021) 5.382 9.966 ( -2.602 3.491 3.423) 5.539 10.111 ( 1.119 0.737 3.033) 3.315 10.353 ( -1.992 -0.842 5.008) 5.455 10.407 ( -0.650 1.610 3.191) 3.633 10.494 ( 2.350 -1.906 -3.156) 4.372 10.651 ( -6.230 -3.182 -4.912) 8.547 10.766 ( -1.094 -5.814 1.643) 6.140 10.949 ( 2.252 -1.983 -4.534) 5.437 11.326 ( -0.502 4.937 3.686) 6.181 11.420 ( -8.739 6.802 5.328) 12.289 11.585 ( 0.419 -0.102 4.169) 4.191 11.703 ( -4.402 5.968 4.684) 8.771 11.907 ( 2.659 2.877 1.368) 4.150 11.993 ( -1.402 -4.445 -0.673) 4.709 12.098 ( 4.972 2.530 -0.958) 5.660 12.329 ( 3.944 0.545 0.384) 4.000 12.424 ( -8.316 1.660 -1.880) 8.686 12.619 ( -0.177 2.196 0.707) 2.314 12.854 ( -1.942 -4.168 0.455) 4.621 12.973 ( 0.125 -9.371 4.087) 10.224 13.304 ( -1.098 2.022 -3.267) 3.996 13.507 ( 0.945 -4.932 -2.266) 5.509 13.936 ( -1.256 5.510 2.345) 6.119 13.969 ( 3.336 -4.497 0.173) 5.602 14.155 ( -2.110 4.356 -2.835) 5.610 14.340 ( 8.752 -4.341 -0.148) 9.770 14.517 ( -3.038 -5.683 0.299) 6.451 14.920 ( 1.168 4.450 -4.210) 6.236 15.316 ( 8.974 -0.754 -11.071) 14.271 15.490 ( 9.895 -1.043 -10.291) 14.314 18.545 ( -8.519 4.558 9.177) 13.325 18.897 ( 2.634 1.629 -0.006) 3.097 19.314 ( 1.479 0.342 16.391) 16.462 19.331 ( -15.665 0.523 2.960) 15.951 20.118 ( 6.272 -9.401 -6.418) 12.996 20.307 ( -2.534 6.117 -6.993) 9.630 ======================= Grid point 126 (66/116) ======================= q-point: (-0.14 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 5.687 -0.344 -7.944) 9.776 1.832 ( -8.521 0.869 8.446) 12.029 2.191 ( 8.919 0.335 -4.880) 10.172 2.543 ( -2.119 -4.652 -11.545) 12.626 2.642 ( 8.248 -3.500 9.398) 12.984 2.820 ( -20.473 -4.759 7.511) 22.320 2.947 ( 12.690 -7.306 -7.255) 16.342 3.135 ( 7.826 5.359 -7.472) 12.075 3.327 ( -4.972 -6.145 7.277) 10.744 3.614 ( -4.697 4.776 4.678) 8.170 3.674 ( -9.037 7.204 -4.080) 12.256 3.833 ( -6.759 0.009 5.043) 8.433 3.942 ( -2.154 -9.674 -5.070) 11.132 4.084 ( -7.267 -5.653 5.180) 10.564 4.311 ( -4.292 2.137 -0.036) 4.795 4.484 ( 7.731 4.152 1.154) 8.851 4.551 ( -3.012 2.197 2.653) 4.576 4.771 ( 3.273 6.018 5.735) 8.934 4.828 ( 1.461 9.652 5.351) 11.133 4.855 ( -7.561 -7.984 -0.661) 11.016 5.011 ( 2.600 0.282 -3.047) 4.016 5.254 ( 4.732 7.376 -2.476) 9.107 5.305 ( 7.596 5.834 1.470) 9.690 5.403 ( 5.185 1.777 -1.114) 5.593 5.692 ( -7.530 -10.699 8.109) 15.393 5.766 ( -6.969 -3.008 -1.360) 7.712 5.917 ( -0.890 -6.036 0.565) 6.127 6.037 ( -6.580 9.183 0.036) 11.297 6.150 ( -0.642 7.122 -3.430) 7.931 6.235 ( -4.480 4.155 -0.007) 6.110 6.340 ( 2.806 -1.801 -1.189) 3.540 6.514 ( 3.157 -0.534 3.965) 5.096 6.611 ( -4.185 -4.357 2.256) 6.449 6.646 ( -3.692 -5.982 -0.070) 7.030 6.782 ( 5.986 -3.750 -3.233) 7.768 6.858 ( 3.269 1.947 -6.244) 7.312 6.930 ( 0.238 5.343 1.853) 5.660 7.307 ( 3.919 -2.816 -2.016) 5.230 7.381 ( 6.533 -3.627 0.448) 7.486 7.442 ( -2.636 1.411 -7.314) 7.901 7.524 ( 1.523 -2.075 0.181) 2.580 7.667 ( 6.453 0.221 -0.741) 6.500 7.793 ( 2.087 1.187 -0.778) 2.524 7.972 ( -1.770 -3.592 0.417) 4.026 8.157 ( 1.964 -1.607 -5.698) 6.237 8.282 ( -0.653 -1.538 -7.664) 7.844 8.349 ( 5.914 4.462 1.107) 7.491 8.509 ( 1.493 -4.310 -4.796) 6.618 8.697 ( 3.017 1.212 6.987) 7.706 9.054 ( -0.957 -6.553 3.084) 7.305 9.163 ( -1.389 -7.178 -5.769) 9.313 9.352 ( -4.454 7.263 3.505) 9.213 9.561 ( 4.548 10.597 1.281) 11.603 9.825 ( -1.338 -2.275 -0.247) 2.651 9.928 ( 0.899 1.636 1.723) 2.540 10.149 ( -1.444 0.632 6.391) 6.583 10.366 ( -1.584 -0.393 1.268) 2.066 10.434 ( 4.624 2.960 3.092) 6.301 10.497 ( -3.050 -5.058 -5.738) 8.235 10.589 ( -2.412 -0.986 -1.624) 3.070 10.813 ( -2.689 -2.540 -0.632) 3.753 11.029 ( 0.977 -5.818 0.671) 5.937 11.257 ( -2.264 6.027 3.724) 7.438 11.311 ( -4.397 2.199 3.456) 6.009 11.596 ( -2.905 4.517 2.877) 6.092 11.618 ( -2.388 1.676 5.660) 6.368 11.858 ( 1.646 5.645 -3.164) 6.678 12.025 ( -2.415 -1.027 -1.633) 3.091 12.076 ( 2.840 4.164 -1.407) 5.233 12.215 ( -0.866 0.716 -3.994) 4.149 12.483 ( 0.862 -1.931 6.221) 6.570 12.595 ( 1.207 2.700 0.340) 2.977 12.902 ( -1.071 -2.994 2.377) 3.970 13.089 ( -5.791 -4.830 -1.864) 7.768 13.311 ( -0.231 -6.845 4.003) 7.933 13.569 ( 1.544 -4.966 -6.053) 7.980 13.884 ( 0.408 3.327 2.205) 4.012 13.979 ( -1.616 1.971 -0.092) 2.550 14.125 ( -0.362 -0.906 1.453) 1.750 14.385 ( -4.218 -2.009 1.319) 4.855 14.688 ( 11.915 -8.358 -4.762) 15.314 14.852 ( 0.787 0.756 -4.657) 4.783 15.323 ( 9.165 1.457 -10.453) 13.978 15.519 ( 6.933 0.421 -8.874) 11.269 18.451 ( -7.830 2.839 5.426) 9.941 18.899 ( 5.173 5.278 0.319) 7.397 19.131 ( -14.677 3.806 4.654) 15.861 19.491 ( -1.181 -2.687 16.775) 17.030 20.134 ( -0.430 5.942 -7.057) 9.235 20.287 ( 6.512 -8.373 -3.247) 11.093 ======================= Grid point 131 (67/116) ======================= q-point: (-0.43 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 10.878 0.000 -9.261) 14.286 2.208 ( -5.642 -0.000 -9.540) 11.084 2.328 ( -11.051 -0.000 -8.192) 13.756 2.373 ( 15.174 0.000 -15.559) 21.733 2.446 ( -4.126 -0.000 7.138) 8.245 2.897 ( 1.379 0.000 -13.139) 13.211 3.016 ( -3.241 -0.000 8.937) 9.506 3.239 ( -9.692 -0.000 -8.880) 13.145 3.306 ( 2.830 0.000 -9.488) 9.901 3.357 ( 5.751 0.000 4.272) 7.164 3.775 ( -9.120 -0.000 -1.052) 9.180 3.883 ( -12.911 -0.000 14.146) 19.153 4.000 ( -12.538 -0.000 8.670) 15.244 4.221 ( 15.935 0.000 -4.203) 16.480 4.389 ( 5.365 0.000 1.425) 5.551 4.493 ( -9.521 -0.000 5.918) 11.211 4.574 ( -6.514 -0.000 11.175) 12.935 4.651 ( -0.335 -0.000 0.195) 0.387 4.739 ( -2.764 -0.000 7.668) 8.151 5.046 ( 2.228 0.000 -8.131) 8.431 5.116 ( -1.917 -0.000 2.737) 3.341 5.278 ( 13.529 0.000 1.107) 13.575 5.317 ( 1.743 0.000 -0.375) 1.783 5.474 ( 4.333 0.000 -5.528) 7.024 5.598 ( -5.641 -0.000 5.414) 7.819 5.761 ( 0.460 0.000 2.338) 2.383 5.846 ( -8.214 -0.000 6.627) 10.554 5.906 ( -0.568 -0.000 -1.928) 2.010 6.036 ( 6.059 0.000 -4.339) 7.453 6.309 ( -9.709 -0.000 0.649) 9.731 6.444 ( -2.881 -0.000 1.883) 3.442 6.472 ( 6.769 0.000 -6.320) 9.261 6.580 ( -2.452 -0.000 2.091) 3.223 6.590 ( -9.507 -0.000 5.389) 10.928 6.789 ( 7.233 0.000 -1.964) 7.495 7.010 ( -5.858 -0.000 -5.467) 8.013 7.094 ( 12.434 0.000 1.634) 12.541 7.179 ( 8.659 0.000 -1.754) 8.835 7.242 ( 0.635 0.000 -6.051) 6.084 7.487 ( -0.203 -0.000 5.018) 5.022 7.593 ( 4.520 0.000 -3.276) 5.583 7.635 ( -1.950 -0.000 -3.443) 3.957 7.816 ( -0.284 -0.000 2.768) 2.782 7.968 ( -6.211 -0.000 -3.244) 7.007 8.040 ( 4.901 0.000 -8.021) 9.400 8.235 ( 15.512 0.000 -2.381) 15.694 8.399 ( 2.319 0.000 -7.740) 8.081 8.456 ( 12.324 0.000 -6.425) 13.898 8.468 ( -3.337 -0.000 8.712) 9.329 8.930 ( 0.865 0.000 1.580) 1.801 9.076 ( -10.473 -0.000 8.251) 13.333 9.515 ( -3.838 -0.000 -0.986) 3.962 9.689 ( -4.461 -0.000 -1.126) 4.601 9.884 ( 8.317 0.000 -2.331) 8.637 10.036 ( 6.169 0.000 5.165) 8.046 10.105 ( -5.297 -0.000 1.953) 5.646 10.324 ( -2.986 -0.000 -0.105) 2.988 10.408 ( -1.897 -0.000 2.010) 2.764 10.432 ( -2.298 -0.000 3.685) 4.343 10.649 ( -2.866 -0.000 -1.462) 3.217 10.665 ( -1.689 -0.000 -1.178) 2.059 10.899 ( -0.361 -0.000 -10.805) 10.811 11.411 ( 0.344 0.000 5.272) 5.283 11.564 ( -0.929 -0.000 5.808) 5.882 11.660 ( -6.985 -0.000 -1.458) 7.136 11.685 ( -9.162 -0.000 4.289) 10.116 11.930 ( -1.532 -0.000 4.820) 5.058 11.949 ( 3.130 0.000 5.693) 6.497 12.110 ( 4.595 0.000 -1.924) 4.982 12.292 ( 1.599 0.000 7.619) 7.785 12.618 ( -3.876 -0.000 -12.210) 12.811 12.657 ( 0.942 0.000 -2.440) 2.615 12.659 ( -5.042 -0.000 4.655) 6.863 12.830 ( 2.004 0.000 0.761) 2.144 13.367 ( 1.143 0.000 -4.452) 4.596 13.423 ( -1.143 -0.000 -2.518) 2.766 13.860 ( 2.018 0.000 1.766) 2.682 14.101 ( -0.229 -0.000 0.625) 0.665 14.177 ( 11.557 0.000 -1.279) 11.628 14.259 ( 1.905 0.000 -6.157) 6.445 14.424 ( -9.099 -0.000 4.984) 10.374 15.060 ( 1.136 0.000 -0.083) 1.139 15.238 ( 10.091 0.000 -14.542) 17.701 15.494 ( 10.490 0.000 -10.780) 15.042 18.700 ( -6.131 -0.000 16.188) 17.310 18.795 ( -6.221 -0.000 1.589) 6.421 19.283 ( -4.288 -0.000 1.123) 4.433 19.460 ( -1.528 -0.000 14.936) 15.014 19.912 ( 2.333 0.000 -8.914) 9.214 20.407 ( -1.794 -0.000 -7.686) 7.893 ======================= Grid point 132 (68/116) ======================= q-point: (-0.29 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 9.155 -0.569 -8.019) 12.184 1.884 ( -22.193 6.178 -1.288) 23.073 2.207 ( -11.022 -9.901 -6.757) 16.284 2.394 ( 13.190 5.123 -9.594) 17.096 2.528 ( 6.087 -1.961 -4.726) 7.952 2.782 ( -1.664 2.597 -3.611) 4.749 3.016 ( 2.915 5.802 -5.159) 8.293 3.128 ( -0.508 -1.910 7.251) 7.516 3.356 ( 1.407 -3.175 -5.329) 6.361 3.438 ( 4.010 -6.177 -1.871) 7.598 3.658 ( -20.837 -3.167 3.836) 21.423 3.730 ( -21.251 -7.465 6.716) 23.504 3.916 ( -8.853 4.100 5.612) 11.255 4.232 ( -5.094 16.269 5.359) 17.870 4.385 ( 5.820 4.685 -4.204) 8.573 4.505 ( 3.537 -5.014 -0.106) 6.137 4.592 ( -2.070 0.617 5.534) 5.940 4.708 ( 3.457 -4.025 6.159) 8.129 4.860 ( -3.617 -7.576 6.173) 10.421 4.976 ( 5.398 5.728 -4.696) 9.166 5.134 ( -1.736 4.197 3.549) 5.764 5.224 ( 2.781 1.406 -1.300) 3.377 5.445 ( 11.235 3.939 -4.750) 12.818 5.531 ( 2.458 -2.217 0.829) 3.412 5.574 ( -1.867 -4.191 -3.308) 5.656 5.718 ( -4.119 1.203 3.295) 5.410 5.798 ( -3.724 8.014 3.348) 9.450 6.000 ( -2.768 -13.300 3.354) 13.993 6.114 ( 2.007 -4.896 -2.281) 5.762 6.248 ( -2.695 -0.912 3.735) 4.695 6.367 ( -8.127 1.508 3.475) 8.966 6.500 ( 4.742 3.232 -5.292) 7.806 6.537 ( -7.202 -1.964 4.160) 8.546 6.571 ( 1.557 -0.439 -4.036) 4.348 6.805 ( 4.920 4.770 -1.647) 7.048 6.898 ( -4.348 -2.650 -6.695) 8.411 7.099 ( 1.952 5.800 -1.117) 6.221 7.251 ( 6.315 0.009 -1.722) 6.546 7.332 ( 3.717 -3.116 0.681) 4.898 7.479 ( 3.880 4.753 -1.201) 6.252 7.590 ( 2.017 3.983 -2.827) 5.284 7.669 ( 3.877 -3.730 1.918) 5.712 7.831 ( 2.860 2.996 4.459) 6.086 7.899 ( -2.853 -2.114 -2.398) 4.285 8.066 ( 8.546 -2.919 -10.154) 13.588 8.299 ( -0.652 2.652 -8.580) 9.004 8.403 ( 10.070 -1.427 -3.098) 10.632 8.533 ( 10.647 3.329 -1.657) 11.278 8.578 ( 5.110 -6.183 3.457) 8.734 8.955 ( -0.135 -0.617 0.368) 0.731 9.033 ( -9.926 -2.048 6.831) 12.222 9.480 ( -2.327 1.328 2.442) 3.624 9.636 ( -3.088 -1.212 0.929) 3.445 9.924 ( 6.813 6.060 -2.823) 9.546 10.018 ( -4.291 3.640 3.529) 6.642 10.165 ( -0.621 -1.352 7.155) 7.308 10.305 ( 0.180 -1.826 -0.852) 2.023 10.391 ( -3.903 -0.162 0.225) 3.913 10.480 ( 0.023 -6.443 -1.063) 6.530 10.558 ( -3.012 4.334 1.523) 5.493 10.688 ( -0.794 -3.974 -0.236) 4.060 10.854 ( 0.912 -4.702 -6.794) 8.313 11.421 ( -2.167 3.698 4.437) 6.168 11.452 ( -7.332 7.826 1.815) 10.876 11.609 ( -2.543 -1.234 6.138) 6.757 11.667 ( -9.780 -3.342 1.802) 10.491 11.944 ( 0.630 -0.000 3.829) 3.880 12.004 ( -0.100 3.802 0.147) 3.806 12.119 ( -1.202 -2.400 -0.064) 2.685 12.312 ( -7.981 -0.598 -1.733) 8.189 12.432 ( 2.888 6.375 -0.590) 7.024 12.691 ( 5.955 1.839 1.410) 6.390 12.726 ( -2.529 -7.825 -0.090) 8.224 12.909 ( 2.522 -4.790 1.217) 5.549 13.287 ( -1.232 2.992 -5.374) 6.273 13.429 ( 0.892 -4.182 -4.453) 6.174 13.921 ( -1.061 -2.400 3.944) 4.737 14.057 ( 1.734 3.417 -0.379) 3.850 14.172 ( 1.530 5.649 -4.846) 7.598 14.382 ( -6.138 -1.658 2.875) 6.978 14.408 ( 12.933 -7.901 -2.320) 15.332 15.000 ( 2.271 7.750 -3.229) 8.697 15.287 ( 8.963 -5.008 -11.366) 15.316 15.514 ( 8.943 0.490 -10.168) 13.550 18.622 ( -7.852 8.289 7.250) 13.525 18.883 ( -1.938 -6.336 8.571) 10.834 19.180 ( -10.617 1.389 1.495) 10.811 19.565 ( 1.531 5.737 17.299) 18.290 19.936 ( -0.863 -10.635 -5.802) 12.146 20.317 ( 2.867 2.819 -7.913) 8.876 ======================= Grid point 133 (69/116) ======================= q-point: (-0.14 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -1.339 3.398 -1.138) 3.825 1.696 ( -9.424 -9.784 4.276) 14.241 2.102 ( -14.802 -6.868 -6.592) 17.599 2.357 ( 10.177 5.936 -13.992) 18.292 2.643 ( -3.090 -2.664 5.830) 7.116 2.731 ( 4.314 -2.616 -2.692) 5.718 3.010 ( 8.663 -0.546 -4.668) 9.856 3.141 ( -3.211 -2.960 -1.722) 4.695 3.341 ( -4.539 -2.088 1.410) 5.191 3.476 ( -24.603 -9.328 4.503) 26.695 3.601 ( -13.716 5.486 5.710) 15.838 3.693 ( 6.033 -10.460 5.822) 13.405 3.875 ( -0.369 -3.399 -1.220) 3.630 3.983 ( -3.532 11.233 6.426) 13.414 4.298 ( -6.159 0.543 -3.512) 7.110 4.535 ( -2.428 5.952 2.095) 6.761 4.646 ( 4.946 -3.086 2.675) 6.414 4.836 ( 7.412 8.316 -2.976) 11.530 4.938 ( 1.691 2.518 3.073) 4.318 4.947 ( 3.324 -4.601 2.344) 6.142 5.041 ( -0.802 5.134 -0.196) 5.200 5.318 ( -1.275 -7.275 2.710) 7.867 5.421 ( 4.815 6.025 -4.592) 8.977 5.520 ( 4.072 5.953 -1.956) 7.473 5.623 ( -1.181 -4.258 1.534) 4.678 5.687 ( -1.317 1.709 5.031) 5.475 5.766 ( -5.884 -5.465 2.182) 8.322 6.057 ( -5.971 2.704 -4.252) 7.813 6.143 ( -7.902 0.227 5.891) 9.859 6.197 ( 1.772 -2.313 -1.068) 3.103 6.366 ( -6.899 3.649 -0.825) 7.848 6.447 ( 2.116 -5.390 3.023) 6.532 6.545 ( 4.128 -3.499 -5.523) 7.732 6.617 ( 3.394 -1.946 1.660) 4.250 6.772 ( -1.383 1.023 -0.328) 1.752 6.863 ( 2.996 -1.826 -8.845) 9.515 7.019 ( 0.126 5.658 -0.023) 5.659 7.240 ( -3.518 0.645 -2.832) 4.562 7.418 ( 3.011 2.177 -1.845) 4.149 7.455 ( 5.771 -0.954 -1.466) 6.030 7.550 ( 3.835 3.785 0.763) 5.442 7.781 ( 7.163 -0.247 -0.137) 7.168 7.844 ( 1.817 3.009 -0.366) 3.534 7.931 ( 1.192 -2.116 3.310) 4.105 8.131 ( 7.818 -2.209 -7.451) 11.023 8.200 ( 0.373 0.351 -6.996) 7.015 8.464 ( 3.981 -0.180 -3.223) 5.125 8.558 ( 8.896 7.947 -1.370) 12.007 8.773 ( 1.422 -3.046 3.824) 5.091 8.935 ( -1.838 -4.348 -2.123) 5.176 9.062 ( 0.138 -4.291 2.437) 4.936 9.414 ( -4.511 4.913 3.864) 7.709 9.727 ( 1.802 -6.692 6.327) 9.384 9.830 ( 3.978 10.753 -1.535) 11.568 9.982 ( 0.124 1.234 2.111) 2.448 10.184 ( -7.741 0.460 7.522) 10.804 10.315 ( -4.601 -2.774 -4.349) 6.912 10.360 ( 2.503 -0.024 -0.680) 2.594 10.497 ( -5.629 -2.794 3.569) 7.227 10.562 ( 4.985 0.428 -2.693) 5.682 10.743 ( 1.240 -3.751 -1.890) 4.380 10.923 ( -0.758 -7.737 -0.697) 7.805 11.279 ( -6.355 3.967 1.581) 7.656 11.387 ( -1.767 5.200 5.256) 7.602 11.588 ( -8.554 -0.429 3.014) 9.080 11.637 ( -4.116 0.204 5.072) 6.535 11.860 ( -5.315 3.545 -3.610) 7.339 12.038 ( 4.177 -0.977 1.009) 4.406 12.132 ( 1.605 1.521 -0.630) 2.300 12.163 ( -3.561 0.189 -5.197) 6.303 12.482 ( -0.582 -3.193 6.661) 7.410 12.721 ( 3.961 5.205 2.256) 6.919 12.801 ( -2.261 -6.280 -0.591) 6.701 12.979 ( -0.846 -1.932 -4.027) 4.546 13.238 ( -1.453 -4.005 0.687) 4.316 13.452 ( 0.201 -4.496 -6.366) 7.796 13.954 ( 0.279 0.266 3.866) 3.885 14.035 ( -1.209 7.551 0.610) 7.671 14.086 ( -1.090 -2.891 -0.368) 3.111 14.355 ( -1.556 1.006 0.557) 1.936 14.658 ( 12.631 -8.562 -5.595) 16.253 14.877 ( 0.301 6.416 -3.179) 7.166 15.355 ( 10.037 -1.420 -10.762) 14.785 15.524 ( 6.295 -0.150 -8.339) 10.449 18.462 ( -8.055 5.787 4.217) 10.777 18.981 ( -9.320 -2.644 4.094) 10.518 19.045 ( 0.675 5.305 3.237) 6.251 19.685 ( 0.404 3.051 19.743) 19.981 20.020 ( -2.480 -7.990 -4.906) 9.698 20.297 ( 8.239 -0.444 -5.339) 9.828 ======================= Grid point 139 (70/116) ======================= q-point: (-0.29 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -16.505 -0.000 0.105) 16.505 1.655 ( -27.869 -0.000 3.449) 28.082 2.047 ( 10.878 0.000 -5.434) 12.159 2.503 ( 16.738 0.000 -21.257) 27.056 2.569 ( 0.092 0.000 5.716) 5.717 2.747 ( -2.127 -0.000 -0.370) 2.159 2.959 ( -2.387 -0.000 -13.332) 13.544 3.111 ( -28.467 -0.000 4.987) 28.900 3.275 ( -13.928 -0.000 5.445) 14.955 3.363 ( 3.016 0.000 -6.189) 6.885 3.365 ( 5.450 0.000 15.486) 16.417 3.761 ( 3.780 0.000 7.112) 8.054 3.854 ( -9.321 -0.000 -2.001) 9.533 4.264 ( -16.681 -0.000 0.206) 16.682 4.442 ( -4.263 -0.000 6.783) 8.011 4.570 ( 9.150 0.000 -1.789) 9.323 4.662 ( 4.909 0.000 2.776) 5.640 4.767 ( -6.005 -0.000 8.253) 10.207 4.780 ( 5.695 0.000 5.114) 7.654 5.041 ( 8.274 0.000 -9.921) 12.919 5.096 ( -6.372 -0.000 1.914) 6.654 5.255 ( 3.963 0.000 -8.764) 9.618 5.489 ( -2.372 -0.000 1.699) 2.918 5.529 ( -3.218 -0.000 1.228) 3.444 5.594 ( 13.732 0.000 -5.767) 14.893 5.733 ( -11.253 -0.000 3.749) 11.861 5.818 ( -3.265 -0.000 -0.662) 3.331 5.871 ( 2.237 0.000 1.968) 2.979 6.119 ( 5.130 0.000 -1.006) 5.228 6.251 ( 1.135 0.000 3.418) 3.602 6.326 ( -6.667 -0.000 3.803) 7.675 6.485 ( -6.854 -0.000 6.310) 9.316 6.527 ( -0.906 -0.000 -4.620) 4.708 6.580 ( 5.999 0.000 -2.590) 6.535 6.733 ( -2.249 -0.000 -10.829) 11.060 6.902 ( 6.383 0.000 -2.848) 6.990 7.094 ( -4.876 -0.000 0.623) 4.916 7.275 ( -1.802 -0.000 4.151) 4.526 7.390 ( 4.181 0.000 -0.141) 4.183 7.617 ( 8.531 0.000 -6.232) 10.564 7.628 ( 3.305 0.000 1.976) 3.851 7.671 ( 4.091 0.000 -3.316) 5.266 7.872 ( 1.492 0.000 3.596) 3.894 7.927 ( 2.460 0.000 6.306) 6.769 8.090 ( 11.557 0.000 -10.148) 15.380 8.237 ( 1.194 0.000 -10.406) 10.474 8.476 ( 13.197 0.000 -9.645) 16.346 8.591 ( 1.399 0.000 5.058) 5.248 8.689 ( 8.874 0.000 -0.921) 8.922 8.952 ( -10.525 -0.000 7.237) 12.773 8.995 ( 5.369 0.000 0.965) 5.455 9.499 ( -1.618 -0.000 3.665) 4.006 9.591 ( -3.059 -0.000 2.309) 3.832 10.012 ( -2.501 -0.000 1.022) 2.702 10.035 ( 5.835 0.000 -2.303) 6.273 10.151 ( -10.212 -0.000 7.506) 12.674 10.307 ( -3.233 -0.000 1.109) 3.418 10.378 ( -2.246 -0.000 -0.516) 2.305 10.428 ( 5.526 0.000 3.321) 6.447 10.545 ( -2.745 -0.000 -3.266) 4.266 10.671 ( 1.061 0.000 3.051) 3.230 10.778 ( 1.809 0.000 -5.115) 5.426 11.440 ( -7.604 -0.000 3.342) 8.306 11.455 ( -5.821 -0.000 -1.992) 6.152 11.508 ( -7.949 -0.000 6.213) 10.089 11.625 ( -3.117 -0.000 6.521) 7.228 11.940 ( -9.143 -0.000 -1.886) 9.336 12.004 ( 0.051 0.000 0.277) 0.282 12.097 ( -1.662 -0.000 4.864) 5.140 12.194 ( -2.982 -0.000 -6.941) 7.555 12.523 ( 1.657 0.000 0.851) 1.863 12.613 ( -4.459 -0.000 2.870) 5.303 12.848 ( 11.880 0.000 1.700) 12.001 12.890 ( 1.388 0.000 -4.124) 4.351 13.236 ( -2.522 -0.000 -7.415) 7.832 13.356 ( 0.033 0.000 -3.283) 3.283 13.932 ( -2.783 -0.000 7.020) 7.551 14.060 ( 2.263 0.000 -5.351) 5.810 14.244 ( -7.288 -0.000 2.803) 7.808 14.297 ( 6.168 0.000 -3.599) 7.141 14.508 ( 12.458 0.000 -0.687) 12.477 15.106 ( 2.872 0.000 -1.000) 3.041 15.210 ( 7.635 0.000 -12.682) 14.803 15.527 ( 6.837 0.000 -9.558) 11.751 18.624 ( -8.118 -0.000 -0.120) 8.119 18.910 ( -4.108 -0.000 12.663) 13.313 19.139 ( -2.317 -0.000 6.195) 6.614 19.740 ( -2.433 -0.000 -7.616) 7.995 19.804 ( -0.182 -0.000 20.511) 20.511 20.313 ( 4.498 0.000 -6.800) 8.153 ======================= Grid point 140 (71/116) ======================= q-point: (-0.14 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -23.646 -10.895 13.969) 29.546 1.427 ( -24.184 -8.229 9.202) 27.152 2.095 ( 14.729 12.231 -8.473) 20.936 2.463 ( 5.450 2.972 -12.663) 14.103 2.620 ( -18.933 -16.937 9.619) 27.163 2.650 ( -4.827 7.396 2.929) 9.304 2.811 ( -14.330 -2.135 2.089) 14.638 3.027 ( 7.282 -11.335 -4.960) 14.357 3.198 ( -0.390 5.811 2.929) 6.519 3.385 ( 1.911 -0.431 0.458) 2.012 3.619 ( -3.895 7.338 3.657) 9.077 3.693 ( 0.674 -8.857 7.708) 11.760 3.896 ( 6.468 -2.589 2.428) 7.378 4.102 ( -11.818 -4.738 -3.925) 13.324 4.248 ( -2.854 18.619 7.572) 20.301 4.591 ( -3.221 0.537 -2.207) 3.941 4.726 ( 7.560 6.341 -0.280) 9.871 4.841 ( -7.683 -8.968 8.755) 14.701 4.938 ( -5.283 -6.262 -1.170) 8.276 5.011 ( 8.559 5.167 -7.330) 12.397 5.043 ( 2.315 -1.409 1.954) 3.341 5.293 ( 2.732 -2.881 1.530) 4.255 5.409 ( -2.829 1.595 -4.500) 5.549 5.519 ( -3.902 -2.584 -0.539) 4.710 5.619 ( -2.767 -0.331 0.478) 2.828 5.696 ( 2.044 2.245 -7.488) 8.080 5.728 ( -0.860 0.452 3.038) 3.190 5.977 ( 0.643 -5.613 -2.158) 6.048 6.137 ( -2.636 4.091 5.914) 7.659 6.242 ( 3.708 3.457 -0.582) 5.103 6.314 ( -2.602 1.211 1.140) 3.088 6.462 ( -1.168 -0.393 2.024) 2.370 6.485 ( -0.107 -3.344 -4.247) 5.407 6.607 ( -2.875 -0.913 1.228) 3.257 6.713 ( 3.351 -7.735 -9.254) 12.518 6.873 ( 4.588 8.444 -1.230) 9.688 7.064 ( -2.816 2.143 3.400) 4.907 7.240 ( -3.685 3.755 2.479) 5.816 7.453 ( 2.277 -3.091 -2.389) 4.522 7.549 ( 6.628 8.387 -2.295) 10.934 7.664 ( 5.451 2.306 -0.373) 5.930 7.797 ( 6.470 -5.739 -3.847) 9.466 7.913 ( 2.755 3.465 2.372) 5.022 8.000 ( 2.366 0.766 2.737) 3.698 8.155 ( 6.498 -1.093 -3.702) 7.558 8.177 ( 4.773 0.792 -6.655) 8.228 8.517 ( 9.593 2.665 -7.048) 12.198 8.707 ( -0.549 0.966 1.113) 1.572 8.730 ( 6.122 -5.335 -1.515) 8.261 8.869 ( -7.235 1.484 1.660) 7.570 9.109 ( 9.772 0.639 1.362) 9.887 9.456 ( -4.880 3.957 3.562) 7.223 9.673 ( 0.128 -7.139 5.594) 9.070 9.991 ( -2.191 0.835 -0.554) 2.410 10.034 ( 6.123 5.131 1.133) 8.068 10.093 ( -9.821 -2.872 2.638) 10.567 10.231 ( -4.519 2.478 0.285) 5.162 10.391 ( -2.805 -3.914 -1.058) 4.930 10.446 ( 2.105 4.704 1.624) 5.403 10.581 ( 2.477 -3.408 0.506) 4.243 10.704 ( 1.026 -0.788 -1.283) 1.822 10.815 ( 0.176 -5.929 0.280) 5.939 11.287 ( -6.038 4.907 2.560) 8.190 11.449 ( -8.436 0.905 4.598) 9.650 11.463 ( -4.819 -3.579 2.672) 6.570 11.624 ( -6.246 1.845 4.999) 8.210 11.800 ( -4.834 0.442 -2.367) 5.401 12.032 ( -5.185 -0.469 -6.155) 8.061 12.060 ( 2.397 -4.864 0.967) 5.508 12.174 ( 2.459 1.027 0.117) 2.667 12.522 ( -1.107 1.349 4.564) 4.887 12.635 ( -5.182 -5.292 0.499) 7.423 12.827 ( -0.131 -0.188 -7.419) 7.422 12.976 ( 7.252 3.910 0.622) 8.263 13.176 ( -1.304 -2.812 0.543) 3.147 13.357 ( 0.558 -3.053 -2.559) 4.022 13.967 ( -4.856 -1.674 8.197) 9.673 14.053 ( 2.532 0.162 -3.587) 4.394 14.125 ( -4.381 6.057 2.128) 7.773 14.358 ( 3.899 -1.297 -2.548) 4.835 14.683 ( 12.641 -3.686 -2.949) 13.493 14.982 ( 0.207 11.099 -2.791) 11.447 15.310 ( 7.907 -7.910 -9.480) 14.662 15.517 ( 4.336 -0.180 -7.920) 9.031 18.476 ( -8.072 5.566 1.492) 9.918 18.894 ( -8.541 1.447 5.163) 10.085 19.195 ( 6.067 4.134 2.526) 7.764 19.743 ( -0.205 -9.300 -5.290) 10.702 19.969 ( -2.302 1.869 19.794) 20.014 20.333 ( 6.990 -1.352 -5.092) 8.753 ======================= Grid point 147 (72/116) ======================= q-point: (-0.14 -0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -22.690 -0.000 22.530) 31.975 1.235 ( -23.231 -0.000 27.282) 35.832 2.141 ( -45.644 -0.000 34.018) 56.926 2.380 ( 19.538 0.000 -7.769) 21.026 2.486 ( 3.584 0.000 -7.948) 8.718 2.648 ( 6.472 0.000 -7.424) 9.849 2.897 ( 7.781 0.000 0.313) 7.787 2.959 ( 3.699 0.000 1.762) 4.097 3.287 ( -0.744 -0.000 7.593) 7.629 3.445 ( 4.248 0.000 -3.865) 5.743 3.614 ( -3.647 -0.000 1.221) 3.846 3.757 ( 2.675 0.000 8.074) 8.505 3.873 ( -6.719 -0.000 -0.731) 6.759 3.952 ( 2.857 0.000 -0.013) 2.857 4.495 ( 2.380 0.000 0.259) 2.394 4.541 ( -3.455 -0.000 0.438) 