----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:11:19]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.020192350000000 -5.646120940000001 0.000000000000000 b 3.020192350000000 5.646120940000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.219124510000000 Atomic positions (fractional): *1 Mg 0.38932904837930 0.11067095162070 0.75000000000000 24.305 2 Mg 0.11067095162070 0.38932904837930 0.25000000000000 24.305 *3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 4 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 5 Mg 0.61067095162070 0.88932904837930 0.25000000000000 24.305 6 Mg 0.88932904837930 0.61067095162070 0.75000000000000 24.305 *7 As 0.12029767473166 0.87970232526834 0.38483232360261 74.922 8 As 0.87970232526834 0.12029767473166 0.61516767639739 74.922 9 As 0.37970232526834 0.62029767473166 0.88483232360261 74.922 10 As 0.62029767473166 0.37970232526834 0.11516767639739 74.922 *11 O 0.11302832944855 0.35076219070719 0.50006557601023 15.999 12 O 0.35076219070719 0.11302832944855 0.49993442398977 15.999 13 O 0.14923780929281 0.38697167055145 0.99993442398977 15.999 14 O 0.38697167055145 0.14923780929281 0.00006557601023 15.999 *15 O 0.00069893145218 0.99930106854782 0.74919237740985 15.999 16 O 0.49930106854782 0.50069893145218 0.24919237740985 15.999 *17 O 0.25468104517407 0.74531895482593 0.77218460400787 15.999 18 O 0.24531895482593 0.75468104517407 0.27218460400786 15.999 19 O 0.74531895482593 0.25468104517407 0.22781539599213 15.999 20 O 0.75468104517407 0.24531895482593 0.72781539599213 15.999 21 O 0.50069893145218 0.49930106854782 0.75080762259015 15.999 22 O 0.99930106854782 0.00069893145218 0.25080762259015 15.999 23 O 0.61302832944855 0.85076219070719 0.99993442398977 15.999 24 O 0.85076219070719 0.61302832944855 0.00006557601023 15.999 25 O 0.64923780929281 0.88697167055145 0.50006557601023 15.999 26 O 0.88697167055145 0.64923780929281 0.49993442398977 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.040384700000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.292241880000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.219124510000000 Atomic positions (fractional): *1 Mg 0.75000000000000 0.36067095162070 0.75000000000000 24.305 > 1 2 Mg 0.25000000000000 0.13932904837930 0.25000000000000 24.305 > 2 *3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 3 4 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 4 5 Mg 0.75000000000000 0.13932904837930 0.25000000000000 24.305 > 5 6 Mg 0.25000000000000 0.36067095162070 0.75000000000000 24.305 > 6 7 Mg 0.25000000000000 0.86067095162070 0.75000000000000 24.305 > 1 8 Mg 0.75000000000000 0.63932904837930 0.25000000000000 24.305 > 2 9 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 3 10 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 4 11 Mg 0.25000000000000 0.63932904837930 0.25000000000000 24.305 > 5 12 Mg 0.75000000000000 0.86067095162070 0.75000000000000 24.305 > 6 *13 As 0.50000000000000 0.37970232526834 0.38483232360261 74.922 > 7 14 As 0.00000000000000 0.12029767473166 0.61516767639739 74.922 > 8 15 As 0.50000000000000 0.12029767473166 0.88483232360261 74.922 > 9 16 As 0.00000000000000 0.37970232526834 0.11516767639739 74.922 > 10 17 As 0.00000000000000 0.87970232526834 0.38483232360261 74.922 > 7 18 As 0.50000000000000 0.62029767473166 0.61516767639739 74.922 > 8 19 As 0.00000000000000 0.62029767473166 0.88483232360261 74.922 > 9 20 As 0.50000000000000 0.87970232526834 0.11516767639739 74.922 > 10 *21 O 0.23189526007787 0.11886693062932 0.50006557601023 15.999 > 11 22 O 0.73189526007787 0.38113306937068 0.49993442398977 15.999 > 12 23 O 0.26810473992213 0.11886693062932 0.99993442398977 15.999 > 13 24 O 0.76810473992213 0.38113306937068 0.00006557601023 15.999 > 14 *25 O 0.50000000000000 0.49930106854782 0.74919237740985 15.999 > 15 26 O 0.50000000000000 0.00069893145218 0.24919237740985 15.999 > 16 *27 O 0.50000000000000 0.24531895482593 0.77218460400787 15.999 > 17 28 O 0.50000000000000 0.25468104517407 0.27218460400786 15.999 > 18 29 O 0.00000000000000 0.25468104517407 0.22781539599213 15.999 > 19 30 O 0.00000000000000 0.24531895482593 0.72781539599213 15.999 > 20 31 O 0.00000000000000 0.49930106854782 0.75080762259015 15.999 > 21 32 O 0.00000000000000 0.00069893145218 0.25080762259015 15.999 > 22 33 O 0.73189526007787 0.11886693062932 0.99993442398977 15.999 > 23 34 O 0.23189526007787 0.38113306937068 0.00006557601023 15.999 > 24 35 O 0.76810473992213 0.11886693062932 0.50006557601023 15.999 > 25 36 O 0.26810473992213 0.38113306937068 0.49993442398977 15.999 > 26 37 O 0.73189526007787 0.61886693062932 0.50006557601023 15.999 > 11 38 O 0.23189526007787 0.88113306937068 0.49993442398977 15.999 > 12 39 O 0.76810473992213 0.61886693062932 0.99993442398977 15.999 > 13 40 O 0.26810473992213 0.88113306937068 0.00006557601023 15.999 > 14 41 O 0.00000000000000 0.99930106854782 0.74919237740985 15.999 > 15 42 O 0.00000000000000 0.50069893145218 0.24919237740985 15.999 > 16 43 O 0.00000000000000 0.74531895482593 0.77218460400787 15.999 > 17 44 O 0.00000000000000 0.75468104517407 0.27218460400786 15.999 > 18 45 O 0.50000000000000 0.75468104517407 0.22781539599213 15.999 > 19 46 O 0.50000000000000 0.74531895482593 0.72781539599213 15.999 > 20 47 O 0.50000000000000 0.99930106854782 0.75080762259015 15.999 > 21 48 O 0.50000000000000 0.50069893145218 0.25080762259015 15.999 > 22 49 O 0.23189526007787 0.61886693062932 0.99993442398977 15.999 > 23 50 O 0.73189526007787 0.88113306937068 0.00006557601023 15.999 > 24 51 O 0.26810473992213 0.61886693062932 0.50006557601023 15.999 > 25 52 O 0.76810473992213 0.88113306937068 0.49993442398977 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.080769400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.292241880000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.219124510000000 Atomic positions (fractional): *1 Mg 0.37500000000000 0.36067095162070 0.75000000000000 24.305 > 1 2 Mg 0.87500000000000 0.36067095162070 0.75000000000000 24.305 > 1 3 Mg 0.12500000000000 0.13932904837930 0.25000000000000 24.305 > 2 4 Mg 0.62500000000000 0.13932904837930 0.25000000000000 24.305 > 2 *5 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 3 6 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 3 7 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 4 8 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 4 9 Mg 0.37500000000000 0.13932904837930 0.25000000000000 24.305 > 5 10 Mg 0.87500000000000 0.13932904837930 0.25000000000000 24.305 > 5 11 Mg 0.12500000000000 0.36067095162070 0.75000000000000 24.305 > 6 12 Mg 0.62500000000000 0.36067095162070 0.75000000000000 24.305 > 6 13 Mg 0.12500000000000 0.86067095162070 0.75000000000000 24.305 > 1 14 Mg 0.62500000000000 0.86067095162070 0.75000000000000 24.305 > 1 15 Mg 0.37500000000000 0.63932904837930 0.25000000000000 24.305 > 2 16 Mg 0.87500000000000 0.63932904837930 0.25000000000000 24.305 > 2 17 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 3 18 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 3 19 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 4 20 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 4 21 Mg 0.12500000000000 0.63932904837930 0.25000000000000 24.305 > 5 22 Mg 0.62500000000000 0.63932904837930 0.25000000000000 24.305 > 5 23 Mg 0.37500000000000 0.86067095162070 0.75000000000000 24.305 > 6 24 Mg 0.87500000000000 0.86067095162070 0.75000000000000 24.305 > 6 *25 As 0.25000000000000 0.37970232526834 0.38483232360261 74.922 > 7 26 As 0.75000000000000 0.37970232526834 0.38483232360261 74.922 > 7 27 As 0.00000000000000 0.12029767473166 0.61516767639739 74.922 > 8 28 As 0.50000000000000 0.12029767473166 0.61516767639739 74.922 > 8 29 As 0.25000000000000 0.12029767473166 0.88483232360261 74.922 > 9 30 As 0.75000000000000 0.12029767473166 0.88483232360261 74.922 > 9 31 As 0.00000000000000 0.37970232526834 0.11516767639739 74.922 > 10 32 As 0.50000000000000 0.37970232526834 0.11516767639739 74.922 > 10 33 As 0.00000000000000 0.87970232526834 0.38483232360261 74.922 > 7 34 As 0.50000000000000 0.87970232526834 0.38483232360261 74.922 > 7 35 As 0.25000000000000 0.62029767473166 0.61516767639739 74.922 > 8 36 As 0.75000000000000 0.62029767473166 0.61516767639739 74.922 > 8 37 As 0.00000000000000 0.62029767473166 0.88483232360261 74.922 > 9 38 As 0.50000000000000 0.62029767473166 0.88483232360261 74.922 > 9 39 As 0.25000000000000 0.87970232526834 0.11516767639739 74.922 > 10 40 As 0.75000000000000 0.87970232526834 0.11516767639739 74.922 > 10 *41 O 0.11594763003893 0.11886693062932 0.50006557601023 15.999 > 11 42 O 0.61594763003893 0.11886693062932 0.50006557601023 15.999 > 11 43 O 0.36594763003893 0.38113306937068 0.49993442398977 15.999 > 12 44 O 0.86594763003893 0.38113306937068 0.49993442398977 15.999 > 12 45 O 0.13405236996107 0.11886693062932 0.99993442398977 15.999 > 13 46 O 0.63405236996107 0.11886693062932 0.99993442398977 15.999 > 13 47 O 0.38405236996107 0.38113306937068 0.00006557601023 15.999 > 14 48 O 0.88405236996107 0.38113306937068 0.00006557601023 15.999 > 14 *49 O 0.25000000000000 0.49930106854782 0.74919237740985 15.999 > 15 50 O 0.75000000000000 0.49930106854782 0.74919237740985 15.999 > 15 51 O 0.25000000000000 0.00069893145218 0.24919237740985 15.999 > 16 52 O 0.75000000000000 0.00069893145218 0.24919237740985 15.999 > 16 *53 O 0.25000000000000 0.24531895482593 0.77218460400787 15.999 > 17 54 O 0.75000000000000 0.24531895482593 0.77218460400787 15.999 > 17 55 O 0.25000000000000 0.25468104517407 0.27218460400786 15.999 > 18 56 O 0.75000000000000 0.25468104517407 0.27218460400786 15.999 > 18 57 O 0.00000000000000 0.25468104517407 0.22781539599213 15.999 > 19 58 O 0.50000000000000 0.25468104517407 0.22781539599213 15.999 > 19 59 O 0.00000000000000 0.24531895482593 0.72781539599213 15.999 > 20 60 O 0.50000000000000 0.24531895482593 0.72781539599213 15.999 > 20 61 O 0.00000000000000 0.49930106854782 0.75080762259015 15.999 > 21 62 O 0.50000000000000 0.49930106854782 0.75080762259015 15.999 > 21 63 O 0.00000000000000 0.00069893145218 0.25080762259015 15.999 > 22 64 O 0.50000000000000 0.00069893145218 0.25080762259015 15.999 > 22 65 O 0.36594763003893 0.11886693062932 0.99993442398977 15.999 > 23 66 O 0.86594763003893 0.11886693062932 0.99993442398977 15.999 > 23 67 O 0.11594763003893 0.38113306937068 0.00006557601023 15.999 > 24 68 O 0.61594763003893 0.38113306937068 0.00006557601023 15.999 > 24 69 O 0.38405236996107 0.11886693062932 0.50006557601023 15.999 > 25 70 O 0.88405236996107 0.11886693062932 0.50006557601023 15.999 > 25 71 O 0.13405236996107 0.38113306937068 0.49993442398977 15.999 > 26 72 O 0.63405236996107 0.38113306937068 0.49993442398977 15.999 > 26 73 O 0.36594763003893 0.61886693062932 0.50006557601023 15.999 > 11 74 O 0.86594763003893 0.61886693062932 0.50006557601023 15.999 > 11 75 O 0.11594763003893 0.88113306937068 0.49993442398977 15.999 > 12 76 O 0.61594763003893 0.88113306937068 0.49993442398977 15.999 > 12 77 O 0.38405236996107 0.61886693062932 0.99993442398977 15.999 > 13 78 O 0.88405236996107 0.61886693062932 0.99993442398977 15.999 > 13 79 O 0.13405236996107 0.88113306937068 0.00006557601023 15.999 > 14 80 O 0.63405236996107 0.88113306937068 0.00006557601023 15.999 > 14 81 O 0.00000000000000 0.99930106854782 0.74919237740985 15.999 > 15 82 O 0.50000000000000 0.99930106854782 0.74919237740985 15.999 > 15 83 O 0.00000000000000 0.50069893145218 0.24919237740985 15.999 > 16 84 O 0.50000000000000 0.50069893145218 0.24919237740985 15.999 > 16 85 O 0.00000000000000 0.74531895482593 0.77218460400787 15.999 > 17 86 O 0.50000000000000 0.74531895482593 0.77218460400787 15.999 > 17 87 O 0.00000000000000 0.75468104517407 0.27218460400786 15.999 > 18 88 O 0.50000000000000 0.75468104517407 0.27218460400786 15.999 > 18 89 O 0.25000000000000 0.75468104517407 0.22781539599213 15.999 > 19 90 O 0.75000000000000 0.75468104517407 0.22781539599213 15.999 > 19 91 O 0.25000000000000 0.74531895482593 0.72781539599213 15.999 > 20 92 O 0.75000000000000 0.74531895482593 0.72781539599213 15.999 > 20 93 O 0.25000000000000 0.99930106854782 0.75080762259015 15.999 > 21 94 O 0.75000000000000 0.99930106854782 0.75080762259015 15.999 > 21 95 O 0.25000000000000 0.50069893145218 0.25080762259015 15.999 > 22 96 O 0.75000000000000 0.50069893145218 0.25080762259015 15.999 > 22 97 O 0.11594763003893 0.61886693062932 0.99993442398977 15.999 > 23 98 O 0.61594763003893 0.61886693062932 0.99993442398977 15.999 > 23 99 O 0.36594763003893 0.88113306937068 0.00006557601023 15.999 > 24 100 O 0.86594763003893 0.88113306937068 0.00006557601023 15.999 > 24 101 O 0.13405236996107 0.61886693062932 0.50006557601023 15.999 > 25 102 O 0.63405236996107 0.61886693062932 0.50006557601023 15.999 > 25 103 O 0.38405236996107 0.88113306937068 0.49993442398977 15.999 > 26 104 O 0.88405236996107 0.88113306937068 0.49993442398977 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2262288 0.0000000 0.0000000 0.0000000 3.2983517 0.0000000 0.0000000 0.0000000 3.2438148 -------------------------- Born effective charges -------------------------- 1 Mg 2.0130086 0.0000000 0.3954269 0.0000000 2.4624248 0.0000000 0.0074295 0.0000000 2.2772562 2 Mg 2.0130086 0.0000000 -0.3954269 0.0000000 2.4624248 0.0000000 -0.0074295 0.0000000 2.2772562 3 Mg 2.7412038 0.0000000 0.0000000 0.0000000 1.8611682 -0.2860855 0.0000000 -0.3241027 2.2796317 4 Mg 2.7412038 0.0000000 0.0000000 0.0000000 1.8611682 0.2860855 0.0000000 0.3241027 2.2796317 5 Mg 2.0130086 0.0000000 0.3954269 0.0000000 2.4624248 0.0000000 0.0074295 0.0000000 2.2772562 6 Mg 2.0130086 0.0000000 -0.3954269 0.0000000 2.4624248 0.0000000 -0.0074295 0.0000000 2.2772562 7 As 3.2572635 0.0000000 0.0000000 0.0000000 3.5145049 0.1183626 0.0000000 -0.0743086 3.3894276 8 As 3.2572635 0.0000000 0.0000000 0.0000000 3.5145049 0.1183626 0.0000000 -0.0743086 3.3894276 9 As 3.2572635 0.0000000 0.0000000 0.0000000 3.5145049 -0.1183626 0.0000000 0.0743086 3.3894276 10 As 3.2572635 0.0000000 0.0000000 0.0000000 3.5145049 -0.1183626 0.0000000 0.0743086 3.3894276 11 O -1.8903182 0.0816432 0.4869948 0.1482267 -1.2625823 -0.0563603 0.4261478 -0.0580766 -1.7388777 12 O -1.8903182 -0.0816432 -0.4869948 -0.1482267 -1.2625823 -0.0563603 -0.4261478 -0.0580766 -1.7388777 13 O -1.8903182 -0.0816432 0.4869948 -0.1482267 -1.2625823 0.0563603 0.4261478 0.0580766 -1.7388777 14 O -1.8903182 0.0816432 -0.4869948 0.1482267 -1.2625823 0.0563603 -0.4261478 0.0580766 -1.7388777 15 O -1.4188074 0.0000000 0.0000000 0.0000000 -2.1004530 0.6014280 0.0000000 0.6139872 -1.9584128 16 O -1.4188074 0.0000000 0.0000000 0.0000000 -2.1004530 -0.6014280 0.0000000 -0.6139872 -1.9584128 17 O -1.4414301 0.0000000 0.0000000 0.0000000 -2.2818961 0.4600578 0.0000000 0.5080987 -1.3703315 18 O -1.4414301 0.0000000 0.0000000 0.0000000 -2.2818961 -0.4600578 0.0000000 -0.5080987 -1.3703315 19 O -1.4414301 0.0000000 0.0000000 0.0000000 -2.2818961 0.4600578 0.0000000 0.5080987 -1.3703315 20 O -1.4414301 0.0000000 0.0000000 0.0000000 -2.2818961 -0.4600578 0.0000000 -0.5080987 -1.3703315 21 O -1.4188074 0.0000000 0.0000000 0.0000000 -2.1004530 -0.6014280 0.0000000 -0.6139872 -1.9584128 22 O -1.4188074 0.0000000 0.0000000 0.0000000 -2.1004530 0.6014280 0.0000000 0.6139872 -1.9584128 23 O -1.8903182 0.0816432 -0.4869948 0.1482267 -1.2625823 0.0563603 -0.4261478 0.0580766 -1.7388777 24 O -1.8903182 -0.0816432 0.4869948 -0.1482267 -1.2625823 0.0563603 0.4261478 0.0580766 -1.7388777 25 O -1.8903182 -0.0816432 -0.4869948 -0.1482267 -1.2625823 -0.0563603 -0.4261478 -0.0580766 -1.7388777 26 O -1.8903182 0.0816432 0.4869948 0.1482267 -1.2625823 -0.0563603 0.4261478 -0.0580766 -1.7388777 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 312/312 Permutation basis: 15018/15018 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1670 