----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:00:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.207729810000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.967873839999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.825202460000000 Atomic positions (fractional): *1 Er 0.01988250262110 0.39681935651715 0.53599959570200 167.259 *2 Er 0.04080503287719 0.28239369722798 0.13282624950488 167.259 3 Er 0.45919496712281 0.71760630277202 0.63282624950488 167.259 4 Er 0.48011749737890 0.60318064348286 0.03599959570200 167.259 5 Er 0.51988250262110 0.10318064348285 0.46400040429800 167.259 6 Er 0.54080503287719 0.21760630277202 0.86717375049512 167.259 7 Er 0.95919496712281 0.78239369722798 0.36717375049512 167.259 8 Er 0.98011749737890 0.89681935651714 0.96400040429800 167.259 *9 Te 0.03923133731253 0.00542660052311 0.64967023912397 127.600 10 Te 0.46076866268747 0.99457339947689 0.14967023912396 127.600 11 Te 0.53923133731253 0.49457339947689 0.35032976087604 127.600 12 Te 0.96076866268747 0.50542660052311 0.85032976087603 127.600 *13 O 0.08625551094189 0.65670483227453 0.97256423570067 15.999 *14 O 0.17001919237554 0.55131305578286 0.69705441362597 15.999 *15 O 0.18916337184876 0.85688245712389 0.76470414675624 15.999 *16 O 0.17517118043459 0.85830634941704 0.17949776792605 15.999 *17 O 0.23600156333625 0.38557264129611 0.93123096471063 15.999 *18 O 0.25430383200951 0.08769484535687 0.00490122438915 15.999 19 O 0.24569616799049 0.91230515464313 0.50490122438915 15.999 20 O 0.26399843666375 0.61442735870389 0.43123096471063 15.999 21 O 0.32482881956541 0.14169365058295 0.67949776792605 15.999 22 O 0.31083662815124 0.14311754287611 0.26470414675624 15.999 23 O 0.32998080762446 0.44868694421714 0.19705441362597 15.999 24 O 0.41374448905811 0.34329516772547 0.47256423570067 15.999 25 O 0.58625551094189 0.84329516772547 0.02743576429933 15.999 26 O 0.67001919237554 0.94868694421714 0.30294558637403 15.999 27 O 0.68916337184876 0.64311754287611 0.23529585324376 15.999 28 O 0.67517118043459 0.64169365058296 0.82050223207395 15.999 29 O 0.73600156333625 0.11442735870389 0.06876903528937 15.999 30 O 0.75430383200951 0.41230515464313 0.99509877561085 15.999 31 O 0.74569616799049 0.58769484535687 0.49509877561085 15.999 32 O 0.76399843666375 0.88557264129611 0.56876903528937 15.999 33 O 0.82482881956541 0.35830634941704 0.32050223207395 15.999 34 O 0.81083662815124 0.35688245712389 0.73529585324376 15.999 35 O 0.82998080762446 0.05131305578286 0.80294558637403 15.999 36 O 0.91374448905811 0.15670483227453 0.52743576429933 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.207729810000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.967873839999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.825202460000000 Atomic positions (fractional): *1 Er 0.01988250262110 0.39681935651715 0.53599959570200 167.259 > 1 *2 Er 0.04080503287719 0.28239369722798 0.13282624950488 167.259 > 2 3 Er 0.45919496712281 0.71760630277202 0.63282624950488 167.259 > 3 4 Er 0.48011749737890 0.60318064348286 0.03599959570200 167.259 > 4 5 Er 0.51988250262110 0.10318064348285 0.46400040429800 167.259 > 5 6 Er 0.54080503287719 0.21760630277202 0.86717375049512 167.259 > 6 7 Er 0.95919496712281 0.78239369722798 0.36717375049512 167.259 > 7 8 Er 0.98011749737890 0.89681935651714 0.96400040429800 167.259 > 8 *9 Te 0.03923133731253 0.00542660052311 0.64967023912397 127.600 > 9 10 Te 0.46076866268747 0.99457339947689 0.14967023912396 127.600 > 10 11 Te 0.53923133731253 0.49457339947689 0.35032976087604 127.600 > 11 12 Te 0.96076866268747 0.50542660052311 0.85032976087603 127.600 > 12 *13 O 0.08625551094189 0.65670483227453 0.97256423570067 15.999 > 13 *14 O 0.17001919237554 0.55131305578286 0.69705441362597 15.999 > 14 *15 O 0.18916337184876 0.85688245712389 0.76470414675624 15.999 > 15 *16 O 0.17517118043459 0.85830634941704 0.17949776792605 15.999 > 16 *17 O 0.23600156333625 0.38557264129611 0.93123096471063 15.999 > 17 *18 O 0.25430383200951 0.08769484535687 0.00490122438915 15.999 > 18 19 O 0.24569616799049 0.91230515464313 0.50490122438915 15.999 > 19 20 O 0.26399843666375 0.61442735870389 0.43123096471063 15.999 > 20 21 O 0.32482881956541 0.14169365058295 0.67949776792605 15.999 > 21 22 O 0.31083662815124 0.14311754287611 0.26470414675624 15.999 > 22 23 O 0.32998080762446 0.44868694421714 0.19705441362597 15.999 > 23 24 O 0.41374448905811 0.34329516772547 0.47256423570067 15.999 > 24 25 O 0.58625551094189 0.84329516772547 0.02743576429933 15.999 > 25 26 O 0.67001919237554 0.94868694421714 0.30294558637403 15.999 > 26 27 O 0.68916337184876 0.64311754287611 0.23529585324376 15.999 > 27 28 O 0.67517118043459 0.64169365058296 0.82050223207395 15.999 > 28 29 O 0.73600156333625 0.11442735870389 0.06876903528937 15.999 > 29 30 O 0.75430383200951 0.41230515464313 0.99509877561085 15.999 > 30 31 O 0.74569616799049 0.58769484535687 0.49509877561085 15.999 > 31 32 O 0.76399843666375 0.88557264129611 0.56876903528937 15.999 > 32 33 O 0.82482881956541 0.35830634941704 0.32050223207395 15.999 > 33 34 O 0.81083662815124 0.35688245712389 0.73529585324376 15.999 > 34 35 O 0.82998080762446 0.05131305578286 0.80294558637403 15.999 > 35 36 O 0.91374448905811 0.15670483227453 0.52743576429933 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.415459620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.935747679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.825202460000000 Atomic positions (fractional): *1 Er 0.00994125131055 0.19840967825857 0.53599959570200 167.259 > 1 2 Er 0.50994125131055 0.19840967825857 0.53599959570200 167.259 > 1 3 Er 0.00994125131055 0.69840967825857 0.53599959570200 167.259 > 1 4 Er 0.50994125131055 0.69840967825857 0.53599959570200 167.259 > 1 *5 Er 0.02040251643859 0.14119684861399 0.13282624950488 167.259 > 2 6 Er 0.52040251643859 0.14119684861399 0.13282624950488 167.259 > 2 7 Er 0.02040251643859 0.64119684861399 0.13282624950488 167.259 > 2 8 Er 0.52040251643859 0.64119684861399 0.13282624950488 167.259 > 2 9 Er 0.22959748356141 0.35880315138601 0.63282624950488 167.259 > 3 10 Er 0.72959748356141 0.35880315138601 0.63282624950488 167.259 > 3 11 Er 0.22959748356141 0.85880315138601 0.63282624950488 167.259 > 3 12 Er 0.72959748356141 0.85880315138601 0.63282624950488 167.259 > 3 13 Er 0.24005874868945 0.30159032174143 0.03599959570200 167.259 > 4 14 Er 0.74005874868945 0.30159032174143 0.03599959570200 167.259 > 4 15 Er 0.24005874868945 0.80159032174143 0.03599959570200 167.259 > 4 16 Er 0.74005874868945 0.80159032174143 0.03599959570200 167.259 > 4 17 Er 0.25994125131055 0.05159032174143 0.46400040429800 167.259 > 5 18 Er 0.75994125131055 0.05159032174143 0.46400040429800 167.259 > 5 19 Er 0.25994125131055 0.55159032174143 0.46400040429800 167.259 > 5 20 Er 0.75994125131055 0.55159032174143 0.46400040429800 167.259 > 5 21 Er 0.27040251643859 0.10880315138601 0.86717375049512 167.259 > 6 22 Er 0.77040251643859 0.10880315138601 0.86717375049512 167.259 > 6 23 Er 0.27040251643859 0.60880315138601 0.86717375049512 167.259 > 6 24 Er 0.77040251643859 0.60880315138601 0.86717375049512 167.259 > 6 25 Er 0.47959748356141 0.39119684861399 0.36717375049512 167.259 > 7 26 Er 0.97959748356141 0.39119684861399 0.36717375049512 167.259 > 7 27 Er 0.47959748356141 0.89119684861399 0.36717375049512 167.259 > 7 28 Er 0.97959748356141 0.89119684861399 0.36717375049512 167.259 > 7 29 Er 0.49005874868945 0.44840967825857 0.96400040429800 167.259 > 8 30 Er 0.99005874868945 0.44840967825857 0.96400040429800 167.259 > 8 31 Er 0.49005874868945 0.94840967825857 0.96400040429800 167.259 > 8 32 Er 0.99005874868945 0.94840967825857 0.96400040429800 167.259 > 8 *33 Te 0.01961566865626 0.00271330026155 0.64967023912397 127.600 > 9 34 Te 0.51961566865626 0.00271330026155 0.64967023912397 127.600 > 9 35 Te 0.01961566865626 0.50271330026155 0.64967023912397 127.600 > 9 36 Te 0.51961566865626 0.50271330026155 0.64967023912397 127.600 > 9 37 Te 0.23038433134374 0.49728669973845 0.14967023912396 127.600 > 10 38 Te 0.73038433134374 0.49728669973845 0.14967023912396 127.600 > 10 39 Te 0.23038433134374 0.99728669973845 0.14967023912396 127.600 > 10 40 Te 0.73038433134374 0.99728669973845 0.14967023912396 127.600 > 10 41 Te 0.26961566865627 0.24728669973845 0.35032976087604 127.600 > 11 42 Te 0.76961566865626 0.24728669973845 0.35032976087604 127.600 > 11 43 Te 0.26961566865627 0.74728669973845 0.35032976087604 127.600 > 11 44 Te 0.76961566865626 0.74728669973845 0.35032976087604 127.600 > 11 45 Te 0.48038433134373 0.25271330026155 0.85032976087603 127.600 > 12 46 Te 0.98038433134374 0.25271330026155 0.85032976087603 127.600 > 12 47 Te 0.48038433134373 0.75271330026155 0.85032976087603 127.600 > 12 48 Te 0.98038433134374 0.75271330026155 0.85032976087603 127.600 > 12 *49 O 0.04312775547095 0.32835241613726 0.97256423570067 15.999 > 13 50 O 0.54312775547095 0.32835241613726 0.97256423570067 15.999 > 13 51 O 0.04312775547095 0.82835241613726 0.97256423570067 15.999 > 13 52 O 0.54312775547095 0.82835241613726 0.97256423570067 15.999 > 13 *53 O 0.08500959618777 0.27565652789143 0.69705441362597 15.999 > 14 54 O 0.58500959618777 0.27565652789143 0.69705441362597 15.999 > 14 55 O 0.08500959618777 0.77565652789143 0.69705441362597 15.999 > 14 56 O 0.58500959618777 0.77565652789143 0.69705441362597 15.999 > 14 *57 O 0.09458168592438 0.42844122856194 0.76470414675624 15.999 > 15 58 O 0.59458168592438 0.42844122856194 0.76470414675624 15.999 > 15 59 O 0.09458168592438 0.92844122856194 0.76470414675624 15.999 > 15 60 O 0.59458168592438 0.92844122856194 0.76470414675624 15.999 > 15 *61 O 0.08758559021730 0.42915317470852 0.17949776792605 15.999 > 16 62 O 0.58758559021730 0.42915317470852 0.17949776792605 15.999 > 16 63 O 0.08758559021730 0.92915317470852 0.17949776792605 15.999 > 16 64 O 0.58758559021730 0.92915317470852 0.17949776792605 15.999 > 16 *65 O 0.11800078166813 0.19278632064806 0.93123096471063 15.999 > 17 66 O 0.61800078166813 0.19278632064806 0.93123096471063 15.999 > 17 67 O 0.11800078166813 0.69278632064806 0.93123096471063 15.999 > 17 68 O 0.61800078166813 0.69278632064806 0.93123096471063 15.999 > 17 *69 O 0.12715191600475 0.04384742267843 0.00490122438915 15.999 > 18 70 O 0.62715191600475 0.04384742267843 0.00490122438915 15.999 > 18 71 O 0.12715191600475 0.54384742267843 0.00490122438915 15.999 > 18 72 O 0.62715191600475 0.54384742267843 0.00490122438915 15.999 > 18 73 O 0.12284808399525 0.45615257732157 0.50490122438915 15.999 > 19 74 O 0.62284808399525 0.45615257732157 0.50490122438915 15.999 > 19 75 O 0.12284808399525 0.95615257732157 0.50490122438915 15.999 > 19 76 O 0.62284808399525 0.95615257732157 0.50490122438915 15.999 > 19 77 O 0.13199921833187 0.30721367935194 0.43123096471063 15.999 > 20 78 O 0.63199921833187 0.30721367935194 0.43123096471063 15.999 > 20 79 O 0.13199921833187 0.80721367935194 0.43123096471063 15.999 > 20 80 O 0.63199921833187 0.80721367935194 0.43123096471063 15.999 > 20 81 O 0.16241440978270 0.07084682529148 0.67949776792605 15.999 > 21 82 O 0.66241440978270 0.07084682529148 0.67949776792605 15.999 > 21 83 O 0.16241440978270 0.57084682529148 0.67949776792605 15.999 > 21 84 O 0.66241440978270 0.57084682529148 0.67949776792605 15.999 > 21 85 O 0.15541831407562 0.07155877143806 0.26470414675624 15.999 > 22 86 O 0.65541831407562 0.07155877143806 0.26470414675624 15.999 > 22 87 O 0.15541831407562 0.57155877143806 0.26470414675624 15.999 > 22 88 O 0.65541831407562 0.57155877143806 0.26470414675624 15.999 > 22 89 O 0.16499040381223 0.22434347210857 0.19705441362597 15.999 > 23 90 O 0.66499040381223 0.22434347210857 0.19705441362597 15.999 > 23 91 O 0.16499040381223 0.72434347210857 0.19705441362597 15.999 > 23 92 O 0.66499040381223 0.72434347210857 0.19705441362597 15.999 > 23 93 O 0.20687224452906 0.17164758386274 0.47256423570067 15.999 > 24 94 O 0.70687224452905 0.17164758386274 0.47256423570067 15.999 > 24 95 O 0.20687224452906 0.67164758386274 0.47256423570067 15.999 > 24 96 O 0.70687224452905 0.67164758386274 0.47256423570067 15.999 > 24 97 O 0.29312775547094 0.42164758386274 0.02743576429933 15.999 > 25 98 O 0.79312775547095 0.42164758386274 0.02743576429933 15.999 > 25 99 O 0.29312775547094 0.92164758386274 0.02743576429933 15.999 > 25 100 O 0.79312775547095 0.92164758386274 0.02743576429933 15.999 > 25 101 O 0.33500959618777 0.47434347210857 0.30294558637403 15.999 > 26 102 O 0.83500959618777 0.47434347210857 0.30294558637403 15.999 > 26 103 O 0.33500959618777 0.97434347210857 0.30294558637403 15.999 > 26 104 O 0.83500959618777 0.97434347210857 0.30294558637403 15.999 > 26 105 O 0.34458168592438 0.32155877143806 0.23529585324376 15.999 > 27 106 O 0.84458168592438 0.32155877143806 0.23529585324376 15.999 > 27 107 O 0.34458168592438 0.82155877143806 0.23529585324376 15.999 > 27 108 O 0.84458168592438 0.82155877143806 0.23529585324376 15.999 > 27 109 O 0.33758559021730 0.32084682529148 0.82050223207395 15.999 > 28 110 O 0.83758559021730 0.32084682529148 0.82050223207395 15.999 > 28 111 O 0.33758559021730 0.82084682529148 0.82050223207395 15.999 > 28 112 O 0.83758559021730 0.82084682529148 0.82050223207395 15.999 > 28 113 O 0.36800078166813 0.05721367935194 0.06876903528937 15.999 > 29 114 O 0.86800078166813 0.05721367935194 0.06876903528937 15.999 > 29 115 O 0.36800078166813 0.55721367935194 0.06876903528937 15.999 > 29 116 O 0.86800078166813 0.55721367935194 0.06876903528937 15.999 > 29 117 O 0.37715191600475 0.20615257732157 0.99509877561085 15.999 > 30 118 O 0.87715191600475 0.20615257732157 0.99509877561085 15.999 > 30 119 O 0.37715191600475 0.70615257732157 0.99509877561085 15.999 > 30 120 O 0.87715191600475 0.70615257732157 0.99509877561085 15.999 > 30 121 O 0.37284808399525 0.29384742267843 0.49509877561085 15.999 > 31 122 O 0.87284808399525 0.29384742267843 0.49509877561085 15.999 > 31 123 O 0.37284808399525 0.79384742267843 0.49509877561085 15.999 > 31 124 O 0.87284808399525 0.79384742267843 0.49509877561085 15.999 > 31 125 O 0.38199921833187 0.44278632064806 0.56876903528937 15.999 > 32 126 O 0.88199921833187 0.44278632064806 0.56876903528937 15.999 > 32 127 O 0.38199921833187 0.94278632064806 0.56876903528937 15.999 > 32 128 O 0.88199921833187 0.94278632064806 0.56876903528937 15.999 > 32 129 O 0.41241440978270 0.17915317470852 0.32050223207395 15.999 > 33 130 O 0.91241440978270 0.17915317470852 0.32050223207395 15.999 > 33 131 O 0.41241440978270 0.67915317470852 0.32050223207395 15.999 > 33 132 O 0.91241440978270 0.67915317470852 0.32050223207395 15.999 > 33 133 O 0.40541831407562 0.17844122856194 0.73529585324376 15.999 > 34 134 O 0.90541831407562 0.17844122856194 0.73529585324376 15.999 > 34 135 O 0.40541831407562 0.67844122856194 0.73529585324376 15.999 > 34 136 O 0.90541831407562 0.67844122856194 0.73529585324376 15.999 > 34 137 O 0.41499040381223 0.02565652789143 0.80294558637403 15.999 > 35 138 O 0.91499040381223 0.02565652789143 0.80294558637403 15.999 > 35 139 O 0.41499040381223 0.52565652789143 0.80294558637403 15.999 > 35 140 O 0.91499040381223 0.52565652789143 0.80294558637403 15.999 > 35 141 O 0.45687224452906 0.07835241613726 0.52743576429933 15.999 > 36 142 O 0.95687224452905 0.07835241613726 0.52743576429933 15.999 > 36 143 O 0.45687224452906 0.57835241613726 0.52743576429933 15.999 > 36 144 O 0.95687224452905 0.57835241613726 0.52743576429933 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0754215 0.0000000 0.0000000 0.0000000 4.0504489 0.0000000 0.0000000 0.0000000 4.1088031 -------------------------- Born effective charges -------------------------- 1 Er 3.6237157 -0.0578058 -0.0442051 0.0411698 3.7498913 0.1424010 -0.2321999 0.0191323 3.7983885 2 Er 4.2390815 0.1002852 0.1188411 -0.0679236 4.0227955 0.1602426 0.3120816 0.2351614 3.8238349 3 Er 4.2390815 0.1002852 -0.1188411 -0.0679236 4.0227955 -0.1602426 -0.3120816 -0.2351614 3.8238349 4 Er 3.6237157 -0.0578058 0.0442051 0.0411698 3.7498913 -0.1424010 0.2321999 -0.0191323 3.7983885 5 Er 3.6237157 0.0578058 0.0442051 -0.0411698 3.7498913 0.1424010 0.2321999 0.0191323 3.7983885 6 Er 4.2390815 -0.1002852 -0.1188411 0.0679236 4.0227955 0.1602426 -0.3120816 0.2351614 3.8238349 7 Er 4.2390815 -0.1002852 0.1188411 0.0679236 4.0227955 -0.1602426 0.3120816 -0.2351614 3.8238349 8 Er 3.6237157 0.0578058 -0.0442051 -0.0411698 3.7498913 -0.1424010 -0.2321999 -0.0191323 3.7983885 9 Te 5.0949294 0.1182546 0.1526853 0.0604500 4.8372444 0.0392614 0.0358368 0.2223938 4.8925480 10 Te 5.0949294 0.1182546 -0.1526853 0.0604500 4.8372444 -0.0392614 -0.0358368 -0.2223938 4.8925480 11 Te 5.0949294 -0.1182546 -0.1526853 -0.0604500 4.8372444 0.0392614 -0.0358368 0.2223938 4.8925480 12 Te 5.0949294 -0.1182546 0.1526853 -0.0604500 4.8372444 -0.0392614 0.0358368 -0.2223938 4.8925480 13 O -2.2415146 0.0896083 -0.4737368 0.0690409 -2.5795385 -0.2894842 -0.5262523 -0.2174058 -1.5316289 14 O -2.0436352 -0.6816805 0.3583113 -0.7215598 -1.9271254 0.0215304 0.5195787 0.0654482 -2.4339262 15 O -1.7454683 0.5205115 0.3693116 0.6120165 -1.9005240 0.0342529 0.4103007 0.0248995 -2.2878706 16 O -2.2659141 -0.5425974 0.3702104 -0.5324992 -1.8253457 0.3900089 0.1794965 0.3425822 -2.3029220 17 O -2.4093167 0.5368800 -0.0951622 0.5366840 -2.2209177 0.0923227 -0.1111123 0.2077208 -1.9305265 18 O -2.2518778 -0.1192324 -0.1123497 -0.2215499 -2.1564800 0.2096891 -0.0442315 0.1918809 -2.0278971 19 O -2.2518778 -0.1192324 0.1123497 -0.2215499 -2.1564800 -0.2096891 0.0442315 -0.1918809 -2.0278971 20 O -2.4093167 0.5368800 0.0951622 0.5366840 -2.2209177 -0.0923227 0.1111123 -0.2077208 -1.9305265 21 O -2.2659141 -0.5425974 -0.3702104 -0.5324992 -1.8253457 -0.3900089 -0.1794965 -0.3425822 -2.3029220 22 O -1.7454683 0.5205115 -0.3693116 0.6120165 -1.9005240 -0.0342529 -0.4103007 -0.0248995 -2.2878706 23 O -2.0436352 -0.6816805 -0.3583113 -0.7215598 -1.9271254 -0.0215304 -0.5195787 -0.0654482 -2.4339262 24 O -2.2415146 0.0896083 0.4737368 0.0690409 -2.5795385 0.2894842 0.5262523 0.2174058 -1.5316289 25 O -2.2415146 -0.0896083 0.4737368 -0.0690409 -2.5795385 -0.2894842 0.5262523 -0.2174058 -1.5316289 26 O -2.0436352 0.6816805 -0.3583113 0.7215598 -1.9271254 0.0215304 -0.5195787 0.0654482 -2.4339262 27 O -1.7454683 -0.5205115 -0.3693116 -0.6120165 -1.9005240 0.0342529 -0.4103007 0.0248995 -2.2878706 28 O -2.2659141 0.5425974 -0.3702104 0.5324992 -1.8253457 0.3900089 -0.1794965 0.3425822 -2.3029220 29 O -2.4093167 -0.5368800 0.0951622 -0.5366840 -2.2209177 0.0923227 0.1111123 0.2077208 -1.9305265 30 O -2.2518778 0.1192324 0.1123497 0.2215499 -2.1564800 0.2096891 0.0442315 0.1918809 -2.0278971 31 O -2.2518778 0.1192324 -0.1123497 0.2215499 -2.1564800 -0.2096891 -0.0442315 -0.1918809 -2.0278971 32 O -2.4093167 -0.5368800 -0.0951622 -0.5366840 -2.2209177 -0.0923227 -0.1111123 -0.2077208 -1.9305265 33 O -2.2659141 0.5425974 0.3702104 0.5324992 -1.8253457 -0.3900089 0.1794965 -0.3425822 -2.3029220 34 O -1.7454683 -0.5205115 0.3693116 -0.6120165 -1.9005240 -0.0342529 0.4103007 -0.0248995 -2.2878706 35 O -2.0436352 0.6816805 0.3583113 0.7215598 -1.9271254 -0.0215304 0.5195787 -0.0654482 -2.4339262 36 O -2.2415146 -0.0896083 -0.4737368 -0.0690409 -2.5795385 0.2894842 -0.5262523 0.2174058 -1.5316289 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 280), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 28), data: (1296, 46) @ (46, 28) |-- (296, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 282), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.934 Solver_block: 200 / 1120 - Time: 1.717 Solver_block: 300 / 1120 - Time: 1.719 Solver_block: 400 / 1120 - Time: 1.717 Solver_block: 500 / 1120 - Time: 1.714 Solver_block: 600 / 1120 - Time: 1.714 Solver_block: 700 / 1120 - Time: 1.717 Solver_block: 800 / 1120 - Time: 1.714 Solver_block: 900 / 1120 - Time: 1.716 Solver_block: 1000 / 1120 - Time: 1.712 Solver_block: 1100 / 1120 - Time: 1.710 Solver_block: 1120 / 1120 - Time: 0.548 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.135 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 280), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 28), data: (1296, 46) @ (46, 28) |-- (296, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 282), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:01:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:01:55]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.207729810000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.967873839999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.825202460000000 Atomic positions (fractional): 1 Er 0.01988250262110 0.39681935651715 0.53599959570200 167.259 2 Er 0.04080503287719 0.28239369722798 0.13282624950488 167.259 3 Er 0.45919496712281 0.71760630277202 0.63282624950488 167.259 4 Er 0.48011749737890 0.60318064348286 0.03599959570200 167.259 5 Er 0.51988250262110 0.10318064348285 0.46400040429800 167.259 6 Er 0.54080503287719 0.21760630277202 0.86717375049512 167.259 7 Er 0.95919496712281 0.78239369722798 0.36717375049512 167.259 8 Er 0.98011749737890 0.89681935651714 0.96400040429800 167.259 9 Te 0.03923133731253 0.00542660052311 0.64967023912397 127.600 10 Te 0.46076866268747 0.99457339947689 0.14967023912396 127.600 11 Te 0.53923133731253 0.49457339947689 0.35032976087604 127.600 12 Te 0.96076866268747 0.50542660052311 0.85032976087603 127.600 13 O 0.08625551094189 0.65670483227453 0.97256423570067 15.999 14 O 0.17001919237554 0.55131305578286 0.69705441362597 15.999 15 O 0.18916337184876 0.85688245712389 0.76470414675624 15.999 16 O 0.17517118043459 0.85830634941704 0.17949776792605 15.999 17 O 0.23600156333625 0.38557264129611 0.93123096471063 15.999 18 O 0.25430383200951 0.08769484535687 0.00490122438915 15.999 19 O 0.24569616799049 0.91230515464313 0.50490122438915 15.999 20 O 0.26399843666375 0.61442735870389 0.43123096471063 15.999 21 O 0.32482881956541 0.14169365058295 0.67949776792605 15.999 22 O 0.31083662815124 0.14311754287611 0.26470414675624 15.999 23 O 0.32998080762446 0.44868694421714 0.19705441362597 15.999 24 O 0.41374448905811 0.34329516772547 0.47256423570067 15.999 25 O 0.58625551094189 0.84329516772547 0.02743576429933 15.999 26 O 0.67001919237554 0.94868694421714 0.30294558637403 15.999 27 O 0.68916337184876 0.64311754287611 0.23529585324376 15.999 28 O 0.67517118043459 0.64169365058296 0.82050223207395 15.999 29 O 0.73600156333625 0.11442735870389 0.06876903528937 15.999 30 O 0.75430383200951 0.41230515464313 0.99509877561085 15.999 31 O 0.74569616799049 0.58769484535687 0.49509877561085 15.999 32 O 0.76399843666375 0.88557264129611 0.56876903528937 15.999 33 O 0.82482881956541 0.35830634941704 0.32050223207395 15.999 34 O 0.81083662815124 0.35688245712389 0.73529585324376 15.999 35 O 0.82998080762446 0.05131305578286 0.80294558637403 15.999 36 O 0.91374448905811 0.15670483227453 0.52743576429933 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.415459620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.935747679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.825202460000000 Atomic positions (fractional): 1 Er 0.00994125131055 0.19840967825857 0.53599959570200 167.259 > 1 2 Er 0.50994125131055 0.19840967825857 0.53599959570200 167.259 > 1 3 Er 0.00994125131055 0.69840967825857 0.53599959570200 167.259 > 1 4 Er 0.50994125131055 0.69840967825857 0.53599959570200 167.259 > 1 5 Er 0.02040251643859 0.14119684861399 0.13282624950488 167.259 > 5 6 Er 0.52040251643859 0.14119684861399 0.13282624950488 167.259 > 5 7 Er 0.02040251643859 0.64119684861399 0.13282624950488 167.259 > 5 8 Er 0.52040251643859 0.64119684861399 0.13282624950488 167.259 > 5 9 Er 0.22959748356141 0.35880315138601 0.63282624950488 167.259 > 9 10 Er 0.72959748356141 0.35880315138601 0.63282624950488 167.259 > 9 11 Er 0.22959748356141 0.85880315138601 0.63282624950488 167.259 > 9 12 Er 0.72959748356141 0.85880315138601 0.63282624950488 167.259 > 9 13 Er 0.24005874868945 0.30159032174143 0.03599959570200 167.259 > 13 14 Er 0.74005874868945 0.30159032174143 0.03599959570200 167.259 > 13 15 Er 0.24005874868945 0.80159032174143 0.03599959570200 167.259 > 13 16 Er 0.74005874868945 0.80159032174143 0.03599959570200 167.259 > 13 17 Er 0.25994125131055 0.05159032174143 0.46400040429800 167.259 > 17 18 Er 0.75994125131055 0.05159032174143 0.46400040429800 167.259 > 17 19 Er 0.25994125131055 0.55159032174143 0.46400040429800 167.259 > 17 20 Er 0.75994125131055 0.55159032174143 0.46400040429800 167.259 > 17 21 Er 0.27040251643859 0.10880315138601 0.86717375049512 167.259 > 21 22 Er 0.77040251643859 0.10880315138601 0.86717375049512 167.259 > 21 23 Er 0.27040251643859 0.60880315138601 0.86717375049512 167.259 > 21 24 Er 0.77040251643859 0.60880315138601 0.86717375049512 167.259 > 21 25 Er 0.47959748356141 0.39119684861399 0.36717375049512 167.259 > 25 26 Er 0.97959748356141 0.39119684861399 0.36717375049512 167.259 > 25 27 Er 0.47959748356141 0.89119684861399 0.36717375049512 167.259 > 25 28 Er 0.97959748356141 0.89119684861399 0.36717375049512 167.259 > 25 29 Er 0.49005874868945 0.44840967825857 0.96400040429800 167.259 > 29 30 Er 0.99005874868945 0.44840967825857 0.96400040429800 167.259 > 29 31 Er 0.49005874868945 0.94840967825857 0.96400040429800 167.259 > 29 32 Er 0.99005874868945 0.94840967825857 0.96400040429800 167.259 > 29 33 Te 0.01961566865626 0.00271330026155 0.64967023912397 127.600 > 33 34 Te 0.51961566865626 0.00271330026155 0.64967023912397 127.600 > 33 35 Te 0.01961566865626 0.50271330026155 0.64967023912397 127.600 > 33 36 Te 0.51961566865626 0.50271330026155 0.64967023912397 127.600 > 33 37 Te 0.23038433134374 0.49728669973845 0.14967023912396 127.600 > 37 38 Te 0.73038433134374 0.49728669973845 0.14967023912396 127.600 > 37 39 Te 0.23038433134374 0.99728669973845 0.14967023912396 127.600 > 37 40 Te 0.73038433134374 0.99728669973845 0.14967023912396 127.600 > 37 41 Te 0.26961566865627 0.24728669973845 0.35032976087604 127.600 > 41 42 Te 0.76961566865626 0.24728669973845 0.35032976087604 127.600 > 41 43 Te 0.26961566865627 0.74728669973845 0.35032976087604 127.600 > 41 44 Te 0.76961566865626 0.74728669973845 0.35032976087604 127.600 > 41 45 Te 0.48038433134373 0.25271330026155 0.85032976087603 127.600 > 45 46 Te 0.98038433134374 0.25271330026155 0.85032976087603 127.600 > 45 47 Te 0.48038433134373 0.75271330026155 0.85032976087603 127.600 > 45 48 Te 0.98038433134374 0.75271330026155 0.85032976087603 127.600 > 45 49 O 0.04312775547095 0.32835241613726 0.97256423570067 15.999 > 49 50 O 0.54312775547095 0.32835241613726 0.97256423570067 15.999 > 49 51 O 0.04312775547095 0.82835241613726 0.97256423570067 15.999 > 49 52 O 0.54312775547095 0.82835241613726 0.97256423570067 15.999 > 49 53 O 0.08500959618777 0.27565652789143 0.69705441362597 15.999 > 53 54 O 0.58500959618777 0.27565652789143 0.69705441362597 15.999 > 53 55 O 0.08500959618777 0.77565652789143 0.69705441362597 15.999 > 53 56 O 0.58500959618777 0.77565652789143 0.69705441362597 15.999 > 53 57 O 0.09458168592438 0.42844122856194 0.76470414675624 15.999 > 57 58 O 0.59458168592438 0.42844122856194 0.76470414675624 15.999 > 57 59 O 0.09458168592438 0.92844122856194 0.76470414675624 15.999 > 57 60 O 0.59458168592438 0.92844122856194 0.76470414675624 15.999 > 57 61 O 0.08758559021730 0.42915317470852 0.17949776792605 15.999 > 61 62 O 0.58758559021730 0.42915317470852 0.17949776792605 15.999 > 61 63 O 0.08758559021730 0.92915317470852 0.17949776792605 15.999 > 61 64 O 0.58758559021730 0.92915317470852 0.17949776792605 15.999 > 61 65 O 0.11800078166813 0.19278632064806 0.93123096471063 15.999 > 65 66 O 0.61800078166813 0.19278632064806 0.93123096471063 15.999 > 65 67 O 0.11800078166813 0.69278632064806 0.93123096471063 15.999 > 65 68 O 0.61800078166813 0.69278632064806 0.93123096471063 15.999 > 65 69 O 0.12715191600475 0.04384742267843 0.00490122438915 15.999 > 69 70 O 0.62715191600475 0.04384742267843 0.00490122438915 15.999 > 69 71 O 0.12715191600475 0.54384742267843 0.00490122438915 15.999 > 69 72 O 0.62715191600475 0.54384742267843 0.00490122438915 15.999 > 69 73 O 0.12284808399525 0.45615257732157 0.50490122438915 15.999 > 73 74 O 0.62284808399525 0.45615257732157 0.50490122438915 15.999 > 73 75 O 0.12284808399525 0.95615257732157 0.50490122438915 15.999 > 73 76 O 0.62284808399525 0.95615257732157 0.50490122438915 15.999 > 73 77 O 0.13199921833187 0.30721367935194 0.43123096471063 15.999 > 77 78 O 0.63199921833187 0.30721367935194 0.43123096471063 15.999 > 77 79 O 0.13199921833187 0.80721367935194 0.43123096471063 15.999 > 77 80 O 0.63199921833187 0.80721367935194 0.43123096471063 15.999 > 77 81 O 0.16241440978270 0.07084682529148 0.67949776792605 15.999 > 81 82 O 0.66241440978270 0.07084682529148 0.67949776792605 15.999 > 81 83 O 0.16241440978270 0.57084682529148 0.67949776792605 15.999 > 81 84 O 0.66241440978270 0.57084682529148 0.67949776792605 15.999 > 81 85 O 0.15541831407562 0.07155877143806 0.26470414675624 15.999 > 85 86 O 0.65541831407562 0.07155877143806 0.26470414675624 15.999 > 85 87 O 0.15541831407562 0.57155877143806 0.26470414675624 15.999 > 85 88 O 0.65541831407562 0.57155877143806 0.26470414675624 15.999 > 85 89 O 0.16499040381223 0.22434347210857 0.19705441362597 15.999 > 89 90 O 0.66499040381223 0.22434347210857 0.19705441362597 15.999 > 89 91 O 0.16499040381223 0.72434347210857 0.19705441362597 15.999 > 89 92 O 0.66499040381223 0.72434347210857 0.19705441362597 15.999 > 89 93 O 0.20687224452906 0.17164758386274 0.47256423570067 15.999 > 93 94 O 0.70687224452905 0.17164758386274 0.47256423570067 15.999 > 93 95 O 0.20687224452906 0.67164758386274 0.47256423570067 15.999 > 93 96 O 0.70687224452905 0.67164758386274 0.47256423570067 15.999 > 93 97 O 0.29312775547094 0.42164758386274 0.02743576429933 15.999 > 97 98 O 0.79312775547095 0.42164758386274 0.02743576429933 15.999 > 97 99 O 0.29312775547094 0.92164758386274 0.02743576429933 15.999 > 97 100 O 0.79312775547095 0.92164758386274 0.02743576429933 15.999 > 97 101 O 0.33500959618777 0.47434347210857 0.30294558637403 15.999 > 101 102 O 0.83500959618777 0.47434347210857 0.30294558637403 15.999 > 101 103 O 0.33500959618777 0.97434347210857 0.30294558637403 15.999 > 101 104 O 0.83500959618777 0.97434347210857 0.30294558637403 15.999 > 101 105 O 0.34458168592438 0.32155877143806 0.23529585324376 15.999 > 105 106 O 0.84458168592438 0.32155877143806 0.23529585324376 15.999 > 105 107 O 0.34458168592438 0.82155877143806 0.23529585324376 15.999 > 105 108 O 0.84458168592438 0.82155877143806 0.23529585324376 15.999 > 105 109 O 0.33758559021730 0.32084682529148 0.82050223207395 15.999 > 109 110 O 0.83758559021730 0.32084682529148 0.82050223207395 15.999 > 109 111 O 0.33758559021730 0.82084682529148 0.82050223207395 15.999 > 109 112 O 0.83758559021730 0.82084682529148 0.82050223207395 15.999 > 109 113 O 0.36800078166813 0.05721367935194 0.06876903528937 15.999 > 113 114 O 0.86800078166813 0.05721367935194 0.06876903528937 15.999 > 113 115 O 0.36800078166813 0.55721367935194 0.06876903528937 15.999 > 113 116 O 0.86800078166813 0.55721367935194 0.06876903528937 15.999 > 113 117 O 0.37715191600475 0.20615257732157 0.99509877561085 15.999 > 117 118 O 0.87715191600475 0.20615257732157 0.99509877561085 15.999 > 117 119 O 0.37715191600475 0.70615257732157 0.99509877561085 15.999 > 117 120 O 0.87715191600475 0.70615257732157 0.99509877561085 15.999 > 117 121 O 0.37284808399525 0.29384742267843 0.49509877561085 15.999 > 121 122 O 0.87284808399525 0.29384742267843 0.49509877561085 15.999 > 121 123 O 0.37284808399525 0.79384742267843 0.49509877561085 15.999 > 121 124 O 0.87284808399525 0.79384742267843 0.49509877561085 15.999 > 121 125 O 0.38199921833187 0.44278632064806 0.56876903528937 15.999 > 125 126 O 0.88199921833187 0.44278632064806 0.56876903528937 15.999 > 125 127 O 0.38199921833187 0.94278632064806 0.56876903528937 15.999 > 125 128 O 0.88199921833187 0.94278632064806 0.56876903528937 15.999 > 125 129 O 0.41241440978270 0.17915317470852 0.32050223207395 15.999 > 129 130 O 0.91241440978270 0.17915317470852 0.32050223207395 15.999 > 129 131 O 0.41241440978270 0.67915317470852 0.32050223207395 15.999 > 129 132 O 0.91241440978270 0.67915317470852 0.32050223207395 15.999 > 129 133 O 0.40541831407562 0.17844122856194 0.73529585324376 15.999 > 133 134 O 0.90541831407562 0.17844122856194 0.73529585324376 15.999 > 133 135 O 0.40541831407562 0.67844122856194 0.73529585324376 15.999 > 133 136 O 0.90541831407562 0.67844122856194 0.73529585324376 15.999 > 133 137 O 0.41499040381223 0.02565652789143 0.80294558637403 15.999 > 137 138 O 0.91499040381223 0.02565652789143 0.80294558637403 15.999 > 137 139 O 0.41499040381223 0.52565652789143 0.80294558637403 15.999 > 137 140 O 0.91499040381223 0.52565652789143 0.80294558637403 15.999 > 137 141 O 0.45687224452906 0.07835241613726 0.52743576429933 15.999 > 141 142 O 0.95687224452905 0.07835241613726 0.52743576429933 15.999 > 141 143 O 0.45687224452906 0.57835241613726 0.52743576429933 15.999 > 141 144 O 0.95687224452905 0.57835241613726 0.52743576429933 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0754215 0.0000000 0.0000000 0.0000000 4.0504489 0.0000000 0.0000000 0.0000000 4.1088031 -------------------------- Born effective charges -------------------------- 1 Er 3.6237157 -0.0578058 -0.0442051 0.0411698 3.7498913 0.1424010 -0.2321999 0.0191323 3.7983885 2 Er 4.2390815 0.1002852 0.1188411 -0.0679236 4.0227955 0.1602426 0.3120816 0.2351614 3.8238349 3 Er 4.2390815 0.1002852 -0.1188411 -0.0679236 4.0227955 -0.1602426 -0.3120816 -0.2351614 3.8238349 4 Er 3.6237157 -0.0578058 0.0442051 0.0411698 3.7498913 -0.1424010 0.2321999 -0.0191323 3.7983885 5 Er 3.6237157 0.0578058 0.0442051 -0.0411698 3.7498913 0.1424010 0.2321999 0.0191323 3.7983885 6 Er 4.2390815 -0.1002852 -0.1188411 0.0679236 4.0227955 0.1602426 -0.3120816 0.2351614 3.8238349 7 Er 4.2390815 -0.1002852 0.1188411 0.0679236 4.0227955 -0.1602426 0.3120816 -0.2351614 3.8238349 8 Er 3.6237157 0.0578058 -0.0442051 -0.0411698 3.7498913 -0.1424010 -0.2321999 -0.0191323 3.7983885 9 Te 5.0949294 0.1182546 0.1526853 0.0604500 4.8372444 0.0392614 0.0358368 0.2223938 4.8925480 10 Te 5.0949294 0.1182546 -0.1526853 0.0604500 4.8372444 -0.0392614 -0.0358368 -0.2223938 4.8925480 11 Te 5.0949294 -0.1182546 -0.1526853 -0.0604500 4.8372444 0.0392614 -0.0358368 0.2223938 4.8925480 12 Te 5.0949294 -0.1182546 0.1526853 -0.0604500 4.8372444 -0.0392614 0.0358368 -0.2223938 4.8925480 13 O -2.2415146 0.0896083 -0.4737368 0.0690409 -2.5795385 -0.2894842 -0.5262523 -0.2174058 -1.5316289 14 O -2.0436352 -0.6816805 0.3583113 -0.7215598 -1.9271254 0.0215304 0.5195787 0.0654482 -2.4339262 15 O -1.7454683 0.5205115 0.3693116 0.6120165 -1.9005240 0.0342529 0.4103007 0.0248995 -2.2878706 16 O -2.2659141 -0.5425974 0.3702104 -0.5324992 -1.8253457 0.3900089 0.1794965 0.3425822 -2.3029220 17 O -2.4093167 0.5368800 -0.0951622 0.5366840 -2.2209177 0.0923227 -0.1111123 0.2077208 -1.9305265 18 O -2.2518778 -0.1192324 -0.1123497 -0.2215499 -2.1564800 0.2096891 -0.0442315 0.1918809 -2.0278971 19 O -2.2518778 -0.1192324 0.1123497 -0.2215499 -2.1564800 -0.2096891 0.0442315 -0.1918809 -2.0278971 20 O -2.4093167 0.5368800 0.0951622 0.5366840 -2.2209177 -0.0923227 0.1111123 -0.2077208 -1.9305265 21 O -2.2659141 -0.5425974 -0.3702104 -0.5324992 -1.8253457 -0.3900089 -0.1794965 -0.3425822 -2.3029220 22 O -1.7454683 0.5205115 -0.3693116 0.6120165 -1.9005240 -0.0342529 -0.4103007 -0.0248995 -2.2878706 23 O -2.0436352 -0.6816805 -0.3583113 -0.7215598 -1.9271254 -0.0215304 -0.5195787 -0.0654482 -2.4339262 24 O -2.2415146 0.0896083 0.4737368 0.0690409 -2.5795385 0.2894842 0.5262523 0.2174058 -1.5316289 25 O -2.2415146 -0.0896083 0.4737368 -0.0690409 -2.5795385 -0.2894842 0.5262523 -0.2174058 -1.5316289 26 O -2.0436352 0.6816805 -0.3583113 0.7215598 -1.9271254 0.0215304 -0.5195787 0.0654482 -2.4339262 27 O -1.7454683 -0.5205115 -0.3693116 -0.6120165 -1.9005240 0.0342529 -0.4103007 0.0248995 -2.2878706 28 O -2.2659141 0.5425974 -0.3702104 0.5324992 -1.8253457 0.3900089 -0.1794965 0.3425822 -2.3029220 29 O -2.4093167 -0.5368800 0.0951622 -0.5366840 -2.2209177 0.0923227 0.1111123 0.2077208 -1.9305265 30 O -2.2518778 0.1192324 0.1123497 0.2215499 -2.1564800 0.2096891 0.0442315 0.1918809 -2.0278971 31 O -2.2518778 0.1192324 -0.1123497 0.2215499 -2.1564800 -0.2096891 -0.0442315 -0.1918809 -2.0278971 32 O -2.4093167 -0.5368800 -0.0951622 -0.5366840 -2.2209177 -0.0923227 -0.1111123 -0.2077208 -1.9305265 33 O -2.2659141 0.5425974 0.3702104 0.5324992 -1.8253457 -0.3900089 0.1794965 -0.3425822 -2.3029220 34 O -1.7454683 -0.5205115 0.3693116 -0.6120165 -1.9005240 -0.0342529 0.4103007 -0.0248995 -2.2878706 35 O -2.0436352 0.6816805 0.3583113 0.7215598 -1.9271254 -0.0215304 0.5195787 -0.0654482 -2.4339262 36 O -2.2415146 -0.0896083 -0.4737368 -0.0690409 -2.5795385 0.2894842 -0.5262523 0.2174058 -1.5316289 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xy) 0.00000002 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:02:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:02:59]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.207729810000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.967873839999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.825202460000000 Atomic positions (fractional): 1 Er 0.01988250262110 0.39681935651715 0.53599959570200 167.259 2 Er 0.04080503287719 0.28239369722798 0.13282624950488 167.259 3 Er 0.45919496712281 0.71760630277202 0.63282624950488 167.259 4 Er 0.48011749737890 0.60318064348286 0.03599959570200 167.259 5 Er 0.51988250262110 0.10318064348285 0.46400040429800 167.259 6 Er 0.54080503287719 0.21760630277202 0.86717375049512 167.259 7 Er 0.95919496712281 0.78239369722798 0.36717375049512 167.259 8 Er 0.98011749737890 0.89681935651714 0.96400040429800 167.259 9 Te 0.03923133731253 0.00542660052311 0.64967023912397 127.600 10 Te 0.46076866268747 0.99457339947689 0.14967023912396 127.600 11 Te 0.53923133731253 0.49457339947689 0.35032976087604 127.600 12 Te 0.96076866268747 0.50542660052311 0.85032976087603 127.600 13 O 0.08625551094189 0.65670483227453 0.97256423570067 15.999 14 O 0.17001919237554 0.55131305578286 0.69705441362597 15.999 15 O 0.18916337184876 0.85688245712389 0.76470414675624 15.999 16 O 0.17517118043459 0.85830634941704 0.17949776792605 15.999 17 O 0.23600156333625 0.38557264129611 0.93123096471063 15.999 18 O 0.25430383200951 0.08769484535687 0.00490122438915 15.999 19 O 0.24569616799049 0.91230515464313 0.50490122438915 15.999 20 O 0.26399843666375 0.61442735870389 0.43123096471063 15.999 21 O 0.32482881956541 0.14169365058295 0.67949776792605 15.999 22 O 0.31083662815124 0.14311754287611 0.26470414675624 15.999 23 O 0.32998080762446 0.44868694421714 0.19705441362597 15.999 24 O 0.41374448905811 0.34329516772547 0.47256423570067 15.999 25 O 0.58625551094189 0.84329516772547 0.02743576429933 15.999 26 O 0.67001919237554 0.94868694421714 0.30294558637403 15.999 27 O 0.68916337184876 0.64311754287611 0.23529585324376 15.999 28 O 0.67517118043459 0.64169365058296 0.82050223207395 15.999 29 O 0.73600156333625 0.11442735870389 0.06876903528937 15.999 30 O 0.75430383200951 0.41230515464313 0.99509877561085 15.999 31 O 0.74569616799049 0.58769484535687 0.49509877561085 15.999 32 O 0.76399843666375 0.88557264129611 0.56876903528937 15.999 33 O 0.82482881956541 0.35830634941704 0.32050223207395 15.999 34 O 0.81083662815124 0.35688245712389 0.73529585324376 15.999 35 O 0.82998080762446 0.05131305578286 0.80294558637403 15.999 36 O 0.91374448905811 0.15670483227453 0.52743576429933 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.415459620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.935747679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.825202460000000 Atomic positions (fractional): 1 Er 0.00994125131055 0.19840967825857 0.53599959570200 167.259 > 1 2 Er 0.50994125131055 0.19840967825857 0.53599959570200 167.259 > 1 3 Er 0.00994125131055 0.69840967825857 0.53599959570200 167.259 > 1 4 Er 0.50994125131055 0.69840967825857 0.53599959570200 167.259 > 1 5 Er 0.02040251643859 0.14119684861399 0.13282624950488 167.259 > 5 6 Er 0.52040251643859 0.14119684861399 0.13282624950488 167.259 > 5 7 Er 0.02040251643859 0.64119684861399 0.13282624950488 167.259 > 5 8 Er 0.52040251643859 0.64119684861399 0.13282624950488 167.259 > 5 9 Er 0.22959748356141 0.35880315138601 0.63282624950488 167.259 > 9 10 Er 0.72959748356141 0.35880315138601 0.63282624950488 167.259 > 9 11 Er 0.22959748356141 0.85880315138601 0.63282624950488 167.259 > 9 12 Er 0.72959748356141 0.85880315138601 0.63282624950488 167.259 > 9 13 Er 0.24005874868945 0.30159032174143 0.03599959570200 167.259 > 13 14 Er 0.74005874868945 0.30159032174143 0.03599959570200 167.259 > 13 15 Er 0.24005874868945 0.80159032174143 0.03599959570200 167.259 > 13 16 Er 0.74005874868945 0.80159032174143 0.03599959570200 167.259 > 13 17 Er 0.25994125131055 0.05159032174143 0.46400040429800 167.259 > 17 18 Er 0.75994125131055 0.05159032174143 0.46400040429800 167.259 > 17 19 Er 0.25994125131055 0.55159032174143 0.46400040429800 167.259 > 17 20 Er 0.75994125131055 0.55159032174143 0.46400040429800 167.259 > 17 21 Er 0.27040251643859 0.10880315138601 0.86717375049512 167.259 > 21 22 Er 0.77040251643859 0.10880315138601 0.86717375049512 167.259 > 21 23 Er 0.27040251643859 0.60880315138601 0.86717375049512 167.259 > 21 24 Er 0.77040251643859 0.60880315138601 0.86717375049512 167.259 > 21 25 Er 0.47959748356141 0.39119684861399 0.36717375049512 167.259 > 25 26 Er 0.97959748356141 0.39119684861399 0.36717375049512 167.259 > 25 27 Er 0.47959748356141 0.89119684861399 0.36717375049512 167.259 > 25 28 Er 0.97959748356141 0.89119684861399 0.36717375049512 167.259 > 25 29 Er 0.49005874868945 0.44840967825857 0.96400040429800 167.259 > 29 30 Er 0.99005874868945 0.44840967825857 0.96400040429800 167.259 > 29 31 Er 0.49005874868945 0.94840967825857 0.96400040429800 