3.483 4.612 ( -15.699 -0.000 8.965) 18.078 4.810 ( -10.748 -0.000 4.381) 11.607 4.858 ( 3.002 0.000 -1.014) 3.168 5.093 ( 10.352 0.000 -10.486) 14.735 5.106 ( 7.179 0.000 0.574) 7.202 5.263 ( -4.981 -0.000 3.988) 6.381 5.342 ( -3.839 -0.000 -5.057) 6.349 5.416 ( -4.117 -0.000 -2.638) 4.890 5.492 ( -7.295 -0.000 -3.517) 8.099 5.721 ( 6.136 0.000 -5.936) 8.537 5.810 ( -0.131 -0.000 -9.007) 9.008 5.889 ( 7.760 0.000 5.168) 9.324 6.226 ( -3.219 -0.000 7.929) 8.557 6.330 ( 7.125 0.000 -5.063) 8.740 6.342 ( -4.994 -0.000 -1.868) 5.332 6.365 ( 1.896 0.000 4.090) 4.508 6.472 ( -0.990 -0.000 0.748) 1.241 6.571 ( -1.623 -0.000 -4.412) 4.701 6.609 ( 1.087 0.000 -2.867) 3.066 7.025 ( 3.729 0.000 0.029) 3.729 7.114 ( 1.876 0.000 6.912) 7.162 7.249 ( -7.012 -0.000 6.435) 9.517 7.425 ( 2.953 0.000 -1.363) 3.252 7.697 ( 7.896 0.000 -8.909) 11.904 7.740 ( 5.945 0.000 -3.100) 6.705 7.762 ( 3.417 0.000 1.460) 3.715 8.028 ( 2.085 0.000 6.031) 6.381 8.043 ( 5.973 0.000 -1.750) 6.224 8.167 ( 6.198 0.000 -5.779) 8.474 8.204 ( 2.696 0.000 -2.054) 3.389 8.600 ( 8.137 0.000 -9.449) 12.470 8.694 ( -5.434 -0.000 4.284) 6.919 8.729 ( 5.806 0.000 1.075) 5.905 8.816 ( -3.580 -0.000 -2.619) 4.436 9.280 ( 13.205 0.000 -0.482) 13.214 9.439 ( -7.595 -0.000 1.568) 7.755 9.660 ( -2.718 -0.000 4.932) 5.632 9.902 ( -10.211 -0.000 -6.367) 12.034 9.948 ( -5.106 -0.000 -3.567) 6.229 10.139 ( 5.595 0.000 1.795) 5.876 10.257 ( -6.518 -0.000 6.552) 9.242 10.318 ( 2.427 0.000 -5.777) 6.266 10.546 ( 6.585 0.000 1.235) 6.700 10.567 ( -0.716 -0.000 0.771) 1.052 10.708 ( -1.994 -0.000 0.301) 2.017 10.761 ( -0.517 -0.000 0.465) 0.695 11.262 ( -12.293 -0.000 6.289) 13.808 11.379 ( 0.616 0.000 0.711) 0.941 11.415 ( -7.737 -0.000 3.980) 8.700 11.625 ( -6.884 -0.000 4.981) 8.497 11.725 ( -1.385 -0.000 -2.966) 3.273 11.921 ( -2.433 -0.000 -5.141) 5.687 12.030 ( -0.307 -0.000 0.562) 0.641 12.214 ( 2.668 0.000 -0.111) 2.670 12.512 ( -5.725 -0.000 0.123) 5.726 12.524 ( -5.415 -0.000 0.599) 5.448 12.818 ( 5.741 0.000 0.037) 5.741 13.146 ( 8.268 0.000 1.348) 8.377 13.184 ( 5.628 0.000 10.446) 11.866 13.329 ( 1.501 0.000 -0.936) 1.769 13.957 ( -7.247 -0.000 8.944) 11.511 14.065 ( 3.657 0.000 -3.309) 4.932 14.124 ( -5.705 -0.000 2.787) 6.350 14.383 ( 6.289 0.000 -3.584) 7.238 14.792 ( 10.757 0.000 -0.911) 10.796 15.144 ( 1.350 0.000 -8.231) 8.341 15.147 ( 2.063 0.000 -1.225) 2.399 15.483 ( 1.360 0.000 -6.590) 6.729 18.443 ( -5.673 -0.000 0.276) 5.680 18.878 ( -5.474 -0.000 5.935) 8.074 19.260 ( 0.507 0.000 -10.659) 10.671 19.596 ( 1.771 0.000 -6.845) 7.070 20.123 ( -6.225 -0.000 14.805) 16.061 20.350 ( 5.285 0.000 -3.241) 6.200 ======================= Grid point 148 (73/116) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 3.260 0.000 22.552) 22.786 2.181 ( 5.862 0.000 19.460) 20.324 2.324 ( -12.435 -0.000 0.131) 12.436 2.457 ( 3.232 0.000 1.297) 3.483 2.803 ( 13.918 0.000 -11.586) 18.109 2.911 ( -3.216 -0.000 14.499) 14.851 3.089 ( 11.515 0.000 3.889) 12.154 3.146 ( -2.270 -0.000 6.031) 6.444 3.454 ( -6.778 -0.000 3.116) 7.460 3.550 ( -6.552 -0.000 10.208) 12.129 3.622 ( 6.990 0.000 3.389) 7.768 3.822 ( -0.368 -0.000 1.335) 1.385 3.882 ( -3.687 -0.000 0.657) 3.745 3.920 ( 4.412 0.000 -3.062) 5.370 4.381 ( -0.807 -0.000 -3.279) 3.377 4.396 ( -23.131 -0.000 8.156) 24.527 4.574 ( -11.929 -0.000 -6.922) 13.792 4.728 ( -1.094 -0.000 -0.278) 1.129 4.776 ( 4.466 0.000 -2.560) 5.148 4.843 ( -8.095 -0.000 3.699) 8.900 4.988 ( 11.899 0.000 -7.817) 14.237 5.123 ( -1.891 -0.000 -1.764) 2.586 5.156 ( 15.571 0.000 -12.966) 20.262 5.387 ( 2.392 0.000 0.221) 2.402 5.412 ( 2.570 0.000 -10.093) 10.415 5.594 ( 5.671 0.000 -9.988) 11.485 5.693 ( 0.327 0.000 11.932) 11.937 6.075 ( -3.248 -0.000 -6.411) 7.187 6.230 ( -0.388 -0.000 7.547) 7.557 6.262 ( -13.981 -0.000 0.584) 13.993 6.341 ( 9.391 0.000 2.113) 9.626 6.520 ( 6.718 0.000 -0.705) 6.755 6.559 ( 1.539 0.000 -4.222) 4.494 6.585 ( -4.471 -0.000 3.041) 5.407 6.628 ( 1.313 0.000 5.042) 5.210 6.912 ( 1.079 0.000 -8.237) 8.307 7.308 ( -8.096 -0.000 5.770) 9.941 7.362 ( -3.246 -0.000 4.056) 5.195 7.478 ( 2.105 0.000 -0.039) 2.105 7.579 ( 4.649 0.000 -4.433) 6.424 7.731 ( 5.122 0.000 -2.114) 5.542 7.795 ( -0.916 -0.000 -2.674) 2.826 8.068 ( -5.744 -0.000 3.048) 6.503 8.211 ( 6.124 0.000 -0.265) 6.129 8.247 ( 1.663 0.000 -0.065) 1.664 8.395 ( 3.750 0.000 3.590) 5.192 8.414 ( -3.234 -0.000 -4.238) 5.331 8.468 ( 2.353 0.000 -5.917) 6.368 8.803 ( -4.873 -0.000 2.176) 5.337 8.870 ( 5.672 0.000 0.225) 5.676 9.260 ( -10.928 -0.000 -0.217) 10.930 9.264 ( -3.841 -0.000 -0.183) 3.845 9.474 ( 5.586 0.000 -1.448) 5.771 9.589 ( -0.818 -0.000 -7.098) 7.145 9.734 ( -3.001 -0.000 5.823) 6.551 10.074 ( 3.118 0.000 -8.930) 9.459 10.371 ( 7.778 0.000 1.358) 7.895 10.399 ( -5.263 -0.000 3.203) 6.161 10.629 ( -2.130 -0.000 6.074) 6.436 10.653 ( -1.984 -0.000 3.927) 4.400 10.782 ( -2.183 -0.000 -0.660) 2.281 10.911 ( 9.937 0.000 -0.103) 9.938 11.264 ( -6.930 -0.000 4.685) 8.365 11.375 ( -1.836 -0.000 2.543) 3.137 11.448 ( 1.685 0.000 -1.947) 2.575 11.528 ( -4.506 -0.000 -1.048) 4.627 11.705 ( -3.854 -0.000 -1.824) 4.264 11.716 ( 5.283 0.000 0.713) 5.331 12.105 ( -4.421 -0.000 6.549) 7.902 12.321 ( 9.092 0.000 -1.250) 9.177 12.359 ( -3.421 -0.000 -0.804) 3.514 12.441 ( -5.437 -0.000 -3.513) 6.473 12.881 ( 2.370 0.000 3.618) 4.325 13.136 ( 2.015 0.000 -6.394) 6.704 13.535 ( -5.094 -0.000 9.436) 10.724 13.945 ( 8.971 0.000 -8.279) 12.207 13.990 ( -10.428 -0.000 4.250) 11.261 14.118 ( 20.878 0.000 -2.023) 20.976 14.186 ( -3.891 -0.000 5.086) 6.404 14.402 ( 7.806 0.000 -4.989) 9.265 14.937 ( 1.819 0.000 0.254) 1.837 14.956 ( -5.442 -0.000 -0.365) 5.454 15.181 ( 2.908 0.000 0.136) 2.911 15.260 ( -1.831 -0.000 -4.664) 5.010 18.444 ( 1.923 0.000 2.719) 3.330 18.590 ( -9.530 -0.000 -4.145) 10.392 19.080 ( -5.455 -0.000 9.431) 10.894 19.451 ( 7.601 0.000 -7.612) 10.757 20.163 ( -15.219 -0.000 8.803) 17.581 20.403 ( 8.289 0.000 -3.083) 8.843 ======================= Grid point 149 (74/116) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -13.102 13.555 -2.728) 19.048 2.157 ( 11.636 2.422 16.831) 20.605 2.378 ( 9.175 0.696 -1.320) 9.296 2.530 ( 3.350 11.788 19.247) 22.818 2.690 ( 5.752 4.389 -11.087) 13.239 2.923 ( -2.575 0.109 -5.811) 6.357 3.237 ( -1.778 -4.236 -2.414) 5.189 3.242 ( 3.624 -4.013 2.001) 5.765 3.422 ( -0.975 10.343 -1.838) 10.550 3.544 ( 0.214 5.826 2.755) 6.448 3.650 ( -4.439 -9.788 2.818) 11.111 3.853 ( -0.799 -5.341 13.241) 14.300 3.934 ( -9.772 -2.922 6.730) 12.220 4.034 ( 5.625 -3.412 0.466) 6.595 4.250 ( -8.732 -0.653 2.826) 9.201 4.347 ( -0.312 -5.240 -7.103) 8.832 4.466 ( -9.205 -9.259 6.483) 14.577 4.654 ( -4.374 -0.122 1.240) 4.548 4.772 ( -6.412 -1.756 4.891) 8.253 4.837 ( 0.502 3.342 -4.972) 6.012 5.057 ( 7.965 4.446 -3.992) 9.957 5.080 ( 8.797 4.047 -1.716) 9.834 5.205 ( 6.468 1.346 -4.489) 7.987 5.396 ( 14.190 -2.291 -10.660) 17.895 5.513 ( 2.425 -9.175 -2.451) 9.802 5.606 ( 2.764 -6.506 -8.029) 10.697 5.806 ( 0.688 0.635 5.069) 5.155 6.028 ( -13.390 -0.620 4.784) 14.232 6.080 ( 3.224 1.696 -5.174) 6.328 6.287 ( -0.783 3.185 5.768) 6.636 6.407 ( -0.928 3.324 1.054) 3.608 6.469 ( -5.410 -0.639 0.794) 5.505 6.549 ( 0.004 0.705 -1.801) 1.934 6.641 ( 5.438 -5.019 -3.817) 8.327 6.694 ( 2.858 -0.990 1.436) 3.348 6.874 ( 1.235 -2.299 -4.895) 5.547 7.243 ( -8.340 3.196 7.613) 11.736 7.340 ( -6.021 0.189 4.894) 7.761 7.465 ( -0.537 3.082 -2.344) 3.910 7.548 ( 2.724 0.966 -3.054) 4.205 7.725 ( 0.720 4.764 -2.798) 5.572 7.752 ( 3.434 5.103 -3.140) 6.906 7.991 ( -3.991 6.909 6.501) 10.292 8.182 ( -3.017 4.264 -1.133) 5.345 8.225 ( 1.515 2.295 -2.883) 3.984 8.238 ( -1.013 7.043 -6.211) 9.445 8.430 ( -3.286 -1.276 2.817) 4.512 8.587 ( -0.367 -7.979 0.160) 7.990 8.711 ( -3.969 2.860 -4.960) 6.967 8.920 ( 1.204 -0.864 1.888) 2.400 9.191 ( -4.054 -2.987 1.553) 5.270 9.264 ( 2.879 0.813 2.045) 3.623 9.486 ( 2.453 3.628 -1.674) 4.688 9.648 ( 2.922 -9.037 2.082) 9.723 9.823 ( 6.819 -1.260 0.977) 7.003 10.067 ( 4.525 -3.396 -6.798) 8.844 10.336 ( -1.952 2.104 2.700) 3.940 10.490 ( 4.738 0.316 -2.337) 5.292 10.601 ( -3.869 1.665 6.857) 8.047 10.671 ( 0.118 1.860 2.593) 3.193 10.773 ( -5.200 -4.559 -0.408) 6.928 11.007 ( 6.567 -1.862 -4.629) 8.248 11.235 ( -4.944 -0.365 4.820) 6.914 11.388 ( -3.696 1.302 3.068) 4.977 11.447 ( 0.708 -1.771 1.539) 2.450 11.511 ( 1.654 -3.637 -2.112) 4.519 11.657 ( -2.349 -0.491 1.110) 2.644 11.823 ( 6.577 -2.660 -1.390) 7.230 12.072 ( -9.342 0.379 3.571) 10.009 12.305 ( 4.699 3.256 1.217) 5.845 12.381 ( -5.020 -2.786 -3.200) 6.573 12.475 ( 8.100 -4.076 1.087) 9.133 12.945 ( 1.541 -0.330 4.376) 4.651 13.097 ( 0.941 -0.751 -7.630) 7.725 13.531 ( -8.038 -0.528 7.661) 11.117 13.834 ( -4.378 6.121 -2.621) 7.969 13.959 ( -2.553 -2.412 -3.417) 4.900 14.159 ( -0.554 2.975 2.630) 4.009 14.290 ( 12.400 7.331 -2.738) 14.663 14.460 ( 8.126 -0.653 -5.270) 9.708 14.782 ( -4.980 7.446 -0.343) 8.965 14.939 ( 0.963 3.157 -1.407) 3.588 15.200 ( -2.530 -0.342 -3.862) 4.630 15.250 ( 1.503 -4.173 -0.669) 4.486 18.494 ( -2.089 -0.833 2.212) 3.154 18.561 ( 3.293 -4.741 1.303) 5.917 19.106 ( -6.815 -2.922 8.686) 11.421 19.508 ( 8.083 -4.082 -8.448) 12.384 20.052 ( -13.472 1.610 9.189) 16.387 20.462 ( 8.111 2.770 -2.457) 8.916 ======================= Grid point 150 (75/116) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -9.111 12.412 -3.236) 15.733 2.143 ( 2.149 16.344 -11.908) 20.336 2.409 ( 9.458 9.562 15.561) 20.568 2.593 ( 9.515 -1.503 -0.526) 9.647 2.833 ( -1.468 -3.575 -10.854) 11.522 2.841 ( 7.603 0.904 4.626) 8.945 3.013 ( -3.622 14.097 -10.416) 17.898 3.180 ( -6.801 0.107 -5.948) 9.036 3.287 ( -13.449 1.993 2.750) 13.871 3.560 ( 3.583 -2.674 -1.168) 4.621 3.709 ( -2.392 1.616 3.686) 4.682 3.858 ( -0.018 0.572 11.251) 11.266 4.054 ( -12.024 -3.188 10.116) 16.033 4.137 ( 2.979 -0.830 2.087) 3.731 4.275 ( 4.600 -8.329 -0.411) 9.524 4.407 ( -0.710 -5.446 -5.713) 7.925 4.652 ( -2.010 -12.924 8.873) 15.805 4.670 ( -2.414 4.517 2.913) 5.892 4.742 ( -3.614 -6.032 2.099) 7.338 4.813 ( -0.477 -8.228 5.737) 10.042 5.039 ( 7.868 8.336 0.361) 11.468 5.090 ( 2.772 2.740 -6.454) 7.540 5.276 ( 8.405 -0.766 -0.068) 8.440 5.511 ( 7.694 -1.458 -4.930) 9.254 5.602 ( 2.795 -1.608 -3.930) 5.084 5.681 ( -3.633 -7.248 -2.267) 8.419 5.810 ( 0.486 -0.836 -1.461) 1.752 5.964 ( 0.842 -4.088 0.794) 4.249 6.017 ( -9.627 4.436 3.422) 11.138 6.225 ( 1.272 5.601 -5.025) 7.632 6.320 ( -2.244 0.660 -2.130) 3.164 6.494 ( -0.021 -0.826 -0.226) 0.857 6.547 ( 0.193 -4.114 3.178) 5.202 6.723 ( -0.690 -0.118 -1.349) 1.520 6.747 ( 5.753 -3.378 -2.982) 7.307 6.906 ( -0.407 -4.119 -1.046) 4.269 7.116 ( -7.225 9.411 3.534) 12.380 7.303 ( -3.685 1.137 3.807) 5.419 7.349 ( 1.019 4.473 -5.082) 6.847 7.574 ( -0.253 1.186 -0.324) 1.256 7.669 ( 7.734 8.497 -2.453) 11.749 7.682 ( -2.908 -3.464 0.477) 4.548 7.830 ( -5.097 10.405 1.809) 11.727 8.105 ( -1.828 0.593 1.395) 2.375 8.151 ( 6.076 4.441 -6.271) 9.796 8.163 ( -1.451 4.322 -0.915) 4.650 8.378 ( -5.925 2.439 3.398) 7.253 8.552 ( -5.537 3.274 -5.065) 8.187 8.645 ( -4.692 -6.107 0.919) 7.756 9.006 ( 0.339 -6.184 -4.151) 7.456 9.254 ( 3.281 -5.494 3.221) 7.163 9.317 ( 5.015 4.400 0.997) 6.746 9.445 ( 1.911 3.329 3.293) 5.058 9.847 ( 0.095 -6.973 7.158) 9.994 9.930 ( 11.581 1.015 -0.683) 11.645 10.140 ( 2.546 -5.556 -4.739) 7.733 10.320 ( -1.070 -0.116 -0.481) 1.179 10.482 ( 1.229 3.385 3.203) 4.820 10.569 ( -2.464 3.207 -0.267) 4.053 10.661 ( 0.622 1.036 1.333) 1.799 10.759 ( -5.608 -2.677 -2.211) 6.595 11.037 ( 1.067 -2.139 -5.869) 6.337 11.262 ( -1.368 -1.534 7.508) 7.785 11.347 ( -2.286 1.203 2.395) 3.523 11.527 ( -1.220 -4.267 3.702) 5.780 11.576 ( 2.298 -4.258 -4.404) 6.543 11.687 ( -0.099 -2.944 2.776) 4.048 11.903 ( 3.815 -2.207 -2.704) 5.171 11.997 ( -3.727 0.878 3.419) 5.133 12.318 ( -2.152 1.604 -1.399) 3.027 12.394 ( 4.714 -4.236 1.379) 6.486 12.622 ( 5.031 -1.706 2.343) 5.806 12.988 ( -0.724 0.112 0.361) 0.817 13.046 ( -1.554 -0.474 -3.274) 3.655 13.506 ( -3.384 -0.559 0.176) 3.435 13.661 ( -5.294 5.942 -0.520) 7.975 13.927 ( -2.217 -1.656 -3.330) 4.330 14.131 ( 0.593 4.785 0.962) 4.917 14.166 ( -6.263 9.888 4.594) 12.574 14.491 ( 2.722 2.203 -2.593) 4.357 14.695 ( 7.492 2.276 -7.878) 11.107 14.863 ( 1.146 6.015 -2.710) 6.697 15.145 ( 0.307 0.202 -4.153) 4.169 15.319 ( 1.289 -4.392 -1.868) 4.944 18.474 ( -1.972 0.624 0.373) 2.102 18.753 ( 6.489 -6.154 5.539) 10.520 19.129 ( -9.767 -3.943 6.205) 12.225 19.627 ( 8.789 -7.344 -5.622) 12.759 19.966 ( -9.733 1.027 8.238) 12.793 20.469 ( 7.093 6.214 -2.444) 9.742 ======================= Grid point 151 (76/116) ======================= q-point: (-0.57 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 1.104 4.404 -3.957) 6.023 1.884 ( 2.259 5.041 -12.308) 13.491 2.442 ( -1.735 13.115 9.114) 16.065 2.475 ( -4.891 19.113 -0.445) 19.734 2.664 ( -9.061 3.265 -10.191) 14.022 2.825 ( 8.386 -6.743 -12.017) 16.131 2.909 ( 1.040 3.168 -4.119) 5.300 3.107 ( -7.241 0.490 6.224) 9.561 3.191 ( 2.648 -4.299 -0.188) 5.052 3.646 ( 1.727 3.901 3.360) 5.430 3.744 ( 3.002 -5.658 5.547) 8.473 3.950 ( -10.148 3.500 7.611) 13.159 4.002 ( 3.500 -1.412 8.084) 8.922 4.163 ( -6.648 3.015 4.694) 8.679 4.350 ( -3.907 -1.869 -0.997) 4.444 4.453 ( 2.748 -3.286 -1.813) 4.651 4.624 ( -1.007 -1.692 -1.156) 2.283 4.802 ( 1.160 -1.834 1.161) 2.462 4.854 ( 2.244 -1.028 8.391) 8.746 4.943 ( -7.598 4.316 2.236) 9.020 5.040 ( 6.931 2.062 -0.613) 7.257 5.108 ( 0.427 -17.870 5.889) 18.820 5.367 ( 5.793 2.548 -2.493) 6.802 5.522 ( 2.111 1.233 1.047) 2.659 5.612 ( -2.051 -2.874 -3.070) 4.679 5.696 ( -2.361 -5.898 -4.630) 7.861 5.790 ( 1.744 2.008 -6.270) 6.810 5.949 ( -3.370 -0.929 2.468) 4.279 6.046 ( -1.612 1.534 -3.246) 3.936 6.067 ( 0.798 1.366 -1.470) 2.160 6.330 ( 2.701 -1.486 -3.737) 4.844 6.525 ( 1.625 -2.664 -3.685) 4.828 6.586 ( 0.609 -0.308 -1.234) 1.410 6.717 ( 0.554 -2.043 2.598) 3.351 6.832 ( 0.773 -0.212 2.570) 2.692 6.918 ( -0.545 1.956 1.932) 2.802 6.958 ( 1.169 5.904 -0.332) 6.028 7.218 ( -4.377 5.705 -5.445) 9.019 7.301 ( -1.199 0.352 3.208) 3.442 7.482 ( -4.179 3.695 -3.462) 6.566 7.661 ( 9.593 2.165 -2.884) 10.248 7.694 ( -2.156 -1.800 5.409) 6.095 7.769 ( -3.865 -1.692 1.611) 4.517 8.039 ( 3.970 2.685 -7.478) 8.881 8.102 ( 0.468 1.207 0.098) 1.299 8.132 ( 0.875 4.057 1.548) 4.430 8.355 ( 2.849 -0.991 -1.124) 3.219 8.443 ( -3.941 0.049 -0.027) 3.942 8.673 ( -6.047 -6.671 -1.379) 9.109 8.986 ( 1.028 1.910 -5.411) 5.830 9.269 ( -0.158 3.949 0.420) 3.975 9.477 ( 7.928 -7.723 3.167) 11.512 9.493 ( 0.773 0.243 6.153) 6.206 9.959 ( 2.373 0.116 4.920) 5.463 10.054 ( 6.792 0.571 3.373) 7.605 10.169 ( -4.552 -4.095 -2.136) 6.485 10.286 ( -0.226 1.038 -2.974) 3.158 10.448 ( 0.260 4.672 -1.017) 4.789 10.530 ( 0.014 0.314 2.186) 2.209 10.630 ( -6.632 2.700 -0.592) 7.185 10.722 ( 2.735 -1.757 -1.726) 3.681 11.002 ( -2.310 -0.731 -4.001) 4.677 11.294 ( -1.059 1.961 3.240) 3.933 11.405 ( 0.967 -2.603 8.138) 8.599 11.541 ( -4.651 -4.519 -5.277) 8.361 11.621 ( -0.655 -1.331 2.484) 2.893 11.766 ( 0.549 -3.213 2.058) 3.855 11.946 ( 0.109 -0.393 1.362) 1.422 12.019 ( 2.875 -2.537 -1.370) 4.072 12.259 ( -1.005 1.722 -0.891) 2.184 12.557 ( 6.965 -5.236 1.885) 8.915 12.677 ( 1.082 1.360 2.199) 2.803 12.898 ( -5.978 1.363 -4.380) 7.535 13.021 ( -2.740 2.979 2.915) 4.988 13.389 ( -1.780 5.591 -8.102) 10.004 13.609 ( -1.890 2.354 7.114) 7.728 13.906 ( 1.452 -1.794 -3.669) 4.335 13.992 ( -5.768 3.708 5.262) 8.644 14.129 ( -1.083 -0.712 -0.224) 1.316 14.424 ( -4.207 3.570 1.544) 5.729 14.705 ( 10.521 2.806 -9.026) 14.144 14.764 ( 0.011 4.054 -2.829) 4.944 15.143 ( 5.426 -1.258 -6.255) 8.375 15.371 ( 1.623 -3.047 -2.934) 4.531 18.446 ( -1.013 1.313 0.781) 1.833 18.933 ( -1.263 -5.577 5.101) 7.663 19.099 ( -4.624 -0.029 3.817) 5.996 19.823 ( 6.831 -9.690 -4.482) 12.674 19.936 ( -6.219 -0.698 9.486) 11.364 20.412 ( 5.602 8.566 -3.308) 10.756 ======================= Grid point 152 (77/116) ======================= q-point: (-0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 10.087 -8.935 -3.667) 13.965 1.818 ( 4.889 -1.402 -12.145) 13.167 2.085 ( -14.232 14.760 7.491) 21.830 2.251 ( -9.864 14.549 12.775) 21.730 2.512 ( -0.352 -0.749 -4.140) 4.222 2.842 ( -3.059 -2.086 -2.032) 4.224 2.991 ( 12.996 -8.491 -10.208) 18.579 3.108 ( -2.434 -0.451 6.664) 7.109 3.316 ( 0.620 -7.569 -2.757) 8.079 3.560 ( 4.737 12.845 2.391) 13.897 3.809 ( -13.170 16.151 10.197) 23.201 3.918 ( -3.477 -0.450 7.134) 7.949 4.010 ( -4.471 -0.858 11.689) 12.544 4.157 ( 1.278 -2.071 6.325) 6.777 4.247 ( -11.724 -3.252 2.688) 12.460 4.506 ( 1.915 1.111 -3.429) 4.082 4.573 ( 3.948 4.361 -3.683) 6.940 4.845 ( 1.379 -0.760 3.111) 3.486 4.891 ( 3.490 2.051 -2.048) 4.537 4.996 ( -5.204 -9.104 4.705) 11.493 5.133 ( 5.272 -1.665 2.103) 5.915 5.278 ( -1.606 4.178 -7.182) 8.463 5.323 ( 0.430 -6.911 -4.037) 8.015 5.516 ( -0.779 3.236 -2.348) 4.073 5.625 ( 1.800 1.384 -3.566) 4.227 5.675 ( -2.534 1.606 1.758) 3.477 5.758 ( -1.332 -4.216 3.950) 5.929 5.914 ( -1.144 -0.953 2.113) 2.585 6.000 ( 6.464 -1.775 -12.808) 14.456 6.111 ( 1.106 -5.734 -1.025) 5.929 6.327 ( 2.843 2.733 -2.187) 4.510 6.491 ( 2.289 1.028 -3.479) 4.290 6.705 ( -5.892 -4.339 4.525) 8.603 6.743 ( 2.971 8.070 0.549) 8.617 6.783 ( 4.393 3.117 3.756) 6.566 6.823 ( -4.104 8.248 -1.890) 9.404 6.978 ( 1.951 -2.277 0.591) 3.057 7.046 ( -7.269 -1.264 0.364) 7.387 7.348 ( 0.239 -4.115 1.660) 4.444 7.434 ( 1.491 -3.192 -1.575) 3.859 7.669 ( -5.931 1.156 3.256) 6.864 7.750 ( 5.098 0.401 -4.654) 6.914 7.806 ( 4.511 -6.592 -1.513) 8.129 8.039 ( 5.521 3.159 -3.151) 7.099 8.111 ( -0.355 -1.823 0.124) 1.862 8.162 ( 5.953 -2.214 4.272) 7.654 8.351 ( 2.403 1.636 -6.175) 6.825 8.487 ( 2.327 -6.457 -1.124) 6.955 8.675 ( -5.115 -6.492 -3.389) 8.932 8.916 ( 2.009 5.629 -1.922) 6.278 9.237 ( 1.376 2.949 2.337) 4.007 9.491 ( -3.836 2.466 3.709) 5.879 9.694 ( 3.752 -7.828 -1.768) 8.859 10.002 ( 3.032 3.411 3.094) 5.514 10.107 ( -1.889 -0.631 -0.464) 2.045 10.146 ( -2.040 -0.526 2.613) 3.357 10.227 ( -4.107 3.088 -0.033) 5.139 10.402 ( -0.957 0.450 0.152) 1.068 10.449 ( -4.997 2.491 -0.359) 5.595 10.615 ( 5.319 -0.852 0.039) 5.387 10.742 ( 0.853 2.770 -0.846) 3.020 10.951 ( -1.807 0.567 -1.173) 2.228 11.293 ( 1.126 1.907 3.635) 4.257 11.490 ( -3.213 -3.453 -2.418) 5.300 11.517 ( -3.422 -1.949 5.581) 6.831 11.616 ( -3.453 1.437 1.681) 4.100 11.806 ( -1.003 -0.887 0.704) 1.513 11.922 ( -1.990 1.444 -1.363) 2.811 12.087 ( 3.317 -2.994 -2.415) 5.080 12.237 ( 2.650 2.915 0.391) 3.959 12.632 ( -2.323 2.332 -0.746) 3.375 12.691 ( -1.608 0.163 -1.086) 1.947 12.822 ( -1.093 0.334 2.836) 3.057 12.954 ( 0.038 0.580 3.263) 3.314 13.252 ( -1.661 3.409 -2.227) 4.398 13.583 ( 1.096 7.286 6.163) 9.606 13.964 ( -1.107 -4.245 -1.883) 4.774 13.998 ( 1.219 -4.124 2.894) 5.183 14.127 ( -0.624 -1.202 -0.031) 1.355 14.355 ( -3.720 1.228 2.862) 4.852 14.671 ( 6.901 4.654 -5.619) 10.043 14.751 ( 1.160 -3.362 -3.204) 4.787 15.186 ( 8.019 -1.496 -7.912) 11.364 15.392 ( 1.694 -1.204 -3.865) 4.388 18.426 ( -1.279 0.791 1.220) 1.936 18.949 ( -12.288 -4.026 6.866) 14.641 19.128 ( 5.695 1.704 -0.175) 5.947 19.842 ( 0.702 3.596 -5.706) 6.781 20.087 ( -2.314 -9.933 8.629) 13.359 20.320 ( 4.435 6.644 -4.327) 9.085 ======================= Grid point 153 (78/116) ======================= q-point: (-0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -6.185 4.417 7.670) 10.798 1.818 ( 10.449 -14.836 3.615) 18.503 1.947 ( -10.830 -1.323 15.047) 18.587 2.107 ( 2.507 4.930 1.555) 5.745 2.590 ( 2.259 -5.562 2.806) 6.627 2.856 ( 0.330 -2.683 0.095) 2.705 3.114 ( 3.254 2.412 1.621) 4.363 3.174 ( 0.022 -4.393 1.624) 4.683 3.363 ( -2.668 -8.541 -1.310) 9.043 3.389 ( -9.233 21.301 9.658) 25.145 3.575 ( 2.991 5.366 10.696) 12.334 3.908 ( -5.577 3.797 5.073) 8.441 4.065 ( -0.157 3.432 3.579) 4.961 4.162 ( -2.177 2.947 4.498) 5.801 4.343 ( -0.556 -7.402 7.037) 10.228 4.434 ( -0.824 -4.378 -9.997) 10.945 4.564 ( 5.919 5.702 -1.039) 8.284 4.855 ( -3.311 0.402 -1.833) 3.806 4.869 ( -1.445 -1.813 -1.981) 3.049 5.049 ( -4.536 -0.436 0.924) 4.649 5.140 ( -3.868 -2.074 -5.309) 6.888 5.158 ( -5.855 3.335 -0.099) 6.740 5.296 ( -2.392 0.826 -5.098) 5.692 5.339 ( 1.068 3.434 -11.284) 11.843 5.572 ( 5.451 8.647 2.102) 10.436 5.720 ( 2.466 5.530 -0.782) 6.105 5.798 ( -2.022 -0.155 4.861) 5.267 6.021 ( 6.855 -4.772 0.014) 8.353 6.079 ( 5.810 -10.737 -9.033) 15.187 6.206 ( 2.001 -3.114 -0.987) 3.830 6.310 ( -2.109 3.145 6.748) 7.738 6.377 ( 4.389 6.998 -6.707) 10.641 6.626 ( -7.096 -0.047 2.291) 7.457 6.667 ( -2.483 6.820 2.311) 7.617 6.752 ( 0.890 6.838 1.573) 7.073 6.823 ( 0.152 -6.658 3.415) 7.484 7.034 ( 3.872 -6.616 -5.439) 9.399 7.141 ( -0.199 -7.358 8.634) 11.346 7.412 ( -1.272 -3.469 -0.091) 3.696 7.554 ( 4.327 -7.048 1.258) 8.365 7.626 ( -3.261 -1.282 -0.708) 3.575 7.757 ( 4.760 0.546 -3.986) 6.232 7.942 ( 8.783 -3.926 -4.844) 10.772 8.030 ( 0.398 0.525 -1.824) 1.939 8.146 ( -0.565 -2.700 3.577) 4.517 8.269 ( -0.058 0.288 2.921) 2.936 8.379 ( 10.242 -2.777 -5.135) 11.788 8.580 ( 2.804 -3.064 -5.050) 6.539 8.701 ( -1.705 -8.124 -2.324) 8.620 8.843 ( 1.052 5.497 0.311) 5.605 9.265 ( 5.083 1.484 2.820) 6.000 9.405 ( -6.409 1.227 -1.292) 6.652 9.711 ( -6.845 -1.270 -6.324) 9.405 9.948 ( -3.612 6.168 1.997) 7.422 10.015 ( -8.710 6.904 -2.103) 11.312 10.129 ( 1.988 -3.133 -4.110) 5.537 10.184 ( -0.526 0.925 2.852) 3.044 10.408 ( -1.512 -2.062 7.311) 7.745 10.470 ( 1.212 -3.299 1.963) 4.026 10.659 ( -1.035 4.715 -2.351) 5.369 10.705 ( 6.949 0.780 1.749) 7.208 10.911 ( -0.721 3.459 1.097) 3.700 11.334 ( 1.518 -0.024 4.606) 4.849 11.441 ( -8.255 -1.367 -0.545) 8.386 11.519 ( -4.350 -0.200 0.726) 4.415 11.548 ( -2.537 2.749 1.564) 4.055 11.784 ( -1.268 1.817 -0.892) 2.389 11.860 ( -1.644 1.925 -1.611) 3.001 12.135 ( 2.705 -1.475 -2.372) 3.888 12.227 ( 4.693 5.567 0.331) 7.288 12.486 ( -9.375 1.386 -2.396) 9.775 12.650 ( -4.102 2.012 2.419) 5.169 12.808 ( 1.854 1.305 1.086) 2.514 13.136 ( 7.555 -3.587 2.969) 8.875 13.220 ( 1.888 -2.903 4.660) 5.806 13.572 ( 5.173 6.317 6.299) 10.313 13.979 ( -2.123 -2.941 -1.347) 3.870 14.066 ( -2.427 -3.597 1.421) 4.567 