Number of blocks in projector: 1670 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: 386 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 236 Use standard eigh solver. Tree of FC basis block matrices: - (1670, 1636), data: False |-- (236, 230), data: True |-- (236, 230), data: True |-- (236, 230), data: True |-- (284, 282), data: True |-- (292, 288), data: True |-- (386, 376), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 2.232 Solver_block: 200 / 400 - Time: 2.237 Solver_block: 300 / 400 - Time: 2.229 Solver_block: 400 / 400 - Time: 2.230 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.977 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 15018/15018 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1670 Number of blocks in projector: 1670 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: 386 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 236 Use standard eigh solver. Tree of FC basis block matrices: - (1670, 1636), data: False |-- (236, 230), data: True |-- (236, 230), data: True |-- (236, 230), data: True |-- (284, 282), data: True |-- (292, 288), data: True |-- (386, 376), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:11:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:11:44]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.020192350000000 -5.646120940000001 0.000000000000000 b 3.020192350000000 5.646120940000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.219124510000000 Atomic positions (fractional): 1 Mg 0.38932904837930 0.11067095162070 0.75000000000000 24.305 2 Mg 0.11067095162070 0.38932904837930 0.25000000000000 24.305 3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 4 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 5 Mg 0.61067095162070 0.88932904837930 0.25000000000000 24.305 6 Mg 0.88932904837930 0.61067095162070 0.75000000000000 24.305 7 As 0.12029767473166 0.87970232526834 0.38483232360261 74.922 8 As 0.87970232526834 0.12029767473166 0.61516767639739 74.922 9 As 0.37970232526834 0.62029767473166 0.88483232360261 74.922 10 As 0.62029767473166 0.37970232526834 0.11516767639739 74.922 11 O 0.11302832944855 0.35076219070719 0.50006557601023 15.999 12 O 0.35076219070719 0.11302832944855 0.49993442398977 15.999 13 O 0.14923780929281 0.38697167055145 0.99993442398977 15.999 14 O 0.38697167055145 0.14923780929281 0.00006557601023 15.999 15 O 0.00069893145218 0.99930106854782 0.74919237740985 15.999 16 O 0.49930106854782 0.50069893145218 0.24919237740985 15.999 17 O 0.25468104517407 0.74531895482593 0.77218460400787 15.999 18 O 0.24531895482593 0.75468104517407 0.27218460400786 15.999 19 O 0.74531895482593 0.25468104517407 0.22781539599213 15.999 20 O 0.75468104517407 0.24531895482593 0.72781539599213 15.999 21 O 0.50069893145218 0.49930106854782 0.75080762259015 15.999 22 O 0.99930106854782 0.00069893145218 0.25080762259015 15.999 23 O 0.61302832944855 0.85076219070719 0.99993442398977 15.999 24 O 0.85076219070719 0.61302832944855 0.00006557601023 15.999 25 O 0.64923780929281 0.88697167055145 0.50006557601023 15.999 26 O 0.88697167055145 0.64923780929281 0.49993442398977 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.080769400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.292241880000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.219124510000000 Atomic positions (fractional): 1 Mg 0.37500000000000 0.36067095162070 0.75000000000000 24.305 > 1 2 Mg 0.87500000000000 0.36067095162070 0.75000000000000 24.305 > 1 3 Mg 0.12500000000000 0.13932904837930 0.25000000000000 24.305 > 3 4 Mg 0.62500000000000 0.13932904837930 0.25000000000000 24.305 > 3 5 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 5 6 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 5 7 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 7 8 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 7 9 Mg 0.37500000000000 0.13932904837930 0.25000000000000 24.305 > 9 10 Mg 0.87500000000000 0.13932904837930 0.25000000000000 24.305 > 9 11 Mg 0.12500000000000 0.36067095162070 0.75000000000000 24.305 > 11 12 Mg 0.62500000000000 0.36067095162070 0.75000000000000 24.305 > 11 13 Mg 0.12500000000000 0.86067095162070 0.75000000000000 24.305 > 1 14 Mg 0.62500000000000 0.86067095162070 0.75000000000000 24.305 > 1 15 Mg 0.37500000000000 0.63932904837930 0.25000000000000 24.305 > 3 16 Mg 0.87500000000000 0.63932904837930 0.25000000000000 24.305 > 3 17 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 5 18 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 5 19 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 7 20 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 7 21 Mg 0.12500000000000 0.63932904837930 0.25000000000000 24.305 > 9 22 Mg 0.62500000000000 0.63932904837930 0.25000000000000 24.305 > 9 23 Mg 0.37500000000000 0.86067095162070 0.75000000000000 24.305 > 11 24 Mg 0.87500000000000 0.86067095162070 0.75000000000000 24.305 > 11 25 As 0.25000000000000 0.37970232526834 0.38483232360261 74.922 > 25 26 As 0.75000000000000 0.37970232526834 0.38483232360261 74.922 > 25 27 As 0.00000000000000 0.12029767473166 0.61516767639739 74.922 > 27 28 As 0.50000000000000 0.12029767473166 0.61516767639739 74.922 > 27 29 As 0.25000000000000 0.12029767473166 0.88483232360261 74.922 > 29 30 As 0.75000000000000 0.12029767473166 0.88483232360261 74.922 > 29 31 As 0.00000000000000 0.37970232526834 0.11516767639739 74.922 > 31 32 As 0.50000000000000 0.37970232526834 0.11516767639739 74.922 > 31 33 As 0.00000000000000 0.87970232526834 0.38483232360261 74.922 > 25 34 As 0.50000000000000 0.87970232526834 0.38483232360261 74.922 > 25 35 As 0.25000000000000 0.62029767473166 0.61516767639739 74.922 > 27 36 As 0.75000000000000 0.62029767473166 0.61516767639739 74.922 > 27 37 As 0.00000000000000 0.62029767473166 0.88483232360261 74.922 > 29 38 As 0.50000000000000 0.62029767473166 0.88483232360261 74.922 > 29 39 As 0.25000000000000 0.87970232526834 0.11516767639739 74.922 > 31 40 As 0.75000000000000 0.87970232526834 0.11516767639739 74.922 > 31 41 O 0.11594763003893 0.11886693062932 0.50006557601023 15.999 > 41 42 O 0.61594763003893 0.11886693062932 0.50006557601023 15.999 > 41 43 O 0.36594763003893 0.38113306937068 0.49993442398977 15.999 > 43 44 O 0.86594763003893 0.38113306937068 0.49993442398977 15.999 > 43 45 O 0.13405236996107 0.11886693062932 0.99993442398977 15.999 > 45 46 O 0.63405236996107 0.11886693062932 0.99993442398977 15.999 > 45 47 O 0.38405236996107 0.38113306937068 0.00006557601023 15.999 > 47 48 O 0.88405236996107 0.38113306937068 0.00006557601023 15.999 > 47 49 O 0.25000000000000 0.49930106854782 0.74919237740985 15.999 > 49 50 O 0.75000000000000 0.49930106854782 0.74919237740985 15.999 > 49 51 O 0.25000000000000 0.00069893145218 0.24919237740985 15.999 > 51 52 O 0.75000000000000 0.00069893145218 0.24919237740985 15.999 > 51 53 O 0.25000000000000 0.24531895482593 0.77218460400787 15.999 > 53 54 O 0.75000000000000 0.24531895482593 0.77218460400787 15.999 > 53 55 O 0.25000000000000 0.25468104517407 0.27218460400786 15.999 > 55 56 O 0.75000000000000 0.25468104517407 0.27218460400786 15.999 > 55 57 O 0.00000000000000 0.25468104517407 0.22781539599213 15.999 > 57 58 O 0.50000000000000 0.25468104517407 0.22781539599213 15.999 > 57 59 O 0.00000000000000 0.24531895482593 0.72781539599213 15.999 > 59 60 O 0.50000000000000 0.24531895482593 0.72781539599213 15.999 > 59 61 O 0.00000000000000 0.49930106854782 0.75080762259015 15.999 > 61 62 O 0.50000000000000 0.49930106854782 0.75080762259015 15.999 > 61 63 O 0.00000000000000 0.00069893145218 0.25080762259015 15.999 > 63 64 O 0.50000000000000 0.00069893145218 0.25080762259015 15.999 > 63 65 O 0.36594763003893 0.11886693062932 0.99993442398977 15.999 > 65 66 O 0.86594763003893 0.11886693062932 0.99993442398977 15.999 > 65 67 O 0.11594763003893 0.38113306937068 0.00006557601023 15.999 > 67 68 O 0.61594763003893 0.38113306937068 0.00006557601023 15.999 > 67 69 O 0.38405236996107 0.11886693062932 0.50006557601023 15.999 > 69 70 O 0.88405236996107 0.11886693062932 0.50006557601023 15.999 > 69 71 O 0.13405236996107 0.38113306937068 0.49993442398977 15.999 > 71 72 O 0.63405236996107 0.38113306937068 0.49993442398977 15.999 > 71 73 O 0.36594763003893 0.61886693062932 0.50006557601023 15.999 > 41 74 O 0.86594763003893 0.61886693062932 0.50006557601023 15.999 > 41 75 O 0.11594763003893 0.88113306937068 0.49993442398977 15.999 > 43 76 O 0.61594763003893 0.88113306937068 0.49993442398977 15.999 > 43 77 O 0.38405236996107 0.61886693062932 0.99993442398977 15.999 > 45 78 O 0.88405236996107 0.61886693062932 0.99993442398977 15.999 > 45 79 O 0.13405236996107 0.88113306937068 0.00006557601023 15.999 > 47 80 O 0.63405236996107 0.88113306937068 0.00006557601023 15.999 > 47 81 O 0.00000000000000 0.99930106854782 0.74919237740985 15.999 > 49 82 O 0.50000000000000 0.99930106854782 0.74919237740985 15.999 > 49 83 O 0.00000000000000 0.50069893145218 0.24919237740985 15.999 > 51 84 O 0.50000000000000 0.50069893145218 0.24919237740985 15.999 > 51 85 O 0.00000000000000 0.74531895482593 0.77218460400787 15.999 > 53 86 O 0.50000000000000 0.74531895482593 0.77218460400787 15.999 > 53 87 O 0.00000000000000 0.75468104517407 0.27218460400786 15.999 > 55 88 O 0.50000000000000 0.75468104517407 0.27218460400786 15.999 > 55 89 O 0.25000000000000 0.75468104517407 0.22781539599213 15.999 > 57 90 O 0.75000000000000 0.75468104517407 0.22781539599213 15.999 > 57 91 O 0.25000000000000 0.74531895482593 0.72781539599213 15.999 > 59 92 O 0.75000000000000 0.74531895482593 0.72781539599213 15.999 > 59 93 O 0.25000000000000 0.99930106854782 0.75080762259015 15.999 > 61 94 O 0.75000000000000 0.99930106854782 0.75080762259015 15.999 > 61 95 O 0.25000000000000 0.50069893145218 0.25080762259015 15.999 > 63 96 O 0.75000000000000 0.50069893145218 0.25080762259015 15.999 > 63 97 O 0.11594763003893 0.61886693062932 0.99993442398977 15.999 > 65 98 O 0.61594763003893 0.61886693062932 0.99993442398977 15.999 > 65 99 O 0.36594763003893 0.88113306937068 0.00006557601023 15.999 > 67 100 O 0.86594763003893 0.88113306937068 0.00006557601023 15.999 > 67 101 O 0.13405236996107 0.61886693062932 0.50006557601023 15.999 > 69 102 O 0.63405236996107 0.61886693062932 0.50006557601023 15.999 > 69 103 O 0.38405236996107 0.88113306937068 0.49993442398977 15.999 > 71 104 O 0.88405236996107 0.88113306937068 0.49993442398977 15.999 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2262288 0.0000000 0.0000000 0.0000000 3.2983517 0.0000000 0.0000000 0.0000000 3.2438148 -------------------------- Born effective charges -------------------------- 1 Mg 2.0130086 0.0000000 0.3954269 0.0000000 2.4624248 0.0000000 0.0074295 0.0000000 2.2772562 2 Mg 2.0130086 0.0000000 -0.3954269 0.0000000 2.4624248 0.0000000 -0.0074295 0.0000000 2.2772562 3 Mg 2.7412038 0.0000000 0.0000000 0.0000000 1.8611682 -0.2860855 0.0000000 -0.3241027 2.2796317 4 Mg 2.7412038 0.0000000 0.0000000 0.0000000 1.8611682 0.2860855 0.0000000 0.3241027 2.2796317 5 Mg 2.0130086 0.0000000 0.3954269 0.0000000 2.4624248 0.0000000 0.0074295 0.0000000 2.2772562 6 Mg 2.0130086 0.0000000 -0.3954269 0.0000000 2.4624248 0.0000000 -0.0074295 0.0000000 2.2772562 7 As 3.2572635 0.0000000 0.0000000 0.0000000 3.5145049 0.1183626 0.0000000 -0.0743086 3.3894276 8 As 3.2572635 0.0000000 0.0000000 0.0000000 3.5145049 0.1183626 0.0000000 -0.0743086 3.3894276 9 As 3.2572635 0.0000000 0.0000000 0.0000000 3.5145049 -0.1183626 0.0000000 0.0743086 3.3894276 10 As 3.2572635 0.0000000 0.0000000 0.0000000 3.5145049 -0.1183626 0.0000000 0.0743086 3.3894276 11 O -1.8903182 0.0816432 0.4869948 0.1482267 -1.2625823 -0.0563603 0.4261478 -0.0580766 -1.7388777 12 O -1.8903182 -0.0816432 -0.4869948 -0.1482267 -1.2625823 -0.0563603 -0.4261478 -0.0580766 -1.7388777 13 O -1.8903182 -0.0816432 0.4869948 -0.1482267 -1.2625823 0.0563603 0.4261478 0.0580766 -1.7388777 14 O -1.8903182 0.0816432 -0.4869948 0.1482267 -1.2625823 0.0563603 -0.4261478 0.0580766 -1.7388777 15 O -1.4188074 0.0000000 0.0000000 0.0000000 -2.1004530 0.6014280 0.0000000 0.6139872 -1.9584128 16 O -1.4188074 0.0000000 0.0000000 0.0000000 -2.1004530 -0.6014280 0.0000000 -0.6139872 -1.9584128 17 O -1.4414301 0.0000000 0.0000000 0.0000000 -2.2818961 0.4600578 0.0000000 0.5080987 -1.3703315 18 O -1.4414301 0.0000000 0.0000000 0.0000000 -2.2818961 -0.4600578 0.0000000 -0.5080987 -1.3703315 19 O -1.4414301 0.0000000 0.0000000 0.0000000 -2.2818961 0.4600578 0.0000000 0.5080987 -1.3703315 20 O -1.4414301 0.0000000 0.0000000 0.0000000 -2.2818961 -0.4600578 0.0000000 -0.5080987 -1.3703315 21 O -1.4188074 0.0000000 0.0000000 0.0000000 -2.1004530 -0.6014280 0.0000000 -0.6139872 -1.9584128 22 O -1.4188074 0.0000000 0.0000000 0.0000000 -2.1004530 0.6014280 0.0000000 0.6139872 -1.9584128 23 O -1.8903182 0.0816432 -0.4869948 0.1482267 -1.2625823 0.0563603 -0.4261478 0.0580766 -1.7388777 24 O -1.8903182 -0.0816432 0.4869948 -0.1482267 -1.2625823 0.0563603 0.4261478 0.0580766 -1.7388777 25 O -1.8903182 -0.0816432 -0.4869948 -0.1482267 -1.2625823 -0.0563603 -0.4261478 -0.0580766 -1.7388777 26 O -1.8903182 0.0816432 0.4869948 0.1482267 -1.2625823 -0.0563603 0.4261478 -0.0580766 -1.7388777 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:12:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:12:04]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.020192350000000 -5.646120940000001 0.000000000000000 b 3.020192350000000 5.646120940000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.219124510000000 Atomic positions (fractional): 1 Mg 0.38932904837930 0.11067095162070 0.75000000000000 24.305 2 Mg 0.11067095162070 0.38932904837930 0.25000000000000 24.305 3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 4 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 5 Mg 0.61067095162070 0.88932904837930 0.25000000000000 24.305 6 Mg 0.88932904837930 0.61067095162070 0.75000000000000 24.305 7 As 0.12029767473166 0.87970232526834 0.38483232360261 74.922 8 As 0.87970232526834 0.12029767473166 0.61516767639739 74.922 9 As 0.37970232526834 0.62029767473166 0.88483232360261 74.922 10 As 0.62029767473166 0.37970232526834 0.11516767639739 74.922 11 O 0.11302832944855 0.35076219070719 0.50006557601023 15.999 12 O 0.35076219070719 0.11302832944855 0.49993442398977 15.999 13 O 0.14923780929281 0.38697167055145 0.99993442398977 15.999 14 O 0.38697167055145 0.14923780929281 0.00006557601023 15.999 15 O 0.00069893145218 0.99930106854782 0.74919237740985 15.999 16 O 0.49930106854782 0.50069893145218 0.24919237740985 15.999 17 O 0.25468104517407 0.74531895482593 0.77218460400787 15.999 18 O 0.24531895482593 0.75468104517407 0.27218460400786 15.999 19 O 0.74531895482593 0.25468104517407 0.22781539599213 15.999 20 O 0.75468104517407 0.24531895482593 0.72781539599213 15.999 21 O 0.50069893145218 0.49930106854782 0.75080762259015 15.999 22 O 0.99930106854782 0.00069893145218 0.25080762259015 15.999 23 O 0.61302832944855 0.85076219070719 0.99993442398977 15.999 24 O 0.85076219070719 0.61302832944855 0.00006557601023 15.999 25 O 0.64923780929281 0.88697167055145 0.50006557601023 15.999 26 O 0.88697167055145 0.64923780929281 0.49993442398977 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.080769400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.292241880000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.219124510000000 Atomic positions (fractional): 1 Mg 0.37500000000000 0.36067095162070 0.75000000000000 24.305 > 1 2 Mg 0.87500000000000 0.36067095162070 0.75000000000000 24.305 > 1 3 Mg 0.12500000000000 0.13932904837930 0.25000000000000 24.305 > 3 4 Mg 0.62500000000000 0.13932904837930 0.25000000000000 24.305 > 3 5 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 5 6 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 5 7 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 7 8 