167.259 > 29 32 Er 0.99005874868945 0.94840967825857 0.96400040429800 167.259 > 29 33 Te 0.01961566865626 0.00271330026155 0.64967023912397 127.600 > 33 34 Te 0.51961566865626 0.00271330026155 0.64967023912397 127.600 > 33 35 Te 0.01961566865626 0.50271330026155 0.64967023912397 127.600 > 33 36 Te 0.51961566865626 0.50271330026155 0.64967023912397 127.600 > 33 37 Te 0.23038433134374 0.49728669973845 0.14967023912396 127.600 > 37 38 Te 0.73038433134374 0.49728669973845 0.14967023912396 127.600 > 37 39 Te 0.23038433134374 0.99728669973845 0.14967023912396 127.600 > 37 40 Te 0.73038433134374 0.99728669973845 0.14967023912396 127.600 > 37 41 Te 0.26961566865627 0.24728669973845 0.35032976087604 127.600 > 41 42 Te 0.76961566865626 0.24728669973845 0.35032976087604 127.600 > 41 43 Te 0.26961566865627 0.74728669973845 0.35032976087604 127.600 > 41 44 Te 0.76961566865626 0.74728669973845 0.35032976087604 127.600 > 41 45 Te 0.48038433134373 0.25271330026155 0.85032976087603 127.600 > 45 46 Te 0.98038433134374 0.25271330026155 0.85032976087603 127.600 > 45 47 Te 0.48038433134373 0.75271330026155 0.85032976087603 127.600 > 45 48 Te 0.98038433134374 0.75271330026155 0.85032976087603 127.600 > 45 49 O 0.04312775547095 0.32835241613726 0.97256423570067 15.999 > 49 50 O 0.54312775547095 0.32835241613726 0.97256423570067 15.999 > 49 51 O 0.04312775547095 0.82835241613726 0.97256423570067 15.999 > 49 52 O 0.54312775547095 0.82835241613726 0.97256423570067 15.999 > 49 53 O 0.08500959618777 0.27565652789143 0.69705441362597 15.999 > 53 54 O 0.58500959618777 0.27565652789143 0.69705441362597 15.999 > 53 55 O 0.08500959618777 0.77565652789143 0.69705441362597 15.999 > 53 56 O 0.58500959618777 0.77565652789143 0.69705441362597 15.999 > 53 57 O 0.09458168592438 0.42844122856194 0.76470414675624 15.999 > 57 58 O 0.59458168592438 0.42844122856194 0.76470414675624 15.999 > 57 59 O 0.09458168592438 0.92844122856194 0.76470414675624 15.999 > 57 60 O 0.59458168592438 0.92844122856194 0.76470414675624 15.999 > 57 61 O 0.08758559021730 0.42915317470852 0.17949776792605 15.999 > 61 62 O 0.58758559021730 0.42915317470852 0.17949776792605 15.999 > 61 63 O 0.08758559021730 0.92915317470852 0.17949776792605 15.999 > 61 64 O 0.58758559021730 0.92915317470852 0.17949776792605 15.999 > 61 65 O 0.11800078166813 0.19278632064806 0.93123096471063 15.999 > 65 66 O 0.61800078166813 0.19278632064806 0.93123096471063 15.999 > 65 67 O 0.11800078166813 0.69278632064806 0.93123096471063 15.999 > 65 68 O 0.61800078166813 0.69278632064806 0.93123096471063 15.999 > 65 69 O 0.12715191600475 0.04384742267843 0.00490122438915 15.999 > 69 70 O 0.62715191600475 0.04384742267843 0.00490122438915 15.999 > 69 71 O 0.12715191600475 0.54384742267843 0.00490122438915 15.999 > 69 72 O 0.62715191600475 0.54384742267843 0.00490122438915 15.999 > 69 73 O 0.12284808399525 0.45615257732157 0.50490122438915 15.999 > 73 74 O 0.62284808399525 0.45615257732157 0.50490122438915 15.999 > 73 75 O 0.12284808399525 0.95615257732157 0.50490122438915 15.999 > 73 76 O 0.62284808399525 0.95615257732157 0.50490122438915 15.999 > 73 77 O 0.13199921833187 0.30721367935194 0.43123096471063 15.999 > 77 78 O 0.63199921833187 0.30721367935194 0.43123096471063 15.999 > 77 79 O 0.13199921833187 0.80721367935194 0.43123096471063 15.999 > 77 80 O 0.63199921833187 0.80721367935194 0.43123096471063 15.999 > 77 81 O 0.16241440978270 0.07084682529148 0.67949776792605 15.999 > 81 82 O 0.66241440978270 0.07084682529148 0.67949776792605 15.999 > 81 83 O 0.16241440978270 0.57084682529148 0.67949776792605 15.999 > 81 84 O 0.66241440978270 0.57084682529148 0.67949776792605 15.999 > 81 85 O 0.15541831407562 0.07155877143806 0.26470414675624 15.999 > 85 86 O 0.65541831407562 0.07155877143806 0.26470414675624 15.999 > 85 87 O 0.15541831407562 0.57155877143806 0.26470414675624 15.999 > 85 88 O 0.65541831407562 0.57155877143806 0.26470414675624 15.999 > 85 89 O 0.16499040381223 0.22434347210857 0.19705441362597 15.999 > 89 90 O 0.66499040381223 0.22434347210857 0.19705441362597 15.999 > 89 91 O 0.16499040381223 0.72434347210857 0.19705441362597 15.999 > 89 92 O 0.66499040381223 0.72434347210857 0.19705441362597 15.999 > 89 93 O 0.20687224452906 0.17164758386274 0.47256423570067 15.999 > 93 94 O 0.70687224452905 0.17164758386274 0.47256423570067 15.999 > 93 95 O 0.20687224452906 0.67164758386274 0.47256423570067 15.999 > 93 96 O 0.70687224452905 0.67164758386274 0.47256423570067 15.999 > 93 97 O 0.29312775547094 0.42164758386274 0.02743576429933 15.999 > 97 98 O 0.79312775547095 0.42164758386274 0.02743576429933 15.999 > 97 99 O 0.29312775547094 0.92164758386274 0.02743576429933 15.999 > 97 100 O 0.79312775547095 0.92164758386274 0.02743576429933 15.999 > 97 101 O 0.33500959618777 0.47434347210857 0.30294558637403 15.999 > 101 102 O 0.83500959618777 0.47434347210857 0.30294558637403 15.999 > 101 103 O 0.33500959618777 0.97434347210857 0.30294558637403 15.999 > 101 104 O 0.83500959618777 0.97434347210857 0.30294558637403 15.999 > 101 105 O 0.34458168592438 0.32155877143806 0.23529585324376 15.999 > 105 106 O 0.84458168592438 0.32155877143806 0.23529585324376 15.999 > 105 107 O 0.34458168592438 0.82155877143806 0.23529585324376 15.999 > 105 108 O 0.84458168592438 0.82155877143806 0.23529585324376 15.999 > 105 109 O 0.33758559021730 0.32084682529148 0.82050223207395 15.999 > 109 110 O 0.83758559021730 0.32084682529148 0.82050223207395 15.999 > 109 111 O 0.33758559021730 0.82084682529148 0.82050223207395 15.999 > 109 112 O 0.83758559021730 0.82084682529148 0.82050223207395 15.999 > 109 113 O 0.36800078166813 0.05721367935194 0.06876903528937 15.999 > 113 114 O 0.86800078166813 0.05721367935194 0.06876903528937 15.999 > 113 115 O 0.36800078166813 0.55721367935194 0.06876903528937 15.999 > 113 116 O 0.86800078166813 0.55721367935194 0.06876903528937 15.999 > 113 117 O 0.37715191600475 0.20615257732157 0.99509877561085 15.999 > 117 118 O 0.87715191600475 0.20615257732157 0.99509877561085 15.999 > 117 119 O 0.37715191600475 0.70615257732157 0.99509877561085 15.999 > 117 120 O 0.87715191600475 0.70615257732157 0.99509877561085 15.999 > 117 121 O 0.37284808399525 0.29384742267843 0.49509877561085 15.999 > 121 122 O 0.87284808399525 0.29384742267843 0.49509877561085 15.999 > 121 123 O 0.37284808399525 0.79384742267843 0.49509877561085 15.999 > 121 124 O 0.87284808399525 0.79384742267843 0.49509877561085 15.999 > 121 125 O 0.38199921833187 0.44278632064806 0.56876903528937 15.999 > 125 126 O 0.88199921833187 0.44278632064806 0.56876903528937 15.999 > 125 127 O 0.38199921833187 0.94278632064806 0.56876903528937 15.999 > 125 128 O 0.88199921833187 0.94278632064806 0.56876903528937 15.999 > 125 129 O 0.41241440978270 0.17915317470852 0.32050223207395 15.999 > 129 130 O 0.91241440978270 0.17915317470852 0.32050223207395 15.999 > 129 131 O 0.41241440978270 0.67915317470852 0.32050223207395 15.999 > 129 132 O 0.91241440978270 0.67915317470852 0.32050223207395 15.999 > 129 133 O 0.40541831407562 0.17844122856194 0.73529585324376 15.999 > 133 134 O 0.90541831407562 0.17844122856194 0.73529585324376 15.999 > 133 135 O 0.40541831407562 0.67844122856194 0.73529585324376 15.999 > 133 136 O 0.90541831407562 0.67844122856194 0.73529585324376 15.999 > 133 137 O 0.41499040381223 0.02565652789143 0.80294558637403 15.999 > 137 138 O 0.91499040381223 0.02565652789143 0.80294558637403 15.999 > 137 139 O 0.41499040381223 0.52565652789143 0.80294558637403 15.999 > 137 140 O 0.91499040381223 0.52565652789143 0.80294558637403 15.999 > 137 141 O 0.45687224452906 0.07835241613726 0.52743576429933 15.999 > 141 142 O 0.95687224452905 0.07835241613726 0.52743576429933 15.999 > 141 143 O 0.45687224452906 0.57835241613726 0.52743576429933 15.999 > 141 144 O 0.95687224452905 0.57835241613726 0.52743576429933 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0754215 0.0000000 0.0000000 0.0000000 4.0504489 0.0000000 0.0000000 0.0000000 4.1088031 -------------------------- Born effective charges -------------------------- 1 Er 3.6237157 -0.0578058 -0.0442051 0.0411698 3.7498913 0.1424010 -0.2321999 0.0191323 3.7983885 2 Er 4.2390815 0.1002852 0.1188411 -0.0679236 4.0227955 0.1602426 0.3120816 0.2351614 3.8238349 3 Er 4.2390815 0.1002852 -0.1188411 -0.0679236 4.0227955 -0.1602426 -0.3120816 -0.2351614 3.8238349 4 Er 3.6237157 -0.0578058 0.0442051 0.0411698 3.7498913 -0.1424010 0.2321999 -0.0191323 3.7983885 5 Er 3.6237157 0.0578058 0.0442051 -0.0411698 3.7498913 0.1424010 0.2321999 0.0191323 3.7983885 6 Er 4.2390815 -0.1002852 -0.1188411 0.0679236 4.0227955 0.1602426 -0.3120816 0.2351614 3.8238349 7 Er 4.2390815 -0.1002852 0.1188411 0.0679236 4.0227955 -0.1602426 0.3120816 -0.2351614 3.8238349 8 Er 3.6237157 0.0578058 -0.0442051 -0.0411698 3.7498913 -0.1424010 -0.2321999 -0.0191323 3.7983885 9 Te 5.0949294 0.1182546 0.1526853 0.0604500 4.8372444 0.0392614 0.0358368 0.2223938 4.8925480 10 Te 5.0949294 0.1182546 -0.1526853 0.0604500 4.8372444 -0.0392614 -0.0358368 -0.2223938 4.8925480 11 Te 5.0949294 -0.1182546 -0.1526853 -0.0604500 4.8372444 0.0392614 -0.0358368 0.2223938 4.8925480 12 Te 5.0949294 -0.1182546 0.1526853 -0.0604500 4.8372444 -0.0392614 0.0358368 -0.2223938 4.8925480 13 O -2.2415146 0.0896083 -0.4737368 0.0690409 -2.5795385 -0.2894842 -0.5262523 -0.2174058 -1.5316289 14 O -2.0436352 -0.6816805 0.3583113 -0.7215598 -1.9271254 0.0215304 0.5195787 0.0654482 -2.4339262 15 O -1.7454683 0.5205115 0.3693116 0.6120165 -1.9005240 0.0342529 0.4103007 0.0248995 -2.2878706 16 O -2.2659141 -0.5425974 0.3702104 -0.5324992 -1.8253457 0.3900089 0.1794965 0.3425822 -2.3029220 17 O -2.4093167 0.5368800 -0.0951622 0.5366840 -2.2209177 0.0923227 -0.1111123 0.2077208 -1.9305265 18 O -2.2518778 -0.1192324 -0.1123497 -0.2215499 -2.1564800 0.2096891 -0.0442315 0.1918809 -2.0278971 19 O -2.2518778 -0.1192324 0.1123497 -0.2215499 -2.1564800 -0.2096891 0.0442315 -0.1918809 -2.0278971 20 O -2.4093167 0.5368800 0.0951622 0.5366840 -2.2209177 -0.0923227 0.1111123 -0.2077208 -1.9305265 21 O -2.2659141 -0.5425974 -0.3702104 -0.5324992 -1.8253457 -0.3900089 -0.1794965 -0.3425822 -2.3029220 22 O -1.7454683 0.5205115 -0.3693116 0.6120165 -1.9005240 -0.0342529 -0.4103007 -0.0248995 -2.2878706 23 O -2.0436352 -0.6816805 -0.3583113 -0.7215598 -1.9271254 -0.0215304 -0.5195787 -0.0654482 -2.4339262 24 O -2.2415146 0.0896083 0.4737368 0.0690409 -2.5795385 0.2894842 0.5262523 0.2174058 -1.5316289 25 O -2.2415146 -0.0896083 0.4737368 -0.0690409 -2.5795385 -0.2894842 0.5262523 -0.2174058 -1.5316289 26 O -2.0436352 0.6816805 -0.3583113 0.7215598 -1.9271254 0.0215304 -0.5195787 0.0654482 -2.4339262 27 O -1.7454683 -0.5205115 -0.3693116 -0.6120165 -1.9005240 0.0342529 -0.4103007 0.0248995 -2.2878706 28 O -2.2659141 0.5425974 -0.3702104 0.5324992 -1.8253457 0.3900089 -0.1794965 0.3425822 -2.3029220 29 O -2.4093167 -0.5368800 0.0951622 -0.5366840 -2.2209177 0.0923227 0.1111123 0.2077208 -1.9305265 30 O -2.2518778 0.1192324 0.1123497 0.2215499 -2.1564800 0.2096891 0.0442315 0.1918809 -2.0278971 31 O -2.2518778 0.1192324 -0.1123497 0.2215499 -2.1564800 -0.2096891 -0.0442315 -0.1918809 -2.0278971 32 O -2.4093167 -0.5368800 -0.0951622 -0.5366840 -2.2209177 -0.0923227 -0.1111123 -0.2077208 -1.9305265 33 O -2.2659141 0.5425974 0.3702104 0.5324992 -1.8253457 -0.3900089 0.1794965 -0.3425822 -2.3029220 34 O -1.7454683 -0.5205115 0.3693116 -0.6120165 -1.9005240 -0.0342529 0.4103007 -0.0248995 -2.2878706 35 O -2.0436352 0.6816805 0.3583113 0.7215598 -1.9271254 -0.0215304 0.5195787 -0.0654482 -2.4339262 36 O -2.2415146 -0.0896083 -0.4737368 -0.0690409 -2.5795385 0.2894842 -0.5262523 0.2174058 -1.5316289 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 10 6 5 ] 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: 0.54, Number of G-points: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 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 2.209 ( 0.000 0.000 0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.479 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 3.536 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.974 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.558 ( 0.000 0.000 0.000) 0.000 4.610 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 4.974 ( 0.000 0.000 0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 5.309 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.577 ( 0.000 0.000 0.000) 0.000 5.608 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 0.000) 0.000 5.945 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.374 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 7.311 ( 0.000 0.000 0.000) 0.000 7.483 ( 0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 7.870 ( 0.000 0.000 0.000) 0.000 7.877 ( 0.000 0.000 0.000) 0.000 8.064 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.347 ( 0.000 0.000 0.000) 0.000 8.822 ( 0.000 0.000 0.000) 0.000 8.844 ( 0.000 0.000 0.000) 0.000 9.119 ( 0.000 0.000 0.000) 0.000 9.183 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 9.656 ( 0.000 0.000 0.000) 0.000 9.779 ( 0.000 0.000 0.000) 0.000 10.098 ( 0.000 0.000 0.000) 0.000 10.156 ( 0.000 0.000 0.000) 0.000 10.190 ( 0.000 0.000 0.000) 0.000 10.324 ( 0.000 0.000 0.000) 0.000 10.559 ( 0.000 0.000 0.000) 0.000 10.793 ( 0.000 0.000 0.000) 0.000 11.290 ( 0.000 0.000 0.000) 0.000 11.495 ( 0.000 0.000 0.000) 0.000 12.103 ( 0.000 0.000 0.000) 0.000 12.365 ( 0.000 0.000 0.000) 0.000 12.693 ( 0.000 0.000 0.000) 0.000 12.726 ( 0.000 0.000 0.000) 0.000 12.836 ( 0.000 0.000 0.000) 0.000 13.498 ( 0.000 0.000 0.000) 0.000 13.661 ( 0.000 0.000 0.000) 0.000 13.939 ( 0.000 0.000 0.000) 0.000 14.069 ( 0.000 0.000 0.000) 0.000 14.467 ( 0.000 0.000 0.000) 0.000 14.627 ( 0.000 0.000 0.000) 0.000 14.987 ( 0.000 0.000 0.000) 0.000 15.069 ( 0.000 0.000 0.000) 0.000 15.277 ( 0.000 0.000 0.000) 0.000 15.342 ( 0.000 0.000 0.000) 0.000 15.812 ( 0.000 0.000 0.000) 0.000 16.083 ( 0.000 0.000 0.000) 0.000 16.404 ( 0.000 0.000 0.000) 0.000 16.761 ( 0.000 0.000 0.000) 0.000 16.874 ( 0.000 0.000 0.000) 0.000 17.052 ( 0.000 0.000 0.000) 0.000 17.214 ( 0.000 0.000 0.000) 0.000 17.655 ( 0.000 0.000 0.000) 0.000 17.849 ( 0.000 0.000 0.000) 0.000 17.922 ( 0.000 0.000 0.000) 0.000 18.451 ( 0.000 0.000 0.000) 0.000 18.501 ( 0.000 0.000 0.000) 0.000 18.603 ( 0.000 0.000 0.000) 0.000 19.005 ( 0.000 0.000 0.000) 0.000 19.162 ( 0.000 0.000 0.000) 0.000 19.201 ( 0.000 0.000 0.000) 0.000 19.207 ( 0.000 0.000 0.000) 0.000 19.579 ( 0.000 0.000 0.000) 0.000 19.624 ( 0.000 0.000 0.000) 0.000 20.074 ( 0.000 0.000 0.000) 0.000 20.436 ( 0.000 0.000 0.000) 0.000 20.477 ( 0.000 0.000 0.000) 0.000 20.767 ( 0.000 0.000 0.000) 0.000 21.034 ( 0.000 0.000 0.000) 0.000 21.336 ( 0.000 0.000 0.000) 0.000 21.612 ( 0.000 0.000 0.000) 0.000 21.876 ( 0.000 0.000 0.000) 0.000 21.993 ( 0.000 0.000 0.000) 0.000 22.609 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 29.888 0.000 0.000) 29.888 0.598 ( 29.102 0.000 0.000) 29.102 1.069 ( 54.368 0.000 0.000) 54.368 2.265 ( 0.734 0.000 0.000) 0.734 2.284 ( 7.217 0.000 0.000) 7.217 2.463 ( -1.957 0.000 0.000) 1.957 2.636 ( 5.709 0.000 0.000) 5.709 2.760 ( 3.930 0.000 0.000) 3.930 2.894 ( 1.962 0.000 0.000) 1.962 2.933 ( 3.699 0.000 0.000) 3.699 3.041 ( -4.212 0.000 0.000) 4.212 3.182 ( 0.084 0.000 0.000) 0.084 3.214 ( 1.762 0.000 0.000) 1.762 3.272 ( -3.544 0.000 0.000) 3.544 3.390 ( -0.003 0.000 0.000) 0.003 3.513 ( -2.515 0.000 0.000) 2.515 3.531 ( -1.374 0.000 0.000) 1.374 3.705 ( -4.653 0.000 0.000) 4.653 4.013 ( -1.346 0.000 0.000) 1.346 4.078 ( -4.455 0.000 0.000) 4.455 4.125 ( -5.074 0.000 0.000) 5.074 4.477 ( -5.717 0.000 0.000) 5.717 4.623 ( -1.854 0.000 0.000) 1.854 4.640 ( 1.400 0.000 0.000) 1.400 4.872 ( 4.662 0.000 0.000) 4.662 4.893 ( -7.642 0.000 0.000) 7.642 4.954 ( -3.116 0.000 0.000) 3.116 5.166 ( 6.739 0.000 0.000) 6.739 5.239 ( 0.044 0.000 0.000) 0.044 5.333 ( 2.297 0.000 0.000) 2.297 5.377 ( -8.127 0.000 0.000) 8.127 5.624 ( 3.940 0.000 0.000) 3.940 5.723 ( 6.827 0.000 0.000) 6.827 5.952 ( 5.079 0.000 0.000) 5.079 5.953 ( 0.100 0.000 0.000) 0.100 6.084 ( 0.819 0.000 0.000) 0.819 6.141 ( -0.658 0.000 0.000) 0.658 6.280 ( 2.601 0.000 0.000) 2.601 6.377 ( 0.215 0.000 0.000) 0.215 6.760 ( -5.617 0.000 0.000) 5.617 7.303 ( -0.313 0.000 0.000) 0.313 7.507 ( 2.040 0.000 0.000) 2.040 7.755 ( -5.618 0.000 0.000) 5.618 7.855 ( -1.187 0.000 0.000) 1.187 7.892 ( 1.358 0.000 0.000) 1.358 8.008 ( -3.633 0.000 0.000) 3.633 8.167 ( 1.210 0.000 0.000) 1.210 8.423 ( 4.906 0.000 0.000) 4.906 8.715 ( -7.489 0.000 0.000) 7.489 8.754 ( -8.142 0.000 0.000) 8.142 9.143 ( 1.442 0.000 0.000) 1.442 9.235 ( 1.361 0.000 0.000) 1.361 9.534 ( 2.782 0.000 0.000) 2.782 9.631 ( -2.781 0.000 0.000) 2.781 9.754 ( -1.308 0.000 0.000) 1.308 9.785 ( -2.709 0.000 0.000) 2.709 10.110 ( -2.628 0.000 0.000) 2.628 10.141 ( 4.216 0.000 0.000) 4.216 10.262 ( 6.772 0.000 0.000) 6.772 10.587 ( 1.965 0.000 0.000) 1.965 10.693 ( 11.597 0.000 0.000) 11.597 10.857 ( 6.086 0.000 0.000) 6.086 11.534 ( 3.872 0.000 0.000) 3.872 11.760 ( 2.242 0.000 0.000) 2.242 12.118 ( 1.543 0.000 0.000) 1.543 12.374 ( 0.905 0.000 0.000) 0.905 12.685 ( -0.498 0.000 0.000) 0.498 12.780 ( -1.791 0.000 0.000) 1.791 12.878 ( 4.143 0.000 0.000) 4.143 13.633 ( -3.345 0.000 0.000) 3.345 13.881 ( -5.128 0.000 0.000) 5.128 14.121 ( 5.123 0.000 0.000) 5.123 14.251 ( -2.154 0.000 0.000) 2.154 14.476 ( 0.554 0.000 0.000) 0.554 14.617 ( -1.087 0.000 0.000) 1.087 14.944 ( -4.145 0.000 0.000) 4.145 15.207 ( -6.664 0.000 0.000) 6.664 15.343 ( 0.116 0.000 0.000) 0.116 15.645 ( -9.406 0.000 0.000) 9.406 16.061 ( 10.301 0.000 0.000) 10.301 16.376 ( 2.366 0.000 0.000) 2.366 16.579 ( -11.396 0.000 0.000) 11.396 16.720 ( -4.076 0.000 0.000) 4.076 17.029 ( 10.629 0.000 0.000) 10.629 17.227 ( 1.561 0.000 0.000) 1.561 17.572 ( 2.416 0.000 0.000) 2.416 17.643 ( -0.696 0.000 0.000) 0.696 17.835 ( -1.203 0.000 0.000) 1.203 17.937 ( -3.683 0.000 0.000) 3.683 18.476 ( 1.953 0.000 0.000) 1.953 18.588 ( 7.751 0.000 0.000) 7.751 18.638 ( 3.314 0.000 0.000) 3.314 19.006 ( -0.015 0.000 0.000) 0.015 19.193 ( -0.935 0.000 0.000) 0.935 19.223 ( 0.656 0.000 0.000) 0.656 19.577 ( -0.427 0.000 0.000) 0.427 19.610 ( -1.251 0.000 0.000) 1.251 20.071 ( 1.674 0.000 0.000) 1.674 20.407 ( -7.330 0.000 0.000) 7.330 20.476 ( 3.445 0.000 0.000) 3.445 20.754 ( -0.258 0.000 0.000) 0.258 20.793 ( 2.489 0.000 0.000) 2.489 21.162 ( -4.675 0.000 0.000) 4.675 21.605 ( -0.503 0.000 0.000) 0.503 21.676 ( -4.497 0.000 0.000) 4.497 21.918 ( 3.011 0.000 0.000) 3.011 22.010 ( 1.549 0.000 0.000) 1.549 22.740 ( -4.394 0.000 0.000) 4.394 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 27.351 0.000 0.000) 27.351 1.145 ( 27.924 0.000 0.000) 27.924 2.052 ( 45.847 0.000 0.000) 45.847 2.284 ( 1.690 0.000 0.000) 1.690 2.390 ( -5.438 0.000 0.000) 5.438 2.453 ( 9.521 0.000 0.000) 9.521 2.729 ( 2.403 0.000 0.000) 2.403 2.832 ( 3.329 0.000 0.000) 3.329 2.944 ( -5.162 0.000 0.000) 5.162 2.972 ( 5.153 0.000 0.000) 5.153 3.010 ( 3.149 0.000 0.000) 3.149 3.174 ( -1.189 0.000 0.000) 1.189 3.197 ( -3.760 0.000 0.000) 3.760 3.241 ( 0.510 0.000 0.000) 0.510 3.366 ( -2.654 0.000 0.000) 2.654 3.430 ( -6.261 0.000 0.000) 6.261 3.529 ( 2.458 0.000 0.000) 2.458 3.589 ( -6.548 0.000 0.000) 6.548 3.947 ( -8.453 0.000 0.000) 8.453 3.971 ( -3.299 0.000 0.000) 3.299 4.016 ( -5.049 0.000 0.000) 5.049 4.378 ( -4.090 0.000 0.000) 4.090 4.569 ( -3.416 0.000 0.000) 3.416 4.661 ( 0.686 0.000 0.000) 0.686 4.756 ( -5.292 0.000 0.000) 5.292 4.934 ( 0.584 0.000 0.000) 0.584 4.975 ( 5.741 0.000 0.000) 5.741 5.215 ( -1.456 0.000 0.000) 1.456 5.238 ( -5.824 0.000 0.000) 5.824 5.293 ( 4.749 0.000 0.000) 4.749 5.392 ( 3.645 0.000 0.000) 3.645 5.677 ( 1.224 0.000 0.000) 1.224 5.808 ( 1.374 0.000 0.000) 1.374 5.944 ( -0.051 0.000 0.000) 0.051 6.071 ( 5.917 0.000 0.000) 5.917 6.146 ( 1.788 0.000 0.000) 1.788 6.167 ( 6.997 0.000 0.000) 6.997 6.316 ( 0.639 0.000 0.000) 0.639 6.382 ( 0.526 0.000 0.000) 0.526 6.619 ( -8.374 0.000 0.000) 8.374 7.314 ( 1.582 0.000 0.000) 1.582 7.552 ( 2.537 0.000 0.000) 2.537 7.621 ( -7.312 0.000 0.000) 7.312 7.836 ( -0.785 0.000 0.000) 0.785 7.914 ( 0.537 0.000 0.000) 0.537 7.946 ( -3.099 0.000 0.000) 3.099 8.202 ( 2.485 0.000 0.000) 2.485 8.430 ( -4.777 0.000 0.000) 4.777 8.569 ( -10.620 0.000 0.000) 10.620 8.643 ( 0.324 0.000 0.000) 0.324 9.152 ( -0.649 0.000 0.000) 0.649 9.188 ( -5.010 0.000 0.000) 5.010 9.569 ( -2.586 0.000 0.000) 2.586 9.578 ( 0.908 0.000 0.000) 0.908 9.729 ( -3.314 0.000 0.000) 3.314 9.748 ( 0.406 0.000 0.000) 0.406 10.124 ( 4.282 0.000 0.000) 4.282 10.244 ( 5.933 0.000 0.000) 5.933 10.412 ( 8.204 0.000 0.000) 8.204 10.636 ( 2.907 0.000 0.000) 2.907 10.933 ( 12.148 0.000 0.000) 12.148 10.995 ( 7.448 0.000 0.000) 7.448 11.629 ( 5.594 0.000 0.000) 5.594 11.815 ( 3.142 0.000 0.000) 3.142 12.165 ( 3.472 0.000 0.000) 3.472 12.400 ( 1.845 0.000 0.000) 1.845 12.696 ( 2.301 0.000 0.000) 2.301 12.731 ( -3.124 0.000 0.000) 3.124 12.985 ( 6.563 0.000 0.000) 6.563 13.504 ( -10.306 0.000 0.000) 10.306 13.808 ( -1.062 0.000 0.000) 1.062 14.197 ( -3.204 0.000 0.000) 3.204 14.242 ( 6.734 0.000 0.000) 6.734 14.472 ( -1.417 0.000 0.000) 1.417 14.584 ( -2.352 0.000 0.000) 2.352 14.847 ( -5.485 0.000 0.000) 5.485 15.064 ( -6.917 0.000 0.000) 6.917 15.348 ( 0.427 0.000 0.000) 0.427 15.469 ( -9.187 0.000 0.000) 9.187 16.199 ( -0.940 0.000 0.000) 0.940 16.338 ( -3.772 0.000 0.000) 3.772 16.494 ( 5.047 0.000 0.000) 5.047 16.623 ( -5.243 0.000 0.000) 5.243 17.253 ( 12.595 0.000 0.000) 12.595 17.268 ( 1.956 0.000 0.000) 1.956 17.629 ( 3.315 0.000 0.000) 3.315 17.631 ( -0.993 0.000 0.000) 0.993 17.834 ( 2.264 0.000 0.000) 2.264 17.882 ( -1.516 0.000 0.000) 1.516 18.498 ( -0.323 0.000 0.000) 0.323 18.715 ( 4.363 0.000 0.000) 4.363 18.745 ( 7.550 0.000 0.000) 7.550 18.995 ( -1.282 0.000 0.000) 1.282 19.162 ( -2.199 0.000 0.000) 2.199 19.194 ( -3.793 0.000 0.000) 3.793 19.567 ( 0.089 0.000 0.000) 0.089 19.587 ( -0.947 0.000 0.000) 0.947 20.183 ( 9.365 0.000 0.000) 9.365 20.200 ( -13.814 0.000 0.000) 13.814 20.551 ( 4.270 0.000 0.000) 4.270 20.748 ( -0.383 0.000 0.000) 0.383 20.849 ( 3.028 0.000 0.000) 3.028 21.065 ( -4.903 0.000 0.000) 4.903 21.567 ( -6.836 0.000 0.000) 6.836 21.605 ( 0.778 0.000 0.000) 0.778 21.957 ( 0.631 0.000 0.000) 0.631 22.044 ( 1.863 0.000 0.000) 1.863 22.628 ( -6.812 0.000 0.000) 6.812 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 21.707 0.000 0.000) 21.707 1.667 ( 26.095 0.000 0.000) 26.095 2.190 ( -9.203 0.000 0.000) 9.203 2.357 ( 3.077 0.000 0.000) 3.077 2.619 ( 6.108 0.000 0.000) 6.108 2.725 ( -0.926 0.000 0.000) 0.926 2.734 ( 15.031 0.000 0.000) 15.031 2.835 ( -5.908 0.000 0.000) 5.908 2.882 ( -0.971 0.000 0.000) 0.971 2.968 ( -5.051 0.000 0.000) 5.051 3.032 ( -3.097 0.000 0.000) 3.097 3.140 ( -2.793 0.000 0.000) 2.793 3.206 ( -1.895 0.000 0.000) 1.895 3.227 ( 9.194 0.000 0.000) 9.194 3.324 ( 1.497 0.000 0.000) 1.497 3.340 ( -0.122 0.000 0.000) 0.122 3.483 ( -4.047 0.000 0.000) 4.047 3.620 ( 4.173 0.000 0.000) 4.173 3.817 ( -1.683 0.000 0.000) 1.683 3.889 ( -3.963 0.000 0.000) 3.963 3.968 ( 0.284 0.000 0.000) 0.284 4.332 ( -0.704 0.000 0.000) 0.704 4.523 ( -1.317 0.000 0.000) 1.317 4.656 ( -1.392 0.000 0.000) 1.392 4.670 ( -4.338 0.000 0.000) 4.338 4.954 ( 0.267 0.000 0.000) 0.267 5.071 ( 3.283 0.000 0.000) 3.283 5.177 ( -1.753 0.000 0.000) 1.753 5.182 ( 0.985 0.000 0.000) 0.985 5.363 ( 2.506 0.000 0.000) 2.506 5.461 ( 3.456 0.000 0.000) 3.456 5.671 ( -1.371 0.000 0.000) 1.371 5.790 ( -2.486 0.000 0.000) 2.486 5.949 ( -0.401 0.000 0.000) 0.401 6.134 ( 1.395 0.000 0.000) 1.395 6.215 ( 4.045 0.000 0.000) 4.045 6.273 ( -2.190 0.000 0.000) 2.190 6.326 ( 5.667 0.000 0.000) 5.667 6.416 ( 3.118 0.000 0.000) 3.118 6.478 ( -5.371 0.000 0.000) 5.371 7.357 ( 2.497 0.000 0.000) 2.497 7.502 ( -4.742 0.000 0.000) 4.742 7.603 ( 2.718 0.000 0.000) 2.718 7.802 ( -3.661 0.000 0.000) 3.661 7.906 ( -0.075 0.000 0.000) 0.075 7.911 ( -0.538 0.000 0.000) 0.538 8.261 ( 3.386 0.000 0.000) 3.386 8.308 ( -6.914 0.000 0.000) 6.914 8.364 ( -9.940 0.000 0.000) 9.940 8.648 ( -1.081 0.000 0.000) 1.081 9.090 ( -4.375 0.000 0.000) 4.375 9.118 ( -2.645 0.000 0.000) 2.645 9.561 ( -2.104 0.000 0.000) 2.104 9.562 ( 2.080 0.000 0.000) 2.080 9.658 ( -3.907 0.000 0.000) 3.907 9.770 ( 1.522 0.000 0.000) 1.522 10.234 ( 6.080 0.000 0.000) 6.080 10.348 ( 4.442 0.000 0.000) 4.442 10.559 ( 6.748 0.000 0.000) 6.748 10.690 ( 2.484 0.000 0.000) 2.484 11.124 ( 5.723 0.000 0.000) 5.723 11.126 ( 7.542 0.000 0.000) 7.542 11.732 ( 4.799 0.000 0.000) 4.799 11.866 ( 1.798 0.000 0.000) 1.798 12.250 ( 5.175 0.000 0.000) 5.175 12.449 ( 3.225 0.000 0.000) 3.225 12.667 ( -3.177 0.000 0.000) 3.177 12.785 ( 6.774 0.000 0.000) 6.774 13.109 ( 5.822 0.000 0.000) 5.822 13.272 ( -12.609 0.000 0.000) 12.609 13.843 ( 4.254 0.000 0.000) 4.254 14.138 ( -2.717 0.000 0.000) 2.717 14.355 ( 4.523 0.000 0.000) 4.523 14.417 ( -3.576 0.000 0.000) 3.576 14.527 ( -3.753 0.000 0.000) 3.753 14.745 ( -5.063 0.000 0.000) 5.063 14.983 ( -1.194 0.000 0.000) 1.194 15.286 ( -9.693 0.000 0.000) 9.693 15.364 ( 1.517 0.000 0.000) 1.517 15.997 ( -13.376 0.000 0.000) 13.376 16.405 ( 4.964 0.000 0.000) 4.964 16.540 ( -3.121 0.000 0.000) 3.121 16.630 ( 8.326 0.000 0.000) 8.326 17.263 ( -3.162 0.000 0.000) 3.162 17.502 ( 12.731 0.000 0.000) 12.731 17.621 ( 0.885 0.000 0.000) 0.885 17.694 ( 3.354 0.000 0.000) 3.354 17.888 ( 2.363 0.000 0.000) 2.363 17.920 ( 5.344 0.000 0.000) 5.344 18.444 ( -5.405 0.000 0.000) 5.405 18.795 ( 3.594 0.000 0.000) 3.594 18.845 ( 2.127 0.000 0.000) 2.127 18.959 ( -1.934 0.000 0.000) 1.934 19.123 ( -2.069 0.000 0.000) 2.069 19.124 ( -1.084 0.000 0.000) 1.084 19.575 ( -0.700 0.000 0.000) 0.700 19.590 ( 1.977 0.000 0.000) 1.977 19.904 ( -16.019 0.000 0.000) 16.019 20.382 ( 10.334 0.000 0.000) 10.334 20.636 ( 4.361 0.000 0.000) 4.361 20.741 ( -0.294 0.000 0.000) 0.294 20.908 ( 3.280 0.000 0.000) 3.280 20.976 ( -4.629 0.000 0.000) 4.629 21.417 ( -8.671 0.000 0.000) 8.671 21.642 ( 3.156 0.000 0.000) 3.156 21.939 ( -2.263 0.000 0.000) 2.263 22.080 ( 2.054 0.000 0.000) 2.054 22.491 ( -7.321 0.000 0.000) 7.321 ======================= Grid point 4 (5/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 10.589 0.000 0.000) 10.589 2.026 ( -6.179 0.000 0.000) 6.179 2.133 ( 21.967 0.000 0.000) 21.967 2.448 ( 5.508 0.000 0.000) 5.508 2.602 ( -4.240 0.000 0.000) 4.240 2.696 ( -6.804 0.000 0.000) 6.804 2.712 ( -7.416 0.000 0.000) 7.416 2.781 ( -4.017 0.000 0.000) 4.017 2.794 ( 4.045 0.000 0.000) 4.045 2.897 ( -9.591 0.000 0.000) 9.591 2.963 ( -1.702 0.000 0.000) 1.702 3.096 ( 2.092 0.000 0.000) 2.092 3.110 ( -5.825 0.000 0.000) 5.825 3.259 ( -2.309 0.000 0.000) 2.309 3.377 ( 1.714 0.000 0.000) 1.714 3.460 ( 2.160 0.000 0.000) 2.160 3.468 ( -0.890 0.000 0.000) 0.890 3.637 ( -2.976 0.000 0.000) 2.976 3.843 ( 6.722 0.000 0.000) 6.722 3.997 ( 1.367 0.000 0.000) 1.367 4.100 ( 23.662 0.000 0.000) 23.662 4.350 ( 2.911 0.000 0.000) 2.911 4.488 ( -3.380 0.000 0.000) 3.380 4.590 ( -3.172 0.000 0.000) 3.172 4.613 ( -2.608 0.000 0.000) 2.608 4.888 ( -8.420 0.000 0.000) 8.420 5.108 ( 1.701 0.000 0.000) 1.701 5.160 ( -0.434 0.000 0.000) 0.434 5.254 ( 4.765 0.000 0.000) 4.765 5.377 ( -1.319 0.000 0.000) 1.319 5.531 ( 4.084 0.000 0.000) 4.084 5.671 ( 2.797 0.000 0.000) 2.797 5.721 ( -4.594 0.000 0.000) 4.594 5.900 ( -4.979 0.000 0.000) 4.979 6.146 ( 0.210 0.000 0.000) 0.210 6.195 ( -3.462 0.000 0.000) 3.462 6.289 ( 3.759 0.000 0.000) 3.759 6.407 ( -2.465 0.000 0.000) 2.465 6.437 ( 4.186 0.000 0.000) 4.186 6.474 ( 2.199 0.000 0.000) 2.199 7.394 ( 1.136 0.000 0.000) 1.136 7.438 ( -2.193 0.000 0.000) 2.193 7.648 ( 1.788 0.000 0.000) 1.788 7.719 ( -3.814 0.000 0.000) 3.814 7.917 ( 1.778 0.000 0.000) 1.778 7.935 ( 2.353 0.000 0.000) 2.353 8.179 ( -6.303 0.000 0.000) 6.303 8.180 ( -7.236 0.000 0.000) 7.236 8.360 ( 5.429 0.000 0.000) 5.429 8.590 ( -4.790 0.000 0.000) 4.790 9.032 ( -1.627 0.000 0.000) 1.627 9.064 ( -2.662 0.000 0.000) 2.662 9.527 ( -0.876 0.000 0.000) 0.876 9.586 ( -3.401 0.000 0.000) 3.401 9.635 ( 4.900 0.000 0.000) 4.900 9.780 ( -1.006 0.000 0.000) 1.006 10.337 ( 4.427 0.000 0.000) 4.427 10.404 ( 1.351 0.000 0.000) 1.351 10.664 ( 4.154 0.000 0.000) 4.154 10.724 ( 0.871 0.000 0.000) 0.871 11.209 ( 3.123 0.000 0.000) 3.123 11.223 ( 2.791 0.000 0.000) 2.791 11.808 ( 3.157 0.000 0.000) 3.157 11.879 ( -0.403 0.000 0.000) 0.403 12.352 ( 5.140 0.000 0.000) 5.140 12.493 ( -0.275 0.000 0.000) 0.275 12.648 ( 2.917 0.000 0.000) 2.917 12.895 ( 0.125 0.000 0.000) 0.125 13.086 ( -2.826 0.000 0.000) 2.826 13.184 ( 1.430 0.000 0.000) 1.430 13.953 ( 6.392 0.000 0.000) 6.392 14.095 ( -1.905 0.000 0.000) 1.905 14.339 ( -2.325 0.000 0.000) 2.325 14.438 ( -5.267 0.000 0.000) 5.267 14.447 ( 4.195 0.000 0.000) 4.195 14.650 ( -5.113 0.000 0.000) 5.113 14.994 ( 1.461 0.000 0.000) 1.461 15.118 ( -7.125 0.000 0.000) 7.125 15.420 ( 4.709 0.000 0.000) 4.709 15.751 ( -11.842 0.000 0.000) 11.842 16.476 ( 2.279 0.000 0.000) 2.279 16.505 ( -0.787 0.000 0.000) 0.787 16.802 ( 9.378 0.000 0.000) 9.378 17.152 ( -7.800 0.000 0.000) 7.800 17.667 ( 3.275 0.000 0.000) 3.275 17.703 ( 5.890 0.000 0.000) 5.890 17.763 ( 5.462 0.000 0.000) 5.462 17.981 ( -0.257 0.000 0.000) 0.257 17.981 ( 7.340 0.000 0.000) 7.340 18.306 ( -8.209 0.000 0.000) 8.209 18.816 ( -1.261 0.000 0.000) 1.261 18.834 ( -2.135 0.000 0.000) 2.135 18.992 ( 6.274 0.000 0.000) 6.274 19.124 ( 0.372 0.000 0.000) 0.372 19.128 ( 2.185 0.000 0.000) 2.185 19.488 ( -11.298 0.000 0.000) 11.298 19.627 ( 1.541 0.000 0.000) 1.541 19.674 ( -4.606 0.000 0.000) 4.606 20.567 ( 8.967 0.000 0.000) 8.967 20.706 ( 2.748 0.000 0.000) 2.748 20.735 ( -0.409 0.000 0.000) 0.409 20.878 ( -5.797 0.000 0.000) 5.797 20.983 ( 4.722 0.000 0.000) 4.722 21.245 ( -8.784 0.000 0.000) 8.784 21.720 ( 4.627 0.000 0.000) 4.627 21.881 ( -3.559 0.000 0.000) 3.559 22.131 ( 3.546 0.000 0.000) 3.546 22.351 ( -7.153 0.000 0.000) 7.153 ======================= Grid point 5 (6/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -0.189 0.000 0.000) 0.189 1.975 ( 0.189 0.000 0.000) 0.189 2.469 ( -9.437 0.000 0.000) 9.437 2.469 ( 9.437 0.000 0.000) 9.437 2.574 ( -3.070 0.000 0.000) 3.070 2.574 ( 3.070 0.000 0.000) 3.070 2.696 ( -4.552 0.000 0.000) 4.552 2.696 ( 4.552 0.000 0.000) 4.552 2.777 ( -1.771 0.000 0.000) 1.771 2.777 ( 1.771 0.000 0.000) 1.771 2.995 ( -5.501 0.000 0.000) 5.501 2.995 ( 5.501 0.000 0.000) 5.501 3.188 ( -5.074 0.000 0.000) 5.074 3.188 ( 5.074 0.000 0.000) 5.074 3.414 ( -2.684 0.000 0.000) 2.684 3.414 ( 2.684 0.000 0.000) 2.684 3.537 ( -5.228 0.000 0.000) 5.228 3.537 ( 5.228 0.000 0.000) 5.228 3.975 ( -4.404 0.000 0.000) 4.404 3.975 ( 4.404 0.000 0.000) 4.404 4.394 ( -5.675 0.000 0.000) 5.675 4.394 ( 5.675 0.000 0.000) 5.675 4.559 ( -4.452 0.000 0.000) 4.452 4.559 ( 4.452 0.000 0.000) 4.452 4.614 ( -15.286 0.000 0.000) 15.286 4.614 ( 15.286 0.000 0.000) 15.286 5.142 ( -1.541 0.000 0.000) 1.541 5.142 ( 1.541 0.000 0.000) 1.541 5.332 ( -3.118 0.000 0.000) 3.118 5.332 ( 3.118 0.000 0.000) 3.118 5.622 ( -5.310 0.000 0.000) 5.310 5.622 ( 5.310 0.000 0.000) 5.310 5.776 ( -6.997 0.000 0.000) 6.997 5.776 ( 6.997 0.000 0.000) 6.997 6.155 ( -0.999 0.000 0.000) 0.999 6.155 ( 0.999 0.000 0.000) 0.999 6.355 ( -3.058 0.000 0.000) 3.058 6.355 ( 3.058 0.000 0.000) 3.058 6.487 ( -0.920 0.000 0.000) 0.920 6.487 ( 0.920 0.000 0.000) 0.920 7.409 ( -0.903 0.000 0.000) 0.903 7.409 ( 0.903 0.000 0.000) 0.903 7.673 ( -1.262 0.000 0.000) 1.262 7.673 ( 1.262 0.000 0.000) 1.262 7.962 ( -0.988 0.000 0.000) 0.988 7.962 ( 0.988 0.000 0.000) 0.988 8.099 ( -0.139 0.000 0.000) 0.139 8.099 ( 0.139 0.000 0.000) 0.139 8.477 ( -6.430 0.000 0.000) 6.430 8.477 ( 6.430 0.000 0.000) 6.430 9.027 ( -0.985 0.000 0.000) 0.985 9.027 ( 0.985 0.000 0.000) 0.985 9.535 ( -1.667 0.000 0.000) 1.667 9.535 ( 1.667 0.000 0.000) 1.667 9.728 ( -4.207 0.000 0.000) 4.207 9.728 ( 4.207 0.000 0.000) 4.207 10.399 ( -1.857 0.000 0.000) 1.857 10.399 ( 1.857 0.000 0.000) 1.857 10.718 ( -1.502 0.000 0.000) 1.502 10.718 ( 1.502 0.000 0.000) 1.502 11.243 ( -0.439 0.000 0.000) 0.439 11.243 ( 0.439 0.000 0.000) 0.439 11.856 ( -1.866 0.000 0.000) 1.866 11.856 ( 1.866 0.000 0.000) 1.866 12.441 ( -4.062 0.000 0.000) 4.062 12.441 ( 4.062 0.000 0.000) 4.062 12.770 ( -8.367 0.000 0.000) 8.367 12.770 ( 8.367 0.000 0.000) 8.367 13.153 ( -4.435 0.000 0.000) 4.435 13.153 ( 4.435 0.000 0.000) 4.435 14.051 ( -3.321 0.000 0.000) 3.321 14.051 ( 3.321 0.000 0.000) 3.321 14.347 ( -3.310 0.000 0.000) 3.310 14.347 ( 3.310 0.000 0.000) 3.310 14.543 ( -5.712 0.000 0.000) 5.712 14.543 ( 5.712 0.000 0.000) 5.712 15.028 ( -2.528 0.000 0.000) 2.528 15.028 ( 2.528 0.000 0.000) 2.528 15.551 ( -8.800 0.000 0.000) 8.800 15.551 ( 8.800 0.000 0.000) 8.800 16.498 ( -0.331 0.000 0.000) 0.331 16.498 ( 0.331 0.000 0.000) 0.331 16.984 ( -9.352 0.000 0.000) 9.352 16.984 ( 9.352 0.000 0.000) 9.352 17.721 ( -1.744 0.000 0.000) 1.744 17.721 ( 1.744 0.000 0.000) 1.744 17.904 ( -6.872 0.000 0.000) 6.872 17.904 ( 6.872 0.000 0.000) 6.872 18.144 ( -8.736 0.000 0.000) 8.736 18.144 ( 8.736 0.000 0.000) 8.736 18.803 ( -0.530 0.000 0.000) 0.530 18.803 ( 0.530 0.000 0.000) 0.530 19.109 ( -2.851 0.000 0.000) 2.851 19.109 ( 2.851 0.000 0.000) 2.851 19.240 ( -11.235 0.000 0.000) 11.235 19.240 ( 11.235 0.000 0.000) 11.235 19.646 ( -0.569 0.000 0.000) 0.569 19.646 ( 0.569 0.000 0.000) 0.569 20.709 ( -3.940 0.000 0.000) 3.940 20.709 ( 3.940 0.000 0.000) 3.940 20.760 ( -4.885 0.000 0.000) 4.885 20.760 ( 4.885 0.000 0.000) 4.885 21.093 ( -6.850 0.000 0.000) 6.850 21.093 ( 6.850 0.000 0.000) 6.850 21.807 ( -4.209 0.000 0.000) 4.209 21.807 ( 4.209 0.000 0.000) 4.209 22.223 ( -5.938 0.000 0.000) 5.938 22.223 ( 5.938 0.000 0.000) 5.938 ======================= Grid point 11 (7/72) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 0.000 27.950 0.000) 27.950 0.571 ( 0.000 30.285 0.000) 30.285 1.000 ( 0.000 52.638 0.000) 52.638 2.135 ( 0.000 -11.608 0.000) 11.608 2.268 ( 0.000 6.239 0.000) 6.239 2.431 ( 0.000 -14.379 0.000) 14.379 2.528 ( 0.000 3.847 0.000) 3.847 2.705 ( 0.000 -0.907 0.000) 0.907 2.883 ( 0.000 3.868 0.000) 3.868 2.892 ( 0.000 -2.547 0.000) 2.547 3.065 ( 0.000 -2.064 0.000) 2.064 3.178 ( 0.000 -0.787 0.000) 0.787 3.236 ( 0.000 -3.756 0.000) 3.756 3.344 ( 0.000 9.181 0.000) 9.181 3.411 ( 0.000 2.941 0.000) 2.941 3.462 ( 0.000 -3.878 0.000) 3.878 3.559 ( 0.000 -0.147 0.000) 0.147 3.791 ( 0.000 1.560 0.000) 1.560 3.970 ( 0.000 -0.288 0.000) 0.288 3.983 ( 0.000 -9.630 0.000) 9.630 4.235 ( 0.000 0.501 0.000) 0.501 4.403 ( 0.000 -12.093 0.000) 12.093 4.600 ( 0.000 -6.542 0.000) 6.542 4.602 ( 0.000 -0.562 0.000) 0.562 4.831 ( 0.000 1.594 0.000) 1.594 5.005 ( 0.000 6.159 0.000) 6.159 5.069 ( 0.000 0.619 0.000) 0.619 5.248 ( 0.000 3.557 0.000) 3.557 5.286 ( 0.000 5.646 0.000) 5.646 5.507 ( 0.000 -2.016 0.000) 2.016 5.517 ( 0.000 1.124 0.000) 1.124 5.590 ( 0.000 1.431 0.000) 1.431 5.762 ( 0.000 9.933 0.000) 9.933 5.793 ( 0.000 -5.916 0.000) 5.916 5.920 ( 0.000 -2.318 0.000) 2.318 6.130 ( 0.000 -1.766 0.000) 1.766 6.168 ( 0.000 1.851 0.000) 1.851 6.224 ( 0.000 -1.940 0.000) 1.940 6.351 ( 0.000 -3.196 0.000) 3.196 6.490 ( 0.000 -2.145 0.000) 2.145 7.347 ( 0.000 3.773 0.000) 3.773 7.479 ( 0.000 -0.461 0.000) 0.461 7.784 ( 0.000 -2.278 0.000) 2.278 7.885 ( 0.000 1.163 0.000) 1.163 7.885 ( 0.000 1.184 0.000) 1.184 8.092 ( 0.000 2.213 0.000) 2.213 8.125 ( 0.000 -2.104 0.000) 2.104 8.366 ( 0.000 1.764 0.000) 1.764 8.638 ( 0.000 -10.009 0.000) 10.009 8.995 ( 0.000 7.073 0.000) 7.073 9.061 ( 0.000 -6.001 0.000) 6.001 9.185 ( 0.000 -0.620 0.000) 0.620 9.627 ( 0.000 -1.223 0.000) 1.223 9.647 ( 0.000 -0.820 0.000) 0.820 9.713 ( 0.000 -0.585 0.000) 0.585 9.775 ( 0.000 -0.553 0.000) 0.553 10.053 ( 0.000 -1.994 0.000) 1.994 10.189 ( 0.000 -0.304 0.000) 0.304 10.206 ( 0.000 3.034 0.000) 3.034 10.315 ( 0.000 -0.943 0.000) 0.943 10.850 ( 0.000 5.512 0.000) 5.512 10.934 ( 0.000 3.873 0.000) 3.873 11.240 ( 0.000 -4.660 0.000) 4.660 11.479 ( 0.000 -2.419 0.000) 2.419 12.106 ( 0.000 0.735 0.000) 0.735 12.349 ( 0.000 -1.764 0.000) 1.764 12.723 ( 0.000 -0.200 0.000) 0.200 12.806 ( 0.000 -2.212 0.000) 2.212 12.973 ( 0.000 5.744 0.000) 5.744 13.470 ( 0.000 -2.915 0.000) 2.915 13.974 ( 0.000 2.928 0.000) 2.928 14.109 ( 0.000 4.711 0.000) 4.711 14.381 ( 0.000 -4.880 0.000) 4.880 14.601 ( 0.000 -3.069 0.000) 3.069 14.915 ( 0.000 1.428 0.000) 1.428 15.040 ( 0.000 4.540 0.000) 4.540 15.069 ( 0.000 -0.145 0.000) 0.145 15.330 ( 0.000 -1.316 0.000) 1.316 15.839 ( 0.000 2.953 0.000) 2.953 16.090 ( 0.000 0.598 0.000) 0.598 16.382 ( 0.000 -2.258 0.000) 2.258 16.439 ( 0.000 -3.170 0.000) 3.170 16.696 ( 0.000 -4.943 0.000) 4.943 16.860 ( 0.000 -1.994 0.000) 1.994 17.129 ( 0.000 6.535 0.000) 6.535 17.252 ( 0.000 0.803 0.000) 0.803 17.636 ( 0.000 -1.784 0.000) 1.784 17.849 ( 0.000 -8.469 0.000) 8.469 17.956 ( 0.000 3.496 0.000) 3.496 18.460 ( 0.000 -4.989 0.000) 4.989 18.505 ( 0.000 5.461 0.000) 5.461 18.705 ( 0.000 8.022 0.000) 8.022 19.146 ( 0.000 -1.211 0.000) 1.211 19.169 ( 0.000 -3.078 0.000) 3.078 19.226 ( 0.000 1.577 0.000) 1.577 19.325 ( 0.000 -0.698 0.000) 0.698 19.639 ( 0.000 1.985 0.000) 1.985 20.042 ( 0.000 -3.376 0.000) 3.376 20.331 ( 0.000 0.247 0.000) 0.247 20.592 ( 0.000 9.728 0.000) 9.728 20.720 ( 0.000 -4.685 0.000) 4.685 21.039 ( 0.000 0.134 0.000) 0.134 21.343 ( 0.000 0.680 0.000) 0.680 21.440 ( 0.000 -0.822 0.000) 0.822 21.629 ( 0.000 1.815 0.000) 1.815 21.857 ( 0.000 -2.024 0.000) 2.024 22.285 ( 0.000 1.632 0.000) 1.632 22.577 ( 0.000 -3.284 0.000) 3.284 ======================= Grid point 12 (8/72) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 18.792 18.309 0.000) 26.236 0.792 ( 21.359 19.201 0.000) 28.721 1.458 ( 36.922 33.492 0.000) 49.849 2.152 ( 1.852 -10.352 0.000) 10.516 2.342 ( 5.948 2.842 0.000) 6.592 2.482 ( 2.440 -3.741 0.000) 4.467 2.523 ( 2.035 -3.739 0.000) 4.257 2.754 ( 4.308 -0.533 0.000) 4.340 2.888 ( 0.772 2.243 0.000) 2.372 2.929 ( 3.567 -2.887 0.000) 4.589 3.033 ( -2.978 -1.302 0.000) 3.250 3.168 ( -0.590 0.664 0.000) 0.889 3.209 ( -2.332 -4.784 0.000) 5.322 3.333 ( -1.007 7.676 0.000) 7.741 3.417 ( -0.402 2.653 0.000) 2.684 3.467 ( 1.136 -3.496 0.000) 3.676 3.537 ( -2.381 1.204 0.000) 2.668 3.744 ( -4.644 0.928 0.000) 4.736 3.969 ( -1.067 -6.765 0.000) 6.848 3.977 ( -1.337 -3.110 0.000) 3.385 4.141 ( -8.028 -1.403 0.000) 8.149 4.410 ( 0.445 -6.223 0.000) 6.239 4.566 ( -3.728 -3.950 0.000) 5.432 4.602 ( 0.526 -3.533 0.000) 3.572 4.829 ( -0.628 -1.869 0.000) 1.971 4.990 ( 0.383 7.300 0.000) 7.310 5.072 ( -6.034 3.905 0.000) 7.188 5.219 ( 2.250 5.545 0.000) 5.984 5.289 ( -0.112 5.452 0.000) 5.453 5.410 ( -4.486 3.428 0.000) 5.646 5.416 ( -4.366 6.369 0.000) 7.722 5.618 ( 5.249 -0.008 0.000) 5.249 5.769 ( 2.188 1.762 0.000) 2.809 5.891 ( 6.132 -2.028 0.000) 6.458 5.961 ( 1.951 -0.977 0.000) 2.182 6.115 ( -1.201 1.924 0.000) 2.268 6.151 ( -1.212 1.050 0.000) 1.604 6.238 ( 2.423 -4.080 0.000) 4.745 6.367 ( 0.548 -1.401 0.000) 1.504 6.592 ( 1.699 -12.101 0.000) 12.220 7.326 ( -1.308 2.402 0.000) 2.735 7.511 ( 2.411 0.233 0.000) 2.423 7.740 ( -4.373 -1.229 0.000) 4.543 7.853 ( -1.512 0.366 0.000) 1.556 7.915 ( 1.371 1.443 0.000) 1.991 8.039 ( -3.578 3.184 0.000) 4.790 8.146 ( 1.666 -1.965 0.000) 2.576 8.434 ( 4.710 0.954 0.000) 4.805 8.563 ( -6.402 -9.138 0.000) 11.157 8.866 ( -9.685 5.618 0.000) 11.197 9.026 ( -2.270 -8.032 0.000) 8.347 9.201 ( -0.345 -3.656 0.000) 3.672 9.503 ( -0.499 -0.103 0.000) 0.510 9.700 ( -1.624 -2.391 0.000) 2.891 9.741 ( 3.080 3.782 0.000) 4.877 9.818 ( -0.806 1.814 0.000) 1.985 10.107 ( 5.341 -1.423 0.000) 5.527 10.149 ( -2.210 2.965 0.000) 3.698 10.296 ( 5.673 1.053 0.000) 5.770 10.444 ( 8.970 -7.012 0.000) 11.385 10.878 ( 2.899 10.364 0.000) 10.762 10.912 ( 5.762 5.379 0.000) 7.882 11.484 ( 7.988 -7.405 0.000) 10.892 11.568 ( 10.896 -8.983 0.000) 14.121 12.118 ( 1.325 0.434 0.000) 1.395 12.348 ( 0.293 -2.268 0.000) 2.287 12.730 ( 0.261 1.297 0.000) 1.323 12.790 ( -2.236 -0.892 0.000) 2.407 12.955 ( 1.431 8.435 0.000) 8.556 13.529 ( 2.763 -6.099 0.000) 6.695 13.898 ( -6.487 1.591 0.000) 6.679 14.090 ( -1.600 0.206 0.000) 1.613 14.340 ( -4.113 -0.248 0.000) 4.120 14.528 ( -2.917 1.098 0.000) 3.117 14.712 ( -5.618 10.275 0.000) 11.711 14.959 ( -4.649 1.477 0.000) 4.878 15.165 ( -2.054 -2.525 0.000) 3.255 15.318 ( -0.875 -1.933 0.000) 2.122 15.732 ( -9.710 6.573 0.000) 11.725 16.095 ( 6.546 2.757 0.000) 7.102 16.354 ( 2.778 -2.767 0.000) 3.921 16.480 ( -7.798 -6.857 0.000) 10.384 16.703 ( -1.465 -2.445 0.000) 2.850 16.966 ( 7.258 -5.876 0.000) 9.338 17.269 ( 2.605 2.567 0.000) 3.657 17.353 ( 13.351 -6.659 0.000) 14.919 17.643 ( 1.159 -1.597 0.000) 1.973 17.867 ( -0.098 -2.916 0.000) 2.918 17.972 ( 0.817 4.545 0.000) 4.617 18.503 ( 1.633 -1.620 0.000) 2.300 18.528 ( 4.326 -0.345 0.000) 4.340 18.732 ( 2.584 6.044 0.000) 6.574 19.035 ( -4.692 1.879 0.000) 5.054 19.160 ( -3.227 -1.526 0.000) 3.570 19.196 ( 1.210 -2.837 0.000) 3.085 19.436 ( 3.326 -7.938 0.000) 8.607 19.648 ( 0.944 3.964 0.000) 4.075 20.043 ( 1.681 -2.029 0.000) 2.635 20.328 ( -2.134 -1.863 0.000) 2.833 20.593 ( 0.219 8.797 0.000) 8.800 20.719 ( 0.251 -4.532 0.000) 4.539 20.950 ( -4.525 7.255 0.000) 8.550 21.208 ( -6.728 4.136 0.000) 7.897 21.526 ( 0.848 -6.919 0.000) 6.971 21.650 ( 0.544 0.833 0.000) 0.995 21.859 ( 1.068 -2.747 0.000) 2.948 22.177 ( -3.768 8.665 0.000) 9.449 22.645 ( 0.271 -7.096 0.000) 7.101 ======================= Grid point 13 (9/72) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 25.988 6.156 0.000) 26.708 1.239 ( 23.687 11.597 0.000) 26.373 2.142 ( 20.308 2.040 0.000) 20.410 2.234 ( 14.962 1.017 0.000) 14.996 2.380 ( -3.948 -0.722 0.000) 4.014 2.553 ( 10.299 6.685 0.000) 12.278 2.619 ( 4.888 -8.036 0.000) 9.406 2.812 ( 1.042 0.597 0.000) 1.201 2.933 ( -1.757 -1.954 0.000) 2.628 2.958 ( 3.144 -0.661 0.000) 3.213 3.033 ( 3.889 -1.136 0.000) 4.051 3.133 ( -3.711 -2.991 0.000) 4.766 3.183 ( 0.931 1.079 0.000) 1.425 3.292 ( -3.211 1.911 0.000) 3.737 3.393 ( -1.630 3.967 0.000) 4.289 3.459 ( -5.504 2.602 0.000) 6.088 3.529 ( 4.411 0.144 0.000) 4.413 3.624 ( -7.273 1.486 0.000) 7.423 3.904 ( -5.633 -3.481 0.000) 6.622 3.933 ( -3.701 -2.802 0.000) 4.642 3.991 ( -5.384 -2.643 0.000) 5.998 4.404 ( -1.958 3.386 0.000) 3.912 4.494 ( -2.085 -8.890 0.000) 9.131 4.616 ( 0.699 -2.278 0.000) 2.383 4.803 ( -1.612 -3.052 0.000) 3.451 4.898 ( -6.102 7.286 0.000) 9.504 5.095 ( 5.599 5.151 0.000) 7.608 5.227 ( -3.025 0.196 0.000) 3.031 5.286 ( -0.964 6.311 0.000) 6.384 5.348 ( 0.401 4.282 0.000) 4.300 5.430 ( 2.835 4.490 0.000) 5.310 5.693 ( 2.150 1.859 0.000) 2.842 5.808 ( 0.868 0.265 0.000) 0.908 5.942 ( 0.021 -0.464 0.000) 0.464 6.058 ( 7.412 -2.054 0.000) 7.691 6.121 ( 0.284 -0.031 0.000) 0.285 6.169 ( 4.811 -1.471 0.000) 5.031 6.263 ( -0.041 -4.606 0.000) 4.606 6.376 ( 0.420 -1.213 0.000) 1.283 6.542 ( -5.087 -7.296 0.000) 8.894 7.319 ( 0.758 0.914 0.000) 1.187 7.551 ( 1.309 -0.611 0.000) 1.445 7.645 ( -4.343 2.506 0.000) 5.014 7.832 ( -0.692 -0.088 0.000) 0.697 7.924 ( -1.046 -0.087 0.000) 1.050 7.978 ( -2.676 4.183 0.000) 4.966 8.186 ( 2.446 -1.978 0.000) 3.146 8.412 ( -6.401 -2.561 0.000) 6.895 8.490 ( -3.339 -4.177 0.000) 5.347 8.705 ( -5.257 3.654 0.000) 6.402 8.991 ( -1.379 -11.274 0.000) 11.358 9.145 ( -4.721 -5.816 0.000) 7.491 9.529 ( 2.133 -0.100 0.000) 2.136 9.661 ( -2.702 1.934 0.000) 3.323 9.752 ( -0.922 2.779 0.000) 2.928 9.813 ( -0.034 5.654 0.000) 5.654 10.146 ( 3.081 1.888 0.000) 3.613 10.234 ( 6.339 -0.494 0.000) 6.358 10.416 ( 6.894 -0.264 0.000) 6.899 10.575 ( 5.147 -5.264 0.000) 7.362 11.023 ( 9.652 7.663 0.000) 12.324 11.043 ( 7.240 5.310 0.000) 8.978 11.604 ( 6.032 -2.711 0.000) 6.613 11.746 ( 6.783 -6.297 0.000) 9.255 12.163 ( 3.450 0.044 0.000) 3.451 12.369 ( 1.942 -2.949 0.000) 3.532 12.729 ( -1.652 2.138 0.000) 2.702 12.749 ( 0.356 1.688 0.000) 1.725 13.035 ( 5.833 5.766 0.000) 8.202 13.506 ( -6.214 -0.044 0.000) 6.215 13.774 ( -4.360 -2.835 0.000) 5.201 14.062 ( -1.333 -8.836 0.000) 8.936 14.316 ( 2.024 3.000 0.000) 3.619 14.509 ( -0.848 1.875 0.000) 2.058 14.630 ( -3.909 5.503 0.000) 6.750 14.856 ( -5.554 0.728 0.000) 5.601 15.071 ( -5.811 0.920 0.000) 5.884 15.300 ( -1.281 -3.523 0.000) 3.749 15.556 ( -8.410 7.364 0.000) 11.178 16.172 ( -4.857 -3.497 0.000) 5.985 16.332 ( -1.059 -0.446 0.000) 1.149 16.441 ( 5.417 -3.910 0.000) 6.681 16.647 ( -2.980 1.909 0.000) 3.539 17.103 ( 6.315 -9.535 0.000) 11.437 17.361 ( 7.043 3.252 0.000) 7.757 17.541 ( 7.427 -2.773 0.000) 7.928 17.684 ( 2.554 0.187 0.000) 2.561 17.821 ( -3.595 1.887 0.000) 4.060 17.994 ( 2.022 7.624 0.000) 7.888 18.505 ( -1.219 -0.103 0.000) 1.223 18.637 ( 5.666 -5.039 0.000) 7.583 18.788 ( 2.758 1.588 0.000) 3.183 18.998 ( -0.360 -1.206 0.000) 1.259 19.081 ( -4.257 -2.780 0.000) 5.085 19.210 ( -0.212 -1.156 0.000) 1.175 19.449 ( -0.702 -9.582 0.000) 9.608 19.659 ( 0.032 6.749 0.000) 6.749 20.140 ( 7.533 -2.658 0.000) 7.988 20.220 ( -8.519 1.429 0.000) 8.638 20.604 ( 0.993 4.291 0.000) 4.404 20.737 ( 1.490 -2.580 0.000) 2.979 20.906 ( -0.653 6.074 0.000) 6.109 21.095 ( -4.914 2.682 0.000) 5.599 21.484 ( -4.883 -6.618 0.000) 8.225 21.645 ( 0.214 2.696 0.000) 2.705 21.893 ( 1.749 -3.843 0.000) 4.222 22.144 ( -0.824 7.040 0.000) 7.088 22.585 ( -5.372 -4.208 0.000) 6.824 ======================= Grid point 14 (10/72) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 21.301 7.100 0.000) 22.453 1.678 ( 23.803 2.294 0.000) 23.914 2.190 ( -6.089 -0.986 0.000) 6.169 2.315 ( 2.387 -3.529 0.000) 4.261 2.509 ( 4.565 -6.489 0.000) 7.934 2.681 ( 2.854 -4.435 0.000) 5.274 2.817 ( 2.435 -2.449 0.000) 3.454 2.831 ( -4.556 0.702 0.000) 4.610 2.869 ( 6.921 4.754 0.000) 8.397 2.941 ( -7.864 0.475 0.000) 7.878 3.044 ( -1.510 -0.494 0.000) 1.588 3.138 ( 0.096 -1.214 0.000) 1.218 3.223 ( -3.746 0.692 0.000) 3.810 3.291 ( 6.951 2.865 0.000) 7.518 3.354 ( 1.699 3.965 0.000) 4.314 3.367 ( -1.863 4.639 0.000) 4.999 3.474 ( -3.521 0.164 0.000) 3.524 3.652 ( 5.401 1.906 0.000) 5.728 3.788 ( -3.896 -2.649 0.000) 4.711 3.889 ( 0.815 -0.142 0.000) 0.828 3.937 ( -0.700 -1.729 0.000) 1.865 4.351 ( -2.063 1.411 0.000) 2.499 4.498 ( 1.169 -3.632 0.000) 3.815 4.625 ( 0.121 0.057 0.000) 0.134 4.765 ( -4.133 6.519 0.000) 7.718 4.819 ( -1.065 -7.472 0.000) 7.548 5.122 ( -2.101 0.870 0.000) 2.274 5.233 ( -2.699 4.135 0.000) 4.937 5.265 ( 5.464 6.101 0.000) 8.190 5.373 ( 0.759 1.931 0.000) 2.075 5.486 ( 2.747 3.104 0.000) 4.146 5.700 ( -0.829 3.535 0.000) 3.631 5.799 ( -1.302 1.274 0.000) 1.822 5.934 ( -1.361 -1.888 0.000) 2.327 6.128 ( 0.747 -0.430 0.000) 0.862 6.187 ( 5.147 -2.491 0.000) 5.718 6.239 ( -1.802 -3.265 0.000) 3.730 6.296 ( 6.640 -3.526 0.000) 7.518 6.387 ( 0.856 -2.808 0.000) 2.936 6.450 ( -3.460 -2.980 0.000) 4.566 7.350 ( 2.138 0.162 0.000) 2.144 7.533 ( -2.442 2.268 0.000) 3.333 7.624 ( 1.747 2.112 0.000) 2.741 7.811 ( -2.525 0.815 0.000) 2.653 7.883 ( -1.738 -1.946 0.000) 2.610 7.936 ( -1.772 2.611 0.000) 3.155 8.214 ( -1.473 -5.080 0.000) 5.289 8.320 ( -2.039 -0.685 0.000) 2.151 8.341 ( -8.787 0.124 0.000) 8.788 8.659 ( -1.768 1.027 0.000) 2.044 8.969 ( -1.021 -10.180 0.000) 10.232 9.057 ( -3.903 -6.086 0.000) 7.229 9.577 ( 2.916 1.379 0.000) 3.226 9.608 ( -2.217 4.286 0.000) 4.825 9.717 ( -3.150 4.297 0.000) 5.328 9.812 ( 0.451 4.273 0.000) 4.297 10.234 ( 5.190 -0.022 0.000) 5.190 10.339 ( 4.282 -0.891 0.000) 4.374 10.548 ( 6.394 -1.278 0.000) 6.521 10.657 ( 3.457 -3.307 0.000) 4.784 11.165 ( 5.542 4.514 0.000) 7.148 11.188 ( 6.489 6.148 0.000) 8.938 11.712 ( 4.892 -2.135 0.000) 5.338 11.835 ( 2.584 -3.308 0.000) 4.197 12.250 ( 5.424 0.208 0.000) 5.428 12.424 ( 3.676 -2.476 0.000) 4.432 12.677 ( -2.706 1.527 0.000) 3.107 12.812 ( 5.160 1.726 0.000) 5.441 13.143 ( 4.289 4.006 0.000) 5.868 13.320 ( -10.326 4.875 0.000) 11.419 13.769 ( 2.967 -7.055 0.000) 7.654 14.034 ( -1.593 -9.388 0.000) 9.522 14.377 ( 3.214 1.130 0.000) 3.407 14.461 ( -3.863 4.015 0.000) 5.572 14.569 ( -2.390 3.893 0.000) 4.568 14.755 ( -5.064 0.899 0.000) 5.143 14.995 ( -1.450 1.304 0.000) 1.950 15.251 ( -4.569 -3.079 0.000) 5.510 15.423 ( -4.460 5.390 0.000) 6.996 15.957 ( -13.077 -4.151 0.000) 13.720 16.407 ( 4.853 0.151 0.000) 4.855 16.509 ( 0.662 -2.898 0.000) 2.973 16.659 ( 5.409 3.046 0.000) 6.208 17.169 ( 0.055 -8.147 0.000) 8.147 17.531 ( 9.740 1.785 0.000) 9.902 17.663 ( 5.285 -1.605 0.000) 5.523 17.696 ( -1.186 5.187 0.000) 5.321 17.804 ( 2.715 -2.335 0.000) 3.581 18.057 ( 4.343 8.683 0.000) 9.709 18.444 ( -5.060 -0.234 0.000) 5.065 18.729 ( 3.815 -6.630 0.000) 7.649 18.821 ( 0.395 -1.205 0.000) 1.269 18.999 ( 0.767 -3.960 0.000) 4.034 19.025 ( -1.408 1.465 0.000) 2.032 19.184 ( -2.168 1.701 0.000) 2.756 19.425 ( -2.330 -11.529 0.000) 11.762 19.667 ( 1.150 7.097 0.000) 7.190 20.014 ( -10.748 8.776 0.000) 13.876 20.311 ( 8.602 -6.252 0.000) 10.635 20.628 ( 1.246 -1.656 0.000) 2.072 20.769 ( 1.740 1.033 0.000) 2.023 20.908 ( 0.567 2.989 0.000) 3.042 21.020 ( -2.890 2.804 0.000) 4.027 21.355 ( -8.005 -5.929 0.000) 9.961 21.677 ( 3.072 3.283 0.000) 4.497 21.910 ( -0.084 -2.325 0.000) 2.326 22.130 ( -0.468 4.371 0.000) 4.396 22.465 ( -6.754 -2.625 0.000) 7.246 ======================= Grid point 15 (11/72) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 9.306 5.538 0.000) 10.829 2.053 ( -4.052 2.646 0.000) 4.840 2.131 ( 20.226 -0.297 0.000) 20.228 2.400 ( 4.831 -4.391 0.000) 6.528 2.539 ( 0.369 -4.379 0.000) 4.394 2.703 ( -2.309 -2.422 0.000) 3.346 2.715 ( -8.463 1.148 0.000) 8.541 2.749 ( -1.373 0.377 0.000) 1.424 2.859 ( -2.130 2.253 0.000) 3.101 2.907 ( -3.743 1.546 0.000) 4.050 2.971 ( -3.080 1.086 0.000) 3.266 3.081 ( -2.459 -0.012 0.000) 2.459 3.126 ( -6.354 1.326 0.000) 6.491 3.240 ( -5.121 -3.426 0.000) 6.161 3.372 ( 3.161 -0.422 0.000) 3.189 3.416 ( 2.921 0.522 0.000) 2.967 3.562 ( 1.048 5.914 0.000) 6.006 3.631 ( -5.350 -1.262 0.000) 5.497 3.830 ( 6.138 -1.415 0.000) 6.299 3.947 ( 0.992 -4.756 0.000) 4.859 4.131 ( 22.624 2.748 0.000) 22.791 4.347 ( 1.727 0.492 0.000) 1.796 4.496 ( -2.117 -0.573 0.000) 2.193 4.618 ( -0.649 2.823 0.000) 2.897 4.669 ( -4.402 6.555 0.000) 7.895 4.791 ( -4.710 -8.103 0.000) 9.372 5.100 ( 0.602 -0.838 0.000) 1.032 5.188 ( -2.003 2.278 0.000) 3.033 5.327 ( 0.023 1.868 0.000) 1.868 5.366 ( -1.354 2.939 0.000) 3.236 5.553 ( 5.123 1.418 0.000) 5.316 5.702 ( 1.188 3.684 0.000) 3.871 5.767 ( -1.712 4.347 0.000) 4.672 5.878 ( -4.277 -1.652 0.000) 4.585 6.142 ( 0.699 -0.191 0.000) 0.725 6.192 ( -2.126 -0.312 0.000) 2.149 6.270 ( 3.281 -1.967 0.000) 3.825 6.367 ( -1.392 -4.670 0.000) 4.873 6.410 ( 3.442 -2.638 0.000) 4.336 6.443 ( 1.528 -3.271 0.000) 3.611 7.392 ( 2.224 0.984 0.000) 2.432 7.486 ( -2.568 4.347 0.000) 5.048 7.668 ( 2.120 1.624 0.000) 2.670 7.739 ( -3.682 1.922 0.000) 4.153 7.875 ( 0.887 -4.014 0.000) 4.111 7.927 ( 0.793 -0.880 0.000) 1.184 8.134 ( -4.971 -4.505 0.000) 6.709 8.158 ( -7.789 -2.451 0.000) 8.165 8.385 ( 5.288 2.757 0.000) 5.963 8.600 ( -4.369 1.198 0.000) 4.531 8.955 ( -0.258 -7.425 0.000) 7.430 8.998 ( -2.343 -5.989 0.000) 6.431 9.575 ( -0.570 4.650 0.000) 4.685 9.631 ( -1.346 3.737 0.000) 3.972 9.673 ( 2.516 3.924 0.000) 4.661 9.809 ( -1.360 2.717 0.000) 3.039 10.325 ( 4.060 -1.251 0.000) 4.249 10.392 ( 1.137 -1.455 0.000) 1.846 10.651 ( 4.174 -1.401 0.000) 4.403 10.705 ( 1.355 -2.071 0.000) 2.475 11.248 ( 3.042 4.266 0.000) 5.239 11.269 ( 2.210 4.847 0.000) 5.327 11.787 ( 3.027 -2.221 0.000) 3.754 11.853 ( -0.330 -2.733 0.000) 2.753 12.357 ( 5.340 0.629 0.000) 5.377 12.482 ( 0.957 -1.090 0.000) 1.450 12.657 ( 1.943 1.041 0.000) 2.204 12.875 ( -1.842 -2.164 0.000) 2.842 13.139 ( -0.124 5.709 0.000) 5.710 13.244 ( 0.161 5.908 0.000) 5.910 13.856 ( 5.345 -8.826 0.000) 10.318 14.000 ( -2.090 -8.992 0.000) 9.231 14.386 ( -1.556 3.126 0.000) 3.492 14.431 ( 0.141 1.924 0.000) 1.929 14.531 ( -0.771 5.504 0.000) 5.557 14.661 ( -4.714 1.053 0.000) 4.830 15.004 ( 1.591 1.051 0.000) 1.907 15.134 ( -6.217 1.354 0.000) 6.363 15.410 ( 2.927 -0.659 0.000) 3.000 15.717 ( -11.603 -3.567 0.000) 12.139 16.478 ( 2.427 0.223 0.000) 2.437 16.510 ( 0.025 0.327 0.000) 0.328 16.805 ( 8.671 0.492 0.000) 8.684 17.111 ( -5.665 -4.364 0.000) 7.151 17.647 ( 1.667 1.199 0.000) 2.053 17.688 ( 0.675 -3.106 0.000) 3.178 17.793 ( 7.909 0.215 0.000) 7.912 17.877 ( 3.781 -1.493 0.000) 4.065 18.139 ( 3.818 8.759 0.000) 9.555 18.330 ( -6.238 2.365 0.000) 6.671 18.773 ( 0.695 -6.090 0.000) 6.130 18.816 ( -0.707 -1.202 0.000) 1.395 19.023 ( 1.952 0.854 0.000) 2.131 19.044 ( 3.657 -3.810 0.000) 5.281 19.143 ( -1.897 0.980 0.000) 2.135 19.334 ( -7.335 -10.070 0.000) 12.459 19.704 ( 2.500 7.666 0.000) 8.063 19.845 ( -6.371 11.823 0.000) 13.430 20.463 ( 7.151 -8.630 0.000) 11.208 20.635 ( -0.963 -6.341 0.000) 6.414 20.803 ( 1.928 3.843 0.000) 4.300 20.902 ( -1.989 2.796 0.000) 3.431 21.001 ( 1.667 1.463 0.000) 2.218 21.198 ( -7.768 -4.592 0.000) 9.024 21.752 ( 4.354 3.125 0.000) 5.359 21.888 ( -2.181 0.621 0.000) 2.267 22.142 ( 2.069 1.121 0.000) 2.353 22.334 ( -6.777 -1.798 0.000) 7.012 ======================= Grid point 16 (12/72) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -0.251 4.084 0.000) 4.092 2.017 ( 0.251 4.084 0.000) 4.092 2.444 ( -7.011 -2.623 0.000) 7.486 2.444 ( 7.011 -2.623 0.000) 7.486 2.563 ( -4.718 -0.530 0.000) 4.747 2.563 ( 4.718 -0.530 0.000) 4.747 2.688 ( -0.968 -0.285 0.000) 1.009 2.688 ( 0.968 -0.285 0.000) 1.009 2.838 ( -5.362 4.745 0.000) 7.160 2.838 ( 5.362 4.745 0.000) 7.160 2.990 ( -6.544 -0.721 0.000) 6.584 2.990 ( 6.544 -0.721 0.000) 6.584 3.136 ( -5.225 -3.059 0.000) 6.055 3.136 ( 5.225 -3.059 0.000) 6.055 3.444 ( -2.428 0.728 0.000) 2.535 3.444 ( 2.428 0.728 0.000) 2.535 3.549 ( -1.521 2.235 0.000) 2.704 3.549 ( 1.521 2.235 0.000) 2.704 3.931 ( -3.225 -4.301 0.000) 5.376 3.931 ( 3.225 -4.301 0.000) 5.376 4.408 ( -3.801 0.430 0.000) 3.826 4.408 ( 3.801 0.430 0.000) 3.826 4.566 ( -16.805 -2.025 0.000) 16.927 4.566 ( 16.805 -2.025 0.000) 16.927 4.621 ( -0.968 4.623 0.000) 4.723 4.621 ( 0.968 4.623 0.000) 4.723 5.142 ( -2.823 -1.206 0.000) 3.069 5.142 ( 2.823 -1.206 0.000) 3.069 5.330 ( -1.479 1.551 0.000) 2.143 5.330 ( 1.479 1.551 0.000) 2.143 5.665 ( -5.250 1.856 0.000) 5.568 5.665 ( 5.250 1.856 0.000) 5.568 5.792 ( -3.968 3.314 0.000) 5.170 5.792 ( 3.968 3.314 0.000) 5.170 6.160 ( -1.239 0.445 0.000) 1.316 6.160 ( 1.239 0.445 0.000) 1.316 6.326 ( -2.570 -3.066 0.000) 4.001 6.326 ( 2.570 -3.066 0.000) 4.001 6.453 ( -0.794 -3.558 0.000) 3.645 6.453 ( 0.794 -3.558 0.000) 3.645 7.436 ( -2.461 3.055 0.000) 3.923 7.436 ( 2.461 3.055 0.000) 3.923 7.694 ( -1.151 2.037 0.000) 2.340 7.694 ( 1.151 2.037 0.000) 2.340 7.921 ( -2.552 -4.148 0.000) 4.870 7.921 ( 2.552 -4.148 0.000) 4.870 8.073 ( -0.605 -2.768 0.000) 2.833 8.073 ( 0.605 -2.768 0.000) 2.833 8.498 ( -6.022 2.231 0.000) 6.422 8.498 ( 6.022 2.231 0.000) 6.422 8.964 ( -1.182 -6.044 0.000) 6.158 8.964 ( 1.182 -6.044 0.000) 6.158 9.586 ( -1.767 4.974 0.000) 5.278 9.586 ( 1.767 4.974 0.000) 5.278 9.755 ( -4.099 2.489 0.000) 4.796 9.755 ( 4.099 2.489 0.000) 4.796 10.384 ( -1.864 -1.654 0.000) 2.492 10.384 ( 1.864 -1.654 0.000) 2.492 10.705 ( -1.416 -1.481 0.000) 2.048 10.705 ( 1.416 -1.481 0.000) 2.048 11.283 ( -0.632 4.253 0.000) 4.300 11.283 ( 0.632 4.253 0.000) 4.300 11.832 ( -1.740 -2.536 0.000) 3.075 11.832 ( 1.740 -2.536 0.000) 3.075 12.446 ( -3.781 0.571 0.000) 3.824 12.446 ( 3.781 0.571 0.000) 3.824 12.759 ( -7.380 -1.144 0.000) 7.468 12.759 ( 7.380 -1.144 0.000) 7.468 13.207 ( -4.107 5.512 0.000) 6.874 13.207 ( 4.107 5.512 0.000) 6.874 13.947 ( -3.710 -9.418 0.000) 10.123 13.947 ( 3.710 -9.418 0.000) 10.123 14.395 ( -2.346 3.710 0.000) 4.390 14.395 ( 2.346 3.710 0.000) 4.390 14.573 ( -4.228 2.818 0.000) 5.081 14.573 ( 4.228 2.818 0.000) 5.081 15.045 ( -3.039 1.770 0.000) 3.517 15.045 ( 3.039 1.770 0.000) 3.517 15.522 ( -8.353 -2.911 0.000) 8.845 15.522 ( 8.353 -2.911 0.000) 8.845 16.506 ( -0.667 0.780 0.000) 1.026 16.506 ( 0.667 0.780 0.000) 1.026 16.972 ( -8.336 -1.447 0.000) 8.461 16.972 ( 8.336 -1.447 0.000) 8.461 17.676 ( -1.540 -2.560 0.000) 2.987 17.676 ( 1.540 -2.560 0.000) 2.987 17.902 ( -2.239 -0.956 0.000) 2.434 17.902 ( 2.239 -0.956 0.000) 2.434 18.219 ( -5.059 6.693 0.000) 8.390 18.219 ( 5.059 6.693 0.000) 8.390 18.789 ( -1.475 -2.502 0.000) 2.904 18.789 ( 1.475 -2.502 0.000) 2.904 19.083 ( -2.546 -2.780 0.000) 3.769 19.083 ( 2.546 -2.780 0.000) 3.769 19.173 ( -7.754 -3.640 0.000) 8.566 19.173 ( 7.754 -3.640 0.000) 8.566 19.758 ( -3.272 9.711 0.000) 10.247 19.758 ( 3.272 9.711 0.000) 10.247 20.580 ( -4.773 -9.073 0.000) 10.252 20.580 ( 4.773 -9.073 0.000) 10.252 20.849 ( -2.867 4.684 0.000) 5.491 20.849 ( 2.867 4.684 0.000) 5.491 21.072 ( -5.256 -2.036 0.000) 5.637 21.072 ( 5.256 -2.036 0.000) 5.637 21.831 ( -3.649 2.406 0.000) 4.370 21.831 ( 3.649 2.406 0.000) 4.370 22.215 ( -5.327 -0.866 0.000) 5.397 22.215 ( 5.327 -0.866 0.000) 5.397 ======================= Grid point 22 (13/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 25.624 0.000) 25.624 1.118 ( 0.000 28.416 0.000) 28.416 1.808 ( 0.000 -1.922 0.000) 1.922 1.970 ( 0.000 20.874 0.000) 20.874 2.097 ( 0.000 -11.498 0.000) 11.498 2.427 ( 0.000 10.078 0.000) 10.078 2.621 ( 0.000 4.830 0.000) 4.830 2.696 ( 0.000 0.302 0.000) 0.302 2.815 ( 0.000 -4.644 0.000) 4.644 2.979 ( 0.000 4.016 0.000) 4.016 3.021 ( 0.000 -2.546 0.000) 2.546 3.116 ( 0.000 -7.210 0.000) 7.210 3.129 ( 0.000 -4.712 0.000) 4.712 3.386 ( 0.000 -4.839 0.000) 4.839 3.468 ( 0.000 0.445 0.000) 0.445 3.487 ( 0.000 0.894 0.000) 0.894 3.612 ( 0.000 9.659 0.000) 9.659 3.681 ( 0.000 -10.292 0.000) 10.292 3.810 ( 0.000 -8.516 0.000) 8.516 4.020 ( 0.000 5.289 0.000) 5.289 4.116 ( 0.000 -16.349 0.000) 16.349 4.201 ( 0.000 -3.519 0.000) 3.519 4.562 ( 0.000 1.454 0.000) 1.454 4.593 ( 0.000 -0.447 0.000) 0.447 4.828 ( 0.000 1.522 0.000) 1.522 5.040 ( 0.000 -4.126 0.000) 4.126 5.206 ( 0.000 12.676 0.000) 12.676 5.331 ( 0.000 4.279 0.000) 4.279 5.399 ( 0.000 4.643 0.000) 4.643 5.494 ( 0.000 0.818 0.000) 0.818 5.531 ( 0.000 0.151 0.000) 0.151 5.641 ( 0.000 4.484 0.000) 4.484 5.658 ( 0.000 -8.160 0.000) 8.160 5.861 ( 0.000 -4.252 0.000) 4.252 5.916 ( 0.000 6.027 0.000) 6.027 6.063 ( 0.000 -4.692 0.000) 4.692 6.192 ( 0.000 -1.138 0.000) 1.138 6.219 ( 0.000 2.681 0.000) 2.681 6.282 ( 0.000 -2.643 0.000) 2.643 6.432 ( 0.000 -4.173 0.000) 4.173 7.429 ( 0.000 3.851 0.000) 3.851 7.469 ( 0.000 -0.510 0.000) 0.510 7.761 ( 0.000 1.099 0.000) 1.099 7.895 ( 0.000 -0.940 0.000) 0.940 7.919 ( 0.000 2.658 0.000) 2.658 8.068 ( 0.000 -3.995 0.000) 3.995 8.142 ( 0.000 3.091 0.000) 3.091 8.337 ( 0.000 -6.750 0.000) 6.750 8.562 ( 0.000 4.374 0.000) 4.374 8.909 ( 0.000 -9.842 0.000) 9.842 9.091 ( 0.000 3.405 0.000) 3.405 9.164 ( 0.000 -1.510 0.000) 1.510 9.610 ( 0.000 -0.299 0.000) 0.299 9.631 ( 0.000 -0.840 0.000) 0.840 9.708 ( 0.000 0.288 0.000) 0.288 9.756 ( 0.000 -1.446 0.000) 1.446 10.053 ( 0.000 1.928 0.000) 1.928 10.168 ( 0.000 -2.236 0.000) 2.236 10.252 ( 0.000 1.863 0.000) 1.863 10.295 ( 0.000 -0.994 0.000) 0.994 10.958 ( 0.000 5.295 0.000) 5.295 11.049 ( 0.000 8.392 0.000) 8.392 11.143 ( 0.000 -5.269 0.000) 5.269 11.387 ( 0.000 -7.394 0.000) 7.394 12.143 ( 0.000 3.274 0.000) 3.274 12.298 ( 0.000 -3.694 0.000) 3.694 12.724 ( 0.000 0.336 0.000) 0.336 12.767 ( 0.000 -1.885 0.000) 1.885 13.105 ( 0.000 8.093 0.000) 8.093 13.390 ( 0.000 -5.795 0.000) 5.795 14.037 ( 0.000 4.186 0.000) 4.186 14.236 ( 0.000 8.164 0.000) 8.164 14.266 ( 0.000 -7.020 0.000) 7.020 14.515 ( 0.000 -5.942 0.000) 5.942 14.964 ( 0.000 3.358 0.000) 3.358 15.058 ( 0.000 -1.151 0.000) 1.151 15.133 ( 0.000 5.180 0.000) 5.180 15.292 ( 0.000 -2.850 0.000) 2.850 15.918 ( 0.000 5.281 0.000) 5.281 16.090 ( 0.000 -1.350 0.000) 1.350 16.331 ( 0.000 -2.435 0.000) 2.435 16.372 ( 0.000 -3.548 0.000) 3.548 16.637 ( 0.000 -0.536 0.000) 0.536 16.788 ( 0.000 -5.585 0.000) 5.585 17.246 ( 0.000 5.223 0.000) 5.223 17.279 ( 0.000 1.885 0.000) 1.885 17.604 ( 0.000 -1.148 0.000) 1.148 17.702 ( 0.000 -6.599 0.000) 6.599 18.046 ( 0.000 6.087 0.000) 6.087 18.332 ( 0.000 -8.150 0.000) 8.150 18.635 ( 0.000 7.936 0.000) 7.936 18.819 ( 0.000 2.330 0.000) 2.330 19.111 ( 0.000 -2.172 0.000) 2.172 19.124 ( 0.000 -1.127 0.000) 1.127 19.257 ( 0.000 1.600 0.000) 1.600 19.307 ( 0.000 -1.130 0.000) 1.130 19.708 ( 0.000 5.435 0.000) 5.435 19.953 ( 0.000 -5.980 0.000) 5.980 20.374 ( 0.000 4.200 0.000) 4.200 20.608 ( 0.000 -6.908 0.000) 6.908 20.783 ( 0.000 9.984 0.000) 9.984 21.022 ( 0.000 -2.362 0.000) 2.362 21.361 ( 0.000 1.265 0.000) 1.265 21.418 ( 0.000 -1.457 0.000) 1.457 21.676 ( 0.000 3.115 0.000) 3.115 21.806 ( 0.000 -3.283 0.000) 3.283 22.330 ( 0.000 3.229 0.000) 3.229 22.497 ( 0.000 -4.976 0.000) 4.976 ======================= Grid point 23 (14/72) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 8.611 23.110 0.000) 24.662 1.212 ( 11.412 24.707 0.000) 27.215 1.868 ( 4.862 -13.001 0.000) 13.880 2.073 ( 6.525 -5.692 0.000) 8.659 2.211 ( 14.052 17.001 0.000) 22.056 2.500 ( 5.290 7.395 0.000) 9.092 2.620 ( 1.056 6.592 0.000) 6.677 2.744 ( 4.533 0.241 0.000) 4.540 2.849 ( 3.312 -4.732 0.000) 5.776 2.942 ( -2.829 1.503 0.000) 3.203 2.992 ( -2.736 -2.756 0.000) 3.884 3.121 ( -0.044 -4.116 0.000) 4.116 3.160 ( 3.360 -2.430 0.000) 4.147 3.354 ( -3.107 -3.310 0.000) 4.540 3.446 ( -1.095 -1.480 0.000) 1.841 3.495 ( 0.108 2.089 0.000) 2.091 3.594 ( -1.197 4.968 0.000) 5.111 3.691 ( 0.017 -1.899 0.000) 1.900 3.815 ( 0.585 -8.847 0.000) 8.866 3.986 ( -3.356 2.977 0.000) 4.486 4.075 ( -6.471 -6.378 0.000) 9.086 4.187 ( 1.755 -12.923 0.000) 13.042 4.567 ( -2.751 0.688 0.000) 2.836 4.578 ( 1.186 1.468 0.000) 1.887 4.813 ( -1.566 2.043 0.000) 2.574 5.042 ( 0.817 -3.550 0.000) 3.643 5.182 ( -3.425 9.178 0.000) 9.796 5.317 ( -3.414 3.117 0.000) 4.623 5.399 ( 0.613 6.145 0.000) 6.175 5.475 ( 0.154 3.324 0.000) 3.328 5.510 ( -3.440 2.776 0.000) 4.420 5.639 ( 4.151 3.058 0.000) 5.156 5.719 ( 5.446 -4.959 0.000) 7.365 5.874 ( 2.765 -3.474 0.000) 4.440 5.972 ( 2.425 3.390 0.000) 4.168 6.104 ( 0.971 -3.184 0.000) 3.329 6.160 ( -1.055 -1.615 0.000) 1.929 6.206 ( -0.961 3.187 0.000) 3.329 6.307 ( 1.359 -4.868 0.000) 5.054 6.417 ( -1.180 -6.494 0.000) 6.600 7.384 ( -2.454 3.541 0.000) 4.308 7.500 ( 1.303 -1.811 0.000) 2.231 7.743 ( -1.574 2.590 0.000) 3.031 7.865 ( -1.929 0.138 0.000) 1.934 7.939 ( 0.738 1.482 0.000) 1.656 8.078 ( 0.858 -3.278 0.000) 3.388 8.123 ( -1.343 3.295 0.000) 3.558 8.350 ( 0.071 -8.866 0.000) 8.866 8.536 ( -1.880 5.924 0.000) 6.215 8.862 ( -5.437 -8.635 0.000) 10.205 8.962 ( -8.778 3.542 0.000) 9.465 9.116 ( -5.035 -4.982 0.000) 7.083 9.522 ( -1.151 1.954 0.000) 2.268 9.637 ( -0.070 -3.662 0.000) 3.663 9.804 ( 6.073 2.867 0.000) 6.716 9.843 ( 2.494 0.796 0.000) 2.618 10.110 ( 5.225 1.762 0.000) 5.514 10.202 ( -0.543 2.143 0.000) 2.211 10.270 ( 6.083 -2.853 0.000) 6.719 10.350 ( 4.819 -3.653 0.000) 6.047 11.025 ( 6.426 6.018 0.000) 8.804 11.045 ( 3.414 7.746 0.000) 8.465 11.333 ( 13.329 -6.006 0.000) 14.620 11.448 ( 6.281 -6.769 0.000) 9.234 12.147 ( 0.599 2.772 0.000) 2.836 12.291 ( -0.333 -3.769 0.000) 3.784 12.741 ( 1.460 0.299 0.000) 1.490 12.765 ( -0.168 -1.226 0.000) 1.237 13.128 ( 2.372 9.552 0.000) 9.842 13.426 ( 3.298 -5.832 0.000) 6.700 13.935 ( -9.037 2.612 0.000) 9.407 14.080 ( -10.820 -2.644 0.000) 11.139 14.339 ( 2.343 2.205 0.000) 3.217 14.498 ( -0.412 -3.446 0.000) 3.471 14.873 ( -6.654 6.349 0.000) 9.197 14.981 ( -5.850 0.230 0.000) 5.854 15.156 ( -0.538 1.735 0.000) 1.816 15.274 ( -1.756 -2.892 0.000) 3.383 15.856 ( -6.312 7.004 0.000) 9.428 16.108 ( 1.318 -3.119 0.000) 3.386 16.295 ( 1.079 -0.998 0.000) 1.470 16.394 ( -2.341 -3.296 0.000) 4.042 16.664 ( 2.262 -0.457 0.000) 2.308 16.835 ( 3.573 -7.578 0.000) 8.378 17.293 ( 4.080 1.914 0.000) 4.506 17.349 ( 7.213 1.061 0.000) 7.291 17.629 ( 3.182 0.903 0.000) 3.308 17.778 ( 5.560 -5.415 0.000) 7.761 18.076 ( 2.646 6.350 0.000) 6.879 18.366 ( 3.329 -8.823 0.000) 9.430 18.627 ( -1.022 7.053 0.000) 7.127 18.808 ( -1.085 0.914 0.000) 1.419 19.040 ( -5.262 -0.171 0.000) 5.265 19.128 ( 0.413 -3.752 0.000) 3.775 19.187 ( -4.631 3.350 0.000) 5.715 19.330 ( -0.263 -4.357 0.000) 4.365 19.748 ( 3.526 6.443 0.000) 7.345 19.982 ( 2.993 -4.770 0.000) 5.631 20.353 ( -2.205 4.141 0.000) 4.691 20.597 ( -1.016 -7.035 0.000) 7.108 20.782 ( 0.054 9.662 0.000) 9.662 21.003 ( -1.371 -0.661 0.000) 1.522 21.282 ( -6.390 3.591 0.000) 7.330 21.418 ( -1.355 -4.718 0.000) 4.909 21.685 ( 0.579 2.596 0.000) 2.659 21.804 ( 0.315 -3.255 0.000) 3.270 22.303 ( -1.773 5.649 0.000) 5.921 22.519 ( 0.584 -6.419 0.000) 6.446 ======================= Grid point 24 (15/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 16.374 14.641 0.000) 21.965 1.509 ( 17.569 16.198 0.000) 23.897 1.979 ( 6.565 -13.065 0.000) 14.621 2.168 ( 3.938 -15.489 0.000) 15.982 2.487 ( 2.952 9.610 0.000) 10.053 2.523 ( 4.717 3.104 0.000) 5.647 2.756 ( 10.549 9.891 0.000) 14.461 2.810 ( -0.132 -1.432 0.000) 1.438 2.902 ( 0.304 -0.273 0.000) 0.409 2.936 ( 3.239 -1.056 0.000) 3.407 2.967 ( 4.104 -3.718 0.000) 5.538 3.121 ( -1.341 1.395 0.000) 1.935 3.223 ( 2.250 -1.299 0.000) 2.598 3.296 ( -0.680 1.893 0.000) 2.012 3.433 ( -1.139 -3.648 0.000) 3.822 3.490 ( 0.013 3.502 0.000) 3.502 3.565 ( -2.449 3.538 0.000) 4.303 3.665 ( -2.232 4.491 0.000) 5.015 3.814 ( -1.889 -6.125 0.000) 6.410 3.919 ( -4.436 1.442 0.000) 4.665 3.934 ( -3.811 -3.282 0.000) 5.030 4.246 ( 3.564 -15.125 0.000) 15.539 4.492 ( -4.304 3.490 0.000) 5.541 4.602 ( 1.307 -0.623 0.000) 1.448 4.773 ( -2.349 3.469 0.000) 4.189 5.045 ( -3.378 3.992 0.000) 5.229 5.112 ( -0.894 -0.528 0.000) 1.039 5.234 ( -3.385 -0.447 0.000) 3.415 5.421 ( 0.477 6.689 0.000) 6.706 5.431 ( -2.683 4.330 0.000) 5.094 5.525 ( 3.035 4.888 0.000) 5.753 5.744 ( 5.135 3.694 0.000) 6.326 5.826 ( 4.438 -1.131 0.000) 4.580 5.915 ( -1.482 -0.096 0.000) 1.486 6.019 ( 4.851 -1.274 0.000) 5.015 6.103 ( 1.390 -4.903 0.000) 5.096 6.146 ( -0.807 0.631 0.000) 1.024 6.202 ( 0.235 0.526 0.000) 0.576 6.317 ( -0.281 -5.717 0.000) 5.724 6.396 ( -1.088 -7.084 0.000) 7.167 7.360 ( 0.053 3.440 0.000) 3.441 7.513 ( 0.575 -3.404 0.000) 3.452 7.712 ( -1.536 4.633 0.000) 4.881 7.833 ( -1.289 -0.264 0.000) 1.315 7.929 ( -1.954 1.247 0.000) 2.318 8.075 ( -1.879 4.660 0.000) 5.024 8.112 ( 0.023 -4.917 0.000) 4.917 8.318 ( -2.703 -6.321 0.000) 6.874 8.493 ( -3.721 3.936 0.000) 5.417 8.728 ( -6.065 -3.714 0.000) 7.112 8.841 ( -3.844 -1.872 0.000) 4.276 9.012 ( -5.228 -7.481 0.000) 9.127 9.550 ( 2.951 2.136 0.000) 3.643 9.653 ( 1.365 -2.104 0.000) 2.508 9.822 ( -1.441 4.243 0.000) 4.481 9.896 ( 1.294 2.354 0.000) 2.686 10.184 ( 2.406 2.402 0.000) 3.400 10.243 ( 4.516 1.359 0.000) 4.716 10.389 ( 6.417 -2.318 0.000) 6.823 10.469 ( 6.504 -5.740 0.000) 8.675 11.155 ( 7.068 6.954 0.000) 9.915 11.182 ( 8.595 7.386 0.000) 11.333 11.537 ( 7.877 -3.792 0.000) 8.743 11.619 ( 9.560 -6.843 0.000) 11.756 12.179 ( 3.018 1.849 0.000) 3.539 12.302 ( 1.840 -3.962 0.000) 4.369 12.756 ( -1.014 1.030 0.000) 1.446 12.773 ( 2.035 0.542 0.000) 2.106 13.193 ( 4.071 10.347 0.000) 11.119 13.486 ( 1.929 -2.803 0.000) 3.402 13.735 ( -11.291 -0.719 0.000) 11.314 13.892 ( -6.351 -8.867 0.000) 10.907 14.374 ( 1.931 3.703 0.000) 4.176 14.506 ( 0.545 -1.923 0.000) 1.999 14.751 ( -6.008 6.012 0.000) 8.500 14.862 ( -5.944 -0.388 0.000) 5.956 15.103 ( -4.168 2.624 0.000) 4.925 15.233 ( -2.431 -3.694 0.000) 4.422 15.711 ( -8.296 9.001 0.000) 12.241 16.057 ( -8.013 -8.391 0.000) 11.603 16.335 ( 2.625 0.855 0.000) 2.761 16.387 ( 3.103 -1.954 0.000) 3.667 16.693 ( 1.252 3.307 0.000) 3.536 16.924 ( 5.484 -9.092 0.000) 10.618 17.397 ( 6.698 1.566 0.000) 6.879 17.496 ( 6.856 -2.957 0.000) 7.467 17.717 ( 5.496 3.900 0.000) 6.739 17.848 ( 0.874 -0.204 0.000) 0.898 18.133 ( 3.465 7.383 0.000) 8.156 18.433 ( 2.591 -7.880 0.000) 8.295 18.596 ( -1.789 1.846 0.000) 2.570 18.776 ( -2.179 -3.887 0.000) 4.456 18.969 ( -1.695 1.531 0.000) 2.284 19.111 ( -2.620 3.030 0.000) 4.005 19.152 ( 1.655 -4.097 0.000) 4.418 19.295 ( -2.590 -6.473 0.000) 6.972 19.804 ( 1.696 8.142 0.000) 8.317 20.066 ( 5.387 -5.330 0.000) 7.578 20.291 ( -4.177 6.082 0.000) 7.378 20.572 ( -1.572 -6.947 0.000) 7.122 20.792 ( 1.054 7.784 0.000) 7.855 20.983 ( -0.671 0.901 0.000) 1.123 21.156 ( -6.078 3.914 0.000) 7.229 21.352 ( -5.352 -7.031 0.000) 8.836 21.700 ( 1.439 3.271 0.000) 3.573 21.827 ( 1.879 -3.411 0.000) 3.894 22.269 ( -2.054 6.299 0.000) 6.625 22.490 ( -3.479 -5.684 0.000) 6.664 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 20.261 5.314 0.000) 20.946 1.836 ( 15.517 9.214 0.000) 18.047 2.103 ( 4.927 -7.658 0.000) 9.105 2.232 ( 2.991 -7.151 0.000) 7.751 2.442 ( -0.778 0.852 0.000) 1.154 2.597 ( -0.350 -4.409 0.000) 4.423 2.796 ( 0.982 0.183 0.000) 0.999 2.834 ( -2.653 0.673 0.000) 2.737 2.939 ( 4.147 2.362 0.000) 4.772 2.976 ( -3.304 0.754 0.000) 3.389 3.046 ( -2.665 2.036 0.000) 3.354 3.093 ( 3.382 -1.472 0.000) 3.689 3.208 ( -2.774 -2.356 0.000) 3.639 3.265 ( -6.464 -4.708 0.000) 7.997 3.439 ( -0.466 4.868 0.000) 4.890 3.483 ( -5.110 6.598 0.000) 8.345 3.564 ( 10.712 6.208 0.000) 12.381 3.653 ( -0.196 -1.206 0.000) 1.222 3.742 ( -2.753 -1.260 0.000) 3.027 3.850 ( -1.438 -2.330 0.000) 2.738 3.967 ( 5.831 3.574 0.000) 6.839 4.305 ( 2.178 -9.245 0.000) 9.498 4.444 ( 0.158 1.568 0.000) 1.576 4.630 ( 1.423 -4.723 0.000) 4.932 4.737 ( -1.123 6.061 0.000) 6.165 4.938 ( -6.384 9.037 0.000) 11.064 5.096 ( -1.766 -4.547 0.000) 4.878 5.205 ( -1.118 -5.703 0.000) 5.812 5.379 ( -0.982 7.048 0.000) 7.116 5.453 ( 1.862 3.638 0.000) 4.087 5.561 ( -0.051 4.463 0.000) 4.463 5.780 ( -2.011 0.359 0.000) 2.043 5.866 ( -0.259 6.564 0.000) 6.569 5.890 ( 1.670 1.018 0.000) 1.956 6.093 ( 2.220 -4.465 0.000) 4.987 6.158 ( 3.260 0.107 0.000) 3.262 6.194 ( 3.592 -3.780 0.000) 5.214 6.208 ( 2.309 -1.568 0.000) 2.791 6.307 ( -0.319 -5.882 0.000) 5.890 6.372 ( -1.230 -5.099 0.000) 5.245 7.385 ( 2.419 3.643 0.000) 4.373 7.542 ( 2.640 -2.073 0.000) 3.357 7.684 ( -1.483 4.474 0.000) 4.713 7.814 ( -0.781 -1.193 0.000) 1.426 7.867 ( -4.146 1.434 0.000) 4.387 8.007 ( -4.906 4.614 0.000) 6.735 8.087 ( -2.753 -7.557 0.000) 8.043 8.244 ( -6.565 -5.634 0.000) 8.651 8.416 ( -1.065 6.101 0.000) 6.194 8.665 ( -1.520 -2.143 0.000) 2.627 8.801 ( -0.760 -5.283 0.000) 5.338 8.927 ( -3.456 -7.062 0.000) 7.862 9.614 ( 3.477 2.550 0.000) 4.312 9.673 ( 0.806 1.540 0.000) 1.738 9.796 ( -1.539 4.785 0.000) 5.026 9.888 ( -1.283 2.482 0.000) 2.794 10.240 ( 3.187 0.967 0.000) 3.331 10.316 ( 2.866 -1.630 0.000) 3.297 10.517 ( 6.403 -1.551 0.000) 6.588 10.580 ( 4.917 -4.475 0.000) 6.648 11.280 ( 5.438 7.004 0.000) 8.867 11.322 ( 5.342 6.982 0.000) 8.791 11.660 ( 4.977 -2.864 0.000) 5.742 11.749 ( 3.784 -5.591 0.000) 6.751 12.265 ( 5.691 1.530 0.000) 5.893 12.367 ( 4.631 -3.390 0.000) 5.740 12.724 ( -2.153 3.132 0.000) 3.800 12.820 ( 2.308 -1.010 0.000) 2.519 13.262 ( 2.323 8.443 0.000) 8.756 13.442 ( -5.754 7.958 0.000) 9.820 13.614 ( 0.486 -9.001 0.000) 9.015 13.831 ( -1.433 -11.760 0.000) 11.847 14.412 ( 1.664 2.645 0.000) 3.125 14.499 ( -1.393 -0.284 0.000) 1.422 14.659 ( -3.011 5.137 0.000) 5.954 14.764 ( -4.463 -0.278 0.000) 4.471 15.035 ( -2.084 3.028 0.000) 3.676 15.183 ( -2.646 -4.132 0.000) 4.906 15.548 ( -8.255 7.838 0.000) 11.383 15.850 ( -11.996 -7.133 0.000) 13.956 16.410 ( 4.460 0.220 0.000) 4.465 16.454 ( 3.329 -2.641 0.000) 4.249 16.740 ( 3.793 5.524 0.000) 6.700 17.008 ( 2.380 -8.597 0.000) 8.921 17.545 ( 8.461 -0.103 0.000) 8.462 17.597 ( 3.851 -3.720 0.000) 5.354 17.814 ( -3.493 4.749 0.000) 5.895 17.825 ( 5.186 4.267 0.000) 6.715 18.215 ( 4.695 7.768 0.000) 9.077 18.439 ( -1.656 0.027 0.000) 1.657 18.581 ( 0.467 -8.043 0.000) 8.057 18.740 ( -1.189 -8.028 0.000) 8.116 18.961 ( 0.484 2.658 0.000) 2.701 19.083 ( -0.598 2.016 0.000) 2.103 19.181 ( 0.841 -2.211 0.000) 2.365 19.245 ( -2.745 -6.240 0.000) 6.817 19.827 ( 1.443 9.542 0.000) 9.650 20.149 ( 0.189 -2.299 0.000) 2.307 20.215 ( -0.756 3.887 0.000) 3.960 20.538 ( -2.051 -7.549 0.000) 7.823 20.822 ( 1.916 5.076 0.000) 5.425 20.974 ( -0.457 1.619 0.000) 1.682 21.063 ( -3.502 2.375 0.000) 4.231 21.227 ( -7.134 -6.953 0.000) 9.962 21.747 ( 3.321 3.869 0.000) 5.099 21.866 ( 1.961 -2.523 0.000) 3.196 22.220 ( -2.912 5.012 0.000) 5.797 22.400 ( -5.587 -4.278 0.000) 7.037 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 7.510 4.918 0.000) 8.977 2.097 ( 8.300 1.221 0.000) 8.389 2.137 ( 8.726 1.985 0.000) 8.949 2.308 ( 4.709 -5.213 0.000) 7.025 2.490 ( 4.323 -0.585 0.000) 4.362 2.609 ( 2.897 -5.629 0.000) 6.331 2.749 ( -7.732 1.933 0.000) 7.970 2.784 ( -3.135 1.433 0.000) 3.447 2.873 ( -1.695 1.546 0.000) 2.294 2.952 ( -8.358 -0.008 0.000) 8.358 2.995 ( 1.448 3.246 0.000) 3.554 3.077 ( -3.066 -1.073 0.000) 3.248 3.133 ( -7.237 -0.841 0.000) 7.286 3.178 ( 0.915 -3.318 0.000) 3.442 3.381 ( -3.680 3.556 0.000) 5.118 3.466 ( 1.937 2.960 0.000) 3.538 3.592 ( -3.287 -1.755 0.000) 3.727 3.677 ( -0.699 5.518 0.000) 5.563 3.783 ( 4.274 -4.567 0.000) 6.254 3.841 ( 0.069 -4.968 0.000) 4.968 4.186 ( 14.896 3.127 0.000) 15.221 4.358 ( 4.559 -1.849 0.000) 4.920 4.460 ( -0.326 -0.481 0.000) 0.581 4.636 ( -1.828 -6.727 0.000) 6.971 4.733 ( 0.583 8.324 0.000) 8.344 4.826 ( -4.574 8.777 0.000) 9.897 5.060 ( -1.290 -3.807 0.000) 4.020 5.154 ( -4.063 -6.030 0.000) 7.271 5.378 ( 0.687 6.052 0.000) 6.091 5.477 ( -1.930 6.129 0.000) 6.425 5.554 ( 2.540 -1.071 0.000) 2.756 5.716 ( -3.753 -4.047 0.000) 5.519 5.882 ( 1.553 5.997 0.000) 6.195 5.915 ( 0.481 7.828 0.000) 7.843 6.132 ( 2.178 -2.024 0.000) 2.973 6.194 ( -0.640 1.371 0.000) 1.513 6.225 ( 2.691 -2.174 0.000) 3.459 6.267 ( 0.406 -4.446 0.000) 4.464 6.330 ( 2.641 -6.541 0.000) 7.054 6.359 ( -0.008 -5.097 0.000) 5.097 7.446 ( 3.770 4.682 0.000) 6.011 7.584 ( -0.614 5.076 0.000) 5.113 7.675 ( 2.284 -1.363 0.000) 2.660 7.785 ( -3.608 2.836 0.000) 4.589 7.800 ( -0.944 -3.137 0.000) 3.276 7.913 ( -4.284 -0.208 0.000) 4.289 8.026 ( -2.987 -6.186 0.000) 6.869 8.090 ( -7.536 -4.697 0.000) 8.880 8.465 ( 4.624 5.739 0.000) 7.370 8.631 ( -2.587 1.474 0.000) 2.977 8.804 ( 1.056 -7.278 0.000) 7.355 8.875 ( -2.234 -6.652 0.000) 7.018 9.662 ( 1.416 4.187 0.000) 4.420 9.713 ( 3.287 3.462 0.000) 4.774 9.754 ( -2.356 4.961 0.000) 5.492 9.857 ( -2.188 1.641 0.000) 2.735 10.300 ( 2.876 -1.040 0.000) 3.058 10.350 ( 0.702 -2.777 0.000) 2.864 10.620 ( 4.080 -1.549 0.000) 4.364 10.652 ( 2.429 -3.136 0.000) 3.966 11.358 ( 2.784 6.854 0.000) 7.398 11.385 ( 1.516 6.636 0.000) 6.807 11.730 ( 2.528 -3.496 0.000) 4.314 11.780 ( 0.003 -4.916 0.000) 4.916 12.378 ( 5.507 1.608 0.000) 5.737 12.454 ( 3.367 -1.946 0.000) 3.889 12.691 ( -0.441 2.652 0.000) 2.689 12.820 ( -2.988 -3.537 0.000) 4.630 13.283 ( 1.820 9.198 0.000) 9.377 13.388 ( -1.010 9.233 0.000) 9.288 13.669 ( 4.082 -10.566 0.000) 11.327 13.802 ( -2.041 -11.619 0.000) 11.797 14.433 ( 0.724 2.344 0.000) 2.453 14.474 ( -0.706 1.394 0.000) 1.563 14.625 ( -1.111 4.212 0.000) 4.356 14.681 ( -4.039 0.772 0.000) 4.112 15.036 ( 1.820 2.441 0.000) 3.044 15.141 ( -1.879 -1.280 0.000) 2.274 15.425 ( -3.327 2.913 0.000) 4.422 15.627 ( -10.741 -5.778 0.000) 12.196 16.484 ( 3.032 0.414 0.000) 3.060 16.509 ( 2.093 -0.489 0.000) 2.149 16.830 ( 5.259 2.409 0.000) 5.785 17.006 ( -2.410 -6.258 0.000) 6.706 17.641 ( 1.944 -0.982 0.000) 2.178 17.713 ( 4.913 1.932 0.000) 5.279 17.749 ( -0.067 0.317 0.000) 0.324 17.893 ( 1.181 0.209 0.000) 1.199 18.295 ( 3.389 7.508 0.000) 8.237 18.397 ( -2.380 5.467 0.000) 5.963 18.613 ( 2.857 -10.255 0.000) 10.645 18.722 ( -1.291 -8.818 0.000) 8.912 18.991 ( 2.827 1.830 0.000) 3.368 19.085 ( 1.020 1.453 0.000) 1.775 19.159 ( -3.559 0.399 0.000) 3.582 19.191 ( -2.494 -4.542 0.000) 5.181 19.874 ( 3.478 10.203 0.000) 10.779 20.062 ( -5.806 11.111 0.000) 12.537 20.287 ( 5.248 -9.733 0.000) 11.058 20.485 ( -3.748 -9.535 0.000) 10.246 20.863 ( 2.383 3.207 0.000) 3.995 20.958 ( -1.522 1.877 0.000) 2.417 21.021 ( -0.806 0.623 0.000) 1.019 21.102 ( -5.330 -4.838 0.000) 7.198 21.819 ( 3.892 3.647 0.000) 5.333 21.895 ( 0.800 -0.139 0.000) 0.812 22.174 ( -1.229 2.318 0.000) 2.624 22.288 ( -5.764 -3.063 0.000) 6.527 ======================= Grid point 27 (18/72) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -0.668 4.763 0.000) 4.810 2.105 ( 0.668 4.763 0.000) 4.810 2.381 ( -3.631 -3.729 0.000) 5.205 2.381 ( 3.631 -3.729 0.000) 5.205 2.566 ( -5.195 0.739 0.000) 5.247 2.566 ( 5.195 0.739 0.000) 5.247 2.683 ( -3.542 -0.576 0.000) 3.588 2.683 ( 3.542 -0.576 0.000) 3.588 2.904 ( -5.097 1.998 0.000) 5.474 2.904 ( 5.097 1.998 0.000) 5.474 2.974 ( -6.205 -0.736 0.000) 6.248 2.974 ( 6.205 -0.736 0.000) 6.248 3.132 ( -5.227 2.445 0.000) 5.771 3.132 ( 5.227 2.445 0.000) 5.771 3.413 ( -5.327 -3.078 0.000) 6.152 3.413 ( 5.327 -3.078 0.000) 6.152 3.619 ( -4.091 4.441 0.000) 6.038 3.619 ( 4.091 4.441 0.000) 6.038 3.835 ( -1.183 -5.538 0.000) 5.663 3.835 ( 1.183 -5.538 0.000) 5.663 4.392 ( -5.862 -1.558 0.000) 6.065 4.392 ( 5.862 -1.558 0.000) 6.065 4.522 ( -9.670 -1.829 0.000) 9.841 4.522 ( 9.670 -1.829 0.000) 9.841 4.762 ( -2.479 8.997 0.000) 9.333 4.762 ( 2.479 8.997 0.000) 9.333 5.076 ( -3.077 -5.370 0.000) 6.189 5.076 ( 3.077 -5.370 0.000) 6.189 5.414 ( -3.057 6.522 0.000) 7.203 5.414 ( 3.057 6.522 0.000) 7.203 5.637 ( -4.593 -3.932 0.000) 6.046 5.637 ( 4.593 -3.932 0.000) 6.046 5.909 ( -1.014 7.277 0.000) 7.347 5.909 ( 1.014 7.277 0.000) 7.347 6.172 ( -1.766 0.888 0.000) 1.977 6.172 ( 1.766 0.888 0.000) 1.977 6.257 ( -1.031 -3.460 0.000) 3.611 6.257 ( 1.031 -3.460 0.000) 3.611 6.361 ( -0.358 -5.980 0.000) 5.991 6.361 ( 0.358 -5.980 0.000) 5.991 7.524 ( -4.164 6.177 0.000) 7.450 7.524 ( 4.164 6.177 0.000) 7.450 7.732 ( -2.121 0.673 0.000) 2.226 7.732 ( 2.121 0.673 0.000) 2.226 7.829 ( -4.396 -4.221 0.000) 6.094 7.829 ( 4.396 -4.221 0.000) 6.094 8.002 ( -1.318 -4.418 0.000) 4.611 8.002 ( 1.318 -4.418 0.000) 4.611 8.560 ( -4.692 4.255 0.000) 6.334 8.560 ( 4.692 4.255 0.000) 6.334 8.835 ( -1.942 -7.036 0.000) 7.300 8.835 ( 1.942 -7.036 0.000) 7.300 9.695 ( -2.270 6.057 0.000) 6.469 9.695 ( 2.270 6.057 0.000) 6.469 9.798 ( -3.887 1.426 0.000) 4.140 9.798 ( 3.887 1.426 0.000) 4.140 10.343 ( -1.444 -2.354 0.000) 2.762 10.343 ( 1.444 -2.354 0.000) 2.762 10.668 ( -0.856 -2.120 0.000) 2.287 10.668 ( 0.856 -2.120 0.000) 2.287 11.391 ( -0.716 6.599 0.000) 6.638 11.391 ( 0.716 6.599 0.000) 6.638 11.765 ( -1.290 -4.321 0.000) 4.510 11.765 ( 1.290 -4.321 0.000) 4.510 12.460 ( -2.600 0.792 0.000) 2.718 12.460 ( 2.600 0.792 0.000) 2.718 12.734 ( -4.557 -1.297 0.000) 4.738 12.734 ( 4.557 -1.297 0.000) 4.738 13.345 ( -3.503 9.045 0.000) 9.699 13.345 ( 3.503 9.045 0.000) 9.699 13.747 ( -3.617 -11.378 0.000) 11.939 13.747 ( 3.617 -11.378 0.000) 11.939 14.455 ( -1.499 2.474 0.000) 2.893 14.455 ( 1.499 2.474 0.000) 2.893 14.624 ( -1.555 2.186 0.000) 2.683 14.624 ( 1.555 2.186 0.000) 2.683 15.089 ( -3.355 2.660 0.000) 4.281 15.089 ( 3.355 2.660 0.000) 4.281 15.457 ( -6.257 -3.570 0.000) 7.204 15.457 ( 6.257 -3.570 0.000) 7.204 16.522 ( -0.773 0.810 0.000) 1.119 16.522 ( 0.773 0.810 0.000) 1.119 16.931 ( -4.953 -2.510 0.000) 5.553 16.931 ( 4.953 -2.510 0.000) 5.553 17.678 ( -2.337 2.968 0.000) 3.778 17.678 ( 2.337 2.968 0.000) 3.778 17.859 ( -4.653 -3.684 0.000) 5.935 17.859 ( 4.653 -3.684 0.000) 5.935 18.350 ( -2.580 6.941 0.000) 7.405 18.350 ( 2.580 6.941 0.000) 7.405 18.678 ( -3.268 -8.575 0.000) 9.176 18.678 ( 3.268 -8.575 0.000) 9.176 19.065 ( -4.484 1.365 0.000) 4.687 19.065 ( 4.484 1.365 0.000) 4.687 19.136 ( -2.967 -1.208 0.000) 3.204 19.136 ( 2.967 -1.208 0.000) 3.204 19.957 ( -4.983 11.193 0.000) 12.252 19.957 ( 4.983 11.193 0.000) 12.252 20.393 ( -5.530 -10.903 0.000) 12.226 20.393 ( 5.530 -10.903 0.000) 12.226 20.913 ( -2.769 2.195 0.000) 3.533 20.913 ( 2.769 2.195 0.000) 3.533 21.033 ( -1.965 -1.710 0.000) 2.605 21.033 ( 1.965 -1.710 0.000) 2.605 21.882 ( -2.253 2.592 0.000) 3.434 21.882 ( 2.253 2.592 0.000) 3.434 22.194 ( -3.416 -1.151 0.000) 3.605 22.194 ( 3.416 -1.151 0.000) 3.605 ======================= Grid point 33 (19/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 -21.962 0.000) 21.962 1.474 ( 0.000 21.962 0.000) 21.962 1.623 ( 0.000 -25.691 0.000) 25.691 1.623 ( 0.000 25.691 0.000) 25.691 2.570 ( 0.000 -0.925 0.000) 0.925 2.570 ( 0.000 0.925 0.000) 0.925 2.714 ( 0.000 -1.646 0.000) 1.646 2.714 ( 0.000 1.646 0.000) 1.646 2.815 ( 0.000 -21.365 0.000) 21.365 2.815 ( 0.000 21.365 0.000) 21.365 2.985 ( 0.000 -0.297 0.000) 0.297 2.985 ( 0.000 0.297 0.000) 0.297 3.183 ( 0.000 -9.865 0.000) 9.865 3.183 ( 0.000 9.865 0.000) 9.865 3.461 ( 0.000 -1.461 0.000) 1.461 3.461 ( 0.000 1.461 0.000) 1.461 3.670 ( 0.000 -5.541 0.000) 5.541 3.670 ( 0.000 5.541 0.000) 5.541 3.843 ( 0.000 -13.242 0.000) 13.242 3.843 ( 0.000 13.242 0.000) 13.242 4.120 ( 0.000 -5.011 0.000) 5.011 4.120 ( 0.000 5.011 0.000) 5.011 4.584 ( 0.000 -0.638 0.000) 0.638 4.584 ( 0.000 0.638 0.000) 0.638 4.923 ( 0.000 -7.368 0.000) 7.368 4.923 ( 0.000 7.368 0.000) 7.368 5.369 ( 0.000 -1.523 0.000) 1.523 5.369 ( 0.000 1.523 0.000) 1.523 5.492 ( 0.000 -8.783 0.000) 8.783 5.492 ( 0.000 8.783 0.000) 8.783 5.522 ( 0.000 -1.199 0.000) 1.199 5.522 ( 0.000 1.199 0.000) 1.199 5.755 ( 0.000 -6.851 0.000) 6.851 5.755 ( 0.000 6.851 0.000) 6.851 5.991 ( 0.000 -2.988 0.000) 2.988 5.991 ( 0.000 2.988 0.000) 2.988 6.196 ( 0.000 -1.828 0.000) 1.828 6.196 ( 0.000 1.828 0.000) 1.828 6.339 ( 0.000 -5.465 0.000) 5.465 6.339 ( 0.000 5.465 0.000) 5.465 7.463 ( 0.000 -0.349 0.000) 0.349 7.463 ( 0.000 0.349 0.000) 0.349 7.835 ( 0.000 -5.207 0.000) 5.207 7.835 ( 0.000 5.207 0.000) 5.207 7.985 ( 0.000 -4.374 0.000) 4.374 7.985 ( 0.000 4.374 0.000) 4.374 8.214 ( 0.000 -5.107 0.000) 5.107 8.214 ( 0.000 5.107 0.000) 5.107 8.716 ( 0.000 -10.305 0.000) 10.305 8.716 ( 0.000 10.305 0.000) 10.305 9.134 ( 0.000 -1.667 0.000) 1.667 9.134 ( 0.000 1.667 0.000) 1.667 9.616 ( 0.000 -0.727 0.000) 0.727 9.616 ( 0.000 0.727 0.000) 0.727 9.726 ( 0.000 -1.530 0.000) 1.530 9.726 ( 0.000 1.530 0.000) 1.530 10.110 ( 0.000 -3.619 0.000) 3.619 10.110 ( 0.000 3.619 0.000) 3.619 10.278 ( 0.000 -1.026 0.000) 1.026 10.278 ( 0.000 1.026 0.000) 1.026 11.050 ( 0.000 -4.848 0.000) 4.848 11.050 ( 0.000 4.848 0.000) 4.848 11.223 ( 0.000 -9.687 0.000) 9.687 11.223 ( 0.000 9.687 0.000) 9.687 12.219 ( 0.000 -4.501 0.000) 4.501 12.219 ( 0.000 4.501 0.000) 4.501 12.738 ( 0.000 -1.186 0.000) 1.186 12.738 ( 0.000 1.186 0.000) 1.186 13.259 ( 0.000 -8.019 0.000) 8.019 13.259 ( 0.000 8.019 0.000) 8.019 14.137 ( 0.000 -6.466 0.000) 6.466 14.137 ( 0.000 6.466 0.000) 6.466 14.387 ( 0.000 -7.710 0.000) 7.710 14.387 ( 0.000 7.710 0.000) 7.710 15.023 ( 0.000 -2.673 0.000) 2.673 15.023 ( 0.000 2.673 0.000) 2.673 15.224 ( 0.000 -4.399 0.000) 4.399 15.224 ( 0.000 4.399 0.000) 4.399 16.023 ( 0.000 -5.454 0.000) 5.454 16.023 ( 0.000 5.454 0.000) 5.454 16.322 ( 0.000 -1.481 0.000) 1.481 16.322 ( 0.000 1.481 0.000) 1.481 16.682 ( 0.000 -4.870 0.000) 4.870 16.682 ( 0.000 4.870 0.000) 4.870 17.300 ( 0.000 -0.401 0.000) 0.401 17.300 ( 0.000 0.401 0.000) 0.401 17.615 ( 0.000 -2.660 0.000) 2.660 17.615 ( 0.000 2.660 0.000) 2.660 18.178 ( 0.000 -7.974 0.000) 7.974 18.178 ( 0.000 7.974 0.000) 7.974 18.774 ( 0.000 -6.145 0.000) 6.145 18.774 ( 0.000 6.145 0.000) 6.145 19.105 ( 0.000 -0.848 0.000) 0.848 19.105 ( 0.000 0.848 0.000) 0.848 19.284 ( 0.000 -1.366 0.000) 1.366 19.284 ( 0.000 1.366 0.000) 1.366 19.829 ( 0.000 -7.040 0.000) 7.040 19.829 ( 0.000 7.040 0.000) 7.040 20.478 ( 0.000 -6.685 0.000) 6.685 20.478 ( 0.000 6.685 0.000) 6.685 20.940 ( 0.000 -6.543 0.000) 6.543 20.940 ( 0.000 6.543 0.000) 6.543 21.388 ( 0.000 -1.633 0.000) 1.633 21.388 ( 0.000 1.633 0.000) 1.633 21.740 ( 0.000 -3.629 0.000) 3.629 21.740 ( 0.000 3.629 0.000) 3.629 22.404 ( 0.000 -4.655 0.000) 4.655 22.404 ( 0.000 4.655 0.000) 4.655 ======================= Grid point 35 (20/72) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 5.593 -19.192 0.000) 19.991 1.534 ( 5.593 19.192 0.000) 19.991 1.682 ( 6.120 -23.450 0.000) 24.236 1.682 ( 6.120 23.450 0.000) 24.236 2.577 ( 0.693 -4.540 0.000) 4.592 2.577 ( 0.693 4.540 0.000) 4.592 2.763 ( 3.637 -2.380 0.000) 4.347 2.763 ( 3.637 2.380 0.000) 4.347 2.874 ( 5.811 -18.218 0.000) 19.122 2.874 ( 5.811 18.218 0.000) 19.122 2.959 ( -1.826 -1.108 0.000) 2.136 2.959 ( -1.826 1.108 0.000) 2.136 3.221 ( 3.160 -8.542 0.000) 9.108 3.221 ( 3.160 8.542 0.000) 9.108 3.452 ( -0.402 -3.293 0.000) 3.317 3.452 ( -0.402 3.293 0.000) 3.317 3.663 ( -0.608 -5.900 0.000) 