14.169 ( -2.165 -0.738 6.436) 6.830 14.346 ( 2.401 0.205 -1.309) 2.742 14.700 ( 9.993 -1.815 -5.431) 11.517 14.807 ( -2.463 -7.416 0.085) 7.815 15.224 ( 7.458 0.707 -7.176) 10.375 15.378 ( 1.226 0.358 -4.594) 4.768 18.411 ( -2.464 0.015 2.089) 3.231 18.935 ( -9.832 -4.571 5.678) 12.240 19.120 ( 2.040 4.619 -3.385) 6.079 19.676 ( 0.733 11.008 -7.518) 13.350 20.230 ( -7.115 -7.776 6.432) 12.347 20.282 ( 4.634 1.084 -3.640) 5.992 ======================= Grid point 154 (79/116) ======================= q-point: (-0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -8.048 2.510 22.701) 24.216 1.979 ( -5.967 4.093 28.020) 28.939 2.205 ( 2.033 -18.282 -0.086) 18.395 2.283 ( 13.296 -12.991 -4.500) 19.126 2.701 ( 3.709 -4.394 -0.788) 5.804 2.909 ( 1.323 2.475 6.521) 7.099 2.989 ( -5.643 15.397 15.078) 22.277 3.183 ( 3.359 7.515 1.886) 8.445 3.352 ( 1.782 -10.665 6.136) 12.432 3.507 ( -2.433 -9.356 1.200) 9.741 3.617 ( 2.680 4.967 4.611) 7.288 3.767 ( -7.367 5.370 4.418) 10.131 3.982 ( 0.640 8.012 -2.165) 8.324 4.067 ( -0.871 10.940 2.024) 11.159 4.418 ( 2.658 1.554 -5.514) 6.316 4.529 ( -4.296 -8.103 4.461) 10.199 4.574 ( -1.167 -10.421 -3.133) 10.945 4.723 ( -11.131 1.795 1.661) 11.397 4.882 ( 3.224 -2.813 -4.666) 6.330 4.930 ( -10.469 8.445 -0.545) 13.461 4.994 ( -1.251 0.460 -5.846) 5.996 5.118 ( 6.010 0.556 -7.541) 9.659 5.180 ( -4.737 0.445 -4.749) 6.722 5.329 ( 2.727 -3.275 -4.129) 5.933 5.524 ( 7.685 4.992 -5.038) 10.457 5.587 ( -1.198 7.864 -2.019) 8.207 5.756 ( -2.035 8.782 4.260) 9.970 6.148 ( 2.132 -4.195 -5.261) 7.058 6.181 ( 3.060 0.984 -3.634) 4.851 6.190 ( 5.978 -2.054 0.802) 6.372 6.342 ( -3.151 -3.052 4.478) 6.269 6.440 ( 2.745 -3.629 2.281) 5.090 6.542 ( -1.272 1.702 -1.025) 2.360 6.613 ( -1.108 3.577 4.908) 6.174 6.653 ( -1.903 6.367 2.552) 7.118 6.933 ( 1.384 -4.348 -5.017) 6.782 7.245 ( 7.188 -12.335 1.798) 14.390 7.296 ( -2.587 -4.595 7.355) 9.050 7.413 ( -1.767 -0.869 -0.070) 1.971 7.591 ( 2.575 2.555 -4.087) 5.465 7.704 ( 1.831 -3.413 0.686) 3.933 7.784 ( 2.123 -2.573 -2.835) 4.377 8.041 ( -2.774 -6.591 -0.152) 7.153 8.061 ( 9.278 -3.937 -3.242) 10.588 8.219 ( 2.586 -1.445 0.560) 3.015 8.304 ( 1.293 0.777 6.375) 6.551 8.449 ( 5.064 0.971 -4.715) 6.987 8.548 ( 1.432 1.877 -6.848) 7.243 8.800 ( -3.319 -5.485 3.074) 7.110 8.811 ( 4.349 1.735 -1.118) 4.814 9.310 ( -5.819 -1.524 -2.164) 6.393 9.367 ( 9.034 -1.492 -0.810) 9.192 9.489 ( -14.070 4.168 -4.297) 15.291 9.759 ( -8.175 6.067 -4.895) 11.296 9.826 ( -7.958 6.002 3.358) 10.518 10.118 ( 3.761 0.288 -8.950) 9.712 10.242 ( 1.753 -3.188 4.041) 5.437 10.470 ( -3.262 4.202 7.763) 9.411 10.555 ( 0.648 -3.629 2.751) 4.600 10.612 ( -0.199 -3.761 -0.444) 3.793 10.793 ( 8.686 2.269 2.966) 9.455 10.848 ( -0.518 5.451 1.154) 5.596 11.331 ( -9.373 1.733 4.535) 10.556 11.389 ( -0.359 -0.457 2.285) 2.357 11.464 ( -1.801 2.270 -0.423) 2.928 11.532 ( -1.687 -4.523 -1.451) 5.041 11.717 ( -0.718 3.765 -0.651) 3.888 11.788 ( -2.330 2.141 -2.441) 3.997 12.127 ( -0.059 4.952 2.795) 5.687 12.233 ( 6.073 0.338 -1.228) 6.205 12.394 ( -6.512 -4.025 -1.629) 7.826 12.566 ( -5.784 3.648 0.894) 6.897 12.832 ( 2.393 0.562 1.409) 2.833 13.160 ( 2.806 0.570 -4.553) 5.379 13.461 ( 2.505 -3.587 9.224) 10.209 13.709 ( 20.450 -0.903 3.530) 20.772 13.990 ( -1.235 -3.337 -0.765) 3.640 14.075 ( -6.576 -1.630 2.427) 7.197 14.183 ( -3.878 0.361 6.748) 7.792 14.366 ( 6.690 1.667 -4.002) 7.972 14.845 ( 8.450 -4.504 -2.309) 9.850 14.903 ( -3.159 -10.292 0.289) 10.770 15.209 ( 4.479 4.674 -3.629) 7.421 15.330 ( -0.488 1.190 -4.718) 4.890 18.411 ( -1.749 -0.912 2.686) 3.332 18.828 ( -9.831 3.526 -9.244) 13.948 19.060 ( -4.892 1.396 9.901) 11.131 19.490 ( 5.048 7.549 -7.849) 12.003 20.246 ( -13.816 -3.463 8.222) 16.446 20.327 ( 7.651 -1.057 -4.239) 8.811 ======================= Grid point 156 (80/116) ======================= q-point: ( 0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -18.728 -0.000 -1.037) 18.756 2.433 ( 11.630 0.000 -14.710) 18.752 2.519 ( 16.815 0.000 13.322) 21.453 2.638 ( -0.909 -0.000 -10.737) 10.776 2.840 ( -3.305 -0.000 -10.746) 11.243 2.877 ( 4.592 0.000 12.904) 13.696 3.047 ( -2.377 -0.000 -0.684) 2.473 3.288 ( 1.875 0.000 -6.460) 6.727 3.433 ( -4.131 -0.000 -4.504) 6.111 3.590 ( -3.970 -0.000 6.759) 7.839 3.627 ( -1.081 -0.000 -1.279) 1.674 3.810 ( -4.538 -0.000 9.751) 10.756 3.939 ( 9.622 0.000 0.593) 9.641 4.109 ( 2.788 0.000 -1.927) 3.389 4.198 ( -6.995 -0.000 7.245) 10.071 4.284 ( -2.831 -0.000 11.165) 11.518 4.323 ( -11.323 -0.000 9.090) 14.520 4.547 ( -5.562 -0.000 2.606) 6.143 4.774 ( -4.799 -0.000 7.148) 8.610 4.869 ( 3.659 0.000 -3.682) 5.191 5.060 ( 8.401 0.000 -17.710) 19.601 5.171 ( 3.909 0.000 -7.474) 8.435 5.322 ( 3.484 0.000 14.391) 14.807 5.480 ( 13.270 0.000 -7.649) 15.316 5.509 ( 11.651 0.000 -4.763) 12.587 5.527 ( 5.927 0.000 -6.889) 9.088 5.874 ( -11.234 -0.000 1.185) 11.296 5.922 ( 2.930 0.000 5.424) 6.165 6.092 ( 3.760 0.000 -4.367) 5.762 6.345 ( -4.709 -0.000 -10.002) 11.055 6.361 ( 0.062 0.000 6.316) 6.317 6.493 ( -1.660 -0.000 -3.562) 3.930 6.506 ( -4.943 -0.000 8.826) 10.116 6.609 ( 1.687 0.000 2.135) 2.721 6.731 ( 0.894 0.000 0.518) 1.033 6.809 ( 1.014 0.000 -6.480) 6.559 7.226 ( -9.024 -0.000 8.348) 12.293 7.304 ( -6.347 -0.000 5.383) 8.322 7.467 ( 0.466 0.000 -3.793) 3.821 7.469 ( -4.455 -0.000 -5.130) 6.795 7.752 ( 1.952 0.000 -2.627) 3.273 7.837 ( 2.565 0.000 -2.138) 3.339 8.067 ( -2.102 -0.000 8.707) 8.957 8.074 ( -7.226 -0.000 -6.523) 9.735 8.254 ( -2.809 -0.000 1.383) 3.131 8.277 ( 0.034 0.000 -5.912) 5.912 8.377 ( -1.289 -0.000 -3.158) 3.411 8.507 ( -0.531 -0.000 2.973) 3.020 8.609 ( -7.543 -0.000 -5.202) 9.163 8.877 ( -9.898 -0.000 3.937) 10.653 9.151 ( -1.786 -0.000 5.587) 5.866 9.403 ( 12.398 0.000 -3.375) 12.850 9.605 ( 9.820 0.000 -1.347) 9.912 9.627 ( 2.142 0.000 8.364) 8.634 9.948 ( 12.055 0.000 -0.132) 12.055 10.037 ( 4.076 0.000 -5.046) 6.487 10.296 ( -3.480 -0.000 -2.319) 4.182 10.601 ( 5.214 0.000 1.404) 5.400 10.602 ( -7.434 -0.000 7.183) 10.338 10.664 ( -0.500 -0.000 -3.026) 3.067 10.702 ( -2.032 -0.000 2.363) 3.117 10.975 ( 3.342 0.000 -10.563) 11.079 11.248 ( -2.118 -0.000 8.202) 8.472 11.410 ( -2.957 -0.000 1.894) 3.511 11.434 ( -2.612 -0.000 5.654) 6.229 11.489 ( 5.099 0.000 -2.789) 5.812 11.648 ( 0.089 0.000 1.107) 1.111 11.870 ( 4.992 0.000 -2.665) 5.659 12.027 ( -5.532 -0.000 5.878) 8.072 12.234 ( -3.758 -0.000 -5.600) 6.744 12.463 ( 5.528 0.000 6.103) 8.235 12.540 ( 8.170 0.000 -0.207) 8.173 12.997 ( 0.996 0.000 3.965) 4.088 13.022 ( -0.755 -0.000 -8.139) 8.174 13.480 ( -7.355 -0.000 4.592) 8.671 13.819 ( -2.810 -0.000 -9.105) 9.529 13.838 ( -6.600 -0.000 1.717) 6.820 14.162 ( -4.001 -0.000 2.357) 4.643 14.428 ( 4.563 0.000 -5.608) 7.230 14.544 ( 11.862 0.000 -6.930) 13.738 14.773 ( -3.501 -0.000 -3.896) 5.238 14.900 ( -5.780 -0.000 2.607) 6.341 15.156 ( 0.865 0.000 -4.321) 4.407 15.221 ( -1.179 -0.000 0.971) 1.527 18.500 ( 2.589 0.000 2.537) 3.625 18.642 ( 6.675 0.000 6.073) 9.024 19.060 ( -8.093 -0.000 6.284) 10.246 19.503 ( 9.418 0.000 -9.842) 13.622 19.988 ( -12.433 -0.000 9.894) 15.890 20.561 ( 7.222 0.000 -1.648) 7.408 ======================= Grid point 157 (81/116) ======================= q-point: ( 0.29 0.14 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -12.292 6.028 0.236) 13.692 2.210 ( -6.980 11.843 -14.608) 20.059 2.574 ( 7.019 -1.698 -15.621) 17.209 2.611 ( -2.440 -4.404 -12.434) 13.415 2.845 ( 13.286 9.505 6.272) 17.499 3.005 ( 3.251 3.059 -8.086) 9.236 3.090 ( 7.100 1.827 7.869) 10.755 3.146 ( -4.517 4.942 -1.431) 6.846 3.245 ( -4.906 13.391 -1.415) 14.331 3.457 ( -2.906 -4.396 -6.726) 8.545 3.722 ( 0.726 -3.290 5.225) 6.217 3.939 ( -8.216 -4.023 14.045) 16.761 4.046 ( 0.121 2.144 5.650) 6.045 4.168 ( 0.885 -7.755 3.874) 8.714 4.241 ( -2.035 -4.630 -2.777) 5.770 4.283 ( 5.696 2.724 4.786) 7.922 4.414 ( -5.443 -13.857 7.350) 16.603 4.606 ( -2.070 -5.085 4.432) 7.056 4.769 ( -2.886 0.183 2.533) 3.844 4.870 ( 2.779 3.522 5.452) 7.060 5.033 ( 4.019 -3.630 -10.040) 11.408 5.216 ( 7.244 -2.858 -5.134) 9.328 5.369 ( 2.874 7.274 6.851) 10.398 5.499 ( -5.382 -0.901 -2.394) 5.959 5.596 ( 8.141 -1.122 -4.428) 9.335 5.636 ( 7.252 -0.359 -1.888) 7.503 5.846 ( 6.856 0.662 0.075) 6.889 5.971 ( -0.325 0.253 0.890) 0.981 6.019 ( -4.197 3.298 2.053) 5.719 6.227 ( 3.610 1.232 -10.585) 11.251 6.349 ( -1.331 8.378 -2.660) 8.890 6.449 ( -1.359 -3.822 0.014) 4.057 6.539 ( -1.793 -2.820 7.220) 7.956 6.673 ( -4.046 -2.494 1.772) 5.072 6.724 ( 1.946 -0.734 -1.142) 2.373 6.821 ( 0.806 -5.073 -2.598) 5.756 7.162 ( -6.407 3.810 4.450) 8.681 7.280 ( -7.040 -0.250 4.372) 8.291 7.390 ( 2.592 0.318 -2.191) 3.409 7.478 ( -0.968 -5.347 -5.949) 8.057 7.681 ( -3.079 7.522 -0.114) 8.129 7.804 ( 2.426 3.353 -1.537) 4.415 7.893 ( -4.590 7.024 -3.182) 8.974 8.095 ( -3.931 0.431 1.749) 4.324 8.145 ( -1.843 2.336 -7.618) 8.178 8.268 ( -0.909 0.852 3.304) 3.531 8.325 ( -2.386 0.046 0.387) 2.418 8.455 ( -7.973 1.122 -1.597) 8.209 8.575 ( 1.071 -0.746 0.560) 1.420 8.836 ( -8.208 -7.701 2.319) 11.491 9.239 ( 1.146 -4.809 6.176) 7.911 9.428 ( 7.421 4.623 -8.457) 12.164 9.641 ( 5.671 6.137 6.869) 10.817 9.860 ( 7.677 -6.243 6.232) 11.694 10.041 ( 1.146 -1.244 -4.698) 4.994 10.081 ( 7.526 -0.525 -1.028) 7.614 10.265 ( -1.292 -2.597 -1.529) 3.279 10.556 ( -4.953 1.634 -0.388) 5.230 10.561 ( -4.663 1.336 4.840) 6.853 10.673 ( 1.511 0.756 -2.891) 3.349 10.715 ( 2.780 2.104 -0.287) 3.498 10.943 ( 2.353 -2.927 -8.363) 9.167 11.322 ( 1.160 -0.212 8.891) 8.969 11.379 ( -1.787 1.778 4.357) 5.033 11.451 ( -4.216 -2.245 0.588) 4.813 11.577 ( 6.431 -1.675 1.496) 6.811 11.684 ( 1.957 -1.687 1.456) 2.966 11.895 ( 1.758 -1.714 -0.997) 2.650 12.032 ( -0.398 1.649 3.978) 4.324 12.176 ( -4.017 -4.075 -4.351) 7.189 12.546 ( 7.441 3.257 4.136) 9.115 12.663 ( 4.275 -2.679 1.234) 5.194 12.928 ( -2.831 0.709 -6.488) 7.114 13.041 ( -0.184 -0.596 2.823) 2.891 13.459 ( 0.036 -1.327 -1.458) 1.972 13.645 ( -5.775 3.900 -4.673) 8.390 13.806 ( -5.796 -3.655 -1.535) 7.022 14.123 ( -4.381 0.198 1.411) 4.606 14.314 ( -5.878 10.843 1.110) 12.384 14.520 ( -2.241 2.956 -1.570) 4.029 14.748 ( 13.547 1.202 -13.565) 19.208 14.871 ( -5.598 -1.024 1.484) 5.881 15.133 ( 3.538 0.923 -4.716) 5.968 15.233 ( -2.767 -4.020 0.495) 4.905 18.551 ( 6.114 4.387 1.975) 7.780 18.806 ( 4.046 -3.172 6.723) 8.464 19.032 ( -8.599 -3.078 7.735) 11.969 19.575 ( 10.769 -5.327 -10.170) 15.741 19.930 ( -10.715 0.097 9.488) 14.313 20.596 ( 4.912 3.445 -2.253) 6.408 ======================= Grid point 158 (82/116) ======================= q-point: ( 0.43 0.14 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -2.761 3.485 0.244) 4.453 1.871 ( -0.347 7.850 -14.122) 16.161 2.500 ( -4.194 -2.681 -9.822) 11.012 2.515 ( -2.525 5.347 -10.941) 12.437 2.695 ( -3.532 7.262 -3.019) 8.621 2.846 ( 0.857 19.009 -1.001) 19.055 2.959 ( 4.843 5.470 -7.113) 10.196 3.153 ( 2.178 2.116 2.226) 3.765 3.217 ( 3.049 1.825 6.449) 7.363 3.596 ( 5.313 -13.414 -4.008) 14.974 3.797 ( 1.917 -0.165 4.131) 4.557 3.994 ( -9.850 0.901 13.977) 17.123 4.074 ( -2.712 -1.537 9.413) 9.916 4.168 ( -10.009 -2.167 2.379) 10.514 4.230 ( 1.907 4.241 2.100) 5.102 4.444 ( 9.018 -4.572 -2.524) 10.421 4.631 ( 0.968 0.792 -1.312) 1.812 4.684 ( -3.388 -15.442 2.351) 15.983 4.808 ( 3.564 -4.813 0.682) 6.028 4.957 ( -1.770 4.259 -5.927) 7.511 4.985 ( -2.730 -5.975 12.233) 13.885 5.271 ( 6.672 7.058 4.650) 10.769 5.359 ( -6.112 -0.039 -5.575) 8.273 5.441 ( -1.004 -5.967 0.928) 6.122 5.608 ( 0.939 5.341 -0.086) 5.424 5.695 ( 11.268 -1.873 -4.393) 12.238 5.874 ( 4.477 5.941 -0.013) 7.439 5.935 ( -2.395 0.021 3.131) 3.942 6.052 ( 2.028 3.905 -1.459) 4.636 6.126 ( 1.013 6.224 -5.069) 8.091 6.275 ( 1.570 -4.922 -0.387) 5.181 6.456 ( -0.211 -3.503 -4.594) 5.782 6.575 ( -3.529 2.686 -0.931) 4.532 6.708 ( 5.628 -6.618 0.570) 8.706 6.828 ( 3.455 -5.720 1.313) 6.810 6.877 ( -1.305 -2.594 1.697) 3.363 7.058 ( -3.395 4.798 0.661) 5.915 7.233 ( -4.427 1.277 0.545) 4.639 7.336 ( -2.026 8.086 -3.021) 8.866 7.451 ( -2.410 3.894 -1.574) 4.842 7.604 ( 0.860 -5.606 -1.348) 5.830 7.733 ( -8.868 3.625 2.044) 9.796 7.780 ( 2.644 2.674 0.324) 3.774 8.024 ( 3.476 -1.663 -7.110) 8.087 8.080 ( -2.518 -0.882 -2.648) 3.759 8.221 ( -1.652 4.869 0.416) 5.158 8.334 ( -2.512 -3.122 1.642) 4.331 8.389 ( -2.351 -0.299 -0.606) 2.446 8.567 ( -2.912 -0.125 1.588) 3.320 8.915 ( -0.912 -6.744 1.428) 6.954 9.348 ( 4.671 4.444 -3.687) 7.427 9.416 ( 1.749 -6.835 2.435) 7.463 9.658 ( 1.998 5.844 4.217) 7.478 9.988 ( -2.970 -2.188 -2.332) 4.364 10.067 ( 3.274 -3.293 3.283) 5.687 10.136 ( -0.158 -0.665 -0.022) 0.684 10.277 ( 0.550 0.307 -0.332) 0.712 10.466 ( -3.374 2.549 -0.045) 4.230 10.541 ( -1.360 0.346 1.936) 2.391 10.633 ( 0.863 3.672 -4.821) 6.121 10.718 ( 3.136 -1.484 -0.038) 3.470 10.945 ( 1.471 -0.509 -3.751) 4.061 11.371 ( -0.900 1.643 3.842) 4.274 11.410 ( -0.133 -1.323 -0.224) 1.348 11.471 ( 1.327 -1.198 8.168) 8.361 11.651 ( 1.696 1.692 2.852) 3.725 11.765 ( 2.912 -1.826 1.750) 3.856 11.956 ( 1.309 -2.208 0.798) 2.688 12.015 ( -0.617 1.291 -0.238) 1.451 12.181 ( -1.506 -5.457 -1.682) 5.905 12.653 ( 8.225 -0.146 2.604) 8.628 12.706 ( 0.002 0.601 -0.338) 0.690 12.821 ( -4.824 1.431 -2.306) 5.535 13.038 ( -2.651 1.537 0.641) 3.131 13.382 ( -0.757 4.946 -7.243) 8.803 13.631 ( 2.269 -4.778 3.088) 6.125 13.784 ( -4.407 -5.618 -3.400) 7.909 14.076 ( -4.924 3.872 2.704) 6.823 14.103 ( -4.647 5.505 2.938) 7.780 14.424 ( -4.893 2.665 -0.340) 5.582 14.754 ( 6.246 2.616 -8.531) 10.892 14.813 ( 1.988 2.853 -4.217) 5.466 15.142 ( 6.340 -0.638 -6.194) 8.887 15.273 ( -2.670 -5.866 -1.033) 6.528 18.555 ( 6.875 7.140 0.557) 9.928 18.861 ( -7.582 -1.224 5.720) 9.576 19.125 ( 0.556 -3.646 8.797) 9.539 19.729 ( 9.790 -8.861 -8.056) 15.468 19.897 ( -9.663 -1.827 8.429) 12.953 20.537 ( 2.017 6.420 -4.269) 7.969 ======================= Grid point 159 (83/116) ======================= q-point: (-0.43 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 4.596 -3.962 -1.419) 6.231 1.749 ( 6.770 -0.599 -12.992) 14.662 2.221 ( -10.037 14.615 2.641) 17.925 2.379 ( -2.393 4.841 3.587) 6.483 2.618 ( -0.283 12.974 3.924) 13.557 2.685 ( -4.307 -8.293 0.905) 9.388 2.967 ( 12.123 -3.337 -11.286) 16.896 3.159 ( 0.570 -3.215 -1.692) 3.678 3.230 ( -0.752 6.930 2.599) 7.440 3.744 ( 3.334 -5.245 -6.116) 8.720 3.893 ( 2.748 -4.089 3.693) 6.158 3.940 ( -4.374 6.946 11.572) 14.188 4.051 ( -10.921 2.289 7.675) 13.543 4.159 ( -3.021 1.482 6.342) 7.179 4.282 ( 5.954 4.620 6.527) 9.970 4.418 ( -8.217 1.914 -3.424) 9.105 4.641 ( 5.564 -2.491 -2.129) 6.457 4.742 ( -7.159 -6.477 -4.397) 10.608 4.880 ( -3.008 0.146 3.697) 4.768 4.972 ( -0.149 -8.306 3.189) 8.898 5.138 ( 3.364 5.440 4.870) 8.039 5.200 ( -4.909 2.756 -5.665) 7.986 5.342 ( 4.360 -5.302 1.030) 6.942 5.459 ( -7.120 4.172 0.759) 8.287 5.621 ( 4.224 -6.865 2.586) 8.465 5.772 ( 0.368 8.440 0.700) 8.477 5.826 ( 11.609 1.629 -5.076) 12.775 5.942 ( 2.477 -1.048 1.500) 3.079 6.013 ( 7.170 5.528 -5.718) 10.709 6.065 ( 2.499 -1.635 -3.592) 4.671 6.342 ( 0.874 -0.174 0.608) 1.079 6.459 ( 3.323 -3.743 -5.234) 7.242 6.595 ( -2.896 -6.827 1.579) 7.582 6.828 ( -2.991 -1.049 3.290) 4.569 6.870 ( -1.168 5.767 -2.670) 6.461 6.928 ( -3.627 8.395 -6.339) 11.127 6.935 ( 3.295 -0.678 5.129) 6.134 7.054 ( 0.383 3.054 0.931) 3.216 7.312 ( -4.937 -4.877 6.521) 9.523 7.364 ( 0.041 0.137 -2.584) 2.588 7.576 ( -9.513 0.471 0.749) 9.554 7.736 ( -0.068 -4.441 0.671) 4.492 7.826 ( 10.748 -1.747 -4.468) 11.770 8.038 ( -4.977 -1.408 -0.447) 5.192 8.090 ( 6.039 -1.905 -7.232) 9.613 8.199 ( 3.578 -3.087 0.528) 4.755 8.324 ( -2.780 -0.566 -3.599) 4.583 8.379 ( -1.304 -5.437 -0.987) 5.678 8.571 ( -2.364 -1.519 3.529) 4.511 8.995 ( 3.878 0.795 0.626) 4.008 9.310 ( 3.195 3.439 -0.366) 4.709 9.506 ( -4.768 -1.381 1.021) 5.068 9.609 ( -1.235 0.684 -2.275) 2.677 9.982 ( -2.649 -5.725 -3.420) 7.176 10.084 ( -5.280 1.966 -0.116) 5.635 10.128 ( -1.701 0.868 3.521) 4.005 10.255 ( -0.274 3.060 0.706) 3.152 10.420 ( -0.698 1.969 3.170) 3.796 10.483 ( -0.384 4.650 -0.444) 4.687 10.668 ( 7.635 -3.111 -0.120) 8.245 10.763 ( 1.462 -0.434 -2.600) 3.014 10.934 ( -0.192 0.076 0.537) 0.575 11.332 ( -2.578 0.176 -2.332) 3.480 11.458 ( 2.990 2.757 6.393) 7.577 11.560 ( -1.295 -0.012 7.111) 7.228 11.624 ( -1.573 3.819 0.116) 4.132 11.815 ( 1.495 1.015 1.882) 2.609 11.923 ( -2.337 2.502 0.440) 3.452 12.052 ( 2.402 -3.515 -2.779) 5.084 12.245 ( 1.750 -3.716 -1.078) 4.247 12.642 ( -3.897 5.699 -2.769) 7.438 12.675 ( -2.110 1.118 -0.348) 2.413 12.846 ( 2.599 -2.392 3.973) 5.316 12.986 ( 0.679 -0.770 2.284) 2.504 13.273 ( -0.208 3.591 -2.128) 4.179 13.733 ( 2.536 1.591 5.632) 6.378 13.804 ( -4.795 -7.206 -4.004) 9.537 14.015 ( 0.965 0.298 3.168) 3.325 14.092 ( 0.913 -2.619 -1.080) 2.976 14.340 ( -5.711 0.179 2.331) 6.171 14.683 ( -3.119 1.936 -0.841) 3.766 14.778 ( 8.356 3.168 -9.351) 12.934 15.190 ( 8.200 -1.899 -7.814) 11.486 15.308 ( -2.034 -4.999 -2.755) 6.059 18.529 ( 5.809 7.488 0.210) 9.480 18.830 ( -9.750 -2.009 7.408) 12.409 19.226 ( 2.899 1.559 4.516) 5.588 19.845 ( 0.376 0.168 -2.092) 2.132 19.939 ( -3.722 -10.972 3.050) 11.981 20.399 ( -0.030 6.535 -6.295) 9.074 ======================= Grid point 160 (84/116) ======================= q-point: (-0.29 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 2.719 -13.731 -0.205) 13.999 1.789 ( 9.470 -4.938 -8.896) 13.900 2.002 ( -9.290 7.607 16.487) 20.396 2.332 ( -2.506 11.363 12.834) 17.324 2.553 ( 0.544 -1.991 0.857) 2.235 2.816 ( 2.742 -7.587 2.719) 8.513 3.099 ( 4.254 -7.424 -9.541) 12.816 3.154 ( 3.439 -2.528 1.133) 4.416 3.238 ( 2.860 -2.136 4.672) 5.880 3.683 ( -2.592 15.655 -1.467) 15.936 3.874 ( -4.735 7.120 10.744) 13.731 3.930 ( -3.668 3.897 8.555) 10.091 4.056 ( 6.825 -5.293 -0.610) 8.658 4.125 ( -4.008 -1.882 -2.828) 5.254 4.260 ( -5.318 -0.080 0.162) 5.321 4.397 ( 1.071 0.106 5.053) 5.166 4.718 ( 4.906 -0.393 -6.044) 7.794 4.732 ( -7.125 -5.549 2.144) 9.282 4.823 ( -5.375 6.526 5.916) 10.318 5.017 ( -6.763 2.653 0.304) 7.272 5.030 ( -5.785 -1.533 1.593) 6.193 5.057 ( -2.047 4.790 -6.587) 8.397 5.273 ( -5.807 6.156 -1.572) 8.608 5.437 ( 10.423 4.326 -9.686) 14.871 5.742 ( -2.949 -2.871 6.188) 7.432 5.806 ( 3.551 2.191 0.162) 4.176 5.849 ( 9.027 3.411 -1.210) 9.726 5.962 ( 5.570 1.171 -5.975) 8.252 6.051 ( 2.881 -3.159 1.595) 4.563 6.151 ( 6.888 -7.532 -5.408) 11.551 6.388 ( 5.084 0.778 2.374) 5.665 6.494 ( -9.483 10.415 1.318) 14.147 6.534 ( 3.668 -2.802 -3.344) 5.700 6.720 ( -1.353 1.731 -1.152) 2.481 6.763 ( -4.722 0.501 2.327) 5.288 6.866 ( 0.762 0.232 0.879) 1.186 6.980 ( 2.187 -0.866 1.503) 2.791 7.169 ( 3.633 -3.754 8.237) 9.754 7.341 ( -1.502 -1.916 0.429) 2.472 7.431 ( -2.547 -9.435 -2.127) 10.002 7.536 ( -2.127 -4.602 0.547) 5.099 7.757 ( -0.545 -1.873 -0.844) 2.125 7.921 ( -3.741 -2.887 -5.020) 6.895 8.005 ( 8.324 0.231 -4.082) 9.274 8.113 ( 1.879 -3.774 -4.869) 6.441 8.270 ( -1.738 -3.383 4.137) 5.619 8.349 ( 2.708 -3.454 -5.420) 6.974 8.500 ( 4.215 -11.740 -3.181) 12.873 8.611 ( -1.044 -1.270 5.961) 6.184 8.979 ( 4.961 7.962 -1.230) 9.461 9.317 ( -1.802 0.490 2.260) 2.931 9.403 ( -1.294 4.050 -1.938) 4.673 9.533 ( -7.510 -0.804 -5.405) 9.288 9.918 ( -6.255 1.249 -7.643) 9.955 10.002 ( -6.697 3.049 4.053) 8.401 10.136 ( 2.868 1.198 2.283) 3.857 10.211 ( -0.189 2.479 1.137) 2.734 10.436 ( -1.680 -0.533 4.784) 5.098 10.471 ( 3.019 -1.079 1.082) 3.384 10.710 ( 0.158 3.808 -3.895) 5.449 10.822 ( 8.985 -1.086 1.941) 9.256 10.948 ( -0.767 0.526 2.889) 3.035 11.289 ( -4.108 -2.250 -0.609) 4.724 11.463 ( -3.922 4.542 6.655) 8.961 11.522 ( 0.271 5.831 -1.449) 6.014 11.577 ( -1.369 2.116 3.673) 4.454 11.795 ( -2.134 2.650 0.799) 3.494 11.880 ( 1.551 3.236 -1.160) 3.772 12.103 ( 2.529 -3.804 -2.957) 5.442 12.296 ( 0.780 -2.466 -2.631) 3.689 12.445 ( -4.192 8.937 -1.060) 9.928 12.637 ( -4.065 0.989 1.476) 4.436 12.869 ( 1.058 1.962 2.942) 3.691 13.174 ( 5.484 -3.226 -1.346) 6.504 13.255 ( 4.012 -4.779 6.791) 9.222 13.760 ( 1.973 2.921 2.563) 4.358 13.826 ( -4.386 -6.627 2.132) 8.228 14.030 ( -1.115 -0.478 -0.883) 1.500 14.184 ( 1.074 -2.500 3.588) 4.503 14.342 ( 1.495 -3.661 -1.207) 4.134 14.653 ( -3.116 -3.946 0.809) 5.092 14.764 ( 7.096 0.474 -7.729) 10.503 15.244 ( 6.455 -1.597 -6.778) 9.495 15.316 ( -0.367 -2.676 -4.603) 5.336 18.491 ( 3.244 6.455 2.407) 7.615 18.807 ( -7.916 -2.159 2.818) 8.676 19.228 ( 0.938 6.645 4.427) 8.040 19.744 ( -3.423 5.927 -4.345) 8.107 20.069 ( -5.007 -7.850 4.014) 10.139 20.294 ( 2.037 0.145 -5.858) 6.204 ======================= Grid point 161 (85/116) ======================= q-point: (-0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -3.217 -12.079 7.262) 14.457 1.927 ( 0.832 -6.197 7.868) 10.050 2.151 ( 4.100 -15.404 5.477) 16.855 2.286 ( 2.030 7.953 13.598) 15.883 2.617 ( 4.237 -3.376 -2.099) 5.810 2.982 ( 3.252 -4.627 -0.456) 5.674 3.196 ( 3.531 -10.169 -6.183) 12.414 3.272 ( 3.969 5.753 1.963) 7.260 3.358 ( -0.822 4.268 3.703) 5.710 3.397 ( -1.108 -0.655 7.070) 7.186 3.804 ( -4.543 5.820 6.220) 9.654 3.901 ( -2.452 10.441 10.262) 14.843 4.032 ( -11.022 -2.385 -1.715) 11.406 4.115 ( 1.783 10.127 2.144) 10.504 4.247 ( 2.779 -9.979 -10.098) 14.467 4.478 ( -1.840 1.217 1.018) 2.430 4.628 ( -1.837 9.902 2.554) 10.389 4.664 ( -5.640 -1.109 9.037) 10.710 4.770 ( -6.294 0.742 0.751) 6.382 4.899 ( -2.760 1.657 -2.799) 4.266 4.982 ( 1.221 -4.138 -5.178) 6.740 5.044 ( -1.210 -1.714 -0.988) 2.319 5.130 ( 0.066 2.083 -2.200) 3.031 5.396 ( 14.919 6.602 -13.280) 21.036 5.685 ( 1.092 10.347 -3.217) 10.891 5.716 ( 2.691 7.813 -2.616) 8.668 5.843 ( -3.371 2.579 1.235) 4.420 6.043 ( 3.216 -4.867 -4.672) 7.474 6.111 ( -4.229 -0.896 2.454) 4.971 6.210 ( -2.464 -1.858 3.387) 4.582 6.390 ( -3.788 -2.250 3.344) 5.531 6.456 ( 8.487 1.465 -1.833) 8.805 6.559 ( 3.108 0.770 -2.288) 3.936 6.663 ( 2.984 1.457 -5.229) 6.195 6.707 ( -4.974 3.324 4.420) 7.439 6.902 ( 2.795 1.057 -0.516) 3.033 7.145 ( -0.915 -10.653 7.199) 12.890 7.335 ( 0.601 -1.427 6.531) 6.712 7.366 ( 3.068 -4.057 1.227) 5.232 7.483 ( -2.802 -8.103 -5.180) 10.018 7.635 ( 1.558 -6.968 -0.636) 7.168 7.760 ( -1.255 -0.770 -4.172) 4.424 