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 7 9 Mg 0.37500000000000 0.13932904837930 0.25000000000000 24.305 > 9 10 Mg 0.87500000000000 0.13932904837930 0.25000000000000 24.305 > 9 11 Mg 0.12500000000000 0.36067095162070 0.75000000000000 24.305 > 11 12 Mg 0.62500000000000 0.36067095162070 0.75000000000000 24.305 > 11 13 Mg 0.12500000000000 0.86067095162070 0.75000000000000 24.305 > 1 14 Mg 0.62500000000000 0.86067095162070 0.75000000000000 24.305 > 1 15 Mg 0.37500000000000 0.63932904837930 0.25000000000000 24.305 > 3 16 Mg 0.87500000000000 0.63932904837930 0.25000000000000 24.305 > 3 17 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 5 18 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 5 19 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 7 20 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 7 21 Mg 0.12500000000000 0.63932904837930 0.25000000000000 24.305 > 9 22 Mg 0.62500000000000 0.63932904837930 0.25000000000000 24.305 > 9 23 Mg 0.37500000000000 0.86067095162070 0.75000000000000 24.305 > 11 24 Mg 0.87500000000000 0.86067095162070 0.75000000000000 24.305 > 11 25 As 0.25000000000000 0.37970232526834 0.38483232360261 74.922 > 25 26 As 0.75000000000000 0.37970232526834 0.38483232360261 74.922 > 25 27 As 0.00000000000000 0.12029767473166 0.61516767639739 74.922 > 27 28 As 0.50000000000000 0.12029767473166 0.61516767639739 74.922 > 27 29 As 0.25000000000000 0.12029767473166 0.88483232360261 74.922 > 29 30 As 0.75000000000000 0.12029767473166 0.88483232360261 74.922 > 29 31 As 0.00000000000000 0.37970232526834 0.11516767639739 74.922 > 31 32 As 0.50000000000000 0.37970232526834 0.11516767639739 74.922 > 31 33 As 0.00000000000000 0.87970232526834 0.38483232360261 74.922 > 25 34 As 0.50000000000000 0.87970232526834 0.38483232360261 74.922 > 25 35 As 0.25000000000000 0.62029767473166 0.61516767639739 74.922 > 27 36 As 0.75000000000000 0.62029767473166 0.61516767639739 74.922 > 27 37 As 0.00000000000000 0.62029767473166 0.88483232360261 74.922 > 29 38 As 0.50000000000000 0.62029767473166 0.88483232360261 74.922 > 29 39 As 0.25000000000000 0.87970232526834 0.11516767639739 74.922 > 31 40 As 0.75000000000000 0.87970232526834 0.11516767639739 74.922 > 31 41 O 0.11594763003893 0.11886693062932 0.50006557601023 15.999 > 41 42 O 0.61594763003893 0.11886693062932 0.50006557601023 15.999 > 41 43 O 0.36594763003893 0.38113306937068 0.49993442398977 15.999 > 43 44 O 0.86594763003893 0.38113306937068 0.49993442398977 15.999 > 43 45 O 0.13405236996107 0.11886693062932 0.99993442398977 15.999 > 45 46 O 0.63405236996107 0.11886693062932 0.99993442398977 15.999 > 45 47 O 0.38405236996107 0.38113306937068 0.00006557601023 15.999 > 47 48 O 0.88405236996107 0.38113306937068 0.00006557601023 15.999 > 47 49 O 0.25000000000000 0.49930106854782 0.74919237740985 15.999 > 49 50 O 0.75000000000000 0.49930106854782 0.74919237740985 15.999 > 49 51 O 0.25000000000000 0.00069893145218 0.24919237740985 15.999 > 51 52 O 0.75000000000000 0.00069893145218 0.24919237740985 15.999 > 51 53 O 0.25000000000000 0.24531895482593 0.77218460400787 15.999 > 53 54 O 0.75000000000000 0.24531895482593 0.77218460400787 15.999 > 53 55 O 0.25000000000000 0.25468104517407 0.27218460400786 15.999 > 55 56 O 0.75000000000000 0.25468104517407 0.27218460400786 15.999 > 55 57 O 0.00000000000000 0.25468104517407 0.22781539599213 15.999 > 57 58 O 0.50000000000000 0.25468104517407 0.22781539599213 15.999 > 57 59 O 0.00000000000000 0.24531895482593 0.72781539599213 15.999 > 59 60 O 0.50000000000000 0.24531895482593 0.72781539599213 15.999 > 59 61 O 0.00000000000000 0.49930106854782 0.75080762259015 15.999 > 61 62 O 0.50000000000000 0.49930106854782 0.75080762259015 15.999 > 61 63 O 0.00000000000000 0.00069893145218 0.25080762259015 15.999 > 63 64 O 0.50000000000000 0.00069893145218 0.25080762259015 15.999 > 63 65 O 0.36594763003893 0.11886693062932 0.99993442398977 15.999 > 65 66 O 0.86594763003893 0.11886693062932 0.99993442398977 15.999 > 65 67 O 0.11594763003893 0.38113306937068 0.00006557601023 15.999 > 67 68 O 0.61594763003893 0.38113306937068 0.00006557601023 15.999 > 67 69 O 0.38405236996107 0.11886693062932 0.50006557601023 15.999 > 69 70 O 0.88405236996107 0.11886693062932 0.50006557601023 15.999 > 69 71 O 0.13405236996107 0.38113306937068 0.49993442398977 15.999 > 71 72 O 0.63405236996107 0.38113306937068 0.49993442398977 15.999 > 71 73 O 0.36594763003893 0.61886693062932 0.50006557601023 15.999 > 41 74 O 0.86594763003893 0.61886693062932 0.50006557601023 15.999 > 41 75 O 0.11594763003893 0.88113306937068 0.49993442398977 15.999 > 43 76 O 0.61594763003893 0.88113306937068 0.49993442398977 15.999 > 43 77 O 0.38405236996107 0.61886693062932 0.99993442398977 15.999 > 45 78 O 0.88405236996107 0.61886693062932 0.99993442398977 15.999 > 45 79 O 0.13405236996107 0.88113306937068 0.00006557601023 15.999 > 47 80 O 0.63405236996107 0.88113306937068 0.00006557601023 15.999 > 47 81 O 0.00000000000000 0.99930106854782 0.74919237740985 15.999 > 49 82 O 0.50000000000000 0.99930106854782 0.74919237740985 15.999 > 49 83 O 0.00000000000000 0.50069893145218 0.24919237740985 15.999 > 51 84 O 0.50000000000000 0.50069893145218 0.24919237740985 15.999 > 51 85 O 0.00000000000000 0.74531895482593 0.77218460400787 15.999 > 53 86 O 0.50000000000000 0.74531895482593 0.77218460400787 15.999 > 53 87 O 0.00000000000000 0.75468104517407 0.27218460400786 15.999 > 55 88 O 0.50000000000000 0.75468104517407 0.27218460400786 15.999 > 55 89 O 0.25000000000000 0.75468104517407 0.22781539599213 15.999 > 57 90 O 0.75000000000000 0.75468104517407 0.22781539599213 15.999 > 57 91 O 0.25000000000000 0.74531895482593 0.72781539599213 15.999 > 59 92 O 0.75000000000000 0.74531895482593 0.72781539599213 15.999 > 59 93 O 0.25000000000000 0.99930106854782 0.75080762259015 15.999 > 61 94 O 0.75000000000000 0.99930106854782 0.75080762259015 15.999 > 61 95 O 0.25000000000000 0.50069893145218 0.25080762259015 15.999 > 63 96 O 0.75000000000000 0.50069893145218 0.25080762259015 15.999 > 63 97 O 0.11594763003893 0.61886693062932 0.99993442398977 15.999 > 65 98 O 0.61594763003893 0.61886693062932 0.99993442398977 15.999 > 65 99 O 0.36594763003893 0.88113306937068 0.00006557601023 15.999 > 67 100 O 0.86594763003893 0.88113306937068 0.00006557601023 15.999 > 67 101 O 0.13405236996107 0.61886693062932 0.50006557601023 15.999 > 69 102 O 0.63405236996107 0.61886693062932 0.50006557601023 15.999 > 69 103 O 0.38405236996107 0.88113306937068 0.49993442398977 15.999 > 71 104 O 0.88405236996107 0.88113306937068 0.49993442398977 15.999 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2262288 0.0000000 0.0000000 0.0000000 3.2983517 0.0000000 0.0000000 0.0000000 3.2438148 -------------------------- Born effective charges -------------------------- 1 Mg 2.0130086 0.0000000 0.3954269 0.0000000 2.4624248 0.0000000 0.0074295 0.0000000 2.2772562 2 Mg 2.0130086 0.0000000 -0.3954269 0.0000000 2.4624248 0.0000000 -0.0074295 0.0000000 2.2772562 3 Mg 2.7412038 0.0000000 0.0000000 0.0000000 1.8611682 -0.2860855 0.0000000 -0.3241027 2.2796317 4 Mg 2.7412038 0.0000000 0.0000000 0.0000000 1.8611682 0.2860855 0.0000000 0.3241027 2.2796317 5 Mg 2.0130086 0.0000000 0.3954269 0.0000000 2.4624248 0.0000000 0.0074295 0.0000000 2.2772562 6 Mg 2.0130086 0.0000000 -0.3954269 0.0000000 2.4624248 0.0000000 -0.0074295 0.0000000 2.2772562 7 As 3.2572635 0.0000000 0.0000000 0.0000000 3.5145049 0.1183626 0.0000000 -0.0743086 3.3894276 8 As 3.2572635 0.0000000 0.0000000 0.0000000 3.5145049 0.1183626 0.0000000 -0.0743086 3.3894276 9 As 3.2572635 0.0000000 0.0000000 0.0000000 3.5145049 -0.1183626 0.0000000 0.0743086 3.3894276 10 As 3.2572635 0.0000000 0.0000000 0.0000000 3.5145049 -0.1183626 0.0000000 0.0743086 3.3894276 11 O -1.8903182 0.0816432 0.4869948 0.1482267 -1.2625823 -0.0563603 0.4261478 -0.0580766 -1.7388777 12 O -1.8903182 -0.0816432 -0.4869948 -0.1482267 -1.2625823 -0.0563603 -0.4261478 -0.0580766 -1.7388777 13 O -1.8903182 -0.0816432 0.4869948 -0.1482267 -1.2625823 0.0563603 0.4261478 0.0580766 -1.7388777 14 O -1.8903182 0.0816432 -0.4869948 0.1482267 -1.2625823 0.0563603 -0.4261478 0.0580766 -1.7388777 15 O -1.4188074 0.0000000 0.0000000 0.0000000 -2.1004530 0.6014280 0.0000000 0.6139872 -1.9584128 16 O -1.4188074 0.0000000 0.0000000 0.0000000 -2.1004530 -0.6014280 0.0000000 -0.6139872 -1.9584128 17 O -1.4414301 0.0000000 0.0000000 0.0000000 -2.2818961 0.4600578 0.0000000 0.5080987 -1.3703315 18 O -1.4414301 0.0000000 0.0000000 0.0000000 -2.2818961 -0.4600578 0.0000000 -0.5080987 -1.3703315 19 O -1.4414301 0.0000000 0.0000000 0.0000000 -2.2818961 0.4600578 0.0000000 0.5080987 -1.3703315 20 O -1.4414301 0.0000000 0.0000000 0.0000000 -2.2818961 -0.4600578 0.0000000 -0.5080987 -1.3703315 21 O -1.4188074 0.0000000 0.0000000 0.0000000 -2.1004530 -0.6014280 0.0000000 -0.6139872 -1.9584128 22 O -1.4188074 0.0000000 0.0000000 0.0000000 -2.1004530 0.6014280 0.0000000 0.6139872 -1.9584128 23 O -1.8903182 0.0816432 -0.4869948 0.1482267 -1.2625823 0.0563603 -0.4261478 0.0580766 -1.7388777 24 O -1.8903182 -0.0816432 0.4869948 -0.1482267 -1.2625823 0.0563603 0.4261478 0.0580766 -1.7388777 25 O -1.8903182 -0.0816432 -0.4869948 -0.1482267 -1.2625823 -0.0563603 -0.4261478 -0.0580766 -1.7388777 26 O -1.8903182 0.0816432 0.4869948 0.1482267 -1.2625823 -0.0563603 0.4261478 -0.0580766 -1.7388777 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 295, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| -0.000 ( 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 4.077 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 5.624 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.731 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.193 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.432 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 7.633 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 7.751 ( 0.000 0.000 0.000) 0.000 8.196 ( 0.000 0.000 0.000) 0.000 8.542 ( 0.000 0.000 0.000) 0.000 8.670 ( 0.000 0.000 0.000) 0.000 8.682 ( 0.000 0.000 0.000) 0.000 8.732 ( 0.000 0.000 0.000) 0.000 8.760 ( 0.000 0.000 0.000) 0.000 8.990 ( 0.000 0.000 0.000) 0.000 9.122 ( 0.000 0.000 0.000) 0.000 9.137 ( 0.000 0.000 0.000) 0.000 9.571 ( 0.000 0.000 0.000) 0.000 9.620 ( 0.000 0.000 0.000) 0.000 9.737 ( 0.000 0.000 0.000) 0.000 9.815 ( 0.000 0.000 0.000) 0.000 10.119 ( 0.000 0.000 0.000) 0.000 10.273 ( 0.000 0.000 0.000) 0.000 10.768 ( 0.000 0.000 0.000) 0.000 10.778 ( 0.000 0.000 0.000) 0.000 11.198 ( 0.000 0.000 0.000) 0.000 11.404 ( 0.000 0.000 0.000) 0.000 11.714 ( 0.000 0.000 0.000) 0.000 11.743 ( 0.000 0.000 0.000) 0.000 11.995 ( 0.000 0.000 0.000) 0.000 12.284 ( 0.000 0.000 0.000) 0.000 12.577 ( 0.000 0.000 0.000) 0.000 12.667 ( 0.000 0.000 0.000) 0.000 12.764 ( 0.000 0.000 0.000) 0.000 13.194 ( 0.000 0.000 0.000) 0.000 13.517 ( 0.000 0.000 0.000) 0.000 13.554 ( 0.000 0.000 0.000) 0.000 13.585 ( 0.000 0.000 0.000) 0.000 13.665 ( 0.000 0.000 0.000) 0.000 14.331 ( 0.000 0.000 0.000) 0.000 14.578 ( 0.000 0.000 0.000) 0.000 14.598 ( 0.000 0.000 0.000) 0.000 14.728 ( 0.000 0.000 0.000) 0.000 14.848 ( 0.000 0.000 0.000) 0.000 15.031 ( 0.000 0.000 0.000) 0.000 15.166 ( 0.000 0.000 0.000) 0.000 15.682 ( 0.000 0.000 0.000) 0.000 15.968 ( 0.000 0.000 0.000) 0.000 19.659 ( 0.000 0.000 0.000) 0.000 19.872 ( 0.000 0.000 0.000) 0.000 19.977 ( 0.000 0.000 0.000) 0.000 21.126 ( 0.000 0.000 0.000) 0.000 23.027 ( 0.000 0.000 0.000) 0.000 23.202 ( 0.000 0.000 0.000) 0.000 23.343 ( 0.000 0.000 0.000) 0.000 23.377 ( 0.000 0.000 0.000) 0.000 23.574 ( 0.000 0.000 0.000) 0.000 23.792 ( 0.000 0.000 0.000) 0.000 24.005 ( 0.000 0.000 0.000) 0.000 24.460 ( 0.000 0.000 0.000) 0.000 24.528 ( 0.000 0.000 0.000) 0.000 24.672 ( 0.000 0.000 0.000) 0.000 24.860 ( 0.000 0.000 0.000) 0.000 25.182 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 32.627 -27.535 0.000) 42.693 0.937 ( 41.125 -17.204 0.000) 44.578 1.425 ( 59.654 -30.960 0.000) 67.210 4.110 ( -0.167 -4.690 0.000) 4.693 4.307 ( -3.565 -2.422 0.000) 4.310 4.390 ( -6.914 1.091 0.000) 6.999 4.590 ( 5.826 -0.033 0.000) 5.826 4.971 ( 3.319 4.058 0.000) 5.242 5.259 ( -2.903 -4.986 0.000) 5.769 5.581 ( -2.023 3.207 0.000) 3.791 5.602 ( -2.091 4.189 0.000) 4.682 5.661 ( -3.927 1.583 0.000) 4.234 5.772 ( 5.244 -1.629 0.000) 5.492 5.987 ( -11.903 -0.664 0.000) 11.921 5.998 ( 12.626 1.126 0.000) 12.676 6.137 ( -6.392 -5.549 0.000) 8.465 6.401 ( 8.492 11.208 0.000) 14.062 6.678 ( 10.681 0.706 0.000) 10.704 6.682 ( 15.107 -15.264 0.000) 21.476 7.598 ( 1.875 9.692 0.000) 9.872 7.750 ( 6.967 11.626 0.000) 13.554 7.795 ( -0.597 -8.979 0.000) 8.999 8.173 ( -0.945 4.929 0.000) 5.019 8.275 ( -16.194 10.902 0.000) 19.522 8.508 ( -19.842 -0.798 0.000) 19.858 8.560 ( -13.883 -7.665 0.000) 15.859 8.785 ( 8.643 2.120 0.000) 8.899 8.909 ( 4.409 3.997 0.000) 5.951 9.205 ( 11.315 2.789 0.000) 11.654 9.266 ( 9.008 0.588 0.000) 9.027 9.572 ( -3.592 2.236 0.000) 4.231 9.694 ( 12.020 -2.740 0.000) 12.328 9.801 ( 5.844 -8.209 0.000) 10.076 9.815 ( 0.348 1.413 0.000) 1.455 10.040 ( 9.477 -4.059 0.000) 10.310 10.213 ( -5.378 2.129 0.000) 5.784 10.271 ( 0.807 -20.565 0.000) 20.581 10.766 ( 3.116 8.602 0.000) 9.149 10.806 ( 1.055 -5.301 0.000) 5.405 11.360 ( -2.777 4.382 0.000) 5.188 11.536 ( 3.787 13.585 0.000) 14.103 11.669 ( -7.192 0.062 0.000) 7.192 11.916 ( -5.109 4.472 0.000) 6.790 12.258 ( -7.959 -9.901 0.000) 12.704 12.306 ( -26.085 -27.628 0.000) 37.997 12.584 ( 0.123 -0.421 0.000) 0.439 12.651 ( -8.026 -7.501 0.000) 10.985 12.804 ( 0.862 -4.893 0.000) 4.968 13.066 ( -13.432 -3.493 0.000) 13.879 13.467 ( -8.730 -1.056 0.000) 8.794 13.547 ( 4.522 -0.576 0.000) 4.558 13.617 ( 2.460 1.285 0.000) 2.776 13.709 ( 2.452 -1.837 0.000) 3.063 14.325 ( 1.317 4.921 0.000) 5.094 14.527 ( -5.422 5.176 0.000) 7.496 14.554 ( -4.265 0.777 0.000) 4.335 14.720 ( -0.557 -9.466 0.000) 9.483 15.081 ( -8.042 0.951 0.000) 8.098 15.200 ( 16.603 3.305 0.000) 16.929 15.706 ( 2.393 -0.592 0.000) 2.465 16.027 ( 4.813 -1.448 0.000) 5.026 16.470 ( 28.479 53.222 0.000) 60.363 19.663 ( 0.627 0.113 0.000) 0.637 19.890 ( 2.686 1.415 0.000) 3.036 20.393 ( -36.897 -65.832 0.000) 75.467 21.005 ( -9.783 5.051 0.000) 11.010 23.068 ( 3.718 -1.054 0.000) 3.865 23.155 ( -3.967 -0.281 0.000) 3.977 23.362 ( -1.476 0.068 0.000) 1.478 23.536 ( -2.953 -0.594 0.000) 3.012 23.817 ( 6.542 7.880 0.000) 10.242 24.165 ( 10.524 -6.399 0.000) 12.317 24.446 ( 9.267 16.172 0.000) 18.639 24.486 ( 2.590 -1.013 0.000) 2.781 24.624 ( 1.793 12.853 0.000) 12.978 24.888 ( 3.700 1.153 0.000) 3.876 24.947 ( 8.966 15.992 0.000) 18.334 26.145 ( -14.453 -19.640 0.000) 24.385 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 32.229 -25.080 0.000) 40.838 1.841 ( 39.839 -14.747 0.000) 42.481 2.777 ( 53.993 -29.652 0.000) 61.599 4.105 ( -2.150 -0.786 0.000) 2.289 4.252 ( -7.965 -2.935 0.000) 8.488 4.370 ( 0.987 -13.980 0.000) 14.015 4.687 ( 4.094 3.155 0.000) 5.169 4.963 ( 2.369 10.059 0.000) 10.334 5.119 ( -17.769 -4.800 0.000) 18.406 5.467 ( -2.235 8.364 0.000) 8.658 5.473 ( -7.168 -0.661 0.000) 7.198 5.597 ( -3.916 1.896 0.000) 4.350 5.810 ( -6.566 -0.106 0.000) 6.567 5.869 ( 5.790 -0.497 0.000) 5.812 6.193 ( 3.663 -2.763 0.000) 4.588 6.330 ( 20.528 -2.509 0.000) 20.680 6.469 ( 10.807 10.043 0.000) 14.754 6.883 ( 12.142 0.043 0.000) 12.142 7.115 ( 12.888 -14.054 0.000) 19.069 7.530 ( 0.916 8.326 0.000) 8.377 7.691 ( 2.706 20.637 0.000) 20.813 7.804 ( -14.404 6.207 0.000) 15.685 7.921 ( -1.677 -3.264 0.000) 3.669 8.007 ( -6.013 7.845 0.000) 9.884 8.345 ( 1.375 -1.530 0.000) 2.057 8.358 ( -17.560 -10.755 0.000) 20.592 8.920 ( 7.443 0.859 0.000) 7.492 8.930 ( -3.407 -0.860 0.000) 3.514 9.339 ( 4.583 4.416 0.000) 6.364 9.413 ( 12.069 7.250 0.000) 14.079 9.499 ( 2.734 3.382 0.000) 4.349 9.879 ( 8.688 0.349 0.000) 8.695 10.013 ( 16.159 -5.159 0.000) 16.962 10.032 ( -10.126 5.590 0.000) 11.567 10.083 ( 