5.931 3.663 ( -0.608 5.900 0.000) 5.931 3.857 ( 0.786 -12.507 0.000) 12.532 3.857 ( 0.786 12.507 0.000) 12.532 4.061 ( -4.972 -3.927 0.000) 6.336 4.061 ( -4.972 3.927 0.000) 6.336 4.581 ( -0.692 -1.058 0.000) 1.264 4.581 ( -0.692 1.058 0.000) 1.264 4.924 ( 0.197 -7.990 0.000) 7.992 4.924 ( 0.197 7.990 0.000) 7.992 5.308 ( -5.246 -3.720 0.000) 6.432 5.308 ( -5.246 3.720 0.000) 6.432 5.494 ( -1.472 -1.853 0.000) 2.366 5.494 ( -1.472 1.853 0.000) 2.366 5.581 ( 5.862 -7.408 0.000) 9.447 5.581 ( 5.862 7.408 0.000) 9.447 5.766 ( 2.974 -7.299 0.000) 7.882 5.766 ( 2.974 7.299 0.000) 7.882 6.039 ( 2.660 -3.314 0.000) 4.249 6.039 ( 2.660 3.314 0.000) 4.249 6.181 ( -1.094 -3.914 0.000) 4.064 6.181 ( -1.094 3.914 0.000) 4.064 6.317 ( -1.876 -4.847 0.000) 5.198 6.317 ( -1.876 4.847 0.000) 5.198 7.448 ( -1.169 -3.302 0.000) 3.503 7.448 ( -1.169 3.302 0.000) 3.503 7.825 ( -1.045 -4.516 0.000) 4.636 7.825 ( -1.045 4.516 0.000) 4.636 7.992 ( 0.457 -4.368 0.000) 4.392 7.992 ( 0.457 4.368 0.000) 4.392 8.210 ( -0.282 -5.828 0.000) 5.834 8.210 ( -0.282 5.828 0.000) 5.834 8.687 ( -3.107 -9.477 0.000) 9.973 8.687 ( -3.107 9.477 0.000) 9.973 9.031 ( -8.275 -4.008 0.000) 9.194 9.031 ( -8.275 4.008 0.000) 9.194 9.571 ( -0.487 -3.221 0.000) 3.258 9.571 ( -0.487 3.221 0.000) 3.258 9.842 ( 5.551 -1.025 0.000) 5.645 9.842 ( 5.551 1.025 0.000) 5.645 10.167 ( 5.031 -3.978 0.000) 6.413 10.167 ( 5.031 3.978 0.000) 6.413 10.286 ( 1.831 -3.251 0.000) 3.731 10.286 ( 1.831 3.251 0.000) 3.731 11.111 ( 5.912 -2.092 0.000) 6.271 11.111 ( 5.912 2.092 0.000) 6.271 11.320 ( 9.160 -5.337 0.000) 10.601 11.320 ( 9.160 5.337 0.000) 10.601 12.215 ( -0.154 -4.187 0.000) 4.190 12.215 ( -0.154 4.187 0.000) 4.190 12.748 ( 1.013 -0.603 0.000) 1.179 12.748 ( 1.013 0.603 0.000) 1.179 13.296 ( 3.624 -8.206 0.000) 8.970 13.296 ( 3.624 8.206 0.000) 8.970 14.003 ( -11.765 -4.540 0.000) 12.611 14.003 ( -11.765 4.540 0.000) 12.611 14.416 ( 1.987 -4.978 0.000) 5.360 14.416 ( 1.987 4.978 0.000) 5.360 14.957 ( -5.855 -2.860 0.000) 6.516 14.957 ( -5.855 2.860 0.000) 6.516 15.212 ( -1.543 -3.599 0.000) 3.916 15.212 ( -1.543 3.599 0.000) 3.916 15.994 ( -3.316 -7.565 0.000) 8.260 15.994 ( -3.316 7.565 0.000) 8.260 16.331 ( 0.846 -3.405 0.000) 3.509 16.331 ( 0.846 3.405 0.000) 3.509 16.710 ( 2.662 -5.191 0.000) 5.834 16.710 ( 2.662 5.191 0.000) 5.834 17.336 ( 3.986 -2.092 0.000) 4.501 17.336 ( 3.986 2.092 0.000) 4.501 17.683 ( 6.008 -4.445 0.000) 7.474 17.683 ( 6.008 4.445 0.000) 7.474 18.208 ( 2.910 -7.893 0.000) 8.412 18.208 ( 2.910 7.893 0.000) 8.412 18.755 ( -2.461 -5.838 0.000) 6.336 18.755 ( -2.461 5.838 0.000) 6.336 19.066 ( -2.511 -2.719 0.000) 3.701 19.066 ( -2.511 2.719 0.000) 3.701 19.256 ( -2.901 -3.797 0.000) 4.779 19.256 ( -2.901 3.797 0.000) 4.779 19.873 ( 3.911 -6.608 0.000) 7.678 19.873 ( 3.911 6.608 0.000) 7.678 20.462 ( -1.527 -7.053 0.000) 7.217 20.462 ( -1.527 7.053 0.000) 7.217 20.937 ( -0.290 -6.318 0.000) 6.325 20.937 ( -0.290 6.318 0.000) 6.325 21.345 ( -4.325 -3.364 0.000) 5.480 21.345 ( -4.325 3.364 0.000) 5.480 21.741 ( 0.389 -3.330 0.000) 3.353 21.741 ( 0.389 3.330 0.000) 3.353 22.406 ( -0.210 -5.738 0.000) 5.742 22.406 ( -0.210 5.738 0.000) 5.742 ======================= Grid point 37 (21/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 8.391 -14.283 0.000) 16.566 1.667 ( 8.391 14.283 0.000) 16.566 1.854 ( 11.249 -14.980 0.000) 18.733 1.854 ( 11.249 14.980 0.000) 18.733 2.572 ( -2.038 -2.016 0.000) 2.867 2.572 ( -2.038 2.016 0.000) 2.867 2.807 ( 0.933 -1.860 0.000) 2.081 2.807 ( 0.933 1.860 0.000) 2.081 2.936 ( 1.248 -0.616 0.000) 1.392 2.936 ( 1.248 0.616 0.000) 1.392 3.030 ( 7.754 -11.165 0.000) 13.593 3.030 ( 7.754 11.165 0.000) 13.593 3.246 ( -2.062 -5.455 0.000) 5.831 3.246 ( -2.062 5.455 0.000) 5.831 3.483 ( 3.619 -4.777 0.000) 5.993 3.483 ( 3.619 4.777 0.000) 5.993 3.648 ( -1.012 -6.133 0.000) 6.216 3.648 ( -1.012 6.133 0.000) 6.216 3.834 ( -3.304 -7.337 0.000) 8.047 3.834 ( -3.304 7.337 0.000) 8.047 4.006 ( 0.933 -8.571 0.000) 8.622 4.006 ( 0.933 8.571 0.000) 8.622 4.552 ( -2.125 -3.505 0.000) 4.099 4.552 ( -2.125 3.505 0.000) 4.099 4.932 ( 0.462 -10.360 0.000) 10.370 4.932 ( 0.462 10.360 0.000) 10.370 5.191 ( -6.222 -4.237 0.000) 7.528 5.191 ( -6.222 4.237 0.000) 7.528 5.476 ( -0.478 -0.952 0.000) 1.065 5.476 ( -0.478 0.952 0.000) 1.065 5.665 ( 2.569 -9.713 0.000) 10.047 5.665 ( 2.569 9.713 0.000) 10.047 5.885 ( 7.949 -6.598 0.000) 10.331 5.885 ( 7.949 6.598 0.000) 10.331 6.034 ( -2.372 -2.662 0.000) 3.566 6.034 ( -2.372 2.662 0.000) 3.566 6.180 ( 0.736 -5.303 0.000) 5.354 6.180 ( 0.736 5.303 0.000) 5.354 6.286 ( -1.072 -5.173 0.000) 5.282 6.286 ( -1.072 5.173 0.000) 5.282 7.436 ( 0.336 -4.466 0.000) 4.478 7.436 ( 0.336 4.466 0.000) 4.478 7.799 ( -1.499 -3.760 0.000) 4.047 7.799 ( -1.499 3.760 0.000) 4.047 7.987 ( -1.323 -5.234 0.000) 5.398 7.987 ( -1.323 5.234 0.000) 5.398 8.198 ( -1.470 -6.459 0.000) 6.624 8.198 ( -1.470 6.459 0.000) 6.624 8.604 ( -4.747 -7.238 0.000) 8.656 8.604 ( -4.747 7.238 0.000) 8.656 8.891 ( -5.565 -5.130 0.000) 7.568 8.891 ( -5.565 5.130 0.000) 7.568 9.601 ( 2.892 -3.120 0.000) 4.254 9.601 ( 2.892 3.120 0.000) 4.254 9.891 ( 0.318 -2.556 0.000) 2.575 9.891 ( 0.318 2.556 0.000) 2.575 10.239 ( 2.321 -2.697 0.000) 3.559 10.239 ( 2.321 2.697 0.000) 3.559 10.382 ( 7.176 -2.843 0.000) 7.718 10.382 ( 7.176 2.843 0.000) 7.718 11.250 ( 7.719 -1.518 0.000) 7.867 11.250 ( 7.719 1.518 0.000) 7.867 11.516 ( 9.656 -2.929 0.000) 10.090 11.516 ( 9.656 2.929 0.000) 10.090 12.230 ( 2.240 -3.527 0.000) 4.178 12.230 ( 2.240 3.527 0.000) 4.178 12.771 ( 1.158 -0.578 0.000) 1.294 12.771 ( 1.158 0.578 0.000) 1.294 13.380 ( 4.391 -8.646 0.000) 9.698 13.380 ( 4.391 8.646 0.000) 9.698 13.764 ( -11.345 -4.230 0.000) 12.108 13.764 ( -11.345 4.230 0.000) 12.108 14.449 ( 1.397 -3.909 0.000) 4.152 14.449 ( 1.397 3.909 0.000) 4.152 14.834 ( -6.270 -2.890 0.000) 6.904 14.834 ( -6.270 2.890 0.000) 6.904 15.164 ( -3.251 -3.678 0.000) 4.909 15.164 ( -3.251 3.678 0.000) 4.909 15.885 ( -8.011 -9.576 0.000) 12.485 15.885 ( -8.011 9.576 0.000) 12.485 16.357 ( 2.240 -1.423 0.000) 2.654 16.357 ( 2.240 1.423 0.000) 2.654 16.780 ( 4.432 -6.248 0.000) 7.660 16.780 ( 4.432 6.248 0.000) 7.660 17.438 ( 5.907 -2.917 0.000) 6.588 17.438 ( 5.907 2.917 0.000) 6.588 17.802 ( 5.502 -4.339 0.000) 7.007 17.802 ( 5.502 4.339 0.000) 7.007 18.276 ( 3.865 -8.198 0.000) 9.063 18.276 ( 3.865 8.198 0.000) 9.063 18.674 ( -5.274 -5.772 0.000) 7.819 18.674 ( -5.274 5.772 0.000) 7.819 19.045 ( 0.063 -5.432 0.000) 5.433 19.045 ( 0.063 5.432 0.000) 5.433 19.196 ( -2.418 -4.615 0.000) 5.210 19.196 ( -2.418 4.615 0.000) 5.210 19.948 ( 3.417 -7.199 0.000) 7.969 19.948 ( 3.417 7.199 0.000) 7.969 20.427 ( -2.095 -8.054 0.000) 8.322 20.427 ( -2.095 8.054 0.000) 8.322 20.932 ( -0.188 -6.018 0.000) 6.021 20.932 ( -0.188 6.018 0.000) 6.021 21.239 ( -6.209 -5.094 0.000) 8.032 21.239 ( -6.209 5.094 0.000) 8.032 21.763 ( 1.960 -3.445 0.000) 3.964 21.763 ( 1.960 3.445 0.000) 3.964 22.382 ( -2.527 -5.924 0.000) 6.440 22.382 ( -2.527 5.924 0.000) 6.440 ======================= Grid point 39 (22/72) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 12.286 -7.796 0.000) 14.550 1.866 ( 12.286 7.796 0.000) 14.550 2.076 ( 10.540 -7.672 0.000) 13.037 2.076 ( 10.540 7.672 0.000) 13.037 2.508 ( -3.102 -4.872 0.000) 5.775 2.508 ( -3.102 4.872 0.000) 5.775 2.823 ( 0.126 -1.844 0.000) 1.849 2.823 ( 0.126 1.844 0.000) 1.849 2.961 ( 1.722 -1.070 0.000) 2.027 2.961 ( 1.722 1.070 0.000) 2.027 3.107 ( -4.895 -1.911 0.000) 5.255 3.107 ( -4.895 1.911 0.000) 5.255 3.174 ( -1.069 -2.654 0.000) 2.861 3.174 ( -1.069 2.654 0.000) 2.861 3.527 ( 0.248 -3.961 0.000) 3.969 3.527 ( 0.248 3.961 0.000) 3.969 3.615 ( -1.941 -4.381 0.000) 4.791 3.615 ( -1.941 4.381 0.000) 4.791 3.794 ( -0.666 -4.535 0.000) 4.583 3.794 ( -0.666 4.535 0.000) 4.583 4.096 ( 7.851 -10.691 0.000) 13.265 4.096 ( 7.851 10.691 0.000) 13.265 4.520 ( -0.729 -5.580 0.000) 5.627 4.520 ( -0.729 5.580 0.000) 5.627 4.927 ( -1.284 -11.354 0.000) 11.427 4.927 ( -1.284 11.354 0.000) 11.427 5.093 ( -3.802 -6.589 0.000) 7.607 5.093 ( -3.802 6.589 0.000) 7.607 5.472 ( 0.158 -1.826 0.000) 1.833 5.472 ( 0.158 1.826 0.000) 1.833 5.671 ( -2.068 -7.721 0.000) 7.993 5.671 ( -2.068 7.721 0.000) 7.993 5.969 ( 0.337 -5.241 0.000) 5.252 5.969 ( 0.337 5.241 0.000) 5.252 6.064 ( 6.127 -7.460 0.000) 9.653 6.064 ( 6.127 7.460 0.000) 9.653 6.195 ( 0.963 -4.247 0.000) 4.354 6.195 ( 0.963 4.247 0.000) 4.354 6.273 ( -0.495 -5.081 0.000) 5.105 6.273 ( -0.495 5.081 0.000) 5.105 7.470 ( 3.156 -4.886 0.000) 5.816 7.470 ( 3.156 4.886 0.000) 5.816 7.769 ( -1.665 -3.757 0.000) 4.110 7.769 ( -1.665 3.757 0.000) 4.110 7.938 ( -3.573 -6.160 0.000) 7.121 7.938 ( -3.573 6.160 0.000) 7.121 8.127 ( -6.069 -6.534 0.000) 8.918 8.127 ( -6.069 6.534 0.000) 8.918 8.550 ( -0.162 -7.831 0.000) 7.833 8.550 ( -0.162 7.831 0.000) 7.833 8.815 ( -2.777 -4.520 0.000) 5.305 8.815 ( -2.777 4.520 0.000) 5.305 9.662 ( 3.194 -2.141 0.000) 3.845 9.662 ( 3.194 2.141 0.000) 3.845 9.880 ( -1.222 -3.206 0.000) 3.431 9.880 ( -1.222 3.206 0.000) 3.431 10.276 ( 1.663 -2.539 0.000) 3.035 10.276 ( 1.663 2.539 0.000) 3.035 10.515 ( 6.230 -1.857 0.000) 6.501 10.515 ( 6.230 1.857 0.000) 6.501 11.381 ( 5.435 -2.108 0.000) 5.829 11.381 ( 5.435 2.108 0.000) 5.829 11.653 ( 4.475 -3.321 0.000) 5.573 11.653 ( 4.475 3.321 0.000) 5.573 12.307 ( 5.424 -2.858 0.000) 6.131 12.307 ( 5.424 2.858 0.000) 6.131 12.782 ( -0.408 -2.839 0.000) 2.868 12.782 ( -0.408 2.839 0.000) 2.868 13.436 ( 1.216 -9.593 0.000) 9.670 13.436 ( 1.216 9.593 0.000) 9.670 13.619 ( -3.366 -10.549 0.000) 11.073 13.619 ( -3.366 10.549 0.000) 11.073 14.466 ( 0.372 -2.779 0.000) 2.804 14.466 ( 0.372 2.779 0.000) 2.804 14.736 ( -3.726 -2.875 0.000) 4.706 14.736 ( -3.726 2.875 0.000) 4.706 15.103 ( -2.440 -4.186 0.000) 4.845 15.103 ( -2.440 4.186 0.000) 4.845 15.702 ( -10.343 -8.441 0.000) 13.350 15.702 ( -10.343 8.441 0.000) 13.350 16.420 ( 4.005 -1.015 0.000) 4.132 16.420 ( 4.005 1.015 0.000) 4.132 16.860 ( 3.341 -7.272 0.000) 8.003 16.860 ( 3.341 7.272 0.000) 8.003 17.550 ( 5.769 -1.207 0.000) 5.894 17.550 ( 5.769 1.207 0.000) 5.894 17.870 ( 1.157 -0.946 0.000) 1.494 17.870 ( 1.157 0.946 0.000) 1.494 18.355 ( 4.405 -8.001 0.000) 9.133 18.355 ( 4.405 8.001 0.000) 9.133 18.583 ( -3.699 -7.360 0.000) 8.237 18.583 ( -3.699 7.360 0.000) 8.237 19.044 ( -0.211 -5.067 0.000) 5.071 19.044 ( -0.211 5.067 0.000) 5.071 19.177 ( -0.063 -2.375 0.000) 2.376 19.177 ( -0.063 2.375 0.000) 2.376 20.005 ( 2.829 -9.233 0.000) 9.656 20.005 ( 2.829 9.233 0.000) 9.656 20.376 ( -3.374 -9.379 0.000) 9.968 20.376 ( -3.374 9.379 0.000) 9.968 20.930 ( -0.005 -5.461 0.000) 5.461 20.930 ( -0.005 5.461 0.000) 5.461 21.124 ( -5.355 -4.102 0.000) 6.745 21.124 ( -5.355 4.102 0.000) 6.745 21.813 ( 3.097 -3.182 0.000) 4.440 21.813 ( 3.097 3.182 0.000) 4.440 22.313 ( -4.392 -4.933 0.000) 6.605 22.313 ( -4.392 4.933 0.000) 6.605 ======================= Grid point 41 (23/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 9.889 -0.472 0.000) 9.900 2.106 ( 9.889 0.472 0.000) 9.900 2.211 ( 5.157 -5.111 0.000) 7.261 2.211 ( 5.157 5.111 0.000) 7.261 2.519 ( 4.252 -3.570 0.000) 5.552 2.519 ( 4.252 3.570 0.000) 5.552 2.783 ( -5.046 -1.394 0.000) 5.235 2.783 ( -5.046 1.394 0.000) 5.235 2.918 ( -5.692 -2.731 0.000) 6.313 2.918 ( -5.692 2.731 0.000) 6.313 3.057 ( 1.172 -2.000 0.000) 2.318 3.057 ( 1.172 2.000 0.000) 2.318 3.123 ( -2.679 -1.050 0.000) 2.878 3.123 ( -2.679 1.050 0.000) 2.878 3.464 ( -6.145 -3.530 0.000) 7.087 3.464 ( -6.145 3.530 0.000) 7.087 3.638 ( 3.479 -6.789 0.000) 7.628 3.638 ( 3.479 6.789 0.000) 7.628 3.777 ( -1.208 -3.249 0.000) 3.467 3.777 ( -1.208 3.249 0.000) 3.467 4.265 ( 8.636 -5.579 0.000) 10.281 4.265 ( 8.636 5.579 0.000) 10.281 4.521 ( 0.049 -5.366 0.000) 5.366 4.521 ( 0.049 5.366 0.000) 5.366 4.896 ( -1.201 -6.273 0.000) 6.387 4.896 ( -1.201 6.273 0.000) 6.387 5.028 ( -3.337 -5.428 0.000) 6.372 5.028 ( -3.337 5.428 0.000) 6.372 5.490 ( 1.818 -4.616 0.000) 4.961 5.490 ( 1.818 4.616 0.000) 4.961 5.607 ( -3.799 -6.470 0.000) 7.503 5.607 ( -3.799 6.470 0.000) 7.503 5.982 ( 0.860 -4.281 0.000) 4.367 5.982 ( 0.860 4.281 0.000) 4.367 6.158 ( 2.999 -7.544 0.000) 8.118 6.158 ( 2.999 7.544 0.000) 8.118 6.221 ( 1.611 -0.873 0.000) 1.833 6.221 ( 1.611 0.873 0.000) 1.833 6.267 ( -0.021 -4.328 0.000) 4.328 6.267 ( -0.021 4.328 0.000) 4.328 7.551 ( 5.064 -6.001 0.000) 7.852 7.551 ( 5.064 6.001 0.000) 7.852 7.728 ( -2.805 -4.952 0.000) 5.691 7.728 ( -2.805 4.952 0.000) 5.691 7.862 ( -3.807 -5.193 0.000) 6.439 7.862 ( -3.807 5.193 0.000) 6.439 8.002 ( -5.630 -3.863 0.000) 6.827 8.002 ( -5.630 3.863 0.000) 6.827 8.585 ( 2.905 -6.374 0.000) 7.004 8.585 ( 2.905 6.374 0.000) 7.004 8.771 ( -2.024 -3.744 0.000) 4.257 8.771 ( -2.024 3.744 0.000) 4.257 9.722 ( 3.152 -1.869 0.000) 3.665 9.722 ( 3.152 1.869 0.000) 3.665 9.844 ( -2.539 -3.339 0.000) 4.195 9.844 ( -2.539 3.339 0.000) 4.195 10.304 ( 1.200 -1.674 0.000) 2.059 10.304 ( 1.200 1.674 0.000) 2.059 10.610 ( 3.486 -0.906 0.000) 3.602 10.610 ( 3.486 0.906 0.000) 3.602 11.453 ( 2.201 -1.314 0.000) 2.564 11.453 ( 2.201 1.314 0.000) 2.564 11.701 ( 1.017 -1.936 0.000) 2.187 11.701 ( 1.017 1.936 0.000) 2.187 12.414 ( 4.995 -2.177 0.000) 5.449 12.414 ( 4.995 2.177 0.000) 5.449 12.751 ( -2.390 -3.663 0.000) 4.374 12.751 ( -2.390 3.663 0.000) 4.374 13.465 ( 2.651 -9.759 0.000) 10.112 13.465 ( 2.651 9.759 0.000) 10.112 13.588 ( -1.386 -10.597 0.000) 10.687 13.588 ( -1.386 10.597 0.000) 10.687 14.471 ( 0.452 -1.463 0.000) 1.531 14.471 ( 0.452 1.463 0.000) 1.531 14.678 ( -2.696 -1.374 0.000) 3.026 14.678 ( -2.696 1.374 0.000) 3.026 15.092 ( 1.354 -3.340 0.000) 3.604 15.092 ( 1.354 3.340 0.000) 3.604 15.514 ( -8.577 -6.013 0.000) 10.475 15.514 ( -8.577 6.013 0.000) 10.475 16.495 ( 3.359 -0.789 0.000) 3.451 16.495 ( 3.359 0.789 0.000) 3.451 16.899 ( 0.789 -4.926 0.000) 4.989 16.899 ( 0.789 4.926 0.000) 4.989 17.661 ( 5.701 -2.880 0.000) 6.387 17.661 ( 5.701 2.880 0.000) 6.387 17.848 ( -2.954 -4.984 0.000) 5.793 17.848 ( -2.954 4.984 0.000) 5.793 18.430 ( 2.649 -8.153 0.000) 8.572 18.430 ( 2.649 8.153 0.000) 8.572 18.545 ( -0.177 -9.260 0.000) 9.262 18.545 ( -0.177 9.260 0.000) 9.262 19.053 ( 1.460 -3.733 0.000) 4.008 19.053 ( 1.460 3.733 0.000) 4.008 19.163 ( -1.874 -0.635 0.000) 1.978 19.163 ( -1.874 0.635 0.000) 1.978 20.070 ( 4.146 -10.327 0.000) 11.129 20.070 ( 4.146 10.327 0.000) 11.129 20.293 ( -5.185 -10.583 0.000) 11.785 20.293 ( -5.185 10.583 0.000) 11.785 20.931 ( 0.098 -3.792 0.000) 3.794 20.931 ( 0.098 3.792 0.000) 3.794 21.044 ( -2.822 -1.867 0.000) 3.384 21.044 ( -2.822 1.867 0.000) 3.384 21.875 ( 3.016 -2.122 0.000) 3.688 21.875 ( 3.016 2.122 0.000) 3.688 22.227 ( -4.077 -3.268 0.000) 5.225 22.227 ( -4.077 3.268 0.000) 5.225 ======================= Grid point 43 (24/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 0.000 -0.000 0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 -0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 -0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 2.964 ( -0.000 -0.000 0.000) 0.000 2.964 ( -0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.373 ( -0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.759 ( -0.000 -0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 -0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.891 ( 0.000 -0.000 0.000) 0.000 4.891 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 -0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 -0.000 0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 5.539 ( -0.000 -0.000 0.000) 0.000 5.539 ( -0.000 0.000 0.000) 0.000 5.992 ( 0.000 -0.000 0.000) 0.000 5.992 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 -0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.240 ( -0.000 0.000 0.000) 0.000 6.240 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 -0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 7.640 ( -0.000 -0.000 0.000) 0.000 7.640 ( 0.000 -0.000 0.000) 0.000 7.665 ( 0.000 0.000 0.000) 0.000 7.665 ( -0.000 0.000 0.000) 0.000 7.819 ( 0.000 -0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 7.945 ( 0.000 -0.000 0.000) 0.000 7.945 ( 0.000 0.000 0.000) 0.000 8.623 ( 0.000 0.000 0.000) 0.000 8.623 ( 0.000 0.000 0.000) 0.000 8.745 ( 0.000 -0.000 0.000) 0.000 8.745 ( 0.000 0.000 0.000) 0.000 9.781 ( 0.000 -0.000 0.000) 0.000 9.781 ( 0.000 0.000 0.000) 0.000 9.790 ( -0.000 -0.000 0.000) 0.000 9.790 ( 0.000 0.000 0.000) 0.000 10.317 ( 0.000 0.000 0.000) 0.000 10.317 ( 0.000 0.000 0.000) 0.000 10.645 ( 0.000 0.000 0.000) 0.000 10.645 ( 0.000 0.000 0.000) 0.000 11.473 ( 0.000 -0.000 0.000) 0.000 11.473 ( 0.000 0.000 0.000) 0.000 11.708 ( 0.000 -0.000 0.000) 0.000 11.708 ( 0.000 0.000 0.000) 0.000 12.469 ( 0.000 0.000 0.000) 0.000 12.469 ( 0.000 0.000 0.000) 0.000 12.720 ( 0.000 -0.000 0.000) 0.000 12.720 ( 0.000 0.000 0.000) 0.000 13.514 ( 0.000 -0.000 0.000) 0.000 13.514 ( 0.000 0.000 0.000) 0.000 13.557 ( 0.000 -0.000 0.000) 0.000 13.557 ( 0.000 0.000 0.000) 0.000 14.480 ( 0.000 -0.000 0.000) 0.000 14.480 ( 0.000 0.000 0.000) 0.000 14.645 ( 0.000 0.000 0.000) 0.000 14.645 ( 0.000 0.000 0.000) 0.000 15.120 ( 0.000 0.000 0.000) 0.000 15.120 ( 0.000 0.000 0.000) 0.000 15.417 ( 0.000 0.000 0.000) 0.000 15.417 ( 0.000 0.000 0.000) 0.000 16.531 ( 0.000 0.000 0.000) 0.000 16.531 ( 0.000 0.000 0.000) 0.000 16.903 ( 0.000 0.000 0.000) 0.000 16.903 ( 0.000 0.000 0.000) 0.000 17.750 ( 0.000 0.000 0.000) 0.000 17.750 ( 0.000 0.000 0.000) 0.000 17.785 ( -0.000 -0.000 0.000) 0.000 17.785 ( 0.000 0.000 0.000) 0.000 18.451 ( 0.000 -0.000 0.000) 0.000 18.451 ( 0.000 0.000 0.000) 0.000 18.552 ( -0.000 0.000 0.000) 0.000 18.552 ( 0.000 0.000 0.000) 0.000 19.092 ( 0.000 -0.000 0.000) 0.000 19.092 ( 0.000 0.000 0.000) 0.000 19.118 ( -0.000 -0.000 0.000) 0.000 19.118 ( 0.000 -0.000 0.000) 0.000 20.142 ( -0.000 0.000 0.000) 0.000 20.142 ( 0.000 0.000 0.000) 0.000 20.210 ( 0.000 -0.000 0.000) 0.000 20.210 ( 0.000 -0.000 0.000) 0.000 20.932 ( 0.000 -0.000 0.000) 0.000 20.932 ( 0.000 0.000 0.000) 0.000 21.017 ( 0.000 -0.000 0.000) 0.000 21.017 ( 0.000 0.000 0.000) 0.000 21.910 ( 0.000 0.000 0.000) 0.000 21.910 ( 0.000 0.000 0.000) 0.000 22.181 ( 0.000 -0.000 0.000) 0.000 22.181 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 77 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 0.000 0.000 27.381) 27.381 0.625 ( 0.000 0.000 30.240) 30.240 1.103 ( 0.000 0.000 52.807) 52.807 2.020 ( 0.000 0.000 -16.550) 16.550 2.245 ( 0.000 0.000 -17.735) 17.735 2.393 ( 0.000 0.000 11.729) 11.729 2.602 ( 0.000 0.000 2.812) 2.812 2.762 ( 0.000 0.000 2.009) 2.009 2.873 ( 0.000 0.000 -0.677) 0.677 2.960 ( 0.000 0.000 4.611) 4.611 3.091 ( 0.000 0.000 -0.222) 0.222 3.173 ( 0.000 0.000 -2.829) 2.829 3.334 ( 0.000 0.000 6.136) 6.136 3.346 ( 0.000 0.000 -3.622) 3.622 3.419 ( 0.000 0.000 6.507) 6.507 3.499 ( 0.000 0.000 -1.318) 1.318 3.539 ( 0.000 0.000 -0.479) 0.479 3.800 ( 0.000 0.000 4.264) 4.264 3.853 ( 0.000 0.000 -13.154) 13.154 4.084 ( 0.000 0.000 -2.685) 2.685 4.112 ( 0.000 0.000 -8.467) 8.467 4.327 ( 0.000 0.000 -13.334) 13.334 4.579 ( 0.000 0.000 0.454) 0.454 4.736 ( 0.000 0.000 5.273) 5.273 4.767 ( 0.000 0.000 -1.300) 1.300 4.972 ( 0.000 0.000 -5.130) 5.130 5.062 ( 0.000 0.000 4.870) 4.870 5.081 ( 0.000 0.000 -0.267) 0.267 5.193 ( 0.000 0.000 -6.388) 6.388 5.315 ( 0.000 0.000 0.919) 0.919 5.557 ( 0.000 0.000 -2.248) 2.248 5.581 ( 0.000 0.000 5.575) 5.575 5.622 ( 0.000 0.000 -0.912) 0.912 5.713 ( 0.000 0.000 7.226) 7.226 5.935 ( 0.000 0.000 2.492) 2.492 5.952 ( 0.000 0.000 0.665) 0.665 6.232 ( 0.000 0.000 -5.632) 5.632 6.236 ( 0.000 0.000 -0.951) 0.951 6.542 ( 0.000 0.000 7.564) 7.564 6.761 ( 0.000 0.000 -0.617) 0.617 7.319 ( 0.000 0.000 0.753) 0.753 7.448 ( 0.000 0.000 -2.891) 2.891 7.832 ( 0.000 0.000 1.353) 1.353 7.868 ( 0.000 0.000 -0.746) 0.746 8.018 ( 0.000 0.000 -1.624) 1.624 8.120 ( 0.000 0.000 -1.164) 1.164 8.226 ( 0.000 0.000 5.474) 5.474 8.371 ( 0.000 0.000 1.324) 1.324 8.790 ( 0.000 0.000 -2.837) 2.837 8.810 ( 0.000 0.000 -2.817) 2.817 9.138 ( 0.000 0.000 1.635) 1.635 9.197 ( 0.000 0.000 0.800) 0.800 9.538 ( 0.000 0.000 3.242) 3.242 9.662 ( 0.000 0.000 1.886) 1.886 9.664 ( 0.000 0.000 0.718) 0.718 9.784 ( 0.000 0.000 0.055) 0.055 10.084 ( 0.000 0.000 -0.984) 0.984 10.131 ( 0.000 0.000 -2.216) 2.216 10.205 ( 0.000 0.000 -2.483) 2.483 10.284 ( 0.000 0.000 -3.390) 3.390 10.595 ( 0.000 0.000 2.976) 2.976 10.775 ( 0.000 0.000 -1.685) 1.685 11.315 ( 0.000 0.000 2.456) 2.456 11.602 ( 0.000 0.000 -4.539) 4.539 12.443 ( 0.000 0.000 6.762) 6.762 12.695 ( 0.000 0.000 0.447) 0.447 12.737 ( 0.000 0.000 0.441) 0.441 12.822 ( 0.000 0.000 -1.390) 1.390 13.488 ( 0.000 0.000 -0.762) 0.762 13.552 ( 0.000 0.000 -1.441) 1.441 13.671 ( 0.000 0.000 0.984) 0.984 13.888 ( 0.000 0.000 -5.765) 5.765 14.474 ( 0.000 0.000 0.595) 0.595 14.548 ( 0.000 0.000 -2.456) 2.456 14.811 ( 0.000 0.000 10.488) 10.488 14.996 ( 0.000 0.000 0.855) 0.855 15.059 ( 0.000 0.000 -0.910) 0.910 15.264 ( 0.000 0.000 -1.587) 1.587 15.842 ( 0.000 0.000 2.775) 2.775 16.056 ( 0.000 0.000 -2.546) 2.546 16.377 ( 0.000 0.000 -2.313) 2.313 16.452 ( 0.000 0.000 -6.175) 6.175 16.948 ( 0.000 0.000 4.247) 4.247 17.034 ( 0.000 0.000 -1.419) 1.419 17.054 ( 0.000 0.000 2.906) 2.906 17.227 ( 0.000 0.000 0.707) 0.707 17.855 ( 0.000 0.000 0.618) 0.618 17.934 ( 0.000 0.000 -1.273) 1.273 17.960 ( 0.000 0.000 3.704) 3.704 18.367 ( 0.000 0.000 -6.298) 6.298 18.552 ( 0.000 0.000 2.706) 2.706 18.609 ( 0.000 0.000 0.486) 0.486 19.002 ( 0.000 0.000 -0.059) 0.059 19.139 ( 0.000 0.000 -3.925) 3.925 19.176 ( 0.000 0.000 1.223) 1.223 19.233 ( 0.000 0.000 0.302) 0.302 19.583 ( 0.000 0.000 0.408) 0.408 19.618 ( 0.000 0.000 -0.486) 0.486 20.229 ( 0.000 0.000 3.799) 3.799 20.424 ( 0.000 0.000 -1.244) 1.244 20.553 ( 0.000 0.000 7.366) 7.366 21.031 ( 0.000 0.000 -0.486) 0.486 21.183 ( 0.000 0.000 -2.043) 2.043 21.266 ( 0.000 0.000 -6.441) 6.441 21.892 ( 0.000 0.000 1.402) 1.402 21.983 ( 0.000 0.000 -0.954) 0.954 22.559 ( 0.000 0.000 0.514) 0.514 22.604 ( 0.000 0.000 -0.423) 0.423 ======================= Grid point 78 (26/72) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 20.931 0.000 18.664) 28.043 0.894 ( 19.873 0.000 22.864) 30.294 1.482 ( 35.671 0.000 35.754) 50.505 2.098 ( 7.417 0.000 -16.170) 17.790 2.270 ( 2.292 0.000 -14.792) 14.969 2.390 ( 0.131 0.000 11.483) 11.484 2.666 ( 5.930 0.000 2.013) 6.263 2.787 ( 2.472 0.000 1.825) 3.073 2.877 ( 0.408 0.000 -0.820) 0.916 2.977 ( 1.155 0.000 1.771) 2.114 3.049 ( -3.468 0.000 0.853) 3.571 3.163 ( -1.450 0.000 -3.185) 3.499 3.302 ( -1.418 0.000 5.581) 5.758 3.330 ( -1.180 0.000 0.366) 1.235 3.374 ( -3.317 0.000 3.172) 4.590 3.513 ( -1.224 0.000 0.314) 1.264 3.524 ( -0.961 0.000 -0.223) 0.987 3.747 ( -3.612 0.000 0.862) 3.714 3.881 ( 1.440 0.000 -9.285) 9.396 4.033 ( -4.686 0.000 -3.153) 5.648 4.074 ( -3.915 0.000 -6.856) 7.895 4.304 ( -2.228 0.000 -13.574) 13.756 4.557 ( -2.103 0.000 -0.212) 2.114 4.708 ( -1.355 0.000 3.411) 3.671 4.816 ( 0.824 0.000 -2.722) 2.844 4.951 ( -1.082 0.000 -0.931) 1.428 4.997 ( -5.744 0.000 5.083) 7.670 5.106 ( 4.006 0.000 -3.156) 5.100 5.167 ( -1.595 0.000 -3.748) 4.073 5.342 ( 2.043 0.000 0.650) 2.144 5.509 ( -2.728 0.000 4.903) 5.611 5.613 ( 2.555 0.000 0.438) 2.592 5.737 ( 5.592 0.000 -0.571) 5.621 5.827 ( 7.834 0.000 -2.265) 8.155 5.979 ( 4.618 0.000 1.993) 5.029 6.016 ( 5.969 0.000 0.106) 5.969 6.207 ( -1.861 0.000 -1.552) 2.423 6.260 ( 2.163 0.000 -1.174) 2.461 6.489 ( -4.045 0.000 7.400) 8.433 6.738 ( -3.966 0.000 -1.609) 4.280 7.314 ( -0.002 0.000 0.994) 0.994 7.464 ( 1.110 0.000 -3.211) 3.397 7.799 ( -3.967 0.000 2.922) 4.927 7.859 ( -0.120 0.000 -1.901) 1.905 7.955 ( -5.660 0.000 2.518) 6.194 8.028 ( -2.880 0.000 2.717) 3.959 8.236 ( 0.322 0.000 5.587) 5.597 8.424 ( 4.303 0.000 0.231) 4.309 8.690 ( -7.309 0.000 -2.517) 7.730 8.724 ( -7.884 0.000 -2.756) 8.352 9.142 ( 0.144 0.000 0.978) 0.989 9.242 ( 0.781 0.000 0.112) 0.789 9.559 ( 1.892 0.000 1.748) 2.576 9.599 ( -1.878 0.000 -0.670) 1.994 9.752 ( -0.544 0.000 -0.424) 0.689 9.755 ( -0.424 0.000 -1.087) 1.166 10.112 ( 0.432 0.000 0.311) 0.532 10.138 ( 1.769 0.000 -0.235) 1.784 10.229 ( 7.048 0.000 -2.880) 7.614 10.422 ( 8.148 0.000 -8.628) 11.867 10.716 ( 10.896 0.000 1.992) 11.077 10.847 ( 6.735 0.000 -1.079) 6.821 11.406 ( 7.586 0.000 -1.776) 7.791 11.634 ( 3.132 0.000 -4.988) 5.890 12.446 ( 0.285 0.000 6.359) 6.365 12.659 ( -5.516 0.000 7.792) 9.547 12.712 ( -1.289 0.000 2.104) 2.467 12.847 ( -1.496 0.000 0.747) 1.672 12.941 ( -14.312 0.000 18.163) 23.125 13.620 ( -4.732 0.000 -2.165) 5.204 13.803 ( 0.270 0.000 -5.858) 5.864 13.935 ( 7.752 0.000 -8.177) 11.268 14.412 ( -6.911 0.000 5.500) 8.832 14.477 ( -0.172 0.000 0.118) 0.209 14.694 ( -3.568 0.000 6.880) 7.750 14.939 ( -5.126 0.000 -0.581) 5.159 15.215 ( -3.556 0.000 0.545) 3.598 15.269 ( 6.347 0.000 -3.609) 7.302 15.712 ( -11.230 0.000 4.881) 12.244 16.080 ( 5.075 0.000 -0.809) 5.139 16.351 ( 1.323 0.000 -3.184) 3.448 16.385 ( -7.395 0.000 -7.767) 10.725 16.898 ( -4.953 0.000 8.236) 9.610 17.061 ( 7.882 0.000 3.108) 8.472 17.216 ( 1.332 0.000 -1.610) 2.090 17.325 ( 9.365 0.000 -10.036) 13.727 17.803 ( -3.907 0.000 3.337) 5.138 17.882 ( -0.888 0.000 4.597) 4.682 17.960 ( -1.540 0.000 2.412) 2.862 18.402 ( 3.861 0.000 -6.330) 7.415 18.603 ( 4.670 0.000 1.285) 4.844 18.657 ( 4.190 0.000 1.055) 4.321 19.003 ( -0.116 0.000 -0.144) 0.185 19.130 ( -0.928 0.000 -4.027) 4.132 19.253 ( 1.992 0.000 1.501) 2.494 19.569 ( 1.764 0.000 -2.914) 3.407 19.610 ( -0.781 0.000 -0.031) 0.781 19.700 ( 22.783 0.000 -23.204) 32.519 20.229 ( 2.303 0.000 0.491) 2.354 20.432 ( -0.487 0.000 -2.344) 2.394 20.598 ( 5.199 0.000 6.279) 8.152 21.006 ( -2.133 0.000 2.812) 3.529 21.139 ( -4.517 0.000 -2.831) 5.330 21.293 ( 2.331 0.000 -8.436) 8.752 21.884 ( -1.469 0.000 1.859) 2.369 21.973 ( -1.043 0.000 -0.505) 1.159 22.283 ( -12.822 0.000 14.784) 19.570 22.661 ( -2.159 0.000 -5.261) 5.687 ======================= Grid point 79 (27/72) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 23.868 0.000 10.416) 26.042 1.294 ( 21.984 0.000 16.134) 27.269 2.193 ( 22.647 0.000 3.953) 22.990 2.269 ( 6.040 0.000 -11.845) 13.296 2.355 ( 18.575 0.000 2.685) 18.768 2.407 ( 3.511 0.000 11.043) 11.588 2.758 ( 0.678 0.000 2.516) 2.606 2.831 ( 0.878 0.000 0.755) 1.158 2.904 ( 1.458 0.000 -3.896) 4.160 2.953 ( -0.377 0.000 -1.909) 1.945 3.025 ( 0.148 0.000 0.598) 0.616 3.113 ( -3.415 0.000 -3.895) 5.180 3.253 ( -3.448 0.000 1.591) 3.797 3.301 ( -4.518 0.000 -0.596) 4.557 3.327 ( -0.121 0.000 3.730) 3.732 3.434 ( -5.391 0.000 0.828) 5.454 3.525 ( 1.082 0.000 0.880) 1.395 3.676 ( -3.922 0.000 4.152) 5.712 3.883 ( -2.130 0.000 -6.161) 6.519 3.927 ( -5.010 0.000 -1.962) 5.380 3.987 ( -4.382 0.000 -4.064) 5.977 4.273 ( -0.078 0.000 -10.690) 10.690 4.519 ( -0.960 0.000 -4.113) 4.224 4.659 ( -4.110 0.000 1.568) 4.399 4.777 ( -3.380 0.000 0.263) 3.390 4.907 ( -1.895 0.000 0.050) 1.896 4.996 ( 3.487 0.000 1.202) 3.688 5.148 ( 0.024 0.000 -0.818) 0.818 5.183 ( 3.377 0.000 -4.479) 5.609 5.383 ( 1.654 0.000 0.715) 1.802 5.463 ( -1.415 0.000 7.415) 7.549 5.652 ( 1.096 0.000 -1.916) 2.208 5.814 ( 2.264 0.000 0.931) 2.448 5.927 ( 3.002 0.000 -1.274) 3.261 6.100 ( 6.850 0.000 2.361) 7.246 6.156 ( 8.209 0.000 -0.599) 8.231 6.184 ( -0.227 0.000 2.183) 2.195 6.299 ( 1.406 0.000 -1.313) 1.923 6.414 ( -3.166 0.000 2.790) 4.220 6.603 ( -9.174 0.000 -1.515) 9.298 7.329 ( 1.582 0.000 1.252) 2.018 7.484 ( 0.837 0.000 -3.613) 3.709 7.705 ( -4.544 0.000 4.864) 6.656 7.834 ( -2.751 0.000 -2.027) 3.418 7.910 ( 0.694 0.000 3.206) 3.280 7.994 ( -1.678 0.000 2.142) 2.721 8.254 ( 1.464 0.000 4.745) 4.966 8.431 ( -4.600 0.000 0.114) 4.601 8.538 ( -10.306 0.000 -2.785) 10.675 8.617 ( 0.010 0.000 -2.552) 2.552 9.132 ( -1.288 0.000 -1.010) 1.637 9.188 ( -5.155 0.000 -0.226) 5.160 9.561 ( -1.390 0.000 -0.247) 1.412 9.592 ( 0.342 0.000 1.123) 1.174 9.722 ( -2.867 0.000 -0.784) 2.972 9.735 ( -0.514 0.000 -1.491) 1.577 10.150 ( 4.764 0.000 2.633) 5.443 10.235 ( 6.173 0.000 -0.572) 6.200 10.381 ( 8.119 0.000 -2.719) 8.562 10.548 ( 5.264 0.000 -6.843) 8.634 10.950 ( 12.207 0.000 1.304) 12.277 11.000 ( 8.427 0.000 0.302) 8.432 11.556 ( 7.516 0.000 -3.442) 8.267 11.709 ( 4.264 0.000 -5.385) 6.869 12.452 ( 0.094 0.000 7.020) 7.021 12.519 ( -5.074 0.000 18.493) 19.177 12.715 ( 0.383 0.000 1.022) 1.091 12.737 ( -2.414 0.000 1.858) 3.046 12.979 ( 5.838 0.000 0.098) 5.839 13.461 ( -11.156 0.000 -4.551) 12.049 13.805 ( 1.783 0.000 0.319) 1.811 14.074 ( 5.476 0.000 -7.028) 8.910 14.333 ( -1.431 0.000 4.207) 4.444 14.464 ( -1.541 0.000 -0.784) 1.729 14.629 ( -3.549 0.000 3.838) 5.228 14.834 ( -5.215 0.000 -1.397) 5.399 15.109 ( -6.260 0.000 4.190) 7.533 15.338 ( 1.464 0.000 -1.006) 1.776 15.500 ( -10.391 0.000 3.292) 10.900 16.078 ( -8.958 0.000 -11.290) 14.412 16.311 ( 3.815 0.000 -0.308) 3.827 16.428 ( 5.450 0.000 -2.833) 6.142 16.792 ( -5.349 0.000 10.248) 11.561 17.224 ( 3.472 0.000 -2.820) 4.473 17.254 ( 7.077 0.000 -0.826) 7.125 17.461 ( 5.855 0.000 -8.011) 9.923 17.753 ( -0.997 0.000 4.617) 4.723 17.896 ( 1.943 0.000 3.392) 3.909 17.942 ( 0.592 0.000 6.605) 6.631 18.456 ( 0.701 0.000 -4.146) 4.205 18.699 ( 4.587 0.000 -0.650) 4.633 18.765 ( 6.651 0.000 0.575) 6.676 18.988 ( -1.553 0.000 -0.330) 1.588 19.105 ( -1.411 0.000 -3.147) 3.449 19.252 ( -2.767 0.000 3.595) 4.536 19.568 ( -0.228 0.000 -0.085) 0.243 19.593 ( -0.558 0.000 0.458) 0.722 19.899 ( -0.194 0.000 -18.828) 18.829 20.299 ( 3.974 0.000 3.138) 5.063 20.462 ( 4.694 0.000 -4.681) 6.629 20.711 ( 5.279 0.000 1.950) 5.627 20.958 ( -2.818 0.000 4.968) 5.711 21.045 ( -4.344 0.000 -2.445) 4.985 21.323 ( 0.298 0.000 -9.881) 9.885 21.815 ( -4.732 0.000 6.185) 7.788 21.958 ( -0.452 0.000 -0.379) 0.590 22.150 ( -2.756 0.000 9.101) 9.509 22.572 ( -6.163 0.000 -4.873) 7.857 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 18.777 0.000 7.683) 20.288 1.741 ( 23.179 0.000 7.560) 24.381 2.213 ( -6.346 0.000 1.211) 6.460 2.374 ( 4.606 0.000 -2.740) 5.359 2.508 ( 8.387 0.000 -4.576) 9.555 2.683 ( -6.806 0.000 -2.737) 7.336 2.784 ( -5.239 0.000 -2.252) 5.703 2.836 ( 7.853 0.000 6.578) 10.244 2.896 ( 0.180 0.000 -1.262) 1.275 2.950 ( -5.475 0.000 1.289) 5.625 3.001 ( -0.361 0.000 -3.702) 3.719 3.135 ( -0.089 0.000 -2.720) 2.722 3.189 ( -3.338 0.000 -1.609) 3.706 3.227 ( 0.557 0.000 2.140) 2.212 3.324 ( 0.159 0.000 -1.073) 1.085 3.383 ( 5.552 0.000 5.379) 7.730 3.505 ( -2.387 0.000 1.618) 2.884 3.660 ( 1.221 0.000 2.504) 2.786 3.817 ( -1.477 0.000 -1.425) 2.052 3.864 ( -0.273 0.000 -0.125) 0.300 3.951 ( 1.133 0.000 -2.239) 2.509 4.300 ( 2.331 0.000 -1.944) 3.035 4.508 ( -2.633 0.000 -1.569) 3.065 4.609 ( 1.570 0.000 -6.254) 6.448 4.711 ( -3.724 0.000 2.603) 4.544 4.876 ( -1.596 0.000 -2.145) 2.673 5.083 ( 5.535 0.000 0.220) 5.539 5.173 ( 1.991 0.000 1.683) 2.607 5.228 ( 1.307 0.000 -1.276) 1.827 5.378 ( -1.508 0.000 3.019) 3.375 5.481 ( 2.595 0.000 2.103) 3.340 5.654 ( -0.600 0.000 -1.594) 1.703 5.813 ( -2.506 0.000 2.072) 3.252 5.958 ( 0.067 0.000 0.289) 0.296 6.154 ( -0.796 0.000 1.925) 2.083 6.221 ( 2.857 0.000 1.102) 3.062 6.293 ( -1.034 0.000 0.957) 1.409 6.319 ( 6.079 0.000 -1.053) 6.169 6.398 ( 0.803 0.000 -0.651) 1.034 6.440 ( -4.626 0.000 -3.494) 5.797 7.370 ( 2.387 0.000 1.188) 2.666 7.483 ( -1.063 0.000 -1.393) 1.752 7.659 ( -0.081 0.000 4.232) 4.233 7.780 ( -2.785 0.000 -1.115) 3.000 7.927 ( 0.790 0.000 2.425) 2.550 7.954 ( -2.025 0.000 2.617) 3.309 8.269 ( -2.532 0.000 -0.004) 2.532 8.328 ( -7.203 0.000 0.407) 7.215 8.347 ( -4.311 0.000 0.675) 4.363 8.623 ( -0.687 0.000 -2.402) 2.498 9.086 ( -3.865 0.000 -0.582) 3.909 9.101 ( -2.695 0.000 -1.039) 2.888 9.547 ( -0.780 0.000 -0.024) 0.780 9.584 ( 0.223 0.000 0.644) 0.682 9.653 ( -3.792 0.000 -0.498) 3.825 9.744 ( 0.892 0.000 -2.478) 2.634 10.259 ( 5.736 0.000 2.490) 6.253 10.347 ( 5.044 0.000 0.148) 5.046 10.524 ( 6.531 0.000 -2.979) 7.178 10.631 ( 3.429 0.000 -4.906) 5.986 11.140 ( 6.915 0.000 1.632) 7.105 11.157 ( 7.713 0.000 2.012) 7.971 11.684 ( 5.561 0.000 -3.289) 6.461 11.784 ( 3.160 0.000 -5.154) 6.046 12.441 ( -0.221 0.000 12.627) 12.629 12.503 ( 1.848 0.000 5.794) 6.081 12.662 ( -2.828 0.000 -0.474) 2.868 12.801 ( 5.774 0.000 1.419) 5.946 13.090 ( 5.182 0.000 -1.666) 5.443 13.232 ( -11.599 0.000 -3.851) 12.222 13.876 ( 5.327 0.000 3.202) 6.215 14.126 ( 0.383 0.000 -1.504) 1.552 14.354 ( 2.929 0.000 0.113) 2.931 14.416 ( -3.145 0.000 -0.146) 3.148 14.558 ( -3.919 0.000 2.734) 4.778 14.742 ( -4.659 0.000 -0.792) 4.725 15.012 ( -2.950 0.000 3.484) 4.565 15.289 ( -8.537 0.000 -0.214) 8.540 15.374 ( -0.310 0.000 1.287) 1.324 15.858 ( -11.999 0.000 -11.483) 16.609 16.415 ( 5.400 0.000 1.012) 5.494 16.532 ( 4.138 0.000 -1.213) 4.312 16.727 ( -0.229 0.000 8.005) 8.009 17.205 ( -3.510 0.000 -5.237) 6.305 17.430 ( 8.396 0.000 -3.600) 9.136 17.569 ( 5.423 0.000 -5.499) 7.723 17.776 ( 3.468 0.000 6.299) 7.191 17.934 ( 2.609 0.000 2.905) 3.904 18.001 ( 4.396 0.000 7.509) 8.701 18.417 ( -4.633 0.000 -2.557) 5.292 18.769 ( 2.671 0.000 -1.324) 2.981 18.874 ( 3.636 0.000 0.838) 3.731 18.953 ( -1.286 0.000 0.219) 1.305 19.097 ( 0.905 0.000 -1.587) 1.827 19.166 ( -4.771 0.000 3.230) 5.762 19.566 ( -1.071 0.000 -0.998) 1.464 19.601 ( 1.341 0.000 0.632) 1.482 19.774 ( -9.878 0.000 -11.018) 14.798 20.405 ( 6.278 0.000 2.045) 6.602 20.573 ( 5.987 0.000 -3.949) 7.172 20.777 ( 1.403 0.000 2.110) 2.534 20.908 ( -2.015 0.000 -0.416) 2.058 20.988 ( -1.430 0.000 1.475) 2.054 21.293 ( -3.550 0.000 -7.928) 8.687 21.753 ( -1.042 0.000 6.661) 6.742 21.940 ( -1.751 0.000 -0.241) 1.768 22.125 ( -0.152 0.000 4.184) 4.187 22.446 ( -6.621 0.000 -4.051) 7.762 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 8.895 0.000 4.424) 9.934 2.064 ( -4.020 0.000 3.761) 5.505 2.163 ( 16.782 0.000 2.802) 17.014 2.466 ( 4.613 0.000 -1.032) 4.727 2.546 ( -4.685 0.000 -4.761) 6.679 2.640 ( 1.979 0.000 -1.203) 2.316 2.728 ( 2.000 0.000 -3.254) 3.819 2.793 ( -6.723 0.000 2.692) 7.242 2.812 ( -5.844 0.000 -2.613) 6.401 2.854 ( -3.056 0.000 4.464) 5.410 3.016 ( -7.832 0.000 -2.316) 8.168 3.042 ( -0.776 0.000 1.306) 1.519 3.099 ( -2.305 0.000 -2.100) 3.118 3.209 ( -2.386 0.000 -3.122) 3.929 3.322 ( -0.237 0.000 -4.424) 4.430 3.409 ( -1.817 0.000 -4.283) 4.652 3.544 ( -0.999 0.000 5.039) 5.137 3.645 ( -3.158 0.000 1.130) 3.354 3.865 ( 6.379 0.000 0.017) 6.379 3.962 ( 2.415 0.000 -3.529) 4.276 4.149 ( 22.047 0.000 4.746) 22.552 4.346 ( 2.024 0.000 0.952) 2.237 4.460 ( 0.164 0.000 -0.901) 0.916 4.627 ( -2.512 0.000 3.120) 4.005 4.652 ( -1.282 0.000 0.581) 1.408 4.846 ( -2.705 0.000 -2.053) 3.396 5.181 ( 2.531 0.000 4.280) 4.972 5.197 ( 0.042 0.000 3.081) 3.082 5.244 ( 1.986 0.000 0.062) 1.987 5.349 ( -1.442 0.000 -1.938) 2.415 5.537 ( 3.323 0.000 0.320) 3.338 5.654 ( 1.175 0.000 -2.081) 2.390 5.734 ( -4.575 0.000 1.529) 4.824 5.907 ( -5.832 0.000 0.225) 5.836 6.139 ( -0.156 0.000 -0.224) 0.273 6.193 ( -3.820 0.000 -0.277) 3.830 6.287 ( 2.394 0.000 -0.292) 2.412 6.359 ( -1.218 0.000 -3.791) 3.982 6.442 ( 4.245 0.000 0.608) 4.288 6.473 ( 2.491 0.000 -0.325) 2.513 7.407 ( 1.382 0.000 1.339) 1.925 7.455 ( -1.576 0.000 1.064) 1.902 7.679 ( 1.407 0.000 2.652) 3.002 7.729 ( -2.291 0.000 1.123) 2.552 7.937 ( 1.089 0.000 1.231) 1.644 7.948 ( 1.022 0.000 1.496) 1.812 8.158 ( -6.889 0.000 -1.712) 7.098 8.170 ( -6.061 0.000 -1.119) 6.164 8.392 ( 4.423 0.000 2.937) 5.309 8.579 ( -3.795 0.000 -1.107) 3.953 9.031 ( -1.603 0.000 -0.079) 1.605 9.054 ( -2.196 0.000 -0.811) 2.341 9.523 ( -0.789 0.000 -0.043) 0.790 9.580 ( -3.131 0.000 -0.562) 3.181 9.633 ( 3.535 0.000 -0.439) 3.562 9.747 ( -0.967 0.000 -3.019) 3.170 10.355 ( 4.161 0.000 1.902) 4.575 10.414 ( 1.706 0.000 0.948) 1.952 10.626 ( 4.012 0.000 -3.275) 5.179 10.677 ( 1.267 0.000 -3.949) 4.147 11.240 ( 3.674 0.000 2.670) 4.542 11.261 ( 3.040 0.000 2.906) 4.206 11.767 ( 3.229 0.000 -3.200) 4.546 11.821 ( 0.638 0.000 -4.337) 4.384 12.458 ( 1.742 0.000 8.386) 8.565 12.533 ( -0.272 0.000 3.476) 3.487 12.648 ( 2.754 0.000 -0.048) 2.755 12.877 ( -1.819 0.000 -1.903) 2.632 13.080 ( -0.731 0.000 -0.397) 0.832 13.163 ( 1.716 0.000 -1.929) 2.582 13.993 ( 6.185 0.000 3.644) 7.178 14.118 ( -0.871 0.000 1.769) 1.972 14.360 ( -1.754 0.000 1.762) 2.486 14.415 ( 1.831 0.000 -1.151) 2.163 14.481 ( -2.770 0.000 2.250) 3.569 14.646 ( -5.485 0.000 -0.684) 5.527 15.000 ( 1.105 0.000 1.293) 1.701 15.133 ( -6.721 0.000 1.189) 6.826 15.397 ( 2.651 0.000 -2.048) 3.350 15.645 ( -9.891 0.000 -9.207) 13.513 16.499 ( 3.143 0.000 2.142) 3.803 16.558 ( -0.487 0.000 3.861) 3.892 16.804 ( 7.047 0.000 0.626) 7.075 17.101 ( -6.875 0.000 -4.587) 8.265 17.563 ( 5.717 0.000 -4.776) 7.450 17.652 ( 2.435 0.000 -5.042) 5.600 17.871 ( 5.868 0.000 6.509) 8.763 18.004 ( 3.590 0.000 1.983) 4.101 18.065 ( 2.299 0.000 6.597) 6.986 18.297 ( -7.121 0.000 -0.860) 7.173 18.800 ( 0.885 0.000 -0.191) 0.905 18.881 ( -2.347 0.000 2.580) 3.488 18.981 ( 4.544 0.000 -0.205) 4.549 19.110 ( -0.913 0.000 -0.204) 0.935 19.136 ( 2.683 0.000 -0.428) 2.717 19.441 ( -11.683 0.000 -4.950) 12.688 19.631 ( 1.461 0.000 0.336) 1.499 19.661 ( -1.259 0.000 -0.946) 1.575 20.520 ( 5.753 0.000 -2.794) 6.395 20.660 ( 1.812 0.000 -4.077) 4.462 20.779 ( 0.065 0.000 2.920) 2.921 20.867 ( -2.640 0.000 -0.642) 2.717 21.004 ( 3.011 0.000 1.712) 3.464 21.198 ( -5.859 0.000 -3.888) 7.032 21.773 ( 2.601 0.000 4.233) 4.968 21.893 ( -2.915 0.000 0.855) 3.038 22.144 ( 2.224 0.000 1.283) 2.567 22.322 ( -6.241 0.000 -2.688) 6.795 ======================= Grid point 82 (30/72) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -0.825 0.000 3.184) 3.289 2.009 ( 0.825 0.000 3.184) 3.289 2.442 ( -9.456 0.000 -2.428) 9.762 2.442 ( 9.456 0.000 -2.428) 9.762 2.577 ( -5.907 0.000 -0.159) 5.909 2.577 ( 5.907 0.000 -0.159) 5.909 2.723 ( -1.213 0.000 2.859) 3.105 2.723 ( 1.213 0.000 2.859) 3.105 2.824 ( -0.952 0.000 1.826) 2.059 2.824 ( 0.952 0.000 1.826) 2.059 2.934 ( -4.082 0.000 -2.469) 4.770 2.934 ( 4.082 0.000 -2.469) 4.770 3.154 ( -3.543 0.000 -2.901) 4.579 3.154 ( 3.543 0.000 -2.901) 4.579 3.348 ( -3.332 0.000 -5.603) 6.519 3.348 ( 3.332 0.000 -5.603) 6.519 3.568 ( -3.538 0.000 2.740) 4.475 3.568 ( 3.538 0.000 2.740) 4.475 3.961 ( -2.733 0.000 -3.323) 4.303 3.961 ( 2.733 0.000 -3.323) 4.303 4.368 ( -1.665 0.000 0.445) 1.723 4.368 ( 1.665 0.000 0.445) 1.723 4.604 ( -3.657 0.000 1.141) 3.831 4.604 ( 3.657 0.000 1.141) 3.831 4.672 ( -14.613 0.000 6.365) 15.939 4.672 ( 14.613 0.000 6.365) 15.939 5.186 ( -0.607 0.000 3.966) 4.012 5.186 ( 0.607 0.000 3.966) 4.012 5.312 ( -2.995 0.000 -1.802) 3.496 5.312 ( 2.995 0.000 -1.802) 3.496 5.614 ( -4.588 0.000 -1.042) 4.704 5.614 ( 4.588 0.000 -1.042) 4.704 5.766 ( -7.140 0.000 -1.104) 7.225 5.766 ( 7.140 0.000 -1.104) 7.225 6.150 ( -1.199 0.000 -0.279) 1.231 6.150 ( 1.199 0.000 -0.279) 1.231 6.331 ( -1.873 0.000 -1.960) 2.711 6.331 ( 1.873 0.000 -1.960) 2.711 6.490 ( -0.804 0.000 0.290) 0.855 6.490 ( 0.804 0.000 0.290) 0.855 7.428 ( -1.110 0.000 1.572) 1.924 7.428 ( 1.110 0.000 1.572) 1.924 7.700 ( -0.938 0.000 2.470) 2.642 7.700 ( 0.938 0.000 2.470) 2.642 7.965 ( -0.222 0.000 0.109) 0.248 7.965 ( 0.222 0.000 0.109) 0.248 8.089 ( -0.974 0.000 -0.887) 1.317 8.089 ( 0.974 0.000 -0.887) 1.317 8.488 ( -5.279 0.000 0.944) 5.363 8.488 ( 5.279 0.000 0.944) 5.363 9.024 ( -0.765 0.000 -0.265) 0.810 9.024 ( 0.765 0.000 -0.265) 0.810 9.531 ( -1.631 0.000 -0.186) 1.642 9.531 ( 1.631 0.000 -0.186) 1.642 9.704 ( -3.348 0.000 -2.244) 4.031 9.704 ( 3.348 0.000 -2.244) 4.031 10.413 ( -1.687 0.000 1.457) 2.229 10.413 ( 1.687 0.000 1.457) 2.229 10.677 ( -1.322 0.000 -3.525) 3.765 10.677 ( 1.322 0.000 -3.525) 3.765 11.282 ( -0.673 0.000 3.142) 3.213 11.282 ( 0.673 0.000 3.142) 3.213 11.812 ( -1.445 0.000 -3.558) 3.840 11.812 ( 1.445 0.000 -3.558) 3.840 12.499 ( -2.331 0.000 4.882) 5.410 12.499 ( 2.331 0.000 4.882) 5.410 12.757 ( -7.387 0.000 -1.373) 7.513 12.757 ( 7.387 0.000 -1.373) 7.513 13.145 ( -3.538 0.000 -0.709) 3.608 13.145 ( 3.538 0.000 -0.709) 3.608 14.085 ( -3.050 0.000 2.916) 4.220 14.085 ( 3.050 0.000 2.916) 4.220 14.371 ( -2.971 0.000 2.204) 3.700 14.371 ( 2.971 0.000 2.204) 3.700 14.534 ( -5.598 0.000 -0.861) 5.664 14.534 ( 5.598 0.000 -0.861) 5.664 15.040 ( -3.167 0.000 1.350) 3.443 15.040 ( 3.167 0.000 1.350) 3.443 15.485 ( -6.588 0.000 -5.869) 8.823 15.485 ( 6.588 0.000 -5.869) 8.823 16.540 ( -1.386 0.000 3.668) 3.922 16.540 ( 1.386 0.000 3.668) 3.922 16.954 ( -8.094 0.000 -2.664) 8.522 16.954 ( 8.094 0.000 -2.664) 8.522 17.648 ( -2.701 0.000 -4.768) 5.480 17.648 ( 2.701 0.000 -4.768) 5.480 17.981 ( -4.843 0.000 4.937) 6.915 17.981 ( 4.843 0.000 4.937) 6.915 18.161 ( -6.809 0.000 1.646) 7.005 18.161 ( 6.809 0.000 1.646) 7.005 18.828 ( -2.340 0.000 2.322) 3.297 18.828 ( 2.340 0.000 2.322) 3.297 19.082 ( -3.491 0.000 -1.923) 3.986 19.082 ( 3.491 0.000 -1.923) 3.986 19.227 ( -8.381 0.000 -1.714) 8.554 19.227 ( 8.381 0.000 -1.714) 8.554 19.651 ( -0.568 0.000 0.369) 0.678 19.651 ( 0.568 0.000 0.369) 0.678 20.623 ( -4.525 0.000 -5.401) 7.046 20.623 ( 4.525 0.000 -5.401) 7.046 20.812 ( -2.790 0.000 2.669) 3.861 20.812 ( 2.790 0.000 2.669) 3.861 21.087 ( -5.320 0.000 -0.639) 5.358 21.087 ( 5.320 0.000 -0.639) 5.358 21.833 ( -3.265 0.000 2.202) 3.938 21.833 ( 3.265 0.000 2.202) 3.938 22.213 ( -4.856 0.000 -0.879) 4.935 22.213 ( 4.856 0.000 -0.879) 4.935 ======================= Grid point 88 (31/72) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.000 20.810 19.931) 28.815 0.851 ( 0.000 20.391 22.461) 30.336 1.444 ( 0.000 32.381 37.215) 49.330 2.082 ( 0.000 6.214 -15.826) 17.002 2.262 ( 0.000 -8.871 7.206) 11.429 2.314 ( 0.000 3.812 -11.486) 12.102 2.479 ( 0.000 -12.716 4.274) 13.415 2.732 ( 0.000 -2.674 0.038) 2.675 2.899 ( 0.000 4.247 1.168) 4.405 2.993 ( 0.000 -2.670 6.209) 6.759 3.067 ( 0.000 -2.162 -6.418) 6.772 3.089 ( 0.000 -3.228 1.405) 3.521 3.337 ( 0.000 -0.008 -0.038) 0.039 3.363 ( 0.000 -1.405 5.675) 5.846 3.427 ( 0.000 1.539 -0.366) 1.582 3.497 ( 0.000 1.635 3.373) 3.749 3.554 ( 0.000 1.693 0.175) 1.702 3.838 ( 0.000 1.334 3.238) 3.502 3.898 ( 0.000 3.992 -8.758) 9.625 3.945 ( 0.000 -9.193 -2.247) 9.463 4.143 ( 0.000 0.841 -12.172) 12.201 4.244 ( 0.000 -7.221 -9.804) 12.177 4.498 ( 0.000 -8.233 -3.742) 9.044 4.700 ( 0.000 -2.489 7.212) 7.630 4.755 ( 0.000 -3.621 -3.972) 5.375 4.995 ( 0.000 4.112 -3.423) 5.350 5.113 ( 0.000 2.685 3.555) 4.455 5.169 ( 0.000 4.843 -4.748) 6.783 5.266 ( 0.000 8.645 -3.717) 9.411 5.484 ( 0.000 7.129 -2.738) 7.637 5.542 ( 0.000 -0.263 1.510) 1.532 5.585 ( 0.000 0.017 -1.023) 1.023 5.635 ( 0.000 6.745 -3.885) 7.783 5.804 ( 0.000 5.461 2.221) 5.895 5.858 ( 0.000 -4.680 4.265) 6.332 5.995 ( 0.000 1.506 -0.829) 1.719 6.183 ( 0.000 -3.069 -2.214) 3.784 6.256 ( 0.000 0.485 -1.719) 1.786 6.495 ( 0.000 -4.619 8.158) 9.375 6.660 ( 0.000 -7.820 4.843) 9.198 7.352 ( 0.000 3.465 0.606) 3.518 7.461 ( 0.000 0.882 -1.929) 2.121 7.813 ( 0.000 -1.928 2.157) 2.893 7.871 ( 0.000 0.690 -1.047) 1.254 7.979 ( 0.000 -5.240 2.536) 5.822 8.039 ( 0.000 -1.299 -0.905) 1.584 8.218 ( 0.000 -1.258 5.338) 5.484 8.372 ( 0.000 0.490 0.497) 0.698 8.644 ( 0.000 -7.439 0.891) 7.492 8.933 ( 0.000 5.827 -5.255) 7.846 9.078 ( 0.000 -6.014 1.595) 6.221 9.184 ( 0.000 -1.618 -0.549) 1.709 9.585 ( 0.000 2.211 -1.430) 2.633 9.651 ( 0.000 -0.592 2.087) 2.169 9.690 ( 0.000 1.060 -0.381) 1.126 9.781 ( 0.000 -0.534 0.168) 0.560 10.037 ( 0.000 -1.339 -0.744) 1.531 10.177 ( 0.000 1.127 -1.921) 2.227 10.193 ( 0.000 0.163 -1.428) 1.437 10.282 ( 0.000 -0.190 -2.756) 2.762 10.743 ( 0.000 11.396 -3.638) 11.963 10.835 ( 0.000 5.861 -1.584) 6.072 11.278 ( 0.000 -3.966 2.287) 4.579 11.523 ( 0.000 -7.285 -2.600) 7.735 12.386 ( 0.000 -5.609 8.523) 10.203 12.564 ( 0.000 -10.910 13.005) 16.975 12.716 ( 0.000 0.158 -0.564) 0.586 12.816 ( 0.000 -1.399 -0.314) 1.434 13.136 ( 0.000 -6.908 14.954) 16.473 13.468 ( 0.000 -2.530 -0.063) 2.530 13.857 ( 0.000 3.470 -8.498) 9.179 13.982 ( 0.000 4.907 -8.828) 10.100 14.441 ( 0.000 -0.897 4.270) 4.363 14.732 ( 0.000 2.096 4.926) 5.353 14.816 ( 0.000 5.498 -2.502) 6.041 15.025 ( 0.000 3.563 0.332) 3.579 15.059 ( 0.000 -0.178 -0.912) 0.929 15.268 ( 0.000 0.004 -3.112) 3.112 15.862 ( 0.000 2.072 1.901) 2.812 16.047 ( 0.000 -0.704 -3.108) 3.187 16.317 ( 0.000 -3.118 -2.107) 3.763 16.471 ( 0.000 0.200 -3.498) 3.504 16.809 ( 0.000 -12.698 7.019) 14.509 16.903 ( 0.000 -5.224 2.585) 5.829 17.136 ( 0.000 6.335 1.239) 6.455 17.249 ( 0.000 1.313 -0.169) 1.324 17.696 ( 0.000 -6.170 3.561) 7.124 17.818 ( 0.000 -7.640 -2.085) 7.920 18.036 ( 0.000 2.657 6.150) 6.699 18.390 ( 0.000 0.649 -4.722) 4.766 18.546 ( 0.000 1.346 2.345) 2.704 18.696 ( 0.000 6.684 -1.078) 6.770 19.107 ( 0.000 -2.013 -2.054) 2.876 19.194 ( 0.000 0.328 1.145) 1.191 19.229 ( 0.000 0.828 0.116) 0.836 19.253 ( 0.000 5.524 -6.044) 8.188 19.641 ( 0.000 2.887 0.244) 2.898 19.890 ( 0.000 20.055 -15.351) 25.256 20.224 ( 0.000 -0.253 -0.203) 0.324 20.430 ( 0.000 2.610 -3.185) 4.117 20.661 ( 0.000 8.675 3.976) 9.543 21.036 ( 0.000 0.478 -0.255) 0.542 21.187 ( 0.000 0.719 -4.342) 4.401 21.274 ( 0.000 0.671 -6.848) 6.880 21.874 ( 0.000 -1.794 1.724) 2.487 21.930 ( 0.000 -4.971 3.593) 6.133 22.428 ( 0.000 -7.232 6.886) 9.986 22.575 ( 0.000 -3.283 -0.324) 3.299 ======================= Grid point 89 (32/72) ======================= q-point: ( 0.10 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 14.629 14.731 17.112) 26.904 1.045 ( 15.652 14.354 20.340) 29.406 1.751 ( 27.522 24.631 26.220) 45.294 2.149 ( 6.109 4.510 -14.767) 16.605 2.284 ( 2.799 -7.158 8.048) 11.129 2.340 ( 2.186 4.370 -9.944) 11.080 2.533 ( 4.857 -12.458 3.090) 13.724 2.761 ( 3.260 -2.711 -0.598) 4.282 2.893 ( -0.788 3.117 1.058) 3.385 3.004 ( -0.212 -3.038 1.762) 3.518 3.050 ( -0.728 1.113 1.110) 1.733 3.085 ( -0.085 -4.451 -3.294) 5.538 3.298 ( -3.194 -2.011 4.212) 5.656 3.338 ( -1.584 2.725 0.382) 3.175 3.403 ( -2.885 0.322 -0.155) 2.907 3.507 ( 0.258 0.079 1.807) 1.827 3.551 ( -0.407 3.459 2.082) 4.057 3.775 ( -4.898 0.768 0.878) 5.035 3.888 ( -0.885 -0.703 -6.826) 6.919 3.949 ( -0.790 -4.627 -1.783) 5.021 4.085 ( -6.004 -0.881 -6.684) 9.028 4.262 ( 1.940 -2.883 -13.295) 13.741 4.499 ( -0.497 -6.153 -3.198) 6.952 4.665 ( -2.801 -2.428 6.458) 7.446 4.769 ( 1.685 -5.687 -4.618) 7.517 5.006 ( -1.324 3.341 -1.621) 3.942 5.029 ( -6.866 5.150 -1.419) 8.700 5.184 ( 2.991 5.117 -0.784) 5.979 5.252 ( -0.804 8.025 -2.212) 8.363 5.414 ( -2.788 6.367 -0.090) 6.951 5.509 ( -0.567 0.460 4.733) 4.789 5.628 ( 3.504 1.189 0.970) 3.826 5.759 ( 4.022 1.819 -3.696) 5.757 5.848 ( 4.915 1.462 -0.881) 5.203 5.934 ( 6.421 -2.664 1.658) 7.146 6.038 ( 3.980 0.643 -1.370) 4.258 6.184 ( -0.343 -2.099 -0.844) 2.289 6.259 ( 0.701 -0.097 0.233) 0.745 6.460 ( -3.233 -3.003 6.544) 7.892 6.635 ( -3.178 -8.999 1.866) 9.725 7.338 ( -0.825 2.492 1.121) 2.854 7.479 ( 1.401 1.342 -2.459) 3.132 7.781 ( -3.308 -1.578 2.945) 4.702 7.866 ( -0.607 0.377 -1.210) 1.405 7.938 ( -2.588 -1.094 2.532) 3.783 8.026 ( -0.896 0.506 -0.055) 1.031 8.213 ( 0.206 -2.037 5.088) 5.485 8.430 ( 4.233 -0.148 -0.500) 4.265 8.565 ( -6.822 -6.398 0.556) 9.370 8.824 ( -8.718 5.088 -4.010) 10.862 9.052 ( -2.500 -7.525 2.369) 8.276 9.197 ( -0.790 -4.542 -0.746) 4.670 9.527 ( -0.388 -0.080 2.285) 2.320 9.678 ( -0.218 1.977 -1.528) 2.508 9.731 ( 1.213 0.731 -0.720) 1.589 9.792 ( 0.658 1.820 -1.419) 2.400 10.091 ( 4.593 -1.205 -0.894) 4.832 10.153 ( -0.242 2.039 0.397) 2.092 10.264 ( 5.801 1.382 -2.933) 6.646 10.375 ( 7.444 -3.481 -5.022) 9.631 10.826 ( 8.197 9.386 -1.541) 12.557 10.901 ( 6.310 5.424 -1.027) 8.384 11.376 ( 8.277 -3.291 -1.623) 9.054 11.567 ( 4.268 -6.452 -3.384) 8.443 12.390 ( 0.374 -5.400 8.797) 10.329 12.519 ( -3.528 -8.005 14.379) 16.831 12.729 ( 0.965 0.728 -0.103) 1.213 12.816 ( -1.374 -2.298 1.187) 2.929 13.031 ( -4.592 7.141 9.754) 12.932 13.528 ( 2.330 -5.575 -0.284) 6.049 13.819 ( -3.736 1.275 -6.341) 7.469 13.963 ( -0.517 0.881 -8.695) 8.754 14.421 ( -2.734 0.354 4.826) 5.558 14.589 ( -8.769 5.622 2.865) 10.803 14.719 ( -2.435 4.535 2.432) 5.693 14.949 ( -5.628 0.922 -1.054) 5.799 15.181 ( 0.749 -1.810 1.446) 2.435 15.279 ( 2.125 0.103 -2.378) 3.191 15.758 ( -9.680 4.172 2.553) 10.846 16.079 ( 3.347 -0.664 -3.338) 4.773 16.293 ( -0.312 -2.861 -3.131) 4.253 16.419 ( -4.024 1.297 -3.766) 5.662 16.818 ( -1.425 -7.573 6.984) 10.400 16.979 ( 5.679 -7.342 0.950) 9.331 17.251 ( 3.606 1.696 -1.860) 4.398 17.302 ( 9.610 1.267 -2.397) 9.985 17.707 ( 1.182 -5.166 3.825) 6.536 17.853 ( 1.852 -5.059 -1.376) 5.560 18.018 ( -0.950 5.356 4.526) 7.077 18.419 ( 2.500 0.199 -5.592) 6.128 18.581 ( 3.297 -1.062 2.780) 4.441 18.723 ( 2.607 5.134 -0.986) 5.842 19.037 ( -4.292 1.755 0.213) 4.642 19.118 ( -2.190 0.075 -2.517) 3.337 19.228 ( 0.877 -2.283 1.808) 3.041 19.403 ( 4.473 -6.818 -3.172) 8.749 19.656 ( 1.349 4.756 0.712) 4.995 19.953 ( 4.114 11.076 -11.649) 16.592 20.247 ( 2.083 0.848 -2.693) 3.509 20.449 ( 1.760 2.788 -5.311) 6.251 20.680 ( 2.235 6.960 3.675) 8.182 21.012 ( -1.970 0.768 2.277) 3.107 21.151 ( -4.032 1.296 -4.297) 6.034 21.291 ( 1.670 -0.272 -8.401) 8.569 21.866 ( -1.786 -1.864 2.415) 3.535 21.911 ( -1.033 -5.127 4.248) 6.738 22.295 ( -7.493 1.397 8.881) 11.703 22.603 ( -0.877 -5.073 -3.344) 6.139 ======================= Grid point 90 (33/72) ======================= q-point: ( 0.20 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 22.170 5.924 11.029) 25.460 1.391 ( 19.373 10.086 14.188) 26.045 2.200 ( 9.374 -0.860 -1.676) 9.561 2.287 ( 5.770 2.238 -4.017) 7.378 2.348 ( 3.230 -2.557 4.082) 5.800 2.510 ( 22.392 10.532 5.077) 25.260 2.627 ( 4.678 -10.241 2.408) 11.514 2.817 ( -0.788 -1.486 0.711) 1.826 2.880 ( -0.204 -0.927 -3.628) 3.750 2.966 ( -0.305 0.618 -0.152) 0.706 3.049 ( -1.875 -0.808 -3.268) 3.853 3.101 ( 2.830 -0.164 -0.857) 2.962 3.245 ( -2.121 -1.877 4.835) 5.604 3.292 ( -3.982 1.776 -0.223) 4.366 3.340 ( -2.369 1.110 -1.782) 3.166 3.466 ( -4.179 2.658 0.640) 4.994 3.562 ( 1.410 3.415 2.207) 4.304 3.676 ( -5.353 -0.837 2.805) 6.101 3.856 ( -2.930 -2.570 -4.770) 6.160 3.913 ( -2.380 -2.340 -1.022) 3.491 3.957 ( -5.469 -1.344 -3.161) 6.458 4.311 ( 2.841 3.936 -10.741) 11.786 4.475 ( -0.987 -4.582 -1.804) 5.023 4.614 ( -2.380 -3.637 2.972) 5.265 4.824 ( 3.202 -4.664 -3.241) 6.520 4.856 ( -6.602 4.549 -0.068) 8.018 5.011 ( -1.397 2.587 -3.125) 4.291 5.201 ( 0.461 3.696 -1.559) 4.038 5.300 ( 3.965 8.705 -0.161) 9.567 5.396 ( -0.322 3.062 2.318) 3.854 5.494 ( -0.547 2.666 5.446) 6.088 5.674 ( 1.116 2.228 -1.847) 3.102 5.815 ( 1.881 0.373 0.663) 2.029 5.928 ( 2.626 -0.251 -1.202) 2.899 6.073 ( 7.667 -3.058 1.294) 8.355 6.134 ( 4.775 -1.489 -0.694) 5.050 6.174 ( 0.904 -1.472 1.851) 2.531 6.275 ( 0.281 -2.293 0.991) 2.514 6.394 ( -2.846 -2.084 1.505) 3.835 6.534 ( -6.821 -6.675 -0.857) 9.582 7.338 ( 0.936 1.300 1.693) 2.331 7.505 ( 1.176 1.667 -2.799) 3.463 7.707 ( -3.535 0.219 4.064) 5.390 7.837 ( -2.159 0.150 -1.092) 2.424 7.918 ( -0.109 0.649 1.932) 2.041 8.005 ( -1.544 1.620 1.261) 2.568 8.228 ( 0.985 -3.056 3.640) 4.854 8.421 ( -6.372 -2.308 0.893) 6.836 8.469 ( -3.341 -2.908 -1.815) 4.787 8.675 ( -4.815 3.745 -2.915) 6.761 9.003 ( -2.229 -10.042 1.303) 10.369 9.133 ( -4.935 -6.186 -1.125) 7.992 9.547 ( 1.654 0.432 1.768) 2.459 9.652 ( -2.049 3.229 -0.551) 3.864 9.737 ( -0.423 1.667 -1.440) 2.243 9.793 ( -0.554 4.770 -1.951) 5.183 10.162 ( 4.113 0.997 1.613) 4.529 10.231 ( 6.236 -0.139 0.053) 6.238 10.387 ( 6.896 0.105 -2.716) 7.412 10.508 ( 5.911 -3.807 -5.490) 8.920 11.022 ( 10.940 6.866 0.177) 12.917 11.046 ( 7.998 4.853 0.228) 9.358 11.538 ( 7.886 -2.030 -3.321) 8.794 11.667 ( 5.524 -4.308 -4.751) 8.464 12.400 ( 0.607 -4.338 10.607) 11.476 12.468 ( -1.136 -3.769 11.545) 12.197 12.744 ( -2.388 0.852 0.408) 2.568 12.759 ( 0.227 2.150 2.206) 3.089 13.045 ( 4.164 7.054 1.698) 8.366 13.475 ( -8.182 1.291 -3.422) 8.963 13.760 ( -0.493 -3.950 -0.587) 4.023 13.991 ( 2.514 -7.405 -5.652) 9.649 14.368 ( -1.174 2.595 3.856) 4.794 14.511 ( -2.127 3.318 -0.236) 3.948 14.656 ( -3.846 3.250 2.438) 5.595 14.839 ( -5.325 0.340 -1.747) 5.615 15.118 ( -5.206 1.075 4.374) 6.884 15.308 ( 0.037 -2.472 0.622) 2.550 15.564 ( -9.652 5.773 1.098) 11.300 16.040 ( -8.820 -3.935 -10.962) 14.609 16.319 ( 4.383 0.930 0.257) 4.488 16.430 ( 4.651 0.113 -1.541) 4.901 16.760 ( -3.588 -2.668 8.325) 9.450 17.087 ( 4.731 -9.135 -1.521) 10.399 17.340 ( 6.362 3.541 -1.536) 7.441 17.467 ( 6.786 1.512 -5.382) 8.792 17.741 ( 2.148 -2.508 3.896) 5.107 17.854 ( -0.537 -0.842 2.344) 2.547 18.029 ( 2.041 6.483 3.672) 7.725 18.454 ( 0.255 -0.830 -4.742) 4.821 18.661 ( 4.703 -3.415 1.918) 6.121 18.779 ( 2.795 0.881 -1.010) 3.100 18.994 ( -0.940 -0.306 -0.056) 0.990 19.070 ( -2.505 -1.398 -0.991) 3.035 19.231 ( -0.894 -2.219 1.864) 3.033 19.428 ( -0.628 -9.955 -2.193) 10.213 19.672 ( 0.149 7.408 1.241) 7.513 20.002 ( -0.145 7.038 -10.501) 12.643 20.275 ( 1.897 -2.199 3.203) 4.324 20.502 ( 3.600 2.781 -6.458) 7.900 20.738 ( 3.168 2.522 2.118) 4.570 20.967 ( -2.731 1.612 3.612) 4.806 21.065 ( -3.843 1.777 -2.886) 5.124 21.308 ( -0.593 -1.862 -9.137) 9.344 21.800 ( -3.603 -1.267 6.475) 7.518 21.915 ( 0.652 -3.416 1.443) 3.765 22.201 ( -2.986 4.285 5.296) 7.438 22.538 ( -5.216 -3.384 -4.180) 7.492 ======================= Grid point 91 (34/72) ======================= q-point: ( 0.30 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 19.372 4.260 5.679) 20.631 1.767 ( 20.125 4.724 8.895) 22.504 2.219 ( -5.345 -0.105 1.159) 5.470 2.333 ( 4.281 -4.030 0.262) 5.885 2.479 ( 7.066 -1.679 -3.553) 8.086 2.640 ( -0.492 -7.360 -0.476) 7.392 2.731 ( -6.610 0.313 -4.337) 7.912 2.828 ( -1.997 -3.908 -1.118) 4.528 2.904 ( 6.563 2.285 2.021) 7.238 2.959 ( -5.029 1.372 -0.974) 5.303 3.002 ( -0.611 -0.181 -2.107) 2.202 3.146 ( -2.975 -0.680 -1.904) 3.597 3.219 ( -2.301 1.589 0.241) 2.807 3.266 ( 0.377 1.728 -0.317) 1.797 3.316 ( 0.129 3.036 -2.476) 3.919 3.429 ( 4.187 3.424 5.398) 7.642 3.512 ( -2.355 1.670 3.165) 4.284 3.665 ( 2.950 0.147 1.250) 3.207 3.787 ( -2.137 -2.422 -1.464) 3.546 3.898 ( 2.352 -2.782 -0.053) 3.643 3.910 ( 0.606 2.349 -1.005) 2.626 4.348 ( 1.245 4.789 -0.607) 4.985 4.491 ( 1.109 -3.374 -1.258) 3.768 4.584 ( 0.549 -1.261 -3.116) 3.406 4.741 ( -4.705 3.324 -1.519) 5.958 4.875 ( -0.518 -1.785 4.244) 4.633 5.014 ( 3.412 -1.367 -5.990) 7.027 5.217 ( 0.393 1.124 -3.312) 3.519 5.334 ( -1.031 7.289 4.263) 8.507 5.398 ( 1.205 3.145 2.851) 4.413 5.508 ( 1.727 2.897 2.034) 3.939 5.678 ( -0.339 2.931 -2.104) 3.624 5.816 ( -1.608 0.755 1.687) 2.450 5.946 ( -0.852 -1.535 0.466) 1.816 6.142 ( -0.568 -1.142 1.324) 1.839 6.196 ( 3.846 -2.425 0.976) 4.650 6.253 ( -1.044 -3.940 0.282) 4.085 6.288 ( 5.554 -3.105 0.019) 6.363 6.378 ( 0.851 -2.375 -0.664) 2.608 6.416 ( -3.463 -2.462 -3.081) 5.249 7.371 ( 2.274 0.822 1.963) 3.115 7.517 ( -0.207 2.798 -1.306) 3.095 7.670 ( -0.024 0.957 3.553) 3.679 7.794 ( -2.292 1.298 -1.101) 2.855 7.911 ( -0.681 -1.725 2.679) 3.258 7.963 ( -2.521 1.299 1.798) 3.358 8.214 ( -3.622 -5.379 -0.165) 6.487 8.310 ( -8.410 -3.193 -1.861) 9.186 8.361 ( -0.977 2.940 3.093) 4.378 8.635 ( -1.360 1.229 -2.348) 2.979 8.969 ( -1.380 -9.610 0.166) 9.710 9.043 ( -3.901 -6.258 -1.155) 7.464 9.583 ( 2.124 1.792 0.546) 2.832 9.611 ( -1.972 4.679 0.429) 5.096 9.708 ( -2.491 3.779 -0.928) 4.621 9.787 ( 0.107 4.237 -2.385) 4.863 10.256 ( 5.121 -0.297 2.224) 5.591 10.341 ( 4.775 -0.793 0.390) 4.856 10.516 ( 6.198 -0.943 -2.923) 6.918 10.602 ( 3.920 -2.970 -4.657) 6.773 11.183 ( 6.191 4.425 1.545) 7.765 11.206 ( 7.337 5.206 1.336) 9.095 11.667 ( 5.499 -1.773 -3.091) 6.553 11.759 ( 3.648 -2.707 -4.971) 6.734 12.416 ( 1.317 -1.991 11.180) 11.432 12.482 ( 2.284 -2.098 5.658) 6.452 12.679 ( -2.878 1.783 0.286) 3.398 12.819 ( 4.322 0.961 0.520) 4.458 13.131 ( 3.719 4.716 -0.938) 6.079 13.281 ( -9.504 5.020 -3.583) 11.329 13.802 ( 4.108 -7.031 3.106) 8.715 14.023 ( 0.562 -9.376 -1.292) 9.481 14.382 ( 1.873 2.051 0.652) 2.853 14.462 ( -2.880 3.747 -0.170) 4.729 14.589 ( -2.978 2.970 1.830) 4.587 14.747 ( -4.488 0.411 -1.155) 4.652 15.030 ( -2.983 1.897 3.937) 5.292 15.268 ( -4.736 -2.120 1.355) 5.363 15.416 ( -4.791 4.199 -0.454) 6.387 15.828 ( -11.643 -3.087 -10.728) 16.130 16.420 ( 5.220 0.461 1.245) 5.386 16.529 ( 4.160 -0.671 0.166) 4.217 16.721 ( 0.685 0.114 6.188) 6.227 17.130 ( -0.626 -6.815 -3.666) 7.764 17.478 ( 7.041 3.677 -3.377) 8.632 17.569 ( 4.054 0.666 -5.768) 7.081 17.788 ( 3.265 -0.260 5.706) 6.579 17.876 ( 2.659 -2.732 4.466) 5.872 18.088 ( 3.844 7.035 3.203) 8.633 18.414 ( -4.135 -0.476 -2.849) 5.044 18.743 ( 3.340 -4.088 0.987) 5.370 18.822 ( 1.655 -3.169 0.073) 3.576 18.987 ( 0.468 -0.355 -0.576) 0.823 19.039 ( -0.824 -1.212 0.625) 1.593 19.190 ( -2.943 0.998 0.766) 3.201 19.397 ( -2.935 -11.510 -2.778) 12.199 19.680 ( 1.070 7.618 1.196) 7.786 19.928 ( -6.119 10.588 -7.046) 14.113 20.352 ( 5.164 -5.002 3.239) 7.885 20.571 ( 3.150 -1.129 -4.249) 5.408 20.788 ( 1.953 0.725 1.503) 2.568 20.916 ( -2.185 2.179 0.097) 3.087 21.017 ( -1.407 1.993 0.122) 2.443 21.259 ( -4.295 -3.578 -6.757) 8.770 21.765 ( 0.206 1.297 5.907) 6.051 21.921 ( -0.187 -1.654 0.638) 1.782 22.158 ( -1.609 3.016 2.674) 4.339 22.425 ( -6.219 -2.231 -3.712) 7.578 ======================= Grid point 92 (35/72) ======================= q-point: ( 0.40 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 7.815 4.654 3.503) 9.748 2.084 ( -1.426 2.004 3.398) 4.195 2.165 ( 14.235 0.158 2.946) 14.538 2.424 ( 4.470 -3.814 0.306) 5.884 2.548 ( -0.151 -1.204 -1.677) 2.070 2.615 ( -2.522 -0.622 -1.666) 3.086 2.681 ( 4.525 -3.607 -4.881) 7.571 2.769 ( -4.820 -2.294 -0.292) 5.346 2.833 ( -5.262 2.269 -0.768) 5.782 2.890 ( -3.335 2.222 1.456) 4.263 3.007 ( -3.883 -0.686 -5.292) 6.600 3.054 ( -2.499 0.395 3.798) 4.564 3.135 ( -6.720 3.262 0.734) 7.506 3.199 ( -4.523 -1.661 -2.767) 5.557 3.316 ( 2.187 1.886 -4.899) 5.687 3.435 ( 0.469 0.756 -0.132) 0.899 3.555 ( -1.498 1.789 0.772) 2.458 3.648 ( -3.564 0.100 1.854) 4.018 3.853 ( 5.363 -1.718 0.400) 5.646 3.922 ( 1.128 -4.003 -2.878) 5.057 4.161 ( 20.738 1.780 3.329) 21.079 4.383 ( 2.669 3.612 3.231) 5.533 4.478 ( -0.671 0.919 -0.230) 1.161 4.630 ( 1.850 -0.671 -0.915) 2.170 4.657 ( -3.757 2.471 0.094) 4.498 4.833 ( -3.874 -1.525 3.557) 5.476 5.096 ( 3.705 -3.438 -0.809) 5.118 5.201 ( -2.083 -2.554 -0.829) 3.398 5.315 ( -0.084 4.171 1.555) 4.452 5.394 ( -2.320 5.059 2.056) 5.933 5.554 ( 3.597 0.999 -0.186) 3.738 5.680 ( 0.353 2.946 -2.280) 3.742 5.776 ( -1.658 4.316 1.083) 4.748 5.888 ( -4.900 -1.330 0.490) 5.101 6.139 ( 0.469 0.146 0.057) 0.495 6.190 ( -2.196 -0.200 -0.172) 2.212 6.263 ( 1.787 -2.819 -0.790) 3.430 6.321 ( -1.062 -3.578 -3.335) 5.005 6.422 ( 3.557 -2.897 0.685) 4.639 6.440 ( 2.493 -2.942 -0.125) 3.858 7.415 ( 2.226 1.523 2.080) 3.406 7.496 ( -1.844 3.897 0.575) 4.349 7.694 ( 1.770 1.231 2.314) 3.163 7.749 ( -2.209 1.973 1.052) 3.143 7.900 ( 0.206 -3.696 1.905) 4.163 7.935 ( -0.178 -1.240 0.843) 1.510 8.120 ( -4.949 -4.160 -1.291) 6.593 8.144 ( -7.436 -2.504 -1.299) 7.953 8.411 ( 4.359 2.289 2.473) 5.510 8.589 ( -3.533 1.152 -1.202) 3.906 8.951 ( -0.417 -7.536 -0.290) 7.554 8.987 ( -2.163 -6.246 -0.972) 6.681 9.582 ( -0.736 5.190 0.716) 5.291 9.615 ( -0.450 3.841 -0.989) 3.992 9.680 ( 1.244 4.074 0.037) 4.259 9.780 ( -1.244 3.073 -2.709) 4.281 10.345 ( 3.933 -1.162 2.036) 4.579 10.403 ( 1.535 -1.350 1.139) 2.340 10.614 ( 3.877 -1.238 -3.310) 5.245 10.656 ( 1.653 -2.165 -4.150) 4.964 11.276 ( 3.436 3.911 2.414) 5.738 11.300 ( 2.608 4.156 2.383) 5.454 11.749 ( 3.068 -2.022 -3.038) 4.768 11.799 ( 0.657 -2.344 -4.122) 4.788 12.453 ( 2.437 -0.286 7.634) 8.019 12.525 ( 0.840 -0.768 3.804) 3.970 12.656 ( 1.625 0.980 -0.091) 1.900 12.856 ( -2.795 -2.132 -1.971) 4.030 13.138 ( 0.862 6.014 -0.004) 6.076 13.222 ( 0.816 5.907 -1.911) 6.262 13.893 ( 4.865 -9.059 3.347) 10.814 14.015 ( -1.374 -9.660 1.064) 9.815 14.399 ( -0.295 2.893 1.130) 3.120 14.441 ( 0.807 2.551 0.846) 2.806 14.538 ( -1.850 4.690 0.670) 5.086 14.658 ( -4.866 1.067 -0.654) 5.024 15.015 ( 1.082 1.672 1.820) 2.698 15.150 ( -6.096 1.498 1.317) 6.414 15.387 ( 1.366 -0.669 -1.998) 2.511 15.619 ( -9.755 -2.641 -8.485) 13.196 16.503 ( 3.273 0.454 2.313) 4.034 16.563 ( -0.034 0.322 4.034) 4.047 16.802 ( 6.791 0.015 0.123) 6.792 17.069 ( -5.290 -3.544 -3.908) 7.471 17.578 ( 3.496 2.333 -4.120) 5.885 17.631 ( 1.984 -1.694 -4.209) 4.952 17.873 ( 5.048 -1.847 5.179) 7.464 17.932 ( 2.570 -3.226 3.752) 5.576 18.162 ( 3.523 7.267 2.277) 8.391 18.318 ( -5.202 2.149 -1.111) 5.737 18.785 ( 1.507 -3.311 1.131) 3.809 18.845 ( 0.318 -3.427 2.631) 4.332 19.011 ( 1.601 2.172 -1.181) 2.945 19.037 ( 1.337 -4.704 -0.100) 4.892 19.144 ( -1.378 0.705 -0.340) 1.585 19.300 ( -7.029 -9.127 -3.283) 11.979 19.714 ( 2.304 7.954 0.928) 8.333 19.823 ( -4.162 11.787 -1.959) 12.653 20.450 ( 5.071 -6.700 -0.676) 8.430 20.600 ( -0.755 -5.689 -3.254) 6.598 20.817 ( 1.508 2.592 1.230) 3.241 20.886 ( -1.354 2.329 -1.191) 2.945 21.013 ( 1.238 0.669 0.951) 1.698 21.160 ( -5.481 -3.746 -3.189) 7.365 21.799 ( 2.903 2.594 3.866) 5.487 21.903 ( -1.686 0.954 1.167) 2.261 22.149 ( 1.037 0.545 0.756) 1.394 22.306 ( -6.013 -1.690 -2.603) 6.767 ======================= Grid point 93 (36/72) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -0.472 3.557 2.745) 4.518 2.045 ( 0.472 3.557 2.745) 4.518 2.426 ( -8.606 -1.784 -1.855) 8.982 2.426 ( 8.606 -1.784 -1.855) 8.982 2.569 ( -4.648 -0.560 0.129) 4.684 2.569 ( 4.648 -0.560 0.129) 4.684 2.710 ( -3.256 -1.067 1.139) 3.611 2.710 ( 3.256 -1.067 1.139) 3.611 2.835 ( -3.445 0.431 -1.427) 3.753 2.835 ( 3.445 0.431 -1.427) 3.753 2.960 ( -5.064 2.089 0.340) 5.489 2.960 ( 5.064 2.089 0.340) 5.489 3.119 ( -3.436 -1.304 -1.327) 3.907 3.119 ( 3.436 -1.304 -1.327) 3.907 3.391 ( -4.699 2.933 -4.846) 7.360 3.391 ( 4.699 2.933 -4.846) 7.360 3.572 ( -3.672 0.610 2.382) 4.419 3.572 ( 3.672 0.610 2.382) 4.419 3.923 ( -1.655 -3.959 -2.444) 4.938 3.923 ( 1.655 -3.959 -2.444) 4.938 4.395 ( -3.786 2.119 0.485) 4.366 4.395 ( 3.786 2.119 0.485) 4.366 4.584 ( -6.884 -1.614 1.009) 7.143 4.584 ( 6.884 -1.614 1.009) 7.143 4.688 ( -8.308 2.123 5.746) 10.322 4.688 ( 8.308 2.123 5.746) 10.322 5.153 ( -2.629 -3.724 0.443) 4.580 5.153 ( 2.629 -3.724 0.443) 4.580 5.338 ( -2.457 3.437 1.098) 4.365 5.338 ( 2.457 3.437 1.098) 4.365 5.643 ( -4.495 1.115 -2.291) 5.167 5.643 ( 4.495 1.115 -2.291) 5.167 5.795 ( -3.698 3.990 0.040) 5.440 5.795 ( 3.698 3.990 0.040) 5.440 6.158 ( -1.328 0.810 -0.031) 1.555 6.158 ( 1.328 0.810 -0.031) 1.555 6.296 ( -1.513 -3.592 -2.347) 4.550 6.296 ( 1.513 -3.592 -2.347) 4.550 6.462 ( -0.409 -3.035 0.671) 3.135 6.462 ( 0.409 -3.035 0.671) 3.135 7.456 ( -2.089 3.059 1.634) 4.048 7.456 ( 2.089 3.059 1.634) 4.048 7.719 ( -1.016 1.850 2.320) 3.137 7.719 ( 1.016 1.850 2.320) 3.137 7.928 ( -1.616 -3.850 0.387) 4.193 7.928 ( 1.616 -3.850 0.387) 4.193 8.061 ( -0.170 -2.838 -0.995) 3.012 8.061 ( 0.170 -2.838 -0.995) 3.012 8.505 ( -4.999 1.882 0.596) 5.374 8.505 ( 4.999 1.882 0.596) 5.374 8.956 ( -0.981 -6.382 -0.631) 6.487 8.956 ( 0.981 -6.382 -0.631) 6.487 9.587 ( -1.232 5.321 0.185) 5.465 9.587 ( 1.232 5.321 0.185) 5.465 9.735 ( -3.177 2.917 -1.838) 4.688 9.735 ( 3.177 2.917 -1.838) 4.688 10.400 ( -1.667 -1.470 1.699) 2.798 10.400 ( 1.667 -1.470 1.699) 2.798 10.662 ( -1.084 -1.562 -3.745) 4.200 10.662 ( 1.084 -1.562 -3.745) 4.200 11.316 ( -0.731 3.719 2.733) 4.673 11.316 ( 0.731 3.719 2.733) 4.673 11.791 ( -1.383 -2.278 -3.359) 4.288 11.791 ( 1.383 -2.278 -3.359) 4.288 12.502 ( -2.388 0.377 4.739) 5.320 12.502 ( 2.388 0.377 4.739) 5.320 12.746 ( -6.543 -1.044 -1.328) 6.758 12.746 ( 6.543 -1.044 -1.328) 6.758 13.201 ( -3.249 5.714 -0.505) 6.593 13.201 ( 3.249 5.714 -0.505) 6.593 13.972 ( -3.138 -10.129 2.150) 10.820 13.972 ( 3.138 -10.129 2.150) 10.820 14.419 ( -2.326 3.543 2.197) 4.774 14.419 ( 2.326 3.543 2.197) 4.774 14.566 ( -4.196 2.908 -0.789) 5.166 14.566 ( 4.196 2.908 -0.789) 5.166 15.059 ( -3.396 1.919 1.502) 4.180 15.059 ( 3.396 1.919 1.502) 4.180 15.463 ( -6.314 -2.263 -5.312) 8.556 15.463 ( 6.314 -2.263 -5.312) 8.556 16.548 ( -1.478 0.776 3.679) 4.040 16.548 ( 1.478 0.776 3.679) 4.040 16.944 ( -7.359 -1.338 -2.615) 7.923 16.944 ( 7.359 -1.338 -2.615) 7.924 17.630 ( -1.835 -0.851 -3.366) 3.927 17.630 ( 1.835 -0.851 -3.366) 3.927 17.946 ( -1.696 -3.270 3.145) 4.843 17.946 ( 1.696 -3.270 3.145) 4.843 18.229 ( -3.936 6.067 0.931) 7.291 18.229 ( 3.936 6.067 0.931) 7.291 18.820 ( -2.187 -2.225 2.899) 4.259 18.820 ( 2.187 -2.225 2.899) 4.259 19.054 ( -1.352 -2.483 -2.101) 3.522 19.054 ( 1.352 -2.483 -2.101) 3.522 19.166 ( -5.075 -3.395 -1.210) 6.225 19.166 ( 5.075 -3.395 -1.210) 6.225 19.762 ( -2.647 9.675 0.251) 10.034 19.762 ( 2.647 9.675 0.251) 10.034 20.544 ( -4.426 -7.248 -3.040) 9.020 20.544 ( 4.426 -7.248 -3.040) 9.020 20.853 ( -2.011 3.155 0.494) 3.774 20.853 ( 2.011 3.155 0.494) 3.774 21.066 ( -4.078 -2.053 -0.613) 4.607 21.066 ( 4.078 -2.053 -0.613) 4.607 21.858 ( -2.895 2.489 2.295) 4.455 21.858 ( 2.895 2.489 2.295) 4.455 22.203 ( -4.403 -1.072 -1.070) 4.656 22.203 ( 4.403 -1.072 -1.070) 4.656 ======================= Grid point 99 (37/72) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 23.018 15.438) 27.716 1.270 ( 0.000 23.478 15.015) 27.869 1.971 ( 0.000 -8.489 14.265) 16.600 2.103 ( 0.000 -15.499 1.192) 15.545 2.162 ( 0.000 27.996 11.960) 30.444 2.304 ( 0.000 7.540 -6.212) 9.769 2.489 ( 0.000 12.576 -8.294) 15.065 2.656 ( 0.000 -5.819 -3.956) 7.037 2.837 ( 0.000 -10.810 -2.921) 11.197 2.993 ( 0.000 3.001 -0.350) 3.021 3.021 ( 0.000 -0.727 1.046) 1.274 3.083 ( 0.000 0.065 3.751) 3.752 3.248 ( 0.000 -6.288 6.455) 9.011 3.401 ( 0.000 2.348 -4.242) 4.849 3.437 ( 0.000 -0.544 2.424) 2.485 3.510 ( 0.000 -1.058 1.243) 1.632 3.614 ( 0.000 -1.318 2.056) 2.442 3.745 ( 0.000 -11.613 -0.397) 11.620 3.761 ( 0.000 -2.716 0.671) 2.798 4.014 ( 0.000 6.968 -1.037) 7.044 4.074 ( 0.000 -9.960 -2.502) 10.269 4.193 ( 0.000 0.957 -8.632) 8.684 4.368 ( 0.000 -0.753 -11.009) 11.034 4.612 ( 0.000 -6.819 -4.817) 8.349 4.746 ( 0.000 3.543 1.317) 3.780 4.993 ( 0.000 -5.248 -3.240) 6.168 5.227 ( 0.000 8.183 -2.569) 8.577 5.291 ( 0.000 7.259 0.239) 7.263 5.375 ( 0.000 3.359 -3.429) 4.800 5.503 ( 0.000 -0.375 1.330) 1.382 5.559 ( 0.000 0.539 2.469) 2.527 5.634 ( 0.000 4.665 -1.156) 4.806 5.721 ( 0.000 -5.419 2.398) 5.926 5.776 ( 0.000 1.698 -2.345) 2.896 5.906 ( 0.000 3.806 -6.660) 7.671 6.000 ( 0.000 -0.707 -0.787) 1.058 6.145 ( 0.000 -0.118 1.929) 1.932 6.252 ( 0.000 -1.406 2.563) 2.924 6.410 ( 0.000 -2.895 6.733) 7.329 6.528 ( 0.000 -6.351 4.911) 8.029 7.428 ( 0.000 3.698 0.272) 3.708 7.475 ( 0.000 0.695 0.124) 0.706 7.784 ( 0.000 0.017 1.943) 1.943 7.891 ( 0.000 0.046 -1.641) 1.642 7.922 ( 0.000 -0.267 1.492) 1.516 8.022 ( 0.000 -1.789 -2.782) 3.307 8.198 ( 0.000 -0.131 3.695) 3.697 8.331 ( 0.000 -5.574 -0.673) 5.615 8.602 ( 0.000 4.099 3.898) 5.657 8.927 ( 0.000 -9.463 1.711) 9.617 9.020 ( 0.000 3.503 -5.968) 6.920 9.138 ( 0.000 -3.097 -2.890) 4.236 9.614 ( 0.000 1.276 -0.167) 1.287 9.642 ( 0.000 -0.374 2.593) 2.620 9.702 ( 0.000 0.819 -0.566) 0.996 9.760 ( 0.000 -1.612 0.171) 1.621 10.046 ( 0.000 1.868 -0.488) 1.931 10.149 ( 0.000 -2.536 -2.003) 3.231 10.229 ( 0.000 2.010 -1.623) 2.583 10.276 ( 0.000 -0.538 -1.678) 1.762 10.924 ( 0.000 7.537 -2.514) 7.945 10.978 ( 0.000 9.063 -2.661) 9.446 11.183 ( 0.000 -5.415 1.996) 5.772 11.368 ( 0.000 -9.046 -2.501) 9.385 12.311 ( 0.000 -1.062 10.757) 10.809 12.424 ( 0.000 -5.475 10.306) 11.670 12.725 ( 0.000 0.799 0.217) 0.828 12.780 ( 0.000 -2.078 0.842) 2.242 13.160 ( 0.000 5.557 5.823) 8.049 13.397 ( 0.000 -5.158 0.721) 5.209 13.917 ( 0.000 3.443 -8.682) 9.340 14.026 ( 0.000 -0.194 -10.994) 10.996 14.457 ( 0.000 3.011 9.428) 9.897 14.659 ( 0.000 -5.864 10.864) 12.346 14.936 ( 0.000 5.062 -3.442) 6.121 15.047 ( 0.000 -1.240 -1.162) 1.699 15.114 ( 0.000 5.197 -1.119) 5.316 15.253 ( 0.000 -1.735 -2.962) 3.433 15.914 ( 0.000 3.407 -0.378) 3.428 16.027 ( 0.000 -1.697 -4.547) 4.854 16.297 ( 0.000 1.117 -0.160) 1.128 16.447 ( 0.000 -3.346 1.593) 3.706 16.640 ( 0.000 -4.068 1.574) 4.362 16.788 ( 0.000 -7.123 -0.253) 7.127 17.247 ( 0.000 4.943 0.261) 4.950 17.281 ( 0.000 1.952 0.066) 1.953 17.624 ( 0.000 -2.292 1.409) 2.690 17.687 ( 0.000 -5.708 -1.258) 5.845 18.107 ( 0.000 4.917 5.293) 7.225 18.330 ( 0.000 -5.814 -0.316) 5.823 18.627 ( 0.000 6.112 -0.544) 6.136 18.780 ( 0.000 0.990 -3.646) 3.778 19.093 ( 0.000 0.858 0.586) 1.039 19.172 ( 0.000 -2.076 2.210) 3.032 19.253 ( 0.000 1.576 -0.353) 1.615 19.289 ( 0.000 0.099 -1.619) 1.622 19.733 ( 0.000 6.967 2.501) 7.403 20.007 ( 0.000 -3.932 4.134) 5.706 20.283 ( 0.000 6.259 -9.596) 11.457 20.468 ( 0.000 -0.648 -7.400) 7.428 20.823 ( 0.000 8.428 2.900) 8.913 21.030 ( 0.000 -1.758 0.824) 1.941 21.218 ( 0.000 2.524 -8.475) 8.843 21.282 ( 0.000 -0.078 -7.903) 7.903 21.832 ( 0.000 -2.373 4.431) 5.026 21.846 ( 0.000 -3.078 4.623) 5.554 22.371 ( 0.000 0.347 3.367) 3.384 22.496 ( 0.000 -4.774 -0.181) 4.778 ======================= Grid point 100 (38/72) ======================= q-point: ( 0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 6.475 22.330 13.473) 26.872 1.370 ( 10.573 19.515 15.094) 26.841 2.005 ( 3.087 -12.169 12.071) 17.416 2.145 ( 3.512 -13.945 3.261) 14.746 2.289 ( 9.553 13.878 1.734) 16.937 2.351 ( 5.973 12.149 -6.041) 14.824 2.546 ( 5.276 11.627 -3.165) 13.154 2.690 ( 4.178 -3.498 -4.000) 6.759 2.859 ( 2.015 -9.135 -2.995) 9.823 2.961 ( -1.958 1.672 0.877) 2.720 3.019 ( -1.478 -0.371 1.830) 2.382 3.099 ( 1.800 1.379 2.158) 3.130 3.234 ( -0.919 -4.116 5.198) 6.694 3.376 ( -2.895 -0.386 -1.955) 3.515 3.428 ( -0.454 3.775 -0.057) 3.802 3.497 ( -0.914 -1.185 1.392) 2.044 3.613 ( -0.314 -2.019 2.467) 3.203 3.715 ( -1.755 -4.020 -1.067) 4.514 3.794 ( 1.641 -6.171 0.977) 6.460 3.957 ( -5.206 3.061 -2.576) 6.566 4.037 ( -4.031 -3.529 -2.811) 6.051 4.205 ( 1.890 -6.257 -3.384) 7.360 4.405 ( 3.207 1.344 -11.481) 11.996 4.616 ( -0.129 -5.086 -2.178) 5.534 4.725 ( -1.291 3.640 -1.121) 4.021 4.987 ( -1.033 -5.032 -2.638) 5.774 5.159 ( -5.427 7.269 -3.458) 9.709 5.277 ( -2.710 2.955 -3.092) 5.064 5.394 ( 2.848 7.879 0.826) 8.419 5.514 ( 0.085 2.559 1.557) 2.996 5.550 ( -0.490 4.304 3.297) 5.444 5.651 ( 3.164 1.990 0.482) 3.769 5.752 ( 4.439 -3.742 2.324) 6.253 5.837 ( 3.376 -2.353 -2.261) 4.695 5.937 ( 2.956 2.316 -5.966) 7.049 6.028 ( 2.146 -1.442 -1.880) 3.197 6.156 ( 0.915 0.112 2.348) 2.523 6.258 ( 0.068 -0.376 2.819) 2.845 6.388 ( -2.134 -3.951 4.804) 6.575 6.476 ( -4.568 -7.034 3.574) 9.117 7.398 ( -1.711 3.663 1.346) 4.261 7.496 ( 1.165 -0.145 -0.454) 1.258 7.764 ( -1.908 0.768 1.657) 2.641 7.864 ( -1.824 -0.785 -0.720) 2.112 7.938 ( 0.739 1.125 0.663) 1.500 8.032 ( 0.956 -1.080 -2.366) 2.771 8.183 ( -1.167 -0.217 3.675) 3.862 8.345 ( 0.422 -7.441 -0.705) 7.486 8.566 ( -2.881 5.683 3.164) 7.114 8.878 ( -6.653 -5.224 0.313) 8.465 8.925 ( -5.865 0.149 -2.262) 6.288 9.094 ( -4.547 -5.882 -2.179) 7.747 9.549 ( -0.776 2.185 2.571) 3.462 9.656 ( 0.135 -2.643 1.826) 3.215 9.776 ( 3.905 2.774 -2.627) 5.463 9.817 ( 3.030 0.800 -1.977) 3.705 10.094 ( 4.614 1.526 -1.152) 4.995 10.186 ( 1.364 0.224 -1.601) 2.115 10.254 ( 5.257 -0.917 -1.343) 5.503 10.324 ( 4.123 -2.200 -1.952) 5.065 10.998 ( 7.229 7.962 -1.944) 10.928 11.028 ( 5.304 7.811 -0.913) 9.486 11.294 ( 9.725 -4.699 -1.281) 10.877 11.426 ( 5.673 -8.253 -2.760) 10.389 12.317 ( 0.646 -1.344 10.807) 10.909 12.409 ( -1.149 -4.716 10.073) 11.182 12.740 ( 1.294 0.537 -0.004) 1.401 12.778 ( -0.267 -1.680 0.849) 1.901 13.176 ( 1.584 8.131 5.104) 9.730 13.435 ( 3.414 -5.177 0.847) 6.259 13.847 ( -6.487 1.994 -6.955) 9.718 13.951 ( -7.003 -2.129 -9.398) 11.912 14.449 ( -1.067 2.906 7.608) 8.214 14.592 ( -4.880 -2.875 7.544) 9.434 14.844 ( -5.668 6.257 -2.866) 8.916 14.959 ( -6.418 -0.287 -2.152) 6.776 15.178 ( 1.597 1.580 2.058) 3.046 15.266 ( 0.552 -1.572 -0.496) 1.739 15.846 ( -6.735 5.045 -0.735) 8.447 16.033 ( -0.893 -4.123 -6.242) 7.534 16.289 ( 1.248 2.396 0.714) 2.794 16.422 ( -2.253 -1.336 0.225) 2.629 16.688 ( 3.403 -4.298 2.584) 6.061 16.828 ( 3.440 -8.233 -0.675) 8.949 17.291 ( 3.756 2.881 0.154) 4.736 17.347 ( 6.941 1.720 -0.280) 7.156 17.645 ( 2.468 -1.141 1.197) 2.971 17.753 ( 5.296 -5.155 -2.134) 7.693 18.123 ( 1.480 5.889 4.194) 7.380 18.356 ( 2.443 -6.033 -1.169) 6.614 18.625 ( -0.299 5.035 0.135) 5.046 18.778 ( -0.345 -0.142 -2.807) 2.831 19.046 ( -3.905 0.906 1.052) 4.144 19.139 ( -2.463 -0.783 0.289) 2.601 19.198 ( -2.840 1.027 1.241) 3.265 19.313 ( -0.221 -3.676 -1.508) 3.979 19.775 ( 3.577 7.654 2.614) 8.844 20.024 ( 1.803 -2.548 3.066) 4.375 20.288 ( -0.163 4.649 -6.508) 7.999 20.475 ( 0.822 -1.650 -7.593) 7.813 20.821 ( -0.158 7.960 2.916) 8.479 21.017 ( -1.048 -1.067 1.338) 2.007 21.189 ( -3.418 2.690 -6.985) 8.229 21.277 ( -0.352 -1.379 -8.102) 8.226 21.820 ( -2.011 -2.378 5.703) 6.498 21.838 ( 0.343 -2.587 3.229) 4.152 22.336 ( -2.635 3.037 2.935) 4.978 22.502 ( -0.531 -5.505 -1.579) 5.751 ======================= Grid point 101 (39/72) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 13.727 14.105 11.047) 22.571 1.631 ( 15.409 14.776 11.189) 24.104 2.076 ( 4.055 -11.845 7.980) 14.847 2.208 ( 2.750 -12.008 3.286) 12.750 2.397 ( 3.149 2.284 -8.466) 9.317 2.485 ( 4.544 4.116 -4.003) 7.323 2.696 ( 7.560 -0.608 -4.264) 8.701 2.790 ( 3.739 2.512 0.111) 4.506 2.891 ( 0.674 1.679 -0.802) 1.979 2.953 ( 1.569 -2.255 -0.031) 2.747 2.997 ( 0.953 -0.639 1.540) 1.921 3.128 ( 0.711 0.230 0.943) 1.203 3.253 ( 2.156 2.554 4.343) 5.480 3.296 ( -3.199 1.250 -1.214) 3.643 3.411 ( -1.161 4.789 -2.652) 5.596 3.493 ( 0.002 0.603 1.165) 1.312 3.595 ( -1.260 -1.348 2.640) 3.221 3.676 ( -2.490 1.420 0.606) 2.930 3.800 ( -2.086 -3.729 -0.447) 4.297 3.842 ( -4.703 -2.897 -3.528) 6.555 3.968 ( -1.701 2.027 0.189) 2.652 4.268 ( 4.310 -11.285 -0.000) 12.080 4.458 ( 1.589 4.779 -6.424) 8.163 4.591 ( -1.501 0.306 1.232) 1.966 4.734 ( 1.698 -0.696 -2.825) 3.369 4.948 ( -2.007 -0.045 -6.186) 6.503 5.061 ( -4.950 4.362 -2.296) 6.985 5.219 ( -2.285 -1.588 -2.062) 3.463 5.453 ( 2.210 6.817 2.463) 7.578 5.498 ( -1.920 6.290 3.741) 7.567 5.557 ( 1.195 3.978 3.185) 5.234 5.724 ( 3.666 3.078 -1.635) 5.059 5.839 ( 2.947 0.839 0.299) 3.079 5.897 ( 2.124 -2.350 -1.085) 3.349 6.011 ( 5.038 -2.824 -1.545) 5.978 6.076 ( 3.515 -4.828 -1.378) 6.129 6.165 ( -0.282 0.923 2.469) 2.651 6.241 ( -1.375 -0.100 2.972) 3.277 6.335 ( -2.825 -4.600 0.802) 5.458 6.397 ( -3.119 -6.846 0.038) 7.523 7.384 ( 0.449 3.640 2.297) 4.327 7.516 ( 1.143 -1.235 0.037) 1.683 7.724 ( -1.918 2.207 1.051) 3.107 7.832 ( -1.488 -1.015 -0.771) 1.959 7.935 ( -1.278 1.576 1.217) 2.366 8.046 ( -0.052 0.845 -1.557) 1.772 8.155 ( -2.120 -2.591 2.843) 4.392 8.320 ( -2.964 -6.466 -0.360) 7.122 8.507 ( -3.776 5.169 1.756) 6.638 8.729 ( -6.194 0.491 -0.808) 6.266 8.837 ( -3.597 -5.685 0.379) 6.738 8.994 ( -5.244 -7.851 -1.748) 9.601 9.576 ( 2.593 2.409 2.496) 4.331 9.670 ( 1.104 -1.176 1.543) 2.232 9.795 ( -0.586 4.094 -2.433) 4.798 9.863 ( 1.064 2.126 -3.000) 3.828 10.184 ( 3.885 1.618 -0.071) 4.209 10.236 ( 4.394 0.530 -0.210) 4.431 10.371 ( 6.159 -1.589 -1.926) 6.646 10.427 ( 6.064 -4.322 -3.301) 8.145 11.161 ( 7.632 6.977 0.428) 10.349 11.170 ( 9.582 7.728 -0.742) 12.333 11.483 ( 8.815 -3.441 -3.252) 10.006 11.563 ( 7.688 -6.413 -4.062) 10.804 12.340 ( 1.901 -1.499 10.576) 10.849 12.398 ( 0.462 -3.551 8.685) 9.395 12.757 ( -0.755 0.602 -0.123) 0.973 12.777 ( 1.310 0.054 0.421) 1.377 13.218 ( 2.579 10.596 2.772) 11.252 13.487 ( 0.281 -0.970 -0.152) 1.021 13.695 ( -7.829 -2.090 -3.225) 8.722 13.836 ( -2.957 -8.453 -4.827) 10.173 14.425 ( -0.758 3.499 4.183) 5.506 14.533 ( -1.667 -0.914 2.156) 2.874 14.741 ( -5.215 4.852 -0.799) 7.168 14.839 ( -5.614 -0.524 -2.197) 6.051 15.151 ( -3.552 2.445 4.439) 6.188 15.259 ( -1.403 -2.805 2.406) 3.953 15.687 ( -9.084 7.052 -2.102) 11.690 15.943 ( -8.424 -6.150 -9.074) 13.825 16.346 ( 3.967 1.932 1.245) 4.585 16.423 ( 2.861 -1.168 1.408) 3.396 16.729 ( 1.125 0.189 3.518) 3.698 16.915 ( 5.126 -8.729 -0.880) 10.161 17.388 ( 6.236 2.493 -0.363) 6.726 17.491 ( 6.927 -0.564 -1.128) 7.041 17.707 ( 3.489 0.733 -0.204) 3.571 17.837 ( 2.765 -2.163 -1.385) 3.774 18.162 ( 2.806 7.409 2.760) 8.389 18.404 ( 1.853 -4.632 -2.655) 5.652 18.615 ( -0.470 -0.211 1.795) 1.868 18.758 ( -1.823 -3.898 -1.666) 4.615 18.989 ( -1.473 1.876 1.825) 3.003 19.099 ( -1.653 2.584 -0.951) 3.211 19.171 ( 0.097 -3.526 1.529) 3.844 19.280 ( -2.547 -5.857 -1.379) 6.534 19.829 ( 1.530 8.812 2.481) 9.281 20.075 ( 2.916 -1.124 -0.149) 3.129 20.268 ( -1.463 3.473 -1.443) 4.035 20.495 ( 0.923 -4.011 -5.929) 7.217 20.820 ( 0.179 6.475 2.419) 6.914 20.996 ( -1.248 0.024 1.231) 1.753 21.107 ( -4.281 2.905 -4.226) 6.680 21.251 ( -2.840 -4.086 -7.078) 8.652 21.787 ( -0.750 0.228 5.401) 5.458 21.855 ( 1.386 -2.877 2.290) 3.930 22.284 ( -2.863 4.554 1.514) 5.589 22.459 ( -3.753 -4.710 -2.741) 6.617 ======================= Grid point 102 (40/72) ======================= q-point: ( 0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 17.082 5.688 6.484) 19.136 1.922 ( 13.975 9.516 7.634) 18.551 2.149 ( 2.601 -7.879 3.357) 8.951 2.252 ( 2.650 -5.038 2.216) 6.108 2.453 ( 3.530 -1.260 0.148) 3.751 2.528 ( 0.595 -2.976 -4.888) 5.753 2.750 ( -1.472 -0.032 -3.844) 4.117 2.772 ( -2.953 -0.020 -3.927) 4.913 2.939 ( -0.408 -0.395 -3.811) 3.853 2.963 ( 2.586 0.856 -1.727) 3.226 3.008 ( -2.044 0.305 0.270) 2.084 3.127 ( -1.611 -0.795 0.801) 1.967 3.191 ( -2.781 -2.276 0.464) 3.623 3.265 ( -5.625 -1.721 -1.910) 6.184 3.436 ( -2.828 5.401 -3.088) 6.834 3.475 ( -0.367 4.827 3.644) 6.059 3.601 ( 2.329 3.796 -0.085) 4.455 3.657 ( 1.963 -0.261 3.032) 3.622 3.741 ( -0.101 -2.052 0.169) 2.062 3.819 ( 0.259 -3.402 -1.407) 3.691 3.998 ( 5.979 5.864 2.073) 8.628 4.351 ( 3.753 -9.276 3.463) 10.589 4.469 ( 0.763 5.334 1.365) 5.559 4.598 ( 1.807 1.703 -2.978) 3.877 4.743 ( -0.839 -0.478 0.884) 1.309 4.923 ( -3.107 6.171 -1.614) 7.095 4.998 ( 0.828 -2.173 -6.601) 6.999 5.177 ( -2.708 -4.837 -2.524) 6.091 5.442 ( -2.697 5.344 4.544) 7.516 5.485 ( 1.121 3.901 2.694) 4.872 5.574 ( -0.404 3.846 1.023) 4.001 5.752 ( -1.385 1.846 -2.573) 3.457 5.868 ( 0.928 5.824 0.355) 5.908 5.910 ( 0.335 -0.325 1.185) 1.274 6.091 ( 2.556 -4.827 0.225) 5.467 6.157 ( 2.508 -2.747 -1.251) 3.925 6.181 ( 2.783 -2.212 0.650) 3.613 6.235 ( 1.845 -0.879 1.737) 2.682 6.301 ( -0.773 -5.599 -0.653) 5.690 6.355 ( -0.922 -4.026 -1.518) 4.400 7.415 ( 2.542 3.838 2.730) 5.352 7.551 ( 2.536 -0.289 0.533) 2.607 7.694 ( -1.160 2.279 0.952) 2.729 7.808 ( -0.967 -0.797 -1.026) 1.620 7.889 ( -3.275 0.708 2.483) 4.171 8.009 ( -3.960 3.002 -0.061) 4.970 8.092 ( -4.037 -6.377 0.622) 7.573 8.229 ( -7.027 -5.366 -1.554) 8.978 8.445 ( -0.761 5.958 2.761) 6.611 8.660 ( -1.926 0.362 -0.904) 2.159 8.795 ( -0.826 -7.183 -0.091) 7.231 8.908 ( -3.463 -7.388 -1.722) 8.340 9.629 ( 2.678 3.015 1.391) 4.266 9.688 ( 0.854 2.012 1.281) 2.534 9.781 ( -1.071 4.589 -1.421) 4.921 9.861 ( -0.816 2.592 -2.425) 3.642 10.254 ( 3.565 0.442 1.495) 3.890 10.317 ( 3.521 -1.699 0.372) 3.927 10.490 ( 5.933 -1.482 -2.598) 6.644 10.534 ( 4.820 -3.779 -3.924) 7.274 11.294 ( 5.806 6.823 1.287) 9.051 11.327 ( 6.190 6.789 0.478) 9.200 11.620 ( 5.388 -3.060 -3.003) 6.885 11.686 ( 4.522 -4.949 -4.557) 8.106 12.389 ( 3.109 -0.602 9.068) 9.605 12.436 ( 3.313 -2.561 6.082) 7.384 12.723 ( -2.234 2.718 -0.094) 3.520 12.815 ( 1.692 -1.418 -0.627) 2.295 13.263 ( 1.680 8.902 0.191) 9.062 13.403 ( -5.727 7.403 -3.203) 9.892 13.651 ( 1.971 -8.333 3.017) 9.079 13.821 ( 0.037 -11.640 -1.073) 11.690 14.428 ( 0.845 2.853 1.517) 3.340 14.503 ( -1.568 0.289 0.324) 1.627 14.658 ( -3.023 4.041 -0.034) 5.047 14.748 ( -4.017 -0.522 -1.644) 4.371 15.080 ( -2.941 3.335 4.533) 6.350 15.216 ( -2.768 -3.341 3.130) 5.349 15.516 ( -8.229 6.280 -2.979) 10.772 15.749 ( -10.829 -5.286 -8.687) 14.855 16.432 ( 4.740 0.854 1.966) 5.202 16.498 ( 4.135 -2.395 2.917) 5.598 16.757 ( 2.194 3.904 2.062) 4.930 16.989 ( 1.834 -7.711 -1.880) 8.146 17.518 ( 6.770 1.197 -1.570) 7.052 17.598 ( 4.270 0.119 -1.741) 4.613 17.756 ( 1.249 0.528 -0.650) 1.504 17.873 ( 1.869 0.049 0.808) 2.037 18.232 ( 4.197 7.911 1.817) 9.138 18.410 ( -1.046 0.654 -2.342) 2.647 18.619 ( 0.858 -7.643 2.872) 8.210 18.728 ( -0.664 -7.623 -1.035) 7.721 18.981 ( 0.271 2.680 1.812) 3.247 19.078 ( -0.604 2.438 -0.430) 2.548 19.181 ( 0.273 -2.409 -0.005) 2.424 19.228 ( -2.911 -5.587 -1.473) 6.470 19.848 ( 1.151 9.842 2.033) 10.115 20.096 ( -1.302 5.038 -4.149) 6.655 20.258 ( 0.883 -2.457 3.195) 4.126 20.499 ( -0.725 -6.527 -3.453) 7.420 20.833 ( 1.186 4.447 1.166) 4.748 20.966 ( -1.761 1.556 -0.863) 2.504 21.045 ( -2.098 1.349 -1.343) 2.833 21.170 ( -5.067 -5.360 -4.508) 8.644 21.801 ( 2.116 2.438 4.248) 5.335 21.887 ( 1.816 -1.947 1.732) 3.176 22.223 ( -3.401 3.837 0.432) 5.145 22.369 ( -5.382 -3.600 -2.790) 7.051 ======================= Grid point 103 (41/72) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 7.722 3.625 1.594) 8.678 2.127 ( 2.787 2.062 3.506) 4.931 2.179 ( 8.644 2.027 3.161) 9.425 2.340 ( 5.761 -4.973 2.012) 7.872 2.518 ( 3.409 -1.089 2.147) 4.173 2.579 ( 4.320 -3.596 -3.068) 6.404 2.661 ( -4.386 1.503 -5.617) 7.283 2.736 ( -2.939 -1.533 -3.309) 4.684 2.879 ( -4.201 2.552 -3.029) 5.774 2.922 ( -4.082 1.801 1.007) 4.574 3.001 ( -3.335 -0.783 -5.586) 6.553 3.056 ( -4.125 -0.994 3.446) 5.466 3.116 ( -3.584 -0.543 -0.485) 3.657 3.220 ( 0.799 -0.466 1.993) 2.197 3.378 ( -2.312 4.321 -1.750) 5.204 3.452 ( 0.036 2.219 0.106) 2.222 3.573 ( -2.008 -0.278 -1.485) 2.513 3.679 ( -1.822 3.739 0.518) 4.192 3.793 ( 2.821 -5.712 -0.185) 6.374 3.830 ( 0.317 -4.291 -0.753) 4.368 4.218 ( 14.005 4.048 3.245) 14.935 4.419 ( 3.971 -3.591 5.115) 7.404 4.489 ( 0.481 3.271 3.010) 4.472 4.626 ( -0.320 -1.204 -1.875) 2.251 4.726 ( 0.112 5.475 -0.405) 5.491 4.848 ( -3.809 4.491 2.672) 6.466 5.032 ( 1.041 -4.506 -3.325) 5.696 5.116 ( -3.253 -5.987 -3.354) 7.595 5.409 ( -0.353 5.907 2.950) 6.612 5.495 ( -2.084 5.204 1.589) 5.827 5.556 ( 1.318 -0.594 0.047) 1.447 5.698 ( -3.518 -2.797 -1.907) 4.882 5.887 ( 1.125 6.257 0.464) 6.374 5.918 ( 0.060 6.215 0.117) 6.217 6.131 ( 2.151 -2.896 -0.058) 3.608 6.185 ( 0.221 -1.259 -1.569) 2.024 6.204 ( 0.968 -0.311 -0.576) 1.168 6.254 ( -1.559 -2.874 -1.684) 3.678 6.334 ( 3.723 -5.828 0.966) 6.982 6.369 ( 1.551 -4.836 0.648) 5.120 7.474 ( 3.491 4.717 2.587) 6.413 7.586 ( -0.341 4.987 0.108) 5.000 7.696 ( 2.270 -1.538 1.835) 3.299 7.792 ( -1.103 1.584 0.175) 1.938 7.824 ( -2.509 -2.738 2.554) 4.507 7.920 ( -4.417 0.094 0.488) 4.445 8.018 ( -3.281 -5.925 -0.625) 6.802 8.079 ( -7.244 -4.388 -1.095) 8.539 8.482 ( 3.732 5.307 1.684) 6.702 8.623 ( -2.391 2.139 -0.919) 3.337 8.797 ( 0.820 -7.814 -0.516) 7.874 8.858 ( -2.085 -6.957 -1.552) 7.427 9.670 ( 1.540 4.264 0.753) 4.595 9.714 ( 1.589 4.718 0.170) 4.982 9.753 ( -1.032 4.089 -0.039) 4.217 9.837 ( -1.863 2.211 -1.863) 3.440 10.318 ( 2.987 -1.198 1.980) 3.778 10.363 ( 1.156 -2.698 1.333) 3.224 10.585 ( 3.638 -1.631 -3.317) 5.186 10.606 ( 2.485 -2.817 -4.111) 5.569 11.378 ( 3.007 6.475 1.767) 7.355 11.403 ( 1.954 6.209 1.501) 6.680 11.694 ( 2.622 -3.531 -2.856) 5.244 11.734 ( 0.800 -4.516 -3.640) 5.855 12.455 ( 3.545 0.601 6.275) 7.232 12.504 ( 2.862 -1.470 4.369) 5.426 12.688 ( -0.656 2.456 -0.313) 2.561 12.805 ( -3.104 -3.188 -1.550) 4.712 13.285 ( 2.089 9.243 0.244) 9.479 13.365 ( 0.186 8.912 -1.915) 9.118 13.703 ( 2.924 -10.578 2.841) 11.337 13.806 ( -1.753 -11.934 0.294) 12.066 14.447 ( 1.164 2.451 1.412) 3.059 14.485 ( -0.143 1.432 0.997) 1.750 14.619 ( -1.388 3.641 -0.554) 3.935 14.675 ( -3.668 0.501 -0.853) 3.799 15.060 ( 0.940 3.054 2.788) 4.241 15.163 ( -2.670 -0.744 2.112) 3.485 15.395 ( -3.458 2.128 -2.748) 4.903 15.552 ( -9.229 -4.417 -6.708) 12.234 16.515 ( 3.667 0.876 2.858) 4.731 16.560 ( 1.924 -0.791 4.288) 4.766 16.818 ( 4.069 2.016 -0.962) 4.642 16.979 ( -2.608 -5.571 -2.593) 6.676 17.614 ( 2.844 0.624 -1.991) 3.528 17.661 ( 1.512 5.433 -3.784) 6.792 17.784 ( 3.184 -5.011 2.498) 6.441 17.901 ( 0.168 -2.541 0.087) 2.548 18.307 ( 3.329 7.878 1.268) 8.646 18.384 ( -1.295 5.526 -0.892) 5.746 18.649 ( 2.392 -9.778 2.840) 10.459 18.728 ( -0.160 -9.329 0.510) 9.345 19.000 ( 1.875 2.168 0.923) 3.011 19.075 ( 0.318 2.257 -0.876) 2.442 19.151 ( -3.539 -0.570 -0.970) 3.713 19.178 ( -2.087 -3.329 -1.130) 4.088 19.888 ( 3.054 10.294 1.375) 10.825 20.039 ( -3.934 10.929 -2.078) 11.800 20.300 ( 3.313 -8.796 1.289) 9.488 20.461 ( -3.323 -8.979 -2.260) 9.837 20.865 ( 2.047 2.899 0.288) 3.561 20.936 ( -1.373 2.094 -1.734) 3.046 21.018 ( -0.753 -0.154 -0.308) 0.828 21.077 ( -4.127 -4.394 -2.076) 6.376 21.857 ( 3.312 3.208 3.238) 5.634 21.918 ( 1.090 0.320 1.955) 2.261 22.167 ( -1.805 1.568 -0.507) 2.444 22.263 ( -5.397 -2.805 -2.307) 6.506 ======================= Grid point 104 (42/72) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -0.722 4.210 1.964) 4.701 2.123 ( 0.722 4.210 1.964) 4.701 2.383 ( -6.029 -2.464 -0.178) 6.516 2.383 ( 6.029 -2.464 -0.178) 6.516 2.567 ( -3.799 0.590 -0.306) 3.857 2.567 ( 3.799 0.590 -0.306) 3.857 2.675 ( -4.968 -2.829 -2.194) 6.123 2.675 ( 4.968 -2.829 -2.194) 6.123 2.855 ( -2.504 2.231 -2.004) 3.907 2.855 ( 2.504 2.231 -2.004) 3.907 2.959 ( -3.342 -2.020 -0.883) 4.003 2.959 ( 3.342 -2.020 -0.883) 4.003 3.162 ( -5.301 4.829 2.668) 7.651 3.162 ( 5.301 4.829 2.668) 7.651 3.411 ( -4.068 -1.077 -1.110) 4.353 3.411 ( 4.068 -1.077 -1.110) 4.353 3.607 ( -4.592 3.429 -0.221) 5.735 3.607 ( 4.592 3.429 -0.221) 5.735 3.826 ( -0.833 -5.938 -1.684) 6.228 3.826 ( 0.833 -5.938 -1.684) 6.228 4.414 ( -5.715 -0.097 2.443) 6.216 4.414 ( 5.715 -0.097 2.443) 6.216 4.559 ( -6.108 -0.994 2.908) 6.837 4.559 ( 6.108 -0.994 2.908) 6.837 4.770 ( -3.959 6.481 0.979) 7.657 4.770 ( 3.959 6.481 0.979) 7.657 5.059 ( -2.427 -6.006 -1.853) 6.738 5.059 ( 2.427 -6.006 -1.853) 6.738 5.434 ( -2.779 6.180 1.867) 7.028 5.434 ( 2.779 6.180 1.867) 7.028 5.622 ( -4.222 -2.881 -1.508) 5.329 5.622 ( 4.222 -2.881 -1.508) 5.329 5.908 ( -0.937 6.868 -0.160) 6.933 5.908 ( 0.937 6.868 -0.160) 6.933 6.171 ( -1.670 -0.944 -0.466) 1.974 6.171 ( 1.670 -0.944 -0.466) 1.974 6.224 ( -1.252 -1.738 -1.992) 2.925 6.224 ( 1.252 -1.738 -1.992) 2.925 6.380 ( -0.828 -5.503 1.356) 5.727 6.380 ( 0.828 -5.503 1.356) 5.727 7.542 ( -3.324 5.968 1.539) 7.003 7.542 ( 3.324 5.968 1.539) 7.003 7.751 ( -2.433 0.209 1.938) 3.117 7.751 ( 2.433 0.209 1.938) 3.117 7.842 ( -3.648 -3.691 0.801) 5.251 7.842 ( 3.648 -3.691 0.801) 5.251 7.992 ( -1.303 -4.321 -0.915) 4.605 7.992 ( 1.303 -4.321 -0.915) 4.605 8.561 ( -3.973 4.107 0.122) 5.715 8.561 ( 3.973 4.107 0.122) 5.715 8.822 ( -1.651 -7.320 -1.121) 7.587 8.822 ( 1.651 -7.320 -1.121) 7.587 9.700 ( -1.728 6.060 0.425) 6.316 9.700 ( 1.728 6.060 0.425) 6.316 9.788 ( -3.003 2.020 -0.875) 3.723 9.788 ( 3.003 2.020 -0.875) 3.723 10.361 ( -1.284 -2.337 1.905) 3.277 10.361 ( 1.284 -2.337 1.905) 3.277 10.625 ( -0.544 -2.076 -3.899) 4.450 10.625 ( 0.544 -2.076 -3.899) 4.450 11.413 ( -0.722 6.142 1.895) 6.468 11.413 ( 0.722 6.142 1.895) 6.468 11.729 ( -1.090 -4.149 -2.992) 5.230 11.729 ( 1.090 -4.149 -2.992) 5.230 12.512 ( -1.916 0.631 4.453) 4.889 12.512 ( 1.916 0.631 4.453) 4.889 12.724 ( -4.115 -1.094 -1.032) 4.381 12.724 ( 4.115 -1.094 -1.032) 4.381 13.343 ( -2.764 9.265 -0.186) 9.670 13.343 ( 2.764 9.265 -0.186) 9.670 13.759 ( -2.890 -12.054 1.015) 12.437 13.759 ( 2.890 -12.054 1.015) 12.437 14.475 ( -1.387 2.329 1.904) 3.312 14.475 ( 1.387 2.329 1.904) 3.312 14.618 ( -1.766 2.145 -0.783) 2.887 14.618 ( 1.766 2.145 -0.783) 2.887 15.105 ( -3.230 2.683 1.660) 4.515 15.105 ( 3.230 2.683 1.660) 4.515 15.411 ( -4.846 -2.877 -4.163) 7.007 15.411 ( 4.846 -2.877 -4.163) 7.007 16.565 ( -1.352 0.964 3.912) 4.250 16.565 ( 1.352 0.964 3.912) 4.250 16.905 ( -4.639 -2.414 -2.490) 5.792 16.905 ( 4.639 -2.414 -2.490) 5.792 17.652 ( -1.502 3.536 -2.088) 4.373 17.652 ( 1.502 3.536 -2.088) 4.373 17.865 ( -3.774 -5.406 0.348) 6.602 17.865 ( 3.774 -5.406 0.348) 6.602 18.357 ( -1.850 7.386 0.657) 7.642 18.357 ( 1.850 7.386 0.657) 7.642 18.702 ( -2.525 -9.357 2.091) 9.915 18.702 ( 2.525 -9.357 2.091) 9.915 19.052 ( -3.226 2.181 -0.948) 4.008 19.052 ( 3.226 2.181 -0.948) 4.008 19.131 ( -2.289 -1.177 -0.719) 2.672 19.131 ( 2.289 -1.177 -0.719) 2.672 19.960 ( -4.143 11.144 0.249) 11.892 19.960 ( 4.143 11.144 0.249) 11.892 20.380 ( -4.683 -10.122 -1.185) 11.216 20.380 ( 4.683 -10.122 -1.185) 11.216 20.905 ( -1.965 2.276 -0.538) 3.055 20.905 ( 1.965 2.276 -0.538) 3.055 21.023 ( -1.460 -2.182 -0.916) 2.781 21.023 ( 1.460 -2.182 -0.916) 2.781 21.912 ( -1.921 2.789 2.625) 4.285 21.912 ( 1.921 2.789 2.625) 4.285 22.177 ( -2.939 -1.465 -1.592) 3.649 22.177 ( 2.939 -1.465 -1.592) 3.649 ======================= Grid point 110 (43/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 -10.620 12.465) 16.375 1.619 ( 0.000 10.620 12.465) 16.375 1.739 ( 0.000 -13.334 10.658) 17.070 1.739 ( 0.000 13.334 10.658) 17.070 2.495 ( 0.000 -10.207 -7.889) 12.901 2.495 ( 0.000 10.207 -7.889) 12.901 2.603 ( 0.000 -12.765 -7.704) 14.910 2.603 ( 0.000 12.765 -7.704) 14.910 2.864 ( 0.000 -18.011 3.443) 18.337 2.864 ( 0.000 18.011 3.443) 18.337 3.080 ( 0.000 -2.598 7.821) 8.241 3.080 ( 0.000 2.598 7.821) 8.241 3.226 ( 0.000 -10.604 4.634) 11.572 3.226 ( 0.000 10.604 4.634) 11.572 3.464 ( 0.000 -2.746 -0.539) 2.798 3.464 ( 0.000 2.746 -0.539) 2.798 3.600 ( 0.000 -5.342 -4.073) 6.718 3.600 ( 0.000 5.342 -4.073) 6.718 3.879 ( 0.000 -10.031 1.494) 10.141 3.879 ( 0.000 10.031 1.494) 10.141 4.132 ( 0.000 -5.512 0.310) 5.520 4.132 ( 0.000 5.512 0.310) 5.520 4.474 ( 0.000 -7.964 -12.761) 15.042 4.474 ( 0.000 7.964 -12.761) 15.042 4.857 ( 0.000 -7.796 -0.766) 7.834 4.857 ( 0.000 7.796 -0.766) 7.834 5.337 ( 0.000 -2.961 -5.557) 6.297 5.337 ( 0.000 2.961 -5.557) 6.297 5.467 ( 0.000 -5.115 0.981) 5.208 5.467 ( 0.000 5.115 0.981) 5.208 5.592 ( 0.000 -4.531 4.929) 6.695 5.592 ( 0.000 4.531 4.929) 6.695 5.742 ( 0.000 -4.985 -1.411) 5.181 5.742 ( 0.000 4.985 -1.411) 5.181 5.967 ( 0.000 -2.859 -5.686) 6.364 5.967 ( 0.000 2.859 -5.686) 6.364 6.190 ( 0.000 -4.232 5.603) 7.022 6.190 ( 0.000 4.232 5.603) 7.022 6.427 ( 0.000 -4.092 4.108) 5.798 6.427 ( 0.000 4.092 4.108) 5.798 7.472 ( 0.000 -1.301 0.747) 1.501 7.472 ( 0.000 1.301 0.747) 1.501 7.836 ( 0.000 -4.468 -0.015) 4.468 7.836 ( 0.000 4.468 -0.015) 4.468 7.967 ( 0.000 -3.483 -1.090) 3.649 7.967 ( 0.000 3.483 -1.090) 3.649 8.231 ( 0.000 -3.866 1.254) 4.064 8.231 ( 0.000 3.866 1.254) 4.064 8.743 ( 0.000 -9.664 2.712) 10.038 8.743 ( 0.000 9.664 2.712) 10.038 9.079 ( 0.000 -3.084 -5.003) 5.877 9.079 ( 0.000 3.084 -5.003) 5.877 9.633 ( 0.000 -0.698 1.732) 1.868 9.633 ( 0.000 0.698 1.732) 1.868 9.727 ( 0.000 -1.753 -0.065) 1.754 9.727 ( 0.000 1.753 -0.065) 1.754 10.094 ( 0.000 -3.075 -1.356) 3.360 10.094 ( 0.000 3.075 -1.356) 3.360 10.260 ( 0.000 -1.285 -1.463) 1.947 10.260 ( 0.000 1.285 -1.463) 1.947 11.040 ( 0.000 -4.793 -0.527) 4.822 11.040 ( 0.000 4.793 -0.527) 4.822 11.195 ( 0.000 -8.767 -2.160) 9.029 11.195 ( 0.000 8.767 -2.160) 9.029 12.340 ( 0.000 -3.476 9.410) 10.032 12.340 ( 0.000 3.476 9.410) 10.032 12.746 ( 0.000 -1.516 0.719) 1.678 12.746 ( 0.000 1.516 0.719) 1.678 13.282 ( 0.000 -6.847 2.334) 7.234 13.282 ( 0.000 6.847 2.334) 7.234 13.985 ( 0.000 -3.544 -10.086) 10.691 13.985 ( 0.000 3.544 -10.086) 10.691 14.546 ( 0.000 -5.967 10.849) 12.382 14.546 ( 0.000 5.967 10.849) 12.382 15.009 ( 0.000 -2.927 -1.712) 3.391 15.009 ( 0.000 2.927 -1.712) 3.391 15.201 ( 0.000 -3.863 -1.915) 4.312 15.201 ( 0.000 3.863 -1.915) 4.312 15.980 ( 0.000 -3.320 -3.368) 4.729 15.980 ( 0.000 3.320 -3.368) 4.729 16.356 ( 0.000 -4.954 2.724) 5.654 16.356 ( 0.000 4.954 2.724) 5.654 16.664 ( 0.000 -5.210 -1.567) 5.441 16.664 ( 0.000 5.210 -1.567) 5.441 17.300 ( 0.000 -0.587 0.055) 0.589 17.300 ( 0.000 0.587 0.055) 0.589 17.616 ( 0.000 -1.728 0.048) 1.729 17.616 ( 0.000 1.728 0.048) 1.729 18.213 ( 0.000 -6.315 2.986) 6.985 18.213 ( 0.000 6.315 2.986) 6.985 18.736 ( 0.000 -4.912 -3.188) 5.856 18.736 ( 0.000 4.912 -3.188) 5.856 19.129 ( 0.000 -2.425 1.950) 3.112 19.129 ( 0.000 2.425 1.950) 3.112 19.279 ( 0.000 -1.049 -0.505) 1.164 19.279 ( 0.000 1.049 -0.505) 1.164 19.881 ( 0.000 -8.222 4.952) 9.598 19.881 ( 0.000 8.222 4.952) 9.598 20.401 ( 0.000 -5.723 -7.019) 9.056 20.401 ( 0.000 5.723 -7.019) 9.056 20.960 ( 0.000 -5.817 1.787) 6.085 20.960 ( 0.000 5.817 1.787) 6.085 21.264 ( 0.000 -1.902 -8.847) 9.049 21.264 ( 0.000 1.902 -8.847) 9.049 21.813 ( 0.000 -0.525 4.448) 4.479 21.813 ( 0.000 0.525 4.448) 4.479 22.414 ( 0.000 -3.743 0.760) 3.820 22.414 ( 0.000 3.743 0.760) 3.820 ======================= Grid point 112 (44/72) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 5.530 -12.442 12.776) 18.671 1.681 ( 5.530 12.442 12.776) 18.671 1.782 ( 4.617 -15.756 9.338) 18.888 1.782 ( 4.617 15.756 9.338) 18.888 2.489 ( -0.314 -8.659 -8.572) 12.188 2.489 ( -0.314 8.659 -8.572) 12.188 2.641 ( 3.804 -10.224 -8.132) 13.606 2.641 ( 3.804 10.224 -8.132) 13.606 2.907 ( 3.054 -9.651 1.661) 10.258 2.907 ( 3.054 9.651 1.661) 10.258 3.062 ( -1.198 -4.898 7.756) 9.251 3.062 ( -1.198 4.898 7.756) 9.251 3.274 ( 4.191 -10.194 4.816) 12.027 3.274 ( 4.191 10.194 4.816) 12.027 3.461 ( 0.131 -2.064 1.096) 2.340 3.461 ( 0.131 2.064 1.096) 2.340 3.592 ( -0.511 -5.886 -4.841) 7.638 3.592 ( -0.511 5.886 -4.841) 7.638 3.873 ( -1.456 -8.282 0.617) 8.432 3.873 ( -1.456 8.282 0.617) 8.432 4.081 ( -3.605 -5.660 0.707) 6.747 4.081 ( -3.605 5.660 0.707) 6.747 4.504 ( 2.358 -6.549 -10.009) 12.191 4.504 ( 2.358 6.549 -10.009) 12.191 4.851 ( -0.558 -8.417 -1.556) 8.578 4.851 ( -0.558 8.417 -1.556) 8.578 5.266 ( -5.539 -3.644 -4.448) 7.984 5.266 ( -5.539 3.644 -4.448) 7.984 5.522 ( 2.691 -3.093 1.639) 4.415 5.522 ( 2.691 3.093 1.639) 4.415 5.621 ( 3.363 -5.673 3.733) 7.578 5.621 ( 3.363 5.673 3.733) 7.578 5.758 ( 2.716 -5.648 -0.668) 6.303 5.758 ( 2.716 5.648 -0.668) 6.303 5.987 ( 1.128 -2.800 -5.571) 6.336 5.987 ( 1.128 2.800 -5.571) 6.336 6.206 ( 1.332 -4.488 4.933) 6.801 6.206 ( 1.332 4.488 4.933) 6.801 6.380 ( -4.333 -3.243 3.158) 6.266 6.380 ( -4.333 3.243 3.158) 6.266 7.463 ( -0.680 -3.063 1.249) 3.378 7.463 ( -0.680 3.063 1.249) 3.378 7.819 ( -1.536 -3.954 -0.687) 4.297 7.819 ( -1.536 3.954 -0.687) 4.297 7.981 ( 1.058 -3.271 -0.446) 3.467 7.981 ( 1.058 3.271 -0.446) 3.467 8.227 ( -0.524 -4.697 1.100) 4.852 8.227 ( -0.524 4.697 1.100) 4.852 8.713 ( -3.173 -9.270 2.573) 10.130 8.713 ( -3.173 9.270 2.573) 10.130 8.994 ( -7.169 -4.736 -3.508) 9.281 8.994 ( -7.169 4.736 -3.508) 9.281 9.600 ( -0.306 -3.095 2.692) 4.113 9.600 ( -0.306 3.095 2.692) 4.113 9.815 ( 4.545 -1.162 -2.433) 5.284 9.815 ( 4.545 1.162 -2.433) 5.284 10.142 ( 4.383 -3.320 -2.051) 5.868 10.142 ( 4.383 3.320 -2.051) 5.868 10.279 ( 2.490 -2.537 -0.587) 3.603 10.279 ( 2.490 2.537 -0.587) 3.603 11.106 ( 6.313 -2.555 -0.245) 6.815 11.106 ( 6.313 2.555 -0.245) 6.815 11.280 ( 8.111 -5.735 -2.953) 10.363 11.280 ( 8.111 5.735 -2.953) 10.363 12.336 ( -0.153 -2.913 9.486) 9.924 12.336 ( -0.153 2.913 9.486) 9.924 12.754 ( 0.703 -1.000 0.401) 1.286 12.754 ( 0.703 1.000 0.401) 1.286 13.321 ( 3.713 -7.166 2.458) 8.437 13.321 ( 3.713 7.166 2.458) 8.437 13.897 ( -8.517 -3.180 -8.220) 12.257 13.897 ( -8.517 3.180 -8.220) 12.257 14.521 ( -1.981 -4.325 8.165) 9.450 14.521 ( -1.982 4.325 8.165) 9.450 14.929 ( -6.172 -2.999 -2.777) 7.403 14.929 ( -6.172 2.999 -2.777) 7.403 15.224 ( 0.651 -2.737 1.174) 3.048 15.224 ( 0.651 2.737 1.174) 3.048 15.943 ( -4.095 -5.259 -4.146) 7.850 15.943 ( -4.095 5.259 -4.146) 7.850 16.360 ( 0.536 -4.562 2.190) 5.089 16.360 ( 0.536 4.562 2.190) 5.089 16.699 ( 3.390 -4.835 -0.905) 5.974 16.699 ( 3.390 4.835 -0.905) 5.974 17.342 ( 4.248 -2.059 0.542) 4.752 17.342 ( 4.248 2.059 0.542) 4.752 17.670 ( 4.862 -3.449 -1.173) 6.076 17.670 ( 4.862 3.449 -1.173) 6.076 18.237 ( 2.351 -6.351 2.451) 7.202 18.237 ( 2.351 6.351 2.451) 7.202 18.725 ( -1.576 -4.863 -2.476) 5.680 18.725 ( -1.576 4.863 -2.476) 5.680 19.089 ( -2.835 -3.185 1.858) 4.651 19.089 ( -2.835 3.185 1.858) 4.651 19.250 ( -2.820 -3.275 -0.510) 4.352 19.250 ( -2.820 3.275 -0.510) 4.352 19.920 ( 3.381 -7.400 4.419) 9.258 19.920 ( 3.381 7.400 4.419) 9.258 20.396 ( -0.521 -5.957 -6.054) 8.509 20.396 ( -0.521 5.957 -6.054) 8.509 20.954 ( -0.493 -5.679 1.661) 5.938 20.954 ( -0.493 5.679 1.661) 5.938 21.240 ( -2.469 -2.535 -7.761) 8.530 21.240 ( -2.469 2.535 -7.761) 8.530 21.805 ( -0.479 -0.735 4.237) 4.327 21.805 ( -0.479 0.735 4.237) 4.327 22.407 ( -0.919 -4.556 0.055) 4.648 22.407 ( -0.919 4.556 0.055) 4.648 ======================= Grid point 114 (45/72) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 6.394 -15.561 10.932) 20.064 1.794 ( 6.394 15.561 10.932) 20.064 1.927 ( 9.928 -14.832 7.222) 19.254 1.927 ( 9.928 14.832 7.222) 19.254 2.484 ( -0.453 -5.319 -7.877) 9.516 2.484 ( -0.453 5.319 -7.877) 9.516 2.729 ( 4.460 -6.105 -6.789) 10.162 2.729 ( 4.460 6.105 -6.789) 10.162 2.934 ( -0.200 -0.822 -0.805) 1.167 2.934 ( -0.200 0.822 -0.805) 1.167 3.060 ( 1.069 -5.949 3.790) 7.134 3.060 ( 1.069 5.949 3.790) 7.134 3.305 ( -2.679 -2.423 2.407) 4.341 3.305 ( -2.679 2.423 2.407) 4.341 3.507 ( 4.050 -4.622 3.144) 6.903 3.507 ( 4.050 4.622 3.144) 6.903 3.598 ( 1.553 -7.188 -3.649) 8.209 3.598 ( 1.553 7.188 -3.649) 8.209 3.803 ( -4.806 -2.570 -0.570) 5.480 3.803 ( -4.806 2.570 -0.570) 5.480 4.059 ( 1.877 -8.735 2.557) 9.293 4.059 ( 1.877 8.735 2.557) 9.293 4.543 ( 1.417 -4.337 -3.211) 5.579 4.543 ( 1.417 4.337 -3.211) 5.579 4.844 ( 0.127 -8.817 -4.589) 9.940 4.844 ( 0.127 8.817 -4.589) 9.940 5.159 ( -5.224 -4.719 -2.805) 7.578 5.159 ( -5.224 4.719 -2.805) 7.578 5.534 ( -0.811 -2.245 4.124) 4.765 5.534 ( -0.811 2.245 4.124) 4.765 5.684 ( 1.847 -8.353 1.211) 8.640 5.684 ( 1.847 8.353 1.211) 8.640 5.868 ( 7.729 -4.580 -1.012) 9.041 5.868 ( 7.729 4.580 -1.012) 9.041 5.996 ( 0.157 -2.473 -2.743) 3.696 5.996 ( 0.157 2.473 -2.743) 3.696 6.217 ( -0.707 -4.754 2.801) 5.563 6.217 ( -0.707 4.754 2.801) 5.563 6.300 ( -2.824 -3.807 0.860) 4.818 6.300 ( -2.824 3.807 0.860) 4.818 7.460 ( 0.742 -4.098 2.128) 4.677 7.460 ( 0.742 4.098 2.128) 4.677 7.787 ( -1.596 -3.690 -1.255) 4.211 7.787 ( -1.596 3.690 -1.255) 4.211 7.988 ( -0.648 -4.210 0.538) 4.294 7.988 ( -0.648 4.210 0.538) 4.294 8.204 ( -2.298 -5.607 0.249) 6.065 8.204 ( -2.298 5.607 0.249) 6.065 8.631 ( -4.617 -7.540 2.582) 9.211 8.631 ( -4.617 7.540 2.582) 9.211 8.866 ( -5.387 -5.528 -2.462) 8.102 8.866 ( -5.387 5.528 -2.462) 8.102 9.628 ( 2.595 -2.898 2.547) 4.649 9.628 ( 2.595 2.898 2.547) 4.649 9.860 ( 0.677 -2.277 -2.804) 3.675 9.860 ( 0.677 2.277 -2.804) 3.675 10.224 ( 3.548 -2.149 -1.265) 4.336 10.224 ( 3.548 2.149 -1.265) 4.336 10.365 ( 6.039 -1.847 -1.413) 6.471 10.365 ( 6.039 1.847 -1.413) 6.471 11.254 ( 8.207 -1.012 0.515) 8.285 11.254 ( 8.207 1.012 0.515) 8.285 11.459 ( 9.200 -2.918 -4.220) 10.534 11.459 ( 9.200 2.918 -4.220) 10.534 12.346 ( 1.463 -1.847 9.064) 9.365 12.346 ( 1.463 1.847 9.064) 9.365 12.769 ( 0.788 -0.712 -0.275) 1.097 12.769 ( 0.788 0.712 -0.275) 1.097 13.402 ( 3.849 -8.188 2.304) 9.336 13.402 ( 3.849 8.188 2.304) 9.336 13.712 ( -8.816 -4.119 -4.713) 10.812 13.712 ( -8.816 4.119 -4.713) 10.812 14.491 ( -1.002 -3.271 3.587) 4.957 14.491 ( -1.002 3.271 3.587) 4.957 14.812 ( -5.715 -2.579 -2.060) 6.600 14.812 ( -5.715 2.579 -2.060) 6.600 15.204 ( -2.472 -3.033 3.774) 5.436 15.204 ( -2.472 3.033 3.774) 5.436 15.819 ( -8.498 -7.043 -5.703) 12.423 15.819 ( -8.498 7.043 -5.703) 12.423 16.387 ( 2.560 -2.358 2.272) 4.156 16.387 ( 2.560 2.358 2.272) 4.156 16.781 ( 4.663 -5.327 0.145) 7.081 16.781 ( 4.663 5.327 0.145) 7.081 17.445 ( 5.824 -3.408 0.669) 6.781 17.445 ( 5.824 3.408 0.669) 6.781 17.768 ( 4.649 -4.594 -2.964) 7.176 17.768 ( 4.649 4.594 -2.964) 7.176 18.295 ( 3.543 -6.732 1.604) 7.775 18.295 ( 3.543 6.732 1.604) 7.775 18.664 ( -4.349 -4.863 -0.807) 6.574 18.664 ( -4.349 4.863 -0.807) 6.574 19.060 ( -0.173 -4.772 1.232) 4.932 19.060 ( -0.173 4.772 1.232) 4.932 19.192 ( -2.506 -4.035 -0.394) 4.766 19.192 ( -2.506 4.035 -0.394) 4.766 19.982 ( 2.678 -7.292 3.187) 8.396 19.982 ( 2.678 7.292 3.187) 8.396 20.383 ( -0.905 -7.167 -4.035) 8.274 20.383 ( -0.905 7.167 -4.035) 8.274 20.943 ( -0.693 -5.536 1.105) 5.687 20.943 ( -0.693 5.536 1.105) 5.687 21.172 ( -4.339 -3.992 -5.367) 7.973 21.172 ( -4.339 3.992 -5.367) 7.973 21.809 ( 1.103 -1.994 3.479) 4.159 21.809 ( 1.103 1.994 3.479) 4.159 22.371 ( -2.952 -4.738 -0.944) 5.661 22.371 ( -2.952 4.738 -0.944) 5.661 ======================= Grid point 116 (46/72) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 9.759 -9.090 6.893) 15.013 1.949 ( 9.759 9.090 6.893) 15.013 2.119 ( 8.878 -8.179 4.420) 12.855 2.119 ( 8.878 8.179 4.420) 12.855 2.474 ( 0.187 -2.955 -3.076) 4.269 2.474 ( 0.187 2.955 -3.076) 4.269 2.769 ( -1.388 -1.423 -4.710) 5.112 2.769 ( -1.388 1.423 -4.710) 5.112 2.938 ( 1.526 -1.347 -3.165) 3.763 2.938 ( 1.526 1.347 -3.165) 3.763 3.070 ( -1.466 -4.700 -0.342) 4.936 3.070 ( -1.466 4.700 -0.342) 4.936 3.210 ( -5.373 -3.204 0.955) 6.328 3.210 ( -5.373 3.204 0.955) 6.328 3.520 ( -2.665 -4.134 -2.386) 5.467 3.520 ( -2.665 4.134 -2.386) 5.467 3.625 ( 0.496 -5.041 1.571) 5.303 3.625 ( 0.496 5.041 1.571) 5.303 3.765 ( 0.752 -3.350 -0.089) 3.434 3.765 ( 0.752 3.350 -0.089) 3.434 4.153 ( 7.565 -10.629 4.256) 13.723 4.153 ( 7.565 10.629 4.256) 13.723 4.559 ( 0.541 -4.423 2.535) 5.127 4.559 ( 0.541 4.423 2.535) 5.127 4.857 ( 0.840 -9.353 -5.525) 10.895 4.857 ( 0.840 9.353 -5.525) 10.895 5.070 ( -3.989 -6.446 -1.944) 7.826 5.070 ( -3.989 6.446 -1.944) 7.826 5.510 ( -1.134 -1.349 3.189) 3.644 5.510 ( -1.134 1.349 3.189) 3.644 5.674 ( -2.674 -6.946 -0.099) 7.443 5.674 ( -2.674 6.946 -0.099) 7.443 5.968 ( 1.522 -3.854 0.139) 4.146 5.968 ( 1.522 3.854 0.139) 4.146 6.046 ( 5.564 -6.412 -1.365) 8.599 6.046 ( 5.564 6.412 -1.365) 8.599 6.203 ( 0.203 -3.560 0.371) 3.585 6.203 ( 0.203 3.560 0.371) 3.585 6.275 ( -0.372 -4.009 0.323) 4.039 6.275 ( -0.372 4.009 0.323) 4.039 7.498 ( 3.159 -4.494 2.521) 6.044 7.498 ( 3.159 4.494 2.521) 6.044 7.759 ( -1.360 -3.835 -1.128) 4.222 7.759 ( -1.360 3.835 -1.128) 4.222 7.950 ( -3.254 -5.319 1.364) 6.383 7.950 ( -3.254 5.319 1.364) 6.383 8.121 ( -6.245 -5.768 -0.696) 8.529 8.121 ( -6.245 5.768 -0.696) 8.529 8.574 ( -0.703 -7.493 2.291) 7.867 8.574 ( -0.703 7.493 2.291) 7.867 8.791 ( -2.681 -4.714 -2.278) 5.882 8.791 ( -2.681 4.714 -2.278) 5.882 9.681 ( 2.712 -2.146 1.752) 3.877 9.681 ( 2.712 2.146 1.752) 3.877 9.859 ( -0.672 -2.793 -1.873) 3.429 9.859 ( -0.672 2.793 -1.873) 3.429 10.280 ( 2.441 -2.112 0.543) 3.274 10.280 ( 2.441 2.112 0.543) 3.274 10.483 ( 5.705 -1.221 -2.924) 6.526 10.483 ( 5.705 1.221 -2.924) 6.526 11.393 ( 5.787 -1.819 1.207) 6.185 11.393 ( 5.787 1.819 1.207) 6.185 11.600 ( 5.100 -2.666 -4.207) 7.128 11.600 ( 5.100 2.666 -4.207) 7.128 12.397 ( 3.759 -1.408 7.289) 8.321 12.397 ( 3.759 1.408 7.289) 8.321 12.774 ( -0.576 -2.682 -0.793) 2.856 12.774 ( -0.576 2.682 -0.793) 2.856 13.432 ( -0.271 -7.782 -0.278) 7.791 13.432 ( -0.271 7.782 -0.278) 7.791 13.620 ( -0.996 -8.574 0.048) 8.632 13.620 ( -0.996 8.574 0.048) 8.632 14.480 ( -0.194 -2.419 1.269) 2.739 14.480 ( -0.194 2.419 1.269) 2.739 14.721 ( -3.564 -2.463 -1.373) 4.544 14.721 ( -3.564 2.463 -1.373) 4.544 15.148 ( -2.715 -3.812 4.286) 6.346 15.148 ( -2.715 3.812 4.286) 6.346 15.638 ( -9.795 -6.483 -5.854) 13.124 15.638 ( -9.795 6.483 -5.854) 13.124 16.456 ( 4.301 -1.845 3.015) 5.567 16.456 ( 4.301 1.845 3.015) 5.567 16.856 ( 2.719 -6.426 -0.368) 6.987 16.856 ( 2.719 6.426 -0.368) 6.987 17.555 ( 5.589 -2.896 0.540) 6.318 17.555 ( 5.589 2.896 0.540) 6.318 17.827 ( 1.205 -4.670 -3.723) 6.093 17.827 ( 1.205 4.670 -3.723) 6.093 18.372 ( 4.419 -6.606 1.449) 8.079 18.372 ( 4.419 6.606 1.449) 8.079 18.585 ( -3.284 -5.792 0.154) 6.660 18.585 ( -3.284 5.792 0.154) 6.660 19.058 ( -0.333 -4.447 1.274) 4.638 19.058 ( -0.333 4.447 1.274) 4.638 19.168 ( -0.329 -2.184 -0.916) 2.391 19.168 ( -0.329 2.184 -0.916) 2.391 20.025 ( 2.159 -8.620 1.874) 9.081 20.025 ( 2.159 8.620 1.874) 9.081 20.352 ( -2.557 -8.543 -2.232) 9.193 20.352 ( -2.557 8.543 -2.232) 9.193 20.930 ( -0.547 -4.895 0.101) 4.926 20.930 ( -0.547 4.895 0.101) 4.926 21.088 ( -4.082 -3.283 -3.027) 6.050 21.088 ( -4.082 3.283 -3.027) 6.050 21.847 ( 2.721 -2.367 2.821) 4.579 21.847 ( 2.721 2.367 2.821) 4.579 22.297 ( -4.516 -4.016 -1.404) 6.205 22.297 ( -4.516 4.016 -1.404) 6.205 ======================= Grid point 118 (47/72) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 6.407 -1.597 2.212) 6.964 2.129 ( 6.407 1.597 2.212) 6.964 2.248 ( 6.384 -4.691 2.936) 8.449 2.248 ( 6.384 4.691 2.936) 8.449 2.524 ( 4.422 -1.856 0.268) 4.804 2.524 ( 4.422 1.856 0.268) 4.804 2.700 ( -4.363 -2.307 -5.735) 7.566 2.700 ( -4.363 2.307 -5.735) 7.566 2.928 ( -4.043 -2.207 -2.166) 5.090 2.928 ( -4.043 2.207 -2.166) 5.090 3.006 ( -4.337 -2.605 -1.095) 5.176 3.006 ( -4.337 2.605 -1.095) 5.176 3.166 ( 2.087 -3.963 2.668) 5.213 3.166 ( 2.087 3.963 2.668) 5.213 3.451 ( -4.184 -3.046 -1.842) 5.494 3.451 ( -4.184 3.046 -1.842) 5.494 3.643 ( 1.613 -7.572 0.110) 7.743 3.643 ( 1.613 7.572 0.110) 7.743 3.764 ( -1.270 -3.555 -0.520) 3.810 3.764 ( -1.270 3.555 -0.520) 3.810 4.313 ( 7.977 -6.097 4.476) 10.993 4.313 ( 7.977 6.097 4.476) 10.993 4.566 ( -0.248 -4.222 3.536) 5.513 4.566 ( -0.248 4.222 3.536) 5.513 4.867 ( 0.369 -7.135 -2.742) 7.652 4.867 ( 0.369 7.135 -2.742) 7.652 5.002 ( -3.187 -5.235 -2.319) 6.553 5.002 ( -3.187 5.235 -2.319) 6.553 5.507 ( 0.986 -3.774 1.577) 4.207 5.507 ( 0.986 3.774 1.577) 4.207 5.608 ( -3.645 -5.704 -0.165) 6.771 5.608 ( -3.645 5.704 -0.165) 6.771 5.985 ( 0.628 -3.923 0.377) 3.990 5.985 ( 0.628 3.923 0.377) 3.990 6.119 ( 1.448 -5.625 -3.298) 6.679 6.119 ( 1.448 5.625 -3.298) 6.679 6.233 ( 2.522 -2.405 0.970) 3.617 6.233 ( 2.522 2.405 0.970) 3.617 6.279 ( 0.544 -3.737 0.960) 3.896 6.279 ( 0.544 3.737 0.960) 3.896 7.576 ( 4.643 -5.405 2.204) 7.458 7.576 ( 4.643 5.405 2.204) 7.458 7.729 ( -2.012 -4.937 -0.127) 5.333 7.729 ( -2.012 4.937 -0.127) 5.333 7.878 ( -3.566 -4.856 1.530) 6.216 7.878 ( -3.566 4.856 1.530) 6.216 7.995 ( -5.798 -3.796 -0.687) 6.964 7.995 ( -5.798 3.796 -0.687) 6.964 8.596 ( 2.254 -5.993 1.060) 6.490 8.596 ( 2.254 5.993 1.060) 6.490 8.750 ( -1.867 -3.769 -1.978) 4.648 8.750 ( -1.867 3.769 -1.978) 4.648 9.732 ( 2.695 -1.881 0.908) 3.410 9.732 ( 2.695 1.881 0.908) 3.410 9.834 ( -2.000 -2.852 -0.910) 3.600 9.834 ( -2.000 2.852 -0.910) 3.600 10.319 ( 1.560 -1.473 1.583) 2.666 10.319 ( 1.560 1.473 1.583) 2.666 10.571 ( 3.217 -0.558 -3.655) 4.901 10.571 ( 3.217 0.558 -3.655) 4.901 11.470 ( 2.439 -1.310 1.652) 3.224 11.470 ( 2.439 1.310 1.652) 3.224 11.659 ( 1.476 -1.710 -3.468) 4.139 11.659 ( 1.476 1.710 -3.468) 4.139 12.475 ( 3.861 -1.460 5.148) 6.598 12.475 ( 3.861 1.460 5.148) 6.598 12.743 ( -2.340 -3.314 -0.859) 4.147 12.743 ( -2.340 3.314 -0.859) 4.147 13.455 ( 3.144 -6.518 -0.779) 7.279 13.455 ( 3.144 6.518 -0.779) 7.279 13.604 ( -1.814 -7.223 1.250) 7.552 13.604 ( -1.814 7.223 1.250) 7.552 14.485 ( 0.774 -1.290 1.302) 1.989 14.485 ( 0.774 1.290 1.302) 1.989 14.667 ( -2.378 -1.472 -1.079) 2.997 14.667 ( -2.378 1.472 -1.079) 2.997 15.122 ( 0.244 -3.235 2.977) 4.403 15.122 ( 0.244 3.235 2.977) 4.403 15.464 ( -7.686 -4.721 -4.578) 10.116 15.464 ( -7.686 4.721 -4.578) 10.116 16.537 ( 3.632 -1.426 3.729) 5.397 16.537 ( 3.632 1.426 3.729) 5.397 16.881 ( 0.106 -4.616 -1.716) 4.926 16.881 ( 0.106 4.616 -1.716) 4.926 17.658 ( 5.143 -3.804 -0.102) 6.397 17.658 ( 5.143 3.804 -0.102) 6.397 17.815 ( -2.177 -6.083 -2.872) 7.070 17.815 ( -2.177 6.083 -2.872) 7.070 18.450 ( 3.057 -6.869 1.716) 7.712 18.450 ( 3.057 6.869 1.716) 7.712 18.551 ( -0.272 -7.665 0.475) 7.684 18.551 ( -0.272 7.665 0.475) 7.684 19.059 ( 0.866 -3.191 0.645) 3.369 19.059 ( 0.866 3.191 0.645) 3.369 19.152 ( -1.799 -1.138 -1.108) 2.400 19.152 ( -1.799 1.138 -1.108) 2.400 20.079 ( 3.641 -9.250 0.845) 9.977 20.079 ( 3.641 9.250 0.845) 9.977 20.280 ( -4.727 -9.471 -1.134) 10.645 20.280 ( -4.727 9.471 -1.134) 10.645 20.926 ( 0.144 -3.093 -0.395) 3.121 20.926 ( 0.144 3.093 -0.395) 3.121 21.024 ( -2.452 -1.404 -1.698) 3.296 21.024 ( -2.452 1.404 -1.698) 3.296 21.905 ( 3.037 -1.764 2.693) 4.425 21.905 ( 3.037 1.764 2.693) 4.425 22.209 ( -4.230 -2.771 -1.671) 5.325 22.209 ( -4.230 2.771 -1.671) 5.325 ======================= Grid point 120 (48/72) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.000 -0.000 1.415) 1.415 2.170 ( 0.000 0.000 1.415) 1.415 2.354 ( 0.000 -0.000 1.177) 1.177 2.354 ( 0.000 0.000 1.177) 1.177 2.583 ( -0.000 0.000 -0.250) 0.250 2.583 ( 0.000 0.000 -0.250) 0.250 2.634 ( 0.000 -0.000 -4.020) 4.020 2.634 ( -0.000 0.000 -4.020) 4.020 2.906 ( 0.000 -0.000 -2.894) 2.894 2.906 ( 0.000 0.000 -2.894) 2.894 2.911 ( -0.000 -0.000 -0.496) 0.496 2.911 ( -0.000 0.000 -0.496) 0.496 3.225 ( 0.000 0.000 3.922) 3.922 3.225 ( 0.000 0.000 3.922) 3.922 3.385 ( -0.000 -0.000 0.514) 0.514 3.385 ( 0.000 0.000 0.514) 0.514 3.671 ( -0.000 0.000 -1.012) 1.012 3.671 ( 0.000 0.000 -1.012) 1.012 3.739 ( 0.000 -0.000 -2.002) 2.002 3.739 ( 0.000 0.000 -2.002) 2.002 4.410 ( 0.000 -0.000 3.652) 3.652 4.410 ( 0.000 0.000 3.652) 3.652 4.549 ( 0.000 0.000 3.634) 3.634 4.549 ( 0.000 0.000 3.634) 3.634 4.874 ( 0.000 -0.000 -1.493) 1.493 4.874 ( 0.000 0.000 -1.493) 1.493 4.964 ( 0.000 -0.000 -2.095) 2.095 4.964 ( 0.000 0.000 -2.095) 2.095 5.544 ( 0.000 -0.000 0.452) 0.452 5.544 ( 0.000 0.000 0.452) 0.452 5.546 ( -0.000 -0.000 0.523) 0.523 5.546 ( -0.000 0.000 0.523) 0.523 5.992 ( 0.000 -0.000 0.066) 0.066 5.992 ( 0.000 0.000 0.066) 0.066 6.127 ( 0.000 -0.000 -4.251) 4.251 6.127 ( 0.000 0.000 -4.251) 4.251 6.266 ( 0.000 -0.000 1.693) 1.693 6.266 ( 0.000 0.000 1.693) 1.693 6.283 ( 0.000 -0.000 1.135) 1.135 6.283 ( 0.000 0.000 1.135) 1.135 7.648 ( -0.000 -0.000 1.006) 1.006 7.648 ( 0.000 -0.000 1.006) 1.006 7.686 ( 0.000 0.000 1.639) 1.639 7.686 ( 0.000 0.000 1.639) 1.639 7.840 ( 0.000 -0.000 1.759) 1.759 7.840 ( 0.000 0.000 1.759) 1.759 7.933 ( 0.000 -0.000 -1.085) 1.085 7.933 ( 0.000 0.000 -1.085) 1.085 8.627 ( 0.000 0.000 0.464) 0.464 8.627 ( 0.000 0.000 0.464) 0.464 8.725 ( 0.000 -0.000 -1.821) 1.821 8.725 ( 0.000 0.000 -1.821) 1.821 9.783 ( 0.000 -0.000 0.222) 0.222 9.783 ( -0.000 0.000 0.222) 0.222 9.788 ( -0.000 -0.000 -0.136) 0.136 9.788 ( 0.000 0.000 -0.136) 0.136 10.335 ( 0.000 0.000 1.900) 1.900 10.335 ( 0.000 0.000 1.900) 1.900 10.602 ( 0.000 0.000 -3.912) 3.912 10.602 ( 0.000 0.000 -3.912) 3.912 11.493 ( 0.000 -0.000 1.836) 1.836 11.493 ( 0.000 0.000 1.836) 1.836 11.671 ( 0.000 -0.000 -3.164) 3.164 11.671 ( 0.000 0.000 -3.164) 3.164 12.520 ( 0.000 0.000 4.318) 4.318 12.520 ( 0.000 0.000 4.318) 4.318 12.713 ( 0.000 -0.000 -0.818) 0.818 12.713 ( 0.000 0.000 -0.818) 0.818 13.520 ( -0.000 -0.000 0.579) 0.579 13.520 ( 0.000 0.000 0.579) 0.579 13.556 ( 0.000 -0.000 -0.151) 0.151 13.556 ( 0.000 0.000 -0.151) 0.151 14.499 ( 0.000 0.000 1.798) 1.798 14.499 ( 0.000 0.000 1.798) 1.798 14.638 ( -0.000 0.000 -0.839) 0.839 14.638 ( 0.000 0.000 -0.839) 0.839 15.136 ( 0.000 0.000 1.649) 1.649 15.136 ( 0.000 0.000 1.649) 1.649 15.378 ( 0.000 0.000 -3.563) 3.563 15.378 ( 0.000 0.000 -3.563) 3.563 16.576 ( 0.000 0.000 4.196) 4.196 16.576 ( 0.000 0.000 4.196) 4.196 16.878 ( 0.000 0.000 -2.523) 2.523 16.878 ( 0.000 0.000 -2.523) 2.523 17.736 ( 0.000 -0.000 -1.115) 1.115 17.736 ( 0.000 0.000 -1.115) 1.115 17.766 ( -0.000 -0.000 -1.680) 1.680 17.766 ( 0.000 0.000 -1.680) 1.680 18.478 ( 0.000 -0.000 2.311) 2.311 18.478 ( 0.000 0.000 2.311) 2.311 18.555 ( 0.000 -0.000 0.265) 0.265 18.555 ( 0.000 0.000 0.265) 0.265 19.088 ( 0.000 -0.000 -0.374) 0.374 19.088 ( 0.000 0.000 -0.374) 0.374 19.112 ( -0.000 -0.000 -0.655) 0.655 19.112 ( 0.000 0.000 -0.655) 0.655 20.145 ( -0.000 0.000 0.376) 0.376 20.145 ( 0.000 0.000 0.376) 0.376 20.203 ( 0.000 -0.000 -0.706) 0.706 20.203 ( 0.000 -0.000 -0.706) 0.706 20.930 ( 0.000 -0.000 -0.138) 0.138 20.930 ( 0.000 0.000 -0.138) 0.138 20.999 ( 0.000 0.000 -1.623) 1.623 20.999 ( 0.000 0.000 -1.623) 1.623 21.942 ( 0.000 0.000 2.968) 2.968 21.942 ( 0.000 0.000 2.968) 2.968 22.160 ( 0.000 0.000 -2.028) 2.028 22.160 ( 0.000 0.000 -2.028) 2.028 ======================= Grid point 154 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.000 0.000 25.609) 25.609 1.223 ( 0.000 0.000 28.199) 28.199 1.600 ( 0.000 0.000 -22.417) 22.417 1.743 ( 0.000 0.000 -19.380) 19.380 2.216 ( 0.000 0.000 42.525) 42.525 2.657 ( 0.000 0.000 11.774) 11.774 2.667 ( 0.000 0.000 2.133) 2.133 2.782 ( 0.000 0.000 0.389) 0.389 2.840 ( 0.000 0.000 -3.203) 3.203 3.024 ( 0.000 0.000 1.084) 1.084 3.053 ( 0.000 0.000 -4.787) 4.787 3.150 ( 0.000 0.000 -34.439) 34.439 3.154 ( 0.000 0.000 2.684) 2.684 3.248 ( 0.000 0.000 -5.407) 5.407 3.449 ( 0.000 0.000 4.357) 4.357 3.514 ( 0.000 0.000 -2.181) 2.181 3.561 ( 0.000 0.000 6.364) 6.364 3.638 ( 0.000 0.000 -2.210) 2.210 3.876 ( 0.000 0.000 2.087) 2.087 3.938 ( 0.000 0.000 -5.749) 5.749 4.065 ( 0.000 0.000 2.453) 2.453 4.164 ( 0.000 0.000 -5.925) 5.925 4.644 ( 0.000 0.000 5.535) 5.535 4.752 ( 0.000 0.000 -1.953) 1.953 4.814 ( 0.000 0.000 1.539) 1.539 4.840 ( 0.000 0.000 -4.984) 4.984 5.063 ( 0.000 0.000 -1.105) 1.105 5.071 ( 0.000 0.000 -2.934) 2.934 5.194 ( 0.000 0.000 6.106) 6.106 5.301 ( 0.000 0.000 -3.427) 3.427 5.542 ( 0.000 0.000 1.404) 1.404 5.587 ( 0.000 0.000 -2.164) 2.164 5.701 ( 0.000 0.000 5.381) 5.381 5.779 ( 0.000 0.000 -1.212) 1.212 5.967 ( 0.000 0.000 0.589) 0.589 5.969 ( 0.000 0.000 0.553) 0.553 6.179 ( 0.000 0.000 0.388) 0.388 6.208 ( 0.000 0.000 -1.697) 1.697 6.671 ( 0.000 0.000 4.851) 4.851 6.738 ( 0.000 0.000 -1.922) 1.922 7.342 ( 0.000 0.000 1.639) 1.639 7.387 ( 0.000 0.000 -2.755) 2.755 7.843 ( 0.000 0.000 0.109) 0.109 7.852 ( 0.000 0.000 -0.736) 0.736 8.029 ( 0.000 0.000 2.182) 2.182 8.081 ( 0.000 0.000 -2.526) 2.526 8.335 ( 0.000 0.000 4.709) 4.709 8.390 ( 0.000 0.000 -0.371) 0.371 8.737 ( 0.000 0.000 -1.434) 1.434 8.751 ( 0.000 0.000 -2.448) 2.448 9.174 ( 0.000 0.000 1.621) 1.621 9.199 ( 0.000 0.000 -0.700) 0.700 9.625 ( 0.000 0.000 4.344) 4.344 9.673 ( 0.000 0.000 -0.347) 0.347 9.708 ( 0.000 0.000 2.479) 2.479 9.763 ( 0.000 0.000 -2.392) 2.392 10.074 ( 0.000 0.000 0.037) 0.037 10.087 ( 0.000 0.000 -1.546) 1.546 10.165 ( 0.000 0.000 -0.326) 0.326 10.207 ( 0.000 0.000 -3.676) 3.676 10.662 ( 0.000 0.000 3.411) 3.411 10.728 ( 0.000 0.000 -2.896) 2.896 11.388 ( 0.000 0.000 4.594) 4.594 11.494 ( 0.000 0.000 -5.577) 5.577 12.593 ( 0.000 0.000 6.961) 6.961 12.694 ( 0.000 0.000 -2.203) 2.203 12.742 ( 0.000 0.000 1.165) 1.165 12.783 ( 0.000 0.000 -2.273) 2.273 13.482 ( 0.000 0.000 0.569) 0.569 13.513 ( 0.000 0.000 -2.110) 2.110 13.704 ( 0.000 0.000 2.352) 2.352 13.774 ( 0.000 0.000 -4.690) 4.690 14.490 ( 0.000 0.000 0.938) 0.938 14.512 ( 0.000 0.000 -1.304) 1.304 14.998 ( 0.000 0.000 3.883) 3.883 15.035 ( 0.000 0.000 -1.360) 1.360 15.046 ( 0.000 0.000 7.231) 7.231 15.196 ( 0.000 0.000 -5.487) 5.487 15.913 ( 0.000 0.000 3.880) 3.880 15.990 ( 0.000 0.000 -3.656) 3.656 16.333 ( 0.000 0.000 -1.296) 1.296 16.349 ( 0.000 0.000 -3.160) 3.160 16.990 ( 0.000 0.000 0.843) 0.843 17.007 ( 0.000 0.000 -1.035) 1.035 17.150 ( 0.000 0.000 4.977) 4.977 17.220 ( 0.000 0.000 -1.741) 1.741 17.873 ( 0.000 0.000 1.168) 1.168 17.903 ( 0.000 0.000 -1.648) 1.648 18.068 ( 0.000 0.000 6.737) 6.737 18.220 ( 0.000 0.000 -7.768) 7.768 18.597 ( 0.000 0.000 1.608) 1.608 18.615 ( 0.000 0.000 -0.176) 0.176 19.013 ( 0.000 0.000 1.399) 1.399 19.062 ( 0.000 0.000 -3.319) 3.319 19.203 ( 0.000 0.000 1.358) 1.358 19.226 ( 0.000 0.000 -0.808) 0.808 19.594 ( 0.000 0.000 0.614) 0.614 19.607 ( 0.000 0.000 -0.623) 0.623 20.312 ( 0.000 0.000 3.993) 3.993 20.383 ( 0.000 0.000 -2.792) 2.792 20.757 ( 0.000 0.000 11.738) 11.738 20.975 ( 0.000 0.000 -7.311) 7.311 21.136 ( 0.000 0.000 -3.299) 3.299 21.138 ( 0.000 0.000 -1.899) 1.899 21.925 ( 0.000 0.000 1.691) 1.691 21.957 ( 0.000 0.000 -1.446) 1.446 22.574 ( 0.000 0.000 0.862) 0.862 22.592 ( 0.000 0.000 -0.806) 0.806 ======================= Grid point 155 (50/72) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 12.303 0.000 21.853) 25.078 1.367 ( 12.726 0.000 21.943) 25.366 1.710 ( 10.279 0.000 -19.633) 22.161 1.845 ( 9.301 0.000 -18.297) 20.525 2.365 ( 15.211 0.000 38.230) 41.145 2.667 ( 1.308 0.000 13.025) 13.091 2.719 ( 4.708 0.000 3.872) 6.096 2.792 ( 1.463 0.000 -1.201) 1.893 2.850 ( 0.703 0.000 -3.837) 3.901 2.990 ( -3.981 0.000 0.344) 3.996 3.021 ( -2.770 0.000 -4.056) 4.912 3.121 ( -0.826 0.000 -4.475) 4.550 3.235 ( -1.210 0.000 -4.717) 4.870 3.243 ( 5.664 0.000 -21.790) 22.514 3.444 ( 0.347 0.000 3.474) 3.491 3.492 ( -2.436 0.000 -1.352) 2.786 3.547 ( -0.905 0.000 3.889) 3.993 3.602 ( -2.643 0.000 -2.217) 3.450 3.851 ( -2.650 0.000 1.052) 2.851 3.912 ( -3.274 0.000 -5.836) 6.692 4.008 ( -4.770 0.000 2.436) 5.356 4.111 ( -4.827 0.000 -6.664) 8.228 4.634 ( -1.860 0.000 6.711) 6.964 4.754 ( -2.685 0.000 -3.160) 4.146 4.767 ( 0.480 0.000 2.188) 2.240 4.878 ( 0.804 0.000 -7.260) 7.304 5.015 ( -1.316 0.000 2.138) 2.510 5.077 ( -0.906 0.000 -2.764) 2.908 5.199 ( 0.717 0.000 6.216) 6.257 5.314 ( 1.053 0.000 -3.999) 4.136 5.561 ( 1.599 0.000 2.189) 2.711 5.606 ( 0.964 0.000 -1.840) 2.077 5.763 ( 5.299 0.000 3.387) 6.289 5.821 ( 4.086 0.000 -1.376) 4.311 6.010 ( 4.627 0.000 0.733) 4.685 6.017 ( 4.673 0.000 -0.072) 4.674 6.194 ( 1.308 0.000 0.938) 1.610 6.228 ( 1.785 0.000 -1.888) 2.599 6.620 ( -5.086 0.000 5.177) 7.257 6.697 ( -4.490 0.000 -2.606) 5.191 7.343 ( 0.346 0.000 1.946) 1.976 7.396 ( 0.759 0.000 -3.189) 3.278 7.832 ( -2.121 0.000 0.143) 2.126 7.834 ( -0.938 0.000 -0.226) 0.965 8.001 ( -2.038 0.000 2.803) 3.465 8.048 ( -2.321 0.000 -1.122) 2.578 8.356 ( 1.380 0.000 5.454) 5.626 8.425 ( 3.062 0.000 -0.947) 3.205 8.637 ( -8.022 0.000 -1.521) 8.165 8.658 ( -8.024 0.000 -3.034) 8.579 9.182 ( -0.670 0.000 2.378) 2.471 9.225 ( 0.094 0.000 -1.677) 1.680 9.598 ( -1.787 0.000 2.548) 3.112 9.625 ( -1.305 0.000 1.076) 1.691 9.727 ( -2.555 0.000 -1.152) 2.802 9.737 ( -0.379 0.000 -1.198) 1.257 10.125 ( 4.662 0.000 0.706) 4.715 10.152 ( 2.137 0.000 -0.075) 2.138 10.179 ( 6.528 0.000 1.064) 6.614 10.276 ( 5.969 0.000 -6.210) 8.614 10.764 ( 9.491 0.000 2.561) 9.830 10.814 ( 8.084 0.000 -2.125) 8.359 11.436 ( 4.612 0.000 3.569) 5.831 11.529 ( 3.351 0.000 -5.162) 6.154 12.585 ( -0.740 0.000 6.313) 6.357 12.680 ( -1.257 0.000 -2.720) 2.996 12.749 ( 0.956 0.000 2.838) 2.995 12.810 ( 1.955 0.000 -2.760) 3.382 13.279 ( -13.075 0.000 12.583) 18.146 13.496 ( -6.737 0.000 -9.189) 11.394 13.753 ( 3.975 0.000 1.098) 4.124 13.812 ( 4.828 0.000 -4.418) 6.544 14.466 ( -3.447 0.000 1.052) 3.604 14.477 ( -1.782 0.000 -0.227) 1.797 14.835 ( -7.840 0.000 5.713) 9.701 14.913 ( -7.342 0.000 -2.225) 7.672 15.223 ( 4.772 0.000 0.469) 4.795 15.235 ( 3.469 0.000 -0.581) 3.517 15.829 ( -8.844 0.000 6.710) 11.101 15.980 ( -2.996 0.000 -7.552) 8.125 16.289 ( -2.365 0.000 -0.394) 2.398 16.314 ( -0.069 0.000 -2.321) 2.322 17.021 ( 1.743 0.000 4.709) 5.021 17.114 ( 5.284 0.000 -3.429) 6.299 17.156 ( 2.440 0.000 2.218) 3.297 17.221 ( 1.589 0.000 -2.766) 3.190 17.853 ( -1.495 0.000 2.559) 2.963 17.902 ( -0.117 0.000 -1.751) 1.755 18.076 ( 1.453 0.000 7.874) 8.007 18.247 ( 3.532 0.000 -8.450) 9.159 18.634 ( 3.200 0.000 1.613) 3.584 18.661 ( 3.845 0.000 -0.728) 3.913 19.013 ( -0.165 0.000 1.366) 1.376 19.058 ( -0.407 0.000 -2.924) 2.952 19.287 ( 5.116 0.000 2.215) 5.575 19.369 ( 11.814 0.000 -6.913) 13.688 19.603 ( 1.074 0.000 0.176) 1.088 19.608 ( 0.092 0.000 -0.216) 0.235 20.292 ( -0.357 0.000 4.087) 4.102 20.373 ( -0.620 0.000 -3.585) 3.638 20.778 ( 1.788 0.000 10.465) 10.617 20.979 ( 0.017 0.000 -7.471) 7.471 21.093 ( -2.669 0.000 1.229) 2.939 21.160 ( 0.657 0.000 -4.815) 4.860 21.920 ( -0.647 0.000 1.716) 1.834 21.952 ( -0.568 0.000 -1.376) 1.489 22.469 ( -7.856 0.000 5.735) 9.727 22.565 ( -4.133 0.000 -4.307) 5.970 ======================= Grid point 156 (51/72) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 17.349 0.000 15.378) 23.183 1.640 ( 15.144 0.000 14.507) 20.971 1.938 ( 12.398 0.000 -14.192) 18.845 2.034 ( 9.254 0.000 -13.814) 16.627 2.604 ( 0.776 0.000 12.997) 13.020 2.772 ( 8.598 0.000 9.614) 12.898 2.811 ( -2.427 0.000 -4.666) 5.259 2.854 ( 2.210 0.000 5.027) 5.492 2.870 ( -0.680 0.000 4.025) 4.082 2.897 ( 10.585 0.000 6.607) 12.477 2.963 ( -3.241 0.000 -4.799) 5.791 3.096 ( -2.312 0.000 0.628) 2.396 3.208 ( -1.114 0.000 -2.396) 2.642 3.291 ( -1.303 0.000 -3.706) 3.929 3.413 ( -4.045 0.000 2.665) 4.844 3.465 ( -1.892 0.000 0.519) 1.962 3.538 ( -0.453 0.000 -0.121) 0.469 3.627 ( 6.236 0.000 -10.231) 11.981 3.792 ( -1.466 0.000 -1.099) 1.832 3.835 ( -2.715 0.000 -5.629) 6.250 3.927 ( -3.016 0.000 1.524) 3.380 4.024 ( -2.195 0.000 -8.712) 8.984 4.558 ( -5.318 0.000 6.491) 8.391 4.668 ( -6.608 0.000 -2.295) 6.995 4.788 ( 0.604 0.000 2.039) 2.127 4.873 ( -0.312 0.000 -4.937) 4.947 5.023 ( 1.637 0.000 2.197) 2.740 5.077 ( 1.509 0.000 -2.891) 3.262 5.230 ( 2.474 0.000 5.576) 6.100 5.344 ( 2.101 0.000 -4.436) 4.908 5.576 ( -0.280 0.000 3.359) 3.371 5.618 ( 0.464 0.000 -1.399) 1.474 5.853 ( 3.229 0.000 2.610) 4.152 5.899 ( 3.316 0.000 -1.682) 3.718 6.135 ( 7.500 0.000 0.382) 7.510 6.142 ( 7.851 0.000 0.002) 7.851 6.221 ( 1.655 0.000 1.599) 2.301 6.262 ( 1.541 0.000 -2.206) 2.691 6.489 ( -7.952 0.000 4.099) 8.946 6.560 ( -9.449 0.000 -2.752) 9.841 7.362 ( 1.673 0.000 2.118) 2.699 7.417 ( 1.437 0.000 -3.120) 3.435 7.779 ( -2.931 0.000 2.190) 3.659 7.805 ( -1.984 0.000 -0.833) 2.152 7.980 ( -0.123 0.000 3.046) 3.048 8.017 ( -1.074 0.000 -0.217) 1.096 8.366 ( -1.621 0.000 5.405) 5.643 8.443 ( -2.976 0.000 0.116) 2.979 8.474 ( -8.894 0.000 -1.673) 9.050 8.540 ( -0.947 0.000 -4.693) 4.788 9.137 ( -3.266 0.000 1.407) 3.557 9.171 ( -4.672 0.000 -1.459) 4.894 9.578 ( -0.697 0.000 1.937) 2.059 9.611 ( -0.981 0.000 -0.036) 0.982 9.690 ( -1.100 0.000 -1.540) 1.893 9.699 ( -2.876 0.000 -1.554) 3.268 10.223 ( 5.314 0.000 3.332) 6.273 10.237 ( 6.556 0.000 0.907) 6.618 10.330 ( 8.026 0.000 -0.780) 8.064 10.406 ( 6.844 0.000 -6.531) 9.460 10.978 ( 11.641 0.000 1.300) 11.713 10.998 ( 10.247 0.000 -0.571) 10.262 11.544 ( 5.994 0.000 1.782) 6.253 11.609 ( 4.650 0.000 -4.318) 6.346 12.572 ( -0.445 0.000 5.266) 5.285 12.653 ( -1.392 0.000 -2.336) 2.720 12.775 ( 1.646 0.000 3.567) 3.929 12.818 ( -2.049 0.000 0.898) 2.237 13.082 ( -5.523 0.000 11.404) 12.671 13.314 ( -10.774 0.000 -9.746) 14.527 13.843 ( 5.702 0.000 3.487) 6.684 13.940 ( 7.381 0.000 -5.872) 9.432 14.399 ( -2.793 0.000 2.427) 3.700 14.439 ( -2.177 0.000 -1.602) 2.702 14.715 ( -5.154 0.000 4.154) 6.619 14.789 ( -5.369 0.000 -3.005) 6.153 15.211 ( -3.068 0.000 5.201) 6.039 15.299 ( 0.575 0.000 -3.094) 3.147 15.616 ( -11.636 0.000 8.250) 14.264 15.827 ( -11.309 0.000 -12.032) 16.513 16.327 ( 5.417 0.000 1.650) 5.662 16.373 ( 5.435 0.000 -2.629) 6.037 16.983 ( -4.126 0.000 8.434) 9.389 17.133 ( -2.131 0.000 -6.117) 6.477 17.260 ( 7.430 0.000 1.712) 7.624 17.327 ( 7.131 0.000 -4.925) 8.666 17.843 ( 0.838 0.000 4.243) 4.325 17.909 ( 1.193 0.000 -1.754) 2.121 18.129 ( 3.581 0.000 10.355) 10.957 18.327 ( 3.360 0.000 -8.432) 9.077 18.702 ( 3.675 0.000 1.173) 3.858 18.743 ( 4.622 0.000 -2.345) 5.183 19.003 ( -0.836 0.000 1.826) 2.008 19.049 ( -0.337 0.000 -2.470) 2.492 19.343 ( -0.419 0.000 5.880) 5.895 19.505 ( 1.957 0.000 -8.846) 9.060 19.601 ( -0.504 0.000 0.415) 0.653 19.624 ( -0.098 0.000 -3.782) 3.783 20.349 ( 5.906 0.000 2.294) 6.336 20.399 ( 3.937 0.000 -2.490) 4.658 20.808 ( 1.069 0.000 6.764) 6.848 20.950 ( -3.339 0.000 -6.274) 7.108 21.054 ( -1.031 0.000 4.635) 4.748 21.164 ( -0.242 0.000 -6.319) 6.324 21.895 ( -1.874 0.000 2.720) 3.303 21.938 ( -0.804 0.000 -1.559) 1.754 22.325 ( -6.415 0.000 7.411) 9.802 22.458 ( -6.229 0.000 -5.979) 8.634 ======================= Grid point 157 (52/72) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 15.262 0.000 10.668) 18.621 1.942 ( 15.962 0.000 9.230) 18.438 2.148 ( 7.147 0.000 -9.424) 11.828 2.192 ( 8.179 0.000 -7.799) 11.301 2.548 ( -5.136 0.000 4.395) 6.760 2.637 ( -9.704 0.000 -3.091) 10.184 2.779 ( -1.711 0.000 2.816) 3.296 2.848 ( -2.442 0.000 -2.503) 3.496 2.918 ( -1.103 0.000 -0.493) 1.209 2.935 ( 3.060 0.000 -0.854) 3.177 3.025 ( -4.147 0.000 1.880) 4.553 3.042 ( -3.516 0.000 -1.573) 3.852 3.205 ( -3.200 0.000 2.287) 3.933 3.260 ( -1.340 0.000 -1.211) 1.806 3.331 ( -5.563 0.000 2.921) 6.283 3.401 ( -5.503 0.000 -3.085) 6.308 3.610 ( 8.910 0.000 6.664) 11.126 3.686 ( 0.902 0.000 -0.355) 0.970 3.796 ( 1.440 0.000 1.024) 1.767 3.857 ( 1.214 0.000 -2.482) 2.763 3.937 ( 8.724 0.000 4.713) 9.916 4.159 ( 15.437 0.000 -13.666) 20.617 4.473 ( -2.232 0.000 1.792) 2.863 4.525 ( -6.642 0.000 -2.088) 6.962 4.776 ( -1.910 0.000 3.955) 4.393 4.855 ( -1.827 0.000 -2.549) 3.136 5.086 ( 4.974 0.000 0.934) 5.061 5.133 ( 4.101 0.000 -3.261) 5.240 5.281 ( 2.313 0.000 5.247) 5.734 5.381 ( 1.072 0.000 -3.457) 3.619 5.558 ( -1.331 0.000 4.243) 4.447 5.618 ( -0.639 0.000 -1.935) 2.038 5.873 ( -1.436 0.000 3.659) 3.931 5.939 ( 0.475 0.000 -2.261) 2.310 6.202 ( -1.660 0.000 2.513) 3.012 6.247 ( 0.458 0.000 0.058) 0.461 6.282 ( 1.879 0.000 -1.437) 2.365 6.293 ( -0.384 0.000 -1.092) 1.158 6.384 ( -0.774 0.000 -0.554) 0.952 6.393 ( -0.834 0.000 -0.443) 0.944 7.403 ( 2.353 0.000 2.020) 3.101 7.447 ( 1.467 0.000 -2.126) 2.583 7.736 ( -1.238 0.000 2.805) 3.065 7.768 ( -1.540 0.000 -0.573) 1.643 7.981 ( -0.309 0.000 2.174) 2.196 7.994 ( -1.307 0.000 0.939) 1.609 8.262 ( -7.168 0.000 -0.092) 7.169 8.284 ( -9.332 0.000 -2.273) 9.605 8.437 ( 0.970 0.000 5.685) 5.767 8.549 ( 0.251 0.000 -4.837) 4.843 9.077 ( -2.894 0.000 0.119) 2.896 9.087 ( -3.464 0.000 -0.622) 3.520 9.562 ( -1.228 0.000 1.370) 1.840 9.584 ( -1.133 0.000 -0.537) 1.254 9.645 ( -2.370 0.000 0.233) 2.381 9.681 ( -0.165 0.000 -3.129) 3.134 10.327 ( 5.135 0.000 3.493) 6.210 10.359 ( 5.644 0.000 0.601) 5.676 10.469 ( 6.111 0.000 -1.188) 6.225 10.521 ( 4.891 0.000 -5.221) 7.154 11.174 ( 8.233 0.000 1.363) 8.345 11.185 ( 8.642 0.000 0.424) 8.653 11.649 ( 4.708 0.000 0.320) 4.719 11.692 ( 3.654 0.000 -3.593) 5.125 12.571 ( 0.411 0.000 3.886) 3.907 12.628 ( -1.135 0.000 -1.478) 1.864 12.734 ( -4.331 0.000 9.278) 10.239 12.825 ( 2.058 0.000 -0.110) 2.061 13.064 ( 1.974 0.000 0.119) 1.977 13.129 ( -7.205 0.000 -5.495) 9.061 13.965 ( 6.590 0.000 5.182) 8.384 14.067 ( 5.256 0.000 -4.290) 6.785 14.370 ( -0.016 0.000 1.445) 1.445 14.402 ( -1.459 0.000 -1.325) 1.971 14.626 ( -4.379 0.000 3.709) 5.738 14.699 ( -4.309 0.000 -3.187) 5.359 15.131 ( -4.521 0.000 7.229) 8.527 15.252 ( -5.212 0.000 -3.878) 6.497 15.437 ( -6.236 0.000 5.428) 8.267 15.610 ( -10.443 0.000 -11.351) 15.424 16.447 ( 6.285 0.000 2.019) 6.602 16.493 ( 6.486 0.000 -2.363) 6.903 16.904 ( -3.637 0.000 8.765) 9.490 17.072 ( -4.032 0.000 -7.558) 8.566 17.399 ( 6.709 0.000 0.790) 6.756 17.458 ( 6.234 0.000 -4.637) 7.770 17.890 ( 3.884 0.000 4.603) 6.023 17.953 ( 3.308 0.000 -1.282) 3.547 18.190 ( 2.162 0.000 9.453) 9.697 18.341 ( -2.001 0.000 -5.187) 5.559 18.767 ( 3.003 0.000 1.506) 3.359 18.831 ( 4.126 0.000 -3.996) 5.744 18.995 ( 0.411 0.000 3.002) 3.030 19.053 ( 0.926 0.000 -2.614) 2.773 19.269 ( -6.129 0.000 7.157) 9.423 19.457 ( -6.757 0.000 -10.351) 12.362 19.609 ( 1.202 0.000 0.221) 1.222 19.620 ( 1.042 0.000 -1.704) 1.997 20.454 ( 3.861 0.000 2.512) 4.606 20.506 ( 5.725 0.000 -2.748) 6.350 20.822 ( 0.588 0.000 2.525) 2.592 20.877 ( -3.243 0.000 -2.499) 4.094 21.045 ( -0.167 0.000 4.076) 4.080 21.149 ( -1.303 0.000 -6.096) 6.234 21.862 ( -1.202 0.000 4.010) 4.186 21.920 ( -1.081 0.000 -1.807) 2.105 22.230 ( -3.594 0.000 5.602) 6.656 22.344 ( -5.384 0.000 -5.548) 7.731 ======================= Grid point 158 (53/72) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 4.916 0.000 6.770) 8.367 2.147 ( -2.948 0.000 1.647) 3.377 2.231 ( 10.438 0.000 4.022) 11.186 2.349 ( 7.153 0.000 -7.700) 10.510 2.474 ( 0.012 0.000 -1.110) 1.111 2.542 ( 0.821 0.000 -6.547) 6.599 2.763 ( -3.376 0.000 5.444) 6.405 2.831 ( 1.413 0.000 2.877) 3.206 2.860 ( -1.803 0.000 2.059) 2.737 2.886 ( -7.594 0.000 -4.736) 8.950 2.960 ( -1.770 0.000 2.522) 3.081 3.022 ( 1.834 0.000 -3.638) 4.074 3.114 ( -4.970 0.000 2.301) 5.477 3.188 ( -5.496 0.000 -0.556) 5.524 3.226 ( -4.214 0.000 -1.982) 4.657 3.305 ( -4.206 0.000 -5.306) 6.771 3.632 ( -1.160 0.000 4.072) 4.234 3.697 ( -1.537 0.000 1.434) 2.102 3.802 ( 0.113 0.000 -2.245) 2.248 3.874 ( -0.713 0.000 -5.285) 5.333 4.289 ( 18.168 0.000 8.157) 19.915 4.384 ( 4.502 0.000 0.583) 4.539 4.470 ( 4.642 0.000 1.508) 4.881 4.554 ( 8.052 0.000 -6.805) 10.543 4.731 ( -1.531 0.000 5.465) 5.676 4.821 ( -0.470 0.000 -2.303) 2.350 5.195 ( 5.587 0.000 -0.079) 5.587 5.220 ( 4.216 0.000 -1.768) 4.572 5.303 ( -0.206 0.000 4.349) 4.354 5.356 ( -3.940 0.000 0.707) 4.003 5.542 ( 0.139 0.000 1.140) 1.149 5.596 ( -1.309 0.000 -3.132) 3.395 5.790 ( -6.198 0.000 3.927) 7.337 5.877 ( -7.492 0.000 -3.584) 8.305 6.151 ( -1.123 0.000 1.237) 1.670 6.177 ( -3.088 0.000 -1.196) 3.311 6.280 ( 1.007 0.000 -0.121) 1.015 6.296 ( 0.340 0.000 -1.914) 1.944 6.456 ( 3.932 0.000 0.663) 3.987 6.466 ( 3.474 0.000 -0.360) 3.492 7.441 ( 1.375 0.000 1.625) 2.129 7.463 ( 0.131 0.000 -0.395) 0.416 7.735 ( 1.015 0.000 2.331) 2.543 7.754 ( 0.031 0.000 0.613) 0.614 7.961 ( -0.958 0.000 1.317) 1.629 7.977 ( -0.854 0.000 0.456) 0.968 8.125 ( -6.190 0.000 -0.752) 6.235 8.139 ( -5.485 0.000 -1.606) 5.716 8.466 ( 1.918 0.000 3.980) 4.418 8.539 ( -1.204 0.000 -2.898) 3.138 9.031 ( -1.584 0.000 0.186) 1.595 9.039 ( -1.761 0.000 -0.565) 1.850 9.536 ( -0.909 0.000 1.283) 1.572 9.565 ( -1.522 0.000 -1.119) 1.889 9.626 ( 0.563 0.000 0.586) 0.813 9.673 ( -0.800 0.000 -3.653) 3.739 10.412 ( 3.509 0.000 3.159) 4.722 10.440 ( 2.576 0.000 1.006) 2.765 10.560 ( 3.423 0.000 -2.068) 3.999 10.589 ( 2.061 0.000 -4.067) 4.559 11.294 ( 4.331 0.000 2.114) 4.819 11.307 ( 3.980 0.000 1.046) 4.115 11.718 ( 2.455 0.000 -0.896) 2.614 11.741 ( 1.355 0.000 -2.943) 3.240 12.585 ( 0.750 0.000 3.152) 3.240 12.618 ( 0.012 0.000 0.865) 0.865 12.676 ( -1.138 0.000 6.147) 6.252 12.807 ( -4.205 0.000 -5.156) 6.653 13.083 ( 2.246 0.000 0.928) 2.430 13.117 ( 2.441 0.000 -2.250) 3.320 14.079 ( 4.909 0.000 4.172) 6.443 14.135 ( 1.923 0.000 -0.829) 2.094 14.390 ( 0.461 0.000 0.827) 0.947 14.398 ( 2.700 0.000 -0.393) 2.728 14.538 ( -4.674 0.000 3.395) 5.777 14.609 ( -5.356 0.000 -3.015) 6.147 15.072 ( -1.090 0.000 5.354) 5.464 15.146 ( -4.597 0.000 -0.757) 4.659 15.361 ( -2.234 0.000 -0.357) 2.262 15.443 ( -6.771 0.000 -8.684) 11.011 16.554 ( 4.652 0.000 2.950) 5.509 16.598 ( 3.726 0.000 -0.636) 3.780 16.859 ( -0.539 0.000 5.067) 5.095 16.984 ( -4.899 0.000 -6.478) 8.122 17.512 ( 4.840 0.000 -0.142) 4.842 17.553 ( 3.358 0.000 -3.932) 5.171 17.979 ( 4.904 0.000 3.897) 6.264 18.024 ( 3.509 0.000 -0.488) 3.542 18.200 ( -0.869 0.000 5.439) 5.508 18.271 ( -4.492 0.000 -1.931) 4.889 18.825 ( 3.109 0.000 2.780) 4.170 18.885 ( 1.246 0.000 -2.087) 2.430 19.018 ( 1.793 0.000 3.014) 3.507 19.084 ( 2.141 0.000 -3.197) 3.848 19.159 ( -4.401 0.000 4.515) 6.305 19.297 ( -8.601 0.000 -8.060) 11.788 19.639 ( 1.507 0.000 0.400) 1.560 19.647 ( 1.222 0.000 -0.440) 1.299 20.501 ( 1.672 0.000 1.237) 2.080 20.564 ( 0.040 0.000 -4.516) 4.516 20.831 ( 0.786 0.000 1.955) 2.107 20.856 ( 0.440 0.000 -0.644) 0.779 21.047 ( 0.539 0.000 2.637) 2.692 21.114 ( -2.214 0.000 -3.913) 4.496 21.856 ( 0.535 0.000 3.356) 3.399 21.898 ( -1.188 0.000 -0.729) 1.394 22.186 ( -0.973 0.000 2.794) 2.958 22.254 ( -4.025 0.000 -3.671) 5.448 ======================= Grid point 159 (54/72) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -1.016 0.000 3.505) 3.649 2.088 ( 1.016 0.000 3.505) 3.649 2.376 ( -4.277 0.000 -3.256) 5.375 2.376 ( 4.277 0.000 -3.256) 5.375 2.591 ( -10.161 0.000 1.909) 10.339 2.591 ( 10.161 0.000 1.909) 10.339 2.682 ( -10.756 0.000 -5.114) 11.910 2.682 ( 10.756 0.000 -5.114) 11.910 2.891 ( -1.659 0.000 5.530) 5.774 2.891 ( 1.659 0.000 5.530) 5.774 2.979 ( -5.152 0.000 2.295) 5.640 2.979 ( 5.152 0.000 2.295) 5.640 3.095 ( -2.910 0.000 -1.274) 3.176 3.095 ( 2.910 0.000 -1.274) 3.176 3.220 ( -3.627 0.000 -5.876) 6.905 3.220 ( 3.627 0.000 -5.876) 6.905 3.647 ( -2.523 0.000 4.764) 5.390 3.647 ( 2.523 0.000 4.764) 5.390 3.831 ( -2.723 0.000 -7.342) 7.831 3.831 ( 2.723 0.000 -7.342) 7.831 4.425 ( -0.603 0.000 3.205) 3.262 4.425 ( 0.603 0.000 3.205) 3.262 4.599 ( -2.569 0.000 -1.091) 2.791 4.599 ( 2.569 0.000 -1.091) 2.791 4.802 ( -5.840 0.000 4.597) 7.433 4.802 ( 5.840 0.000 4.597) 7.433 5.258 ( -0.890 0.000 -0.248) 0.924 5.258 ( 0.890 0.000 -0.248) 0.924 5.293 ( -0.953 0.000 2.674) 2.839 5.293 ( 0.953 0.000 2.674) 2.839 5.568 ( -2.029 0.000 -2.971) 3.597 5.568 ( 2.029 0.000 -2.971) 3.597 5.740 ( -3.394 0.000 -0.925) 3.517 5.740 ( 3.394 0.000 -0.925) 3.517 6.153 ( -0.543 0.000 0.422) 0.687 6.153 ( 0.543 0.000 0.422) 0.687 6.296 ( -0.446 0.000 -1.124) 1.209 6.296 ( 0.446 0.000 -1.124) 1.209 6.496 ( -0.280 0.000 0.224) 0.358 6.496 ( 0.280 0.000 0.224) 0.358 7.458 ( -0.544 0.000 0.934) 1.082 7.458 ( 0.544 0.000 0.934) 1.082 7.755 ( -0.455 0.000 2.090) 2.139 7.755 ( 0.455 0.000 2.090) 2.139 7.959 ( -0.704 0.000 -0.521) 0.876 7.959 ( 0.704 0.000 -0.521) 0.876 8.072 ( -0.923 0.000 -0.540) 1.069 8.072 ( 0.923 0.000 -0.540) 1.069 8.506 ( -2.078 0.000 0.579) 2.157 8.506 ( 2.078 0.000 0.579) 2.157 9.019 ( -0.271 0.000 -0.165) 0.318 9.019 ( 0.271 0.000 -0.165) 0.318 9.537 ( -0.961 0.000 0.677) 1.176 9.537 ( 0.961 0.000 0.677) 1.176 9.650 ( -1.515 0.000 -2.319) 2.771 9.650 ( 1.515 0.000 -2.319) 2.771 10.456 ( -0.866 0.000 2.236) 2.398 10.456 ( 0.866 0.000 2.236) 2.398 10.601 ( -0.772 0.000 -3.165) 3.257 10.601 ( 0.772 0.000 -3.165) 3.257 11.340 ( -0.414 0.000 1.892) 1.937 11.340 ( 0.414 0.000 1.892) 1.937 11.747 ( -0.626 0.000 -2.047) 2.141 11.747 ( 0.626 0.000 -2.047) 2.141 12.602 ( -1.238 0.000 4.357) 4.529 12.602 ( 1.238 0.000 4.357) 4.529 12.715 ( -4.366 0.000 -2.510) 5.036 12.715 ( 4.366 0.000 -2.510) 5.036 13.132 ( -1.323 0.000 -0.424) 1.389 13.132 ( 1.323 0.000 -0.424) 1.389 14.141 ( -1.386 0.000 1.825) 2.292 14.141 ( 1.386 0.000 1.825) 2.292 14.424 ( -2.329 0.000 2.445) 3.377 14.424 ( 2.329 0.000 2.445) 3.377 14.507 ( -3.984 0.000 -1.653) 4.313 14.507 ( 3.984 0.000 -1.653) 4.313 15.085 ( -2.039 0.000 2.453) 3.190 15.085 ( 2.039 0.000 2.453) 3.190 15.356 ( -2.071 0.000 -5.113) 5.517 15.356 ( 2.071 0.000 -5.113) 5.517 16.617 ( -1.606 0.000 2.885) 3.302 16.617 ( 1.606 0.000 2.885) 3.302 16.895 ( -3.916 0.000 -2.379) 4.582 16.895 ( 3.916 0.000 -2.379) 4.582 17.574 ( -1.303 0.000 -2.006) 2.392 17.574 ( 1.303 0.000 -2.006) 2.392 18.051 ( -1.662 0.000 1.703) 2.379 18.051 ( 1.662 0.000 1.703) 2.379 18.199 ( -2.111 0.000 1.432) 2.551 18.199 ( 2.111 0.000 1.432) 2.551 18.876 ( -1.908 0.000 1.558) 2.463 18.876 ( 1.908 0.000 1.558) 2.463 19.072 ( -3.543 0.000 1.779) 3.965 19.072 ( 3.544 0.000 1.779) 3.965 19.162 ( -4.804 0.000 -4.238) 6.406 19.162 ( 4.804 0.000 -4.238) 6.406 19.657 ( -0.253 0.000 0.182) 0.312 19.657 ( 0.253 0.000 0.182) 0.312 20.536 ( -2.053 0.000 -2.470) 3.212 20.536 ( 2.053 0.000 -2.470) 3.212 20.854 ( -0.950 0.000 1.197) 1.528 20.854 ( 0.950 0.000 1.197) 1.528 21.071 ( -1.978 0.000 -0.612) 2.071 21.071 ( 1.978 0.000 -0.612) 2.071 21.875 ( -1.219 0.000 1.375) 1.837 21.875 ( 1.219 0.000 1.375) 1.837 22.195 ( -1.916 0.000 -0.645) 2.021 22.195 ( 1.916 0.000 -0.645) 2.021 ======================= Grid point 165 (55/72) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 0.000 13.830 21.750) 25.775 1.348 ( 0.000 12.781 24.767) 27.870 1.693 ( 0.000 9.366 -20.175) 22.243 1.837 ( 0.000 9.540 -19.647) 21.841 2.338 ( 0.000 10.199 34.525) 36.000 2.579 ( 0.000 -7.913 14.859) 16.834 2.590 ( 0.000 -6.218 8.132) 10.237 2.695 ( 0.000 -6.423 -2.553) 6.911 2.824 ( 0.000 -4.191 -9.388) 10.281 3.012 ( 0.000 1.216 2.663) 2.928 3.051 ( 0.000 -2.299 -1.915) 2.992 3.146 ( 0.000 0.551 2.165) 2.234 3.250 ( 0.000 2.334 -9.359) 9.645 3.282 ( 0.000 9.993 -23.118) 25.186 3.472 ( 0.000 1.811 2.949) 3.461 3.503 ( 0.000 -1.960 1.421) 2.420 3.551 ( 0.000 -0.620 1.494) 1.617 3.638 ( 0.000 -0.168 -5.016) 5.019 3.849 ( 0.000 -3.697 0.519) 3.733 3.916 ( 0.000 -0.097 -5.473) 5.474 4.025 ( 0.000 -2.792 6.178) 6.780 4.142 ( 0.000 -2.911 -4.433) 5.303 4.499 ( 0.000 -11.170 3.555) 11.722 4.628 ( 0.000 -10.940 -7.587) 13.313 4.866 ( 0.000 2.465 5.983) 6.470 4.930 ( 0.000 6.795 -1.816) 7.033 5.047 ( 0.000 0.682 -0.597) 0.906 5.149 ( 0.000 4.145 -6.795) 7.959 5.275 ( 0.000 7.795 7.130) 10.564 5.402 ( 0.000 8.652 -5.027) 10.006 5.568 ( 0.000 -0.319 0.578) 0.660 5.572 ( 0.000 1.953 -0.152) 1.959 5.677 ( 0.000 -1.297 4.614) 4.793 5.778 ( 0.000 -0.934 -4.475) 4.571 5.933 ( 0.000 -3.108 2.976) 4.304 5.977 ( 0.000 -0.093 -1.380) 1.383 6.187 ( 0.000 1.343 2.273) 2.640 6.231 ( 0.000 2.454 -1.549) 2.902 6.625 ( 0.000 -4.652 4.702) 6.614 6.685 ( 0.000 -5.155 -1.211) 5.295 7.374 ( 0.000 3.224 1.595) 3.597 7.415 ( 0.000 2.606 -2.295) 3.473 7.843 ( 0.000 -0.364 0.611) 0.711 7.852 ( 0.000 0.202 -0.636) 0.668 7.998 ( 0.000 -2.820 1.338) 3.122 8.030 ( 0.000 -4.142 -1.230) 4.321 8.316 ( 0.000 -2.191 4.034) 4.591 8.371 ( 0.000 -2.106 -1.180) 2.414 8.693 ( 0.000 -1.359 4.212) 4.426 8.808 ( 0.000 3.281 -6.513) 7.293 9.118 ( 0.000 -5.687 2.103) 6.063 9.158 ( 0.000 -4.149 -1.802) 4.523 9.615 ( 0.000 -0.009 3.034) 3.034 9.670 ( 0.000 -0.391 -1.911) 1.950 9.709 ( 0.000 0.214 3.289) 3.295 9.767 ( 0.000 -0.019 -1.891) 1.891 10.045 ( 0.000 -0.625 1.971) 2.067 10.112 ( 0.000 -0.139 -4.010) 4.012 10.179 ( 0.000 1.674 0.739) 1.830 10.221 ( 0.000 1.102 -2.969) 3.168 10.743 ( 0.000 7.731 1.949) 7.972 10.792 ( 0.000 6.313 -2.473) 6.780 11.343 ( 0.000 -4.658 4.041) 6.166 11.437 ( 0.000 -5.811 -4.889) 7.594 12.550 ( 0.000 -3.665 7.234) 8.109 12.655 ( 0.000 -4.874 -2.376) 5.422 12.728 ( 0.000 0.263 2.802) 2.814 12.785 ( 0.000 -0.056 -2.427) 2.428 13.395 ( 0.000 -6.718 8.331) 10.702 13.470 ( 0.000 -2.434 -0.329) 2.457 13.732 ( 0.000 2.136 -1.910) 2.865 13.807 ( 0.000 1.783 -7.619) 7.825 14.531 ( 0.000 4.602 4.556) 6.476 14.634 ( 0.000 9.885 -5.804) 11.463 14.968 ( 0.000 -3.390 6.646) 7.460 15.033 ( 0.000 -0.515 -1.608) 1.688 15.066 ( 0.000 2.287 4.536) 5.079 15.189 ( 0.000 -0.447 -5.372) 5.390 15.910 ( 0.000 -0.162 2.816) 2.820 15.977 ( 0.000 -1.381 -3.591) 3.847 16.307 ( 0.000 -0.687 1.504) 1.653 16.375 ( 0.000 1.469 -4.715) 4.938 16.900 ( 0.000 -9.527 2.516) 9.854 16.927 ( 0.000 -7.221 -0.200) 7.223 17.185 ( 0.000 3.651 3.062) 4.765 17.235 ( 0.000 1.620 -1.509) 2.214 17.747 ( 0.000 -7.649 1.711) 7.838 17.779 ( 0.000 -7.925 -1.646) 8.094 18.165 ( 0.000 4.360 6.226) 7.601 18.285 ( 0.000 3.678 -5.544) 6.653 18.598 ( 0.000 0.831 2.862) 2.980 18.657 ( 0.000 3.139 -2.647) 4.106 19.090 ( 0.000 2.604 0.690) 2.694 19.139 ( 0.000 7.849 -4.148) 8.878 19.214 ( 0.000 1.081 0.812) 1.352 19.227 ( 0.000 0.483 -0.399) 0.627 19.654 ( 0.000 5.608 1.218) 5.739 19.703 ( 0.000 11.647 -4.289) 12.411 20.300 ( 0.000 -2.129 4.751) 5.206 20.381 ( 0.000 -0.334 -3.013) 3.032 20.801 ( 0.000 4.527 9.322) 10.363 20.989 ( 0.000 1.682 -6.663) 6.872 21.121 ( 0.000 -1.175 -1.704) 2.070 21.144 ( 0.000 0.117 -3.539) 3.541 21.911 ( 0.000 -1.362 1.758) 2.224 21.941 ( 0.000 -1.727 -0.982) 1.986 22.516 ( 0.000 -4.879 2.745) 5.598 22.558 ( 0.000 -3.503 -1.434) 3.785 ======================= Grid point 166 (56/72) ======================= q-point: ( 0.10 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 9.247 10.611 20.317) 24.716 1.475 ( 10.860 10.750 19.732) 24.957 1.780 ( 8.199 7.290 -17.878) 20.976 1.927 ( 8.191 8.341 -17.781) 21.279 2.449 ( 9.497 3.254 24.742) 26.701 2.595 ( 2.523 -6.377 13.616) 15.245 2.645 ( 5.199 -5.770 9.733) 12.452 2.725 ( 3.523 -3.799 1.764) 5.473 2.831 ( 0.825 -3.556 -8.968) 9.683 2.987 ( -2.827 0.791 2.482) 3.844 3.028 ( -2.522 -0.551 -1.899) 3.205 3.130 ( -1.014 1.273 0.439) 1.686 3.243 ( -0.887 0.865 -4.671) 4.832 3.310 ( 2.092 6.230 -17.076) 18.297 3.455 ( -1.695 0.197 3.675) 4.052 3.494 ( -1.134 0.572 -1.231) 1.769 3.557 ( 1.844 1.333 -1.588) 2.775 3.615 ( -1.671 1.054 -5.240) 5.600 3.819 ( -3.052 -2.674 0.812) 4.138 3.896 ( -2.852 -0.373 -6.493) 7.101 3.994 ( -2.694 -1.335 4.947) 5.789 4.100 ( -3.427 -1.784 -4.900) 6.240 4.511 ( 1.012 -9.820 3.969) 10.640 4.638 ( 1.296 -10.422 -7.269) 12.773 4.806 ( -4.202 2.322 6.309) 7.928 4.930 ( -3.269 4.957 -6.121) 8.528 5.028 ( 0.012 1.590 4.222) 4.511 5.144 ( -0.497 3.455 -5.573) 6.575 5.290 ( 1.546 8.480 5.820) 10.401 5.387 ( -0.147 7.129 -2.976) 7.726 5.569 ( 1.007 0.430 1.952) 2.238 5.614 ( 1.561 1.901 -2.398) 3.435 5.747 ( 5.932 -1.166 2.968) 6.735 5.819 ( 3.989 -0.795 -3.164) 5.153 5.977 ( 4.498 -3.353 2.202) 6.027 6.013 ( 3.605 -0.754 -1.305) 3.907 6.201 ( 1.140 0.937 2.139) 2.599 6.243 ( 1.150 1.763 -1.616) 2.654 6.575 ( -5.069 -4.523 4.487) 8.142 6.637 ( -4.924 -5.902 -1.544) 7.840 7.371 ( 0.007 2.866 2.193) 3.609 7.424 ( 0.815 2.670 -2.837) 3.980 7.824 ( -2.062 -0.899 1.081) 2.496 7.840 ( -1.206 0.327 -0.891) 1.534 7.983 ( -0.945 -1.515 2.235) 2.861 8.022 ( -0.550 -2.136 -1.097) 2.463 8.319 ( 0.346 -3.369 4.912) 5.966 8.400 ( 2.099 -3.228 -2.771) 4.744 8.609 ( -7.026 0.272 4.098) 8.138 8.718 ( -7.454 3.775 -5.906) 10.232 9.109 ( -1.939 -6.924 2.964) 7.777 9.165 ( -1.180 -5.975 -2.319) 6.517 9.591 ( -0.613 0.438 3.741) 3.816 9.657 ( -0.219 2.198 -1.834) 2.871 9.719 ( -0.950 -0.032 0.650) 1.151 9.758 ( -0.507 1.078 -2.174) 2.479 10.098 ( 4.838 -1.366 1.854) 5.358 10.151 ( 3.541 -0.269 -2.008) 4.079 10.218 ( 4.640 2.215 0.581) 5.174 10.279 ( 5.225 0.314 -4.248) 6.741 10.834 ( 8.623 6.809 1.570) 11.098 10.871 ( 7.550 5.779 -1.826) 9.682 11.399 ( 5.324 -3.896 3.009) 7.251 11.479 ( 4.125 -5.038 -4.535) 7.935 12.547 ( -0.231 -3.237 6.701) 7.445 12.638 ( -1.389 -4.269 -1.206) 4.649 12.745 ( 1.405 0.000 2.427) 2.804 12.800 ( 1.068 -0.994 -2.272) 2.700 13.292 ( -7.902 1.428 12.415) 14.785 13.483 ( -2.294 -1.441 -5.648) 6.264 13.727 ( 0.581 -1.281 -0.509) 1.496 13.801 ( 0.951 -1.542 -6.612) 6.856 14.506 ( -2.633 4.164 3.636) 6.123 14.573 ( -5.170 8.041 -2.859) 9.978 14.825 ( -6.931 -1.140 5.679) 9.033 14.912 ( -7.511 -0.325 -2.848) 8.039 15.216 ( 4.964 -0.102 1.803) 5.283 15.247 ( 3.904 0.783 -1.197) 4.157 15.834 ( -8.204 0.413 4.894) 9.562 15.958 ( -3.670 -2.283 -6.976) 8.206 16.284 ( -0.096 0.648 1.653) 1.778 16.341 ( -1.069 2.133 -3.629) 4.344 16.928 ( 1.500 -8.633 3.886) 9.586 16.981 ( 3.775 -9.260 -1.237) 10.076 17.234 ( 3.807 4.139 0.832) 5.685 17.267 ( 4.052 3.767 -1.750) 5.803 17.767 ( 1.897 -6.288 2.406) 6.995 17.814 ( 2.979 -6.732 -2.244) 7.696 18.142 ( -1.118 4.660 7.093) 8.560 18.289 ( 0.888 2.651 -7.019) 7.555 18.637 ( 3.227 -0.072 2.730) 4.227 18.690 ( 2.822 2.444 -2.273) 4.371 19.048 ( -3.014 2.265 0.960) 3.891 19.075 ( -2.257 2.399 -1.664) 3.691 19.266 ( 2.601 -1.842 2.167) 3.854 19.325 ( 4.830 -3.096 -3.734) 6.845 19.680 ( 2.375 7.410 1.921) 8.015 19.752 ( 4.286 12.825 -5.958) 14.776 20.290 ( 0.175 -0.959 4.230) 4.341 20.374 ( -0.195 -0.068 -3.693) 3.699 20.812 ( 0.914 3.626 8.648) 9.422 20.991 ( -0.220 1.422 -7.066) 7.211 21.090 ( -2.354 -0.501 1.233) 2.704 21.156 ( 0.508 -0.443 -4.852) 4.898 21.906 ( -0.603 -1.366 1.765) 2.312 21.934 ( -0.669 -1.859 -0.724) 2.104 22.441 ( -6.116 -2.495 5.360) 8.506 22.530 ( -3.467 -3.339 -3.797) 6.131 ======================= Grid point 167 (57/72) ======================= q-point: ( 0.20 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 15.609 5.789 14.884) 22.332 1.711 ( 13.304 7.411 13.249) 20.186 1.966 ( 10.281 3.316 -12.115) 16.231 2.096 ( 8.377 6.102 -13.625) 17.119 2.542 ( 0.210 -6.798 11.645) 13.486 2.664 ( 1.230 -10.327 3.210) 10.884 2.743 ( 4.773 -6.903 -1.245) 8.484 2.833 ( 1.473 -3.749 -2.120) 4.552 2.896 ( -4.235 0.851 2.067) 4.789 2.927 ( 3.535 1.083 2.976) 4.746 2.974 ( 3.919 5.548 6.069) 9.109 3.110 ( -1.531 1.240 -0.132) 1.975 3.236 ( 0.957 2.679 -1.089) 3.047 3.307 ( -2.557 1.076 -1.875) 3.348 3.395 ( -3.595 -1.383 4.975) 6.291 3.481 ( -0.365 1.702 -0.416) 1.789 3.572 ( -0.707 2.477 -0.677) 2.664 3.670 ( 5.259 3.413 -7.080) 9.457 3.759 ( -1.585 -1.152 -1.787) 2.652 3.819 ( -2.830 -0.483 -7.087) 7.646 3.940 ( -2.423 0.100 3.500) 4.258 4.059 ( 0.921 3.138 -9.016) 9.591 4.520 ( -0.632 -4.271 5.480) 6.976 4.642 ( -2.851 -4.373 -4.218) 6.711 4.761 ( 0.464 -1.573 2.388) 2.897 4.843 ( -3.083 -0.152 -3.527) 4.687 5.027 ( -0.974 1.593 4.286) 4.675 5.130 ( -0.618 2.853 -4.935) 5.733 5.344 ( 3.646 9.398 3.743) 10.753 5.406 ( 1.770 6.526 -1.508) 6.928 5.580 ( -0.117 0.609 2.754) 2.823 5.628 ( 0.146 1.422 -2.400) 2.793 5.846 ( 3.442 -0.610 2.452) 4.270 5.896 ( 3.223 -0.614 -2.074) 3.882 6.097 ( 7.256 -4.191 0.798) 8.417 6.111 ( 6.143 -2.600 -0.791) 6.717 6.222 ( 1.148 0.068 2.396) 2.658 6.270 ( 1.662 0.538 -1.848) 2.543 6.445 ( -7.824 -4.354 3.363) 9.565 6.505 ( -8.408 -5.454 -2.179) 10.256 7.384 ( 1.406 2.364 2.814) 3.935 7.447 ( 1.539 2.788 -3.098) 4.443 7.774 ( -2.592 -0.637 2.351) 3.557 7.808 ( -1.920 0.136 -1.281) 2.312 7.975 ( -0.055 -0.344 2.734) 2.756 8.013 ( -0.622 -0.214 -0.727) 0.981 8.311 ( -2.211 -4.935 4.208) 6.852 8.394 ( -4.347 -5.372 -3.660) 7.820 8.489 ( -4.198 3.191 4.172) 6.724 8.591 ( -4.042 3.781 -5.089) 7.519 9.046 ( -3.845 -8.255 2.639) 9.481 9.098 ( -4.776 -7.121 -2.288) 8.874 9.596 ( 0.452 1.886 2.868) 3.462 9.646 ( -1.113 3.405 -0.979) 3.713 9.704 ( -0.435 1.548 -0.477) 1.677 9.740 ( -1.015 3.160 -2.850) 4.374 10.207 ( 6.136 -1.017 2.669) 6.768 10.246 ( 6.013 -0.012 0.334) 6.022 10.333 ( 6.575 0.154 -0.789) 6.624 10.394 ( 6.138 -1.275 -5.155) 8.117 11.033 ( 11.055 5.601 0.747) 12.416 11.046 ( 9.735 4.966 -0.335) 10.933 11.520 ( 6.586 -2.541 1.324) 7.182 11.576 ( 5.456 -3.467 -3.882) 7.540 12.545 ( 0.110 -2.368 5.577) 6.060 12.613 ( -1.029 -3.525 0.003) 3.673 12.772 ( 0.862 -0.555 2.449) 2.655 12.803 ( -0.784 -1.292 0.375) 1.557 13.158 ( -4.726 7.147 9.425) 12.738 13.354 ( -9.448 3.973 -8.424) 13.267 13.781 ( 4.698 -5.769 2.932) 7.997 13.871 ( 5.564 -6.570 -5.561) 10.250 14.441 ( -3.177 3.693 3.054) 5.749 14.490 ( -3.227 4.486 -1.773) 5.804 14.720 ( -4.667 0.511 3.490) 5.850 14.788 ( -5.208 -0.115 -3.078) 6.051 15.225 ( -2.441 1.377 5.293) 5.989 15.303 ( 0.731 0.368 -1.892) 2.062 15.628 ( -11.669 1.177 5.916) 13.136 15.806 ( -10.868 -2.209 -10.901) 15.551 16.341 ( 5.303 1.432 1.736) 5.761 16.386 ( 5.112 1.378 -2.501) 5.855 16.922 ( -1.899 -5.559 7.074) 9.195 17.035 ( 1.366 -7.869 -3.908) 8.891 17.323 ( 5.652 4.238 0.425) 7.077 17.367 ( 5.499 3.900 -3.831) 7.754 17.816 ( 3.108 -3.383 3.362) 5.693 17.868 ( 2.647 -3.719 -1.308) 4.748 18.153 ( 2.021 3.059 8.028) 8.826 18.322 ( 1.930 -0.198 -7.896) 8.131 18.703 ( 3.488 -1.055 2.074) 4.193 18.746 ( 2.854 0.110 -2.089) 3.538 19.009 ( -1.235 0.690 1.494) 2.058 19.044 ( -1.174 0.144 -1.603) 1.992 19.283 ( -0.975 -4.488 3.315) 5.664 19.361 ( -0.550 -8.110 -4.034) 9.074 19.712 ( 0.431 9.581 2.907) 10.021 19.808 ( 0.597 12.133 -7.105) 14.073 20.338 ( 4.472 -1.573 3.105) 5.667 20.406 ( 3.775 0.219 -3.624) 5.238 20.826 ( 0.338 2.078 6.118) 6.471 20.958 ( -3.373 1.090 -5.898) 6.881 21.057 ( -0.793 0.075 3.849) 3.930 21.156 ( -0.574 -0.938 -5.968) 6.069 21.885 ( -1.420 -0.954 2.755) 3.243 21.922 ( -0.392 -1.552 -0.829) 1.803 22.324 ( -5.554 -0.037 5.992) 8.170 22.438 ( -5.568 -1.996 -5.304) 7.944 ======================= Grid point 168 (58/72) ======================= q-point: ( 0.30 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 14.901 2.919 9.447) 17.883 1.975 ( 13.840 3.966 8.489) 16.714 2.144 ( 7.232 0.137 -6.669) 9.839 2.233 ( 5.750 3.691 -8.201) 10.674 2.513 ( -2.583 -3.456 5.718) 7.163 2.614 ( -5.378 -3.421 -3.238) 7.149 2.751 ( -4.612 -3.542 5.065) 7.711 2.814 ( 0.862 -5.078 0.855) 5.221 2.843 ( -3.871 -3.061 -5.139) 7.125 2.904 ( 2.112 -0.916 -4.364) 4.934 3.037 ( -3.343 0.072 2.015) 3.904 3.070 ( -2.272 2.145 -1.909) 3.662 3.224 ( -4.452 0.274 0.066) 4.461 3.251 ( -3.382 -0.716 -2.284) 4.143 3.353 ( -2.844 2.873 5.325) 6.686 3.446 ( -3.839 3.553 -2.981) 6.020 3.629 ( 2.375 0.357 5.587) 6.082 3.703 ( 1.397 1.201 0.213) 1.854 3.760 ( 3.991 -1.943 1.757) 4.774 3.844 ( 1.518 -0.590 -3.689) 4.032 3.966 ( 8.954 3.178 7.029) 11.818 4.206 ( 13.070 4.719 -13.478) 19.358 4.493 ( -0.907 1.540 3.118) 3.594 4.551 ( -4.842 2.115 -1.620) 5.526 4.755 ( -0.946 -0.994 3.557) 3.812 4.861 ( 1.965 -1.260 -5.559) 6.029 5.014 ( 1.109 -3.492 5.292) 6.437 5.126 ( 0.288 -0.563 -5.229) 5.267 5.400 ( 1.443 8.861 2.854) 9.420 5.441 ( 1.446 5.385 -0.254) 5.581 5.565 ( -1.104 1.038 3.398) 3.721 5.627 ( -0.257 1.381 -2.667) 3.015 5.869 ( -1.100 -0.240 3.264) 3.453 5.930 ( -0.110 -1.037 -2.161) 2.399 6.172 ( -0.302 -2.725 1.403) 3.080 6.200 ( 1.466 -4.061 -1.038) 4.440 6.262 ( -0.079 -1.646 1.552) 2.263 6.297 ( -1.355 -1.372 -0.596) 2.018 6.352 ( 2.565 -2.713 -0.819) 3.822 6.368 ( -1.381 -2.516 -1.214) 3.117 7.422 ( 2.373 2.214 2.902) 4.354 7.479 ( 1.578 3.040 -2.440) 4.206 7.739 ( -0.876 0.017 2.738) 2.875 7.775 ( -1.212 0.596 -1.010) 1.686 7.968 ( -0.954 -1.221 2.269) 2.748 7.988 ( -1.925 -0.341 0.365) 1.989 8.216 ( -6.640 -4.411 0.917) 8.024 8.258 ( -8.407 -3.037 -2.823) 9.374 8.454 ( 0.207 2.118 5.429) 5.831 8.562 ( -0.469 1.555 -4.765) 5.034 8.983 ( -2.464 -8.318 1.270) 8.768 9.015 ( -3.510 -7.129 -1.591) 8.104 9.601 ( 0.237 2.935 1.276) 3.209 9.622 ( -1.344 4.542 -0.034) 4.737 9.689 ( -1.044 3.495 -0.023) 3.648 9.727 ( -0.502 4.317 -3.039) 5.303 10.320 ( 5.342 -0.784 3.584) 6.481 10.360 ( 5.374 -0.395 0.784) 5.445 10.453 ( 5.565 -1.469 -1.857) 6.048 10.499 ( 4.553 -2.256 -4.868) 7.036 11.215 ( 7.570 4.286 1.247) 8.788 11.225 ( 8.193 4.348 0.303) 9.280 11.633 ( 4.835 -1.868 0.113) 5.185 11.671 ( 4.017 -2.352 -3.377) 5.751 12.555 ( 0.942 -1.439 4.180) 4.520 12.601 ( -0.201 -2.304 0.813) 2.452 12.733 ( -3.514 -0.175 6.019) 6.972 12.817 ( 0.972 -1.055 -1.455) 2.043 13.126 ( 0.741 6.405 1.151) 6.550 13.191 ( -5.763 6.129 -4.655) 9.615 13.884 ( 5.410 -7.641 4.639) 10.448 13.973 ( 4.220 -8.745 -3.667) 10.380 14.408 ( -0.133 3.198 1.831) 3.688 14.445 ( -1.330 3.583 -1.491) 4.103 14.639 ( -3.846 1.234 2.965) 5.010 14.702 ( -4.025 0.228 -2.998) 5.024 15.153 ( -4.172 2.306 7.244) 8.672 15.267 ( -4.385 1.372 -2.761) 5.360 15.438 ( -7.168 0.177 4.019) 8.220 15.595 ( -10.227 -1.617 -10.749) 14.925 16.456 ( 6.141 0.973 2.199) 6.595 16.504 ( 6.432 0.994 -2.194) 6.868 16.876 ( -2.428 -2.553 8.081) 8.815 17.027 ( -2.122 -4.408 -6.403) 8.058 17.435 ( 5.533 3.521 -0.329) 6.566 17.470 ( 5.101 1.520 -3.559) 6.403 17.884 ( 3.952 -1.614 3.570) 5.565 17.926 ( 3.303 -3.268 -0.076) 4.648 18.197 ( 2.099 2.222 7.020) 7.656 18.331 ( -1.364 -0.532 -5.429) 5.623 18.766 ( 3.002 -1.458 1.593) 3.698 18.807 ( 3.859 -3.292 -1.843) 5.396 18.996 ( -0.168 0.426 1.534) 1.601 19.032 ( -0.103 -0.889 -1.403) 1.664 19.229 ( -4.362 -2.740 3.317) 6.126 19.316 ( -4.106 -8.461 -4.711) 10.518 19.716 ( 0.590 9.515 2.492) 9.853 19.792 ( -1.264 11.909 -5.316) 13.102 20.421 ( 3.241 -3.500 3.371) 5.841 20.490 ( 3.822 -2.055 -3.566) 5.616 20.830 ( 0.409 1.043 2.692) 2.916 20.889 ( -2.942 1.524 -2.613) 4.220 21.047 ( -0.444 -0.002 2.997) 3.029 21.133 ( -1.801 -1.796 -5.329) 5.905 21.866 ( -0.248 0.519 3.832) 3.875 21.918 ( -0.111 -0.225 -1.231) 1.256 22.233 ( -3.879 0.364 4.487) 5.943 22.332 ( -5.266 -1.293 -5.002) 7.378 ======================= Grid point 169 (59/72) ======================= q-point: ( 0.40 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 4.934 2.630 5.841) 8.085 2.166 ( -1.496 1.917 1.653) 2.940 2.230 ( 8.671 -0.096 3.931) 9.521 2.343 ( 6.369 -0.613 -6.796) 9.334 2.483 ( 0.873 0.908 -1.266) 1.786 2.539 ( -0.435 0.014 -5.626) 5.643 2.704 ( -2.479 -5.824 4.842) 7.970 2.773 ( -2.511 -5.051 -0.684) 5.683 2.836 ( 0.647 -0.895 1.849) 2.154 2.895 ( -2.248 1.047 -3.118) 3.984 2.969 ( -2.380 0.488 3.312) 4.107 3.045 ( -0.957 1.359 -3.425) 3.807 3.132 ( -4.294 -0.203 -0.372) 4.315 3.174 ( -2.147 0.680 -3.136) 3.861 3.270 ( -4.777 5.278 3.889) 8.111 3.374 ( -3.960 4.959 -4.892) 8.013 3.617 ( -0.459 -1.650 4.728) 5.028 3.695 ( -1.206 -0.694 0.440) 1.460 3.801 ( -0.743 -0.338 -2.309) 2.449 3.852 ( -0.812 -2.186 -4.005) 4.635 4.279 ( 16.284 0.416 7.781) 18.052 4.411 ( 5.623 2.759 -2.657) 6.804 4.509 ( 3.185 3.493 2.004) 5.135 4.551 ( 4.680 0.273 -3.654) 5.944 4.736 ( -0.033 0.448 6.489) 6.504 4.860 ( -0.931 2.820 -3.143) 4.324 5.082 ( 4.438 -7.852 1.125) 9.090 5.142 ( 0.915 -5.809 -3.630) 6.911 5.393 ( -1.550 5.610 4.140) 7.142 5.438 ( -2.243 6.002 0.883) 6.468 5.549 ( -0.218 0.461 1.087) 1.201 5.616 ( -1.134 1.872 -3.837) 4.417 5.815 ( -3.344 2.886 2.656) 5.154 5.872 ( -5.408 0.133 -2.308) 5.882 6.154 ( -0.124 0.246 1.197) 1.228 6.178 ( -1.424 0.150 -1.052) 1.777 6.246 ( 0.208 -3.695 -0.215) 3.707 6.265 ( -0.804 -2.832 -1.867) 3.486 6.434 ( 3.961 -2.784 0.490) 4.866 6.440 ( 3.635 -2.361 -0.020) 4.334 7.464 ( 1.706 2.598 2.285) 3.857 7.496 ( 0.067 3.375 -0.739) 3.456 7.745 ( 1.424 0.779 2.262) 2.784 7.768 ( 0.378 1.295 0.213) 1.366 7.935 ( -1.800 -2.620 1.544) 3.534 7.953 ( -1.668 -2.278 0.268) 2.836 8.095 ( -5.333 -3.286 -0.497) 6.284 8.112 ( -6.098 -2.711 -1.651) 6.874 8.477 ( 1.849 1.424 3.662) 4.342 8.547 ( -1.199 1.066 -2.954) 3.361 8.950 ( -1.014 -7.472 0.373) 7.549 8.965 ( -1.746 -6.937 -0.998) 7.222 9.600 ( -0.720 5.794 0.735) 5.884 9.605 ( -0.052 4.024 0.062) 4.025 9.675 ( -0.015 4.473 0.261) 4.481 9.714 ( -0.949 3.960 -3.183) 5.169 10.407 ( 3.587 -0.741 3.662) 5.179 10.438 ( 2.487 -0.609 1.715) 3.082 10.538 ( 3.239 -2.110 -3.069) 4.936 10.563 ( 2.036 -2.528 -4.377) 5.449 11.326 ( 3.935 3.401 1.951) 5.555 11.338 ( 3.569 3.393 0.859) 4.999 11.701 ( 2.396 -1.844 -0.888) 3.151 11.723 ( 1.410 -2.001 -2.821) 3.735 12.577 ( 1.236 -0.607 3.618) 3.871 12.612 ( 1.237 -0.629 1.456) 2.011 12.675 ( -1.877 0.158 4.520) 4.897 12.789 ( -3.912 -1.677 -4.744) 6.373 13.146 ( 2.246 6.324 0.964) 6.780 13.178 ( 2.010 6.124 -2.084) 6.774 13.970 ( 3.308 -9.865 3.618) 11.016 14.020 ( 0.765 -10.394 -0.994) 10.469 14.427 ( 1.792 3.281 1.556) 4.049 14.450 ( 2.122 3.497 -0.343) 4.105 14.566 ( -3.851 2.524 2.293) 5.144 14.623 ( -4.499 1.223 -2.719) 5.397 15.096 ( -1.239 2.469 5.559) 6.208 15.169 ( -4.613 2.241 -0.412) 5.145 15.351 ( -2.446 -1.031 -0.469) 2.695 15.430 ( -6.696 -1.355 -8.335) 10.777 16.562 ( 4.684 0.889 3.140) 5.709 16.608 ( 3.759 1.026 -0.517) 3.930 16.846 ( -0.179 -1.339 4.660) 4.852 16.964 ( -4.119 -2.250 -6.045) 7.654 17.526 ( 3.802 1.928 -0.616) 4.308 17.553 ( 3.085 0.307 -2.994) 4.310 17.958 ( 3.214 -3.294 2.822) 5.398 17.982 ( 2.066 -4.566 0.625) 5.050 18.227 ( 1.119 3.851 3.567) 5.368 18.286 ( -2.531 2.110 -2.152) 3.936 18.827 ( 3.397 -1.791 3.002) 4.874 18.879 ( 2.713 -3.118 -0.752) 4.201 19.001 ( 0.764 -0.378 0.990) 1.307 19.034 ( 0.400 -3.415 -1.030) 3.589 19.141 ( -4.032 -0.500 1.370) 4.287 19.213 ( -6.086 -5.366 -4.710) 9.382 19.739 ( 1.578 9.064 1.526) 9.326 19.777 ( -0.400 10.818 -2.230) 11.052 20.459 ( 1.228 -4.554 1.796) 5.047 20.521 ( -0.695 -4.560 -3.952) 6.074 20.845 ( 1.110 1.286 1.286) 2.130 20.866 ( 0.259 1.341 -0.834) 1.600 21.039 ( -0.182 -0.866 1.823) 2.026 21.091 ( -2.392 -2.386 -3.205) 4.657 21.877 ( 1.240 2.159 3.229) 4.077 21.916 ( -0.237 1.741 -0.419) 1.806 22.178 ( -1.604 -0.708 2.281) 2.877 22.240 ( -4.175 -1.423 -3.498) 5.629 ======================= Grid point 170 (60/72) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -0.932 3.125 3.571) 4.836 2.119 ( 0.932 3.125 3.571) 4.836 2.365 ( -4.455 -1.017 -3.333) 5.656 2.365 ( 4.455 -1.017 -3.333) 5.656 2.578 ( -7.794 -1.265 0.963) 7.954 2.578 ( 7.794 -1.265 0.963) 7.954 2.655 ( -8.506 -2.483 -4.025) 9.733 2.655 ( 8.506 -2.483 -4.025) 9.733 2.875 ( -2.133 -0.923 4.256) 4.849 2.875 ( 2.133 -0.923 4.256) 4.849 2.979 ( -4.201 -1.333 -1.200) 4.568 2.979 ( 4.201 -1.333 -1.200) 4.568 3.127 ( -3.446 4.500 3.213) 6.516 3.127 ( 3.446 4.500 3.213) 6.516 3.276 ( -5.367 4.636 -5.631) 9.055 3.276 ( 5.367 4.636 -5.631) 9.055 3.648 ( -3.149 -0.053 4.967) 5.881 3.648 ( 3.149 -0.053 4.967) 5.881 3.812 ( -2.286 -2.195 -6.922) 7.613 3.812 ( 2.286 -2.195 -6.922) 7.613 4.446 ( -2.410 2.133 3.063) 4.443 4.446 ( 2.410 2.133 3.063) 4.443 4.580 ( -1.466 -1.083 -1.165) 2.163 4.580 ( 1.466 -1.083 -1.165) 2.163 4.814 ( -5.712 0.668 4.887) 7.547 4.814 ( 5.712 0.668 4.887) 7.547 5.139 ( -1.327 -7.676 -1.425) 7.919 5.139 ( 1.327 -7.676 -1.425) 7.919 5.385 ( -1.702 5.389 2.898) 6.351 5.385 ( 1.702 5.389 2.898) 6.351 5.573 ( -2.672 0.377 -3.655) 4.543 5.573 ( 2.672 0.377 -3.655) 4.543 5.792 ( -1.608 5.113 -0.183) 5.363 5.792 ( 1.608 5.113 -0.183) 5.363 6.164 ( -0.641 1.240 0.529) 1.493 6.164 ( 0.641 1.240 0.529) 1.493 6.254 ( -0.488 -4.231 -1.347) 4.467 6.254 ( 0.488 -4.231 -1.347) 4.467 6.474 ( -0.123 -2.492 0.374) 2.523 6.474 ( 0.123 -2.492 0.374) 2.523 7.487 ( -0.829 3.202 1.033) 3.465 7.487 ( 0.829 3.202 1.033) 3.465 7.771 ( -0.621 1.674 2.064) 2.729 7.771 ( 0.621 1.674 2.064) 2.729 7.926 ( -0.828 -3.666 -0.524) 3.794 7.926 ( 0.828 -3.666 -0.524) 3.794 8.043 ( -0.575 -2.848 -0.532) 2.953 8.043 ( 0.575 -2.848 -0.532) 2.953 8.516 ( -1.999 1.259 0.333) 2.386 8.516 ( 1.999 1.259 0.333) 2.386 8.945 ( -0.417 -6.916 -0.371) 6.939 8.945 ( 0.417 -6.916 -0.371) 6.939 9.598 ( -0.423 5.642 0.762) 5.709 9.598 ( 0.423 5.642 0.762) 5.709 9.691 ( -1.312 3.922 -1.907) 4.554 9.691 ( 1.312 3.922 -1.907) 4.554 10.452 ( -0.934 -0.695 2.973) 3.193 10.452 ( 0.934 -0.695 2.973) 3.193 10.576 ( -0.684 -2.400 -3.959) 4.680 10.576 ( 0.684 -2.400 -3.959) 4.680 11.367 ( -0.404 3.002 1.677) 3.463 11.367 ( 0.404 3.002 1.678) 3.463 11.729 ( -0.600 -1.940 -1.943) 2.810 11.729 ( 0.600 -1.940 -1.943) 2.810 12.605 ( -1.594 0.222 4.510) 4.788 12.605 ( 1.594 0.222 4.510) 4.788 12.703 ( -4.096 -0.952 -2.700) 4.997 12.703 ( 4.096 -0.952 -2.700) 4.997 13.191 ( -1.198 6.036 -0.298) 6.161 13.191 ( 1.198 6.036 -0.298) 6.161 14.013 ( -1.292 -11.291 1.325) 11.441 14.013 ( 1.292 -11.291 1.325) 11.441 14.476 ( -2.640 3.395 3.111) 5.308 14.476 ( 2.640 3.395 3.111) 5.308 14.535 ( -3.674 2.880 -2.285) 5.198 14.535 ( 3.674 2.880 -2.285) 5.198 15.106 ( -2.005 2.196 2.602) 3.951 15.106 ( 2.005 2.196 2.602) 3.951 15.345 ( -2.038 -1.252 -4.813) 5.374 15.345 ( 2.038 -1.252 -4.813) 5.374 16.627 ( -1.681 1.074 3.057) 3.650 16.627 ( 1.681 1.074 3.057) 3.650 16.883 ( -3.752 -1.408 -2.492) 4.719 16.883 ( 3.752 -1.408 -2.492) 4.719 17.574 ( -0.921 0.535 -1.591) 1.915 17.574 ( 0.921 0.535 -1.591) 1.915 17.995 ( -0.653 -5.487 1.320) 5.681 17.995 ( 0.653 -5.487 1.320) 5.681 18.249 ( -1.395 4.972 0.721) 5.214 18.249 ( 1.395 4.972 0.721) 5.214 18.884 ( -2.011 -1.488 2.314) 3.407 18.884 ( 2.011 -1.488 2.314) 3.407 19.031 ( -1.782 -3.927 0.474) 4.338 19.031 ( 1.782 -3.927 0.474) 4.338 19.117 ( -2.705 -1.379 -3.096) 4.336 19.117 ( 2.705 -1.379 -3.096) 4.336 19.766 ( -1.003 9.649 0.103) 9.701 19.766 ( 1.003 9.649 0.103) 9.701 20.488 ( -1.953 -5.044 -1.778) 5.694 20.488 ( 1.953 -5.044 -1.778) 5.694 20.866 ( -0.676 1.314 0.572) 1.584 20.866 ( 0.676 1.314 0.572) 1.584 21.051 ( -1.512 -2.065 -0.591) 2.627 21.051 ( 1.512 -2.065 -0.591) 2.627 21.903 ( -1.143 2.842 1.525) 3.422 21.903 ( 1.143 2.842 1.525) 3.422 22.180 ( -1.795 -1.581 -0.840) 2.535 22.180 ( 1.795 -1.581 -0.840) 2.535 ======================= Grid point 176 (61/72) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 18.056 16.386) 24.382 1.658 ( 0.000 19.103 19.848) 27.547 1.898 ( 0.000 10.133 -14.815) 17.949 2.067 ( 0.000 14.298 -17.235) 22.394 2.308 ( 0.000 -11.908 16.221) 20.123 2.366 ( 0.000 -11.510 8.285) 14.182 2.523 ( 0.000 -8.895 -7.155) 11.416 2.628 ( 0.000 -8.991 -8.994) 12.717 2.784 ( 0.000 10.361 18.941) 21.590 2.995 ( 0.000 -3.157 -1.634) 3.555 3.097 ( 0.000 9.301 9.072) 12.993 3.179 ( 0.000 2.941 4.530) 5.401 3.291 ( 0.000 3.592 -4.844) 6.031 3.378 ( 0.000 -4.458 4.423) 6.280 3.469 ( 0.000 -1.074 -0.550) 1.206 3.532 ( 0.000 1.136 0.791) 1.384 3.579 ( 0.000 -4.284 -6.151) 7.496 3.617 ( 0.000 12.006 -21.982) 25.047 3.829 ( 0.000 -11.903 5.345) 13.048 3.857 ( 0.000 4.428 -1.279) 4.609 3.996 ( 0.000 -1.604 0.515) 1.685 4.073 ( 0.000 -2.130 -1.723) 2.740 4.309 ( 0.000 -7.666 0.060) 7.666 4.403 ( 0.000 -12.393 -10.605) 16.311 4.901 ( 0.000 2.082 9.948) 10.164 5.010 ( 0.000 -0.349 5.260) 5.271 5.087 ( 0.000 4.292 -8.113) 9.178 5.188 ( 0.000 0.366 -9.822) 9.828 5.429 ( 0.000 7.333 6.120) 9.552 5.520 ( 0.000 0.968 -1.903) 2.135 5.573 ( 0.000 4.578 2.251) 5.102 5.653 ( 0.000 3.058 2.141) 3.733 5.691 ( 0.000 4.607 -2.744) 5.363 5.740 ( 0.000 -2.637 -6.867) 7.356 5.855 ( 0.000 -4.712 5.246) 7.052 5.949 ( 0.000 -3.146 -3.786) 4.923 6.239 ( 0.000 4.087 4.827) 6.325 6.293 ( 0.000 3.863 -0.068) 3.864 6.516 ( 0.000 -6.227 4.052) 7.429 6.569 ( 0.000 -6.779 -0.700) 6.815 7.444 ( 0.000 3.527 1.153) 3.711 7.466 ( 0.000 2.455 -0.917) 2.620 7.825 ( 0.000 -0.977 1.775) 2.026 7.856 ( 0.000 -0.325 -1.507) 1.542 7.952 ( 0.000 -1.266 1.213) 1.753 7.977 ( 0.000 -1.379 -1.549) 2.074 8.266 ( 0.000 -2.556 2.750) 3.754 8.309 ( 0.000 -4.176 -1.541) 4.452 8.715 ( 0.000 3.864 6.939) 7.942 8.870 ( 0.000 3.563 -7.852) 8.622 8.982 ( 0.000 -8.204 3.198) 8.805 9.060 ( 0.000 -5.914 -4.204) 7.257 9.636 ( 0.000 2.082 2.038) 2.913 9.678 ( 0.000 1.405 -1.690) 2.198 9.707 ( 0.000 -0.646 3.077) 3.144 9.753 ( 0.000 -1.474 -1.197) 1.899 10.048 ( 0.000 0.692 1.098) 1.298 10.093 ( 0.000 -1.439 -2.986) 3.315 10.211 ( 0.000 1.586 0.245) 1.604 10.237 ( 0.000 0.430 -1.931) 1.979 10.905 ( 0.000 8.784 0.646) 8.808 10.935 ( 0.000 8.435 -1.905) 8.647 11.230 ( 0.000 -6.853 2.873) 7.431 11.299 ( 0.000 -8.397 -3.723) 9.185 12.495 ( 0.000 -1.613 6.824) 7.012 12.560 ( 0.000 -4.570 1.355) 4.766 12.741 ( 0.000 0.921 1.644) 1.885 12.778 ( 0.000 -0.719 -1.288) 1.475 13.323 ( 0.000 -1.026 8.131) 8.196 13.409 ( 0.000 -3.802 -0.390) 3.822 13.774 ( 0.000 2.264 -3.629) 4.278 13.823 ( 0.000 0.065 -7.861) 7.861 14.638 ( 0.000 6.443 8.519) 10.681 14.800 ( 0.000 6.322 -5.957) 8.687 14.887 ( 0.000 -4.048 7.149) 8.216 15.005 ( 0.000 -2.698 -3.422) 4.358 15.121 ( 0.000 3.180 1.933) 3.722 15.185 ( 0.000 -0.199 -3.736) 3.741 15.910 ( 0.000 0.250 0.472) 0.534 15.946 ( 0.000 -1.637 -3.061) 3.471 16.329 ( 0.000 3.146 3.145) 4.449 16.408 ( 0.000 2.085 -3.959) 4.475 16.705 ( 0.000 -9.543 3.685) 10.230 16.766 ( 0.000 -9.302 -2.067) 9.529 17.260 ( 0.000 3.769 0.956) 3.888 17.277 ( 0.000 2.468 -0.514) 2.521 17.646 ( 0.000 -3.545 0.806) 3.635 17.663 ( 0.000 -4.461 -0.951) 4.561 18.225 ( 0.000 2.674 5.458) 6.078 18.306 ( 0.000 -0.948 -2.407) 2.587 18.631 ( 0.000 2.409 1.438) 2.805 18.692 ( 0.000 0.293 -4.285) 4.295 19.134 ( 0.000 1.914 2.961) 3.526 19.187 ( 0.000 -0.720 -1.338) 1.520 19.245 ( 0.000 1.824 0.054) 1.825 19.258 ( 0.000 1.595 -1.032) 1.900 19.813 ( 0.000 10.868 5.514) 12.187 19.963 ( 0.000 13.420 -8.623) 15.951 20.220 ( 0.000 -5.947 5.553) 8.137 20.349 ( 0.000 -3.882 -5.926) 7.084 20.907 ( 0.000 6.216 5.649) 8.399 21.035 ( 0.000 2.616 -3.710) 4.539 21.091 ( 0.000 -1.893 -2.045) 2.787 21.138 ( 0.000 -0.934 -4.711) 4.802 21.884 ( 0.000 -1.308 1.768) 2.199 21.901 ( 0.000 -2.191 0.362) 2.221 22.439 ( 0.000 -2.679 2.845) 3.908 22.482 ( 0.000 -4.039 -1.382) 4.268 ======================= Grid point 177 (62/72) ======================= q-point: ( 0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 5.373 17.988 15.937) 24.625 1.731 ( 6.992 15.879 17.195) 24.427 1.961 ( 5.511 10.852 -13.388) 18.094 2.121 ( 4.910 10.814 -14.966) 19.105 2.324 ( 1.779 -11.842 13.605) 18.125 2.384 ( 2.151 -12.799 8.868) 15.719 2.520 ( 0.507 -10.372 -6.768) 12.395 2.652 ( 2.284 -10.798 -11.188) 15.716 2.865 ( 6.365 7.818 13.555) 16.893 2.985 ( -1.411 -1.823 0.111) 2.308 3.086 ( -0.662 8.575 8.122) 11.829 3.179 ( -0.123 4.848 3.777) 6.147 3.280 ( -0.653 2.630 -3.240) 4.224 3.346 ( -2.274 -2.226 3.025) 4.390 3.459 ( -1.482 0.611 0.816) 1.799 3.511 ( -1.279 0.578 -0.044) 1.404 3.570 ( -0.057 -3.058 -4.850) 5.734 3.675 ( 3.641 8.527 -13.161) 16.099 3.833 ( -0.826 -0.308 -0.483) 1.005 3.858 ( 0.625 -2.228 -0.436) 2.355 3.957 ( -3.427 -1.698 2.204) 4.414 4.066 ( 0.123 -0.829 -4.406) 4.485 4.326 ( 2.342 -8.687 0.797) 9.032 4.432 ( 3.090 -10.765 -10.055) 15.051 4.854 ( -4.209 3.176 8.980) 10.414 5.003 ( -4.995 -1.568 -0.282) 5.243 5.053 ( 0.444 4.457 -1.916) 4.872 5.173 ( -1.307 -0.254 -7.186) 7.308 5.455 ( 2.502 8.034 4.108) 9.364 5.520 ( 1.134 4.966 -1.812) 5.406 5.594 ( 1.667 3.630 3.137) 5.079 5.671 ( 0.646 2.182 -0.478) 2.325 5.750 ( 5.013 2.754 -1.477) 5.908 5.786 ( 4.324 -2.008 -4.018) 6.235 5.892 ( 3.985 -5.509 3.968) 7.873 5.975 ( 2.551 -3.586 -3.526) 5.639 6.240 ( -0.092 3.320 4.170) 5.331 6.291 ( -0.388 3.121 -0.385) 3.168 6.468 ( -4.791 -6.348 3.201) 8.573 6.509 ( -5.631 -6.983 -0.439) 8.982 7.436 ( -0.299 3.622 2.173) 4.234 7.476 ( 0.838 2.342 -1.575) 2.944 7.799 ( -2.311 -1.306 1.667) 3.135 7.833 ( -1.909 -1.251 -1.816) 2.917 7.967 ( 1.105 0.163 1.614) 1.962 7.996 ( 1.499 -0.576 -1.354) 2.101 8.255 ( -1.002 -2.876 3.320) 4.506 8.314 ( 0.010 -5.182 -2.350) 5.690 8.662 ( -4.543 5.171 5.985) 9.122 8.793 ( -6.570 4.465 -6.340) 10.164 8.957 ( -3.032 -8.770 3.391) 9.879 9.032 ( -3.372 -7.590 -3.646) 9.070 9.620 ( 0.179 2.469 4.121) 4.808 9.698 ( 1.815 1.384 -0.821) 2.425 9.717 ( -0.115 0.186 -0.175) 0.280 9.769 ( 1.232 0.009 -2.735) 2.999 10.088 ( 4.171 0.246 0.976) 4.290 10.134 ( 3.972 -1.467 -3.068) 5.229 10.247 ( 3.580 1.155 0.948) 3.879 10.282 ( 3.829 -0.267 -2.129) 4.390 10.984 ( 7.645 8.470 0.516) 11.422 11.005 ( 6.874 8.052 -1.275) 10.663 11.302 ( 6.732 -6.128 1.784) 9.276 11.357 ( 5.578 -7.616 -3.415) 10.039 12.497 ( 0.256 -1.545 6.587) 6.771 12.554 ( -0.470 -4.078 1.993) 4.563 12.749 ( 0.667 0.332 1.190) 1.404 12.779 ( -0.001 -1.176 -1.047) 1.575 13.331 ( 0.456 2.662 8.770) 9.176 13.444 ( 2.887 -2.688 -1.225) 4.130 13.722 ( -4.724 0.520 -3.536) 5.924 13.767 ( -4.668 -1.737 -7.321) 8.855 14.598 ( -3.907 5.275 6.816) 9.463 14.706 ( -9.681 4.350 -1.110) 10.671 14.799 ( -2.936 -0.579 2.549) 3.931 14.894 ( -7.071 -1.729 -4.295) 8.452 15.228 ( 5.066 1.275 2.345) 5.726 15.258 ( 4.218 0.296 -0.580) 4.268 15.844 ( -7.075 0.751 1.095) 7.199 15.908 ( -4.861 -2.719 -5.161) 7.594 16.325 ( 0.828 3.622 2.641) 4.559 16.386 ( -0.844 2.483 -3.002) 3.986 16.754 ( 3.954 -8.497 3.199) 9.903 16.805 ( 3.645 -9.099 -1.754) 9.958 17.306 ( 3.922 3.561 1.245) 5.442 17.333 ( 5.402 2.874 -1.148) 6.226 17.670 ( 2.413 -3.646 1.372) 4.582 17.706 ( 3.962 -4.686 -2.171) 6.509 18.223 ( 0.052 3.957 5.044) 6.411 18.311 ( 0.614 -0.271 -3.344) 3.411 18.647 ( 1.224 1.197 2.116) 2.722 18.708 ( 1.162 -0.674 -3.640) 3.880 19.084 ( -3.677 2.063 2.317) 4.811 19.126 ( -4.091 1.863 -1.526) 4.747 19.233 ( -1.068 -1.189 1.997) 2.558 19.275 ( -0.369 -2.271 -2.047) 3.079 19.856 ( 3.483 10.576 5.394) 12.372 19.991 ( 2.075 11.126 -6.966) 13.290 20.237 ( 1.881 -4.212 4.024) 6.121 20.349 ( 0.428 -3.307 -5.737) 6.636 20.904 ( -0.394 5.731 5.457) 7.923 21.033 ( -0.403 2.736 -5.000) 5.714 21.069 ( -1.945 -1.720 0.362) 2.622 21.138 ( -0.189 -1.607 -5.069) 5.321 21.878 ( -0.526 -1.356 1.789) 2.305 21.893 ( -0.631 -2.164 0.695) 2.359 22.403 ( -3.250 -1.095 3.213) 4.699 22.460 ( -2.376 -3.661 -2.447) 5.004 ======================= Grid point 178 (63/72) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 9.574 12.679 13.269) 20.700 1.898 ( 9.799 12.018 10.861) 18.932 2.064 ( 4.737 6.602 -7.080) 10.777 2.224 ( 5.264 5.177 -10.380) 12.738 2.365 ( 2.375 -11.428 9.896) 15.303 2.452 ( 4.065 -9.858 4.699) 11.653 2.570 ( 5.041 -10.371 -5.593) 12.816 2.705 ( 2.671 -8.964 -10.545) 14.096 2.913 ( -2.932 1.001 1.697) 3.532 2.939 ( -2.786 0.009 0.330) 2.805 3.084 ( -0.333 4.197 5.966) 7.302 3.161 ( -1.902 4.199 -0.586) 4.647 3.258 ( -2.363 -1.965 0.805) 3.177 3.314 ( -2.838 -0.221 -0.942) 2.998 3.427 ( -0.129 5.418 4.354) 6.952 3.507 ( 0.205 0.897 -2.057) 2.253 3.595 ( 3.734 0.945 3.542) 5.233 3.716 ( 0.231 1.949 -0.350) 1.994 3.787 ( -3.761 2.404 -0.891) 4.552 3.826 ( -2.330 -1.053 -2.316) 3.450 3.952 ( 2.883 3.548 2.999) 5.468 4.123 ( 6.862 3.045 -11.355) 13.613 4.401 ( 4.933 -6.932 2.860) 8.976 4.520 ( 5.352 -7.612 -7.892) 12.201 4.770 ( -3.567 3.079 6.352) 7.909 4.883 ( -5.738 1.488 -3.462) 6.864 5.051 ( -1.803 1.342 2.670) 3.491 5.144 ( -1.663 -1.404 -4.984) 5.439 5.513 ( 2.632 7.898 3.044) 8.864 5.545 ( 0.594 6.500 0.608) 6.555 5.617 ( 0.174 3.549 2.351) 4.261 5.676 ( 0.560 3.110 -3.036) 4.381 5.842 ( 3.646 0.707 0.694) 3.778 5.871 ( 3.796 -1.343 -1.650) 4.351 6.003 ( 6.909 -5.700 1.372) 9.061 6.043 ( 4.480 -4.760 -2.003) 6.836 6.229 ( -1.165 0.853 3.158) 3.472 6.277 ( -0.751 0.511 -0.826) 1.228 6.351 ( -6.438 -5.051 1.911) 8.403 6.389 ( -5.843 -5.951 -1.118) 8.414 7.444 ( 1.264 3.770 3.238) 5.128 7.500 ( 1.705 2.313 -1.866) 3.426 7.753 ( -2.126 -1.297 1.825) 3.087 7.796 ( -1.743 -1.697 -2.278) 3.333 7.978 ( -0.206 0.980 2.406) 2.606 8.017 ( 0.361 0.545 -1.467) 1.606 8.218 ( -3.329 -4.010 3.406) 6.227 8.286 ( -3.390 -5.729 -2.854) 7.243 8.574 ( -4.113 5.887 4.530) 8.491 8.671 ( -5.037 4.954 -4.427) 8.337 8.878 ( -4.394 -9.087 3.128) 10.567 8.944 ( -4.997 -8.674 -3.060) 10.468 9.644 ( 1.570 3.042 3.932) 5.213 9.706 ( -0.223 1.709 0.625) 1.833 9.739 ( 1.581 2.559 -1.583) 3.399 9.789 ( 0.959 1.568 -3.832) 4.250 10.193 ( 6.071 -0.328 1.364) 6.231 10.230 ( 5.651 -1.482 -1.274) 5.979 10.332 ( 4.860 -0.170 -0.376) 4.877 10.365 ( 4.591 -1.704 -2.727) 5.605 11.164 ( 9.944 7.635 0.198) 12.538 11.168 ( 9.178 7.646 0.038) 