7.877 ( -5.547 -7.530 2.028) 9.570 8.095 ( 7.092 -1.858 -2.099) 7.626 8.153 ( 1.496 -6.073 -5.908) 8.604 8.318 ( -2.079 -1.372 -7.395) 7.804 8.385 ( -1.483 -4.923 6.588) 8.357 8.655 ( 2.683 3.020 2.228) 4.613 8.684 ( 0.364 -8.250 -0.605) 8.280 8.907 ( 5.993 6.829 -1.975) 9.298 9.239 ( -3.005 1.940 -1.064) 3.731 9.351 ( -5.728 0.070 -7.483) 9.423 9.440 ( -2.248 0.651 7.012) 7.393 9.757 ( 1.230 6.389 -6.468) 9.174 9.865 ( -7.187 6.173 3.708) 10.174 10.126 ( 5.386 4.348 -6.411) 9.435 10.251 ( -0.791 -2.692 7.016) 7.557 10.484 ( -0.898 -3.836 -0.301) 3.952 10.553 ( 0.932 -0.911 4.551) 4.734 10.633 ( 1.185 2.341 -0.607) 2.693 10.887 ( -2.987 3.290 2.531) 5.114 10.960 ( 7.568 2.164 -0.383) 7.880 11.271 ( -5.739 -0.988 2.546) 6.355 11.401 ( -4.165 -0.668 1.701) 4.548 11.468 ( 1.159 4.593 2.158) 5.205 11.543 ( 0.696 3.799 1.293) 4.073 11.715 ( -3.892 2.653 -0.024) 4.710 11.835 ( 3.457 4.485 -2.276) 6.103 12.187 ( 4.180 -4.063 -0.670) 5.867 12.195 ( -9.644 1.764 -2.177) 10.042 12.401 ( 6.377 3.495 2.875) 7.820 12.546 ( -5.263 3.756 -1.261) 6.588 12.897 ( 1.663 1.076 4.092) 4.547 13.155 ( 2.089 1.199 -6.242) 6.690 13.504 ( 0.246 -4.071 8.788) 9.688 13.798 ( -2.032 -7.348 -2.064) 7.899 13.945 ( 8.864 -5.755 3.433) 11.111 14.014 ( -1.051 -0.798 -2.113) 2.491 14.204 ( -4.450 0.187 5.856) 7.357 14.419 ( 6.372 -1.043 -3.891) 7.539 14.718 ( -3.397 -7.935 0.526) 8.647 14.829 ( 7.011 -5.530 -4.988) 10.228 15.255 ( -0.693 -1.087 -3.632) 3.854 15.297 ( 3.332 2.032 -5.008) 6.349 18.477 ( 2.128 4.150 4.869) 6.742 18.702 ( -6.593 2.866 -5.684) 9.164 19.161 ( -4.855 7.188 10.804) 13.855 19.583 ( 3.513 6.594 -7.850) 10.837 20.096 ( -11.876 -3.863 7.570) 14.603 20.344 ( 7.041 -3.992 -4.328) 9.179 ======================= Grid point 164 (86/116) ======================= q-point: ( 0.29 0.29 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -9.834 -0.000 2.839) 10.236 2.062 ( -8.367 -0.000 -13.261) 15.680 2.390 ( -5.052 -0.000 -8.171) 9.607 2.532 ( 10.101 0.000 -21.481) 23.737 3.066 ( -5.557 -0.000 -7.560) 9.383 3.072 ( 5.603 0.000 -21.858) 22.564 3.120 ( 4.669 0.000 -2.109) 5.123 3.125 ( -0.471 -0.000 4.153) 4.179 3.201 ( 10.331 0.000 2.353) 10.595 3.555 ( -6.288 -0.000 4.907) 7.976 3.689 ( 2.195 0.000 5.197) 5.642 3.982 ( 4.418 0.000 7.851) 9.009 4.032 ( -3.502 -0.000 5.652) 6.648 4.110 ( -15.652 -0.000 11.409) 19.369 4.247 ( 9.876 0.000 0.385) 9.883 4.342 ( 0.097 0.000 3.958) 3.960 4.422 ( 0.842 0.000 8.071) 8.114 4.625 ( 7.741 0.000 2.253) 8.062 4.769 ( -10.759 -0.000 15.139) 18.573 4.947 ( 7.262 0.000 -10.707) 12.938 4.986 ( -0.570 -0.000 3.776) 3.819 5.169 ( 9.758 0.000 -15.710) 18.494 5.379 ( -7.562 -0.000 -2.283) 7.899 5.516 ( -3.016 -0.000 5.139) 5.959 5.686 ( 7.619 0.000 1.594) 7.784 5.736 ( 7.167 0.000 3.937) 8.177 5.933 ( 1.386 0.000 -5.902) 6.063 5.963 ( -6.544 -0.000 3.285) 7.323 5.994 ( 8.279 0.000 -2.943) 8.786 6.213 ( 10.963 0.000 -12.079) 16.312 6.362 ( -5.970 -0.000 1.623) 6.187 6.420 ( 0.639 0.000 -2.784) 2.856 6.551 ( -1.088 -0.000 5.874) 5.974 6.637 ( -6.963 -0.000 7.141) 9.974 6.748 ( 2.157 0.000 -3.218) 3.874 6.755 ( 2.818 0.000 0.363) 2.841 7.151 ( -11.458 -0.000 9.727) 15.030 7.259 ( -5.573 -0.000 3.747) 6.716 7.297 ( -0.125 -0.000 -3.845) 3.847 7.460 ( 10.773 0.000 -10.228) 14.854 7.735 ( -5.171 -0.000 2.369) 5.687 7.804 ( -1.397 -0.000 -1.667) 2.175 7.853 ( -4.744 -0.000 -4.290) 6.396 8.019 ( -2.483 -0.000 -9.543) 9.861 8.044 ( -3.984 -0.000 -3.444) 5.266 8.264 ( -4.954 -0.000 8.061) 9.462 8.344 ( 1.604 0.000 -2.875) 3.293 8.354 ( -6.554 -0.000 -2.381) 6.973 8.667 ( -11.977 -0.000 7.113) 13.930 8.670 ( 8.248 0.000 1.984) 8.483 9.267 ( -1.050 -0.000 7.717) 7.788 9.476 ( 8.077 0.000 -9.340) 12.348 9.764 ( -0.991 -0.000 4.170) 4.286 9.928 ( 0.522 0.000 -1.622) 1.704 10.046 ( 8.258 0.000 0.769) 8.294 10.071 ( -3.930 -0.000 -2.325) 4.566 10.269 ( 4.010 0.000 1.557) 4.302 10.505 ( -3.512 -0.000 -0.602) 3.563 10.549 ( -4.570 -0.000 4.869) 6.678 10.677 ( 2.281 0.000 -3.817) 4.447 10.725 ( -2.716 -0.000 -2.597) 3.758 10.935 ( 9.374 0.000 -6.703) 11.524 11.368 ( -2.327 -0.000 -0.741) 2.442 11.429 ( 0.106 0.000 4.498) 4.499 11.456 ( 2.284 0.000 12.117) 12.330 11.685 ( 5.936 0.000 3.285) 6.784 11.725 ( 6.476 0.000 2.468) 6.931 11.884 ( 0.511 0.000 -0.630) 0.811 12.064 ( -3.440 -0.000 -3.242) 4.727 12.077 ( -0.534 -0.000 3.361) 3.403 12.683 ( 2.460 0.000 3.821) 4.544 12.684 ( 4.559 0.000 -1.407) 4.771 12.853 ( -1.884 -0.000 -4.777) 5.135 13.045 ( -1.477 -0.000 0.329) 1.513 13.468 ( 6.701 0.000 -3.338) 7.487 13.532 ( -5.926 -0.000 -8.498) 10.360 13.692 ( -8.576 -0.000 2.333) 8.888 14.077 ( -4.777 -0.000 1.555) 5.024 14.317 ( -7.782 -0.000 0.301) 7.787 14.473 ( -5.324 -0.000 -2.555) 5.905 14.788 ( -8.114 -0.000 4.584) 9.319 14.817 ( 16.325 0.000 -15.603) 22.582 15.157 ( 6.008 0.000 -5.692) 8.276 15.167 ( -4.470 -0.000 1.557) 4.734 18.720 ( 10.960 0.000 -1.213) 11.027 18.886 ( 1.389 0.000 7.350) 7.480 18.967 ( -10.221 -0.000 13.467) 16.907 19.581 ( 13.040 0.000 -11.825) 17.603 19.876 ( -11.318 -0.000 8.693) 14.271 20.636 ( 1.469 0.000 -3.678) 3.961 ======================= Grid point 165 (87/116) ======================= q-point: ( 0.43 0.29 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -4.822 1.254 2.909) 5.769 1.859 ( 2.780 5.164 -12.615) 13.912 2.355 ( 0.382 -2.955 -3.585) 4.662 2.435 ( 2.765 -0.581 -14.465) 14.739 2.736 ( -5.306 10.769 -7.964) 14.407 2.989 ( -0.062 -0.743 -13.034) 13.055 3.079 ( 1.906 8.290 -1.225) 8.594 3.117 ( 1.072 9.047 -3.759) 9.855 3.382 ( -1.612 -9.017 -5.104) 10.485 3.488 ( 11.199 0.624 4.216) 11.982 3.870 ( -5.217 -12.871 2.493) 14.110 3.903 ( -3.157 9.087 7.555) 12.232 4.067 ( -6.175 -0.729 11.042) 12.672 4.128 ( -2.272 2.004 6.445) 7.122 4.404 ( 7.782 4.152 5.505) 10.397 4.425 ( -4.280 -9.453 6.681) 12.341 4.517 ( 1.126 -3.094 2.977) 4.439 4.738 ( 4.488 6.412 2.671) 8.269 4.770 ( 4.399 -3.725 1.560) 5.972 4.914 ( -4.479 -5.843 5.137) 8.977 5.077 ( 12.029 10.191 -11.767) 19.673 5.184 ( -7.796 -5.069 0.363) 9.306 5.242 ( -0.342 -9.293 -4.443) 10.307 5.523 ( -0.037 1.169 0.695) 1.361 5.706 ( -1.682 4.725 0.852) 5.087 5.778 ( 6.386 3.990 3.074) 8.133 5.893 ( -0.436 -2.379 -4.378) 5.002 5.968 ( -5.360 -2.702 4.039) 7.235 6.108 ( 6.781 0.776 -2.900) 7.416 6.182 ( 3.070 6.076 -2.676) 7.315 6.312 ( 2.336 1.709 -1.274) 3.162 6.389 ( 3.409 1.176 -0.783) 3.690 6.586 ( -4.432 4.050 3.683) 7.044 6.650 ( 4.340 -7.722 -2.428) 9.185 6.813 ( 6.048 -4.534 -2.163) 7.863 6.845 ( -1.228 -4.555 6.579) 8.096 7.092 ( -4.399 4.257 2.750) 6.711 7.136 ( -9.571 -0.344 5.028) 10.817 7.343 ( 0.224 0.242 -8.531) 8.538 7.520 ( 3.095 0.669 -3.040) 4.390 7.563 ( -3.207 3.939 -1.759) 5.375 7.672 ( -6.181 4.494 -2.104) 7.927 7.847 ( 2.282 0.445 1.199) 2.616 7.974 ( -3.985 -1.706 -3.382) 5.498 7.989 ( 5.128 -2.477 -6.431) 8.590 8.236 ( -4.407 1.601 0.712) 4.743 8.270 ( -5.492 -0.685 0.351) 5.546 8.333 ( 0.079 -1.163 -4.528) 4.675 8.589 ( -5.181 2.866 7.838) 9.823 8.852 ( 4.907 -7.230 2.159) 9.000 9.341 ( -4.128 -4.062 8.006) 9.881 9.470 ( 7.996 4.539 -6.689) 11.371 9.742 ( -1.250 3.189 -1.064) 3.587 9.849 ( -5.223 -2.353 -5.269) 7.784 10.027 ( -5.016 -3.361 -0.108) 6.039 10.171 ( 3.617 0.678 4.059) 5.479 10.321 ( 1.962 0.890 2.988) 3.684 10.460 ( -2.214 1.697 -0.897) 2.930 10.541 ( -1.455 -1.047 3.220) 3.686 10.638 ( 0.900 1.546 -3.128) 3.604 10.714 ( 0.532 -2.643 -2.983) 4.021 10.955 ( 4.105 1.472 -6.121) 7.515 11.347 ( -0.311 0.240 0.721) 0.821 11.485 ( 1.597 -0.405 5.199) 5.454 11.592 ( 4.450 2.525 9.660) 10.931 11.743 ( 2.039 2.234 3.503) 4.628 11.830 ( 5.246 1.301 2.158) 5.820 11.928 ( 1.679 -3.774 0.058) 4.131 12.017 ( -1.560 1.359 -0.034) 2.069 12.107 ( 0.592 -3.379 1.777) 3.864 12.697 ( -0.951 0.919 -1.968) 2.371 12.736 ( 3.697 -1.833 0.661) 4.179 12.784 ( -2.801 2.353 -1.289) 3.879 12.997 ( -4.336 -0.626 -3.010) 5.315 13.380 ( -1.151 3.337 -4.685) 5.865 13.580 ( 4.910 -6.536 -9.555) 12.575 13.651 ( -4.097 -3.049 7.444) 9.028 14.045 ( -2.825 -0.417 1.875) 3.416 14.177 ( -6.736 6.214 2.854) 9.599 14.370 ( -4.910 1.148 -3.997) 6.434 14.743 ( -7.361 -0.724 3.100) 8.020 14.851 ( 12.602 2.309 -13.132) 18.347 15.157 ( -3.212 -3.808 0.189) 4.985 15.175 ( 7.620 0.906 -6.756) 10.223 18.759 ( 6.912 5.133 -3.246) 9.201 18.859 ( -4.701 5.482 8.860) 11.431 19.135 ( -1.434 -7.682 14.637) 16.593 19.677 ( 12.151 -5.024 -10.569) 16.870 19.814 ( -11.367 -1.082 7.302) 13.554 20.563 ( -1.840 3.418 -6.406) 7.491 ======================= Grid point 166 (88/116) ======================= q-point: (-0.43 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -1.026 -1.640 1.842) 2.671 1.770 ( 11.893 4.139 -13.504) 18.464 2.248 ( -1.742 3.484 -6.381) 7.476 2.519 ( 4.981 0.668 6.700) 8.376 2.550 ( -6.401 -1.286 2.506) 6.993 2.774 ( -4.802 9.929 -7.329) 13.242 2.970 ( 4.102 1.136 -7.011) 8.202 3.070 ( 5.484 0.345 -4.517) 7.113 3.434 ( -7.999 -7.640 2.327) 11.304 3.542 ( 4.231 8.967 -1.910) 10.098 3.870 ( -2.481 -10.664 1.608) 11.066 4.048 ( 4.024 0.974 2.612) 4.895 4.098 ( -2.123 1.881 11.266) 11.617 4.123 ( -5.094 -3.538 0.298) 6.209 4.356 ( -6.352 6.647 1.440) 9.306 4.433 ( 0.019 3.412 1.624) 3.779 4.628 ( 2.912 -1.286 1.377) 3.468 4.733 ( 0.226 10.729 1.751) 10.873 4.859 ( 0.157 -8.773 0.574) 8.793 4.896 ( 1.374 -0.387 5.153) 5.347 5.118 ( -0.865 -0.157 -3.467) 3.576 5.174 ( -1.092 -9.770 4.366) 10.757 5.423 ( -4.339 2.505 -0.585) 5.044 5.443 ( 0.357 1.947 3.497) 4.018 5.606 ( -0.173 0.834 1.342) 1.590 5.860 ( 4.111 -0.746 -6.213) 7.487 5.892 ( -2.235 2.803 1.376) 3.840 5.926 ( 4.492 -2.497 -3.607) 6.279 6.058 ( 4.583 1.578 -2.851) 5.623 6.173 ( 2.805 2.249 -0.433) 3.621 6.407 ( 5.677 -2.223 -3.209) 6.889 6.452 ( 9.690 -0.113 2.891) 10.113 6.509 ( -1.971 2.247 2.215) 3.721 6.750 ( -3.783 -4.691 1.586) 6.232 6.881 ( -10.316 1.116 3.762) 11.037 6.893 ( 2.873 0.532 -6.038) 6.707 7.043 ( 5.426 2.230 3.807) 6.994 7.111 ( -6.539 7.737 -2.277) 10.383 7.171 ( -1.577 -7.536 0.060) 7.699 7.428 ( -0.184 3.465 -1.156) 3.657 7.504 ( -3.905 2.476 -0.548) 4.656 7.670 ( -0.106 -4.033 -0.109) 4.036 7.852 ( -0.751 -0.764 -4.831) 4.949 7.978 ( 2.849 -1.676 2.642) 4.232 8.061 ( 7.680 -2.358 -9.858) 12.717 8.194 ( 0.118 -1.539 -0.932) 1.803 8.209 ( -4.493 -2.647 -0.086) 5.215 8.322 ( 1.562 -1.291 -4.244) 4.703 8.583 ( -3.614 0.246 7.930) 8.718 9.013 ( 3.153 -6.126 -0.223) 6.893 9.370 ( -6.883 -0.560 2.274) 7.270 9.438 ( 3.533 4.405 0.648) 5.684 9.642 ( -0.395 5.349 -3.366) 6.333 9.810 ( -3.762 -4.969 -5.709) 8.452 10.026 ( -2.486 -1.858 2.449) 3.954 10.171 ( -3.443 2.599 3.960) 5.856 10.339 ( 2.871 4.215 1.439) 5.299 10.422 ( -0.527 -2.406 -1.094) 2.695 10.536 ( -3.409 4.018 2.922) 6.025 10.695 ( 5.722 -4.934 -0.535) 7.574 10.719 ( 0.412 -2.929 -3.843) 4.849 10.924 ( -0.299 -0.845 -2.374) 2.537 11.337 ( 0.414 3.362 1.445) 3.682 11.555 ( 0.831 0.335 2.333) 2.499 11.620 ( -3.095 3.489 7.052) 8.455 11.727 ( 2.466 6.425 3.929) 7.924 11.897 ( 0.473 3.403 3.974) 5.253 11.948 ( 2.847 1.018 0.069) 3.024 12.003 ( 0.845 -2.418 -2.358) 3.481 12.214 ( 4.344 -3.027 -0.344) 5.306 12.610 ( -5.947 2.437 -3.289) 7.220 12.675 ( -3.244 2.875 -0.101) 4.336 12.859 ( 2.476 -5.025 2.114) 5.988 12.974 ( -0.134 -4.182 1.443) 4.426 13.307 ( 0.224 3.093 -1.792) 3.582 13.579 ( -5.517 -7.086 -4.966) 10.262 13.807 ( 6.709 -4.073 2.509) 8.240 14.039 ( -4.202 1.507 2.500) 5.117 14.106 ( 4.718 0.028 1.043) 4.832 14.262 ( -6.132 -0.319 -2.134) 6.501 14.672 ( -5.578 1.877 1.508) 6.076 14.828 ( 6.936 3.113 -9.288) 12.003 15.177 ( -0.051 -2.855 -2.908) 4.075 15.216 ( 8.015 -2.168 -7.517) 11.200 18.714 ( 2.207 6.530 0.677) 6.926 18.812 ( -2.386 3.842 5.149) 6.853 19.326 ( 1.422 -1.523 12.314) 12.489 19.720 ( -13.899 -3.636 4.598) 15.085 19.859 ( 10.402 -6.550 -5.807) 13.595 20.392 ( -3.693 5.071 -8.736) 10.755 ======================= Grid point 167 (89/116) ======================= q-point: (-0.29 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -2.853 -5.971 -0.232) 6.622 1.793 ( 16.305 -1.200 -13.177) 20.998 2.139 ( -9.953 6.468 13.138) 17.706 2.523 ( 1.318 3.198 4.107) 5.370 2.578 ( 1.608 1.735 -0.838) 2.510 2.711 ( 3.545 -9.042 -3.477) 10.315 2.982 ( 2.113 -2.897 -3.392) 4.936 3.150 ( 1.076 -5.846 1.412) 6.109 3.407 ( 1.930 5.571 10.378) 11.936 3.575 ( -3.625 -10.726 -2.608) 11.619 3.868 ( -7.408 12.916 -6.361) 16.191 3.991 ( 0.753 -7.066 -9.059) 11.514 4.055 ( -6.893 2.243 4.421) 8.491 4.158 ( -3.470 3.201 4.752) 6.699 4.259 ( 5.326 1.743 3.517) 6.616 4.422 ( 2.343 -1.317 -1.086) 2.899 4.674 ( -1.722 -0.395 7.184) 7.398 4.733 ( 1.437 1.256 2.890) 3.463 4.874 ( -5.971 1.720 0.868) 6.274 4.945 ( 1.514 0.928 2.053) 2.715 5.044 ( -5.208 4.243 3.263) 7.468 5.181 ( -0.334 15.188 1.063) 15.229 5.276 ( -7.557 -2.020 -1.590) 7.982 5.417 ( -0.962 -1.562 3.415) 3.876 5.764 ( 2.168 1.715 -1.406) 3.101 5.803 ( 4.117 -7.108 -0.373) 8.223 5.893 ( -2.176 -3.258 -2.637) 4.722 6.002 ( 11.250 1.535 -10.922) 15.755 6.109 ( 5.889 -1.928 -2.545) 6.699 6.144 ( 2.553 5.053 0.441) 5.679 6.405 ( -8.221 2.042 2.469) 8.824 6.536 ( 6.856 -2.445 -4.442) 8.527 6.597 ( 2.841 1.368 7.136) 7.802 6.723 ( -5.288 4.575 2.183) 7.325 6.776 ( 0.422 6.210 -3.288) 7.039 6.812 ( -0.016 -5.267 4.917) 7.206 6.987 ( -6.194 -2.708 0.612) 6.788 7.164 ( 2.093 -6.530 -1.230) 6.966 7.280 ( 4.029 -4.350 -2.433) 6.409 7.361 ( 1.592 3.329 -2.453) 4.431 7.503 ( 0.213 -2.342 4.042) 4.676 7.705 ( -0.875 -2.027 0.950) 2.404 7.773 ( -7.106 -1.301 -3.547) 8.048 8.024 ( 0.893 -1.933 -7.778) 8.064 8.079 ( 5.525 -0.667 -0.852) 5.629 8.222 ( 0.446 -2.813 2.026) 3.495 8.290 ( 1.402 -1.820 -6.497) 6.891 8.368 ( 5.797 -9.863 -4.116) 12.159 8.656 ( 0.052 -2.017 10.652) 10.841 9.080 ( 1.069 -1.950 -4.537) 5.053 9.283 ( -6.508 1.019 0.427) 6.601 9.389 ( 0.375 6.710 0.093) 6.721 9.539 ( -1.699 5.255 1.370) 5.690 9.778 ( 0.460 -3.206 -8.699) 9.282 10.021 ( -5.618 3.516 6.331) 9.165 10.176 ( -0.396 -2.405 5.661) 6.163 10.303 ( 4.224 5.905 -2.254) 7.602 10.460 ( -2.344 2.775 1.704) 4.012 10.477 ( 1.113 -3.727 0.819) 3.975 10.662 ( -2.449 -0.955 -5.375) 5.983 10.904 ( 7.207 -6.471 1.896) 9.870 10.924 ( -3.300 -1.759 1.010) 3.874 11.292 ( -0.455 4.709 2.900) 5.549 11.468 ( -5.513 3.652 -1.205) 6.721 11.627 ( -1.051 3.579 6.047) 7.105 11.685 ( 0.428 6.999 4.822) 8.510 11.830 ( -1.709 4.774 0.646) 5.111 11.967 ( 4.687 4.462 -2.079) 6.797 12.045 ( 1.526 -4.079 -0.934) 4.454 12.231 ( -0.485 0.610 -6.455) 6.502 12.504 ( -2.278 1.797 3.149) 4.281 12.620 ( -2.565 1.461 0.096) 2.954 12.924 ( -0.078 -0.298 4.003) 4.015 13.142 ( 2.531 -6.813 -1.685) 7.461 13.290 ( 2.309 -3.256 4.932) 6.345 13.583 ( -5.030 -7.829 -4.535) 10.352 13.904 ( 1.505 2.063 4.017) 4.760 14.004 ( -1.290 -0.408 -0.338) 1.395 14.172 ( -2.704 -2.142 1.805) 3.893 14.282 ( 7.021 -6.064 -2.826) 9.698 14.607 ( -3.186 0.152 1.205) 3.410 14.783 ( 4.466 1.728 -7.327) 8.753 15.184 ( -0.431 -2.469 -3.660) 4.436 15.285 ( 9.003 -2.133 -8.021) 12.244 18.643 ( -3.176 5.791 4.637) 8.070 18.771 ( 1.604 3.868 -0.728) 4.250 19.410 ( -0.442 7.784 11.498) 13.892 19.634 ( -12.035 -4.777 2.596) 13.207 20.021 ( 7.213 -2.785 -2.531) 8.136 20.226 ( -1.977 -0.930 -7.873) 8.170 ======================= Grid point 168 (90/116) ======================= q-point: (-0.14 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -5.446 -12.434 -2.709) 13.842 1.955 ( 11.426 -10.410 -10.794) 18.853 2.130 ( -3.932 0.250 20.391) 20.768 2.507 ( 3.702 2.805 3.718) 5.950 2.710 ( 9.050 -0.234 4.252) 10.002 2.831 ( 7.281 -10.635 -14.502) 19.402 3.012 ( -7.576 -5.480 -0.280) 9.355 3.259 ( -7.546 -9.667 6.226) 13.753 3.444 ( -1.680 10.048 -7.135) 12.438 3.539 ( 3.534 7.513 1.382) 8.417 3.650 ( -9.182 -8.309 6.804) 14.129 3.901 ( -6.581 4.535 0.145) 7.993 4.062 ( 1.287 -6.271 -4.777) 7.988 4.152 ( -3.270 2.023 6.136) 7.242 4.335 ( 8.263 5.701 -0.216) 10.041 4.448 ( 2.630 -0.628 -2.874) 3.946 4.604 ( -12.499 -0.288 10.628) 16.410 4.766 ( -8.757 8.279 6.255) 13.578 4.825 ( 2.451 -0.404 4.974) 5.559 4.891 ( 4.780 3.233 2.187) 6.171 4.989 ( -4.008 6.937 -0.104) 8.013 5.068 ( 8.809 4.928 -6.156) 11.823 5.175 ( 2.592 1.130 0.256) 2.839 5.481 ( -2.526 -4.107 1.727) 5.122 5.677 ( 5.423 5.481 -9.336) 12.108 5.828 ( -2.521 3.994 -1.485) 4.951 5.907 ( -0.321 7.131 -3.614) 8.001 5.984 ( 1.728 -2.631 -0.086) 3.149 6.106 ( -4.016 4.440 -1.604) 6.198 6.146 ( -1.459 -5.271 0.387) 5.483 6.339 ( -0.725 -1.592 0.877) 1.957 6.540 ( -0.491 5.284 -1.843) 5.618 6.580 ( 0.147 0.907 -0.349) 0.983 6.702 ( 7.732 1.216 -3.736) 8.672 6.746 ( 0.075 1.379 1.321) 1.911 6.922 ( 0.439 -2.129 1.952) 2.922 7.020 ( -9.100 -10.919 5.470) 15.230 7.281 ( 1.221 -3.500 -1.833) 4.135 7.329 ( 2.950 -2.153 -4.272) 5.621 7.409 ( 7.909 -6.547 1.617) 10.394 7.576 ( -2.931 -4.200 1.232) 5.267 7.720 ( 0.769 0.116 0.865) 1.163 7.733 ( -3.044 -4.381 1.361) 5.505 8.036 ( 3.260 -4.768 -5.738) 8.141 8.120 ( 0.397 -1.322 0.420) 1.443 8.208 ( -2.001 0.027 -7.819) 8.071 8.328 ( -0.700 -5.371 2.865) 6.127 8.533 ( 2.199 -8.921 -5.414) 10.664 8.753 ( -2.023 3.689 8.381) 9.378 9.050 ( 5.364 0.804 -7.407) 9.180 9.227 ( -2.426 -2.037 -0.438) 3.198 9.293 ( 2.136 7.520 1.131) 7.899 9.459 ( -6.026 3.053 4.541) 8.140 9.803 ( 8.457 -1.940 -5.188) 10.109 9.926 ( -5.414 6.843 6.721) 11.014 10.229 ( 1.808 5.771 -2.104) 6.404 10.277 ( 2.433 -1.355 4.131) 4.982 10.441 ( -0.341 -0.868 -0.222) 0.959 10.548 ( -1.003 -3.842 -0.100) 3.972 10.621 ( -0.377 -1.216 -0.358) 1.323 10.879 ( -6.199 0.879 -0.226) 6.265 11.046 ( 5.096 -1.010 -1.304) 5.356 11.261 ( -1.984 2.752 5.515) 6.475 11.363 ( -3.490 0.644 -0.585) 3.597 11.583 ( -0.824 6.237 3.645) 7.271 11.637 ( 0.698 4.705 2.217) 5.248 11.740 ( -1.626 4.984 0.705) 5.290 11.927 ( 4.640 4.280 -3.850) 7.394 12.054 ( -6.430 -0.298 -1.564) 6.624 12.206 ( 4.100 -3.452 -0.259) 5.366 12.508 ( -2.215 4.251 2.145) 5.251 12.566 ( 2.533 1.728 0.817) 3.173 12.962 ( 0.083 0.462 4.741) 4.765 13.120 ( -0.937 -0.024 -6.860) 6.924 13.504 ( -0.872 -5.082 7.070) 8.751 13.603 ( -2.925 -9.246 -4.058) 10.512 13.926 ( -0.878 -3.631 1.228) 3.932 14.009 ( 0.541 -1.737 0.880) 2.021 14.168 ( -4.853 -0.641 2.855) 5.666 14.426 ( 5.915 -4.018 -2.744) 7.659 14.630 ( 2.428 -3.624 -1.950) 4.778 14.784 ( 4.337 -3.237 -5.786) 7.922 15.172 ( -0.666 -1.549 -3.978) 4.321 15.338 ( 6.661 0.411 -5.596) 8.709 18.547 ( -6.977 2.804 2.302) 7.864 18.738 ( 6.352 6.426 0.249) 9.039 19.283 ( -11.432 7.828 8.372) 16.188 19.641 ( 4.503 2.518 0.488) 5.182 20.009 ( -5.661 0.670 2.117) 6.081 20.303 ( 6.781 -7.996 -3.986) 11.216 ======================= Grid point 172 (91/116) ======================= q-point: ( 0.43 0.43 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -3.436 -0.000 2.888) 4.489 1.868 ( 10.978 0.000 -12.758) 16.831 2.313 ( 1.533 0.000 -14.617) 14.697 2.382 ( 3.151 0.000 3.920) 5.030 2.659 ( -8.909 -0.000 -7.390) 11.575 2.818 ( 0.829 0.000 -11.272) 11.302 3.143 ( 1.374 0.000 -13.739) 13.808 3.228 ( 5.526 0.000 -0.389) 5.540 3.264 ( -4.546 -0.000 2.716) 5.296 3.590 ( -13.658 -0.000 -3.777) 14.171 3.644 ( 13.785 0.000 0.918) 13.815 3.992 ( -9.633 -0.000 4.228) 10.520 4.112 ( -1.842 -0.000 10.822) 10.977 4.278 ( -2.276 -0.000 16.238) 16.396 4.319 ( 1.125 0.000 3.089) 3.287 4.582 ( 8.286 0.000 2.365) 8.617 4.619 ( 7.141 0.000 5.995) 9.323 4.744 ( -8.224 -0.000 10.669) 13.471 4.827 ( -8.119 -0.000 0.711) 8.150 5.010 ( 4.772 0.000 -3.333) 5.820 5.015 ( 7.489 0.000 4.053) 8.516 5.106 ( 0.312 0.000 -5.832) 5.840 5.258 ( 13.304 0.000 -14.123) 19.402 5.403 ( -8.033 -0.000 -0.293) 8.039 5.731 ( 0.640 0.000 -3.437) 3.496 5.788 ( -6.508 -0.000 -1.551) 6.691 5.893 ( 2.465 0.000 -0.853) 2.609 5.906 ( -2.659 -0.000 6.491) 7.015 6.160 ( -14.126 -0.000 5.470) 15.148 6.210 ( 8.731 0.000 -6.880) 11.116 6.379 ( 11.779 0.000 1.219) 11.842 6.517 ( 8.941 0.000 -3.332) 9.542 6.537 ( -3.816 -0.000 -3.156) 4.952 6.657 ( -2.794 -0.000 7.756) 8.244 6.821 ( 5.835 0.000 1.730) 6.086 6.905 ( 7.429 0.000 2.464) 7.827 7.009 ( -13.995 -0.000 10.670) 17.599 7.116 ( -5.046 -0.000 -3.127) 5.937 7.347 ( 10.432 0.000 -6.917) 12.517 7.400 ( -11.601 -0.000 -4.824) 12.564 7.530 ( 0.523 0.000 -2.362) 2.419 7.694 ( -3.749 -0.000 -4.486) 5.847 7.879 ( -3.871 -0.000 -2.263) 4.484 7.890 ( 9.959 0.000 0.344) 9.965 8.003 ( 5.307 0.000 -4.454) 6.928 8.159 ( -11.412 -0.000 4.678) 12.333 8.220 ( 1.857 0.000 -4.784) 5.132 8.308 ( 3.249 0.000 -5.537) 6.420 8.622 ( -6.461 -0.000 8.820) 10.933 8.860 ( 5.054 0.000 -1.938) 5.413 9.334 ( -7.381 -0.000 12.068) 14.146 9.552 ( 5.941 0.000 -4.169) 7.258 9.724 ( -1.301 -0.000 -5.915) 6.057 9.727 ( -0.946 -0.000 -4.165) 4.271 9.969 ( -1.498 -0.000 3.208) 3.540 10.217 ( -2.119 -0.000 2.442) 3.233 10.373 ( 0.413 0.000 2.717) 2.748 10.468 ( -1.920 -0.000 0.286) 1.941 10.516 ( -4.163 -0.000 4.174) 5.895 10.622 ( 2.830 0.000 -3.610) 4.587 10.677 ( 1.607 0.000 -3.268) 3.642 10.917 ( -1.254 -0.000 -8.378) 8.472 11.392 ( 2.279 0.000 4.348) 4.910 11.536 ( 2.120 0.000 2.710) 3.441 11.761 ( 3.008 0.000 6.129) 6.828 11.817 ( -1.380 -0.000 4.301) 4.516 11.873 ( 1.086 0.000 -0.887) 1.403 11.914 ( 4.325 0.000 3.421) 5.514 12.066 ( -4.125 -0.000 1.646) 4.442 12.139 ( 10.209 0.000 5.679) 11.682 12.684 ( -1.904 -0.000 -2.642) 3.257 12.697 ( -1.601 -0.000 -4.709) 4.974 12.785 ( -2.582 -0.000 1.450) 2.962 12.869 ( -5.681 -0.000 -4.493) 7.243 13.361 ( -0.680 -0.000 -2.252) 2.352 13.467 ( -1.775 -0.000 -6.479) 6.718 13.714 ( 6.860 0.000 4.616) 8.268 14.041 ( -0.511 -0.000 2.653) 2.702 14.159 ( -4.764 -0.000 0.404) 4.781 14.277 ( -4.085 -0.000 -6.062) 7.310 14.668 ( -9.111 -0.000 5.315) 10.548 14.917 ( 13.278 0.000 -13.992) 19.289 15.092 ( -3.589 -0.000 1.793) 4.012 15.219 ( 8.527 0.000 -7.708) 11.495 18.808 ( 0.618 0.000 1.836) 1.937 18.937 ( -4.797 -0.000 3.700) 6.058 19.225 ( 3.993 0.000 15.735) 16.234 19.695 ( 12.016 0.000 -10.923) 16.239 19.726 ( -12.538 -0.000 8.885) 15.368 20.479 ( -4.145 -0.000 -9.333) 10.212 ======================= Grid point 173 (92/116) ======================= q-point: (-0.43 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -0.309 -0.073 2.079) 2.103 1.889 ( 16.987 3.887 -15.193) 23.119 2.206 ( -2.051 1.026 -5.288) 5.764 2.382 ( -5.972 -5.542 -7.233) 10.895 2.603 ( -3.954 -0.283 5.417) 