13.542 -10.395 0.000) 17.072 10.143 ( 3.279 -0.083 0.000) 3.280 10.590 ( 17.249 1.855 0.000) 17.349 10.716 ( 2.976 13.491 0.000) 13.815 10.897 ( 3.619 -3.843 0.000) 5.279 11.204 ( -8.212 6.320 0.000) 10.363 11.512 ( -9.237 0.041 0.000) 9.237 11.513 ( -1.234 -9.220 0.000) 9.302 11.772 ( -7.496 0.064 0.000) 7.496 12.049 ( -20.145 -8.803 0.000) 21.984 12.162 ( -16.541 -14.571 0.000) 22.043 12.474 ( -15.240 -2.833 0.000) 15.501 12.578 ( -0.458 1.628 0.000) 1.691 12.858 ( -16.666 -12.594 0.000) 20.889 12.890 ( 2.485 -5.792 0.000) 6.303 13.317 ( -9.157 -4.262 0.000) 10.100 13.620 ( 1.022 4.533 0.000) 4.647 13.674 ( 4.785 0.586 0.000) 4.821 13.761 ( 2.971 -2.296 0.000) 3.755 14.281 ( 1.649 8.899 0.000) 9.051 14.352 ( -7.043 4.841 0.000) 8.547 14.443 ( -6.079 0.633 0.000) 6.112 14.816 ( -0.658 -8.434 0.000) 8.459 14.882 ( -10.559 3.039 0.000) 10.988 15.491 ( 17.767 3.896 0.000) 18.190 15.782 ( 3.452 -3.326 0.000) 4.794 16.144 ( 4.564 -3.765 0.000) 5.917 16.467 ( 14.243 27.345 0.000) 30.832 19.684 ( 1.779 -0.241 0.000) 1.795 19.939 ( 5.041 3.323 0.000) 6.038 20.349 ( -20.332 -32.250 0.000) 38.125 20.710 ( -14.182 7.487 0.000) 16.037 23.098 ( -3.504 -2.768 0.000) 4.465 23.169 ( 5.026 -1.305 0.000) 5.193 23.330 ( -1.581 -0.780 0.000) 1.763 23.516 ( 0.822 -0.040 0.000) 0.823 23.854 ( 7.184 11.114 0.000) 13.234 24.388 ( 5.447 -4.309 0.000) 6.945 24.441 ( -2.307 2.614 0.000) 3.487 24.511 ( 4.575 16.847 0.000) 17.457 24.603 ( 7.560 -4.597 0.000) 8.848 24.955 ( -0.427 -1.557 0.000) 1.614 24.982 ( 9.076 2.833 0.000) 9.508 26.040 ( -11.332 -7.386 0.000) 13.527 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 31.256 -20.926 0.000) 37.615 2.683 ( 37.530 -11.210 0.000) 39.168 3.944 ( 40.657 -25.440 0.000) 47.960 4.103 ( 0.777 -1.975 0.000) 2.123 4.153 ( -10.192 -7.762 0.000) 12.812 4.523 ( -2.855 -11.023 0.000) 11.387 4.583 ( -7.673 11.822 0.000) 14.094 4.786 ( -19.867 -9.913 0.000) 22.202 4.892 ( 3.769 12.462 0.000) 13.020 5.350 ( 1.098 14.817 0.000) 14.858 5.387 ( -4.549 -6.282 0.000) 7.756 5.549 ( 0.366 -1.822 0.000) 1.858 5.723 ( -2.479 4.428 0.000) 5.075 6.003 ( 4.155 -3.559 0.000) 5.471 6.148 ( -6.655 4.371 0.000) 7.962 6.616 ( 13.766 5.748 0.000) 14.918 6.736 ( 18.926 -3.489 0.000) 19.245 7.101 ( 6.639 -4.432 0.000) 7.982 7.128 ( -15.732 9.926 0.000) 18.602 7.474 ( -0.215 6.026 0.000) 6.030 7.583 ( 12.009 19.940 0.000) 23.277 7.658 ( -0.580 -11.170 0.000) 11.185 7.867 ( -2.280 8.352 0.000) 8.658 7.992 ( 0.695 -6.299 0.000) 6.337 8.170 ( -13.033 -12.527 0.000) 18.077 8.486 ( 11.317 2.085 0.000) 11.508 8.792 ( -6.399 3.001 0.000) 7.068 9.040 ( 5.421 -1.344 0.000) 5.585 9.298 ( -1.413 4.184 0.000) 4.417 9.573 ( 12.630 9.022 0.000) 15.521 9.654 ( 11.125 -2.753 0.000) 11.461 9.742 ( -12.515 8.238 0.000) 14.983 10.037 ( 3.668 -0.691 0.000) 3.733 10.245 ( 11.556 -0.163 0.000) 11.557 10.326 ( 12.465 -1.092 0.000) 12.513 10.445 ( 13.617 -4.211 0.000) 14.253 10.597 ( -2.234 11.556 0.000) 11.770 10.786 ( 14.152 10.350 0.000) 17.532 10.981 ( -9.902 1.463 0.000) 10.009 11.019 ( 6.082 -2.333 0.000) 6.514 11.321 ( -12.543 -0.342 0.000) 12.548 11.627 ( -9.466 -1.298 0.000) 9.555 11.674 ( -5.660 -15.685 0.000) 16.675 11.828 ( -1.232 -6.154 0.000) 6.276 11.918 ( -21.566 -9.938 0.000) 23.745 12.281 ( -8.174 -6.090 0.000) 10.193 12.522 ( -2.844 3.805 0.000) 4.750 12.681 ( -17.330 -13.014 0.000) 21.672 13.001 ( 3.587 -5.488 0.000) 6.556 13.251 ( -4.149 -8.372 0.000) 9.343 13.557 ( -3.083 5.360 0.000) 6.184 13.610 ( -4.896 6.554 0.000) 8.181 13.892 ( 6.252 0.154 0.000) 6.253 14.176 ( -5.240 5.966 0.000) 7.941 14.240 ( 1.777 6.598 0.000) 6.833 14.358 ( -4.013 -2.734 0.000) 4.856 14.676 ( -6.557 3.382 0.000) 7.378 14.835 ( -3.777 -3.627 0.000) 5.237 15.745 ( 13.911 4.784 0.000) 14.711 15.879 ( 1.545 -5.882 0.000) 6.081 16.258 ( 1.908 -7.054 0.000) 7.308 16.452 ( 8.903 19.151 0.000) 21.119 19.741 ( 3.695 -1.450 0.000) 3.969 20.003 ( 6.564 6.083 0.000) 8.949 20.283 ( -14.710 -20.134 0.000) 24.935 20.381 ( -12.845 6.889 0.000) 14.576 23.081 ( -2.077 -4.062 0.000) 4.562 23.204 ( -0.922 2.197 0.000) 2.382 23.384 ( 4.158 -5.293 0.000) 6.731 23.563 ( 3.657 -0.007 0.000) 3.657 23.864 ( 6.202 11.008 0.000) 12.635 24.276 ( -7.244 7.468 0.000) 10.404 24.471 ( 1.498 -1.991 0.000) 2.492 24.502 ( 3.411 5.000 0.000) 6.052 24.785 ( 5.962 -3.938 0.000) 7.145 24.958 ( -2.660 -4.598 0.000) 5.312 25.174 ( 14.367 2.728 0.000) 14.624 25.878 ( -11.820 -3.141 0.000) 12.230 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 28.906 -14.027 0.000) 32.129 3.425 ( 31.732 -7.278 0.000) 32.556 3.903 ( -21.101 2.933 0.000) 21.304 4.063 ( -22.520 -0.476 0.000) 22.525 4.219 ( -1.446 -1.887 0.000) 2.377 4.331 ( -4.868 8.892 0.000) 10.137 4.777 ( 1.709 -15.251 0.000) 15.347 4.854 ( 4.656 12.480 0.000) 13.320 4.861 ( 16.352 -20.198 0.000) 25.987 5.219 ( -1.686 15.465 0.000) 15.556 5.457 ( 1.174 -13.224 0.000) 13.276 5.587 ( 3.477 3.527 0.000) 4.953 5.620 ( -0.605 6.442 0.000) 6.470 5.802 ( -15.171 3.255 0.000) 15.516 6.266 ( 13.525 -4.644 0.000) 14.300 6.653 ( -16.352 14.070 0.000) 21.572 6.869 ( 10.545 -3.757 0.000) 11.194 7.024 ( 3.341 -1.865 0.000) 3.827 7.173 ( 3.456 -2.860 0.000) 4.486 7.365 ( -6.857 5.137 0.000) 8.567 7.672 ( -6.641 -9.594 0.000) 11.669 7.675 ( 7.995 13.830 0.000) 15.975 7.823 ( 10.307 4.952 0.000) 11.435 7.995 ( -8.084 -3.028 0.000) 8.633 8.227 ( 2.891 -15.811 0.000) 16.073 8.450 ( -5.839 10.470 0.000) 11.987 8.937 ( 18.377 -3.780 0.000) 18.762 9.146 ( 3.517 -2.903 0.000) 4.561 9.232 ( -0.677 5.582 0.000) 5.623 9.346 ( -18.162 6.512 0.000) 19.294 9.759 ( 12.886 9.238 0.000) 15.855 9.843 ( -5.710 -15.690 0.000) 16.697 10.080 ( 9.859 5.287 0.000) 11.187 10.307 ( -8.455 8.718 0.000) 12.144 10.468 ( 12.941 10.346 0.000) 16.568 10.537 ( -4.118 -6.880 0.000) 8.018 10.681 ( 15.838 -0.393 0.000) 15.843 10.893 ( 1.185 -1.923 0.000) 2.259 10.957 ( 1.917 -1.573 0.000) 2.480 11.033 ( -17.643 1.368 0.000) 17.696 11.168 ( 10.734 -2.312 0.000) 10.980 11.427 ( -13.007 0.712 0.000) 13.027 11.583 ( -2.656 -2.729 0.000) 3.808 11.668 ( -11.178 -3.302 0.000) 11.656 12.129 ( 15.659 -6.082 0.000) 16.798 12.282 ( -0.215 -7.315 0.000) 7.319 12.407 ( -3.589 6.117 0.000) 7.092 12.455 ( -17.261 -5.822 0.000) 18.216 13.146 ( 6.493 -6.328 0.000) 9.067 13.324 ( 1.051 -10.512 0.000) 10.564 13.365 ( -9.588 6.564 0.000) 11.620 13.462 ( -2.317 10.024 0.000) 10.288 13.965 ( 3.422 0.841 0.000) 3.524 14.041 ( -4.478 2.412 0.000) 5.086 14.239 ( 4.842 5.774 0.000) 7.536 14.300 ( -6.308 -3.816 0.000) 7.372 14.644 ( 4.280 -0.326 0.000) 4.292 14.757 ( -6.158 -0.053 0.000) 6.158 15.897 ( 8.261 6.016 0.000) 10.219 15.934 ( -2.759 -6.673 0.000) 7.221 16.350 ( -1.486 -10.840 0.000) 10.941 16.415 ( 5.102 14.671 0.000) 15.533 19.855 ( 5.940 -3.717 0.000) 7.007 20.009 ( -1.860 7.617 0.000) 7.841 20.171 ( 0.829 6.765 0.000) 6.815 20.209 ( -10.829 -12.963 0.000) 16.891 23.101 ( -0.140 -3.897 0.000) 3.899 23.149 ( -1.446 3.215 0.000) 3.525 23.520 ( 3.346 -6.335 0.000) 7.164 23.601 ( 0.757 3.485 0.000) 3.566 23.907 ( 7.887 4.174 0.000) 8.923 24.067 ( -8.882 3.649 0.000) 9.602 24.502 ( 0.081 -1.784 0.000) 1.786 24.511 ( 1.358 2.349 0.000) 2.714 24.893 ( 4.251 0.453 0.000) 4.275 24.943 ( -3.504 -3.556 0.000) 4.992 25.427 ( 14.720 1.538 0.000) 14.800 25.670 ( -13.196 -1.565 0.000) 13.288 ======================= Grid point 10 (6/100) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.428 ( 39.081 0.000 0.000) 39.081 1.687 ( 45.255 0.000 0.000) 45.255 2.480 ( 62.545 0.000 0.000) 62.545 4.116 ( 2.402 0.000 0.000) 2.402 4.197 ( -4.589 -0.000 0.000) 4.589 4.222 ( -10.405 -0.000 0.000) 10.405 4.719 ( 6.257 0.000 0.000) 6.257 5.072 ( -15.895 -0.000 0.000) 15.895 5.077 ( 5.744 0.000 0.000) 5.744 5.469 ( -8.819 -0.000 0.000) 8.819 5.530 ( -8.310 -0.000 0.000) 8.310 5.600 ( -1.297 -0.000 0.000) 1.297 5.827 ( -5.913 -0.000 0.000) 5.913 5.852 ( 3.862 0.000 0.000) 3.862 6.173 ( 7.729 0.000 0.000) 7.729 6.297 ( 19.243 0.000 0.000) 19.243 6.644 ( 8.940 0.000 0.000) 8.940 6.881 ( 10.521 0.000 0.000) 10.521 6.894 ( 17.725 0.000 0.000) 17.725 7.651 ( -4.517 -0.000 0.000) 4.517 7.769 ( 4.840 0.000 0.000) 4.840 7.941 ( 6.128 0.000 0.000) 6.128 8.037 ( -17.171 -0.000 0.000) 17.171 8.163 ( -13.603 -0.000 0.000) 13.603 8.170 ( -19.452 -0.000 0.000) 19.452 8.244 ( 3.983 0.000 0.000) 3.983 8.883 ( -2.450 -0.000 0.000) 2.450 8.928 ( 6.058 0.000 0.000) 6.058 9.468 ( 10.426 0.000 0.000) 10.426 9.497 ( 12.751 0.000 0.000) 12.751 9.497 ( -6.929 -0.000 0.000) 6.929 9.841 ( 12.859 0.000 0.000) 12.859 9.926 ( 9.851 0.000 0.000) 9.851 9.949 ( 17.522 0.000 0.000) 17.522 10.094 ( -8.648 -0.000 0.000) 8.648 10.156 ( 0.158 0.000 0.000) 0.158 10.565 ( 32.216 0.000 0.000) 32.216 10.841 ( -1.458 -0.000 0.000) 1.458 10.854 ( 6.211 0.000 0.000) 6.211 11.338 ( -2.219 -0.000 0.000) 2.219 11.513 ( -9.096 -0.000 0.000) 9.096 11.518 ( -9.606 -0.000 0.000) 9.606 11.738 ( -15.746 -0.000 0.000) 15.746 11.903 ( -12.532 -0.000 0.000) 12.532 11.993 ( -14.655 -0.000 0.000) 14.655 12.450 ( -9.626 -0.000 0.000) 9.626 12.599 ( 0.079 0.000 0.000) 0.079 12.720 ( -20.061 -0.000 0.000) 20.061 12.823 ( 3.513 0.000 0.000) 3.513 13.252 ( -11.657 -0.000 0.000) 11.657 13.674 ( 6.600 0.000 0.000) 6.600 13.680 ( 2.687 0.000 0.000) 2.687 13.731 ( 2.781 0.000 0.000) 2.781 14.339 ( -2.665 -0.000 0.000) 2.665 14.450 ( -7.130 -0.000 0.000) 7.130 14.555 ( -3.840 -0.000 0.000) 3.840 14.634 ( 3.606 0.000 0.000) 3.606 14.914 ( -10.096 -0.000 0.000) 10.096 15.530 ( 17.121 0.000 0.000) 17.121 15.747 ( 2.319 0.000 0.000) 2.319 16.105 ( 3.842 0.000 0.000) 3.842 16.843 ( 0.714 0.000 0.000) 0.714 19.686 ( 1.684 0.000 0.000) 1.684 19.910 ( -3.182 -0.000 0.000) 3.182 19.973 ( 5.495 0.000 0.000) 5.495 20.786 ( -15.538 -0.000 0.000) 15.538 23.070 ( -4.061 -0.000 0.000) 4.061 23.154 ( 5.850 0.000 0.000) 5.850 23.324 ( -2.510 -0.000 0.000) 2.510 23.515 ( 0.922 0.000 0.000) 0.922 23.992 ( 6.685 0.000 0.000) 6.685 24.324 ( 8.912 0.000 0.000) 8.912 24.471 ( -3.438 -0.000 0.000) 3.438 24.552 ( 5.381 0.000 0.000) 5.381 24.675 ( 0.042 0.000 0.000) 0.042 24.995 ( -8.940 -0.000 0.000) 8.940 25.011 ( 9.262 0.000 0.000) 9.262 25.933 ( -4.371 -0.000 0.000) 4.371 ======================= Grid point 11 (7/100) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 37.406 -11.190 0.000) 39.044 2.528 ( 42.951 -4.147 0.000) 43.151 3.590 ( 50.771 -9.338 0.000) 51.623 4.045 ( -9.976 -2.859 0.000) 10.377 4.106 ( 0.672 2.969 0.000) 3.044 4.257 ( 2.103 -11.763 0.000) 11.949 4.707 ( -22.697 -0.983 0.000) 22.719 4.742 ( -3.250 4.214 0.000) 5.322 5.143 ( 5.925 10.894 0.000) 12.401 5.310 ( -8.292 -1.857 0.000) 8.497 5.430 ( -2.466 -4.312 0.000) 4.967 5.565 ( -2.524 0.988 0.000) 2.710 5.762 ( 0.242 1.850 0.000) 1.865 5.930 ( 1.870 -2.692 0.000) 3.278 6.211 ( -3.798 1.750 0.000) 4.182 6.682 ( 20.134 -1.613 0.000) 20.198 6.759 ( 8.987 7.190 0.000) 11.510 7.037 ( 4.875 -1.801 0.000) 5.197 7.233 ( 10.446 -3.103 0.000) 10.897 7.547 ( -6.175 3.723 0.000) 7.210 7.583 ( -15.513 5.421 0.000) 16.433 7.828 ( -12.160 -11.772 0.000) 16.925 7.953 ( 5.634 11.913 0.000) 13.178 7.997 ( -1.163 -3.067 0.000) 3.280 8.019 ( 1.417 9.205 0.000) 9.314 8.408 ( 7.751 -8.431 0.000) 11.453 8.827 ( -4.257 0.556 0.000) 4.293 9.011 ( 2.364 -1.137 0.000) 2.623 9.333 ( -8.552 -1.333 0.000) 8.656 9.623 ( 6.538 1.633 0.000) 6.739 9.697 ( 9.747 3.152 0.000) 10.244 9.894 ( -9.595 5.616 0.000) 11.118 10.083 ( 12.198 3.868 0.000) 12.797 10.228 ( 13.074 -2.130 0.000) 13.247 10.259 ( 16.558 -8.178 0.000) 18.468 10.306 ( 18.908 -0.424 0.000) 18.912 10.685 ( -15.111 -1.877 0.000) 15.228 10.996 ( 8.896 0.307 0.000) 8.901 11.083 ( 16.952 11.949 0.000) 20.740 11.177 ( -7.859 18.116 0.000) 19.748 11.337 ( -10.242 0.890 0.000) 10.280 11.392 ( 3.066 -8.775 0.000) 9.295 11.535 ( -8.578 -12.633 0.000) 15.270 11.699 ( -20.808 -6.303 0.000) 21.741 11.708 ( -10.178 -5.981 0.000) 11.805 12.261 ( -8.514 3.253 0.000) 9.115 12.441 ( -14.562 -10.000 0.000) 17.665 12.575 ( -1.933 1.484 0.000) 2.437 12.915 ( 4.570 -2.634 0.000) 5.274 13.099 ( -6.723 -5.188 0.000) 8.492 13.632 ( -5.663 2.018 0.000) 6.012 13.707 ( 0.859 2.814 0.000) 2.942 13.898 ( 9.722 0.248 0.000) 9.725 14.257 ( -5.172 1.760 0.000) 5.463 14.321 ( -6.233 -1.017 0.000) 6.316 14.437 ( -0.001 10.544 0.000) 10.544 14.726 ( -8.771 1.439 0.000) 8.888 14.730 ( -0.240 -6.329 0.000) 6.333 15.789 ( 0.646 -2.651 0.000) 2.729 15.810 ( 13.796 1.698 0.000) 13.900 16.157 ( 0.318 -2.762 0.000) 2.780 16.789 ( 1.656 11.641 0.000) 11.758 19.726 ( 2.981 0.125 0.000) 2.984 19.918 ( -5.486 -13.182 0.000) 14.278 20.089 ( 8.160 2.330 0.000) 8.486 20.476 ( -15.709 2.553 0.000) 15.915 23.024 ( -1.771 -1.582 0.000) 2.374 23.246 ( 1.518 2.126 0.000) 2.612 23.300 ( 1.665 -3.293 0.000) 3.690 23.561 ( 3.616 -0.128 0.000) 3.618 24.053 ( 3.884 6.456 0.000) 7.534 24.367 ( -7.680 1.834 0.000) 7.895 24.439 ( 2.752 -1.006 0.000) 2.930 24.632 ( -0.701 6.821 0.000) 6.856 24.696 ( 7.697 -3.609 0.000) 8.501 24.859 ( -6.220 -4.990 0.000) 7.974 25.221 ( 13.826 1.471 0.000) 13.904 25.835 ( -7.865 -1.132 0.000) 7.946 ======================= Grid point 12 (8/100) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( 34.258 -13.561 0.000) 36.844 3.314 ( 36.453 -3.837 0.000) 36.654 3.895 ( -9.386 -1.729 0.000) 9.544 4.066 ( -10.311 0.918 0.000) 10.352 4.231 ( -2.923 3.222 0.000) 4.350 4.442 ( 2.205 -16.585 0.000) 16.731 4.528 ( -10.658 8.714 0.000) 13.767 4.550 ( 21.821 -11.310 0.000) 24.578 5.110 ( 4.971 13.341 0.000) 14.237 5.253 ( -1.600 -7.192 0.000) 7.367 5.467 ( -3.259 7.441 0.000) 8.123 5.509 ( 2.597 -6.270 0.000) 6.786 5.778 ( 3.756 5.009 0.000) 6.261 5.829 ( -15.400 -0.178 0.000) 15.401 6.180 ( 4.040 -3.748 0.000) 5.511 6.808 ( -6.424 5.142 0.000) 8.229 7.011 ( 12.800 0.095 0.000) 12.800 7.019 ( -3.231 14.843 0.000) 15.191 7.104 ( 0.547 -3.281 0.000) 3.326 7.402 ( -11.138 -1.672 0.000) 11.263 7.508 ( -4.902 -5.519 0.000) 7.382 7.852 ( -1.874 -19.090 0.000) 19.182 7.893 ( -1.551 7.553 0.000) 7.711 8.012 ( 1.471 1.543 0.000) 2.132 8.043 ( 14.140 16.161 0.000) 21.474 8.558 ( -2.628 -0.677 0.000) 2.714 8.828 ( 8.351 -4.927 0.000) 9.696 9.039 ( -3.307 -5.556 0.000) 6.466 9.250 ( -5.464 -7.177 0.000) 9.020 9.528 ( -16.034 10.058 0.000) 18.928 9.672 ( 0.601 1.437 0.000) 1.557 9.873 ( 7.731 2.962 0.000) 8.279 10.200 ( 8.036 6.594 0.000) 10.395 10.350 ( -22.072 -8.950 0.000) 23.818 10.583 ( 18.629 0.026 0.000) 18.629 10.591 ( 9.030 12.617 0.000) 15.515 10.635 ( 13.402 -4.092 0.000) 14.013 10.865 ( -8.614 3.963 0.000) 9.482 11.010 ( -1.071 6.503 0.000) 6.591 11.101 ( -11.684 3.255 0.000) 12.129 11.146 ( 9.146 -0.027 0.000) 9.146 11.407 ( -15.163 -5.098 0.000) 15.997 11.524 ( 1.243 -1.887 0.000) 2.259 11.560 ( -1.159 -5.582 0.000) 5.701 11.969 ( 24.490 -9.080 0.000) 26.119 12.169 ( -0.646 -3.218 0.000) 3.282 12.308 ( -10.938 -8.199 0.000) 13.670 12.509 ( -1.528 3.991 0.000) 4.273 13.033 ( 4.876 -4.432 0.000) 6.589 13.124 ( 1.512 -8.780 0.000) 8.909 13.461 ( -9.445 3.169 0.000) 9.962 13.650 ( -1.171 8.203 0.000) 8.287 14.007 ( 3.549 1.843 0.000) 3.999 14.125 ( -5.412 4.233 0.000) 6.871 14.256 ( -3.220 -0.194 0.000) 3.226 14.373 ( 2.769 7.504 0.000) 7.998 14.621 ( -0.778 -1.900 0.000) 2.054 14.729 ( -4.461 -2.623 0.000) 5.175 15.811 ( -2.757 -5.070 0.000) 5.771 15.991 ( 8.367 3.342 0.000) 9.010 16.172 ( -3.671 -6.676 0.000) 7.619 16.694 ( 0.665 12.177 0.000) 12.195 19.795 ( 3.285 -2.063 0.000) 3.879 19.947 ( -4.630 -12.143 0.000) 12.996 20.145 ( -7.168 5.786 0.000) 9.211 20.265 ( 5.550 2.647 0.000) 6.148 23.034 ( 0.505 -2.597 0.000) 2.646 23.207 ( -1.009 2.556 0.000) 2.748 23.407 ( 3.426 -4.742 0.000) 5.850 23.632 ( 3.359 0.321 0.000) 3.374 24.031 ( 1.751 6.882 0.000) 7.101 24.147 ( -12.223 3.673 0.000) 12.763 24.469 ( -0.358 -1.534 0.000) 1.575 24.569 ( 0.044 4.074 0.000) 4.074 24.836 ( -3.834 -6.955 0.000) 7.942 24.864 ( 6.675 -2.489 0.000) 7.124 25.472 ( 15.058 2.328 0.000) 15.236 25.663 ( -10.992 0.519 0.000) 11.004 ======================= Grid point 13 (9/100) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( -17.280 7.821 0.000) 18.967 3.583 ( -22.120 7.485 0.000) 23.352 3.726 ( 23.730 -12.366 0.000) 26.759 4.086 ( 30.844 1.718 0.000) 30.891 4.265 ( 5.377 1.373 0.000) 5.550 4.278 ( -7.823 3.377 0.000) 8.521 4.601 ( -0.377 -13.296 0.000) 13.302 4.947 ( 3.770 -11.056 0.000) 11.681 5.067 ( 2.404 13.127 0.000) 13.345 5.211 ( -12.442 13.702 0.000) 18.508 5.356 ( 0.409 -10.978 0.000) 10.985 5.592 ( -7.114 -2.865 0.000) 7.669 5.678 ( 6.965 -0.866 0.000) 7.019 5.766 ( 6.209 8.624 0.000) 10.627 6.370 ( 5.201 -13.195 0.000) 14.183 6.384 ( -19.125 8.836 0.000) 21.067 7.013 ( -1.426 7.926 0.000) 8.053 7.099 ( 5.009 5.602 0.000) 7.514 7.172 ( -10.168 -3.760 0.000) 10.841 7.244 ( 4.950 -5.516 0.000) 7.411 7.443 ( -10.472 -8.602 0.000) 13.552 7.779 ( -12.451 -2.004 0.000) 12.611 7.843 ( 4.999 7.129 0.000) 8.707 8.138 ( 9.479 11.411 0.000) 14.835 8.200 ( 7.857 -12.352 0.000) 14.639 8.447 ( -3.140 5.897 0.000) 6.681 8.902 ( -20.272 -6.036 0.000) 21.151 9.087 ( 7.512 -6.531 0.000) 9.954 9.228 ( -2.309 5.385 0.000) 5.859 9.242 ( -2.726 -8.816 0.000) 9.228 9.624 ( -5.011 -0.624 0.000) 5.050 9.980 ( -10.892 -5.018 0.000) 11.992 10.015 ( -6.733 -4.814 0.000) 8.277 10.249 ( 2.252 2.324 0.000) 3.236 10.403 ( -10.990 9.513 0.000) 14.535 10.664 ( -2.812 5.303 0.000) 6.003 10.677 ( -14.131 0.441 0.000) 14.138 10.805 ( -1.075 -7.845 0.000) 7.918 11.012 ( 0.854 2.929 0.000) 3.051 11.133 ( 20.956 8.261 0.000) 22.525 11.212 ( -8.896 1.171 0.000) 8.973 11.412 ( 15.986 -0.586 0.000) 15.997 11.611 ( 5.901 0.508 0.000) 5.923 11.676 ( 13.307 -2.181 0.000) 13.484 12.178 ( -7.111 -1.027 0.000) 7.185 12.278 ( 4.205 -6.816 0.000) 8.009 12.407 ( 8.836 3.599 0.000) 9.541 12.544 ( 20.391 4.668 0.000) 20.919 13.213 ( 8.159 -8.010 0.000) 11.434 13.257 ( -7.610 4.509 0.000) 8.846 13.280 ( 5.222 -8.275 0.000) 9.785 13.520 ( -2.679 9.643 0.000) 10.008 13.994 ( -4.602 3.140 0.000) 5.571 14.051 ( 3.346 -0.238 0.000) 3.355 14.175 ( -3.004 2.510 0.000) 3.914 14.388 ( 5.169 4.681 0.000) 6.974 14.638 ( -6.169 -0.740 0.000) 6.214 14.722 ( 6.117 -4.004 0.000) 7.311 15.773 ( -7.545 -5.837 0.000) 9.539 16.050 ( 2.504 4.804 0.000) 5.417 16.156 ( -7.493 -11.005 0.000) 13.314 16.571 ( -1.886 10.685 0.000) 10.850 19.861 ( -1.961 -7.061 0.000) 7.329 19.930 ( -8.468 3.545 0.000) 9.180 20.021 ( 3.373 -7.570 0.000) 8.288 20.420 ( 14.300 8.104 0.000) 16.437 23.087 ( 2.102 -2.898 0.000) 3.580 23.176 ( 0.952 3.488 0.000) 3.616 23.500 ( 0.908 -5.697 0.000) 5.769 23.633 ( -1.610 4.444 0.000) 4.727 23.884 ( -12.964 1.094 0.000) 13.010 24.028 ( 2.597 -0.020 0.000) 2.597 24.463 ( -2.471 -2.557 0.000) 3.556 24.541 ( -0.053 2.316 0.000) 2.317 24.833 ( -3.372 -5.313 0.000) 6.293 24.981 ( 5.125 0.773 0.000) 5.183 25.426 ( -13.737 1.180 0.000) 13.788 25.719 ( 14.556 2.945 0.000) 14.851 ======================= Grid point 14 (10/100) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -29.778 14.875 0.000) 33.287 2.955 ( -24.350 19.886 0.000) 31.438 4.127 ( -5.565 -0.047 0.000) 5.565 4.299 ( 15.578 -15.199 0.000) 21.764 4.329 ( 7.863 8.349 0.000) 11.469 4.503 ( -8.809 23.819 0.000) 25.395 4.656 ( 1.688 9.727 0.000) 9.872 4.682 ( -2.605 -8.988 0.000) 9.358 5.013 ( -4.652 -16.454 0.000) 17.099 5.072 ( 8.326 13.263 0.000) 15.660 5.510 ( 1.802 -9.833 0.000) 9.997 5.579 ( 1.237 -5.625 0.000) 5.759 5.579 ( 0.062 13.936 0.000) 13.937 6.039 ( 7.986 -6.328 0.000) 10.189 6.059 ( -4.530 2.608 0.000) 5.227 6.476 ( -8.880 -10.028 0.000) 13.395 6.804 ( -19.481 3.168 0.000) 19.737 7.038 ( 12.629 2.043 0.000) 12.793 7.185 ( -15.306 0.363 0.000) 15.310 7.270 ( -5.082 -7.560 0.000) 9.109 7.327 ( -2.292 -7.629 0.000) 7.966 7.684 ( -2.129 -10.179 0.000) 10.399 7.885 ( 4.846 10.771 0.000) 11.811 8.137 ( 1.548 8.743 0.000) 8.879 8.351 ( -7.626 -9.492 0.000) 12.176 8.384 ( 5.457 7.340 0.000) 9.146 8.710 ( 1.670 -5.640 0.000) 5.882 9.064 ( -6.696 1.558 0.000) 6.875 9.233 ( 1.839 -1.890 0.000) 2.637 9.366 ( -6.756 -11.427 0.000) 13.275 9.600 ( 6.201 -6.028 0.000) 8.648 9.624 ( -21.925 -5.678 0.000) 22.649 10.100 ( -8.561 3.445 0.000) 9.229 10.174 ( -1.957 -10.583 0.000) 10.763 10.259 ( -4.220 -6.731 0.000) 7.944 10.380 ( -16.733 0.898 0.000) 16.757 10.483 ( -10.076 0.880 0.000) 10.114 10.838 ( -11.677 8.412 0.000) 14.391 10.932 ( 6.881 -4.766 0.000) 8.370 11.086 ( -3.300 4.116 0.000) 5.275 11.386 ( 12.988 5.792 0.000) 14.221 11.648 ( 9.793 0.915 0.000) 9.836 11.816 ( 16.850 1.604 0.000) 16.926 12.030 ( 23.344 2.498 0.000) 23.477 12.036 ( -3.145 10.560 0.000) 11.019 12.424 ( 3.784 -5.945 0.000) 7.047 12.474 ( 11.374 11.730 0.000) 16.339 12.911 ( 22.134 9.510 0.000) 24.091 13.111 ( -3.180 5.268 0.000) 6.153 13.391 ( -1.621 6.781 0.000) 6.972 13.434 ( 4.070 -6.780 0.000) 7.907 13.472 ( 9.097 -6.871 0.000) 11.400 13.897 ( -4.055 0.736 0.000) 4.122 14.116 ( -2.288 -5.545 0.000) 5.999 14.168 ( 9.230 4.674 0.000) 10.346 14.426 ( 1.380 3.993 0.000) 4.224 14.604 ( 3.536 -3.709 0.000) 5.124 14.865 ( 5.960 -0.938 0.000) 6.033 15.638 ( -13.335 -5.361 0.000) 14.372 15.996 ( -2.671 5.451 0.000) 6.070 16.112 ( -11.244 -14.748 0.000) 18.545 16.415 ( -4.691 8.363 0.000) 9.589 19.777 ( -5.160 2.045 0.000) 5.551 19.867 ( -4.472 -7.203 0.000) 8.478 20.221 ( 9.095 -8.779 0.000) 12.641 20.622 ( 19.443 13.548 0.000) 23.697 23.157 ( 2.264 -2.508 0.000) 3.379 23.172 ( 2.879 4.839 0.000) 5.631 23.503 ( -5.328 6.493 0.000) 8.399 23.541 ( -1.888 -3.337 0.000) 3.834 23.682 ( -10.267 -5.756 0.000) 11.770 24.113 ( 1.008 -8.047 0.000) 8.110 24.427 ( -4.366 -3.091 0.000) 5.350 24.513 ( -0.671 2.282 0.000) 2.379 24.809 ( -3.524 -1.932 0.000) 4.019 25.040 ( 3.699 3.735 0.000) 5.257 25.144 ( -15.496 0.251 0.000) 15.498 25.948 ( 13.860 3.661 0.000) 14.335 ======================= Grid point 15 (11/100) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -29.598 21.979 0.000) 36.866 2.251 ( -27.001 26.361 0.000) 37.735 3.541 ( -35.597 43.147 0.000) 55.936 4.128 ( 1.078 0.997 0.000) 1.468 4.321 ( 1.533 3.071 0.000) 3.433 4.600 ( 1.457 -5.336 0.000) 5.531 4.654 ( -2.333 12.926 0.000) 13.135 4.741 ( 0.277 -11.251 0.000) 11.255 5.155 ( -1.520 -20.489 0.000) 20.545 5.265 ( 19.802 9.075 0.000) 21.782 5.520 ( 3.692 5.513 0.000) 6.636 5.579 ( 5.117 -0.993 0.000) 5.212 5.766 ( 8.840 -5.898 0.000) 10.627 5.862 ( -8.549 -0.471 0.000) 8.562 6.248 ( -0.183 0.540 0.000) 0.570 6.341 ( -9.960 -3.182 0.000) 10.456 6.391 ( -18.812 4.090 0.000) 19.251 6.852 ( -17.331 -4.128 0.000) 17.816 7.269 ( 3.613 -0.376 0.000) 3.633 7.329 ( 0.143 -12.042 0.000) 12.043 7.355 ( -3.378 -9.745 0.000) 10.314 7.776 ( 2.634 8.824 0.000) 9.208 7.824 ( 4.895 -11.404 0.000) 12.411 8.060 ( -0.241 8.278 0.000) 8.282 8.287 ( -3.211 -6.447 0.000) 7.203 8.512 ( 11.127 3.465 0.000) 11.654 8.882 ( 2.385 -4.990 0.000) 5.530 8.915 ( -7.437 1.712 0.000) 7.631 9.259 ( -9.326 -7.717 0.000) 12.105 9.282 ( -0.798 -3.183 0.000) 3.282 9.385 ( -6.532 -7.991 0.000) 10.321 9.875 ( 9.143 -10.106 0.000) 13.628 9.875 ( -11.466 0.550 0.000) 11.479 10.051 ( -22.086 -9.494 0.000) 24.040 10.115 ( -12.020 3.377 0.000) 12.485 10.204 ( -5.065 1.921 0.000) 5.417 10.414 ( -4.370 -12.899 0.000) 13.619 10.578 ( -6.603 4.202 0.000) 7.827 10.997 ( 0.172 6.132 0.000) 6.134 11.113 ( 7.024 -4.741 0.000) 8.474 11.531 ( 8.190 2.257 0.000) 8.495 11.764 ( 3.936 -0.065 0.000) 3.936 11.834 ( -2.662 16.609 0.000) 16.821 12.178 ( 23.449 4.785 0.000) 23.932 12.415 ( 21.638 8.501 0.000) 23.248 12.525 ( 2.302 -4.375 0.000) 4.944 12.592 ( 13.304 10.438 0.000) 16.910 13.019 ( -0.846 6.796 0.000) 6.849 13.147 ( 16.672 14.752 0.000) 22.262 13.351 ( 1.594 0.934 0.000) 1.847 13.528 ( 1.061 -4.060 0.000) 4.197 13.639 ( 1.555 -2.875 0.000) 3.269 13.819 ( -1.801 3.318 0.000) 3.775 14.153 ( 1.675 -4.011 0.000) 4.346 14.333 ( 11.596 2.509 0.000) 11.864 14.427 ( 2.523 -0.827 0.000) 2.655 14.804 ( 11.274 -4.596 0.000) 12.175 14.941 ( 3.625 4.018 0.000) 5.412 15.390 ( -19.049 -5.440 0.000) 19.810 15.863 ( -5.787 4.440 0.000) 7.294 16.018 ( -16.959 -17.342 0.000) 24.256 16.241 ( -6.510 5.693 0.000) 8.648 19.695 ( -2.517 0.751 0.000) 2.626 19.850 ( -3.839 -5.384 0.000) 6.613 20.511 ( 10.716 -12.027 0.000) 16.108 20.884 ( 28.066 20.417 0.000) 34.706 23.172 ( 1.816 4.462 0.000) 4.818 23.187 ( -1.869 0.048 0.000) 1.869 23.368 ( -2.108 3.323 0.000) 3.935 23.514 ( -0.498 -0.327 0.000) 0.596 23.630 ( -6.113 -10.625 0.000) 12.258 24.158 ( -11.766 -16.203 0.000) 20.024 24.391 ( -0.956 -2.483 0.000) 2.660 24.464 ( -2.217 3.400 0.000) 4.059 24.698 ( -8.718 4.197 0.000) 9.675 24.911 ( -9.520 -3.975 0.000) 10.317 25.045 ( 2.039 6.001 0.000) 6.338 26.159 ( 13.469 4.544 0.000) 14.215 ======================= Grid point 16 (12/100) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -24.565 30.812 0.000) 39.406 1.461 ( -27.431 30.880 0.000) 41.304 2.418 ( -28.408 59.805 0.000) 66.209 4.193 ( 5.574 0.481 0.000) 5.595 4.353 ( 2.190 -2.340 0.000) 3.205 4.443 ( -5.295 12.113 0.000) 13.220 4.584 ( -3.151 -0.893 0.000) 3.275 4.828 ( -2.685 -9.809 0.000) 10.170 5.353 ( 1.362 -19.562 0.000) 19.609 5.427 ( 7.085 10.233 0.000) 12.446 5.537 ( -1.261 0.597 0.000) 1.395 5.667 ( 2.949 1.209 0.000) 3.187 5.779 ( -2.197 -0.505 0.000) 2.254 5.983 ( -15.110 -0.823 0.000) 15.132 6.014 ( 14.344 0.952 0.000) 14.375 6.228 ( -6.129 -5.512 0.000) 8.243 6.256 ( 5.288 6.025 0.000) 8.016 6.634 ( -12.012 -3.516 0.000) 12.516 7.009 ( -14.749 16.885 0.000) 22.419 7.399 ( -2.013 -10.393 0.000) 10.586 7.454 ( -2.665 -14.909 0.000) 15.145 7.962 ( 2.268 6.777 0.000) 7.146 8.039 ( 13.231 -10.059 0.000) 16.621 8.055 ( 6.527 -7.379 0.000) 9.851 8.438 ( 13.287 -9.459 0.000) 16.310 8.631 ( 0.366 -3.258 0.000) 3.279 8.764 ( -5.170 2.636 0.000) 5.803 8.798 ( -11.663 -5.098 0.000) 12.728 9.251 ( 3.057 -0.989 0.000) 3.213 9.291 ( -1.015 4.578 0.000) 4.690 9.470 ( 0.623 -8.039 0.000) 8.063 9.718 ( -5.640 -6.106 0.000) 8.312 9.733 ( -18.810 -6.543 0.000) 19.916 9.770 ( -15.601 3.211 0.000) 15.928 10.100 ( -0.178 2.392 0.000) 2.399 10.142 ( 6.722 -4.406 0.000) 8.038 10.472 ( -3.887 -0.250 0.000) 3.895 10.493 ( -2.934 -15.842 0.000) 16.112 10.973 ( 3.405 7.899 0.000) 8.602 11.264 ( 3.779 -5.104 0.000) 6.350 11.618 ( -2.625 16.784 0.000) 16.988 11.663 ( 6.905 -0.344 0.000) 6.914 11.821 ( 1.150 -3.258 0.000) 3.455 12.476 ( 5.582 -1.389 0.000) 5.753 12.530 ( 6.250 15.186 0.000) 16.422 12.725 ( 24.405 3.207 0.000) 24.615 12.801 ( 13.327 4.817 0.000) 14.171 12.944 ( 1.149 7.780 0.000) 7.864 13.246 ( 10.117 14.756 0.000) 17.891 13.417 ( 3.409 -3.616 0.000) 4.969 13.540 ( -4.063 -1.766 0.000) 4.430 13.615 ( 0.120 1.969 0.000) 1.973 13.770 ( -0.907 4.448 0.000) 4.540 14.248 ( 4.940 -2.187 0.000) 5.403 14.519 ( 3.871 -2.933 0.000) 4.856 14.538 ( 14.423 4.427 0.000) 15.087 14.896 ( -3.138 8.968 0.000) 9.501 15.045 ( 9.436 -2.701 0.000) 9.815 15.082 ( -19.216 -7.851 0.000) 20.758 15.728 ( -4.681 1.569 0.000) 4.937 15.780 ( -29.393 -17.343 0.000) 34.128 16.078 ( -5.668 3.510 0.000) 6.667 19.662 ( -0.844 -0.009 0.000) 0.844 19.838 ( -2.252 -3.742 0.000) 4.367 20.819 ( 8.057 -13.187 0.000) 15.454 21.320 ( 47.752 26.403 0.000) 54.565 23.101 ( -4.387 1.848 0.000) 4.760 23.164 ( 0.631 0.517 0.000) 0.815 23.360 ( 1.134 -0.017 0.000) 1.134 23.557 ( 4.731 1.380 0.000) 4.929 23.629 ( -4.680 -9.502 0.000) 10.592 23.935 ( -33.866 -21.040 0.000) 39.869 24.309 ( -9.283 7.022 0.000) 11.640 24.446 ( 1.494 -5.297 0.000) 5.503 24.520 ( -3.978 2.129 0.000) 4.512 24.845 ( -2.985 -3.034 0.000) 4.257 24.994 ( -0.094 8.158 0.000) 8.158 26.357 ( 12.965 4.519 0.000) 13.730 ======================= Grid point 17 (13/100) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.766 ( -0.000 38.758 0.000) 38.758 0.811 ( -0.000 40.338 0.000) 40.338 1.455 ( -0.000 72.409 0.000) 72.409 4.210 ( -0.000 12.557 0.000) 12.557 4.327 ( 0.000 -2.876 0.000) 2.876 4.416 ( 0.000 -4.537 0.000) 4.537 4.551 ( -0.000 1.347 0.000) 1.347 4.880 ( 0.000 -7.405 0.000) 7.405 5.366 ( -0.000 12.528 0.000) 12.528 5.512 ( 0.000 -4.204 0.000) 4.204 5.540 ( 0.000 -13.360 0.000) 13.360 5.682 ( -0.000 0.065 0.000) 0.065 5.706 ( -0.000 1.753 0.000) 1.753 5.892 ( 0.000 -1.280 0.000) 1.280 6.197 ( 0.000 -5.116 0.000) 5.116 6.202 ( -0.000 0.922 0.000) 0.922 6.357 ( -0.000 4.965 0.000) 4.965 6.502 ( 0.000 -5.445 0.000) 5.445 6.653 ( -0.000 16.431 0.000) 16.431 7.481 ( 0.000 -10.062 0.000) 10.062 7.544 ( 0.000 -12.140 0.000) 12.140 7.888 ( -0.000 8.568 0.000) 8.568 8.160 ( 0.000 -3.507 0.000) 3.507 8.366 ( 0.000 -13.921 0.000) 13.921 8.598 ( 0.000 -5.127 0.000) 5.127 8.701 ( 0.000 -6.581 0.000) 6.581 8.731 ( -0.000 1.640 0.000) 1.640 8.798 ( 0.000 -6.662 0.000) 6.662 9.123 ( -0.000 10.509 0.000) 10.509 9.266 ( -0.000 10.253 0.000) 10.253 9.533 ( 0.000 -15.437 0.000) 15.437 9.567 ( 0.000 -0.660 0.000) 0.660 9.606 ( 0.000 -1.511 0.000) 1.511 9.752 ( 0.000 -4.941 0.000) 4.941 10.123 ( -0.000 0.395 0.000) 0.395 10.241 ( 0.000 -3.055 0.000) 3.055 10.501 ( 0.000 -9.084 0.000) 9.084 10.615 ( 0.000 -14.429 0.000) 14.429 10.930 ( -0.000 9.098 0.000) 9.098 11.345 ( 0.000 -4.431 0.000) 4.431 11.403 ( -0.000 17.377 0.000) 17.377 11.742 ( 0.000 -0.178 0.000) 0.178 11.887 ( 0.000 -7.574 0.000) 7.574 12.441 ( -0.000 13.191 0.000) 13.191 12.529 ( 0.000 -3.332 0.000) 3.332 12.844 ( -0.000 12.197 0.000) 12.197 12.851 ( -0.000 7.263 0.000) 7.263 13.238 ( -0.000 6.573 0.000) 6.573 13.239 ( 0.000 -10.147 0.000) 10.147 13.503 ( 0.000 -1.282 0.000) 1.282 13.506 ( 0.000 -6.293 0.000) 6.293 13.608 ( -0.000 2.179 0.000) 2.179 13.703 ( -0.000 3.930 0.000) 3.930 14.364 ( -0.000 0.741 0.000) 0.741 14.583 ( 0.000 -1.786 0.000) 1.786 14.716 ( 0.000 -1.306 0.000) 1.306 14.736 ( -0.000 13.746 0.000) 13.746 14.830 ( 0.000 -1.775 0.000) 1.775 15.156 ( 0.000 -1.007 0.000) 1.007 15.371 ( -0.000 0.110 0.000) 0.110 15.680 ( 0.000 -0.206 0.000) 0.206 15.992 ( -0.000 2.247 0.000) 2.247 19.657 ( 0.000 -0.192 0.000) 0.192 19.847 ( 0.000 -2.500 0.000) 2.500 21.020 ( 0.000 -10.476 0.000) 10.476 22.091 ( 0.000 -1.432 0.000) 1.432 23.020 ( 0.000 -0.628 0.000) 0.628 23.184 ( 0.000 -1.637 0.000) 1.637 23.357 ( -0.000 1.340 0.000) 1.340 23.378 ( -0.000 0.105 0.000) 0.105 23.600 ( -0.000 2.338 0.000) 2.338 23.666 ( 0.000 -8.812 0.000) 8.812 24.119 ( -0.000 7.776 0.000) 7.776 24.474 ( -0.000 1.349 0.000) 1.349 24.523 ( 0.000 -7.133 0.000) 7.133 24.842 ( 0.000 -1.840 0.000) 1.840 24.892 ( -0.000 10.341 0.000) 10.341 26.505 ( 0.000 -0.328 0.000) 0.328 ======================= Grid point 20 (14/100) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.839 ( 36.333 0.000 0.000) 36.333 3.276 ( 38.206 0.000 0.000) 38.206 3.874 ( -5.604 -0.000 0.000) 5.604 4.097 ( -9.494 -0.000 0.000) 9.494 4.228 ( 8.779 0.000 0.000) 8.779 4.343 ( -10.101 -0.000 0.000) 10.101 4.381 ( 28.913 0.000 0.000) 28.913 4.621 ( -12.174 -0.000 0.000) 12.174 5.181 ( -2.731 -0.000 0.000) 2.731 5.324 ( -3.180 -0.000 0.000) 3.180 5.379 ( 8.807 0.000 0.000) 8.807 5.514 ( -1.869 -0.000 0.000) 1.869 5.821 ( -13.707 -0.000 0.000) 13.707 5.831 ( 5.069 0.000 0.000) 5.069 6.140 ( -1.468 -0.000 0.000) 1.468 6.893 ( 2.331 0.000 0.000) 2.331 7.016 ( 15.791 0.000 0.000) 15.791 7.067 ( 0.702 0.000 0.000) 0.702 7.198 ( -25.501 -0.000 0.000) 25.501 7.447 ( -8.258 -0.000 0.000) 8.258 7.455 ( 9.254 0.000 0.000) 9.254 7.530 ( -6.111 -0.000 0.000) 6.111 7.979 ( -2.174 -0.000 0.000) 2.174 8.040 ( 2.078 0.000 0.000) 2.078 8.296 ( 11.226 0.000 0.000) 11.226 8.455 ( 4.948 0.000 0.000) 4.948 8.793 ( -0.040 -0.000 0.000) 0.040 8.978 ( -5.480 -0.000 0.000) 5.480 9.130 ( -8.088 -0.000 0.000) 8.088 9.651 ( -12.658 -0.000 0.000) 12.658 9.727 ( 1.591 0.000 0.000) 1.591 9.910 ( 3.256 0.000 0.000) 3.256 10.221 ( -26.400 -0.000 0.000) 26.400 10.289 ( 8.441 0.000 0.000) 8.441 10.549 ( 14.972 0.000 0.000) 14.972 10.581 ( 21.245 0.000 0.000) 21.245 10.693 ( 16.691 0.000 0.000) 16.691 11.051 ( -13.508 -0.000 0.000) 13.508 11.097 ( -4.180 -0.000 0.000) 4.180 11.145 ( 7.571 0.000 0.000) 7.571 11.149 ( -21.999 -0.000 0.000) 21.999 11.222 ( -6.131 -0.000 0.000) 