11.945 11.451 ( 7.808 -4.764 0.192) 9.148 11.486 ( 7.077 -5.985 -3.062) 9.761 12.507 ( 0.862 -1.247 5.867) 6.060 12.548 ( 0.066 -3.080 2.976) 4.283 12.757 ( -0.270 -0.629 0.680) 0.965 12.778 ( 0.274 -1.327 -0.664) 1.509 13.315 ( -2.215 9.216 6.556) 11.525 13.445 ( -4.905 5.366 -4.839) 8.733 13.659 ( 0.848 -6.903 0.952) 7.020 13.728 ( 1.545 -8.156 -5.061) 9.722 14.513 ( -4.039 3.645 3.888) 6.687 14.561 ( -4.980 2.240 -0.310) 5.469 14.736 ( -3.785 1.262 0.931) 4.097 14.782 ( -4.729 -0.642 -3.053) 5.665 15.259 ( -1.228 2.108 5.101) 5.655 15.307 ( 0.627 -0.100 0.999) 1.183 15.657 ( -11.303 1.860 0.615) 11.472 15.754 ( -10.301 -3.109 -8.293) 13.584 16.380 ( 4.477 2.644 1.951) 5.554 16.418 ( 4.112 1.672 -1.491) 4.683 16.816 ( 2.095 -4.762 4.317) 6.761 16.885 ( 3.929 -7.546 -2.310) 8.816 17.397 ( 5.352 3.933 1.443) 6.797 17.445 ( 5.536 3.591 -2.895) 7.206 17.729 ( 3.415 -4.486 2.334) 6.102 17.789 ( 4.069 -4.903 -3.094) 7.083 18.239 ( 1.826 5.579 4.541) 7.422 18.332 ( 1.445 1.074 -4.274) 4.638 18.662 ( 0.315 -2.560 2.613) 3.672 18.715 ( -0.632 -3.572 -2.456) 4.381 19.033 ( -1.291 2.271 2.258) 3.453 19.074 ( -1.276 2.479 -1.601) 3.215 19.206 ( -1.409 -3.615 1.853) 4.299 19.245 ( -2.262 -4.543 -1.914) 5.424 19.903 ( 0.959 10.175 4.735) 11.263 20.013 ( -0.002 8.980 -5.407) 10.483 20.287 ( 2.918 -3.408 3.416) 5.639 20.379 ( 2.451 -3.509 -5.244) 6.769 20.890 ( -1.045 4.658 4.496) 6.558 20.994 ( -3.486 2.403 -4.761) 6.372 21.047 ( -0.399 -1.188 2.020) 2.377 21.123 ( -1.522 -2.700 -5.083) 5.953 21.868 ( -0.185 -0.641 2.554) 2.640 21.890 ( 0.514 -1.667 0.484) 1.811 22.329 ( -4.214 0.719 2.785) 5.102 22.393 ( -4.364 -2.501 -3.414) 6.079 ======================= Grid point 179 (64/72) ======================= q-point: ( 0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 11.296 5.408 8.334) 15.044 2.084 ( 8.986 6.636 2.876) 11.535 2.153 ( 4.615 0.281 0.987) 4.728 2.288 ( 1.040 0.288 -4.389) 4.519 2.439 ( 4.956 -3.241 4.745) 7.588 2.513 ( 2.852 -5.514 1.245) 6.331 2.667 ( -0.129 -5.073 -3.506) 6.168 2.704 ( -1.118 -4.374 -4.384) 6.293 2.841 ( -3.121 1.267 -1.065) 3.533 2.898 ( 0.679 -0.649 -4.169) 4.274 3.048 ( -3.014 1.742 2.901) 4.532 3.111 ( -2.734 2.474 -3.057) 4.789 3.202 ( -3.319 -2.798 0.672) 4.393 3.224 ( -5.125 -1.823 -1.443) 5.628 3.408 ( -2.481 2.133 1.696) 3.686 3.486 ( -2.338 -0.196 -4.391) 4.978 3.627 ( -2.187 1.313 4.910) 5.533 3.702 ( -1.193 0.901 -1.147) 1.884 3.771 ( 2.008 0.195 2.907) 3.538 3.822 ( 0.486 -2.098 -0.522) 2.216 4.079 ( 11.631 8.878 8.321) 16.833 4.308 ( 10.687 4.248 -10.732) 15.730 4.490 ( 3.838 -1.455 4.827) 6.336 4.584 ( 0.831 0.542 -1.869) 2.116 4.746 ( -0.033 -0.118 1.429) 1.434 4.829 ( 1.715 -0.467 -5.381) 5.667 4.994 ( -3.485 0.447 4.410) 5.638 5.099 ( -3.107 -2.712 -4.981) 6.467 5.528 ( -1.549 4.658 2.973) 5.739 5.539 ( -0.309 4.298 1.893) 4.707 5.599 ( -1.706 2.109 2.143) 3.457 5.678 ( -1.178 2.520 -4.445) 5.244 5.888 ( 1.405 3.347 1.494) 3.926 5.915 ( 0.833 0.913 -0.747) 1.444 6.103 ( 2.592 -4.951 0.753) 5.639 6.124 ( 2.540 -4.383 -1.398) 5.255 6.213 ( -0.229 -2.540 2.056) 3.276 6.254 ( -2.063 -2.995 -1.170) 3.820 6.292 ( 1.517 -2.545 1.050) 3.144 6.324 ( 0.458 -2.366 -1.499) 2.838 7.483 ( 2.658 4.070 3.586) 6.041 7.542 ( 2.504 3.087 -1.760) 4.347 7.725 ( -0.632 -1.384 2.087) 2.583 7.772 ( -0.605 -1.530 -2.299) 2.827 7.953 ( -2.485 0.395 3.049) 3.953 7.997 ( -2.659 1.305 -1.260) 3.219 8.121 ( -6.175 -4.910 2.362) 8.235 8.181 ( -7.089 -4.832 -3.015) 9.094 8.522 ( -1.018 5.126 4.474) 6.880 8.611 ( -1.719 3.705 -3.831) 5.600 8.815 ( -1.954 -8.962 1.973) 9.382 8.863 ( -3.104 -8.279 -2.519) 9.194 9.668 ( 1.072 3.860 2.317) 4.628 9.707 ( 0.280 3.428 -0.538) 3.481 9.758 ( 0.360 3.741 0.414) 3.781 9.802 ( 0.172 2.881 -3.034) 4.188 10.302 ( 5.016 -0.886 2.973) 5.898 10.335 ( 4.943 -2.011 0.808) 5.398 10.425 ( 4.582 -1.314 -2.590) 5.425 10.449 ( 4.006 -2.643 -3.819) 6.134 11.323 ( 6.686 6.834 1.260) 9.643 11.335 ( 7.088 6.892 0.076) 9.886 11.578 ( 5.153 -4.029 -0.539) 6.563 11.604 ( 4.796 -4.739 -2.981) 7.372 12.532 ( 1.741 -0.693 4.756) 5.112 12.560 ( 1.244 -1.875 3.209) 3.919 12.732 ( -2.090 0.286 1.778) 2.759 12.786 ( -0.167 -2.066 -2.370) 3.148 13.280 ( -0.663 9.384 1.691) 9.559 13.333 ( -4.001 8.406 -3.313) 9.882 13.720 ( 3.573 -9.205 3.495) 10.474 13.784 ( 2.695 -10.781 -2.605) 11.414 14.468 ( -0.574 2.922 2.141) 3.667 14.501 ( -1.427 1.882 -0.852) 2.511 14.665 ( -3.240 1.510 1.033) 3.721 14.703 ( -3.557 -0.253 -2.416) 4.307 15.207 ( -3.436 3.223 7.064) 8.491 15.285 ( -2.744 0.029 1.706) 3.231 15.452 ( -9.080 1.613 -1.263) 9.308 15.553 ( -9.826 -2.776 -9.216) 13.754 16.481 ( 5.702 1.661 2.568) 6.470 16.521 ( 5.998 0.503 -0.861) 6.081 16.833 ( -0.170 -1.278 4.974) 5.138 16.930 ( 0.431 -5.383 -3.984) 6.711 17.501 ( 5.158 3.542 0.201) 6.260 17.535 ( 3.834 5.031 -3.049) 7.022 17.792 ( 2.923 -6.486 3.043) 7.738 17.853 ( 2.590 -5.183 -2.469) 6.298 18.287 ( 2.895 6.726 3.368) 8.060 18.355 ( 0.776 3.581 -3.044) 4.763 18.672 ( 1.020 -7.533 2.054) 7.874 18.704 ( 0.362 -7.365 -1.302) 7.488 19.025 ( -0.001 3.105 2.262) 3.841 19.062 ( -0.335 3.212 -1.269) 3.470 19.181 ( -1.452 -3.062 0.193) 3.394 19.197 ( -2.815 -4.290 -1.315) 5.297 19.908 ( 0.292 10.405 3.828) 11.090 20.000 ( -0.946 9.624 -4.920) 10.850 20.332 ( 1.353 -5.413 3.963) 6.844 20.417 ( 0.831 -5.785 -4.289) 7.250 20.872 ( -0.524 3.410 2.606) 4.324 20.930 ( -2.624 2.405 -2.698) 4.467 21.036 ( -0.882 -1.259 0.879) 1.771 21.082 ( -2.494 -3.417 -3.572) 5.537 21.881 ( 1.644 1.052 3.080) 3.647 21.912 ( 1.744 -0.413 0.151) 1.799 22.245 ( -4.484 0.910 1.880) 4.947 22.301 ( -5.085 -1.860 -3.438) 6.414 ======================= Grid point 180 (65/72) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 5.828 2.618 4.386) 7.750 2.206 ( 1.302 1.281 1.189) 2.179 2.234 ( 5.274 1.281 3.343) 6.375 2.324 ( 4.641 -1.600 -4.078) 6.381 2.503 ( 2.525 1.202 -0.457) 2.834 2.553 ( -2.689 1.523 -4.169) 5.189 2.598 ( 0.312 -4.706 3.192) 5.695 2.674 ( -2.585 -4.900 -3.627) 6.621 2.842 ( 1.073 1.334 1.718) 2.425 2.907 ( -0.705 -0.355 -3.580) 3.666 2.977 ( -4.720 0.769 3.054) 5.674 3.041 ( -5.896 -1.685 -3.016) 6.833 3.148 ( 1.364 2.872 2.352) 3.955 3.210 ( 3.914 2.065 -3.108) 5.408 3.360 ( -2.731 2.688 2.068) 4.354 3.432 ( -3.035 0.258 -3.499) 4.639 3.594 ( -0.161 0.768 4.398) 4.467 3.679 ( -0.756 0.179 -1.907) 2.059 3.773 ( -2.359 -2.999 -0.307) 3.828 3.803 ( -2.330 -2.849 -2.057) 4.217 4.330 ( 11.852 4.788 7.536) 14.839 4.475 ( 5.628 2.304 -3.964) 7.259 4.553 ( 2.766 1.751 2.929) 4.393 4.591 ( 0.323 3.083 0.188) 3.106 4.747 ( 1.370 1.226 4.254) 4.634 4.888 ( -0.071 -0.698 -5.800) 5.842 4.952 ( 1.219 -4.913 2.480) 5.637 5.039 ( -2.611 -5.044 -4.150) 7.034 5.486 ( -1.774 4.499 3.902) 6.214 5.530 ( -1.874 3.410 0.513) 3.925 5.557 ( -1.144 0.547 1.365) 1.863 5.634 ( -3.056 -0.747 -4.304) 5.331 5.899 ( 0.043 5.798 0.712) 5.842 5.914 ( -0.594 4.855 -0.555) 4.923 6.131 ( 0.963 -5.305 0.183) 5.395 6.148 ( 0.588 -3.832 -1.505) 4.159 6.206 ( -0.006 1.482 0.481) 1.559 6.222 ( -1.126 0.109 -1.107) 1.583 6.361 ( 3.833 -4.712 1.267) 6.205 6.376 ( 2.936 -4.504 -0.147) 5.379 7.536 ( 2.544 4.938 2.995) 6.311 7.579 ( 0.878 5.207 -1.079) 5.390 7.739 ( 2.360 -2.247 2.256) 3.964 7.780 ( 1.548 -1.336 -1.482) 2.525 7.886 ( -4.159 -1.038 2.874) 5.161 7.922 ( -4.519 0.078 -0.597) 4.559 8.014 ( -4.347 -4.908 0.693) 6.592 8.046 ( -6.042 -4.121 -1.963) 7.573 8.530 ( 1.460 4.325 2.808) 5.360 8.587 ( -1.029 3.330 -2.554) 4.321 8.796 ( -0.260 -8.341 0.618) 8.368 8.822 ( -1.501 -7.775 -1.734) 8.106 9.691 ( 1.294 4.663 1.249) 4.998 9.713 ( 0.300 5.254 -0.610) 5.298 9.758 ( -0.078 3.882 0.871) 3.980 9.792 ( -1.118 3.447 -2.216) 4.248 10.382 ( 3.307 -1.546 4.082) 5.477 10.408 ( 2.389 -2.365 2.848) 4.406 10.497 ( 2.752 -1.968 -4.575) 5.690 10.510 ( 2.124 -2.702 -4.672) 5.800 11.417 ( 3.193 6.066 1.646) 7.050 11.429 ( 2.789 5.981 0.596) 6.626 11.648 ( 2.304 -3.929 -1.053) 4.675 11.665 ( 1.592 -4.252 -2.571) 5.217 12.570 ( 2.139 0.014 4.097) 4.622 12.596 ( 2.296 -0.982 2.820) 3.766 12.687 ( -2.196 1.139 1.287) 2.789 12.754 ( -3.131 -2.040 -3.527) 5.139 13.296 ( 2.372 9.234 0.939) 9.579 13.324 ( 1.773 8.986 -1.802) 9.335 13.764 ( 1.019 -11.386 2.713) 11.749 13.802 ( -0.705 -12.121 -0.953) 12.179 14.484 ( 1.988 2.590 1.868) 3.761 14.504 ( 1.570 1.981 0.300) 2.546 14.612 ( -2.528 2.078 0.310) 3.287 14.642 ( -3.068 0.546 -2.143) 3.782 15.154 ( -1.541 3.439 5.829) 6.941 15.214 ( -3.955 1.906 1.777) 4.736 15.330 ( -3.564 -0.718 -2.387) 4.349 15.394 ( -6.457 -2.427 -7.518) 10.203 16.586 ( 4.951 1.642 3.598) 6.337 16.628 ( 4.448 0.633 0.685) 4.544 16.820 ( -0.664 -0.808 2.342) 2.565 16.903 ( -2.865 -3.916 -4.596) 6.684 17.582 ( 2.957 3.211 -0.748) 4.429 17.595 ( 2.403 5.377 -2.135) 6.264 17.837 ( 1.799 -7.906 2.520) 8.491 17.882 ( 0.293 -6.641 -1.804) 6.888 18.340 ( 2.404 7.755 1.685) 8.292 18.367 ( 0.636 6.686 -0.924) 6.779 18.704 ( 2.309 -9.881 2.301) 10.405 18.734 ( 1.862 -10.371 -0.400) 10.544 19.027 ( 0.242 2.914 1.513) 3.292 19.054 ( -0.472 3.283 -1.143) 3.509 19.131 ( -3.159 -1.161 -0.275) 3.377 19.149 ( -2.340 -1.794 -1.596) 3.352 19.928 ( 1.732 10.605 2.481) 11.028 19.985 ( -0.663 10.847 -2.964) 11.264 20.340 ( 0.038 -7.742 2.621) 8.174 20.402 ( -2.151 -7.963 -3.257) 8.869 20.878 ( 1.105 2.348 0.993) 2.778 20.903 ( -0.313 2.222 -1.416) 2.653 21.014 ( -1.215 -1.779 0.170) 2.161 21.034 ( -2.350 -3.384 -1.793) 4.493 21.926 ( 2.732 2.706 2.910) 4.823 21.952 ( 2.099 1.723 0.611) 2.783 22.165 ( -3.454 -0.520 0.706) 3.564 22.205 ( -4.678 -2.150 -2.928) 5.923 ======================= Grid point 181 (66/72) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -1.293 3.905 4.054) 5.776 2.190 ( 1.293 3.905 4.054) 5.776 2.345 ( -4.292 -0.927 -3.536) 5.638 2.345 ( 4.292 -0.927 -3.536) 5.638 2.553 ( -2.841 -1.022 -0.862) 3.140 2.553 ( 2.841 -1.022 -0.862) 3.140 2.603 ( -5.227 -2.969 -2.366) 6.460 2.603 ( 5.227 -2.969 -2.366) 6.460 2.872 ( -3.093 0.713 2.085) 3.798 2.872 ( 3.093 0.713 2.085) 3.798 2.941 ( -3.174 -2.169 -1.036) 3.982 2.941 ( 3.174 -2.169 -1.036) 3.982 3.235 ( -5.132 6.064 4.143) 8.960 3.235 ( 5.132 6.064 4.143) 8.960 3.354 ( -4.774 3.031 -3.831) 6.831 3.354 ( 4.774 3.031 -3.831) 6.831 3.642 ( -4.100 -0.265 3.666) 5.506 3.642 ( 4.100 -0.265 3.666) 5.506 3.750 ( -2.116 -4.268 -5.260) 7.097 3.750 ( 2.116 -4.268 -5.260) 7.097 4.491 ( -4.654 2.314 4.305) 6.749 4.491 ( 4.654 2.314 4.305) 6.749 4.583 ( -1.315 1.247 -1.297) 2.229 4.583 ( 1.315 1.247 -1.297) 2.229 4.822 ( -5.083 0.752 3.730) 6.349 4.822 ( 5.083 0.752 3.730) 6.349 4.999 ( -2.041 -7.048 -3.406) 8.090 4.999 ( 2.041 -7.048 -3.406) 8.090 5.482 ( -1.567 4.880 2.517) 5.710 5.482 ( 1.567 4.880 2.517) 5.710 5.576 ( -2.412 -0.236 -2.581) 3.540 5.576 ( 2.412 -0.236 -2.581) 3.540 5.903 ( -0.427 6.239 -0.255) 6.258 5.903 ( 0.427 6.239 -0.255) 6.258 6.146 ( -0.628 -6.198 -1.137) 6.333 6.146 ( 0.628 -6.198 -1.137) 6.333 6.211 ( -0.383 3.316 0.175) 3.343 6.211 ( 0.383 3.316 0.176) 3.343 6.403 ( -0.369 -5.017 0.669) 5.074 6.403 ( 0.369 -5.017 0.669) 5.074 7.573 ( -1.266 5.849 1.132) 6.090 7.573 ( 1.266 5.849 1.132) 6.090 7.801 ( -3.060 -1.097 2.546) 4.129 7.801 ( 3.060 -1.097 2.546) 4.129 7.841 ( -3.175 -2.366 -1.114) 4.114 7.841 ( 3.175 -2.366 -1.114) 4.114 7.975 ( -0.843 -4.240 -0.459) 4.347 7.975 ( 0.843 -4.240 -0.459) 4.347 8.563 ( -1.649 3.913 0.017) 4.247 8.563 ( 1.649 3.913 0.017) 4.247 8.800 ( -0.703 -7.890 -0.702) 7.952 8.800 ( 0.703 -7.890 -0.702) 7.952 9.711 ( -0.646 5.806 0.597) 5.872 9.711 ( 0.646 5.806 0.597) 5.872 9.767 ( -1.146 3.369 -0.916) 3.675 9.767 ( 1.146 3.369 -0.916) 3.675 10.423 ( -0.785 -2.123 4.100) 4.683 10.423 ( 0.785 -2.123 4.100) 4.683 10.527 ( -0.365 -2.413 -5.214) 5.756 10.527 ( 0.365 -2.413 -5.214) 5.756 11.451 ( -0.363 5.652 1.290) 5.808 11.451 ( 0.363 5.652 1.290) 5.808 11.673 ( -0.493 -4.061 -1.795) 4.467 11.673 ( 0.493 -4.061 -1.795) 4.467 12.610 ( -1.594 0.310 4.480) 4.765 12.610 ( 1.594 0.310 4.480) 4.765 12.688 ( -2.879 -0.625 -2.614) 3.938 12.688 ( 2.879 -0.625 -2.614) 3.938 13.340 ( -1.016 9.613 -0.107) 9.667 13.340 ( 1.016 9.613 -0.107) 9.667 13.779 ( -1.087 -13.144 0.627) 13.204 13.779 ( 1.087 -13.144 0.627) 13.204 14.527 ( -1.260 2.112 2.848) 3.763 14.527 ( 1.260 2.112 2.848) 3.763 14.587 ( -1.635 2.045 -2.224) 3.435 14.587 ( 1.635 2.045 -2.224) 3.435 15.157 ( -1.749 2.905 2.996) 4.525 15.157 ( 1.749 2.905 2.996) 4.525 15.313 ( -1.777 -1.997 -4.423) 5.168 15.313 ( 1.777 -1.997 -4.423) 5.168 16.657 ( -1.759 2.038 4.017) 4.836 16.657 ( 1.759 2.038 4.017) 4.836 16.840 ( -2.960 -3.003 -3.186) 5.285 16.840 ( 2.960 -3.003 -3.186) 5.285 17.615 ( -0.473 4.140 -1.125) 4.316 17.615 ( 0.473 4.140 -1.125) 4.316 17.868 ( -1.464 -7.737 -0.008) 7.874 17.868 ( 1.464 -7.737 -0.008) 7.874 18.371 ( -0.618 7.962 0.534) 8.004 18.371 ( 0.618 7.962 0.534) 8.004 18.743 ( -1.127 -10.916 1.440) 11.068 18.743 ( 1.127 -10.916 1.440) 11.068 19.039 ( -1.111 3.007 -0.153) 3.209 19.039 ( 1.111 3.007 -0.153) 3.209 19.108 ( -1.256 -0.352 -1.120) 1.720 19.108 ( 1.256 -0.352 -1.120) 1.720 19.964 ( -1.660 11.153 0.153) 11.277 19.964 ( 1.660 11.153 0.153) 11.277 20.356 ( -1.916 -8.820 -0.776) 9.059 20.356 ( 1.916 -8.820 -0.776) 9.059 20.899 ( -0.626 2.131 -0.056) 2.222 20.899 ( 0.626 2.131 -0.056) 2.222 21.003 ( -0.507 -2.821 -0.731) 2.958 21.003 ( 0.507 -2.821 -0.731) 2.958 21.969 ( -0.994 3.829 2.232) 4.542 21.969 ( 0.994 3.829 2.232) 4.542 22.139 ( -1.429 -2.659 -1.636) 3.434 22.139 ( 1.429 -2.659 -1.636) 3.434 ======================= Grid point 187 (67/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 0.000 -12.874 8.997) 15.707 1.870 ( 0.000 12.874 8.997) 15.707 2.018 ( 0.000 -17.347 15.790) 23.457 2.018 ( 0.000 17.347 15.790) 23.457 2.305 ( 0.000 -5.801 -10.454) 11.955 2.305 ( 0.000 5.801 -10.454) 11.955 2.397 ( 0.000 -8.920 -10.462) 13.748 2.397 ( 0.000 8.920 -10.462) 13.748 2.930 ( 0.000 -4.380 1.931) 4.787 2.930 ( 0.000 4.380 1.931) 4.787 3.252 ( 0.000 -4.369 7.373) 8.570 3.252 ( 0.000 4.369 7.373) 8.570 3.351 ( 0.000 -6.905 0.831) 6.955 3.351 ( 0.000 6.905 0.831) 6.955 3.463 ( 0.000 -9.941 6.142) 11.685 3.463 ( 0.000 9.941 6.142) 11.685 3.578 ( 0.000 -6.155 3.931) 7.303 3.578 ( 0.000 6.155 3.931) 7.303 3.840 ( 0.000 -8.711 -8.990) 12.518 3.840 ( 0.000 8.711 -8.990) 12.518 4.032 ( 0.000 -6.130 -9.530) 11.331 4.032 ( 0.000 6.130 -9.530) 11.331 4.241 ( 0.000 -1.975 -3.155) 3.722 4.241 ( 0.000 1.975 -3.155) 3.722 4.956 ( 0.000 -3.695 8.688) 9.441 4.956 ( 0.000 3.695 8.688) 9.441 5.165 ( 0.000 -2.997 -10.026) 10.465 5.165 ( 0.000 2.997 -10.026) 10.465 5.510 ( 0.000 -1.632 2.130) 2.683 5.510 ( 0.000 1.632 2.130) 2.683 5.672 ( 0.000 -4.167 -0.489) 4.196 5.672 ( 0.000 4.167 -0.489) 4.196 5.711 ( 0.000 -3.935 1.597) 4.246 5.711 ( 0.000 3.935 1.597) 4.246 5.861 ( 0.000 -5.676 -3.386) 6.609 5.861 ( 0.000 5.676 -3.386) 6.609 6.320 ( 0.000 -3.077 4.677) 5.599 6.320 ( 0.000 3.077 4.677) 5.599 6.463 ( 0.000 -2.914 -0.097) 2.916 6.463 ( 0.000 2.914 -0.097) 2.916 7.486 ( 0.000 -0.730 0.420) 0.842 7.486 ( 0.000 0.730 0.420) 0.842 7.832 ( 0.000 -1.643 -0.238) 1.660 7.832 ( 0.000 1.643 -0.238) 1.660 7.957 ( 0.000 -1.104 0.027) 1.104 7.957 ( 0.000 1.104 0.027) 1.104 8.249 ( 0.000 -1.342 0.403) 1.401 8.249 ( 0.000 1.342 0.403) 1.401 8.826 ( 0.000 -7.542 5.240) 9.184 8.826 ( 0.000 7.542 5.240) 9.184 8.955 ( 0.000 -5.048 -6.545) 8.266 8.955 ( 0.000 5.048 -6.545) 8.266 9.679 ( 0.000 -2.076 2.335) 3.124 9.679 ( 0.000 2.076 2.335) 3.124 9.717 ( 0.000 -2.173 -1.085) 2.429 9.717 ( 0.000 2.173 -1.085) 2.429 10.067 ( 0.000 -1.269 -0.949) 1.585 10.067 ( 0.000 1.269 -0.949) 1.585 10.234 ( 0.000 -0.741 -0.789) 1.082 10.234 ( 0.000 0.741 -0.789) 1.082 11.038 ( 0.000 -2.839 0.183) 2.845 11.038 ( 0.000 2.839 0.183) 2.845 11.155 ( 0.000 -4.155 -1.302) 4.354 11.155 ( 0.000 4.155 -1.302) 4.354 12.498 ( 0.000 -1.890 4.544) 4.921 12.498 ( 0.000 1.890 4.544) 4.921 12.760 ( 0.000 -1.090 0.472) 1.188 12.760 ( 0.000 1.090 0.472) 1.188 13.344 ( 0.000 -2.798 2.763) 3.932 13.344 ( 0.000 2.798 2.763) 3.932 13.810 ( 0.000 -1.456 -5.681) 5.865 13.810 ( 0.000 1.456 -5.681) 5.865 14.758 ( 0.000 -6.142 9.207) 11.068 14.758 ( 0.000 6.142 9.207) 11.068 14.935 ( 0.000 -4.754 -5.610) 7.354 14.935 ( 0.000 4.754 -5.610) 7.354 15.169 ( 0.000 -1.727 -0.823) 1.913 15.169 ( 0.000 1.727 -0.823) 1.913 15.922 ( 0.000 -0.972 -1.736) 1.990 15.922 ( 0.000 0.972 -1.736) 1.990 16.406 ( 0.000 -3.650 1.673) 4.015 16.406 ( 0.000 3.650 1.673) 4.015 16.630 ( 0.000 -3.264 -1.272) 3.503 16.630 ( 0.000 3.264 -1.272) 3.503 17.303 ( 0.000 -0.338 0.133) 0.363 17.303 ( 0.000 0.338 0.133) 0.363 17.615 ( 0.000 -0.433 -0.049) 0.436 17.615 ( 0.000 0.433 -0.049) 0.436 18.272 ( 0.000 -2.380 2.041) 3.135 18.272 ( 0.000 2.380 2.041) 3.135 18.674 ( 0.000 -1.929 -2.077) 2.835 18.674 ( 0.000 1.929 -2.077) 2.835 19.165 ( 0.000 -1.464 1.188) 1.885 19.165 ( 0.000 1.464 1.188) 1.885 19.267 ( 0.000 -0.448 -0.447) 0.633 19.267 ( 0.000 0.448 -0.447) 0.633 20.014 ( 0.000 -9.139 7.372) 11.741 20.014 ( 0.000 9.139 7.372) 11.741 20.229 ( 0.000 -8.210 -8.601) 11.891 20.229 ( 0.000 8.210 -8.601) 11.891 21.011 ( 0.000 -4.525 3.377) 5.646 21.011 ( 0.000 4.525 3.377) 5.646 21.106 ( 0.000 -2.413 -6.145) 6.602 21.106 ( 0.000 2.413 -6.145) 6.602 21.874 ( 0.000 -0.476 1.436) 1.512 21.874 ( 0.000 0.476 1.436) 1.512 22.427 ( 0.000 -1.412 0.422) 1.474 22.427 ( 0.000 1.412 0.422) 1.474 ======================= Grid point 189 (68/72) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 6.024 -13.462 9.789) 17.702 1.939 ( 6.024 13.462 9.789) 17.702 2.044 ( 2.444 -13.582 15.046) 20.416 2.044 ( 2.444 13.582 15.046) 20.416 2.290 ( -1.024 -10.581 -9.309) 14.131 2.290 ( -1.024 10.581 -9.309) 14.131 2.424 ( 3.676 -11.789 -12.314) 17.439 2.424 ( 3.676 11.789 -12.314) 17.439 2.946 ( 0.785 -2.435 1.376) 2.905 2.946 ( 0.785 2.435 1.376) 2.905 3.213 ( -2.956 -4.956 6.556) 8.734 3.213 ( -2.956 4.956 6.556) 8.734 3.331 ( -1.788 -4.540 -2.008) 5.276 3.331 ( -1.788 4.540 -2.008) 5.276 3.509 ( 1.437 -3.007 0.101) 3.334 3.509 ( 1.437 3.007 0.101) 3.334 3.595 ( 3.445 -11.896 11.447) 16.864 3.595 ( 3.445 11.896 11.447) 16.864 3.847 ( -0.283 -5.669 -5.564) 7.948 3.847 ( -0.283 5.669 -5.564) 7.948 4.017 ( -0.430 -6.281 -7.327) 9.660 4.017 ( -0.430 6.281 -7.327) 9.660 4.274 ( 3.770 -4.503 -6.102) 8.469 4.274 ( 3.770 4.503 -6.102) 8.469 4.928 ( -3.225 -4.654 6.572) 8.674 4.928 ( -3.225 4.654 6.572) 8.674 5.138 ( -2.045 -3.457 -7.013) 8.082 5.138 ( -2.045 3.457 -7.013) 8.082 5.548 ( 3.658 -1.517 0.891) 4.059 5.548 ( 3.658 1.517 0.891) 4.059 5.675 ( 0.588 -2.292 0.123) 2.370 5.675 ( 0.588 2.292 0.123) 2.370 5.771 ( 4.816 -3.584 3.007) 6.714 5.771 ( 4.816 3.584 3.007) 6.714 5.880 ( 2.072 -6.055 -4.279) 7.698 5.880 ( 2.072 6.055 -4.279) 7.698 6.314 ( -0.775 -3.340 4.094) 5.340 6.314 ( -0.775 3.340 4.094) 5.340 6.406 ( -5.493 -2.840 -0.442) 6.199 6.406 ( -5.493 2.840 -0.442) 6.199 7.487 ( 0.320 -1.414 0.826) 1.668 7.487 ( 0.320 1.414 0.826) 1.668 7.801 ( -2.505 -1.592 -0.726) 3.056 7.801 ( -2.505 1.592 -0.726) 3.056 7.983 ( 1.933 -1.057 0.398) 2.239 7.983 ( 1.933 1.057 0.398) 2.239 8.241 ( -0.957 -1.865 0.268) 2.113 8.241 ( -0.957 1.865 0.268) 2.113 8.788 ( -3.713 -7.816 4.544) 9.774 8.788 ( -3.713 7.816 4.544) 9.774 8.901 ( -4.968 -6.008 -5.104) 9.318 8.901 ( -4.968 6.008 -5.104) 9.318 9.671 ( 0.459 -2.672 3.970) 4.808 9.671 ( 0.459 2.672 3.970) 4.808 9.752 ( 2.185 -1.890 -3.648) 4.653 9.752 ( 2.185 1.890 -3.648) 4.653 10.105 ( 3.863 -1.422 -1.164) 4.278 10.105 ( 3.863 1.422 -1.164) 4.278 10.268 ( 3.115 -1.088 -0.386) 3.322 10.268 ( 3.115 1.088 -0.386) 3.322 11.109 ( 6.890 -1.920 0.354) 7.161 11.109 ( 6.890 1.920 0.354) 7.161 11.229 ( 6.982 -3.052 -1.616) 7.790 11.229 ( 6.982 3.052 -1.616) 7.790 12.499 ( 0.120 -1.676 4.796) 5.082 12.499 ( 0.120 1.676 4.796) 5.082 12.759 ( -0.076 -0.842 0.109) 0.852 12.759 ( -0.076 0.842 0.109) 0.852 13.387 ( 4.268 -3.236 3.171) 6.224 13.387 ( 4.268 3.236 3.171) 6.224 13.740 ( -6.866 -1.272 -5.628) 8.968 13.740 ( -6.866 1.272 -5.628) 8.968 14.688 ( -6.748 -4.055 7.398) 10.803 14.688 ( -6.748 4.055 7.398) 10.803 14.845 ( -5.021 -3.497 -5.203) 8.032 14.845 ( -5.021 3.497 -5.203) 8.032 15.252 ( 4.574 -0.974 1.120) 4.809 15.252 ( 4.574 0.974 1.120) 4.809 15.866 ( -6.035 -1.687 -2.491) 6.743 15.866 ( -6.035 1.687 -2.491) 6.743 16.396 ( -0.269 -2.566 0.995) 2.765 16.396 ( -0.269 2.566 0.995) 2.765 16.683 ( 4.935 -2.304 -0.463) 5.466 16.683 ( 4.935 2.304 -0.463) 5.466 17.353 ( 4.769 -0.994 0.401) 4.888 17.353 ( 4.769 0.994 0.401) 4.888 17.647 ( 2.875 -1.268 -0.796) 3.242 17.647 ( 2.875 1.268 -0.796) 3.242 18.284 ( 1.328 -2.491 1.590) 3.240 18.284 ( 1.328 2.491 1.590) 3.240 18.678 ( -0.056 -2.011 -1.498) 2.508 18.678 ( -0.056 2.011 -1.498) 2.508 19.123 ( -3.284 -1.775 1.132) 3.901 19.123 ( -3.284 1.775 1.132) 3.901 19.239 ( -2.649 -1.537 -0.437) 3.094 19.239 ( -2.649 1.537 -0.437) 3.094 20.036 ( 1.712 -7.296 6.063) 9.640 20.036 ( 1.712 7.296 6.063) 9.640 20.249 ( 1.851 -6.476 -7.058) 9.755 20.249 ( 1.851 6.476 -7.058) 9.755 21.004 ( -0.771 -4.529 3.306) 5.660 21.004 ( -0.771 4.529 3.306) 5.660 21.096 ( -1.119 -2.871 -5.858) 6.619 21.096 ( -1.119 2.871 -5.858) 6.619 21.867 ( -0.479 -0.384 1.568) 1.684 21.867 ( -0.479 0.384 1.568) 1.684 22.408 ( -1.993 -1.693 0.045) 2.615 22.408 ( -1.993 1.693 0.045) 2.615 ======================= Grid point 191 (69/72) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 1.973 -13.715 9.967) 17.069 2.021 ( 1.973 13.715 9.967) 17.069 2.127 ( 6.044 -10.407 7.964) 14.431 2.127 ( 6.044 10.407 7.964) 14.431 2.318 ( 4.488 -7.635 -4.372) 9.876 2.318 ( 4.488 7.635 -4.372) 9.876 2.533 ( 6.919 -8.076 -11.684) 15.799 2.533 ( 6.919 8.076 -11.684) 15.799 2.929 ( -2.724 -0.769 0.337) 2.851 2.929 ( -2.724 0.769 0.337) 2.851 3.159 ( -2.757 -4.037 5.167) 7.113 3.159 ( -2.757 4.037 5.167) 7.113 3.274 ( -4.260 -3.609 -4.323) 7.061 3.274 ( -4.260 3.609 -4.323) 7.061 3.500 ( -1.463 -1.972 -1.739) 3.009 3.500 ( -1.463 1.972 -1.739) 3.009 3.680 ( 3.191 -6.464 7.757) 10.589 3.680 ( 3.191 6.464 7.757) 10.589 3.806 ( -3.069 -0.275 -0.031) 3.081 3.806 ( -3.069 0.275 -0.031) 3.081 4.076 ( 7.080 -7.818 -0.716) 10.571 4.076 ( 7.080 7.818 -0.716) 10.571 4.388 ( 7.587 -5.657 -7.709) 12.206 4.388 ( 7.587 5.657 -7.709) 12.206 4.848 ( -4.183 -4.355 2.487) 6.530 4.848 ( -4.183 4.355 2.487) 6.530 5.097 ( -2.582 -3.122 -2.475) 4.748 5.097 ( -2.582 3.122 -2.475) 4.748 5.605 ( 0.893 -1.689 2.588) 3.216 5.605 ( 0.893 1.689 2.588) 3.216 5.680 ( -0.339 -3.484 -1.515) 3.814 5.680 ( -0.339 3.484 -1.515) 3.814 5.881 ( 6.492 -3.959 2.437) 7.985 5.881 ( 6.492 3.959 2.437) 7.985 5.940 ( 3.867 -4.738 -2.868) 6.754 5.940 ( 3.867 4.738 -2.868) 6.754 6.264 ( -5.107 -3.179 1.352) 6.166 6.264 ( -5.107 3.179 1.352) 6.166 6.310 ( -2.425 -2.543 0.175) 3.518 6.310 ( -2.425 2.543 0.175) 3.518 7.505 ( 1.653 -2.053 1.622) 3.095 7.505 ( 1.653 2.053 1.622) 3.095 7.755 ( -2.025 -1.861 -1.323) 3.052 7.755 ( -2.025 1.861 -1.323) 3.052 8.009 ( 0.368 -1.696 0.982) 1.994 8.009 ( 0.368 1.696 0.982) 1.994 8.202 ( -3.544 -2.538 -0.299) 4.370 8.202 ( -3.544 2.538 -0.299) 4.370 8.701 ( -4.681 -6.917 3.873) 9.207 8.701 ( -4.681 6.917 3.873) 9.207 8.798 ( -4.858 -6.001 -3.766) 8.590 8.798 ( -4.858 6.001 -3.766) 8.590 9.696 ( 1.608 -2.127 3.819) 4.658 9.696 ( 1.608 2.127 3.819) 4.658 9.788 ( 1.712 -1.707 -3.957) 4.637 9.788 ( 1.712 1.707 -3.957) 4.637 10.201 ( 5.628 -1.234 -0.676) 5.801 10.201 ( 5.628 1.234 -0.676) 5.801 10.338 ( 3.974 -0.987 -0.914) 4.196 10.338 ( 3.974 0.987 -0.914) 4.196 11.272 ( 9.203 -0.783 1.060) 9.297 11.272 ( 9.203 0.783 1.060) 9.297 11.385 ( 8.222 -1.715 -2.469) 8.754 11.385 ( 8.222 1.715 -2.469) 8.754 12.507 ( 0.854 -1.230 5.074) 5.291 12.507 ( 0.854 1.230 5.074) 5.291 12.758 ( -0.118 -0.696 -0.688) 0.986 12.758 ( -0.118 0.696 -0.688) 0.986 13.476 ( 2.526 -6.397 4.769) 8.369 13.476 ( 2.526 6.397 4.769) 8.369 13.596 ( -5.037 -4.506 -6.048) 9.069 13.596 ( -5.037 4.506 -6.048) 9.069 14.565 ( -4.957 -1.613 2.766) 5.901 14.565 ( -4.957 1.613 2.766) 5.902 14.763 ( -4.022 -1.406 -2.082) 4.742 14.763 ( -4.022 1.406 -2.082) 4.742 15.294 ( -0.129 -1.410 3.769) 4.026 15.294 ( -0.129 1.410 3.769) 4.026 15.699 ( -10.541 -2.669 -4.596) 11.805 15.699 ( -10.541 2.669 -4.596) 11.805 16.424 ( 3.334 -1.417 1.006) 3.759 16.424 ( 3.334 1.417 1.006) 3.759 16.786 ( 4.907 -2.199 0.238) 5.382 16.786 ( 4.907 2.199 0.238) 5.382 17.462 ( 6.039 -2.180 0.777) 6.467 17.462 ( 6.039 2.180 0.777) 6.467 17.707 ( 2.942 -2.667 -2.220) 4.549 17.707 ( 2.942 2.667 -2.220) 4.549 18.326 ( 3.068 -2.756 1.033) 4.251 18.326 ( 3.068 2.756 1.033) 4.251 18.650 ( -3.028 -2.033 -0.475) 3.678 18.650 ( -3.028 2.033 -0.475) 3.678 19.084 ( -0.287 -2.251 0.829) 2.416 19.084 ( -0.287 2.251 0.829) 2.416 19.183 ( -2.799 -1.918 -0.361) 3.412 19.183 ( -2.799 1.918 -0.361) 3.412 20.060 ( 0.588 -5.175 3.467) 6.256 20.060 ( 0.588 5.175 3.467) 6.256 20.288 ( 1.836 -4.766 -4.038) 6.511 20.288 ( 1.836 4.766 -4.038) 6.511 20.979 ( -1.879 -4.162 2.444) 5.179 20.979 ( -1.879 4.162 2.444) 5.179 21.065 ( -1.947 -3.148 -4.490) 5.819 21.065 ( -1.947 3.148 -4.490) 5.819 21.867 ( 0.787 -0.642 1.697) 1.977 21.867 ( 0.787 0.642 1.697) 1.977 22.352 ( -3.753 -1.794 -0.596) 4.203 22.352 ( -3.753 1.794 -0.596) 4.203 ======================= Grid point 193 (70/72) ======================= q-point: ( 0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 4.906 -6.235 4.672) 9.208 2.079 ( 4.906 6.235 4.672) 9.208 2.222 ( 3.521 -5.859 2.588) 7.309 2.222 ( 3.521 5.859 2.588) 7.309 2.438 ( 6.863 -2.820 2.497) 7.829 2.438 ( 6.863 2.820 2.497) 7.829 2.638 ( 1.810 -2.325 -8.024) 8.548 2.638 ( 1.810 2.325 -8.024) 8.548 2.872 ( -1.393 -1.844 -1.480) 2.744 2.872 ( -1.393 1.844 -1.480) 2.744 3.107 ( -2.933 -3.878 2.573) 5.501 3.107 ( -2.933 3.878 2.573) 5.501 3.184 ( -3.813 -2.350 -2.648) 5.203 3.184 ( -3.813 2.350 -2.648) 5.203 3.447 ( -3.810 -2.602 -2.752) 5.372 3.447 ( -3.810 2.602 -2.752) 5.372 3.692 ( -1.118 -3.894 3.685) 5.477 3.692 ( -1.118 3.894 3.685) 5.477 3.777 ( -0.384 -2.331 -0.238) 2.375 3.777 ( -0.384 2.331 -0.238) 2.375 4.256 ( 10.355 -8.564 5.305) 14.448 4.256 ( 10.355 8.564 5.305) 14.448 4.533 ( 6.501 -4.916 -4.922) 9.521 4.533 ( 6.501 4.916 -4.922) 9.521 4.793 ( -1.225 -3.890 -0.160) 4.081 4.793 ( -1.225 3.890 -0.160) 4.081 5.034 ( -3.894 -3.598 -1.170) 5.430 5.034 ( -3.894 3.598 -1.170) 5.430 5.582 ( -2.340 -1.224 3.503) 4.386 5.582 ( -2.340 1.224 3.503) 4.386 5.649 ( -2.877 -4.287 -2.428) 5.705 5.649 ( -2.877 4.287 -2.428) 5.705 5.983 ( 2.910 -2.563 1.289) 4.086 5.983 ( 2.910 2.563 1.289) 4.086 6.017 ( 3.657 -3.757 -1.455) 5.441 6.017 ( 3.657 3.757 -1.455) 5.441 6.204 ( 0.079 -1.441 -0.108) 1.447 6.204 ( 0.079 1.441 -0.108) 1.447 6.284 ( -0.346 -1.339 0.379) 1.434 6.284 ( -0.346 1.339 0.379) 1.434 7.553 ( 3.362 -2.482 2.191) 4.718 7.553 ( 3.362 2.482 2.191) 4.718 7.726 ( -1.026 -2.268 -1.602) 2.960 7.726 ( -1.026 2.268 -1.602) 2.960 7.990 ( -2.417 -2.762 1.940) 4.151 7.990 ( -2.417 2.762 1.940) 4.151 8.098 ( -6.871 -3.188 -1.279) 7.681 8.098 ( -6.871 3.188 -1.279) 7.681 8.633 ( -2.004 -5.689 3.035) 6.752 8.633 ( -2.004 5.689 3.035) 6.752 8.732 ( -2.147 -4.574 -3.045) 5.900 8.732 ( -2.147 4.574 -3.045) 5.900 9.724 ( 1.354 -1.518 1.956) 2.822 9.724 ( 1.354 1.518 1.956) 2.822 9.815 ( 0.801 -1.634 -2.018) 2.717 9.815 ( 0.801 1.634 -2.018) 2.717 10.302 ( 4.585 -1.118 1.422) 4.929 10.302 ( 4.585 1.118 1.422) 4.929 10.416 ( 3.954 -0.677 -2.883) 4.940 10.416 ( 3.954 0.677 -2.883) 4.940 11.428 ( 6.482 -1.215 2.050) 6.906 11.428 ( 6.482 1.215 2.050) 6.906 11.518 ( 5.254 -1.613 -3.257) 6.388 11.518 ( 5.254 1.613 -3.257) 6.388 12.534 ( 1.960 -0.870 4.641) 5.113 12.534 ( 1.960 0.870 4.641) 5.113 12.750 ( -0.964 -1.613 -1.309) 2.290 12.750 ( -0.964 1.613 -1.309) 2.290 13.428 ( -2.605 -3.034 -0.120) 4.000 13.428 ( -2.605 3.034 -0.120) 4.001 13.620 ( 2.733 -3.345 -0.008) 4.319 13.620 ( 2.733 3.345 -0.008) 4.319 14.508 ( -1.076 -1.112 1.055) 1.872 14.508 ( -1.076 1.112 1.055) 1.872 14.691 ( -3.262 -1.089 -1.174) 3.634 14.691 ( -3.262 1.089 -1.174) 3.634 15.262 ( -2.693 -2.361 5.832) 6.844 15.262 ( -2.693 2.361 5.832) 6.844 15.497 ( -9.647 -2.971 -6.581) 12.050 15.497 ( -9.647 2.971 -6.581) 12.050 16.512 ( 5.427 -1.390 1.784) 5.879 16.512 ( 5.427 1.390 1.784) 5.879 16.848 ( 1.282 -2.923 -0.298) 3.206 16.848 ( 1.282 2.923 -0.298) 3.206 17.573 ( 5.334 -2.844 1.019) 6.130 17.573 ( 5.334 2.844 1.019) 6.130 17.749 ( 1.329 -3.910 -2.945) 5.072 17.749 ( 1.329 3.910 -2.945) 5.072 18.400 ( 4.475 -2.715 0.961) 5.322 18.400 ( 4.475 2.715 0.961) 5.322 18.586 ( -2.763 -2.168 -0.024) 3.512 18.586 ( -2.763 2.168 -0.024) 3.512 19.091 ( 0.080 -2.858 1.763) 3.359 19.091 ( 0.080 2.858 1.763) 3.359 19.141 ( -1.343 -1.938 -1.536) 2.814 19.141 ( -1.343 1.938 -1.536) 2.814 20.068 ( 0.657 -4.694 1.683) 5.029 20.068 ( 0.657 4.694 1.683) 5.029 20.302 ( -0.792 -4.544 -1.982) 5.020 20.302 ( -0.792 4.544 -1.982) 5.020 20.938 ( -1.902 -2.631 0.636) 3.308 20.938 ( -1.902 2.631 0.636) 3.308 21.027 ( -1.892 -1.676 -2.198) 3.350 21.027 ( -1.892 1.676 -2.198) 3.350 21.901 ( 2.599 -0.880 1.750) 3.254 21.901 ( 2.599 0.880 1.750) 3.254 22.268 ( -4.914 -1.588 -1.025) 5.265 22.268 ( -4.914 1.588 -1.025) 5.265 ======================= Grid point 195 (71/72) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 5.007 -2.090 3.214) 6.306 2.190 ( 5.007 2.090 3.214) 6.306 2.282 ( 3.570 -2.802 -0.578) 4.575 2.282 ( 3.570 2.802 -0.578) 4.575 2.533 ( 1.818 -2.263 1.557) 3.294 2.533 ( 1.818 2.263 1.557) 3.294 2.599 ( -2.722 -3.238 -4.188) 5.952 2.599 ( -2.722 3.238 -4.188) 5.952 2.878 ( 0.323 -2.226 -0.867) 2.410 2.878 ( 0.323 2.226 -0.867) 2.410 3.005 ( -6.842 -1.988 -0.276) 7.131 3.005 ( -6.842 1.988 -0.276) 7.131 3.210 ( 6.035 -2.617 1.499) 6.747 3.210 ( 6.035 2.617 1.499) 6.747 3.393 ( -1.342 -2.735 -2.732) 4.092 3.393 ( -1.342 2.735 -2.732) 4.092 3.661 ( -1.683 -4.521 1.767) 5.137 3.661 ( -1.683 4.521 1.767) 5.137 3.748 ( -3.178 -2.452 -1.384) 4.246 3.748 ( -3.178 2.452 -1.384) 4.246 4.433 ( 7.379 -5.338 6.115) 10.970 4.433 ( 7.379 5.338 6.115) 10.970 4.606 ( 0.990 -2.072 -0.862) 2.453 4.606 ( 0.990 2.072 -0.862) 2.453 4.807 ( 2.456 -5.312 -1.957) 6.171 4.807 ( 2.456 5.312 -1.957) 6.171 4.957 ( -3.765 -3.452 -1.416) 5.300 4.957 ( -3.765 3.452 -1.416) 5.300 5.546 ( -0.810 -1.350 2.033) 2.571 5.546 ( -0.810 1.350 2.033) 2.571 5.592 ( -2.603 -3.002 -1.333) 4.191 5.592 ( -2.603 3.002 -1.333) 4.191 6.003 ( -0.055 -3.662 1.433) 3.933 6.003 ( -0.055 3.662 1.433) 3.933 6.049 ( -0.040 -4.351 -3.108) 5.347 6.049 ( -0.040 4.351 -3.108) 5.347 6.252 ( 3.464 -1.247 0.652) 3.739 6.252 ( 3.464 1.247 0.652) 3.739 6.296 ( 1.049 -1.593 0.533) 1.981 6.296 ( 1.049 1.593 0.533) 1.981 7.628 ( 4.049 -3.438 2.340) 5.804 7.628 ( 4.049 3.438 2.340) 5.804 7.714 ( -0.303 -3.449 -1.233) 3.676 7.714 ( -0.303 3.449 -1.233) 3.676 7.922 ( -4.080 -3.552 2.529) 5.971 7.922 ( -4.080 3.552 2.529) 5.971 7.970 ( -5.608 -3.363 -1.822) 6.788 7.970 ( -5.608 3.363 -1.822) 6.788 8.625 ( 0.864 -4.111 1.536) 4.473 8.625 ( 0.864 4.111 1.536) 4.473 8.702 ( -1.345 -3.200 -2.162) 4.090 8.702 ( -1.345 3.200 -2.162) 4.090 9.753 ( 1.699 -1.205 0.836) 2.244 9.753 ( 1.699 1.205 0.836) 2.244 9.813 ( -0.865 -1.426 -0.821) 1.859 9.813 ( -0.865 1.426 -0.821) 1.859 10.372 ( 2.605 -0.858 3.487) 4.436 10.372 ( 2.605 0.858 3.487) 4.436 10.479 ( 2.351 -0.351 -4.749) 5.310 10.479 ( 2.351 0.351 -4.749) 5.310 11.515 ( 2.709 -1.141 2.595) 3.921 11.515 ( 2.709 1.141 2.595) 3.921 11.585 ( 1.931 -1.296 -3.406) 4.125 11.585 ( 1.931 1.296 -3.406) 4.125 12.579 ( 2.525 -0.807 3.852) 4.676 12.579 ( 2.525 0.807 3.852) 4.676 12.716 ( -2.367 -1.886 -1.536) 3.394 12.716 ( -2.367 1.886 -1.536) 3.394 13.442 ( 3.803 -2.044 -0.345) 4.331 13.442 ( 3.803 2.044 -0.345) 4.331 13.625 ( -2.373 -2.331 0.642) 3.388 13.625 ( -2.373 2.331 0.642) 3.388 14.516 ( 1.727 -0.660 1.360) 2.295 14.516 ( 1.727 0.660 1.360) 2.295 14.639 ( -2.327 -0.833 -1.290) 2.788 14.639 ( -2.327 0.833 -1.290) 2.788 15.211 ( -2.079 -2.209 5.485) 6.268 15.211 ( -2.079 2.209 5.485) 6.268 15.347 ( -5.794 -2.313 -6.344) 8.897 15.347 ( -5.794 2.313 -6.344) 8.897 16.618 ( 5.276 -1.522 3.198) 6.354 16.618 ( 5.276 1.522 3.198) 6.354 16.837 ( -2.094 -2.671 -2.000) 3.940 16.837 ( -2.094 2.671 -2.000) 3.940 17.663 ( 3.934 -3.494 0.470) 5.282 17.663 ( 3.934 3.494 0.470) 5.282 17.755 ( -0.663 -4.572 -2.267) 5.146 17.755 ( -0.663 4.572 -2.267) 5.146 18.485 ( 3.885 -3.321 1.270) 5.266 18.485 ( 3.885 3.321 1.270) 5.266 18.557 ( -0.399 -3.616 0.070) 3.638 18.557 ( -0.399 3.616 0.070) 3.638 19.081 ( -0.549 -2.063 1.513) 2.616 19.081 ( -0.549 2.063 1.513) 2.616 19.120 ( -1.399 -1.577 -1.849) 2.804 19.120 ( -1.399 1.577 -1.849) 2.804 20.098 ( 2.709 -4.534 0.755) 5.335 20.098 ( 2.709 4.534 0.755) 5.335 20.255 ( -3.793 -4.617 -0.963) 6.052 20.255 ( -3.793 4.617 -0.963) 6.052 20.921 ( 0.232 -1.304 0.014) 1.325 20.921 ( 0.232 1.304 0.014) 1.325 20.990 ( -1.995 -0.519 -1.210) 2.390 20.990 ( -1.995 0.519 -1.210) 2.390 21.963 ( 3.698 -0.837 2.151) 4.359 21.963 ( 3.698 0.837 2.151) 4.359 22.170 ( -5.037 -1.266 -1.570) 5.426 22.170 ( -5.037 1.266 -1.570) 5.426 ======================= Grid point 197 (72/72) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 0.000 -0.000 4.741) 4.741 2.233 ( 0.000 0.000 4.741) 4.741 2.336 ( 0.000 -0.000 -3.849) 3.849 2.336 ( 0.000 0.000 -3.849) 3.849 2.553 ( -0.000 -0.000 -1.959) 1.959 2.553 ( 0.000 -0.000 -1.959) 1.959 2.558 ( -0.000 -0.000 -1.540) 1.540 2.558 ( 0.000 0.000 -1.540) 1.540 2.892 ( -0.000 -0.000 0.910) 0.910 2.892 ( 0.000 0.000 0.910) 0.910 2.910 ( 0.000 -0.000 -0.308) 0.308 2.910 ( 0.000 0.000 -0.308) 0.308 3.309 ( 0.000 -0.000 4.109) 4.109 3.309 ( 0.000 0.000 4.109) 4.109 3.374 ( 0.000 -0.000 -1.847) 1.847 3.374 ( 0.000 0.000 -1.847) 1.847 3.655 ( -0.000 0.000 -0.052) 0.052 3.655 ( 0.000 0.000 -0.052) 0.052 3.685 ( -0.000 -0.000 -2.729) 2.729 3.685 ( 0.000 -0.000 -2.729) 2.729 4.517 ( 0.000 -0.000 6.023) 6.023 4.517 ( 0.000 0.000 6.023) 6.023 4.598 ( -0.000 0.000 -0.510) 0.510 4.598 ( 0.000 0.000 -0.510) 0.510 4.853 ( 0.000 -0.000 0.551) 0.551 4.853 ( 0.000 0.000 0.551) 0.551 4.904 ( 0.000 -0.000 -3.464) 3.464 4.904 ( -0.000 0.000 -3.464) 3.464 5.553 ( 0.000 -0.000 0.311) 0.311 5.553 ( 0.000 0.000 0.311) 0.311 5.554 ( -0.000 -0.000 0.192) 0.192 5.554 ( -0.000 0.000 0.192) 0.192 6.000 ( 0.000 -0.000 1.012) 1.012 6.000 ( 0.000 0.000 1.012) 1.012 6.044 ( 0.000 0.000 -3.342) 3.342 6.044 ( 0.000 0.000 -3.342) 3.342 6.296 ( 0.000 -0.000 1.056) 1.056 6.296 ( 0.000 0.000 1.056) 1.056 6.303 ( 0.000 -0.000 0.478) 0.478 6.303 ( 0.000 0.000 0.478) 0.478 7.682 ( -0.000 -0.000 1.961) 1.961 7.682 ( 0.000 -0.000 1.961) 1.961 7.707 ( 0.000 0.000 -0.085) 0.085 7.707 ( 0.000 0.000 -0.085) 0.085 7.877 ( 0.000 -0.000 1.636) 1.636 7.877 ( 0.000 0.000 1.636) 1.636 7.906 ( 0.000 -0.000 -1.413) 1.413 7.906 ( 0.000 0.000 -1.413) 1.413 8.644 ( 0.000 -0.000 1.296) 1.296 8.644 ( 0.000 0.000 1.296) 1.296 8.681 ( 0.000 -0.000 -2.229) 2.229 8.681 ( 0.000 0.000 -2.229) 2.229 9.787 ( -0.001 -0.002 0.011) 0.011 9.787 ( 0.002 0.001 0.011) 0.011 9.787 ( -0.000 -0.001 0.063) 0.063 9.787 ( -0.001 0.002 0.063) 0.063 10.398 ( 0.000 0.000 4.287) 4.287 10.398 ( 0.000 0.000 4.287) 4.287 10.502 ( 0.000 -0.000 -5.498) 5.498 10.502 ( 0.000 0.000 -5.498) 5.498 11.540 ( 0.000 -0.000 2.699) 2.699 11.540 ( 0.000 0.000 2.699) 2.699 11.601 ( 0.000 -0.000 -3.324) 3.324 11.601 ( 0.000 0.000 -3.324) 3.324 12.613 ( -0.000 0.000 4.295) 4.295 12.613 ( 0.000 0.000 4.295) 4.295 12.682 ( 0.000 -0.000 -2.357) 2.357 12.682 ( 0.000 0.000 -2.357) 2.357 13.535 ( -0.000 -0.000 0.798) 0.798 13.535 ( -0.000 0.000 0.798) 0.798 13.549 ( 0.000 -0.000 -0.529) 0.529 13.549 ( 0.000 0.000 -0.529) 0.529 14.548 ( 0.000 0.000 2.895) 2.895 14.548 ( 0.000 0.000 2.895) 2.895 14.605 ( -0.000 0.000 -2.373) 2.373 14.605 ( 0.000 0.000 -2.373) 2.373 15.192 ( 0.000 0.000 3.906) 3.906 15.192 ( 0.000 0.000 3.906) 3.906 15.287 ( 0.000 0.000 -4.995) 4.995 15.287 ( 0.000 0.000 -4.995) 4.995 16.685 ( -0.000 -0.000 5.997) 5.997 16.685 ( 0.000 0.000 5.997) 5.997 16.800 ( 0.000 0.000 -4.975) 4.975 16.800 ( 0.000 0.000 -4.975) 4.975 17.718 ( 0.000 -0.000 -0.285) 0.285 17.718 ( 0.000 0.000 -0.285) 0.285 17.731 ( -0.000 -0.000 -1.421) 1.421 17.731 ( 0.000 0.000 -1.421) 1.421 18.528 ( -0.000 -0.000 2.188) 2.188 18.528 ( 0.000 0.000 2.188) 2.188 18.555 ( 0.000 -0.000 -0.481) 0.481 18.555 ( 0.000 0.000 -0.481) 0.481 19.083 ( 0.000 -0.000 0.093) 0.093 19.083 ( 0.000 0.000 0.093) 0.093 19.094 ( -0.000 -0.000 -0.903) 0.903 19.094 ( 0.000 0.000 -0.903) 0.903 20.159 ( -0.000 0.000 1.001) 1.001 20.159 ( 0.000 0.000 1.001) 1.001 20.183 ( -0.000 -0.000 -1.197) 1.197 20.183 ( 0.000 -0.000 -1.197) 1.197 20.934 ( 0.000 -0.000 0.746) 0.746 20.934 ( 0.000 0.000 0.746) 0.746 20.961 ( 0.000 0.000 -1.783) 1.783 20.961 ( 0.000 0.000 -1.783) 1.783 22.018 ( 0.000 -0.000 4.221) 4.221 22.018 ( 0.000 0.000 4.221) 4.221 22.101 ( 0.000 -0.000 -3.671) 3.671 22.101 ( 0.000 0.000 -3.671) 3.671 =================== 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 3/32400 10.0 2108.451 2615.056 1841.848 0.000 0.000 0.000 3/32400 20.0 366.420 367.496 372.338 0.000 0.000 0.000 3/32400 30.0 134.174 128.004 137.687 0.000 0.000 0.000 3/32400 40.0 69.920 65.504 71.822 0.000 0.000 0.000 3/32400 50.0 44.220 41.073 45.384 0.000 0.000 0.000 3/32400 60.0 31.396 29.046 32.186 0.000 0.000 0.000 3/32400 70.0 23.990 22.160 24.564 0.000 0.000 0.000 3/32400 80.0 19.263 17.789 19.700 0.000 0.000 0.000 3/32400 90.0 16.024 14.803 16.367 0.000 0.000 0.000 3/32400 100.0 13.683 12.649 13.958 0.000 0.000 0.000 3/32400 110.0 11.920 11.029 12.145 0.000 0.000 0.000 3/32400 120.0 10.550 9.771 10.737 0.000 0.000 0.000 3/32400 130.0 9.457 8.767 9.614 0.000 0.000 0.000 3/32400 140.0 8.565 7.949 8.699 0.000 0.000 0.000 3/32400 150.0 7.826 7.271 7.941 0.000 0.000 0.000 3/32400 160.0 7.203 6.699 7.303 0.000 0.000 0.000 3/32400 170.0 6.671 6.212 6.759 0.000 0.000 0.000 3/32400 180.0 6.213 5.791 6.291 0.000 0.000 0.000 3/32400 190.0 5.813 5.424 5.883 0.000 0.000 0.000 3/32400 200.0 5.462 5.102 5.525 0.000 0.000 0.000 3/32400 210.0 5.151 4.817 5.208 0.000 0.000 0.000 3/32400 220.0 4.874 4.563 4.926 0.000 0.000 0.000 3/32400 230.0 4.626 4.335 4.674 0.000 0.000 0.000 3/32400 240.0 4.402 4.129 4.446 0.000 0.000 0.000 3/32400 250.0 4.199 3.942 4.240 0.000 0.000 0.000 3/32400 260.0 4.014 3.772 4.052 0.000 0.000 0.000 3/32400 270.0 3.845 3.616 3.881 0.000 0.000 0.000 3/32400 280.0 3.690 3.474 3.724 0.000 0.000 0.000 3/32400 290.0 3.547 3.342 3.579 0.000 0.000 0.000 3/32400 300.0 3.415 3.220 3.445 0.000 0.000 0.000 3/32400 310.0 3.293 3.107 3.322 0.000 0.000 0.000 3/32400 320.0 3.179 3.002 3.207 0.000 0.000 0.000 3/32400 330.0 3.073 2.904 3.099 0.000 0.000 0.000 3/32400 340.0 2.975 2.812 2.999 0.000 0.000 0.000 3/32400 350.0 2.882 2.726 2.906 0.000 0.000 0.000 3/32400 360.0 2.795 2.646 2.818 0.000 0.000 0.000 3/32400 370.0 2.713 2.570 2.735 0.000 0.000 0.000 3/32400 380.0 2.636 2.498 2.658 0.000 0.000 0.000 3/32400 390.0 2.564 2.430 2.584 0.000 0.000 0.000 3/32400 400.0 2.495 2.366 2.515 0.000 0.000 0.000 3/32400 410.0 2.430 2.306 2.449 0.000 0.000 0.000 3/32400 420.0 2.369 2.248 2.387 0.000 0.000 0.000 3/32400 430.0 2.310 2.194 2.328 0.000 0.000 0.000 3/32400 440.0 2.254 2.142 2.272 0.000 0.000 0.000 3/32400 450.0 2.201 2.092 2.218 0.000 0.000 0.000 3/32400 460.0 2.151 2.045 2.167 0.000 0.000 0.000 3/32400 470.0 2.103 2.000 2.119 0.000 0.000 0.000 3/32400 480.0 2.057 1.957 2.072 0.000 0.000 0.000 3/32400 490.0 2.013 1.915 2.028 0.000 0.000 0.000 3/32400 500.0 1.970 1.876 1.985 0.000 0.000 0.000 3/32400 510.0 1.930 1.838 1.945 0.000 0.000 0.000 3/32400 520.0 1.891 1.801 1.906 0.000 0.000 0.000 3/32400 530.0 1.854 1.766 1.868 0.000 0.000 0.000 3/32400 540.0 1.818 1.733 1.832 0.000 0.000 0.000 3/32400 550.0 1.784 1.700 1.797 0.000 0.000 0.000 3/32400 560.0 1.751 1.669 1.764 0.000 0.000 0.000 3/32400 570.0 1.719 1.639 1.732 0.000 0.000 0.000 3/32400 580.0 1.688 1.610 1.701 0.000 0.000 0.000 3/32400 590.0 1.659 1.582 1.671 0.000 0.000 0.000 3/32400 600.0 1.630 1.555 1.642 0.000 0.000 0.000 3/32400 610.0 1.603 1.529 1.615 0.000 0.000 0.000 3/32400 620.0 1.576 1.504 1.588 0.000 0.000 0.000 3/32400 630.0 1.550 1.480 1.562 0.000 0.000 0.000 3/32400 640.0 1.525 1.456 1.537 0.000 0.000 0.000 3/32400 650.0 1.501 1.433 1.512 0.000 0.000 0.000 3/32400 660.0 1.478 1.411 1.489 0.000 0.000 0.000 3/32400 670.0 1.455 1.390 1.466 0.000 0.000 0.000 3/32400 680.0 1.433 1.369 1.444 0.000 0.000 0.000 3/32400 690.0 1.412 1.349 1.422 0.000 0.000 0.000 3/32400 700.0 1.391 1.329 1.401 0.000 0.000 0.000 3/32400 710.0 1.371 1.310 1.381 0.000 0.000 0.000 3/32400 720.0 1.352 1.292 1.362 0.000 0.000 0.000 3/32400 730.0 1.333 1.274 1.342 0.000 0.000 0.000 3/32400 740.0 1.314 1.256 1.324 0.000 0.000 0.000 3/32400 750.0 1.296 1.240 1.306 0.000 0.000 0.000 3/32400 760.0 1.279 1.223 1.288 0.000 0.000 0.000 3/32400 770.0 1.262 1.207 1.271 0.000 0.000 0.000 3/32400 780.0 1.246 1.191 1.255 0.000 0.000 0.000 3/32400 790.0 1.230 1.176 1.238 0.000 0.000 0.000 3/32400 800.0 1.214 1.161 1.223 0.000 0.000 0.000 3/32400 810.0 1.199 1.147 1.207 0.000 0.000 0.000 3/32400 820.0 1.184 1.132 1.192 0.000 0.000 0.000 3/32400 830.0 1.169 1.119 1.178 0.000 0.000 0.000 3/32400 840.0 1.155 1.105 1.163 0.000 0.000 0.000 3/32400 850.0 1.141 1.092 1.150 0.000 0.000 0.000 3/32400 860.0 1.128 1.079 1.136 0.000 0.000 0.000 3/32400 870.0 1.115 1.067 1.123 0.000 0.000 0.000 3/32400 880.0 1.102 1.054 1.110 0.000 0.000 0.000 3/32400 890.0 1.089 1.043 1.097 0.000 0.000 0.000 3/32400 900.0 1.077 1.031 1.085 0.000 0.000 0.000 3/32400 910.0 1.065 1.019 1.073 0.000 0.000 0.000 3/32400 920.0 1.053 1.008 1.061 0.000 0.000 0.000 3/32400 930.0 1.042 0.997 1.049 0.000 0.000 0.000 3/32400 940.0 1.030 0.987 1.038 0.000 0.000 0.000 3/32400 950.0 1.019 0.976 1.027 0.000 0.000 0.000 3/32400 960.0 1.009 0.966 1.016 0.000 0.000 0.000 3/32400 970.0 0.998 0.956 1.005 0.000 0.000 0.000 3/32400 980.0 0.988 0.946 0.995 0.000 0.000 0.000 3/32400 990.0 0.978 0.936 0.985 0.000 0.000 0.000 3/32400 1000.0 0.968 0.927 0.975 0.000 0.000 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m1065.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:17:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|