6.713 2.785 ( 3.583 -1.364 -0.108) 3.836 3.000 ( -0.931 9.727 -10.456) 14.311 3.100 ( -1.586 2.551 -4.572) 5.470 3.282 ( 2.097 -0.672 4.466) 4.979 3.553 ( -11.217 -14.189 -1.974) 18.195 3.784 ( 1.792 7.072 -0.792) 7.338 3.965 ( 7.739 -7.896 -2.111) 11.256 4.177 ( -3.056 1.293 8.196) 8.843 4.231 ( -2.049 5.698 9.293) 11.092 4.420 ( -7.258 6.434 5.459) 11.130 4.535 ( -0.409 11.468 0.616) 11.492 4.653 ( -7.916 -3.902 6.280) 10.832 4.767 ( 5.277 0.422 1.030) 5.393 4.863 ( -1.109 -5.952 5.981) 8.510 4.970 ( -5.127 4.301 2.134) 7.024 5.047 ( 4.920 -1.106 -5.202) 7.245 5.184 ( 2.651 4.328 4.229) 6.607 5.275 ( 4.394 -10.994 -5.813) 13.189 5.458 ( 2.366 -5.900 -4.118) 7.574 5.639 ( -2.784 4.343 0.472) 5.180 5.764 ( 0.011 -2.387 -5.301) 5.813 5.895 ( -5.096 2.866 4.012) 7.091 5.964 ( 4.529 -4.128 1.098) 6.225 6.102 ( -3.686 -6.271 0.650) 7.303 6.173 ( 8.532 7.305 -5.690) 12.591 6.439 ( -3.258 0.594 0.085) 3.313 6.515 ( 0.558 0.554 -0.667) 1.031 6.574 ( 3.417 -0.299 -0.844) 3.532 6.707 ( -2.468 -4.321 4.411) 6.650 6.880 ( 9.459 4.946 -1.217) 10.743 6.895 ( -13.137 3.030 10.227) 16.922 7.047 ( 4.278 -0.310 -0.759) 4.356 7.074 ( -7.169 -0.867 -1.953) 7.481 7.211 ( 5.016 2.142 -1.180) 5.580 7.408 ( 4.148 -0.346 -5.980) 7.286 7.533 ( 0.029 5.137 -2.025) 5.522 7.609 ( 1.829 -5.062 -2.487) 5.929 7.803 ( -3.885 2.919 0.080) 4.860 7.998 ( -1.063 -1.036 -4.921) 5.140 8.047 ( 1.328 -0.828 1.284) 2.024 8.110 ( 3.017 -6.038 0.486) 6.767 8.233 ( 8.647 1.418 -5.072) 10.125 8.287 ( 1.390 0.039 -6.396) 6.546 8.619 ( -3.914 0.067 8.806) 9.637 8.915 ( 1.746 -4.739 -5.003) 7.109 9.335 ( -10.356 0.712 11.584) 15.555 9.536 ( -0.402 1.867 0.637) 2.013 9.664 ( 0.247 1.961 -4.162) 4.607 9.722 ( 6.165 0.804 -5.926) 8.589 10.040 ( 3.631 -1.426 5.830) 7.015 10.174 ( -5.010 1.384 0.892) 5.273 10.361 ( -2.293 -1.030 -0.530) 2.569 10.428 ( 1.722 1.709 -1.211) 2.712 10.537 ( -5.768 -0.867 4.335) 7.267 10.644 ( -0.369 1.214 -2.694) 2.978 10.686 ( 3.066 -4.797 0.913) 5.766 10.839 ( -2.166 -3.482 -6.336) 7.548 11.433 ( 1.332 3.554 4.363) 5.783 11.572 ( -0.177 1.448 -1.190) 1.882 11.692 ( -4.312 4.147 5.846) 8.365 11.851 ( -2.274 -1.355 1.963) 3.296 11.920 ( 2.561 1.104 2.090) 3.485 11.992 ( -2.193 3.656 -0.090) 4.264 12.050 ( 6.127 -0.114 5.117) 7.984 12.293 ( 7.891 2.571 1.209) 8.387 12.525 ( -8.249 2.065 -3.733) 9.287 12.648 ( -2.901 0.068 -3.336) 4.421 12.805 ( -0.366 -6.068 2.730) 6.664 12.884 ( -1.071 -6.823 0.600) 6.933 13.321 ( -1.276 1.663 -1.817) 2.774 13.418 ( -1.179 -2.664 -4.928) 5.725 13.863 ( 6.548 -3.083 3.869) 8.207 14.048 ( -1.704 3.040 1.203) 3.687 14.145 ( 1.719 -3.410 -2.321) 4.469 14.176 ( -0.077 1.205 -3.667) 3.861 14.609 ( -9.292 -0.839 4.613) 10.408 14.897 ( 7.404 5.299 -9.014) 12.812 15.111 ( 1.171 -3.676 -2.226) 4.454 15.250 ( 9.234 0.473 -8.281) 12.412 18.796 ( -3.822 5.243 5.843) 8.731 18.895 ( 0.543 1.705 -0.115) 1.793 19.404 ( -2.558 -4.713 10.970) 12.211 19.634 ( -6.030 5.018 8.077) 11.260 19.822 ( 7.326 -8.018 -3.465) 11.401 20.311 ( -3.732 2.959 -11.403) 12.358 ======================= Grid point 174 (93/116) ======================= q-point: (-0.29 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.801 2.102 -1.227) 2.562 1.910 ( 17.726 4.201 -15.237) 23.749 2.134 ( -12.127 -2.559 9.020) 15.329 2.362 ( -4.894 -8.027 -10.000) 13.725 2.626 ( -1.204 -3.866 8.763) 9.653 2.746 ( 3.335 5.028 -1.349) 6.182 2.948 ( -6.598 -9.665 -4.751) 12.630 3.051 ( 9.775 6.645 -5.417) 13.002 3.393 ( -5.802 -6.025 8.833) 12.165 3.620 ( -2.681 -8.256 3.088) 9.214 3.699 ( 2.396 -0.326 -3.027) 3.874 3.987 ( -4.926 12.431 -7.755) 15.458 4.103 ( -6.405 8.734 6.590) 12.678 4.165 ( -3.747 2.519 4.731) 6.539 4.368 ( -3.579 -6.313 5.702) 9.229 4.426 ( 6.173 3.402 -1.883) 7.295 4.658 ( -9.618 0.460 6.446) 11.588 4.789 ( 4.202 2.006 -1.839) 5.007 4.904 ( -1.166 2.683 1.307) 3.204 4.932 ( -4.612 -4.419 0.341) 6.396 5.070 ( -1.131 -1.727 -0.557) 2.138 5.192 ( 2.469 6.822 6.643) 9.837 5.368 ( 1.434 0.010 1.414) 2.014 5.466 ( 1.031 3.973 -2.158) 4.637 5.658 ( -0.593 -8.198 1.861) 8.427 5.756 ( -1.119 -2.958 -2.228) 3.869 5.837 ( -0.531 0.315 -0.517) 0.806 6.100 ( 10.492 -3.143 -6.024) 12.500 6.149 ( 6.716 5.300 -4.673) 9.749 6.167 ( 1.523 -1.780 -3.344) 4.083 6.358 ( -8.468 3.861 1.884) 9.495 6.515 ( -1.439 -4.972 1.273) 5.330 6.573 ( -3.886 -3.973 0.805) 5.615 6.758 ( -11.371 2.337 5.265) 12.747 6.761 ( -2.871 -1.700 0.400) 3.361 6.890 ( -2.942 7.069 -0.205) 7.659 6.939 ( 7.315 4.147 -0.932) 8.461 7.142 ( 9.034 -4.051 1.172) 9.970 7.308 ( 4.201 0.116 0.219) 4.209 7.389 ( 2.240 0.437 -7.147) 7.503 7.467 ( 0.042 0.383 -0.700) 0.799 7.707 ( 3.349 0.978 -3.561) 4.985 7.728 ( 0.512 -0.357 5.147) 5.185 7.949 ( -1.772 -1.462 -2.308) 3.257 8.064 ( -2.804 -3.185 0.942) 4.347 8.216 ( -1.546 -0.163 -6.655) 6.834 8.279 ( 9.734 0.706 -6.549) 11.753 8.304 ( 9.484 -4.481 -1.491) 10.594 8.722 ( 1.045 -4.632 9.919) 10.997 8.936 ( 0.281 -4.187 -7.463) 8.562 9.260 ( -10.893 2.654 7.440) 13.455 9.503 ( -2.433 3.547 2.433) 4.942 9.624 ( 5.338 5.604 -0.919) 7.794 9.720 ( 5.033 -0.604 -5.217) 7.274 10.067 ( -5.143 3.420 4.781) 7.810 10.202 ( 4.120 -1.956 5.310) 7.000 10.371 ( -1.014 -4.455 -4.098) 6.137 10.392 ( 1.056 3.234 -4.240) 5.437 10.487 ( -3.742 0.832 3.793) 5.393 10.617 ( -1.008 0.952 1.663) 2.165 10.782 ( -4.854 -6.445 -1.016) 8.132 10.892 ( 3.187 -7.850 -0.823) 8.512 11.411 ( 0.189 5.830 4.647) 7.458 11.441 ( -5.367 4.537 -2.332) 7.405 11.715 ( -1.900 1.051 8.411) 8.687 11.783 ( -5.527 4.614 1.556) 7.366 11.900 ( 0.928 5.628 -1.705) 5.953 11.984 ( 2.006 -2.128 -0.402) 2.952 12.094 ( 1.590 3.208 0.618) 3.633 12.201 ( -0.743 5.470 -8.112) 9.812 12.514 ( -1.157 -3.065 6.386) 7.177 12.618 ( 1.357 1.098 -0.804) 1.922 12.901 ( -3.276 -6.015 3.493) 7.689 13.013 ( -0.887 -8.083 -1.519) 8.272 13.288 ( -1.557 -2.827 3.134) 4.499 13.421 ( 0.558 -3.893 -5.599) 6.842 13.969 ( -2.763 2.555 -0.191) 3.768 13.995 ( 3.574 0.630 2.290) 4.291 14.105 ( -1.571 -2.720 -0.822) 3.246 14.303 ( 10.810 -3.715 -3.304) 11.899 14.551 ( -7.594 -1.722 3.135) 8.394 14.819 ( 3.587 4.943 -5.271) 8.068 15.146 ( 3.769 -0.998 -5.042) 6.373 15.300 ( 9.295 -1.665 -7.828) 12.266 18.677 ( -8.140 6.065 3.754) 10.823 18.896 ( 5.841 3.914 -0.094) 7.032 19.399 ( -16.760 -1.687 4.116) 17.340 19.674 ( 4.891 2.706 15.318) 16.306 20.020 ( 5.797 -10.083 -1.842) 11.776 20.124 ( -0.326 4.725 -10.593) 11.604 ======================= Grid point 175 (94/116) ======================= q-point: (-0.14 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 1.619 -0.115 -3.991) 4.308 1.898 ( 6.224 0.798 -10.071) 11.866 2.208 ( -4.108 -6.365 13.175) 15.198 2.350 ( -6.564 -13.663 -6.206) 16.379 2.769 ( -1.006 -5.448 -4.258) 6.987 2.827 ( 8.393 -2.138 2.306) 8.963 2.877 ( 3.070 1.018 -10.966) 11.433 3.047 ( -7.395 -3.728 7.982) 11.502 3.385 ( -5.454 0.905 -6.095) 8.229 3.616 ( -7.747 6.072 -0.948) 9.888 3.734 ( 3.566 5.543 7.481) 9.970 3.873 ( 4.283 -6.474 6.743) 10.282 4.001 ( -9.005 0.881 5.473) 10.574 4.153 ( -2.813 -1.462 2.678) 4.150 4.311 ( -5.530 -3.035 1.468) 6.476 4.554 ( -1.281 4.145 -2.156) 4.844 4.602 ( 6.805 0.165 5.971) 9.055 4.793 ( -7.430 -1.539 0.598) 7.611 4.862 ( -0.710 -2.736 -2.491) 3.768 4.927 ( 1.622 -1.130 -2.175) 2.939 4.997 ( -3.735 9.052 7.677) 12.443 5.234 ( 7.792 2.569 1.096) 8.278 5.334 ( 5.092 11.049 1.774) 12.294 5.448 ( -0.504 -1.449 3.524) 3.843 5.722 ( -2.630 0.386 -4.023) 4.822 5.785 ( -0.240 -3.971 -2.120) 4.508 5.838 ( -1.945 -1.624 -2.068) 3.270 6.042 ( -3.192 4.250 -2.713) 5.967 6.071 ( -1.946 7.207 -2.942) 8.024 6.144 ( 4.176 2.956 -8.218) 9.680 6.298 ( -0.929 -4.208 0.837) 4.390 6.576 ( 0.600 1.443 -3.107) 3.478 6.603 ( 0.175 2.065 2.823) 3.502 6.677 ( -4.993 -10.805 -2.499) 12.162 6.780 ( -2.109 -1.725 4.893) 5.601 6.826 ( 1.730 2.485 3.030) 4.284 6.936 ( 1.178 -0.761 -1.905) 2.365 7.269 ( -3.344 -1.462 0.003) 3.650 7.318 ( -0.760 2.228 -3.670) 4.360 7.435 ( 12.885 -5.713 1.688) 14.195 7.480 ( -0.132 -3.255 -1.685) 3.667 7.698 ( 1.002 2.613 3.677) 4.621 7.803 ( 3.648 1.082 -0.065) 3.805 7.984 ( 1.922 -4.542 -0.476) 4.955 8.057 ( -1.703 -2.314 -3.763) 4.735 8.145 ( -0.969 0.713 -3.286) 3.500 8.327 ( 6.482 0.319 -3.406) 7.329 8.435 ( 3.293 -3.381 -1.612) 4.987 8.846 ( -3.505 4.793 4.695) 7.570 8.928 ( 2.340 -8.025 -8.344) 11.811 9.201 ( -3.554 -2.532 4.770) 6.465 9.441 ( -2.094 4.018 4.603) 6.458 9.560 ( 6.800 10.748 -1.160) 12.771 9.829 ( 6.042 -4.836 1.904) 7.969 10.008 ( -2.504 3.021 4.843) 6.234 10.276 ( -3.167 1.278 3.743) 5.068 10.313 ( 1.024 2.459 -4.611) 5.325 10.385 ( 0.476 -4.743 -3.708) 6.039 10.499 ( 0.016 -0.274 2.889) 2.902 10.630 ( -1.071 -0.969 3.903) 4.162 10.763 ( -4.806 -2.828 -3.850) 6.777 11.021 ( 0.610 -5.100 -1.612) 5.384 11.309 ( -4.018 1.792 -0.549) 4.433 11.388 ( -0.078 4.773 6.457) 8.030 11.664 ( -4.058 4.235 2.600) 6.416 11.708 ( -3.482 5.033 0.659) 6.155 11.797 ( -1.013 3.379 -0.271) 3.538 11.974 ( 0.405 3.089 -2.686) 4.114 12.045 ( 2.094 3.360 -2.080) 4.472 12.179 ( 1.820 -4.945 0.484) 5.291 12.591 ( 1.952 3.476 -0.497) 4.018 12.608 ( 1.651 0.171 5.411) 5.660 12.971 ( -3.799 -5.237 3.275) 7.251 12.993 ( -4.567 -1.256 -5.121) 6.976 13.400 ( -3.012 -7.191 -5.380) 9.472 13.470 ( 0.341 -7.412 6.069) 9.585 13.916 ( 0.659 2.447 -0.050) 2.535 13.997 ( -1.187 0.581 1.936) 2.344 14.145 ( -0.502 -0.855 0.200) 1.012 14.403 ( 0.547 -2.182 -0.037) 2.250 14.585 ( 4.614 -6.059 -3.529) 8.393 14.766 ( 2.640 1.807 -3.907) 5.050 15.149 ( 4.714 0.612 -5.924) 7.595 15.366 ( 6.968 -1.116 -5.762) 9.111 18.519 ( -7.534 4.227 1.493) 8.767 18.924 ( 7.390 4.563 1.647) 8.840 19.219 ( -15.776 1.751 3.890) 16.343 19.832 ( 4.444 4.446 14.267) 15.591 19.973 ( -1.411 2.037 -7.619) 8.012 20.227 ( 7.190 -9.056 -2.404) 11.810 ======================= Grid point 180 (95/116) ======================= q-point: (-0.43 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 3.678 0.000 2.201) 4.287 1.986 ( 18.499 0.000 -18.875) 26.429 2.133 ( -7.697 -0.000 0.523) 7.715 2.169 ( -9.428 -0.000 -5.968) 11.158 2.597 ( -6.207 -0.000 4.321) 7.563 2.740 ( 2.532 0.000 -2.085) 3.280 3.060 ( -10.847 -0.000 -9.163) 14.199 3.126 ( 6.842 0.000 2.817) 7.399 3.257 ( 1.627 0.000 6.026) 6.242 3.347 ( -0.232 -0.000 -3.607) 3.614 3.768 ( -5.294 -0.000 -1.011) 5.390 4.088 ( 14.450 0.000 1.006) 14.485 4.187 ( -6.473 -0.000 4.353) 7.801 4.255 ( -27.884 -0.000 18.769) 33.613 4.406 ( 3.717 0.000 -0.898) 3.824 4.578 ( -6.560 -0.000 1.744) 6.788 4.717 ( -6.877 -0.000 0.640) 6.907 4.746 ( -3.268 -0.000 7.684) 8.350 4.840 ( 4.773 0.000 -0.069) 4.773 4.914 ( -1.319 -0.000 0.628) 1.460 5.113 ( 2.021 0.000 -4.069) 4.544 5.203 ( 13.923 0.000 -8.187) 16.151 5.245 ( -2.491 -0.000 -5.743) 6.260 5.430 ( 8.778 0.000 -0.435) 8.788 5.625 ( -4.945 -0.000 0.532) 4.973 5.772 ( 5.671 0.000 -1.437) 5.850 5.914 ( -4.049 -0.000 1.162) 4.213 5.977 ( 4.714 0.000 0.541) 4.745 5.987 ( -6.270 -0.000 4.744) 7.863 6.312 ( 11.784 0.000 -5.964) 13.207 6.336 ( -8.654 -0.000 4.102) 9.577 6.505 ( -4.547 -0.000 0.828) 4.622 6.584 ( -5.612 -0.000 -3.197) 6.458 6.684 ( 5.956 0.000 0.582) 5.984 6.844 ( -11.718 -0.000 9.355) 14.994 6.904 ( -10.796 -0.000 -3.946) 11.495 7.097 ( 3.459 0.000 -0.174) 3.463 7.120 ( 11.749 0.000 0.897) 11.784 7.245 ( 5.607 0.000 0.520) 5.632 7.449 ( 5.168 0.000 -8.744) 10.157 7.579 ( 6.676 0.000 -4.500) 8.050 7.583 ( 2.641 0.000 2.750) 3.812 7.808 ( 0.607 0.000 -1.278) 1.415 7.930 ( -3.141 -0.000 -0.446) 3.172 8.004 ( -5.958 -0.000 4.020) 7.187 8.147 ( 10.295 0.000 -4.265) 11.144 8.223 ( -0.616 -0.000 -9.182) 9.202 8.350 ( 13.975 0.000 -3.991) 14.534 8.641 ( -3.302 -0.000 7.755) 8.429 8.879 ( 3.705 0.000 -4.206) 5.605 9.302 ( -13.066 -0.000 11.148) 17.176 9.532 ( -1.657 -0.000 2.534) 3.028 9.638 ( -0.365 -0.000 -2.958) 2.981 9.811 ( 10.788 0.000 -5.837) 12.265 10.108 ( -5.033 -0.000 -1.933) 5.391 10.176 ( 9.396 0.000 6.544) 11.451 10.332 ( -3.724 -0.000 2.118) 4.284 10.411 ( -0.135 -0.000 -0.798) 0.810 10.492 ( -6.955 -0.000 2.178) 7.288 10.659 ( -4.238 -0.000 -0.526) 4.270 10.678 ( 0.291 0.000 3.777) 3.788 10.709 ( 1.574 0.000 -6.834) 7.013 11.511 ( -0.371 -0.000 3.998) 4.015 11.567 ( -2.121 -0.000 -3.464) 4.062 11.715 ( -4.371 -0.000 4.774) 6.473 11.751 ( -6.221 -0.000 2.731) 6.794 11.994 ( -0.840 -0.000 -0.811) 1.168 12.036 ( 4.878 0.000 2.479) 5.472 12.125 ( -2.965 -0.000 4.419) 5.322 12.359 ( -6.195 -0.000 -12.282) 13.756 12.450 ( 2.375 0.000 7.269) 7.648 12.608 ( 3.659 0.000 -1.932) 4.138 12.745 ( -3.418 -0.000 3.731) 5.060 12.846 ( 1.950 0.000 0.131) 1.954 13.295 ( -2.583 -0.000 -1.527) 3.001 13.357 ( -0.390 -0.000 -3.104) 3.128 13.943 ( 3.255 0.000 5.862) 6.705 14.026 ( -1.377 -0.000 -7.907) 8.026 14.168 ( 2.720 0.000 -2.529) 3.714 14.175 ( 8.582 0.000 1.063) 8.648 14.528 ( -10.163 -0.000 5.689) 11.647 14.970 ( 9.659 0.000 -11.148) 14.750 15.067 ( -0.490 -0.000 0.929) 1.050 15.291 ( 9.135 0.000 -8.637) 12.572 18.818 ( -7.376 -0.000 0.623) 7.402 18.934 ( 3.199 0.000 6.393) 7.148 19.345 ( -10.387 -0.000 5.226) 11.627 19.728 ( 3.632 0.000 -9.260) 9.947 19.833 ( 0.857 0.000 20.382) 20.400 20.206 ( 0.917 0.000 -11.948) 11.983 ======================= Grid point 181 (96/116) ======================= q-point: (-0.29 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 6.526 3.701 1.367) 7.626 1.946 ( -9.508 2.471 -2.548) 10.149 2.039 ( 7.450 -2.231 -9.246) 12.082 2.125 ( -9.023 -5.723 0.147) 10.686 2.612 ( -0.050 -3.383 5.794) 6.710 2.778 ( -3.031 0.979 3.277) 4.570 2.841 ( 3.405 0.842 -9.023) 9.681 3.151 ( -2.886 1.584 -3.670) 4.930 3.297 ( 0.861 0.033 -3.048) 3.167 3.510 ( 7.004 -10.668 10.584) 16.579 3.770 ( 2.623 -1.379 3.101) 4.289 3.984 ( -17.045 8.056 4.482) 19.379 4.003 ( -36.974 -4.739 17.678) 41.256 4.252 ( 3.943 10.562 -5.214) 12.421 4.369 ( -0.152 7.728 3.043) 8.307 4.480 ( 6.564 -3.587 -1.402) 7.610 4.690 ( -6.762 0.554 2.673) 7.292 4.813 ( 1.785 -0.625 -3.531) 4.006 4.834 ( 4.792 2.292 2.939) 6.071 4.925 ( 1.450 -1.768 -3.192) 3.926 5.092 ( 1.458 3.314 -7.975) 8.759 5.214 ( 0.746 -10.304 0.627) 10.350 5.371 ( 7.513 -4.061 -2.777) 8.980 5.473 ( 2.930 2.511 -2.414) 4.551 5.603 ( -2.214 -1.224 2.899) 3.847 5.762 ( 0.881 3.072 0.133) 3.199 5.881 ( -4.857 4.863 3.810) 7.858 5.993 ( -1.411 -9.267 -1.459) 9.487 6.094 ( 2.517 -5.400 0.146) 5.959 6.311 ( -3.410 2.123 -1.778) 4.393 6.366 ( 8.882 6.072 -2.888) 11.140 6.400 ( -4.675 -0.114 -2.831) 5.466 6.530 ( -3.974 -3.082 3.408) 6.075 6.652 ( -6.731 3.184 0.153) 7.448 6.775 ( 1.522 1.046 -1.764) 2.554 6.836 ( -11.396 -3.461 6.710) 13.670 7.086 ( 2.043 5.195 0.524) 5.607 7.237 ( 7.271 0.586 -2.664) 7.766 7.329 ( 6.449 -1.065 -1.772) 6.773 7.413 ( 3.388 2.677 -2.187) 4.840 7.531 ( 2.795 5.399 -2.067) 6.421 7.733 ( 4.492 -6.213 0.735) 7.702 7.798 ( 6.977 3.019 -4.816) 8.999 7.929 ( 1.384 1.171 3.050) 3.548 8.013 ( -2.460 -1.239 6.130) 6.721 8.131 ( -0.872 -0.686 -7.497) 7.579 8.260 ( 9.125 -4.915 -7.959) 13.067 8.470 ( 14.136 3.381 -3.549) 14.962 8.698 ( -2.098 -4.454 4.961) 6.989 8.904 ( 4.866 -0.368 -3.240) 5.858 9.211 ( -13.346 1.539 8.040) 15.657 9.526 ( -1.559 2.249 1.948) 3.359 9.667 ( 1.762 -4.922 2.537) 5.811 9.834 ( 9.460 5.860 -6.048) 12.665 10.049 ( -2.910 -0.062 -0.446) 2.945 10.279 ( -2.050 -0.974 -1.016) 2.487 10.336 ( 4.338 3.691 5.863) 8.174 10.390 ( -7.083 1.828 1.080) 7.395 10.456 ( 1.570 -3.553 0.665) 3.941 10.593 ( -6.046 -2.190 0.021) 6.431 10.700 ( 1.228 0.704 1.641) 2.168 10.780 ( 0.709 -8.278 -0.477) 8.322 11.425 ( -5.491 5.297 -2.428) 8.006 11.518 ( -0.670 2.282 3.566) 4.286 11.703 ( -8.076 -1.396 1.776) 8.386 11.753 ( -3.400 -1.688 6.941) 7.911 11.948 ( -2.726 4.889 -4.642) 7.272 12.017 ( -1.483 1.853 2.633) 3.545 12.099 ( 0.154 1.112 -5.680) 5.790 12.176 ( -4.266 0.958 -4.791) 6.486 12.531 ( 0.805 -0.465 6.540) 6.605 12.694 ( 5.970 -1.876 0.863) 6.317 12.774 ( -2.369 -2.473 1.956) 3.944 12.898 ( -0.776 -5.462 -1.592) 5.742 13.251 ( -3.487 -0.473 2.111) 4.104 13.351 ( -0.079 -2.439 -1.972) 3.137 13.953 ( 1.785 0.146 -5.729) 6.002 14.051 ( 0.822 -3.211 5.315) 6.264 14.126 ( 3.192 6.299 -0.693) 7.096 14.356 ( 11.488 -5.062 -2.591) 12.818 14.457 ( -9.461 -0.076 4.805) 10.611 14.914 ( 4.561 6.923 -4.934) 9.647 15.125 ( 4.452 -3.712 -4.280) 7.205 15.325 ( 8.553 -0.380 -8.010) 11.724 18.687 ( -8.391 5.124 1.254) 9.911 19.010 ( 4.298 2.208 2.486) 5.434 19.249 ( -12.756 0.701 5.504) 13.910 19.730 ( 0.775 -8.612 -7.377) 11.366 20.026 ( 1.335 1.429 17.715) 17.822 20.142 ( 6.758 1.535 -8.405) 10.894 ======================= Grid point 182 (97/116) ======================= q-point: (-0.14 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 9.454 10.464 -0.849) 14.128 1.852 ( -3.751 -4.418 -4.570) 7.380 2.055 ( -16.237 -7.121 9.048) 19.905 2.108 ( 0.839 -4.465 -3.067) 5.482 2.619 ( -3.115 1.604 -5.876) 6.841 2.834 ( -0.346 -3.299 4.488) 5.581 2.943 ( 11.145 -4.808 2.220) 12.339 3.059 ( 1.162 1.838 -4.075) 4.619 3.337 ( 5.349 -2.307 0.343) 5.835 3.595 ( -10.622 11.572 -4.118) 16.239 3.747 ( -28.031 -12.296 15.509) 34.314 3.893 ( 2.535 -1.717 9.101) 9.602 3.935 ( -4.384 -4.429 6.404) 8.935 4.096 ( -1.862 3.252 7.350) 8.251 4.323 ( -3.420 0.596 5.281) 6.320 4.529 ( -5.104 6.850 -3.619) 9.277 4.617 ( -0.050 -4.331 -5.145) 6.726 4.756 ( 7.838 2.821 -2.543) 8.710 4.899 ( 3.409 0.980 -6.220) 7.160 4.985 ( 9.837 0.137 3.788) 10.542 5.079 ( 0.658 -0.947 -0.621) 1.310 5.353 ( -0.264 3.827 0.461) 3.864 5.382 ( -1.711 -6.120 2.117) 6.698 5.455 ( 2.616 0.612 -6.367) 6.911 5.657 ( -0.625 -3.693 2.063) 4.277 5.705 ( -4.559 -1.019 -4.993) 6.838 5.809 ( -5.499 3.430 5.679) 8.617 5.984 ( -4.295 1.160 -4.133) 6.072 6.119 ( 2.285 5.784 -6.160) 8.753 6.237 ( -5.072 3.099 4.740) 7.602 6.253 ( 7.720 5.151 -8.881) 12.846 6.423 ( -3.089 -11.146 -2.372) 11.806 6.597 ( 1.437 -4.305 1.918) 4.927 6.665 ( 4.788 -1.369 3.937) 6.348 6.760 ( -1.543 -1.090 -0.503) 1.955 6.805 ( -8.722 -1.772 5.403) 10.412 7.014 ( 2.540 7.134 -0.059) 7.573 7.176 ( -4.510 2.857 -3.832) 6.571 7.384 ( 2.444 3.775 0.661) 4.545 7.437 ( 4.295 0.708 -0.889) 4.442 7.564 ( 9.251 -2.758 -0.834) 9.690 7.770 ( -0.926 0.909 0.634) 1.444 7.855 ( 2.563 1.745 0.615) 3.161 7.961 ( 8.020 -1.036 -8.216) 11.528 8.051 ( 3.871 1.219 5.796) 7.076 8.128 ( -0.346 -0.878 1.597) 1.855 8.335 ( 5.921 -2.527 -7.906) 10.195 8.522 ( 8.774 5.029 -2.933) 10.530 8.789 ( 1.998 -6.254 -4.744) 8.101 8.888 ( -4.088 4.106 1.129) 5.903 9.152 ( -3.548 -3.068 4.929) 6.804 9.495 ( -1.985 1.869 3.634) 4.543 9.756 ( 4.264 3.680 -3.173) 6.465 9.867 ( 7.236 -1.623 4.465) 8.656 10.033 ( -0.538 -0.848 2.902) 3.070 10.229 ( -4.778 0.209 -1.169) 4.924 10.281 ( -5.915 -0.417 -1.606) 6.143 10.388 ( 1.530 1.831 3.409) 4.161 10.497 ( -3.612 -2.235 -0.749) 4.313 10.576 ( -0.471 -0.867 1.067) 1.453 10.710 ( 0.127 -0.764 0.002) 0.775 10.916 ( 0.510 -7.390 -0.631) 7.434 11.293 ( -3.287 2.888 0.373) 4.391 11.504 ( -0.933 3.731 5.416) 6.643 11.635 ( -7.062 -1.167 1.743) 7.367 11.703 ( -8.766 5.654 -1.793) 10.584 11.814 ( -1.011 0.152 1.407) 1.739 11.976 ( -1.487 1.436 -6.119) 6.459 12.089 ( 3.977 -1.429 -1.450) 4.468 12.144 ( 0.686 -1.258 0.705) 1.597 12.604 ( -0.051 -1.473 4.501) 4.736 12.741 ( 1.454 3.362 -1.312) 3.891 12.795 ( -4.332 -6.364 0.272) 7.703 12.927 ( -1.126 -1.034 1.571) 2.192 13.253 ( -3.392 -3.134 -0.806) 4.688 13.420 ( 0.411 -6.166 4.231) 7.490 13.964 ( 4.893 -0.518 -3.460) 6.015 14.061 ( 0.406 6.248 1.979) 6.566 14.128 ( -1.524 -1.476 3.730) 4.291 14.384 ( -5.537 1.037 2.636) 6.219 14.536 ( 10.486 -5.486 -5.431) 13.021 14.828 ( 1.791 5.994 -1.800) 6.509 15.173 ( 6.763 -0.232 -6.801) 9.594 15.374 ( 6.499 -1.773 -6.069) 9.067 18.512 ( -7.625 5.387 1.446) 9.447 19.049 ( 3.354 -0.436 0.058) 3.383 19.110 ( -10.936 4.426 5.283) 12.927 19.813 ( -0.595 -9.375 -7.662) 12.122 20.111 ( 4.212 6.814 9.720) 12.596 20.203 ( 5.234 -3.080 -0.292) 6.080 ======================= Grid point 188 (98/116) ======================= q-point: (-0.29 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -6.017 -0.000 12.397) 13.780 1.881 ( -22.220 -0.000 15.945) 27.349 1.958 ( 3.690 0.000 -2.128) 4.260 2.076 ( 18.174 0.000 -19.044) 26.325 2.688 ( 5.789 0.000 6.817) 8.943 2.712 ( -4.745 -0.000 -9.035) 10.205 2.837 ( -0.562 -0.000 8.222) 8.241 3.096 ( -6.681 -0.000 -2.000) 6.974 3.289 ( 4.759 0.000 -1.881) 5.117 3.611 ( -13.587 -0.000 20.247) 24.384 3.726 ( -16.757 -0.000 17.839) 24.475 3.809 ( 7.234 0.000 -2.474) 7.646 3.891 ( -17.118 -0.000 6.747) 18.400 4.195 ( -15.259 -0.000 -6.112) 16.437 4.418 ( 5.624 0.000 -3.872) 6.828 4.608 ( 0.347 0.000 -0.689) 0.771 4.638 ( 7.064 0.000 -5.338) 8.854 4.839 ( 1.337 0.000 -6.715) 6.847 4.843 ( 6.863 0.000 -0.053) 6.864 4.936 ( -0.672 -0.000 5.718) 5.757 5.025 ( -3.797 -0.000 -5.215) 6.451 5.195 ( 7.947 0.000 2.074) 8.213 5.412 ( 14.364 0.000 -11.319) 18.288 5.501 ( -3.661 -0.000 -2.351) 4.351 5.591 ( -4.120 -0.000 5.927) 7.218 5.775 ( -15.419 -0.000 0.317) 15.422 5.835 ( -2.651 -0.000 2.821) 3.871 5.851 ( 0.073 0.000 -2.488) 2.489 6.144 ( 6.673 0.000 1.882) 6.934 6.283 ( -4.893 -0.000 -7.378) 8.853 6.370 ( 0.890 0.000 -2.519) 2.672 6.402 ( -1.751 -0.000 5.182) 5.470 6.475 ( 2.557 0.000 -4.653) 5.309 6.642 ( -6.005 -0.000 0.925) 6.076 6.712 ( -8.349 -0.000 8.439) 11.871 6.860 ( 5.511 0.000 1.744) 5.780 7.135 ( -0.870 -0.000 3.334) 3.446 7.299 ( 7.556 0.000 -6.899) 10.232 7.363 ( 2.883 0.000 -2.417) 3.762 7.450 ( 4.881 0.000 -4.090) 6.368 7.664 ( 3.049 0.000 3.134) 4.372 7.674 ( 1.442 0.000 2.621) 2.992 7.858 ( 8.278 0.000 -8.123) 11.597 8.025 ( 1.684 0.000 8.074) 8.248 8.047 ( 1.613 0.000 -7.628) 7.797 8.104 ( 4.889 0.000 7.119) 8.636 8.265 ( 11.410 0.000 -9.743) 15.004 8.623 ( 11.572 0.000 -5.459) 12.795 8.669 ( -2.336 -0.000 2.436) 3.375 8.942 ( 6.188 0.000 -4.264) 7.515 9.131 ( -11.724 -0.000 7.951) 14.165 9.549 ( -1.843 -0.000 -0.051) 1.844 9.666 ( 1.772 0.000 5.816) 6.080 9.931 ( 9.791 0.000 -6.356) 11.673 10.036 ( -0.432 -0.000 0.514) 0.671 10.181 ( -10.882 -0.000 -2.757) 11.226 10.351 ( -4.405 -0.000 -1.739) 4.736 10.361 ( -2.227 -0.000 3.955) 4.539 10.512 ( -3.221 -0.000 0.596) 3.276 10.568 ( 4.962 0.000 7.658) 9.125 10.713 ( 3.334 0.000 -2.390) 4.103 10.736 ( -2.322 -0.000 3.295) 4.031 11.398 ( -2.968 -0.000 -2.755) 4.050 11.493 ( -4.594 -0.000 1.712) 4.902 11.643 ( -8.993 -0.000 6.450) 11.067 11.752 ( -2.407 -0.000 4.577) 5.172 11.859 ( -9.690 -0.000 -4.942) 10.878 11.989 ( -4.091 -0.000 -10.775) 11.526 12.020 ( 0.335 0.000 0.322) 0.465 12.160 ( 1.760 0.000 0.542) 1.841 12.608 ( 0.078 0.000 6.301) 6.301 12.643 ( -3.296 -0.000 0.625) 3.354 12.775 ( -3.088 -0.000 -4.412) 5.386 12.924 ( 9.418 0.000 5.115) 10.718 13.230 ( -4.230 -0.000 4.184) 5.950 13.316 ( -0.382 -0.000 -0.001) 0.382 13.934 ( 5.314 0.000 -6.471) 8.373 14.092 ( -1.273 -0.000 8.153) 8.252 14.221 ( 5.745 0.000 -4.297) 7.174 14.336 ( -8.922 -0.000 6.773) 11.202 14.491 ( 10.660 0.000 -1.071) 10.713 15.008 ( 7.054 0.000 -7.496) 10.293 15.088 ( 1.720 0.000 -0.577) 1.814 15.349 ( 7.220 0.000 -7.753) 10.594 18.629 ( -8.558 -0.000 0.756) 8.591 19.082 ( -3.734 -0.000 5.581) 6.715 19.194 ( -3.325 -0.000 0.733) 3.404 19.550 ( 0.109 0.000 -11.398) 11.399 20.173 ( 8.058 0.000 -6.839) 10.570 20.226 ( 0.220 0.000 17.995) 17.997 ======================= Grid point 189 (99/116) ======================= q-point: (-0.14 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -13.892 -4.297 17.510) 22.761 1.808 ( -13.883 -0.103 19.990) 24.338 1.967 ( 10.565 8.458 -2.297) 13.727 2.126 ( 12.338 4.627 -12.513) 18.171 2.597 ( -0.629 0.224 -2.160) 2.261 2.876 ( -0.518 3.209 7.602) 8.268 2.945 ( 0.695 -15.919 8.354) 17.991 3.029 ( -2.838 -3.478 1.881) 4.867 3.338 ( -1.179 -0.422 0.342) 1.298 3.495 ( -18.516 2.940 20.469) 27.757 3.633 ( -7.423 12.361 -1.775) 14.528 3.875 ( -2.880 -5.924 5.680) 8.698 3.930 ( 3.100 -5.435 2.953) 6.919 4.054 ( -6.697 -8.113 0.667) 10.541 4.401 ( 2.476 6.552 3.881) 8.007 4.484 ( -3.626 2.593 -4.633) 6.429 4.664 ( 4.448 7.378 -5.622) 10.288 4.844 ( 7.209 1.221 -4.375) 8.520 4.883 ( 2.928 -1.686 -7.302) 8.046 4.973 ( 0.948 -8.670 -0.921) 8.770 5.086 ( 2.333 -3.273 3.670) 5.443 5.322 ( -2.621 -1.510 0.280) 3.037 5.358 ( -2.259 -0.119 -4.429) 4.973 5.429 ( 0.649 5.310 -4.344) 6.891 5.544 ( -11.770 -0.225 -3.914) 12.406 5.628 ( -1.447 -3.760 2.113) 4.549 5.795 ( -4.544 -1.538 1.723) 5.097 5.941 ( 3.957 -4.216 -0.999) 5.867 6.172 ( 0.626 -3.715 -5.967) 7.057 6.245 ( 4.354 -0.195 -0.580) 4.396 6.291 ( 1.220 9.592 -1.439) 9.776 6.383 ( -1.227 5.952 -1.655) 6.298 6.518 ( 0.341 -7.113 5.092) 8.754 6.653 ( -0.769 -5.522 1.032) 5.670 6.695 ( -9.223 -2.723 4.156) 10.476 6.878 ( 3.868 7.848 3.428) 9.397 7.124 ( 2.734 5.302 -1.350) 6.116 7.222 ( 1.302 8.465 -1.197) 8.648 7.437 ( 1.309 -1.198 0.269) 1.794 7.504 ( 6.483 -3.885 -2.670) 8.016 7.633 ( 5.345 5.046 -0.006) 7.350 7.766 ( -0.138 0.497 0.539) 0.746 7.911 ( 6.696 -1.529 -1.678) 7.071 7.996 ( 4.956 2.426 -4.230) 6.953 8.133 ( 0.710 -1.917 4.033) 4.521 8.212 ( 3.360 1.233 7.011) 7.872 8.323 ( 10.978 -0.240 -10.056) 14.889 8.642 ( 5.358 3.260 -6.875) 9.306 8.706 ( 3.029 -4.456 -2.163) 5.806 8.899 ( -5.748 4.487 0.672) 7.323 9.148 ( 4.071 -1.744 3.360) 5.559 9.490 ( -4.187 1.001 -1.390) 4.524 9.775 ( 0.820 -1.987 4.509) 4.995 9.936 ( -2.676 1.365 -4.431) 5.353 10.045 ( -0.243 -4.086 -1.173) 4.258 10.079 ( -3.724 -4.409 -0.926) 5.845 10.239 ( -3.992 3.821 -0.561) 5.554 10.413 ( -2.635 -1.855 4.785) 5.769 10.477 ( 0.723 3.831 1.608) 4.218 10.622 ( 1.583 0.107 2.342) 2.829 10.690 ( -3.256 1.915 -0.119) 3.779 10.825 ( 1.819 -7.152 0.045) 7.380 11.327 ( -0.700 3.825 1.756) 4.267 11.501 ( -4.619 -5.078 1.325) 6.991 11.561 ( -9.009 1.493 4.871) 10.350 11.651 ( -6.777 5.379 -2.806) 9.096 11.785 ( -2.694 -2.796 -0.541) 3.920 11.886 ( -1.746 -0.956 -5.425) 5.779 12.071 ( 2.138 -4.586 0.374) 5.074 12.169 ( 2.107 1.170 -1.350) 2.762 12.587 ( -6.502 -0.102 1.232) 6.618 12.647 ( -5.652 -3.272 1.950) 6.816 12.759 ( 3.197 -0.242 0.129) 3.208 13.053 ( 7.517 2.448 4.395) 9.045 13.215 ( -1.221 1.826 3.417) 4.062 13.384 ( 1.553 -5.686 4.909) 7.671 13.971 ( 5.762 -1.422 -4.503) 7.449 14.142 ( -3.326 -0.372 8.070) 8.737 14.171 ( -1.883 6.590 1.814) 7.089 14.326 ( -3.005 -3.040 0.850) 4.358 14.618 ( 12.920 1.171 -3.217) 13.366 14.937 ( 1.594 7.930 -1.772) 8.280 15.165 ( 5.496 -4.121 -5.093) 8.551 15.369 ( 5.147 -1.161 -6.369) 8.271 18.501 ( -7.706 4.013 1.419) 8.803 19.036 ( -8.426 2.412 8.218) 12.015 19.131 ( 0.575 1.778 -6.430) 6.696 19.570 ( 1.535 -11.574 -10.084) 15.427 20.223 ( 8.268 -0.558 -5.468) 9.928 20.312 ( -4.121 4.267 12.659) 13.980 ======================= Grid point 196 (100/116) ======================= q-point: (-0.14 -0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -16.742 -0.000 26.049) 30.965 1.811 ( -11.406 -0.000 25.096) 27.567 2.263 ( 16.870 0.000 -8.799) 19.027 2.273 ( 16.009 0.000 -1.423) 16.072 2.608 ( 2.952 0.000 3.257) 4.396 2.746 ( -18.216 -0.000 22.178) 28.700 2.966 ( 0.391 0.000 1.554) 1.603 3.042 ( 1.249 0.000 5.274) 5.420 3.389 ( 4.311 0.000 -0.135) 4.313 3.518 ( -9.449 -0.000 15.612) 18.249 3.658 ( -11.066 -0.000 3.862) 11.721 3.831 ( -1.479 -0.000 -3.108) 3.442 3.891 ( -0.821 -0.000 4.612) 4.684 3.914 ( 3.014 0.000 -3.270) 4.447 4.395 ( 3.206 0.000 -5.936) 6.746 4.638 ( 0.889 0.000 5.133) 5.209 4.719 ( 0.955 0.000 -1.311) 1.622 4.797 ( 2.868 0.000 -5.049) 5.807 4.809 ( 0.275 0.000 -5.956) 5.962 4.953 ( -1.606 -0.000 -2.129) 2.667 5.080 ( 0.861 0.000 -3.279) 3.390 5.181 ( -7.313 -0.000 -9.307) 11.837 5.279 ( -7.672 -0.000 -0.745) 7.708 5.386 ( -8.259 -0.000 1.279) 8.358 5.491 ( 9.720 0.000 -12.867) 16.126 5.584 ( -7.866 -0.000 12.245) 14.554 5.684 ( -4.664 -0.000 -4.942) 6.796 6.015 ( 9.694 0.000 5.216) 11.009 6.121 ( 7.842 0.000 -8.022) 11.218 6.274 ( 3.246 0.000 -8.400) 9.005 6.394 ( 0.226 0.000 2.292) 2.303 6.443 ( -0.970 -0.000 4.425) 4.530 6.531 ( -0.334 -0.000 7.286) 7.294 6.574 ( -2.933 -0.000 3.089) 4.259 6.587 ( -7.119 -0.000 0.530) 7.139 6.992 ( 3.357 0.000 -4.077) 5.281 7.248 ( 3.709 0.000 5.519) 6.649 7.358 ( 1.756 0.000 1.228) 2.143 7.407 ( 2.750 0.000 -0.122) 2.753 7.473 ( 6.354 0.000 -6.967) 9.429 7.739 ( -0.847 -0.000 0.311) 0.902 7.799 ( 2.190 0.000 1.976) 2.949 7.975 ( 11.492 0.000 -3.709) 12.076 8.075 ( 7.225 0.000 -1.148) 7.316 8.160 ( -0.193 -0.000 5.569) 5.573 8.264 ( -4.152 -0.000 6.326) 7.567 8.381 ( 11.404 0.000 -9.789) 15.029 8.624 ( 1.434 0.000 -9.765) 9.870 8.722 ( 7.711 0.000 -1.949) 7.953 8.878 ( -8.373 -0.000 6.075) 10.345 9.257 ( 11.832 0.000 -1.074) 11.880 9.417 ( -4.313 -0.000 -4.002) 5.883 9.701 ( -18.179 -0.000 -2.820) 18.396 9.834 ( -4.004 -0.000 2.912) 4.951 9.868 ( -9.492 -0.000 -4.236) 10.394 10.115 ( 8.164 0.000 -5.480) 9.833 10.230 ( -0.348 -0.000 -0.497) 0.607 10.425 ( -5.028 -0.000 9.485) 10.735 10.575 ( -4.125 -0.000 0.917) 4.226 10.608 ( 7.966 0.000 4.073) 8.947 10.707 ( -2.571 -0.000 -0.037) 2.571 10.775 ( 2.462 0.000 0.143) 2.466 11.387 ( -9.119 -0.000 4.946) 10.374 11.404 ( 2.129 0.000 1.416) 2.557 11.469 ( -8.329 -0.000 0.979) 8.387 11.662 ( -3.895 -0.000 -2.922) 4.869 11.669 ( -0.392 -0.000 -2.044) 2.081 11.831 ( -2.155 -0.000 -2.263) 3.125 12.054 ( 0.431 0.000 2.208) 2.249 12.193 ( 3.401 0.000 -2.085) 3.989 12.523 ( -6.527 -0.000 -0.202) 6.531 12.574 ( -5.761 -0.000 4.437) 7.272 12.800 ( 3.018 0.000 -1.379) 3.318 13.144 ( 4.433 0.000 -1.993) 4.860 13.397 ( 1.600 0.000 7.754) 7.917 13.403 ( 14.631 0.000 8.981) 17.168 13.995 ( 5.282 0.000 -3.854) 6.539 14.151 ( -9.350 -0.000 10.019) 13.704 14.197 ( -6.918 -0.000 4.431) 8.215 14.298 ( 7.203 0.000 -4.536) 8.512 14.771 ( 11.396 0.000 -1.043) 11.443 15.029 ( 2.422 0.000 -4.035) 4.706 15.124 ( 2.368 0.000 -0.998) 2.569 15.352 ( 2.574 0.000 -5.837) 6.379 18.461 ( -5.838 -0.000 1.532) 6.036 19.007 ( -7.601 -0.000 -10.933) 13.315 19.050 ( -7.074 -0.000 9.222) 11.623 19.430 ( 5.454 0.000 -9.323) 10.801 20.275 ( 7.897 0.000 -4.416) 9.048 20.351 ( -10.261 -0.000 8.879) 13.569 ======================= Grid point 197 (101/116) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 3.240 0.000 -8.333) 8.940 2.179 ( -3.240 -0.000 8.333) 8.940 2.476 ( 12.593 0.000 -13.528) 18.482 2.476 ( -12.593 -0.000 13.528) 18.482 2.822 ( -1.201 -0.000 -16.649) 16.693 2.822 ( 1.201 0.000 16.649) 16.693 3.186 ( -6.391 -0.000 -2.337) 6.805 3.186 ( 6.391 0.000 2.337) 6.805 3.568 ( 5.014 0.000 -4.752) 6.908 3.568 ( -5.014 -0.000 4.752) 6.908 3.728 ( 6.148 0.000 -8.125) 10.189 3.728 ( -6.148 -0.000 8.125) 10.189 3.965 ( -6.907 -0.000 0.677) 6.940 3.965 ( 6.907 0.000 -0.677) 6.940 4.379 ( -8.295 -0.000 -4.071) 9.240 4.379 ( 8.295 0.000 4.071) 9.240 4.637 ( 17.184 0.000 -7.818) 18.879 4.637 ( -17.184 -0.000 7.818) 18.879 4.835 ( 11.429 0.000 -10.557) 15.559 4.835 ( -11.429 -0.000 10.557) 15.559 4.902 ( -12.032 -0.000 3.833) 12.627 4.902 ( 12.032 0.000 -3.833) 12.627 5.220 ( 0.594 0.000 -9.135) 9.154 5.220 ( -0.594 -0.000 9.135) 9.154 5.436 ( 1.870 0.000 -5.088) 5.420 5.436 ( -1.870 -0.000 5.088) 5.420 5.921 ( 3.598 0.000 -9.277) 9.950 5.921 ( -3.598 -0.000 9.277) 9.950 6.265 ( -14.024 -0.000 -0.130) 14.024 6.265 ( 14.024 0.000 0.130) 14.024 6.507 ( -5.163 -0.000 -1.594) 5.403 6.507 ( 5.163 0.000 1.594) 5.403 6.525 ( -2.399 -0.000 -8.205) 8.548 6.525 ( 2.399 0.000 8.205) 8.548 6.745 ( 2.158 0.000 -6.750) 7.087 6.745 ( -2.158 -0.000 6.750) 7.087 7.391 ( 1.880 0.000 -1.496) 2.403 7.391 ( -1.880 -0.000 1.496) 2.403 7.512 ( 0.587 0.000 -2.729) 2.791 7.512 ( -0.587 -0.000 2.729) 2.791 7.723 ( -3.413 -0.000 -2.589) 4.284 7.723 ( 3.413 0.000 2.589) 4.284 8.180 ( 3.159 0.000 -5.850) 6.649 8.180 ( -3.159 -0.000 5.850) 6.649 8.269 ( -3.877 -0.000 -6.097) 7.225 8.269 ( 3.877 0.000 6.097) 7.225 8.440 ( -3.815 -0.000 0.662) 3.872 8.440 ( 3.815 0.000 -0.662) 3.872 8.854 ( -10.589 -0.000 1.939) 10.765 8.854 ( 10.589 0.000 -1.939) 10.765 9.257 ( -2.728 -0.000 0.156) 2.732 9.257 ( 2.728 0.000 -0.156) 2.732 9.483 ( -4.952 -0.000 -2.915) 5.747 9.483 ( 4.952 0.000 2.915) 5.747 9.888 ( 4.865 0.000 -8.851) 10.100 9.888 ( -4.865 -0.000 8.851) 10.100 10.402 ( -6.445 -0.000 -1.375) 6.590 10.402 ( 6.445 0.000 1.375) 6.590 10.725 ( -1.244 -0.000 -4.078) 4.263 10.725 ( 1.244 0.000 4.078) 4.263 10.816 ( 7.366 0.000 -8.652) 11.363 10.816 ( -7.366 -0.000 8.652) 11.363 11.353 ( 4.622 0.000 -5.588) 7.251 11.353 ( -4.622 -0.000 5.588) 7.251 11.470 ( -1.068 -0.000 -4.559) 4.682 11.470 ( 1.068 0.000 4.559) 4.682 11.713 ( -5.380 -0.000 1.089) 5.489 11.713 ( 5.380 0.000 -1.089) 5.489 12.245 ( 6.613 0.000 -6.268) 9.112 12.245 ( -6.613 -0.000 6.268) 9.112 12.371 ( -0.377 -0.000 -2.173) 2.205 12.371 ( 0.377 0.000 2.173) 2.205 12.996 ( 0.030 0.000 -6.932) 6.933 12.996 ( -0.030 -0.000 6.932) 6.933 13.747 ( 8.093 0.000 -10.767) 13.469 13.747 ( -8.093 -0.000 10.767) 13.469 14.066 ( -13.703 -0.000 3.213) 14.074 14.066 ( 13.703 0.000 -3.213) 14.074 14.293 ( 6.441 0.000 -5.414) 8.414 14.293 ( -6.441 -0.000 5.414) 8.414 14.946 ( -3.272 -0.000 -0.580) 3.323 14.946 ( 3.272 0.000 0.580) 3.323 15.197 ( -2.954 -0.000 -1.684) 3.400 15.197 ( 2.954 0.000 1.684) 3.400 18.509 ( -3.915 -0.000 -3.676) 5.371 18.509 ( 3.915 0.000 3.676) 5.371 19.276 ( 7.753 0.000 -9.447) 12.221 19.276 ( -7.753 -0.000 9.447) 12.221 20.313 ( 11.824 0.000 -5.910) 13.218 20.313 ( -11.824 -0.000 5.910) 13.218 ======================= Grid point 199 (102/116) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -10.768 11.782 -1.567) 16.038 2.171 ( 4.054 3.058 -5.584) 7.547 2.386 ( 3.517 8.353 -13.510) 16.268 2.540 ( 2.949 4.588 3.426) 6.440 2.605 ( 4.106 2.871 -14.879) 15.700 2.956 ( 2.401 0.725 10.476) 10.772 3.090 ( -7.128 -3.729 -4.952) 9.446 3.227 ( -2.026 0.628 -2.643) 3.389 3.432 ( -4.262 6.541 -2.329) 8.147 3.502 ( -1.390 5.049 -0.255) 5.243 3.734 ( -2.710 -3.566 -1.174) 4.630 3.879 ( 7.274 -11.129 -2.330) 13.498 4.041 ( 2.528 -11.136 -5.235) 12.562 4.111 ( 2.407 -8.219 -0.121) 8.565 4.258 ( -1.871 4.341 4.431) 6.479 4.367 ( -3.972 9.605 10.762) 14.962 4.686 ( -0.259 -6.910 8.254) 10.768 4.696 ( -3.930 0.607 -7.553) 8.536 4.796 ( -8.886 0.431 4.697) 10.060 4.857 ( -5.281 -3.227 10.983) 12.607 4.913 ( 10.112 -5.614 -1.050) 11.614 5.011 ( 11.241 1.762 -5.537) 12.654 5.183 ( 10.733 -0.055 -6.422) 12.508 5.269 ( 4.465 6.431 4.671) 9.117 5.460 ( -2.210 -8.317 -1.497) 8.735 5.561 ( 2.284 -9.612 1.504) 9.994 5.904 ( 3.376 0.423 -4.459) 5.609 5.973 ( 0.116 0.796 4.074) 4.153 6.114 ( -12.034 -2.002 3.043) 12.573 6.276 ( -3.705 7.106 -2.999) 8.557 6.404 ( -3.794 1.312 -2.516) 4.738 6.489 ( -1.008 1.852 -1.806) 2.776 6.555 ( 8.495 -3.047 -3.526) 9.689 6.617 ( 2.153 2.306 6.517) 7.240 6.734 ( -1.779 -2.828 -1.321) 3.592 6.790 ( 0.546 -3.558 1.852) 4.048 7.325 ( -8.486 6.524 -2.822) 11.069 7.386 ( -1.545 4.871 -2.703) 5.781 7.408 ( -0.134 0.450 1.540) 1.611 7.542 ( 0.745 -2.879 1.368) 3.274 7.691 ( 0.863 1.186 0.514) 1.554 7.733 ( 0.444 5.868 1.528) 6.080 8.057 ( -9.633 7.328 -3.076) 12.488 8.103 ( 3.340 7.573 -5.162) 9.755 8.161 ( -0.472 3.935 4.555) 6.038 8.291 ( -1.656 3.835 5.753) 7.109 8.469 ( -4.912 -7.384 0.328) 8.874 8.504 ( 1.110 -3.809 -6.286) 7.433 8.724 ( -10.386 1.770 4.353) 11.399 8.904 ( 6.633 3.520 -3.659) 8.353 9.244 ( -0.408 0.224 3.738) 3.767 9.312 ( 1.483 -1.571 2.915) 3.629 9.464 ( 2.311 -0.350 -0.467) 2.384 9.678 ( 11.901 -7.028 2.391) 14.027 9.919 ( 3.157 -2.817 -0.625) 4.277 9.948 ( 1.872 -3.031 2.720) 4.482 10.321 ( -3.516 -0.227 -3.306) 4.831 10.493 ( 6.569 1.101 1.863) 6.916 10.640 ( -2.670 2.351 -2.819) 4.539 10.682 ( 0.333 4.945 -3.538) 6.089 10.799 ( -8.565 -2.983 2.341) 9.367 10.883 ( 2.822 -6.075 -4.297) 7.958 11.355 ( -0.893 0.447 4.019) 4.141 11.394 ( 3.683 0.747 0.627) 3.810 11.451 ( 0.078 -3.555 -1.323) 3.794 11.512 ( 0.511 0.053 1.104) 1.217 11.693 ( -2.533 -2.796 1.585) 4.092 11.784 ( 5.928 -1.418 -1.435) 6.262 12.144 ( -6.715 2.711 2.593) 7.692 12.257 ( -2.099 -5.844 -4.497) 7.667 12.366 ( 5.452 4.848 1.158) 7.387 12.527 ( 6.896 -5.107 3.577) 9.297 12.934 ( -0.484 -0.773 -7.527) 7.582 13.054 ( -0.533 -0.697 5.597) 5.665 13.641 ( -9.425 4.465 -3.027) 10.860 13.718 ( -3.858 -1.061 -2.219) 4.575 13.949 ( -5.700 1.096 1.597) 6.020 14.149 ( 9.831 5.744 -3.415) 11.888 14.289 ( -2.746 -1.422 2.649) 4.072 14.329 ( 7.060 -1.527 -6.953) 10.026 14.800 ( -8.890 8.114 1.794) 12.169 14.916 ( 2.495 6.898 -0.863) 7.386 15.167 ( -4.401 -1.551 0.442) 4.688 15.262 ( 1.249 -2.162 1.887) 3.130 18.468 ( -0.104 -0.405 -2.729) 2.761 18.661 ( 7.784 -4.154 6.993) 11.258 19.243 ( -4.023 -0.420 -1.807) 4.430 19.355 ( 3.223 -7.763 -0.076) 8.406 20.215 ( -10.609 1.891 6.774) 12.729 20.385 ( 11.265 3.223 -5.254) 12.841 ======================= Grid point 200 (103/116) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -12.133 13.266 5.494) 18.798 1.932 ( -3.760 15.924 -7.705) 18.085 2.306 ( 9.981 -3.293 -19.306) 21.982 2.453 ( 10.177 -4.710 -20.771) 23.605 2.637 ( 2.407 6.215 -0.288) 6.671 2.849 ( -3.918 4.130 0.517) 5.716 3.054 ( -8.462 11.383 4.274) 14.813 3.141 ( -1.974 1.996 4.119) 4.985 3.325 ( -5.563 3.701 1.479) 6.843 3.494 ( 2.239 -12.373 -4.701) 13.424 3.758 ( -0.898 -4.682 -1.417) 4.974 4.062 ( 3.870 -2.253 -0.763) 4.542 4.120 ( 8.667 -0.444 0.175) 8.680 4.210 ( -1.027 5.475 3.428) 6.540 4.261 ( 3.430 -5.330 -3.687) 7.333 4.373 ( -5.884 -3.848 9.619) 11.915 4.554 ( -4.911 -3.305 -9.439) 11.141 4.788 ( -2.304 -2.656 4.028) 5.346 4.852 ( 1.696 -7.025 3.932) 8.228 4.975 ( -4.579 -6.691 7.047) 10.742 4.997 ( 3.505 2.357 4.557) 6.214 5.139 ( 5.947 2.701 4.757) 8.080 5.248 ( 9.534 2.035 -3.233) 10.271 5.331 ( 13.641 -4.554 -6.980) 15.985 5.592 ( -2.208 -10.231 -0.201) 10.468 5.668 ( -5.822 -3.235 2.422) 7.087 5.872 ( -3.840 4.795 3.445) 7.043 5.956 ( 0.201 1.889 -1.436) 2.382 6.042 ( -4.841 1.623 -1.243) 5.255 6.150 ( -2.021 3.127 1.388) 3.974 6.292 ( -5.685 -0.541 0.644) 5.747 6.437 ( 2.250 0.016 -4.557) 5.082 6.636 ( 2.128 3.958 1.462) 4.725 6.698 ( 6.049 -4.806 -0.896) 7.778 6.749 ( -5.711 -5.178 3.135) 8.322 6.871 ( 2.181 -2.380 -1.433) 3.532 7.045 ( -1.596 9.451 -6.910) 11.816 7.280 ( -3.338 4.124 -3.709) 6.473 7.395 ( -0.416 2.977 2.432) 3.867 7.566 ( -3.861 6.030 -0.063) 7.161 7.634 ( 5.899 0.665 -1.214) 6.060 7.724 ( -2.697 -2.120 1.618) 3.793 7.836 ( -7.219 6.907 2.491) 10.297 8.018 ( 2.416 3.763 -2.865) 5.311 8.160 ( 1.442 2.862 2.816) 4.266 8.231 ( -5.208 3.590 3.948) 7.456 8.414 ( -3.574 4.407 -3.761) 6.807 8.490 ( -4.558 -0.994 2.601) 5.341 8.658 ( -5.252 -1.531 0.966) 5.555 8.904 ( 3.865 -0.330 -4.862) 6.219 9.307 ( -4.229 -1.520 -1.206) 4.653 9.339 ( 5.019 -3.338 4.390) 7.457 9.564 ( 7.314 2.038 7.322) 10.548 9.942 ( 11.197 -4.958 2.502) 12.498 10.001 ( -1.038 -2.253 6.054) 6.542 10.045 ( 3.557 -5.560 -3.685) 7.560 10.264 ( -0.239 0.177 -4.150) 4.161 10.505 ( 0.824 5.202 -1.077) 5.376 10.547 ( -0.522 3.753 -3.523) 5.174 10.646 ( 2.413 -3.656 -1.603) 4.665 10.729 ( -8.606 -0.599 -0.849) 8.668 10.941 ( -0.452 -4.077 -2.640) 4.878 11.381 ( 1.591 4.764 1.469) 5.233 11.413 ( -0.379 -3.152 3.765) 4.925 11.490 ( -0.091 -1.702 -0.961) 1.957 11.572 ( 3.883 -4.197 -0.153) 5.720 11.741 ( -1.120 -3.270 2.605) 4.328 11.871 ( 4.915 -2.798 -1.224) 5.786 12.071 ( -3.659 2.830 3.641) 5.887 12.259 ( -4.901 -4.698 -2.941) 7.399 12.434 ( 9.874 0.236 2.281) 10.137 12.670 ( 3.590 -1.497 1.404) 4.135 12.877 ( -1.240 -1.425 -6.019) 6.309 13.098 ( -1.622 -0.711 3.662) 4.068 13.396 ( -5.433 6.572 -8.897) 12.324 13.671 ( -4.829 -3.789 -2.162) 6.508 13.909 ( -3.256 0.591 2.814) 4.344 14.120 ( 4.044 5.011 -2.168) 6.794 14.229 ( -4.713 6.015 1.210) 7.736 14.392 ( 7.463 -1.340 -5.992) 9.664 14.623 ( -6.355 2.609 1.097) 6.956 14.822 ( 2.116 8.048 -1.308) 8.424 15.126 ( -4.664 0.715 2.174) 5.196 15.316 ( 0.228 -1.966 1.463) 2.462 18.453 ( 0.965 0.473 -1.899) 2.182 18.887 ( 7.231 -3.416 6.928) 10.581 19.174 ( -4.276 -0.925 -3.361) 5.517 19.560 ( 3.188 -12.589 1.868) 13.120 20.134 ( -8.097 1.770 7.510) 11.184 20.390 ( 8.813 6.596 -5.502) 12.306 ======================= Grid point 201 (104/116) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -5.122 7.461 3.468) 9.692 1.690 ( -1.770 3.785 -3.358) 5.361 2.313 ( 7.178 -3.248 -13.263) 15.426 2.446 ( 0.279 5.697 -3.052) 6.469 2.565 ( 4.946 -9.632 -11.735) 15.968 2.755 ( -8.983 13.280 11.484) 19.721 2.840 ( -2.799 2.233 -1.658) 3.945 3.183 ( 0.309 -1.960 0.965) 2.206 3.228 ( 0.498 4.140 3.319) 5.329 3.632 ( -0.447 -5.793 -3.527) 6.797 3.832 ( -0.503 -3.765 2.812) 4.727 4.104 ( 6.329 2.258 -1.333) 6.850 4.124 ( -1.601 3.089 3.397) 4.862 4.259 ( 4.291 2.343 2.231) 5.374 4.295 ( 1.655 -6.543 -7.349) 9.978 4.409 ( -5.884 -0.766 4.625) 7.523 4.531 ( 1.098 -4.278 -4.305) 6.167 4.841 ( -2.255 -2.941 1.868) 4.150 4.952 ( 1.484 -2.891 -2.971) 4.403 4.992 ( 3.332 7.177 3.370) 8.601 5.085 ( -3.097 -7.574 8.030) 11.465 5.230 ( 2.739 4.828 -0.842) 5.614 5.276 ( 2.362 -3.699 -1.604) 4.673 5.486 ( 6.306 -4.695 -3.265) 8.513 5.574 ( -8.487 2.313 2.796) 9.230 5.692 ( -1.930 -5.668 3.285) 6.830 5.781 ( -1.513 5.822 2.652) 6.574 5.903 ( 4.218 2.167 -7.206) 8.626 5.971 ( -1.842 -0.206 -2.209) 2.884 6.045 ( -3.380 5.745 1.996) 6.958 6.297 ( -0.714 -0.468 0.199) 0.876 6.467 ( -1.767 -0.202 -0.847) 1.970 6.645 ( -0.941 -7.076 5.792) 9.193 6.779 ( 3.014 0.667 1.394) 3.387 6.829 ( 4.703 -5.265 -2.890) 7.628 6.873 ( 0.610 0.520 -4.495) 4.566 6.960 ( 0.725 3.704 1.159) 3.948 7.122 ( -2.958 4.599 -4.647) 7.176 7.375 ( 1.118 1.560 1.061) 2.194 7.446 ( -2.959 2.547 -1.023) 4.036 7.652 ( -3.572 0.630 2.838) 4.606 7.716 ( 1.835 0.735 -1.590) 2.537 7.782 ( 2.664 -0.067 -0.544) 2.720 7.969 ( -4.282 1.247 2.105) 4.932 8.126 ( -1.299 2.871 0.220) 3.159 8.204 ( -1.390 -0.675 5.465) 5.679 8.297 ( 0.722 3.133 -4.753) 5.738 8.459 ( -2.077 1.418 1.306) 2.834 8.631 ( -1.596 -0.718 -0.645) 1.865 8.918 ( 1.296 -0.773 -1.595) 2.196 9.268 ( -1.960 -0.584 -0.688) 2.158 9.517 ( 5.973 -6.132 0.949) 8.613 9.624 ( -0.517 4.474 5.307) 6.961 10.033 ( -0.155 0.700 1.416) 1.587 10.094 ( 1.622 -2.767 -0.517) 3.249 10.141 ( 3.614 -2.255 1.499) 4.516 10.244 ( 1.089 0.143 -1.148) 1.589 10.425 ( -0.662 2.335 -1.335) 2.770 10.503 ( 4.231 -1.115 -5.032) 6.668 10.598 ( -8.446 2.929 0.712) 8.967 10.734 ( 1.736 -2.888 0.740) 3.449 10.947 ( -0.955 -0.772 -1.138) 1.674 11.347 ( 0.885 2.495 0.626) 2.720 11.436 ( -1.679 -2.070 -1.913) 3.280 11.566 ( 1.151 -1.843 6.069) 6.447 11.636 ( 1.770 -0.701 -2.647) 3.261 11.787 ( -0.202 -1.521 0.954) 1.807 11.953 ( 4.163 -2.967 -2.470) 5.677 12.023 ( -3.144 2.768 3.178) 5.257 12.244 ( -1.701 -1.297 -0.474) 2.191 12.595 ( 6.204 -2.948 2.066) 7.173 12.691 ( 0.399 0.664 -0.569) 0.961 12.852 ( -1.150 -2.054 -0.555) 2.419 13.031 ( -4.542 4.665 -2.603) 7.011 13.260 ( 1.445 0.600 -3.524) 3.855 13.690 ( -0.497 -5.023 -2.111) 5.472 13.872 ( -3.195 3.138 3.175) 5.489 14.084 ( 0.765 2.496 0.319) 2.630 14.096 ( -2.394 3.268 -0.336) 4.065 14.422 ( 2.679 0.180 -2.553) 3.705 14.592 ( -1.364 -2.364 -0.144) 2.733 14.729 ( 0.782 5.051 -0.504) 5.136 15.088 ( -1.889 0.635 1.226) 2.339 15.347 ( 0.026 -0.793 0.542) 0.961 18.444 ( 0.433 0.346 -0.621) 0.832 19.025 ( 3.836 -0.436 2.089) 4.390 19.122 ( -2.895 -0.972 -1.065) 3.234 19.760 ( 1.128 -6.867 0.743) 6.998 20.118 ( -3.963 -1.171 6.266) 7.506 20.322 ( 4.427 5.993 -4.813) 8.870 ======================= Grid point 206 (105/116) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -17.943 -0.000 5.878) 18.881 2.107 ( 14.187 0.000 -19.125) 23.812 2.362 ( -9.866 -0.000 -10.811) 14.636 2.457 ( -1.363 -0.000 -18.745) 18.794 2.749 ( 10.483 0.000 -5.703) 11.933 2.911 ( 1.144 0.000 0.504) 1.250 3.018 ( 3.174 0.000 -4.108) 5.191 3.154 ( -1.962 -0.000 -6.068) 6.377 3.410 ( -10.230 -0.000 0.394) 10.238 3.627 ( 5.478 0.000 3.216) 6.353 3.732 ( -5.973 -0.000 6.724) 8.993 3.813 ( 13.037 0.000 -9.974) 16.414 3.889 ( 2.054 0.000 -1.066) 2.314 4.091 ( 10.724 0.000 -9.005) 14.003 4.290 ( -3.830 -0.000 3.613) 5.265 4.538 ( -5.546 -0.000 13.243) 14.357 4.579 ( -15.228 -0.000 12.186) 19.504 4.649 ( -7.692 -0.000 7.412) 10.682 4.781 ( -0.467 -0.000 -6.636) 6.652 4.872 ( 6.984 0.000 5.235) 8.728 5.001 ( 2.214 0.000 11.137) 11.355 5.067 ( 2.627 0.000 -2.533) 3.650 5.311 ( 15.710 0.000 -5.077) 16.510 5.383 ( 8.380 0.000 -4.247) 9.395 5.447 ( 7.612 0.000 -3.657) 8.444 5.563 ( 4.663 0.000 8.256) 9.482 5.841 ( -1.080 -0.000 -8.649) 8.717 5.996 ( -3.216 -0.000 -0.766) 3.306 6.065 ( -1.090 -0.000 9.455) 9.517 6.161 ( -9.638 -0.000 -6.821) 11.808 6.434 ( -5.455 -0.000 3.117) 6.283 