6.131 11.517 ( 3.409 0.000 0.000) 3.409 11.529 ( -2.768 -0.000 0.000) 2.768 11.847 ( 33.971 0.000 0.000) 33.971 12.172 ( -4.972 -0.000 0.000) 4.972 12.183 ( -6.259 -0.000 0.000) 6.259 12.552 ( -0.236 -0.000 0.000) 0.236 12.999 ( 5.685 0.000 0.000) 5.685 13.017 ( 0.881 0.000 0.000) 0.881 13.492 ( -9.578 -0.000 0.000) 9.578 13.743 ( 0.532 0.000 0.000) 0.532 14.015 ( 0.035 0.000 0.000) 0.035 14.168 ( -5.548 -0.000 0.000) 5.548 14.271 ( 3.926 0.000 0.000) 3.926 14.473 ( -0.658 -0.000 0.000) 0.658 14.593 ( -5.746 -0.000 0.000) 5.746 14.685 ( -2.110 -0.000 0.000) 2.110 15.758 ( -2.568 -0.000 0.000) 2.568 16.024 ( 8.377 0.000 0.000) 8.377 16.104 ( -4.457 -0.000 0.000) 4.457 16.827 ( -2.403 -0.000 0.000) 2.403 19.786 ( -3.153 -0.000 0.000) 3.153 19.801 ( 4.605 0.000 0.000) 4.605 20.211 ( -13.757 -0.000 0.000) 13.757 20.285 ( 11.756 0.000 0.000) 11.756 23.007 ( 0.731 0.000 0.000) 0.731 23.238 ( -1.301 -0.000 0.000) 1.301 23.354 ( 3.787 0.000 0.000) 3.787 23.633 ( 3.942 0.000 0.000) 3.942 24.112 ( -0.635 -0.000 0.000) 0.635 24.187 ( -12.941 -0.000 0.000) 12.941 24.451 ( -0.981 -0.000 0.000) 0.981 24.662 ( -0.886 -0.000 0.000) 0.886 24.711 ( -4.230 -0.000 0.000) 4.230 24.833 ( 8.657 0.000 0.000) 8.657 25.497 ( 15.058 0.000 0.000) 15.058 25.672 ( -10.091 -0.000 0.000) 10.091 ======================= Grid point 21 (15/100) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( 29.389 -6.757 0.000) 30.156 3.596 ( -5.063 2.389 0.000) 5.598 3.733 ( -22.328 4.101 0.000) 22.701 4.117 ( 32.982 1.034 0.000) 32.999 4.304 ( 3.185 0.230 0.000) 3.193 4.332 ( -16.421 1.659 0.000) 16.505 4.402 ( 7.202 -3.847 0.000) 8.165 4.770 ( 8.306 -6.408 0.000) 10.491 5.232 ( 3.189 -1.927 0.000) 3.726 5.246 ( -1.275 4.703 0.000) 4.873 5.362 ( -8.272 1.750 0.000) 8.455 5.524 ( -14.870 -2.804 0.000) 15.132 5.639 ( 11.733 0.490 0.000) 11.744 5.915 ( 5.163 3.387 0.000) 6.175 6.175 ( 1.538 -5.607 0.000) 5.814 6.637 ( -19.645 14.973 0.000) 24.701 6.985 ( -4.558 -12.419 0.000) 13.229 7.077 ( -0.286 -0.859 0.000) 0.905 7.224 ( 7.668 2.364 0.000) 8.024 7.255 ( -7.510 5.632 0.000) 9.387 7.380 ( -6.900 4.678 0.000) 8.336 7.616 ( -7.572 -13.981 0.000) 15.900 7.948 ( 2.869 3.266 0.000) 4.347 8.083 ( 5.091 -0.425 0.000) 5.109 8.376 ( 5.861 8.226 0.000) 10.100 8.496 ( -2.730 2.767 0.000) 3.887 8.798 ( -16.113 -3.227 0.000) 16.433 8.905 ( 6.310 -10.928 0.000) 12.619 9.092 ( 0.708 -3.238 0.000) 3.315 9.362 ( -11.326 6.207 0.000) 12.915 9.665 ( -6.424 2.060 0.000) 6.746 9.804 ( -23.027 -8.595 0.000) 24.579 9.936 ( -0.009 -1.824 0.000) 1.824 10.367 ( 0.788 8.307 0.000) 8.344 10.566 ( -24.211 2.593 0.000) 24.349 10.592 ( -8.687 -9.469 0.000) 12.850 10.772 ( -9.897 7.916 0.000) 12.674 10.779 ( 1.270 2.358 0.000) 2.678 11.053 ( 4.538 1.129 0.000) 4.676 11.190 ( -2.239 -2.760 0.000) 3.554 11.277 ( 20.817 5.081 0.000) 21.428 11.406 ( 18.993 -0.107 0.000) 18.994 11.612 ( 12.507 -2.971 0.000) 12.855 11.624 ( 8.960 0.763 0.000) 8.993 12.136 ( -1.800 -1.802 0.000) 2.547 12.157 ( 2.828 -4.266 0.000) 5.119 12.418 ( 21.912 -0.767 0.000) 21.926 12.645 ( 17.365 3.893 0.000) 17.796 13.101 ( 7.056 -2.253 0.000) 7.407 13.141 ( 6.603 -5.316 0.000) 8.477 13.316 ( -7.865 1.433 0.000) 7.994 13.699 ( -1.685 7.344 0.000) 7.535 13.971 ( -4.351 -4.984 0.000) 6.616 14.052 ( -6.017 1.922 0.000) 6.316 14.345 ( 5.883 10.708 0.000) 12.217 14.464 ( 1.859 2.377 0.000) 3.018 14.595 ( 3.201 -8.353 0.000) 8.945 14.623 ( -5.089 -0.593 0.000) 5.124 15.692 ( -5.872 -2.080 0.000) 6.230 16.001 ( -8.767 -4.279 0.000) 9.755 16.115 ( 2.320 1.652 0.000) 2.848 16.731 ( -5.039 4.680 0.000) 6.877 19.751 ( -2.722 -3.415 0.000) 4.367 19.910 ( 5.423 -3.065 0.000) 6.229 19.982 ( -10.118 1.469 0.000) 10.224 20.525 ( 15.686 2.599 0.000) 15.900 23.044 ( 2.489 -1.193 0.000) 2.760 23.229 ( 1.405 1.643 0.000) 2.161 23.412 ( 1.014 -2.671 0.000) 2.857 23.685 ( 1.433 1.094 0.000) 1.802 23.913 ( -15.205 1.124 0.000) 15.247 24.052 ( -4.010 1.451 0.000) 4.265 24.418 ( -3.050 -1.553 0.000) 3.422 24.603 ( -0.636 4.145 0.000) 4.194 24.712 ( -2.133 -6.218 0.000) 6.574 24.987 ( 7.587 0.026 0.000) 7.587 25.452 ( -13.245 0.977 0.000) 13.281 25.766 ( 14.729 1.384 0.000) 14.794 ======================= Grid point 22 (16/100) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( -22.776 12.408 0.000) 25.936 3.317 ( -14.696 16.179 0.000) 21.857 4.022 ( 16.790 -11.122 0.000) 20.140 4.068 ( -12.767 -5.729 0.000) 13.993 4.377 ( 2.049 -6.376 0.000) 6.697 4.580 ( 8.114 -0.112 0.000) 8.114 4.676 ( 26.510 4.407 0.000) 26.874 4.809 ( -9.051 -3.109 0.000) 9.570 5.053 ( -15.352 16.989 0.000) 22.898 5.206 ( 0.565 1.587 0.000) 1.685 5.293 ( 4.700 -7.893 0.000) 9.187 5.457 ( -1.089 -8.002 0.000) 8.075 5.851 ( 8.568 5.611 0.000) 10.242 5.946 ( 5.566 2.193 0.000) 5.982 6.177 ( -13.145 11.027 0.000) 17.157 6.269 ( -0.561 -9.001 0.000) 9.018 6.848 ( -18.701 0.692 0.000) 18.713 7.087 ( 1.495 -1.036 0.000) 1.819 7.088 ( -21.172 -2.873 0.000) 21.366 7.251 ( 5.685 -5.231 0.000) 7.725 7.256 ( -0.751 2.420 0.000) 2.534 7.514 ( -9.474 -4.125 0.000) 10.334 8.052 ( 10.747 5.646 0.000) 12.140 8.202 ( -0.221 -3.910 0.000) 3.917 8.344 ( 0.721 12.004 0.000) 12.025 8.425 ( -1.540 -1.884 0.000) 2.433 8.573 ( -6.205 -7.664 0.000) 9.861 9.036 ( -6.134 -9.306 0.000) 11.146 9.213 ( 8.115 0.430 0.000) 8.127 9.220 ( -1.485 0.326 0.000) 1.520 9.472 ( -23.204 -8.312 0.000) 24.648 9.508 ( -6.955 -3.269 0.000) 7.685 9.963 ( -3.964 -7.783 0.000) 8.734 10.153 ( -16.540 1.864 0.000) 16.645 10.203 ( -7.920 1.507 0.000) 8.062 10.463 ( -15.026 4.364 0.000) 15.647 10.484 ( -11.087 -2.388 0.000) 11.342 10.838 ( 6.175 -3.448 0.000) 7.073 10.975 ( -10.145 4.853 0.000) 11.246 11.157 ( -0.970 2.366 0.000) 2.557 11.507 ( 9.287 5.679 0.000) 10.886 11.656 ( 9.814 -0.351 0.000) 9.820 11.848 ( 16.250 2.688 0.000) 16.470 12.056 ( 27.965 0.737 0.000) 27.975 12.148 ( 2.785 1.991 0.000) 3.424 12.303 ( 5.143 -6.330 0.000) 8.156 12.682 ( 16.465 8.184 0.000) 18.386 13.045 ( 22.282 4.932 0.000) 22.821 13.196 ( -2.688 3.091 0.000) 4.096 13.302 ( 9.724 -6.368 0.000) 11.623 13.358 ( 11.654 -4.495 0.000) 12.491 13.562 ( -2.409 10.446 0.000) 10.720 13.921 ( -5.579 1.572 0.000) 5.796 13.977 ( -2.275 -8.069 0.000) 8.383 14.345 ( 8.146 11.448 0.000) 14.051 14.502 ( 0.615 3.113 0.000) 3.174 14.540 ( 0.242 -2.378 0.000) 2.391 14.782 ( 6.348 -7.566 0.000) 9.876 15.569 ( -9.702 -1.099 0.000) 9.764 15.877 ( -11.518 -9.069 0.000) 14.660 16.080 ( -3.455 2.951 0.000) 4.544 16.561 ( -7.622 5.768 0.000) 9.559 19.743 ( -2.703 -4.859 0.000) 5.560 19.814 ( -6.489 1.500 0.000) 6.660 20.063 ( 6.317 -6.411 0.000) 9.000 20.813 ( 20.407 6.064 0.000) 21.289 23.112 ( 2.919 -1.852 0.000) 3.457 23.258 ( 4.239 3.588 0.000) 5.554 23.444 ( -1.461 -4.766 0.000) 4.985 23.626 ( -4.552 5.497 0.000) 7.137 23.639 ( -13.133 -0.277 0.000) 13.136 23.980 ( -5.704 -5.297 0.000) 7.785 24.375 ( -3.348 -2.035 0.000) 3.918 24.562 ( -0.409 2.778 0.000) 2.808 24.731 ( -1.849 -4.984 0.000) 5.316 25.101 ( 5.893 2.279 0.000) 6.319 25.170 ( -15.771 1.633 0.000) 15.855 26.010 ( 13.767 2.353 0.000) 13.966 ======================= Grid point 23 (17/100) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -20.950 21.466 0.000) 29.995 2.770 ( -20.696 26.280 0.000) 33.450 3.967 ( -6.759 -6.184 0.000) 9.160 4.295 ( 3.102 -6.492 0.000) 7.195 4.454 ( -19.225 34.248 0.000) 39.275 4.508 ( 2.261 -8.689 0.000) 8.979 4.566 ( -5.516 -2.039 0.000) 5.880 4.769 ( -4.918 -15.529 0.000) 16.289 4.867 ( 2.092 9.628 0.000) 9.852 5.349 ( 13.335 -1.693 0.000) 13.442 5.508 ( 8.346 -6.274 0.000) 10.441 5.637 ( 13.859 -5.369 0.000) 14.863 5.760 ( 3.418 17.605 0.000) 17.934 5.878 ( -9.572 2.191 0.000) 9.820 6.182 ( -0.046 -6.270 0.000) 6.271 6.289 ( -4.188 -2.976 0.000) 5.138 6.445 ( -19.162 0.692 0.000) 19.174 6.763 ( -12.561 -2.832 0.000) 12.876 7.159 ( -1.857 -8.961 0.000) 9.151 7.228 ( 1.976 -1.508 0.000) 2.485 7.294 ( -2.232 6.559 0.000) 6.929 7.555 ( 5.294 -15.317 0.000) 16.206 8.057 ( -0.357 16.175 0.000) 16.179 8.151 ( -5.080 -5.516 0.000) 7.498 8.226 ( -1.359 8.755 0.000) 8.860 8.479 ( 1.652 -5.136 0.000) 5.395 8.729 ( 3.953 -10.887 0.000) 11.583 8.995 ( -0.049 1.974 0.000) 1.975 9.124 ( -11.570 -3.798 0.000) 12.177 9.152 ( -17.203 -11.492 0.000) 20.689 9.245 ( 0.755 -3.501 0.000) 3.581 9.651 ( 7.500 -10.836 0.000) 13.179 9.827 ( -19.226 -8.062 0.000) 20.847 9.922 ( -8.525 1.415 0.000) 8.642 10.106 ( -4.557 -2.638 0.000) 5.265 10.240 ( -5.873 1.573 0.000) 6.079 10.296 ( -9.120 -1.337 0.000) 9.217 10.692 ( -12.144 5.838 0.000) 13.475 11.008 ( 6.466 -5.205 0.000) 8.301 11.105 ( -0.516 3.666 0.000) 3.702 11.585 ( 5.063 2.682 0.000) 5.730 11.772 ( 3.478 0.663 0.000) 3.541 12.047 ( 3.944 5.950 0.000) 7.139 12.253 ( 15.449 2.526 0.000) 15.655 12.424 ( 2.167 -4.615 0.000) 5.098 12.519 ( 24.020 3.717 0.000) 24.306 12.845 ( 10.970 13.519 0.000) 17.410 13.142 ( 0.706 5.410 0.000) 5.456 13.311 ( 10.516 -0.164 0.000) 10.517 13.449 ( 1.595 9.072 0.000) 9.211 13.519 ( 9.188 0.718 0.000) 9.216 13.598 ( 9.884 2.647 0.000) 10.232 13.866 ( 2.230 0.696 0.000) 2.336 14.045 ( 1.627 -7.208 0.000) 7.389 14.427 ( -2.049 1.408 0.000) 2.486 14.439 ( 11.597 6.956 0.000) 13.523 14.711 ( 10.813 -4.733 0.000) 11.803 14.936 ( 2.863 -5.185 0.000) 5.923 15.344 ( -14.076 2.094 0.000) 14.231 15.757 ( -12.324 -10.180 0.000) 15.985 15.941 ( -7.789 3.254 0.000) 8.441 16.351 ( -8.968 5.051 0.000) 10.293 19.712 ( -3.464 0.894 0.000) 3.577 19.744 ( -2.395 -4.944 0.000) 5.494 20.272 ( 6.792 -11.288 0.000) 13.174 21.165 ( 26.315 9.033 0.000) 27.822 23.169 ( 0.571 -1.528 0.000) 1.631 23.262 ( -1.615 4.220 0.000) 4.518 23.457 ( -2.564 -5.990 0.000) 6.516 23.459 ( -5.679 5.581 0.000) 7.962 23.503 ( -0.575 -1.400 0.000) 1.514 23.898 ( -13.292 -10.430 0.000) 16.896 24.349 ( -1.056 -1.665 0.000) 1.971 24.525 ( -0.917 2.838 0.000) 2.982 24.731 ( -3.155 -1.570 0.000) 3.524 24.861 ( -14.900 -0.079 0.000) 14.900 25.157 ( 4.072 4.913 0.000) 6.381 26.225 ( 12.171 2.403 0.000) 12.406 ======================= Grid point 24 (18/100) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -14.969 30.256 0.000) 33.757 2.092 ( -19.556 32.751 0.000) 38.146 3.555 ( -14.339 51.503 0.000) 53.462 4.114 ( -0.798 -6.957 0.000) 7.003 4.306 ( -2.687 -2.277 0.000) 3.522 4.535 ( -0.561 -5.387 0.000) 5.416 4.622 ( -2.837 -9.256 0.000) 9.682 4.718 ( -3.329 14.244 0.000) 14.628 4.902 ( -1.142 -24.470 0.000) 24.497 5.503 ( -0.813 1.074 0.000) 1.347 5.674 ( 4.871 -1.160 0.000) 5.008 5.683 ( 0.413 4.836 0.000) 4.854 5.807 ( 7.420 7.208 0.000) 10.345 5.958 ( -15.702 -1.749 0.000) 15.800 5.995 ( 18.091 -2.033 0.000) 18.205 6.197 ( -5.017 1.345 0.000) 5.194 6.269 ( -8.122 -6.562 0.000) 10.442 6.660 ( -0.864 9.210 0.000) 9.250 7.192 ( -2.700 -10.107 0.000) 10.461 7.252 ( -2.683 -1.210 0.000) 2.943 7.252 ( -3.789 0.359 0.000) 3.806 7.866 ( 11.841 -11.967 0.000) 16.835 7.911 ( 3.318 3.635 0.000) 4.921 8.132 ( -0.521 7.552 0.000) 7.570 8.195 ( 1.469 -12.600 0.000) 12.685 8.520 ( -2.591 -6.112 0.000) 6.638 8.667 ( -14.951 -9.196 0.000) 17.553 8.833 ( -9.450 3.097 0.000) 9.944 9.214 ( 11.671 -3.254 0.000) 12.116 9.250 ( -0.717 -7.491 0.000) 7.526 9.263 ( 0.925 -13.650 0.000) 13.681 9.589 ( -8.949 -4.687 0.000) 10.102 9.728 ( -10.721 4.333 0.000) 11.563 9.739 ( -11.114 -6.366 0.000) 12.808 10.090 ( 4.196 -0.281 0.000) 4.206 10.141 ( -2.151 1.757 0.000) 2.778 10.246 ( -2.432 -8.473 0.000) 8.815 10.475 ( -7.424 1.925 0.000) 7.669 11.089 ( 2.272 3.490 0.000) 4.165 11.154 ( 3.318 -5.710 0.000) 6.604 11.664 ( 4.935 0.186 0.000) 4.939 11.798 ( 0.471 0.426 0.000) 0.635 11.945 ( -1.608 14.099 0.000) 14.191 12.450 ( 1.742 -0.989 0.000) 2.003 12.607 ( 12.337 -10.247 0.000) 16.037 12.817 ( 1.340 12.370 0.000) 12.443 12.849 ( 14.746 2.665 0.000) 14.985 13.093 ( 0.535 7.470 0.000) 7.489 13.441 ( 2.969 -0.810 0.000) 3.077 13.463 ( 8.265 6.915 0.000) 10.776 13.600 ( 5.930 10.639 0.000) 12.180 13.669 ( 2.598 3.052 0.000) 4.009 13.906 ( 4.357 9.910 0.000) 10.825 14.182 ( 6.840 -4.764 0.000) 8.336 14.441 ( 1.814 -4.339 0.000) 4.703 14.618 ( 12.412 2.544 0.000) 12.670 14.922 ( -16.759 -7.876 0.000) 18.517 14.976 ( 11.108 -4.355 0.000) 11.931 15.082 ( -2.183 9.265 0.000) 9.519 15.593 ( -14.135 -4.489 0.000) 14.831 15.762 ( -7.741 1.695 0.000) 7.924 16.153 ( -7.013 3.831 0.000) 7.991 19.664 ( -1.302 0.211 0.000) 1.319 19.753 ( -1.547 -4.490 0.000) 4.749 20.523 ( 5.347 -15.728 0.000) 16.612 21.622 ( 32.544 7.778 0.000) 33.461 23.122 ( -6.354 0.067 0.000) 6.354 23.170 ( -3.880 -0.026 0.000) 3.880 23.371 ( -0.183 1.359 0.000) 1.371 23.471 ( -2.136 -5.951 0.000) 6.323 23.590 ( 7.400 1.602 0.000) 7.572 23.665 ( -21.772 -8.263 0.000) 23.287 24.369 ( 0.534 -2.751 0.000) 2.802 24.430 ( -7.623 5.276 0.000) 9.271 24.560 ( -6.122 1.848 0.000) 6.395 24.775 ( -1.851 -3.834 0.000) 4.257 25.152 ( 1.946 7.336 0.000) 7.590 26.404 ( 8.814 1.151 0.000) 8.889 ======================= Grid point 25 (19/100) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.521 ( -0.000 37.879 0.000) 37.879 1.572 ( -0.000 36.607 0.000) 36.607 2.816 ( -0.000 64.818 0.000) 64.818 4.217 ( 0.000 -8.948 0.000) 8.948 4.318 ( 0.000 -4.943 0.000) 4.943 4.516 ( -0.000 17.138 0.000) 17.138 4.565 ( 0.000 -0.035 0.000) 0.035 4.683 ( 0.000 -11.989 0.000) 11.989 5.148 ( 0.000 -24.408 0.000) 24.408 5.456 ( 0.000 -0.848 0.000) 0.848 5.670 ( -0.000 14.292 0.000) 14.292 5.710 ( -0.000 1.591 0.000) 1.591 5.720 ( 0.000 -0.465 0.000) 0.465 5.879 ( -0.000 2.307 0.000) 2.307 6.139 ( 0.000 -0.591 0.000) 0.591 6.212 ( 0.000 -0.415 0.000) 0.415 6.313 ( 0.000 -13.679 0.000) 13.679 6.519 ( -0.000 12.154 0.000) 12.154 7.004 ( -0.000 17.269 0.000) 17.269 7.275 ( 0.000 -10.627 0.000) 10.627 7.320 ( 0.000 -8.787 0.000) 8.787 8.052 ( -0.000 7.938 0.000) 7.938 8.067 ( 0.000 -5.652 0.000) 5.652 8.069 ( 0.000 -14.293 0.000) 14.293 8.451 ( 0.000 -18.972 0.000) 18.972 8.520 ( 0.000 -2.574 0.000) 2.574 8.605 ( 0.000 -12.709 0.000) 12.709 8.729 ( 0.000 -1.214 0.000) 1.214 9.171 ( 0.000 -6.158 0.000) 6.158 9.445 ( -0.000 6.684 0.000) 6.684 9.465 ( -0.000 10.152 0.000) 10.152 9.524 ( 0.000 -4.568 0.000) 4.568 9.538 ( 0.000 -10.392 0.000) 10.392 9.590 ( 0.000 -6.876 0.000) 6.876 10.133 ( -0.000 0.597 0.000) 0.597 10.171 ( 0.000 -3.316 0.000) 3.316 10.328 ( 0.000 -12.381 0.000) 12.381 10.390 ( 0.000 -1.691 0.000) 1.691 11.078 ( -0.000 5.298 0.000) 5.298 11.242 ( 0.000 -5.973 0.000) 5.973 11.731 ( 0.000 -1.063 0.000) 1.063 11.764 ( -0.000 17.638 0.000) 17.638 11.797 ( 0.000 -1.147 0.000) 1.147 12.474 ( 0.000 -2.114 0.000) 2.114 12.704 ( -0.000 12.262 0.000) 12.262 12.895 ( 0.000 -18.992 0.000) 18.992 12.974 ( -0.000 2.226 0.000) 2.226 13.012 ( -0.000 8.641 0.000) 8.641 13.471 ( 0.000 -1.933 0.000) 1.933 13.510 ( -0.000 17.551 0.000) 17.551 13.531 ( -0.000 4.615 0.000) 4.615 13.664 ( -0.000 3.333 0.000) 3.333 13.831 ( -0.000 9.970 0.000) 9.970 14.346 ( 0.000 -2.442 0.000) 2.442 14.518 ( 0.000 -4.887 0.000) 4.887 14.677 ( 0.000 -2.666 0.000) 2.666 14.785 ( 0.000 -2.531 0.000) 2.531 14.999 ( -0.000 10.952 0.000) 10.952 15.125 ( 0.000 -2.296 0.000) 2.296 15.394 ( -0.000 2.929 0.000) 2.929 15.676 ( 0.000 -0.168 0.000) 0.168 16.048 ( -0.000 3.253 0.000) 3.253 19.653 ( 0.000 -0.121 0.000) 0.121 19.780 ( 0.000 -4.041 0.000) 4.041 20.742 ( 0.000 -16.713 0.000) 16.713 22.052 ( 0.000 -2.417 0.000) 2.417 23.006 ( 0.000 -0.802 0.000) 0.802 23.147 ( 0.000 -1.961 0.000) 1.961 23.381 ( -0.000 0.305 0.000) 0.305 23.390 ( -0.000 1.894 0.000) 1.894 23.508 ( 0.000 -6.682 0.000) 6.682 23.655 ( -0.000 3.040 0.000) 3.040 24.260 ( -0.000 6.288 0.000) 6.288 24.411 ( 0.000 -4.274 0.000) 4.274 24.506 ( -0.000 1.686 0.000) 1.686 24.792 ( 0.000 -3.045 0.000) 3.045 25.087 ( -0.000 9.154 0.000) 9.154 26.496 ( 0.000 -0.512 0.000) 0.512 ======================= Grid point 30 (20/100) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 3.367 ( -19.370 -0.000 0.000) 19.370 3.512 ( -5.150 -0.000 0.000) 5.150 3.906 ( 18.379 0.000 0.000) 18.379 3.976 ( -21.422 -0.000 0.000) 21.422 4.277 ( -2.983 -0.000 0.000) 2.983 4.579 ( 7.455 0.000 0.000) 7.455 4.728 ( 29.683 0.000 0.000) 29.683 4.800 ( -2.924 -0.000 0.000) 2.924 5.204 ( -4.057 -0.000 0.000) 4.057 5.212 ( -9.889 -0.000 0.000) 9.889 5.269 ( 2.105 0.000 0.000) 2.105 5.312 ( -0.571 -0.000 0.000) 0.571 5.869 ( 11.784 0.000 0.000) 11.784 5.999 ( 1.185 0.000 0.000) 1.185 6.174 ( 1.974 0.000 0.000) 1.974 6.378 ( -15.249 -0.000 0.000) 15.249 6.822 ( -10.499 -0.000 0.000) 10.499 7.057 ( -1.429 -0.000 0.000) 1.429 7.104 ( -27.515 -0.000 0.000) 27.515 7.111 ( -2.585 -0.000 0.000) 2.585 7.308 ( -0.810 -0.000 0.000) 0.810 7.495 ( 0.907 0.000 0.000) 0.907 8.106 ( 12.504 0.000 0.000) 12.504 8.188 ( 6.243 0.000 0.000) 6.243 8.386 ( -2.446 -0.000 0.000) 2.446 8.471 ( -15.196 -0.000 0.000) 15.196 8.528 ( -0.736 -0.000 0.000) 0.736 8.865 ( -2.582 -0.000 0.000) 2.582 9.231 ( -4.617 -0.000 0.000) 4.617 9.248 ( 13.769 0.000 0.000) 13.769 9.371 ( -21.842 -0.000 0.000) 21.842 9.473 ( -14.395 -0.000 0.000) 14.395 9.887 ( -4.624 -0.000 0.000) 4.624 10.174 ( -17.040 -0.000 0.000) 17.040 10.252 ( -13.717 -0.000 0.000) 13.717 10.427 ( -6.177 -0.000 0.000) 6.177 10.508 ( -17.646 -0.000 0.000) 17.646 10.808 ( 4.263 0.000 0.000) 4.263 11.024 ( -9.255 -0.000 0.000) 9.255 11.175 ( -1.408 -0.000 0.000) 1.408 11.579 ( 3.918 0.000 0.000) 3.918 11.639 ( 12.846 0.000 0.000) 12.846 11.896 ( 17.701 0.000 0.000) 17.701 12.064 ( 30.965 0.000 0.000) 30.965 12.181 ( 3.674 0.000 0.000) 3.674 12.200 ( 6.548 0.000 0.000) 6.548 12.763 ( 20.114 0.000 0.000) 20.114 13.125 ( 23.064 0.000 0.000) 23.064 13.205 ( 4.084 0.000 0.000) 4.084 13.227 ( -2.290 -0.000 0.000) 2.290 13.309 ( 18.101 0.000 0.000) 18.101 13.737 ( 0.859 0.000 0.000) 0.859 13.833 ( -5.651 -0.000 0.000) 5.651 13.941 ( -6.687 -0.000 0.000) 6.687 14.510 ( 2.878 0.000 0.000) 2.878 14.541 ( -3.381 -0.000 0.000) 3.381 14.563 ( 3.349 0.000 0.000) 3.349 14.602 ( 9.364 0.000 0.000) 9.364 15.572 ( -5.718 -0.000 0.000) 5.718 15.777 ( -12.925 -0.000 0.000) 12.925 16.109 ( -3.726 -0.000 0.000) 3.726 16.621 ( -8.947 -0.000 0.000) 8.947 19.692 ( -1.895 -0.000 0.000) 1.895 19.830 ( -7.018 -0.000 0.000) 7.018 19.996 ( 5.283 0.000 0.000) 5.283 20.871 ( 20.444 0.000 0.000) 20.444 23.093 ( 3.097 0.000 0.000) 3.097 23.299 ( 5.392 0.000 0.000) 5.392 23.391 ( -1.922 -0.000 0.000) 1.922 23.638 ( -14.291 -0.000 0.000) 14.291 23.689 ( -2.278 -0.000 0.000) 2.278 23.920 ( -10.201 -0.000 0.000) 10.201 24.354 ( -2.598 -0.000 0.000) 2.598 24.615 ( -1.470 -0.000 0.000) 1.470 24.652 ( -0.023 -0.000 0.000) 0.023 25.124 ( 6.810 0.000 0.000) 6.810 25.189 ( -15.845 -0.000 0.000) 15.845 26.034 ( 13.484 0.000 0.000) 13.484 ======================= Grid point 32 (21/100) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -15.432 10.825 0.000) 18.850 3.268 ( -12.251 23.390 0.000) 26.405 3.714 ( -12.168 -17.306 0.000) 21.155 4.169 ( 8.060 -4.055 0.000) 9.022 4.265 ( -2.299 -9.779 0.000) 10.045 4.593 ( -14.935 1.336 0.000) 14.994 4.601 ( -4.612 -3.256 0.000) 5.646 4.939 ( -12.579 11.922 0.000) 17.331 5.056 ( 3.508 9.688 0.000) 10.304 5.245 ( 10.421 -7.623 0.000) 12.911 5.405 ( 10.909 -2.778 0.000) 11.258 5.554 ( 19.714 -2.876 0.000) 19.923 5.919 ( -8.159 1.835 0.000) 8.363 6.055 ( 5.048 -0.513 0.000) 5.074 6.132 ( -6.691 11.202 0.000) 13.048 6.235 ( 2.672 -1.756 0.000) 3.198 6.487 ( -20.717 5.739 0.000) 21.498 6.676 ( -11.889 -8.363 0.000) 14.536 7.030 ( -3.288 -3.543 0.000) 4.833 7.224 ( -5.791 0.385 0.000) 5.804 7.278 ( 10.792 -9.499 0.000) 14.377 7.454 ( -3.366 5.414 0.000) 6.375 8.164 ( -3.336 9.001 0.000) 9.600 8.276 ( 4.049 4.810 0.000) 6.288 8.373 ( -0.327 -2.925 0.000) 2.943 8.453 ( 3.542 -16.635 0.000) 17.008 8.480 ( 1.386 15.378 0.000) 15.440 8.826 ( -3.852 -14.021 0.000) 14.541 8.945 ( -26.477 -6.668 0.000) 27.304 9.167 ( -15.356 2.181 0.000) 15.511 9.210 ( 0.463 -0.710 0.000) 0.847 9.525 ( 12.304 -1.787 0.000) 12.433 9.719 ( -14.937 -2.624 0.000) 15.166 9.957 ( -7.147 1.243 0.000) 7.254 10.071 ( -5.300 -0.762 0.000) 5.355 10.259 ( -7.675 0.390 0.000) 7.684 10.273 ( -9.660 -1.091 0.000) 9.722 10.783 ( -13.355 2.897 0.000) 13.666 10.932 ( 6.738 -2.088 0.000) 7.054 11.125 ( -3.436 -0.687 0.000) 3.503 11.622 ( 2.232 0.936 0.000) 2.421 11.782 ( 3.989 0.283 0.000) 3.999 12.146 ( 8.308 4.527 0.000) 9.462 12.277 ( 9.676 0.382 0.000) 9.684 12.345 ( 5.063 -3.626 0.000) 6.228 12.575 ( 23.450 1.647 0.000) 23.508 13.080 ( 13.541 8.977 0.000) 16.246 13.220 ( 1.917 2.190 0.000) 2.911 13.261 ( 4.100 -2.975 0.000) 5.066 13.460 ( 14.298 -3.373 0.000) 14.690 13.660 ( 0.556 10.976 0.000) 10.990 13.715 ( 19.395 4.509 0.000) 19.912 13.846 ( -0.592 -1.811 0.000) 1.905 13.878 ( 2.767 -9.378 0.000) 9.778 14.488 ( -0.565 4.047 0.000) 4.086 14.582 ( 5.622 7.140 0.000) 9.088 14.620 ( 7.812 -4.307 0.000) 8.921 14.785 ( 2.028 -8.211 0.000) 8.457 15.443 ( -7.609 6.694 0.000) 10.134 15.586 ( -8.755 -7.723 0.000) 11.674 15.985 ( -8.834 1.121 0.000) 8.905 16.424 ( -10.734 2.023 0.000) 10.923 19.673 ( -1.415 -1.958 0.000) 2.416 19.725 ( -4.105 0.409 0.000) 4.125 20.106 ( 4.284 -4.708 0.000) 6.366 21.272 ( 24.332 2.448 0.000) 24.455 23.142 ( 1.165 -0.857 0.000) 1.446 23.306 ( -7.805 -0.006 0.000) 7.805 23.413 ( 2.598 1.724 0.000) 3.118 23.465 ( 0.440 -2.538 0.000) 2.576 23.573 ( -6.960 5.539 0.000) 8.895 23.732 ( -12.946 -6.505 0.000) 14.489 24.327 ( -0.752 -0.586 0.000) 0.953 24.576 ( -0.936 2.200 0.000) 2.391 24.673 ( -0.156 -2.853 0.000) 2.857 24.879 ( -16.901 0.823 0.000) 16.921 25.226 ( 5.030 1.839 0.000) 5.355 26.256 ( 11.000 0.778 0.000) 11.028 ======================= Grid point 33 (22/100) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -9.882 22.362 0.000) 24.448 2.728 ( -13.689 31.253 0.000) 34.119 3.781 ( -1.427 -17.501 0.000) 17.559 4.266 ( -2.828 -1.883 0.000) 3.398 4.363 ( -4.073 -11.111 0.000) 11.834 4.412 ( -1.565 -14.950 0.000) 15.032 4.485 ( -12.069 31.169 0.000) 33.424 4.560 ( -3.768 -5.025 0.000) 6.280 4.970 ( -0.230 10.661 0.000) 10.663 5.474 ( 4.685 -4.838 0.000) 6.735 5.627 ( 8.285 -2.807 0.000) 8.747 5.722 ( -8.740 2.650 0.000) 9.133 5.902 ( -13.792 -1.626 0.000) 13.888 5.958 ( 19.197 -1.661 0.000) 19.268 5.959 ( -4.897 1.412 0.000) 5.097 6.218 ( -1.967 7.033 0.000) 7.303 6.251 ( -0.876 3.673 0.000) 3.776 6.809 ( 11.998 0.027 0.000) 11.998 7.018 ( -2.603 -6.753 0.000) 7.237 7.172 ( -3.369 -7.619 0.000) 8.331 7.289 ( -6.184 6.730 0.000) 9.140 7.615 ( 14.370 -11.690 0.000) 18.524 8.049 ( -3.094 1.406 0.000) 3.398 8.163 ( -8.253 17.059 0.000) 18.951 8.259 ( -2.276 5.237 0.000) 5.710 8.421 ( 1.951 -3.453 0.000) 3.966 8.473 ( -19.555 -8.537 0.000) 21.337 8.851 ( 3.627 -24.933 0.000) 25.195 8.865 ( -12.801 0.182 0.000) 12.802 9.087 ( 11.009 -10.378 0.000) 15.130 9.175 ( -7.270 -2.095 0.000) 7.566 9.527 ( -4.766 -1.909 0.000) 5.134 9.652 ( -1.147 0.285 0.000) 1.182 9.823 ( -6.090 4.007 0.000) 7.290 10.070 ( 1.828 -3.688 0.000) 4.116 10.148 ( -4.198 -1.447 0.000) 4.441 10.168 ( -2.588 0.919 0.000) 2.746 10.540 ( -8.275 3.973 0.000) 9.179 11.060 ( 3.626 -3.464 0.000) 5.014 11.094 ( -1.197 -2.504 0.000) 2.776 11.662 ( 2.582 -0.295 0.000) 2.598 11.816 ( 0.933 0.929 0.000) 1.317 12.153 ( 0.732 7.348 0.000) 7.384 12.425 ( 1.453 -1.796 0.000) 2.310 12.473 ( 7.879 -2.536 0.000) 8.277 12.846 ( 5.885 -0.129 0.000) 5.886 13.096 ( 6.096 12.853 0.000) 14.225 13.223 ( 1.732 5.168 0.000) 5.451 13.393 ( 3.362 -2.808 0.000) 4.381 13.611 ( 3.929 6.981 0.000) 8.011 13.710 ( 9.451 1.460 0.000) 9.563 13.753 ( 1.381 3.911 0.000) 4.148 14.070 ( 12.469 2.447 0.000) 12.707 14.073 ( 9.800 -5.708 0.000) 11.341 14.431 ( -0.076 6.048 0.000) 6.048 14.638 ( 3.722 -0.018 0.000) 3.722 14.790 ( -8.947 -5.073 0.000) 10.285 14.869 ( 11.496 -6.486 0.000) 13.200 15.224 ( -6.842 4.648 0.000) 8.271 15.554 ( -1.713 -0.177 0.000) 1.722 15.789 ( -10.001 0.967 0.000) 10.047 16.218 ( -8.260 2.449 0.000) 8.615 19.669 ( -1.736 0.262 0.000) 1.756 19.676 ( -0.904 -2.996 0.000) 3.130 20.250 ( 2.962 -10.778 0.000) 11.178 21.706 ( 24.318 1.928 0.000) 24.394 23.109 ( -7.041 -1.031 0.000) 7.116 23.162 ( -6.309 -0.652 0.000) 6.343 23.395 ( -1.368 -1.997 0.000) 2.421 23.415 ( -3.345 2.875 0.000) 4.411 23.554 ( -11.873 -3.907 0.000) 12.499 23.617 ( 9.569 1.007 0.000) 9.622 24.332 ( 0.222 -1.131 0.000) 1.153 24.516 ( -6.165 3.424 0.000) 7.052 24.589 ( -8.182 1.062 0.000) 8.251 24.703 ( -0.629 -3.255 0.000) 3.315 25.268 ( 2.648 4.131 0.000) 4.907 26.417 ( 6.822 0.318 0.000) 6.830 ======================= Grid point 34 (23/100) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.233 ( -0.000 29.915 0.000) 29.915 2.249 ( -0.000 35.712 0.000) 35.712 3.949 ( -0.000 48.394 0.000) 48.394 3.962 ( 0.000 -16.897 0.000) 16.897 4.234 ( 0.000 -3.433 0.000) 3.433 4.442 ( 0.000 -11.577 0.000) 11.577 4.546 ( 0.000 -1.751 0.000) 1.751 4.642 ( 0.000 -25.420 0.000) 25.420 4.840 ( -0.000 14.902 0.000) 14.902 5.477 ( -0.000 2.101 0.000) 2.101 5.686 ( 0.000 -3.055 0.000) 3.055 5.722 ( 0.000 -0.519 0.000) 0.519 5.749 ( 0.000 -1.329 0.000) 1.329 6.020 ( 0.000 -13.454 0.000) 13.454 6.095 ( -0.000 14.092 0.000) 14.092 6.179 ( -0.000 4.494 0.000) 4.494 6.185 ( 0.000 -1.940 0.000) 1.940 6.833 ( -0.000 17.451 0.000) 17.451 7.078 ( 0.000 -8.908 0.000) 8.908 7.190 ( 0.000 -1.971 0.000) 1.971 7.212 ( 0.000 -2.781 0.000) 2.781 7.949 ( -0.000 5.687 0.000) 5.687 7.961 ( 0.000 -3.704 0.000) 3.704 8.038 ( 0.000 -20.177 0.000) 20.177 8.191 ( -0.000 5.958 0.000) 5.958 8.335 ( 0.000 -12.901 0.000) 12.901 8.488 ( 0.000 -1.170 0.000) 1.170 8.707 ( 0.000 -0.380 0.000) 0.380 9.090 ( 0.000 -2.140 0.000) 2.140 9.165 ( 0.000 -24.150 0.000) 24.150 9.360 ( 0.000 -12.119 0.000) 12.119 9.528 ( 0.000 -2.052 0.000) 2.052 9.544 ( -0.000 4.991 0.000) 4.991 9.673 ( -0.000 9.126 0.000) 9.126 10.131 ( 0.000 -0.679 0.000) 0.679 10.145 ( -0.000 0.486 0.000) 0.486 10.150 ( 0.000 -6.827 0.000) 6.827 10.419 ( -0.000 3.784 0.000) 3.784 11.115 ( 0.000 -1.773 0.000) 1.773 11.132 ( 0.000 -4.694 0.000) 4.694 11.704 ( 0.000 -1.474 0.000) 1.474 11.810 ( -0.000 1.455 0.000) 1.455 12.059 ( -0.000 11.771 0.000) 11.771 12.445 ( 0.000 -0.961 0.000) 0.961 12.608 ( 0.000 -9.085 0.000) 9.085 12.858 ( -0.000 2.050 0.000) 2.050 13.072 ( -0.000 10.028 0.000) 10.028 13.175 ( -0.000 7.411 0.000) 7.411 13.433 ( 0.000 -1.785 0.000) 1.785 13.620 ( -0.000 3.872 0.000) 3.872 13.729 ( -0.000 2.974 0.000) 2.974 13.762 ( -0.000 7.391 0.000) 7.391 14.109 ( -0.000 14.507 0.000) 14.507 14.275 ( 0.000 -4.410 0.000) 4.410 14.412 ( 0.000 -3.461 0.000) 3.461 14.614 ( 0.000 -3.453 0.000) 3.453 14.741 ( 0.000 -1.806 0.000) 1.806 15.057 ( 0.000 -4.825 0.000) 4.825 15.133 ( -0.000 3.266 0.000) 3.266 15.494 ( -0.000 6.245 0.000) 6.245 15.674 ( 0.000 -0.065 0.000) 0.065 16.110 ( -0.000 2.736 0.000) 2.736 19.653 ( -0.000 0.069 0.000) 0.069 19.700 ( 0.000 -3.708 0.000) 3.708 20.412 ( 0.000 -15.392 0.000) 15.392 22.003 ( 0.000 -2.329 0.000) 2.329 22.991 ( 0.000 -0.596 0.000) 0.596 23.113 ( 0.000 -1.405 0.000) 1.405 23.389 ( -0.000 0.421 0.000) 0.421 23.409 ( 0.000 -3.484 0.000) 3.484 23.425 ( -0.000 1.557 0.000) 1.557 23.710 ( -0.000 2.360 0.000) 2.360 24.351 ( 0.000 -1.991 0.000) 1.991 24.362 ( -0.000 4.020 0.000) 4.020 24.537 ( -0.000 1.547 0.000) 1.547 24.729 ( 0.000 -3.178 0.000) 3.178 25.241 ( -0.000 6.222 0.000) 6.222 26.486 ( 0.000 -0.463 0.000) 0.463 ======================= Grid point 41 (24/100) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.844 ( -7.854 -0.000 0.000) 7.854 3.224 ( -14.691 -0.000 0.000) 14.691 3.417 ( -0.225 -0.000 0.000) 0.225 4.164 ( -1.906 -0.000 0.000) 1.906 4.243 ( 2.106 0.000 0.000) 2.106 4.309 ( -12.917 -0.000 0.000) 12.917 4.520 ( -1.991 -0.000 0.000) 1.991 4.801 ( -8.876 -0.000 0.000) 8.876 5.091 ( -0.767 -0.000 0.000) 0.767 5.395 ( 7.217 0.000 0.000) 7.217 5.594 ( 9.749 0.000 0.000) 9.749 5.765 ( -9.768 -0.000 0.000) 9.768 5.881 ( -13.337 -0.000 0.000) 13.337 5.939 ( 19.208 0.000 0.000) 19.208 5.960 ( -13.483 -0.000 0.000) 13.483 6.299 ( 3.060 0.000 0.000) 3.060 6.396 ( -1.149 -0.000 0.000) 1.149 6.716 ( 18.489 0.000 0.000) 18.489 6.949 ( -2.580 -0.000 0.000) 2.580 7.080 ( -7.443 -0.000 0.000) 7.443 7.359 ( -9.750 -0.000 0.000) 9.750 7.486 ( 15.069 0.000 0.000) 15.069 8.303 ( -1.247 -0.000 0.000) 1.247 8.307 ( 3.513 0.000 0.000) 3.513 8.348 ( 2.226 0.000 0.000) 2.226 8.359 ( -5.826 -0.000 0.000) 5.826 8.404 ( -26.091 -0.000 0.000) 26.091 8.438 ( -7.370 -0.000 0.000) 7.370 8.868 ( 13.724 0.000 0.000) 13.724 8.908 ( -12.056 -0.000 0.000) 12.056 9.157 ( -6.926 -0.000 0.000) 6.926 9.509 ( -3.792 -0.000 0.000) 3.792 9.692 ( 3.779 0.000 0.000) 3.779 9.864 ( -4.460 -0.000 0.000) 4.460 10.003 ( -1.555 -0.000 0.000) 1.555 10.143 ( -2.956 -0.000 0.000) 2.956 10.177 ( -2.602 -0.000 0.000) 2.602 10.590 ( -8.115 -0.000 0.000) 8.115 11.025 ( 3.956 0.000 0.000) 3.956 11.053 ( -2.935 -0.000 0.000) 2.935 11.658 ( 1.681 0.000 0.000) 1.681 11.826 ( 1.071 0.000 0.000) 1.071 12.231 ( 0.912 0.000 0.000) 0.912 12.405 ( 2.838 0.000 0.000) 2.838 12.454 ( 6.945 0.000 0.000) 6.945 12.844 ( 4.524 0.000 0.000) 4.524 13.265 ( 3.862 0.000 0.000) 3.862 13.277 ( 2.253 0.000 0.000) 2.253 13.343 ( 6.749 0.000 0.000) 6.749 13.694 ( -1.555 -0.000 0.000) 1.555 13.717 ( 12.247 0.000 0.000) 12.247 13.788 ( -1.258 -0.000 0.000) 1.258 14.002 ( 13.574 0.000 0.000) 13.574 14.060 ( 11.043 0.000 0.000) 11.043 14.564 ( 3.715 0.000 0.000) 3.715 14.635 ( -3.572 -0.000 0.000) 3.572 14.738 ( -1.778 -0.000 0.000) 1.778 14.762 ( 11.146 0.000 0.000) 11.146 15.267 ( -10.589 -0.000 0.000) 10.589 15.558 ( 4.171 0.000 0.000) 4.171 15.799 ( -10.791 -0.000 0.000) 10.791 16.243 ( -8.774 -0.000 0.000) 8.774 19.646 ( -0.651 -0.000 0.000) 0.651 19.672 ( -1.914 -0.000 0.000) 1.914 20.138 ( 2.029 0.000 0.000) 2.029 21.722 ( 21.853 0.000 0.000) 21.853 23.097 ( -6.840 -0.000 0.000) 6.840 23.154 ( -6.525 -0.000 0.000) 6.525 23.378 ( -1.825 -0.000 0.000) 1.825 23.462 ( -8.451 -0.000 0.000) 8.451 23.501 ( -5.049 -0.000 0.000) 5.049 23.627 ( 10.409 0.000 0.000) 10.409 24.322 ( 0.192 0.000 0.000) 0.192 24.555 ( -6.172 -0.000 0.000) 6.172 24.600 ( -8.888 -0.000 0.000) 8.888 24.664 ( 0.339 0.000 0.000) 0.339 25.309 ( 2.827 0.000 0.000) 2.827 26.420 ( 6.201 0.000 0.000) 6.201 ======================= Grid point 43 (25/100) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.696 ( -0.000 14.556 0.000) 14.556 2.899 ( -0.000 28.389 0.000) 28.389 3.566 ( 0.000 -21.695 0.000) 21.695 4.188 ( 0.000 -1.162 0.000) 1.162 4.214 ( 0.000 -12.715 0.000) 12.715 4.283 ( 0.000 -5.794 0.000) 5.794 4.512 ( 0.000 -1.215 0.000) 1.215 4.623 ( -0.000 18.017 0.000) 18.017 5.060 ( -0.000 6.094 0.000) 6.094 5.477 ( 0.000 -2.202 0.000) 2.202 5.640 ( 0.000 -0.234 0.000) 0.234 5.700 ( 0.000 -1.080 0.000) 1.080 5.736 ( -0.000 0.382 0.000) 0.382 5.861 ( 0.000 -3.120 0.000) 3.120 6.154 ( 0.000 -0.884 0.000) 0.884 6.285 ( -0.000 4.591 0.000) 4.591 6.341 ( -0.000 9.838 0.000) 9.838 6.950 ( 0.000 -3.526 0.000) 3.526 7.011 ( 0.000 -1.282 0.000) 1.282 7.041 ( 0.000 -7.360 0.000) 7.360 7.183 ( 0.000 -0.577 0.000) 0.577 7.742 ( 0.000 -8.367 0.000) 8.367 8.040 ( -0.000 9.528 0.000) 9.528 8.161 ( -0.000 9.305 0.000) 9.305 8.196 ( -0.000 4.639 0.000) 4.639 8.277 ( -0.000 2.492 0.000) 2.492 8.463 ( 0.000 -1.055 0.000) 1.055 8.632 ( 0.000 -28.636 0.000) 28.636 8.744 ( -0.000 4.482 0.000) 4.482 9.067 ( 0.000 -0.449 0.000) 0.449 9.088 ( 0.000 -12.903 0.000) 12.903 9.501 ( 0.000 -0.712 0.000) 0.712 9.667 ( -0.000 6.040 0.000) 6.040 9.798 ( -0.000 3.325 0.000) 3.325 10.023 ( 0.000 -5.532 0.000) 5.532 10.131 ( -0.000 0.241 0.000) 0.241 10.151 ( -0.000 0.156 0.000) 0.156 10.499 ( -0.000 3.161 0.000) 3.161 11.043 ( 0.000 -3.509 0.000) 3.509 11.069 ( 0.000 -1.582 0.000) 1.582 11.681 ( 0.000 -0.680 0.000) 0.680 11.832 ( -0.000 0.555 0.000) 0.555 12.217 ( -0.000 4.151 0.000) 4.151 12.432 ( 0.000 -0.360 0.000) 0.360 12.521 ( 0.000 -1.123 0.000) 1.123 12.859 ( 0.000 -0.440 0.000) 0.440 13.279 ( -0.000 7.843 0.000) 7.843 13.284 ( -0.000 3.096 0.000) 3.096 13.407 ( 0.000 -0.733 0.000) 0.733 13.673 ( -0.000 1.460 0.000) 