6.436 ( -1.199 -0.000 -2.220) 2.523 6.613 ( 8.752 0.000 -1.016) 8.811 6.674 ( 2.713 0.000 -6.337) 6.893 6.689 ( 2.003 0.000 -5.401) 5.760 6.796 ( -5.069 -0.000 14.386) 15.253 7.317 ( -4.731 -0.000 -0.711) 4.784 7.358 ( -8.652 -0.000 -2.144) 8.914 7.413 ( -4.579 -0.000 -0.399) 4.597 7.416 ( -0.972 -0.000 2.255) 2.455 7.741 ( 4.387 0.000 0.524) 4.418 7.817 ( 0.162 0.000 0.091) 0.186 7.955 ( -9.568 -0.000 -3.306) 10.123 8.139 ( -3.675 -0.000 -6.294) 7.289 8.174 ( -5.486 -0.000 2.917) 6.213 8.318 ( -2.125 -0.000 -2.443) 3.238 8.396 ( -3.321 -0.000 11.268) 11.747 8.420 ( 4.319 0.000 -8.159) 9.232 8.650 ( -9.837 -0.000 4.830) 10.959 8.938 ( -3.950 -0.000 0.989) 4.072 9.289 ( 1.535 0.000 -5.056) 5.284 9.291 ( 0.088 0.000 7.546) 7.547 9.634 ( 16.787 0.000 2.809) 17.021 9.771 ( 6.940 0.000 5.709) 8.986 9.932 ( 5.647 0.000 -5.306) 7.749 9.995 ( 2.807 0.000 4.730) 5.500 10.252 ( -2.972 -0.000 -1.854) 3.503 10.583 ( -2.148 -0.000 -4.771) 5.232 10.611 ( 9.849 0.000 -1.351) 9.941 10.669 ( -7.377 -0.000 -0.813) 7.421 10.753 ( -4.596 -0.000 2.332) 5.154 10.764 ( 2.404 0.000 -7.923) 8.280 11.393 ( -1.207 -0.000 4.108) 4.282 11.428 ( 1.250 0.000 0.291) 1.283 11.471 ( 9.161 0.000 0.142) 9.162 11.545 ( -3.047 -0.000 5.973) 6.705 11.657 ( 0.528 0.000 -0.255) 0.586 11.827 ( 4.519 0.000 -1.102) 4.652 12.125 ( -2.133 -0.000 -4.700) 5.161 12.130 ( -4.562 -0.000 4.116) 6.144 12.528 ( 7.826 0.000 -0.636) 7.852 12.583 ( 6.361 0.000 4.436) 7.755 12.853 ( -0.755 -0.000 -7.239) 7.278 13.080 ( -1.343 -0.000 3.917) 4.140 13.516 ( -12.243 -0.000 -1.861) 12.383 13.603 ( -1.513 -0.000 -11.437) 11.536 13.905 ( -7.048 -0.000 4.619) 8.427 14.216 ( -6.121 -0.000 3.281) 6.945 14.303 ( 6.834 0.000 -6.002) 9.095 14.358 ( 13.867 0.000 -10.162) 17.192 14.754 ( -11.625 -0.000 0.521) 11.637 14.959 ( -4.120 -0.000 3.119) 5.167 15.114 ( -1.845 -0.000 -0.327) 1.874 15.260 ( -1.924 -0.000 3.103) 3.651 18.498 ( 5.976 0.000 -1.686) 6.209 18.794 ( 7.730 0.000 8.985) 11.852 19.232 ( -8.877 -0.000 9.793) 13.217 19.278 ( 8.810 0.000 -11.793) 14.720 20.161 ( -10.269 -0.000 7.029) 12.444 20.494 ( 9.421 0.000 -5.144) 10.734 ======================= Grid point 207 (106/116) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -13.572 8.055 9.335) 18.336 1.979 ( -11.275 13.004 -7.830) 18.908 2.176 ( 10.915 -6.161 -20.709) 24.207 2.325 ( 5.533 -3.053 -18.235) 19.299 2.659 ( 1.936 5.207 -10.246) 11.655 2.949 ( 2.503 5.761 -1.371) 6.429 3.059 ( -2.672 2.328 -2.519) 4.348 3.170 ( 3.058 -13.099 -8.583) 15.956 3.294 ( -4.413 -0.197 3.343) 5.540 3.478 ( -0.858 15.865 9.580) 18.553 3.770 ( 7.756 2.305 -2.063) 8.350 4.005 ( 6.623 -11.482 -6.122) 14.601 4.062 ( -0.531 -13.221 -0.329) 13.236 4.150 ( 14.057 0.834 -11.821) 18.386 4.297 ( -2.786 -2.449 5.337) 6.500 4.468 ( -5.049 3.713 9.958) 11.766 4.517 ( -0.316 8.647 2.942) 9.139 4.691 ( -6.470 -8.775 9.729) 14.612 4.779 ( -5.339 -1.487 1.025) 5.636 4.903 ( -1.730 0.648 1.379) 2.305 5.095 ( -2.386 -2.258 10.534) 11.034 5.195 ( 3.597 -7.920 0.009) 8.698 5.401 ( -1.146 -1.158 -4.335) 4.631 5.422 ( 7.971 7.188 -2.259) 10.968 5.512 ( 13.737 1.058 -0.408) 13.784 5.651 ( 3.754 1.390 1.839) 4.405 5.889 ( 3.629 -5.873 -5.644) 8.917 5.941 ( 0.381 2.572 -2.457) 3.577 6.033 ( -4.612 -0.547 6.594) 8.065 6.137 ( -1.288 -3.544 3.111) 4.888 6.299 ( -3.339 7.684 -0.969) 8.434 6.426 ( 0.164 1.748 -2.569) 3.111 6.631 ( -2.962 -2.757 -3.262) 5.198 6.679 ( 3.509 -3.156 -1.887) 5.083 6.712 ( 0.006 1.132 1.609) 1.967 6.878 ( -0.598 -0.929 8.353) 8.426 7.108 ( 1.346 8.088 -7.498) 11.110 7.272 ( -3.432 3.705 -2.642) 5.700 7.404 ( -5.915 -2.768 2.477) 6.985 7.471 ( -3.659 -6.903 1.934) 8.048 7.664 ( -4.823 10.354 -1.863) 11.573 7.781 ( 4.141 1.544 -1.107) 4.556 7.875 ( -3.336 1.366 2.459) 4.363 7.986 ( -7.387 1.355 -5.248) 9.162 8.131 ( -8.101 -1.720 3.505) 8.992 8.265 ( 0.675 1.614 -3.767) 4.154 8.360 ( -3.600 1.511 -5.663) 6.878 8.465 ( -4.449 -0.575 8.966) 10.026 8.633 ( -1.364 -0.673 4.472) 4.724 8.884 ( -4.661 -0.998 1.946) 5.149 9.260 ( 4.337 1.061 -7.385) 8.629 9.390 ( 1.711 -2.511 7.507) 8.099 9.772 ( 4.447 5.988 5.609) 9.332 9.927 ( -0.249 -3.624 -4.352) 5.669 9.978 ( 7.263 -6.193 4.092) 10.385 10.082 ( 3.046 -2.551 0.110) 3.975 10.238 ( 2.623 -0.211 -0.928) 2.790 10.506 ( -2.986 1.271 -2.971) 4.400 10.565 ( 0.504 3.128 -6.879) 7.573 10.636 ( -4.627 2.120 1.587) 5.331 10.704 ( 7.424 2.446 -1.496) 7.958 10.832 ( -0.704 -7.284 -1.860) 7.550 11.371 ( -1.524 1.200 -2.308) 3.015 11.475 ( 0.846 -0.900 3.805) 4.001 11.546 ( 1.606 3.422 7.579) 8.469 11.615 ( 9.611 -0.737 0.380) 9.647 11.715 ( 1.337 -3.523 2.555) 4.553 11.873 ( 2.615 -1.737 -1.162) 3.347 12.087 ( -2.830 -1.302 -0.649) 3.182 12.126 ( -1.853 -1.191 1.628) 2.739 12.588 ( 7.682 1.726 0.624) 7.898 12.694 ( 3.069 -1.114 0.152) 3.268 12.796 ( -0.661 -1.240 -4.966) 5.161 13.084 ( -3.118 -0.375 0.957) 3.283 13.346 ( -1.644 4.021 -8.018) 9.119 13.517 ( -2.577 -4.597 -7.344) 9.040 13.867 ( -7.824 -1.335 5.499) 9.656 14.156 ( -4.607 1.794 1.896) 5.295 14.274 ( 0.745 3.254 -4.576) 5.665 14.445 ( 12.089 0.865 -8.364) 14.726 14.574 ( -9.311 3.078 -0.502) 9.819 14.904 ( -3.684 3.702 1.643) 5.475 15.100 ( -2.066 -0.366 1.157) 2.396 15.270 ( -4.115 -2.534 3.245) 5.821 18.537 ( 7.865 4.260 -1.940) 9.152 18.962 ( 0.814 -1.519 8.386) 8.561 19.176 ( 2.518 3.366 0.686) 4.260 19.417 ( 3.258 -12.507 -0.259) 12.927 20.098 ( -9.813 0.052 7.040) 12.077 20.506 ( 5.572 3.950 -6.760) 9.610 ======================= Grid point 208 (107/116) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -6.508 11.246 3.430) 13.439 1.683 ( -5.280 3.287 0.171) 6.222 2.203 ( 5.776 -4.396 -12.195) 14.192 2.380 ( 9.388 -9.070 -13.652) 18.889 2.543 ( 2.802 5.137 -1.419) 6.021 2.848 ( -2.063 2.649 -1.786) 3.803 2.919 ( -5.014 10.682 4.270) 12.549 3.128 ( -6.778 -2.147 -4.485) 8.406 3.394 ( 3.499 4.040 2.684) 5.980 3.457 ( 3.953 -4.977 -0.702) 6.395 3.848 ( 6.253 -0.248 1.627) 6.466 4.088 ( -2.373 -6.113 -6.860) 9.490 4.132 ( 1.284 -5.004 -7.220) 8.878 4.246 ( 10.295 3.256 -2.472) 11.077 4.334 ( -7.934 -1.322 8.825) 11.941 4.431 ( 4.844 8.013 2.592) 9.716 4.567 ( 12.722 -1.788 -2.268) 13.046 4.684 ( -9.384 -3.522 1.244) 10.101 4.826 ( -2.406 -6.023 0.310) 6.493 4.955 ( -5.187 -6.506 7.058) 10.912 5.147 ( -5.368 -0.307 -8.423) 9.993 5.254 ( -1.153 -3.568 9.706) 10.405 5.354 ( 5.822 5.686 2.647) 8.558 5.427 ( 0.076 -4.152 -2.210) 4.704 5.625 ( 3.480 5.214 2.412) 6.717 5.714 ( 5.574 -2.069 1.060) 6.040 5.907 ( 2.981 1.758 -0.759) 3.543 5.913 ( 2.094 0.465 -3.169) 3.826 5.993 ( 0.420 9.642 3.387) 10.228 6.117 ( -5.331 6.059 3.700) 8.878 6.309 ( 3.181 -0.931 1.406) 3.601 6.370 ( -0.988 -6.061 -2.117) 6.496 6.596 ( -5.196 1.652 1.432) 5.638 6.727 ( 1.981 -7.934 0.900) 8.227 6.783 ( 4.043 -4.507 -4.474) 7.528 6.932 ( 3.857 2.744 0.222) 4.738 7.017 ( 1.409 4.265 -4.061) 6.055 7.142 ( -1.388 5.214 -1.956) 5.739 7.396 ( -4.100 -2.077 2.159) 5.078 7.448 ( -2.156 5.922 -0.584) 6.329 7.536 ( -4.054 -3.984 -1.636) 5.915 7.777 ( -6.151 -0.156 1.932) 6.449 7.829 ( 0.980 5.279 3.653) 6.494 7.893 ( -0.727 -2.892 -4.184) 5.138 8.084 ( -7.076 -1.356 1.072) 7.284 8.216 ( -2.460 0.267 1.691) 2.997 8.268 ( 0.490 0.254 -7.644) 7.664 8.438 ( -7.927 0.930 4.747) 9.286 8.661 ( -1.149 1.282 6.582) 6.803 8.919 ( 2.897 -2.977 -0.973) 4.266 9.250 ( 5.441 0.747 -4.837) 7.318 9.508 ( 0.514 -3.370 3.470) 4.864 9.705 ( -4.294 5.577 1.280) 7.154 9.923 ( -4.539 -4.316 -2.203) 6.640 10.103 ( -2.490 -2.561 -3.130) 4.749 10.170 ( 4.660 -1.634 4.910) 6.964 10.268 ( 3.654 2.458 -0.630) 4.449 10.445 ( -0.919 1.268 -2.130) 2.643 10.514 ( 5.921 -0.976 -2.900) 6.665 10.581 ( -1.959 2.577 0.207) 3.243 10.725 ( 1.486 -0.160 -0.429) 1.555 10.905 ( -0.026 -4.477 -0.216) 4.482 11.320 ( 0.229 1.101 -2.604) 2.836 11.523 ( 1.897 1.519 4.628) 5.227 11.614 ( 2.814 0.892 5.198) 5.978 11.676 ( 4.731 4.071 -1.496) 6.418 11.805 ( 2.485 -1.086 3.349) 4.310 11.930 ( 3.168 -3.030 -2.146) 4.881 12.045 ( -4.347 2.310 2.567) 5.552 12.161 ( -0.368 -4.460 -0.739) 4.536 12.659 ( 2.218 0.429 -1.385) 2.650 12.707 ( 1.487 1.386 0.756) 2.169 12.805 ( 1.156 -4.232 0.038) 4.387 13.002 ( -3.459 1.900 -3.991) 5.612 13.269 ( 2.949 1.214 -3.296) 4.586 13.551 ( 2.306 -8.295 -7.328) 11.306 13.855 ( -6.906 -1.947 6.523) 9.697 14.088 ( -2.785 2.151 -0.432) 3.546 14.167 ( -2.298 5.800 0.998) 6.318 14.414 ( -5.127 0.261 0.189) 5.138 14.548 ( 8.377 -1.664 -7.957) 11.672 14.803 ( -2.899 5.478 0.671) 6.234 15.090 ( -0.920 0.432 1.077) 1.481 15.288 ( -4.985 -3.798 2.432) 6.722 18.538 ( 7.318 6.011 -1.323) 9.562 18.985 ( -6.750 -0.633 5.419) 8.679 19.215 ( 9.714 3.208 -1.970) 10.418 19.664 ( 2.538 -12.334 3.779) 13.147 20.048 ( -10.394 -1.813 6.448) 12.365 20.398 ( 1.854 6.375 -9.511) 11.599 ======================= Grid point 209 (108/116) ======================= q-point: ( 0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 5.624 0.935 -4.422) 7.215 1.674 ( -4.983 -2.410 7.390) 9.233 2.267 ( 0.029 -7.882 2.448) 8.253 2.467 ( 3.340 -0.630 -3.586) 4.940 2.630 ( 3.979 -1.310 3.799) 5.655 2.694 ( -4.044 2.322 0.841) 4.738 2.893 ( 2.905 -1.874 0.284) 3.468 3.099 ( -3.578 -5.389 2.343) 6.879 3.315 ( 4.849 11.050 0.803) 12.094 3.599 ( 3.839 -10.057 -3.998) 11.483 3.876 ( 0.901 4.720 -3.752) 6.096 4.074 ( -0.592 -0.864 -5.784) 5.878 4.101 ( -0.438 3.901 -6.788) 7.841 4.167 ( -3.710 -0.029 3.197) 4.898 4.359 ( -1.171 1.819 -0.560) 2.235 4.452 ( -0.303 1.429 5.310) 5.507 4.660 ( -4.962 -6.940 0.292) 8.536 4.701 ( 6.099 2.352 5.886) 8.797 4.844 ( -1.817 -1.867 -2.500) 3.611 5.031 ( 0.462 -2.438 -9.167) 9.497 5.068 ( 1.544 -2.899 1.785) 3.738 5.252 ( -2.210 10.450 2.512) 10.972 5.359 ( 1.465 4.109 -0.595) 4.402 5.502 ( -2.597 -0.981 0.614) 2.843 5.588 ( 1.431 1.766 0.985) 2.477 5.768 ( 3.825 -1.758 -0.119) 4.211 5.871 ( 4.583 3.310 -2.148) 6.048 5.889 ( -4.768 3.161 7.212) 9.205 6.004 ( 3.755 -2.583 1.472) 4.790 6.054 ( 3.146 4.083 2.902) 5.915 6.334 ( 4.702 0.281 -1.489) 4.940 6.470 ( 0.931 -1.947 4.936) 5.388 6.633 ( -1.620 -10.389 1.757) 10.660 6.707 ( -2.700 8.750 -7.413) 11.782 6.866 ( 2.271 -4.832 -0.600) 5.373 6.879 ( -6.021 5.973 -2.131) 8.745 6.930 ( 5.139 1.406 -2.972) 6.101 7.161 ( 1.640 -3.118 7.648) 8.421 7.354 ( -0.754 2.686 -1.873) 3.361 7.397 ( -7.782 -4.395 2.802) 9.366 7.553 ( 1.285 -3.843 -5.148) 6.551 7.714 ( -6.075 -1.889 2.056) 6.686 7.819 ( 2.733 2.614 0.786) 3.863 7.934 ( 3.144 -2.975 -3.656) 5.666 8.048 ( -3.721 -2.494 -0.308) 4.490 8.191 ( 2.057 1.051 -5.291) 5.773 8.258 ( -1.336 -4.684 2.528) 5.488 8.403 ( -5.276 -3.780 1.843) 6.747 8.703 ( -0.915 0.008 8.990) 9.037 8.969 ( 5.437 1.752 -3.156) 6.526 9.282 ( 3.831 -1.488 -2.811) 4.979 9.525 ( -3.731 -0.300 -1.096) 3.900 9.541 ( -5.177 7.962 -2.023) 9.710 9.898 ( -7.094 -4.557 -4.265) 9.448 10.078 ( 0.478 0.142 -1.187) 1.287 10.223 ( -2.353 4.097 4.289) 6.381 10.252 ( 1.949 0.632 1.520) 2.551 10.415 ( 1.370 -0.103 -3.193) 3.476 10.519 ( -1.243 1.436 1.692) 2.543 10.680 ( 9.975 -3.523 1.736) 10.720 10.711 ( -2.451 -0.560 -2.289) 3.400 10.973 ( 0.350 -2.631 2.689) 3.778 11.296 ( 0.377 0.760 -0.400) 0.937 11.526 ( -0.354 2.101 -5.097) 5.524 11.619 ( 4.691 8.149 5.467) 10.876 11.668 ( -0.054 1.952 2.438) 3.124 11.839 ( 2.799 3.178 -0.183) 4.239 11.954 ( -3.133 1.656 0.060) 3.545 11.999 ( 0.214 -1.132 0.432) 1.231 12.213 ( 0.264 -4.030 -2.088) 4.547 12.594 ( -3.948 5.117 -1.280) 6.588 12.674 ( -1.691 0.587 -0.857) 1.985 12.901 ( 2.968 -1.124 2.542) 4.067 13.026 ( 4.868 -5.559 0.030) 7.389 13.277 ( 0.046 -0.281 3.507) 3.519 13.646 ( 2.324 -9.576 -8.929) 13.298 13.859 ( -1.669 1.001 4.997) 5.362 14.052 ( 0.980 -0.913 -2.730) 3.040 14.108 ( -1.269 1.281 4.136) 4.512 14.377 ( -6.099 -3.054 1.618) 7.010 14.604 ( 5.933 -1.496 -5.000) 7.902 14.707 ( -2.942 3.289 1.494) 4.659 15.096 ( 2.369 -0.532 -0.944) 2.605 15.294 ( -5.258 -3.244 1.347) 6.323 18.530 ( 6.458 5.593 -0.037) 8.543 18.931 ( -8.560 0.445 1.934) 8.787 19.271 ( 10.799 4.300 -0.528) 11.636 19.829 ( 0.570 1.849 3.240) 3.774 20.011 ( -8.339 -7.213 0.296) 11.030 20.253 ( -1.374 1.337 -6.451) 6.730 ======================= Grid point 210 (109/116) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 12.891 -11.616 -4.818) 18.010 1.762 ( -7.629 -11.975 6.880) 15.778 2.391 ( -5.473 3.610 11.451) 13.195 2.476 ( -5.588 -0.503 4.256) 7.042 2.551 ( 2.097 -4.704 -0.016) 5.151 2.782 ( -3.849 -8.228 -5.778) 10.765 3.033 ( 10.216 -3.595 2.136) 11.039 3.190 ( 3.702 -0.351 6.264) 7.284 3.354 ( 6.560 -1.419 3.978) 7.802 3.616 ( -5.303 10.879 -4.982) 13.088 3.800 ( 7.588 -10.910 -8.467) 15.758 3.999 ( -7.548 -3.020 -2.406) 8.479 4.015 ( 4.531 6.003 -4.494) 8.762 4.167 ( -5.691 1.250 3.971) 7.051 4.322 ( -1.522 0.954 5.298) 5.595 4.409 ( -0.968 1.745 -3.768) 4.264 4.743 ( 0.264 -1.657 -0.533) 1.761 4.775 ( -0.188 -3.396 5.613) 6.563 4.837 ( 9.115 7.174 0.706) 11.621 4.947 ( -4.535 -0.547 -2.631) 5.271 5.013 ( -5.644 9.029 -2.156) 10.864 5.129 ( -8.110 5.239 -0.710) 9.681 5.189 ( 8.458 8.847 -9.270) 15.354 5.339 ( -14.061 8.346 8.934) 18.633 5.702 ( 11.562 -1.340 -7.676) 13.943 5.826 ( 3.390 6.102 0.433) 6.994 5.881 ( 3.255 2.169 -1.333) 4.132 5.893 ( -5.438 -5.163 6.088) 9.659 6.095 ( 3.878 -2.236 1.354) 4.677 6.114 ( 2.458 -4.066 1.320) 4.931 6.376 ( 7.257 0.685 -1.978) 7.553 6.501 ( 2.581 7.028 1.116) 7.570 6.536 ( -7.242 -1.883 2.446) 7.873 6.682 ( -7.234 5.841 -2.306) 9.579 6.813 ( 4.982 -3.597 -0.191) 6.148 6.901 ( -2.811 2.426 1.638) 4.058 7.007 ( 7.368 -9.283 3.758) 12.433 7.277 ( -1.180 -4.385 0.277) 4.549 7.326 ( -0.206 -3.297 -1.532) 3.641 7.414 ( -8.260 -7.804 1.041) 11.411 7.579 ( 3.050 -1.149 0.633) 3.320 7.724 ( -2.831 -2.864 0.150) 4.029 7.846 ( 8.516 -2.748 -8.839) 12.578 7.933 ( -8.265 -3.576 4.111) 9.900 8.071 ( 1.694 -1.423 2.305) 3.195 8.204 ( 3.374 -1.710 -6.157) 7.226 8.383 ( 2.373 -8.378 1.866) 8.906 8.444 ( -1.943 -7.466 0.022) 7.715 8.791 ( 2.186 1.872 8.936) 9.388 8.937 ( 1.269 4.556 -2.231) 5.229 9.287 ( -2.590 0.262 -4.046) 4.811 9.332 ( -4.840 4.782 -3.370) 7.593 9.507 ( 5.204 1.603 0.408) 5.461 9.784 ( -11.073 -0.671 -3.929) 11.769 10.058 ( 5.544 5.253 -4.989) 9.123 10.125 ( -6.264 6.744 4.959) 10.455 10.311 ( 1.289 -0.741 5.429) 5.629 10.418 ( -0.753 -2.738 -2.944) 4.090 10.548 ( 1.785 -2.293 2.260) 3.681 10.647 ( -2.505 0.025 -2.276) 3.385 10.858 ( 9.117 -0.663 1.525) 9.267 11.001 ( -2.278 1.263 2.568) 3.658 11.312 ( -0.603 -1.716 2.455) 3.055 11.402 ( -0.862 3.435 -6.889) 7.746 11.603 ( 0.905 6.526 4.713) 8.100 11.621 ( -0.213 5.643 0.252) 5.652 11.798 ( 2.534 4.461 -1.955) 5.490 11.863 ( -4.713 3.522 0.531) 5.907 12.058 ( 4.905 -2.852 -1.110) 5.781 12.228 ( -4.895 -4.117 -2.778) 6.974 12.476 ( 1.268 7.025 3.072) 7.772 12.625 ( -3.675 1.301 -2.759) 4.776 12.968 ( 1.285 1.096 6.368) 6.588 13.083 ( 1.231 0.378 -5.462) 5.612 13.434 ( 5.661 -8.284 8.627) 13.232 13.694 ( -1.170 -6.019 -7.141) 9.413 13.897 ( 2.102 -0.745 3.435) 4.095 14.028 ( -3.907 -0.642 -0.217) 3.966 14.212 ( 7.220 -5.329 -0.967) 9.026 14.359 ( -6.718 -1.823 2.982) 7.573 14.641 ( 4.527 -1.124 -3.386) 5.764 14.691 ( -4.294 -4.538 2.964) 6.915 15.152 ( 5.646 -1.869 -1.864) 6.233 15.275 ( -5.257 -1.906 0.528) 5.617 18.541 ( 6.098 4.630 2.115) 7.944 18.786 ( -8.904 3.555 -3.334) 10.150 19.344 ( 9.562 5.428 3.789) 11.630 19.647 ( -7.530 10.605 -3.213) 13.398 20.102 ( 5.483 -6.544 -3.956) 9.410 20.228 ( -7.333 -5.940 2.050) 9.657 ======================= Grid point 211 (110/116) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -5.220 -16.410 -0.249) 17.222 1.909 ( 5.220 -16.410 0.249) 17.222 2.398 ( 2.833 -1.232 -10.172) 10.631 2.398 ( -2.833 -1.232 10.172) 10.631 2.753 ( -1.021 -3.096 -17.695) 17.993 2.753 ( 1.021 -3.096 17.695) 17.993 3.201 ( -1.682 -1.854 -5.060) 5.645 3.201 ( 1.682 -1.854 5.060) 5.645 3.446 ( -0.279 0.397 -2.600) 2.645 3.446 ( 0.279 0.397 2.600) 2.645 3.949 ( 4.535 8.636 -6.120) 11.515 3.949 ( -4.535 8.636 6.120) 11.515 4.039 ( 14.484 -9.238 -6.228) 18.273 4.039 ( -14.484 -9.238 6.228) 18.273 4.326 ( 4.396 6.734 -12.062) 14.497 4.326 ( -4.396 6.734 12.062) 14.497 4.765 ( 1.699 4.141 -7.436) 8.679 4.765 ( -1.699 4.141 7.436) 8.679 4.840 ( 5.950 1.164 -5.309) 8.058 4.840 ( -5.950 1.164 5.309) 8.058 4.948 ( 6.595 2.260 -9.380) 11.687 4.948 ( -6.595 2.260 9.380) 11.687 5.160 ( 7.050 2.552 -6.512) 9.931 5.160 ( -7.050 2.552 6.512) 9.931 5.670 ( -4.227 11.039 -1.433) 11.907 5.670 ( 4.227 11.039 1.433) 11.907 5.921 ( 5.649 -0.911 -6.012) 8.299 5.921 ( -5.649 -0.911 6.012) 8.299 6.191 ( 3.776 -4.297 -4.310) 7.162 6.191 ( -3.776 -4.297 4.310) 7.162 6.482 ( 2.215 -2.177 -4.104) 5.147 6.482 ( -2.215 -2.177 4.104) 5.147 6.517 ( -2.300 1.563 -6.764) 7.313 6.517 ( 2.300 1.563 6.764) 7.313 6.825 ( 6.740 4.517 -5.954) 10.063 6.825 ( -6.740 4.517 5.954) 10.063 7.326 ( -0.704 -9.781 -8.300) 12.847 7.326 ( 0.704 -9.781 8.300) 12.847 7.396 ( -7.200 -3.807 -0.137) 8.145 7.396 ( 7.200 -3.807 0.137) 8.145 7.677 ( -3.114 -1.187 -3.578) 4.890 7.677 ( 3.114 -1.187 3.578) 4.890 7.980 ( 3.785 -9.234 -7.409) 12.429 7.980 ( -3.785 -9.234 7.409) 12.429 8.165 ( -3.733 -2.010 -6.163) 7.481 8.165 ( 3.733 -2.010 6.163) 7.481 8.536 ( 4.164 -4.694 -7.408) 9.708 8.536 ( -4.164 -4.694 7.408) 9.708 8.825 ( 2.224 4.180 -5.779) 7.471 8.825 ( -2.224 4.180 5.779) 7.471 9.243 ( -1.621 -0.155 -2.375) 2.879 9.243 ( 1.621 -0.155 2.375) 2.879 9.596 ( -3.306 3.298 -7.067) 8.471 9.596 ( 3.306 3.298 7.067) 8.471 9.987 ( 7.092 6.731 -6.925) 11.981 9.987 ( -7.092 6.731 6.925) 11.981 10.392 ( -0.460 -1.070 -6.297) 6.404 10.392 ( 0.460 -1.070 6.297) 6.404 10.633 ( -0.635 -3.010 -1.250) 3.321 10.633 ( 0.635 -3.010 1.250) 3.321 10.928 ( 0.584 3.728 -0.785) 3.855 10.928 ( -0.584 3.728 0.785) 3.855 11.343 ( 3.116 -0.821 -4.409) 5.461 11.343 ( -3.116 -0.821 4.409) 5.461 11.536 ( 1.430 5.248 -2.071) 5.820 11.536 ( -1.430 5.248 2.071) 5.820 11.764 ( 2.741 3.248 -3.929) 5.788 11.764 ( -2.741 3.248 3.929) 5.788 12.178 ( -7.957 -3.148 0.189) 8.559 12.178 ( 7.957 -3.148 -0.189) 8.559 12.481 ( -6.226 5.076 -4.416) 9.167 12.481 ( 6.226 5.076 4.416) 9.167 13.016 ( 0.265 1.274 -6.975) 7.096 13.016 ( -0.265 1.274 6.975) 7.096 13.686 ( -0.909 -5.286 -8.091) 9.707 13.686 ( 0.909 -5.286 8.091) 9.707 13.986 ( -5.750 -2.770 -1.086) 6.474 13.986 ( 5.750 -2.770 1.086) 6.474 14.321 ( 5.197 -0.099 -5.359) 7.465 14.321 ( -5.197 -0.099 5.359) 7.465 14.749 ( 4.374 -8.151 -2.279) 9.527 14.749 ( -4.374 -8.151 2.279) 9.527 15.232 ( -3.743 -0.317 -0.419) 3.780 15.232 ( 3.743 -0.317 0.419) 3.780 18.584 ( -5.592 4.343 -5.473) 8.949 18.584 ( 5.592 4.343 5.473) 8.949 19.390 ( 1.937 7.139 -10.407) 12.768 19.390 ( -1.937 7.139 10.407) 12.768 20.239 ( 8.721 -4.926 -5.900) 11.625 20.239 ( -8.721 -4.926 5.900) 11.625 ======================= Grid point 215 (111/116) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -15.514 -0.000 14.074) 20.947 1.858 ( -11.662 -0.000 -7.965) 14.123 2.098 ( 12.507 0.000 -18.296) 22.163 2.228 ( 8.452 0.000 -11.432) 14.218 2.689 ( 5.780 0.000 -10.446) 11.939 2.865 ( -5.691 -0.000 -10.223) 11.701 3.041 ( 2.859 0.000 -9.852) 10.258 3.084 ( 4.944 0.000 -1.018) 5.048 3.254 ( -3.038 -0.000 2.176) 3.737 3.693 ( -8.415 -0.000 7.631) 11.360 3.790 ( -3.682 -0.000 1.244) 3.887 3.992 ( 16.785 0.000 -8.170) 18.667 4.064 ( 10.095 0.000 5.674) 11.580 4.210 ( 14.708 0.000 -13.738) 20.126 4.334 ( 7.191 0.000 1.985) 7.460 4.449 ( -11.682 -0.000 13.809) 18.087 4.637 ( -1.493 -0.000 -4.085) 4.349 4.684 ( -2.060 -0.000 8.241) 8.494 4.688 ( 2.588 0.000 6.438) 6.939 5.014 ( 0.103 0.000 -2.727) 2.729 5.029 ( -0.078 -0.000 -1.272) 1.274 5.113 ( -12.085 -0.000 16.614) 20.545 5.294 ( -7.407 -0.000 -6.154) 9.630 5.498 ( 3.237 0.000 -2.347) 3.998 5.702 ( 5.289 0.000 -1.286) 5.443 5.804 ( 3.708 0.000 2.129) 4.275 5.842 ( 15.784 0.000 -6.237) 16.972 5.883 ( -1.065 -0.000 -4.071) 4.208 6.095 ( -8.353 -0.000 7.015) 10.908 6.109 ( 9.653 0.000 3.947) 10.429 6.388 ( -0.243 -0.000 -1.162) 1.187 6.388 ( -0.882 -0.000 2.535) 2.685 6.537 ( -3.226 -0.000 -5.932) 6.753 6.687 ( 5.557 0.000 -2.818) 6.231 6.717 ( -1.819 -0.000 2.832) 3.366 6.957 ( -1.098 -0.000 9.886) 9.947 7.142 ( -0.618 -0.000 -7.654) 7.679 7.215 ( 0.270 0.000 -4.071) 4.079 7.300 ( -6.895 -0.000 4.389) 8.173 7.418 ( -2.797 -0.000 2.565) 3.795 7.746 ( -8.760 -0.000 -2.455) 9.098 7.749 ( -1.945 -0.000 -4.129) 4.564 7.787 ( -0.468 -0.000 -1.761) 1.822 7.924 ( -1.123 -0.000 2.383) 2.634 8.037 ( -9.685 -0.000 3.966) 10.466 8.237 ( 1.061 0.000 -5.393) 5.496 8.257 ( -5.071 -0.000 -6.885) 8.551 8.471 ( -9.867 -0.000 9.236) 13.515 8.690 ( 6.452 0.000 0.132) 6.453 8.820 ( -8.530 -0.000 7.282) 11.216 9.294 ( 10.384 0.000 -8.436) 13.379 9.453 ( -0.220 -0.000 8.835) 8.838 9.812 ( -4.106 -0.000 -7.664) 8.694 9.832 ( -7.353 -0.000 3.183) 8.013 10.044 ( -2.241 -0.000 -0.551) 2.308 10.107 ( 12.813 0.000 3.858) 13.381 10.310 ( 5.101 0.000 2.205) 5.557 10.451 ( -0.648 -0.000 -4.268) 4.317 10.566 ( 3.791 0.000 -3.806) 5.372 10.656 ( -5.848 -0.000 3.061) 6.600 10.675 ( -3.913 -0.000 -3.015) 4.940 10.815 ( 8.256 0.000 -4.924) 9.613 11.362 ( -0.421 -0.000 0.566) 0.706 11.498 ( 1.933 0.000 1.668) 2.554 11.699 ( 2.369 0.000 10.703) 10.962 11.727 ( 5.603 0.000 -0.438) 5.620 11.771 ( 11.140 0.000 2.748) 11.473 11.871 ( 0.923 0.000 -0.271) 0.962 12.022 ( -1.510 -0.000 -0.647) 1.643 12.139 ( -1.470 -0.000 2.322) 2.748 12.657 ( 3.757 0.000 -1.015) 3.892 12.727 ( -1.979 -0.000 -0.217) 1.991 12.742 ( 4.923 0.000 -4.788) 6.868 13.017 ( -6.158 -0.000 -3.240) 6.959 13.346 ( 4.989 0.000 -6.769) 8.409 13.376 ( -1.320 -0.000 -5.949) 6.094 13.803 ( -8.412 -0.000 6.561) 10.668 14.132 ( -5.331 -0.000 3.880) 6.594 14.245 ( -0.513 -0.000 -6.517) 6.537 14.460 ( -11.927 -0.000 0.503) 11.938 14.535 ( 14.676 0.000 -11.546) 18.673 14.885 ( -7.429 -0.000 5.088) 9.004 15.091 ( 0.945 0.000 -1.221) 1.544 15.224 ( -5.856 -0.000 4.381) 7.313 18.662 ( 8.929 0.000 -2.620) 9.306 19.036 ( -1.762 -0.000 6.809) 7.033 19.278 ( -3.958 -0.000 15.110) 15.619 19.341 ( 13.460 0.000 -11.242) 17.538 20.034 ( -10.622 -0.000 7.094) 12.773 20.503 ( 0.988 0.000 -9.723) 9.773 ======================= Grid point 216 (112/116) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -8.377 6.679 4.966) 11.809 1.661 ( -5.380 1.824 0.984) 5.765 2.125 ( 6.717 -3.053 -9.187) 11.783 2.309 ( 11.931 -4.854 -10.942) 16.901 2.628 ( 2.021 2.943 2.040) 4.112 2.773 ( -5.583 -3.469 -5.578) 8.621 2.952 ( 0.719 1.272 -11.290) 11.384 3.090 ( 3.678 6.688 1.844) 7.852 3.285 ( -0.687 -2.591 -2.083) 3.395 3.609 ( -1.725 -1.707 3.673) 4.402 3.842 ( -6.965 -12.033 -5.207) 14.846 4.010 ( 1.937 12.463 3.820) 13.179 4.147 ( 12.542 3.998 -2.372) 13.376 4.296 ( -5.766 -2.501 8.143) 10.286 4.409 ( 6.192 4.218 -4.835) 8.917 4.545 ( 10.768 1.791 -12.660) 16.716 4.614 ( 2.037 -0.704 8.478) 8.748 4.698 ( 3.173 -1.657 6.801) 7.686 4.809 ( 3.873 -1.050 3.756) 5.496 4.944 ( 1.415 3.854 4.775) 6.297 4.999 ( -6.178 1.217 -8.376) 10.479 5.184 ( -7.407 -6.935 6.497) 12.049 5.245 ( -2.314 -12.493 4.114) 13.354 5.496 ( -1.464 -0.288 -2.820) 3.191 5.678 ( -0.178 0.996 -3.312) 3.463 5.769 ( 0.721 2.831 -2.502) 3.847 5.916 ( 2.509 0.191 4.788) 5.409 5.985 ( 3.722 0.196 -4.709) 6.006 6.079 ( -3.953 -2.556 2.679) 5.417 6.200 ( 2.815 8.513 4.270) 9.931 6.327 ( 5.902 -0.414 3.144) 6.700 6.386 ( -2.916 4.338 -1.020) 5.326 6.558 ( 3.656 -7.491 -1.601) 8.488 6.704 ( 2.515 4.229 0.734) 4.975 6.739 ( 2.014 -2.638 -2.442) 4.121 7.018 ( 2.026 1.009 3.771) 4.398 7.058 ( 1.949 2.643 -3.084) 4.505 7.170 ( -2.169 3.164 -2.994) 4.866 7.269 ( -10.028 -3.321 4.832) 11.616 7.436 ( 0.829 -3.163 -3.774) 4.993 7.531 ( -4.561 7.037 -1.614) 8.539 7.664 ( -8.926 -0.368 2.068) 9.170 7.846 ( 4.553 -3.084 -4.825) 7.316 7.924 ( -3.439 2.950 3.232) 5.565 7.988 ( -3.321 -2.260 4.525) 6.051 8.163 ( -1.667 -1.439 -4.567) 5.071 8.215 ( 1.485 -0.840 -5.367) 5.632 8.375 ( -13.062 1.524 5.707) 14.335 8.723 ( -0.210 2.076 3.791) 4.327 8.859 ( -0.345 -6.111 0.141) 6.123 9.346 ( 11.518 3.126 -5.813) 13.275 9.519 ( -1.134 0.191 5.983) 6.092 9.690 ( -5.442 1.268 -1.036) 5.683 9.775 ( -7.147 -2.789 -2.299) 8.009 10.030 ( -1.091 -1.543 0.731) 2.026 10.243 ( 2.283 -0.425 2.734) 3.587 10.369 ( 3.750 3.038 0.846) 4.900 10.418 ( -1.046 2.149 -1.872) 3.035 10.530 ( 2.692 -0.875 -3.042) 4.156 10.607 ( 3.678 -0.521 -2.429) 4.438 10.692 ( -5.826 -3.032 1.705) 6.785 10.838 ( 2.731 -2.630 -5.022) 6.293 11.375 ( 3.318 2.953 2.112) 4.918 11.548 ( 1.250 -1.340 0.865) 2.026 11.728 ( 2.960 3.835 0.995) 4.946 11.823 ( 2.161 2.297 3.709) 4.869 11.868 ( 6.702 -0.029 0.866) 6.758 11.935 ( 2.134 -1.094 4.651) 5.232 12.037 ( 0.787 1.981 0.824) 2.285 12.140 ( 1.249 -0.971 1.280) 2.035 12.637 ( -2.060 1.159 -3.880) 4.544 12.732 ( -1.173 -2.801 -1.496) 3.385 12.771 ( 2.133 -0.419 0.480) 2.225 12.921 ( -2.704 -3.348 -3.564) 5.588 13.304 ( 2.773 1.953 -2.695) 4.333 13.406 ( 1.785 -5.323 -6.939) 8.926 13.808 ( -3.669 -2.501 7.690) 8.880 14.094 ( -3.017 2.056 2.494) 4.421 14.169 ( -2.241 0.433 -4.499) 5.045 14.317 ( -9.882 0.272 0.344) 9.892 14.604 ( 12.758 0.690 -9.915) 16.173 14.821 ( -6.772 2.478 4.063) 8.277 15.096 ( 1.493 0.048 -1.158) 1.890 15.201 ( -6.316 -1.741 4.102) 7.730 18.711 ( 7.983 4.473 -1.541) 9.280 18.989 ( -5.159 4.513 4.030) 7.952 19.360 ( 9.252 1.901 0.003) 9.445 19.546 ( 3.780 -12.989 4.584) 14.283 19.966 ( -11.006 0.521 7.802) 13.501 20.365 ( -2.024 3.192 -13.281) 13.808 ======================= Grid point 217 (113/116) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 7.013 5.019 -5.152) 10.046 1.627 ( -10.617 -0.323 8.662) 13.706 2.205 ( 4.055 -6.435 1.972) 7.857 2.410 ( 6.049 -7.787 -13.264) 16.528 2.663 ( -2.645 5.270 4.170) 7.222 2.765 ( -2.839 5.051 9.109) 10.796 2.829 ( 3.999 -4.054 -8.120) 9.918 3.046 ( -2.331 -2.604 -0.909) 3.611 3.382 ( 7.631 -7.906 2.077) 11.182 3.683 ( 1.375 2.975 4.692) 5.724 3.799 ( -8.099 -4.594 -5.252) 10.690 3.897 ( -1.379 4.167 -8.591) 9.648 4.176 ( 5.985 4.588 -0.198) 7.544 4.243 ( -0.092 6.689 0.629) 6.719 4.374 ( -2.712 1.542 1.585) 3.500 4.432 ( -5.379 4.052 -1.053) 6.816 4.709 ( 7.426 2.930 4.837) 9.334 4.769 ( -1.670 3.902 1.021) 4.365 4.883 ( 2.234 -1.358 -0.140) 2.618 4.980 ( -3.170 -1.465 2.856) 4.511 5.017 ( 15.633 -7.192 -4.482) 17.782 5.314 ( -8.390 -7.827 6.497) 13.186 5.385 ( 2.061 6.597 -8.094) 10.643 5.422 ( -1.320 -7.251 1.122) 7.455 5.650 ( -1.884 1.678 5.470) 6.024 5.737 ( 1.490 -3.116 -5.451) 6.454 5.851 ( 0.756 3.613 -2.610) 4.521 5.959 ( -9.397 6.904 4.096) 12.359 6.076 ( 1.910 -0.362 4.714) 5.099 6.160 ( 0.813 -0.348 -1.402) 1.658 6.375 ( 7.420 0.516 0.074) 7.438 6.500 ( 0.338 -5.659 1.101) 5.775 6.624 ( 7.576 3.599 7.210) 11.061 6.715 ( 3.418 -1.492 -7.776) 8.624 6.769 ( -1.312 -1.544 1.107) 2.309 6.950 ( -0.743 7.113 0.162) 7.154 6.992 ( 1.942 6.414 -6.210) 9.136 7.181 ( -9.686 -5.260 -0.919) 11.061 7.195 ( -3.842 -1.627 8.877) 9.809 7.370 ( -3.036 1.644 -3.442) 4.875 7.519 ( 5.701 -2.564 -3.050) 6.956 7.615 ( -5.626 -2.828 1.618) 6.501 7.846 ( 1.039 1.768 -2.310) 3.089 7.901 ( -1.615 -1.064 -1.473) 2.431 8.061 ( 4.054 -0.124 5.027) 6.459 8.163 ( 0.473 -2.685 -3.882) 4.744 8.191 ( -1.919 -1.794 0.966) 2.799 8.283 ( -7.337 -2.867 0.829) 7.921 8.754 ( -1.135 -1.476 8.441) 8.644 8.919 ( 0.024 -5.860 -7.411) 9.448 9.368 ( 8.981 6.034 -2.710) 11.154 9.531 ( -2.690 2.495 5.433) 6.556 9.569 ( -3.172 5.265 -2.333) 6.574 9.711 ( -6.690 -3.387 -3.549) 8.296 10.093 ( 3.382 -2.367 2.702) 4.933 10.245 ( -5.698 0.775 2.456) 6.253 10.310 ( 2.502 2.852 -0.624) 3.845 10.388 ( -0.300 -0.059 -3.609) 3.621 10.554 ( 3.091 1.365 -1.973) 3.913 10.642 ( -4.451 0.488 -0.711) 4.534 10.739 ( 7.615 -6.334 2.370) 10.184 10.898 ( -2.030 -6.960 -0.788) 7.293 11.378 ( 3.084 4.752 2.748) 6.297 11.514 ( -1.294 3.785 -4.720) 6.187 11.740 ( 1.633 1.811 4.602) 5.208 11.831 ( 1.662 6.989 4.337) 8.392 11.890 ( 3.556 -0.391 -6.466) 7.389 11.961 ( -3.751 4.508 1.956) 6.182 12.024 ( 3.172 1.245 5.718) 6.656 12.172 ( 1.620 1.235 -3.310) 3.886 12.577 ( -2.531 -0.329 -0.032) 2.552 12.645 ( -3.483 1.001 -3.278) 4.886 12.914 ( 3.734 -6.944 3.283) 8.541 12.988 ( 1.885 -5.657 -0.769) 6.012 13.308 ( 0.589 -0.230 2.594) 2.670 13.431 ( -1.321 -7.276 -7.804) 10.751 13.901 ( 2.445 -1.890 5.257) 6.098 14.047 ( -0.840 1.849 -1.981) 2.837 14.127 ( 0.344 -0.836 -0.602) 1.086 14.236 ( -8.576 -3.475 1.556) 9.383 14.648 ( 8.534 1.444 -6.229) 10.664 14.731 ( -5.157 3.541 2.862) 6.879 15.112 ( 3.146 -0.544 -1.558) 3.553 15.190 ( -6.211 -2.753 2.871) 7.376 18.714 ( 7.795 6.440 -0.532) 10.125 18.883 ( -7.077 3.760 1.689) 8.190 19.465 ( 13.085 1.729 -0.415) 13.206 19.776 ( -8.930 -9.978 2.551) 13.631 19.901 ( -1.500 1.773 8.651) 8.957 20.167 ( -2.974 1.804 -12.562) 13.035 ======================= Grid point 218 (114/116) ======================= q-point: (-0.29 -0.71 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 8.552 -3.918 -7.607) 12.097 1.564 ( -8.552 -3.918 7.607) 12.097 2.447 ( 2.657 -8.406 -15.156) 17.533 2.447 ( -2.657 -8.406 15.156) 17.533 2.571 ( 1.244 6.468 -1.790) 6.825 2.571 ( -1.244 6.468 1.790) 6.825 3.087 ( -2.015 -9.931 -7.569) 12.649 3.087 ( 2.015 -9.931 7.569) 12.649 3.616 ( -8.061 8.396 -11.854) 16.613 3.616 ( 8.061 8.396 11.854) 16.613 3.733 ( -2.592 -5.991 -12.632) 14.219 3.733 ( 2.592 -5.991 12.632) 14.219 4.166 ( 5.192 4.016 -3.764) 7.567 4.166 ( -5.192 4.016 3.764) 7.567 4.357 ( 0.642 -0.097 -5.183) 5.224 4.357 ( -0.642 -0.097 5.183) 5.224 4.748 ( -0.812 -0.124 -1.477) 1.690 4.748 ( 0.812 -0.124 1.477) 1.690 4.942 ( 5.352 -0.094 -3.559) 6.428 4.942 ( -5.352 -0.094 3.559) 6.428 5.154 ( -1.761 8.744 -5.612) 10.538 5.154 ( 1.761 8.744 5.612) 10.538 5.358 ( 12.085 6.112 -9.572) 16.584 5.358 ( -12.085 6.112 9.572) 16.584 5.743 ( 5.775 -4.316 -3.702) 8.105 5.743 ( -5.775 -4.316 3.702) 8.105 5.883 ( -0.043 -3.484 -0.354) 3.503 5.883 ( 0.043 -3.484 0.354) 3.503 6.122 ( -0.908 1.911 -2.364) 3.173 6.122 ( 0.908 1.911 2.364) 3.173 6.466 ( 1.786 0.662 -1.806) 2.625 6.466 ( -1.786 0.662 1.806) 2.625 6.672 ( -2.592 6.091 -2.335) 7.020 6.672 ( 2.592 6.091 2.335) 7.020 6.842 ( -4.663 -2.108 -5.354) 7.407 6.842 ( 4.663 -2.108 5.354) 7.407 7.046 ( -5.536 -5.047 -6.834) 10.140 7.046 ( 5.536 -5.047 6.834) 10.140 7.310 ( -1.539 -1.708 -3.379) 4.087 7.310 ( 1.539 -1.708 3.379) 4.087 7.620 ( 2.903 -3.792 -6.339) 7.936 7.620 ( -2.903 -3.792 6.339) 7.936 7.840 ( 7.175 0.544 -7.200) 10.179 7.840 ( -7.175 0.544 7.200) 10.179 8.153 ( -0.781 -0.135 -6.156) 6.207 8.153 ( 0.781 -0.135 6.156) 6.207 8.286 ( 1.808 -7.950 -3.569) 8.900 8.286 ( -1.808 -7.950 3.569) 8.900 8.890 ( -0.688 -2.888 -11.652) 12.024 8.890 ( 0.688 -2.888 11.652) 12.024 9.348 ( -1.908 7.749 -2.866) 8.480 9.348 ( 1.908 7.749 2.866) 8.480 9.622 ( -3.279 -0.565 -5.655) 6.561 9.622 ( 3.279 -0.565 5.655) 6.561 10.161 ( 4.524 3.020 -6.257) 8.291 10.161 ( -4.524 3.020 6.257) 8.291 10.350 ( 1.181 -1.284 -6.912) 7.129 10.350 ( -1.181 -1.284 6.912) 7.129 10.578 ( -0.648 -0.148 -4.007) 4.062 10.578 ( 0.648 -0.148 4.007) 4.062 10.930 ( -6.437 -4.549 -0.657) 7.910 10.930 ( 6.437 -4.549 0.657) 7.910 11.380 ( -1.928 3.894 -5.412) 6.941 11.380 ( 1.928 3.894 5.412) 6.941 11.729 ( -0.895 7.027 -1.598) 7.262 11.729 ( 0.895 7.027 1.598) 7.262 11.878 ( 4.784 3.446 -4.621) 7.490 11.878 ( -4.784 3.446 4.621) 7.490 12.101 ( -2.839 -0.776 -5.384) 6.136 12.101 ( 2.839 -0.776 5.384) 6.136 12.582 ( -1.232 1.245 -3.560) 3.968 12.582 ( 1.232 1.245 3.560) 3.968 13.036 ( 0.658 -1.471 -6.460) 6.658 13.036 ( -0.658 -1.471 6.460) 6.658 13.446 ( -3.986 -8.705 -8.258) 12.643 13.446 ( 3.986 -8.705 8.258) 12.643 13.977 ( -3.103 1.112 -2.561) 4.174 13.977 ( 3.103 1.112 2.561) 4.174 14.220 ( -2.801 -5.224 -1.958) 6.243 14.220 ( 2.801 -5.224 1.958) 6.243 14.660 ( 4.127 1.461 -4.232) 6.090 14.660 ( -4.127 1.461 4.232) 6.090 15.175 ( 1.119 -2.564 -1.680) 3.263 15.175 ( -1.119 -2.564 1.680) 3.263 18.725 ( -5.433 5.247 -2.600) 7.988 18.725 ( 5.433 5.247 2.600) 7.988 19.603 ( -9.866 5.106 -5.225) 12.277 19.603 ( 9.866 5.106 5.225) 12.277 20.066 ( -2.642 -5.350 -6.363) 8.723 20.066 ( 2.642 -5.350 6.363) 8.723 ======================= Grid point 224 (115/116) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -12.960 -0.000 15.232) 19.999 1.619 ( 5.137 0.000 -11.037) 12.174 2.129 ( 5.465 0.000 -3.039) 6.253 2.268 ( 2.649 0.000 -10.629) 10.954 2.654 ( 2.683 0.000 -4.291) 5.060 2.718 ( -1.006 -0.000 6.207) 6.288 2.932 ( 6.026 0.000 -3.043) 6.751 3.193 ( 3.372 0.000 -2.739) 4.344 3.295 ( 0.999 0.000 1.266) 1.613 3.447 ( -11.707 -0.000 -10.278) 15.578 3.707 ( 5.554 0.000 4.257) 6.997 4.055 ( -16.072 -0.000 2.406) 16.251 4.302 ( -2.324 -0.000 8.378) 8.694 4.305 ( 10.601 0.000 -5.155) 11.788 4.560 ( 3.120 0.000 1.347) 3.398 4.600 ( 0.511 0.000 12.454) 12.464 4.701 ( 28.606 0.000 -21.536) 35.807 4.817 ( -3.622 -0.000 0.582) 3.668 4.830 ( 3.304 0.000 4.537) 5.613 4.941 ( -5.387 -0.000 2.911) 6.123 5.028 ( -4.470 -0.000 -0.862) 4.552 5.068 ( -4.285 -0.000 3.904) 5.797 5.146 ( 7.853 0.000 2.283) 8.178 5.392 ( -10.078 -0.000 0.915) 10.120 5.659 ( 2.389 0.000 -2.795) 3.677 5.758 ( -5.458 -0.000 -0.218) 5.462 5.911 ( 2.317 0.000 1.460) 2.739 5.996 ( -4.901 -0.000 0.892) 4.982 6.075 ( 7.009 0.000 -5.473) 8.893 6.242 ( -12.728 -0.000 2.212) 12.918 6.441 ( 7.550 0.000 -4.669) 8.877 6.472 ( 10.178 0.000 6.290) 11.965 6.489 ( 0.511 0.000 0.481) 0.702 6.700 ( -2.499 -0.000 -1.335) 2.833 6.855 ( 8.635 0.000 1.594) 8.781 7.014 ( -0.752 -0.000 -3.359) 3.442 7.079 ( 0.269 0.000 5.240) 5.247 7.178 ( 2.543 0.000 -3.336) 4.195 7.202 ( -6.766 -0.000 1.985) 7.051 7.332 ( -9.932 -0.000 -0.229) 9.935 7.500 ( -1.664 -0.000 1.215) 2.061 7.617 ( -4.072 -0.000 -2.386) 4.720 7.843 ( 5.867 0.000 -3.690) 6.931 7.888 ( -5.643 -0.000 2.966) 6.376 8.046 ( 2.521 0.000 6.946) 7.390 8.112 ( 3.403 0.000 -5.403) 6.385 8.175 ( 1.134 0.000 -5.741) 5.852 8.267 ( -13.219 -0.000 4.408) 13.934 8.776 ( -5.895 -0.000 6.217) 8.568 8.777 ( 3.987 0.000 -5.576) 6.855 9.475 ( 12.497 0.000 -5.054) 13.480 9.568 ( -1.086 -0.000 5.059) 5.174 9.622 ( -2.092 -0.000 -2.726) 3.436 9.664 ( -8.769 -0.000 2.603) 9.148 10.043 ( 2.187 0.000 3.845) 4.424 10.237 ( -4.369 -0.000 -0.319) 4.380 10.401 ( -0.988 -0.000 0.303) 1.033 10.429 ( -3.493 -0.000 -4.850) 5.977 10.540 ( 8.364 0.000 -3.390) 9.025 10.594 ( 0.702 0.000 3.849) 3.912 10.658 ( 0.388 0.000 0.694) 0.795 10.774 ( -1.887 -0.000 -5.581) 5.892 11.484 ( 3.598 0.000 4.489) 5.753 11.556 ( 1.505 0.000 -0.541) 1.600 11.789 ( 0.652 0.000 -2.048) 2.150 11.814 ( 0.551 0.000 -3.210) 3.256 11.927 ( 1.935 0.000 4.665) 5.051 12.033 ( -0.007 -0.000 3.966) 3.966 12.137 ( 0.919 0.000 7.637) 7.692 12.200 ( 11.124 0.000 -0.743) 11.149 12.593 ( -1.531 -0.000 -6.177) 6.364 12.607 ( -7.284 -0.000 -2.637) 7.746 12.806 ( 0.091 0.000 -2.430) 2.432 12.821 ( -0.667 -0.000 2.123) 2.226 13.328 ( -0.078 -0.000 -0.436) 0.443 13.334 ( 2.169 0.000 -5.124) 5.564 13.855 ( 2.089 0.000 8.181) 8.443 14.078 ( -3.154 -0.000 -6.999) 7.677 14.108 ( -1.833 -0.000 3.581) 4.023 14.206 ( -6.847 -0.000 -1.581) 7.028 14.677 ( 12.070 0.000 -9.456) 15.333 14.789 ( -9.225 -0.000 7.017) 11.591 15.108 ( 3.775 0.000 -3.452) 5.115 15.155 ( -6.064 -0.000 4.764) 7.712 18.822 ( 6.522 0.000 0.137) 6.523 18.985 ( -6.154 -0.000 0.532) 6.177 19.491 ( 12.528 0.000 -8.910) 15.373 19.519 ( -1.346 -0.000 12.176) 12.250 19.946 ( -7.257 -0.000 12.653) 14.586 20.218 ( -3.262 -0.000 -16.383) 16.705 ======================= Grid point 225 (116/116) ======================= q-point: (-0.43 -0.57 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 10.608 2.078 -12.762) 16.724 1.590 ( -10.608 2.078 12.762) 16.724 2.217 ( -3.720 -4.137 -5.828) 8.057 2.217 ( 3.720 -4.137 5.828) 8.057 2.726 ( 1.397 -3.992 -7.735) 8.816 2.726 ( -1.397 -3.992 7.735) 8.816 2.983 ( -7.812 10.175 -6.335) 14.307 2.983 ( 7.812 10.175 6.335) 14.307 3.412 ( -5.711 -10.134 -8.587) 14.459 3.412 ( 5.711 -10.134 8.587) 14.459 3.865 ( -2.562 0.714 -4.769) 5.460 3.865 ( 2.562 0.714 4.769) 5.460 4.304 ( 2.643 3.817 -2.770) 5.407 4.304 ( -2.643 3.817 2.770) 5.407 4.495 ( -5.199 12.108 -1.840) 13.304 4.495 ( 5.199 12.108 1.840) 13.304 4.828 ( 4.665 2.803 -6.022) 8.117 4.828 ( -4.665 2.803 6.022) 8.117 4.884 ( 3.255 -3.991 -8.591) 10.016 4.884 ( -3.255 -3.991 8.591) 10.016 5.101 ( 9.251 -6.947 -7.773) 13.938 5.101 ( -9.251 -6.947 7.773) 13.938 5.323 ( 0.675 -6.413 -7.797) 10.117 5.323 ( -0.675 -6.413 7.797) 10.117 5.682 ( 0.449 0.718 -2.818) 2.943 5.682 ( -0.449 0.718 2.818) 2.943 5.958 ( 2.174 2.206 -2.315) 3.867 5.958 ( -2.174 2.206 2.315) 3.867 6.101 ( -3.454 0.500 -1.057) 3.646 6.101 ( 3.454 0.500 1.057) 3.646 6.473 ( -0.064 0.713 -2.470) 2.572 6.473 ( 0.064 0.713 2.470) 2.572 6.656 ( -0.564 -3.606 -6.581) 7.525 6.656 ( 0.564 -3.606 6.581) 7.525 6.935 ( -10.054 3.772 -5.068) 11.875 6.935 ( 10.054 3.772 5.068) 11.875 7.083 ( -2.845 5.188 -1.408) 6.082 7.083 ( 2.845 5.188 1.408) 6.082 7.251 ( -3.332 -3.251 -5.978) 7.577 7.251 ( 3.332 -3.251 5.978) 7.577 7.541 ( 1.070 -0.473 -1.993) 2.311 7.541 ( -1.070 -0.473 1.993) 2.311 7.869 ( 4.156 -0.098 -5.808) 7.142 7.869 ( -4.156 -0.098 5.808) 7.142 8.132 ( 2.615 -0.216 -4.582) 5.280 8.132 ( -2.615 -0.216 4.582) 5.280 8.164 ( -2.618 -1.780 -2.504) 4.036 8.164 ( 2.618 -1.780 2.504) 4.036 8.785 ( 2.115 -2.209 -7.374) 7.983 8.785 ( -2.115 -2.209 7.374) 7.983 9.547 ( 7.736 4.082 -5.067) 10.108 9.547 ( -7.736 4.082 5.067) 10.108 9.597 ( -3.397 -0.807 -0.473) 3.523 9.597 ( 3.397 -0.807 0.473) 3.523 10.151 ( -6.206 -1.547 -3.775) 7.427 10.151 ( 6.206 -1.547 3.775) 7.427 10.368 ( 1.233 2.044 -2.479) 3.441 10.368 ( -1.233 2.044 2.479) 3.441 10.604 ( 4.824 0.538 -1.979) 5.242 10.604 ( -4.824 0.538 1.979) 5.242 10.739 ( -3.313 -5.680 -3.815) 7.602 10.739 ( 3.313 -5.680 3.815) 7.602 11.515 ( -2.096 4.000 -3.706) 5.842 11.515 ( 2.096 4.000 3.706) 5.842 11.807 ( -1.041 -1.801 -4.737) 5.173 11.807 ( 1.041 -1.801 4.737) 5.173 11.972 ( -3.848 3.357 -1.796) 5.413 11.972 ( 3.848 3.357 1.796) 5.413 12.196 ( -0.061 5.399 -7.964) 9.622 12.196 ( 0.061 5.399 7.964) 9.622 12.559 ( 0.327 -2.145 -4.643) 5.125 12.559 ( -0.327 -2.145 4.643) 5.125 12.868 ( -1.413 -6.865 -2.276) 7.369 12.868 ( 1.413 -6.865 2.276) 7.369 13.327 ( 0.976 -0.505 -2.809) 3.016 13.327 ( -0.976 -0.505 2.809) 3.016 13.976 ( -4.359 -1.010 -6.531) 7.917 13.976 ( 4.359 -1.010 6.531) 7.917 14.137 ( -1.276 -0.553 -1.537) 2.073 14.137 ( 1.276 -0.553 1.537) 2.073 14.724 ( 9.352 1.638 -7.094) 11.852 14.724 ( -9.352 1.638 7.094) 11.852 15.130 ( 4.741 -0.434 -3.486) 5.900 15.130 ( -4.741 -0.434 3.486) 5.900 18.873 ( -4.119 3.999 -1.331) 5.894 18.873 ( 4.119 3.999 1.331) 5.894 19.582 ( 5.737 -3.994 -6.807) 9.757 19.582 ( -5.737 -3.994 6.807) 9.757 20.028 ( -0.984 1.325 -15.736) 15.822 20.028 ( 0.984 1.325 15.736) 15.822 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/35280 10.0 1848.476 1880.884 1684.296 -0.000 27.325 0.000 3/35280 20.0 272.622 255.563 272.845 -0.000 -8.307 0.000 3/35280 30.0 92.063 88.454 94.981 -0.000 -2.665 -0.000 3/35280 40.0 46.730 45.430 48.819 -0.000 -1.608 -0.000 3/35280 50.0 29.187 28.520 30.608 -0.000 -1.234 -0.000 3/35280 60.0 20.549 20.114 21.546 -0.000 -1.035 -0.000 3/35280 70.0 15.593 15.265 16.318 -0.000 -0.900 -0.000 3/35280 80.0 12.438 12.167 12.981 -0.000 -0.798 -0.000 3/35280 90.0 10.275 10.040 10.694 -0.000 -0.716 -0.000 3/35280 100.0 8.711 8.502 9.042 -0.000 -0.648 -0.000 3/35280 110.0 7.535 7.345 7.801 -0.000 -0.591 -0.000 3/35280 120.0 6.624 6.448 6.842 -0.000 -0.542 -0.000 3/35280 130.0 5.899 5.735 6.080 -0.000 -0.501 -0.000 3/35280 140.0 5.312 5.158 5.465 -0.000 -0.465 -0.000 3/35280 150.0 4.828 4.683 4.959 -0.000 -0.433 -0.000 3/35280 160.0 4.423 4.286 4.536 -0.000 -0.406 -0.000 3/35280 170.0 4.080 3.949 4.179 -0.000 -0.382 -0.000 3/35280 180.0 3.786 3.661 3.873 -0.000 -0.360 -0.000 3/35280 190.0 3.532 3.412 3.609 -0.000 -0.341 -0.000 3/35280 200.0 3.310 3.195 3.379 -0.000 -0.324 -0.000 3/35280 210.0 3.115 3.004 3.177 -0.000 -0.308 -0.000 3/35280 220.0 2.941 2.835 2.998 -0.000 -0.294 -0.000 3/35280 230.0 2.787 2.684 2.838 -0.000 -0.281 -0.000 3/35280 240.0 2.648 2.549 2.695 -0.000 -0.270 -0.000 3/35280 250.0 2.523 2.427 2.566 -0.000 -0.259 -0.000 3/35280 260.0 2.409 2.316 2.449 -0.000 -0.249 -0.000 3/35280 270.0 2.306 2.216 2.343 -0.000 -0.240 -0.000 3/35280 280.0 2.211 2.124 2.246 -0.000 -0.231 -0.000 3/35280 290.0 2.124 2.039 2.157 -0.000 -0.223 -0.000 3/35280 300.0 2.044 1.961 2.074 -0.000 -0.216 -0.000 3/35280 310.0 1.970 1.889 1.998 -0.000 -0.209 -0.000 3/35280 320.0 1.901 1.822 1.928 -0.000 -0.203 -0.000 3/35280 330.0 1.837 1.760 1.862 -0.000 -0.196 -0.000 3/35280 340.0 1.777 1.703 1.801 -0.000 -0.191 -0.000 3/35280 350.0 1.721 1.648 1.744 -0.000 -0.185 -0.000 3/35280 360.0 1.669 1.598 1.691 -0.000 -0.180 -0.000 3/35280 370.0 1.620 1.550 1.641 -0.000 -0.175 -0.000 3/35280 380.0 1.573 1.506 1.593 -0.000 -0.171 -0.000 3/35280 390.0 1.530 1.463 1.549 -0.000 -0.167 -0.000 3/35280 400.0 1.489 1.424 1.507 -0.000 -0.162 -0.000 3/35280 410.0 1.450 1.386 1.467 -0.000 -0.159 -0.000 3/35280 420.0 1.413 1.350 1.430 -0.000 -0.155 -0.000 3/35280 430.0 1.378 1.317 1.394 -0.000 -0.151 -0.000 3/35280 440.0 1.344 1.285 1.360 -0.000 -0.148 -0.000 3/35280 450.0 1.312 1.254 1.328 -0.000 -0.145 -0.000 3/35280 460.0 1.282 1.225 1.297 -0.000 -0.142 -0.000 3/35280 470.0 1.253 1.197 1.268 -0.000 -0.139 -0.000 3/35280 480.0 1.226 1.171 1.240 -0.000 -0.136 -0.000 3/35280 490.0 1.200 1.145 1.213 -0.000 -0.133 -0.000 3/35280 500.0 1.174 1.121 1.187 -0.000 -0.130 -0.000 3/35280 510.0 1.150 1.098 1.163 -0.000 -0.128 -0.000 3/35280 520.0 1.127 1.076 1.139 -0.000 -0.125 -0.000 3/35280 530.0 1.105 1.054 1.117 -0.000 -0.123 -0.000 3/35280 540.0 1.083 1.034 1.095 -0.000 -0.121 -0.000 3/35280 550.0 1.063 1.014 1.074 -0.000 -0.119 -0.000 3/35280 560.0 1.043 0.995 1.054 -0.000 -0.117 -0.000 3/35280 570.0 1.024 0.977 1.035 -0.000 -0.115 -0.000 3/35280 580.0 1.006 0.960 1.016 -0.000 -0.113 -0.000 3/35280 590.0 0.988 0.943 0.999 -0.000 -0.111 -0.000 3/35280 600.0 0.971 0.926 0.981 -0.000 -0.109 -0.000 3/35280 610.0 0.955 0.910 0.965 -0.000 -0.107 -0.000 3/35280 620.0 0.939 0.895 0.948 -0.000 -0.105 -0.000 3/35280 630.0 0.923 0.880 0.933 -0.000 -0.104 -0.000 3/35280 640.0 0.909 0.866 0.918 -0.000 -0.102 -0.000 3/35280 650.0 0.894 0.852 0.903 -0.000 -0.101 -0.000 3/35280 660.0 0.880 0.839 0.889 -0.000 -0.099 -0.000 3/35280 670.0 0.867 0.826 0.875 -0.000 -0.098 -0.000 3/35280 680.0 0.854 0.814 0.862 -0.000 -0.096 -0.000 3/35280 690.0 0.841 0.801 0.849 -0.000 -0.095 -0.000 3/35280 700.0 0.829 0.790 0.837 -0.000 -0.093 -0.000 3/35280 710.0 0.817 0.778 0.825 -0.000 -0.092 -0.000 3/35280 720.0 0.805 0.767 0.813 -0.000 -0.091 -0.000 3/35280 730.0 0.794 0.756 0.802 -0.000 -0.090 -0.000 3/35280 740.0 0.783 0.746 0.790 -0.000 -0.088 -0.000 3/35280 750.0 0.772 0.736 0.780 -0.000 -0.087 -0.000 3/35280 760.0 0.762 0.726 0.769 -0.000 -0.086 -0.000 3/35280 770.0 0.752 0.716 0.759 -0.000 -0.085 -0.000 3/35280 780.0 0.742 0.707 0.749 -0.000 -0.084 -0.000 3/35280 790.0 0.732 0.698 0.739 -0.000 -0.083 -0.000 3/35280 800.0 0.723 0.689 0.730 -0.000 -0.082 -0.000 3/35280 810.0 0.714 0.680 0.721 -0.000 -0.081 -0.000 3/35280 820.0 0.705 0.671 0.712 -0.000 -0.080 -0.000 3/35280 830.0 0.696 0.663 0.703 -0.000 -0.079 -0.000 3/35280 840.0 0.688 0.655 0.694 -0.000 -0.078 -0.000 3/35280 850.0 0.680 0.647 0.686 -0.000 -0.077 -0.000 3/35280 860.0 0.672 0.640 0.678 -0.000 -0.076 -0.000 3/35280 870.0 0.664 0.632 0.670 -0.000 -0.075 -0.000 3/35280 880.0 0.656 0.625 0.662 -0.000 -0.074 -0.000 3/35280 890.0 0.649 0.618 0.655 -0.000 -0.074 -0.000 3/35280 900.0 0.641 0.611 0.647 -0.000 -0.073 -0.000 3/35280 910.0 0.634 0.604 0.640 -0.000 -0.072 -0.000 3/35280 920.0 0.627 0.597 0.633 -0.000 -0.071 -0.000 3/35280 930.0 0.620 0.591 0.626 -0.000 -0.070 -0.000 3/35280 940.0 0.614 0.584 0.619 -0.000 -0.070 -0.000 3/35280 950.0 0.607 0.578 0.613 -0.000 -0.069 -0.000 3/35280 960.0 0.601 0.572 0.606 -0.000 -0.068 -0.000 3/35280 970.0 0.594 0.566 0.600 -0.000 -0.068 -0.000 3/35280 980.0 0.588 0.560 0.594 -0.000 -0.067 -0.000 3/35280 990.0 0.582 0.554 0.588 -0.000 -0.066 -0.000 3/35280 1000.0 0.576 0.549 0.582 -0.000 -0.066 -0.000 3/35280 Thermal conductivity related properties were written into "kappa-m778.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:01:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|