1.460 13.771 ( -0.000 1.180 0.000) 1.180 13.834 ( -0.000 0.674 0.000) 0.674 14.172 ( 0.000 -2.905 0.000) 2.905 14.198 ( 0.000 -2.542 0.000) 2.542 14.546 ( -0.000 10.872 0.000) 10.872 14.558 ( 0.000 -1.733 0.000) 1.733 14.717 ( 0.000 -0.611 0.000) 0.611 14.937 ( 0.000 -6.337 0.000) 6.337 15.166 ( -0.000 0.604 0.000) 0.604 15.591 ( -0.000 2.815 0.000) 2.815 15.673 ( 0.000 -0.012 0.000) 0.012 16.148 ( -0.000 1.056 0.000) 1.056 19.647 ( 0.000 -1.469 0.000) 1.469 19.654 ( -0.000 0.073 0.000) 0.073 20.188 ( 0.000 -6.307 0.000) 6.307 21.969 ( 0.000 -0.968 0.000) 0.968 22.983 ( 0.000 -0.214 0.000) 0.214 23.094 ( 0.000 -0.497 0.000) 0.497 23.366 ( 0.000 -1.003 0.000) 1.003 23.396 ( -0.000 0.206 0.000) 0.206 23.447 ( -0.000 0.594 0.000) 0.594 23.743 ( -0.000 0.876 0.000) 0.876 24.327 ( 0.000 -0.546 0.000) 0.546 24.415 ( -0.000 1.357 0.000) 1.357 24.565 ( -0.000 1.048 0.000) 1.048 24.677 ( 0.000 -1.742 0.000) 1.742 25.325 ( -0.000 2.197 0.000) 2.197 26.479 ( 0.000 -0.186 0.000) 0.186 ======================= Grid point 85 (26/100) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 0.000 38.808) 38.808 0.940 ( 0.000 0.000 45.847) 45.847 1.366 ( 0.000 0.000 66.653) 66.653 3.742 ( 0.000 0.000 -27.518) 27.518 4.049 ( 0.000 0.000 -24.332) 24.332 4.445 ( 0.000 0.000 -2.477) 2.477 4.558 ( 0.000 0.000 -0.848) 0.848 5.103 ( 0.000 0.000 -12.737) 12.737 5.185 ( 0.000 0.000 14.530) 14.530 5.505 ( 0.000 0.000 -15.112) 15.112 5.537 ( 0.000 0.000 -3.117) 3.117 5.613 ( 0.000 0.000 -1.654) 1.654 5.735 ( 0.000 0.000 2.072) 2.072 5.889 ( 0.000 0.000 -0.442) 0.442 5.992 ( 0.000 0.000 -12.657) 12.657 6.125 ( 0.000 0.000 -3.653) 3.653 6.375 ( 0.000 0.000 -4.839) 4.839 6.393 ( 0.000 0.000 9.754) 9.754 6.936 ( 0.000 0.000 22.599) 22.599 7.579 ( 0.000 0.000 -10.030) 10.030 7.651 ( 0.000 0.000 -19.857) 19.857 7.674 ( 0.000 0.000 -0.867) 0.867 8.348 ( 0.000 0.000 -29.143) 29.143 8.515 ( 0.000 0.000 5.101) 5.101 8.594 ( 0.000 0.000 0.531) 0.531 8.639 ( 0.000 0.000 -3.740) 3.740 8.649 ( 0.000 0.000 7.856) 7.856 8.899 ( 0.000 0.000 12.025) 12.025 8.942 ( 0.000 0.000 19.923) 19.923 9.024 ( 0.000 0.000 3.263) 3.263 9.448 ( 0.000 0.000 7.056) 7.056 9.529 ( 0.000 0.000 -3.980) 3.980 9.733 ( 0.000 0.000 -0.080) 0.080 9.758 ( 0.000 0.000 11.513) 11.513 10.137 ( 0.000 0.000 2.174) 2.174 10.350 ( 0.000 0.000 37.372) 37.372 10.397 ( 0.000 0.000 11.338) 11.338 10.809 ( 0.000 0.000 4.572) 4.572 11.102 ( 0.000 0.000 3.627) 3.627 11.200 ( 0.000 0.000 -0.093) 0.093 11.671 ( 0.000 0.000 -3.584) 3.584 11.678 ( 0.000 0.000 -7.502) 7.502 11.897 ( 0.000 0.000 -9.791) 9.791 11.920 ( 0.000 0.000 -4.158) 4.158 12.347 ( 0.000 0.000 -18.142) 18.142 12.599 ( 0.000 0.000 -14.252) 14.252 12.647 ( 0.000 0.000 -1.130) 1.130 12.969 ( 0.000 0.000 -2.860) 2.860 13.423 ( 0.000 0.000 -6.449) 6.449 13.629 ( 0.000 0.000 8.218) 8.218 13.655 ( 0.000 0.000 5.467) 5.467 13.831 ( 0.000 0.000 9.394) 9.394 14.072 ( 0.000 0.000 -19.487) 19.487 14.490 ( 0.000 0.000 -6.195) 6.195 14.595 ( 0.000 0.000 0.444) 0.444 14.704 ( 0.000 0.000 -1.853) 1.853 14.787 ( 0.000 0.000 6.109) 6.109 14.825 ( 0.000 0.000 -2.217) 2.217 15.072 ( 0.000 0.000 3.560) 3.560 15.189 ( 0.000 0.000 0.850) 0.850 15.750 ( 0.000 0.000 5.952) 5.952 15.986 ( 0.000 0.000 1.465) 1.465 19.690 ( 0.000 0.000 2.959) 2.959 19.963 ( 0.000 0.000 -1.430) 1.430 21.152 ( 0.000 0.000 2.422) 2.422 21.437 ( 0.000 0.000 -2.019) 2.019 23.039 ( 0.000 0.000 1.148) 1.148 23.191 ( 0.000 0.000 -1.117) 1.117 23.358 ( 0.000 0.000 1.501) 1.501 23.404 ( 0.000 0.000 2.731) 2.731 23.559 ( 0.000 0.000 -1.491) 1.491 23.940 ( 0.000 0.000 -5.974) 5.974 24.427 ( 0.000 0.000 0.065) 0.065 24.509 ( 0.000 0.000 -1.636) 1.636 24.700 ( 0.000 0.000 2.670) 2.670 24.876 ( 0.000 0.000 1.064) 1.064 25.233 ( 0.000 0.000 4.802) 4.802 25.791 ( 0.000 0.000 -3.670) 3.670 ======================= Grid point 86 (27/100) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 25.507 -15.704 25.678) 39.454 1.197 ( 20.854 -22.137 28.493) 41.675 2.042 ( 45.798 -18.300 47.070) 68.176 3.780 ( 1.539 -4.467 -26.675) 27.091 4.073 ( 1.720 -2.172 -21.342) 21.521 4.385 ( -5.539 0.374 -1.063) 5.652 4.546 ( 0.029 0.841 -3.969) 4.057 5.097 ( -3.261 0.190 -9.009) 9.583 5.204 ( 1.706 -1.483 11.515) 11.735 5.452 ( -3.726 3.352 -7.930) 9.381 5.480 ( -2.745 1.785 -10.170) 10.684 5.712 ( 5.514 -0.934 3.287) 6.487 5.774 ( 0.601 -0.394 -4.154) 4.216 5.916 ( 4.907 2.112 -5.091) 7.379 5.994 ( 4.392 -2.340 2.294) 5.480 6.245 ( 11.417 6.517 -9.158) 16.021 6.311 ( -8.724 -3.966 11.263) 14.788 6.497 ( 10.072 -6.620 -5.691) 13.329 7.009 ( 6.484 -1.603 14.840) 16.274 7.487 ( -6.200 3.131 -15.153) 16.669 7.567 ( -1.981 3.881 -12.100) 12.861 7.728 ( 2.509 4.645 -5.394) 7.547 8.246 ( -7.972 2.523 -7.153) 11.004 8.324 ( -3.858 6.382 9.495) 12.073 8.528 ( -7.056 0.774 6.486) 9.616 8.648 ( 2.488 6.455 -2.812) 7.468 8.777 ( -8.222 -2.786 1.997) 8.908 8.923 ( 11.040 -6.199 2.344) 12.876 9.050 ( 9.636 13.184 4.558) 16.954 9.213 ( 9.212 -7.205 2.154) 11.891 9.530 ( 1.488 -14.705 -5.944) 15.930 9.626 ( 5.277 0.431 -0.484) 5.317 9.783 ( 1.674 -11.124 6.510) 12.997 9.903 ( 16.325 2.557 -4.253) 17.062 10.128 ( -0.242 0.753 2.400) 2.527 10.325 ( -3.064 2.403 16.595) 17.045 10.423 ( 8.119 5.425 28.294) 29.931 10.788 ( -2.332 -4.225 3.004) 5.684 11.057 ( 2.693 7.587 9.777) 12.665 11.296 ( 0.888 -3.160 -2.600) 4.188 11.563 ( -3.024 9.808 0.947) 10.308 11.611 ( -6.719 -0.313 -6.369) 9.263 11.771 ( -5.578 6.003 -9.178) 12.303 11.920 ( -9.572 -10.746 -11.440) 18.384 12.345 ( -0.491 -0.431 -17.289) 17.301 12.603 ( -3.110 -3.844 -14.378) 15.205 12.612 ( -9.018 -4.571 -3.974) 10.863 12.831 ( -13.486 -5.857 4.604) 15.407 13.260 ( -29.184 -3.628 12.110) 31.804 13.386 ( -6.172 -1.720 -3.830) 7.465 13.664 ( 2.904 -0.720 8.326) 8.847 13.765 ( -1.845 1.646 7.626) 8.017 13.843 ( -1.966 -2.941 10.165) 10.763 14.297 ( -1.504 6.721 -2.076) 7.193 14.463 ( -10.372 -1.985 -3.829) 11.233 14.541 ( -0.280 -1.665 -4.410) 4.722 14.770 ( -0.012 -3.137 6.138) 6.893 15.107 ( -3.042 3.289 2.515) 5.138 15.221 ( 13.502 1.471 1.785) 13.699 15.771 ( 2.103 -0.631 5.596) 6.011 15.938 ( 41.092 13.415 -28.823) 51.954 16.039 ( 5.885 -0.479 -0.422) 5.920 19.695 ( 0.430 -0.148 2.939) 2.974 19.950 ( -0.829 -0.174 0.356) 0.918 20.810 ( -40.593 -17.403 21.876) 49.287 21.024 ( -10.731 4.786 1.833) 11.892 23.077 ( 3.625 -0.805 0.918) 3.825 23.155 ( -3.806 -0.178 0.049) 3.811 23.361 ( 0.434 0.434 0.036) 0.615 23.521 ( -2.683 -0.736 -1.490) 3.155 23.720 ( 16.466 4.807 -4.854) 17.827 24.055 ( 12.421 1.992 -7.422) 14.606 24.451 ( 4.521 4.132 0.218) 6.129 24.488 ( 0.407 2.600 0.078) 2.633 24.685 ( 0.285 4.868 3.753) 6.153 24.878 ( 4.801 4.341 0.235) 6.476 25.113 ( -1.240 6.873 10.773) 12.839 25.952 ( -4.935 -18.576 -12.425) 22.887 ======================= Grid point 87 (28/100) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 30.386 -17.258 13.463) 37.449 1.951 ( 31.786 -25.024 12.052) 42.211 3.134 ( 48.411 -21.480 30.881) 61.308 3.872 ( 3.385 -4.906 -21.309) 22.127 4.163 ( 1.819 -8.626 -15.635) 17.949 4.277 ( -6.500 -3.452 -0.100) 7.361 4.533 ( -1.289 2.556 -11.225) 11.585 4.974 ( -5.979 3.437 -2.954) 7.502 5.246 ( -1.700 -0.162 12.859) 12.971 5.292 ( -7.434 2.060 -9.825) 12.492 5.417 ( -1.639 7.628 -8.108) 11.253 5.689 ( -5.155 -0.104 2.020) 5.538 5.823 ( 0.398 -3.394 3.229) 4.702 5.911 ( -0.047 4.847 -0.662) 4.892 6.185 ( 5.830 -3.246 -2.719) 7.206 6.298 ( 6.442 -5.038 1.366) 8.292 6.458 ( 19.161 8.550 0.078) 20.982 6.778 ( 13.123 -3.257 -6.953) 15.204 7.170 ( 1.418 -6.443 -1.698) 6.812 7.354 ( -0.376 2.990 -16.780) 17.048 7.435 ( -1.553 10.097 -7.581) 12.722 7.747 ( -1.111 -2.416 -8.770) 9.164 8.055 ( -5.961 8.875 8.334) 13.556 8.120 ( -6.582 10.834 9.597) 15.900 8.423 ( -8.288 -3.642 7.504) 11.759 8.571 ( 0.337 0.559 11.555) 11.573 8.824 ( 10.114 5.465 -11.455) 16.229 8.990 ( -2.872 3.035 8.375) 9.359 9.235 ( 13.529 -1.328 -0.418) 13.601 9.409 ( 8.022 0.334 2.197) 8.325 9.554 ( -0.346 4.368 7.375) 8.578 9.789 ( 7.477 -9.896 -15.051) 19.503 9.960 ( 8.667 -1.288 4.052) 9.654 10.082 ( -4.116 4.037 2.371) 6.234 10.170 ( 3.691 -1.386 5.609) 6.856 10.329 ( 9.928 -8.787 1.343) 13.326 10.567 ( 15.990 14.177 18.834) 28.485 10.841 ( 2.410 -5.544 -1.581) 6.248 11.024 ( 2.899 12.915 14.451) 19.597 11.174 ( -8.926 5.292 -2.051) 10.578 11.443 ( -7.087 2.496 -2.490) 7.915 11.551 ( -3.024 -9.000 -0.831) 9.531 11.634 ( -3.392 0.603 -10.919) 11.449 11.778 ( -15.272 -8.702 -11.680) 21.105 12.269 ( -13.763 -1.351 -6.804) 15.412 12.415 ( -7.090 -0.146 -12.069) 13.998 12.509 ( -14.626 -12.548 -2.357) 19.415 12.762 ( -7.847 -12.092 -5.368) 15.382 12.949 ( -10.699 -5.945 8.268) 14.770 13.293 ( -6.663 -3.128 -1.004) 7.429 13.724 ( -0.931 2.959 6.577) 7.272 13.766 ( 5.017 -0.147 7.403) 8.944 13.845 ( 0.450 -1.118 6.488) 6.599 14.203 ( -1.601 6.463 -5.787) 8.822 14.298 ( -8.042 1.458 -4.733) 9.445 14.509 ( -3.164 2.462 1.269) 4.205 14.776 ( -3.535 -5.245 1.485) 6.497 14.969 ( -7.115 2.553 5.464) 9.327 15.512 ( 18.340 3.755 2.155) 18.844 15.838 ( 2.872 -3.332 4.947) 6.620 16.137 ( 4.138 -3.737 -0.907) 5.649 16.302 ( 18.951 18.294 -13.649) 29.667 19.713 ( 1.337 -0.704 2.781) 3.165 19.956 ( 1.359 -0.476 0.436) 1.505 20.459 ( -20.516 -17.190 9.017) 28.243 20.717 ( -14.567 7.706 0.573) 16.490 23.101 ( -3.015 -2.324 0.410) 3.829 23.172 ( 4.616 -1.656 0.098) 4.905 23.350 ( -0.977 0.246 1.719) 1.992 23.513 ( 1.390 -0.387 -0.427) 1.504 23.845 ( 7.989 10.093 -0.516) 12.882 24.248 ( 6.510 0.832 -9.823) 11.813 24.465 ( 1.215 3.408 1.370) 3.868 24.503 ( 4.434 6.698 -0.027) 8.033 24.673 ( 4.251 0.741 4.671) 6.359 24.972 ( 8.079 2.786 -0.967) 8.601 25.065 ( -2.520 -4.098 9.167) 10.353 25.941 ( -9.291 -8.812 -8.690) 15.476 ======================= Grid point 88 (29/100) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 29.535 -15.987 5.810) 34.083 2.784 ( 33.646 -20.147 8.267) 40.079 3.983 ( 4.278 -4.164 -10.841) 12.376 4.103 ( 9.109 -12.238 6.209) 16.471 4.200 ( 14.933 -9.934 10.383) 20.724 4.354 ( 4.186 -13.766 -15.799) 21.370 4.417 ( -3.910 3.433 -7.744) 9.330 4.814 ( -13.198 3.520 2.594) 13.903 5.006 ( -6.303 10.678 0.829) 12.427 5.267 ( -3.390 7.048 -6.110) 9.925 5.303 ( -0.556 -3.940 -0.561) 4.018 5.641 ( -0.882 -2.851 4.506) 5.405 5.730 ( -2.959 8.953 -2.183) 9.679 5.997 ( 5.886 -2.976 -0.389) 6.607 6.165 ( -8.901 0.428 4.078) 9.800 6.493 ( 8.065 2.482 -15.482) 17.633 6.712 ( 15.217 4.258 1.928) 15.918 7.031 ( 2.549 -1.479 -5.155) 5.938 7.067 ( 0.552 -0.601 -5.615) 5.674 7.341 ( 2.695 8.955 -7.129) 11.759 7.536 ( 7.414 -1.789 -8.540) 11.450 7.730 ( -2.133 -7.713 1.520) 8.145 7.890 ( -2.042 8.456 10.246) 13.440 7.956 ( -5.226 0.754 -4.701) 7.069 8.335 ( -1.580 -0.105 12.477) 12.577 8.633 ( 5.567 4.117 9.714) 11.930 8.842 ( -4.109 4.314 5.528) 8.128 8.993 ( 12.388 5.178 -5.311) 14.439 9.402 ( -4.416 -1.618 10.587) 11.585 9.504 ( 10.836 -1.101 -0.145) 10.892 9.658 ( 13.450 2.378 -2.648) 13.913 9.817 ( -12.046 9.299 5.721) 16.257 9.930 ( -3.532 -6.317 -8.548) 11.201 10.155 ( 15.020 3.787 -1.133) 15.532 10.357 ( 10.638 -0.572 1.275) 10.730 10.594 ( 5.677 -4.885 3.796) 8.396 10.673 ( 9.089 12.403 6.566) 16.720 10.902 ( 0.266 4.882 7.880) 9.273 10.920 ( -2.214 -2.130 -2.615) 4.035 11.045 ( 1.693 1.898 2.216) 3.373 11.280 ( -9.409 0.791 -2.491) 9.765 11.470 ( -7.785 -2.100 -12.191) 14.616 11.588 ( -10.062 -2.547 -6.116) 12.047 11.734 ( -0.032 -9.831 -5.103) 11.076 11.977 ( -13.036 -5.921 3.088) 14.647 12.343 ( -2.928 0.713 -9.548) 10.012 12.377 ( -11.438 -10.790 -1.784) 15.825 12.645 ( -16.846 -13.758 -3.403) 22.015 12.973 ( 4.147 -4.552 0.624) 6.189 13.230 ( -4.494 -5.984 -1.063) 7.558 13.653 ( -2.195 5.451 6.492) 8.757 13.712 ( -6.158 3.583 8.997) 11.477 13.950 ( 5.814 1.068 3.918) 7.091 14.118 ( -3.590 3.930 -5.247) 7.474 14.165 ( -0.875 2.765 -5.970) 6.637 14.407 ( -4.773 1.719 2.218) 5.537 14.723 ( -4.139 0.557 3.671) 5.561 14.842 ( -5.248 -0.458 2.054) 5.654 15.775 ( 14.259 4.978 2.945) 15.387 15.924 ( 1.011 -5.714 3.971) 7.032 16.245 ( 1.696 -7.175 -1.257) 7.479 16.391 ( 10.463 16.215 -5.633) 20.103 19.765 ( 3.062 -2.008 2.343) 4.347 20.003 ( 4.150 1.833 -0.287) 4.546 20.298 ( -14.009 -11.860 1.435) 18.411 20.385 ( -12.264 6.901 0.340) 14.076 23.091 ( -1.301 -3.545 1.042) 3.917 23.229 ( -0.131 1.331 1.766) 2.215 23.367 ( 2.575 -3.774 -1.057) 4.689 23.566 ( 3.362 0.445 -0.253) 3.401 23.871 ( 6.351 9.496 0.985) 11.466 24.231 ( -3.885 4.948 -4.271) 7.604 24.467 ( 1.276 0.351 -0.015) 1.323 24.506 ( 2.366 4.288 0.273) 4.905 24.802 ( 6.982 -1.125 2.155) 7.393 25.011 ( -2.936 -3.490 3.546) 5.777 25.187 ( 11.442 -0.219 1.887) 11.598 25.816 ( -10.895 -4.241 -5.821) 13.060 ======================= Grid point 89 (30/100) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 26.811 -11.421 0.183) 29.143 3.542 ( 26.507 -11.415 7.143) 29.732 3.819 ( -16.147 1.289 -3.381) 16.547 4.122 ( -4.796 -4.690 0.015) 6.708 4.243 ( -8.383 -1.248 1.254) 8.567 4.338 ( -11.229 14.168 2.068) 18.196 4.587 ( 3.042 -11.849 -14.977) 19.338 4.766 ( -0.195 5.672 -8.054) 9.852 4.973 ( 14.149 -6.481 9.582) 18.276 5.183 ( -1.182 5.365 -1.625) 5.729 5.391 ( 1.580 -12.473 -3.514) 13.055 5.562 ( -2.071 13.463 -5.475) 14.680 5.711 ( 4.104 -3.269 5.720) 7.761 5.898 ( -11.887 4.788 7.466) 14.831 6.183 ( 9.454 -4.973 -5.140) 11.855 6.444 ( -7.826 9.301 -16.067) 20.147 6.904 ( 8.261 -3.711 2.363) 9.359 7.033 ( 0.948 0.128 -0.070) 0.959 7.156 ( 1.636 -3.469 -1.989) 4.321 7.299 ( -2.678 8.227 -5.041) 10.013 7.590 ( 3.155 -2.976 -5.627) 7.104 7.708 ( -5.252 1.951 0.410) 5.617 7.899 ( 6.670 4.245 7.870) 11.155 7.944 ( -1.808 -6.582 -6.253) 9.257 8.369 ( 3.213 -4.808 12.546) 13.815 8.537 ( -5.808 8.831 7.356) 12.878 8.949 ( 14.136 -2.254 2.349) 14.506 9.162 ( 6.899 6.027 -1.676) 9.313 9.297 ( -4.954 -1.611 10.215) 11.467 9.459 ( -14.158 4.609 8.394) 17.093 9.713 ( 9.166 -1.588 -1.786) 9.473 9.866 ( -6.688 -1.000 -2.776) 7.310 9.950 ( 16.249 -0.992 -6.851) 17.662 10.243 ( -7.359 7.141 -4.037) 11.021 10.477 ( 7.399 -1.824 -3.405) 8.347 10.593 ( -1.040 5.383 6.403) 8.429 10.736 ( 7.599 0.464 2.448) 7.997 10.925 ( -1.665 -2.912 -0.125) 3.357 10.948 ( -2.640 1.277 0.017) 2.933 11.023 ( -4.650 -2.700 0.531) 5.403 11.215 ( 8.332 -0.437 2.168) 8.620 11.400 ( -5.409 -0.583 -8.724) 10.282 11.452 ( -2.094 -0.569 -2.072) 3.001 11.583 ( -12.102 -0.764 -7.153) 14.079 12.114 ( 10.177 -6.063 -0.719) 11.868 12.283 ( -5.800 -0.699 -6.269) 8.569 12.319 ( 1.706 -0.523 -0.441) 1.838 12.451 ( -14.953 -7.521 -0.560) 16.747 13.123 ( 6.007 -5.358 -1.765) 8.241 13.229 ( -2.554 -2.883 -4.134) 5.650 13.548 ( -2.203 6.741 8.709) 11.231 13.551 ( -5.416 1.021 10.498) 11.857 13.981 ( 1.755 2.822 0.267) 3.334 14.015 ( -3.684 0.502 -2.507) 4.484 14.216 ( 6.195 2.420 -2.852) 7.237 14.308 ( -5.852 -1.312 -0.137) 5.999 14.686 ( 2.117 1.198 4.071) 4.742 14.755 ( -5.274 -0.823 0.701) 5.384 15.929 ( 8.417 6.161 3.014) 10.857 15.969 ( -3.048 -6.544 3.218) 7.904 16.335 ( -1.593 -10.604 -1.460) 10.821 16.390 ( 5.551 13.555 -2.457) 14.852 19.873 ( 5.414 -4.187 1.754) 7.065 20.024 ( -1.378 7.330 1.412) 7.591 20.146 ( -2.897 -1.029 -2.152) 3.753 20.206 ( -7.517 -3.554 -0.540) 8.332 23.120 ( 0.634 -3.536 1.944) 4.085 23.178 ( -1.896 2.949 2.650) 4.395 23.483 ( 3.467 -5.892 -3.243) 7.567 23.577 ( -0.309 4.471 -2.503) 5.133 23.933 ( 7.387 2.489 2.458) 8.174 24.078 ( -7.142 3.318 0.802) 7.916 24.490 ( 0.427 -1.322 -1.055) 1.744 24.504 ( 0.796 2.206 -0.622) 2.426 24.915 ( 5.532 1.613 2.323) 6.213 24.979 ( -4.408 -3.704 3.129) 6.553 25.415 ( 13.094 1.051 -1.103) 13.182 25.633 ( -12.194 -2.128 -3.498) 12.863 ======================= Grid point 95 (31/100) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 33.514 0.000 16.741) 37.463 1.722 ( 38.717 0.000 10.118) 40.017 2.924 ( 53.920 0.000 35.940) 64.800 3.818 ( 4.803 0.000 -24.109) 24.582 4.064 ( -0.376 -0.000 -14.551) 14.556 4.246 ( -8.760 -0.000 1.301) 8.857 4.559 ( -0.476 -0.000 -11.752) 11.761 4.991 ( -7.178 -0.000 -5.505) 9.046 5.252 ( 2.582 0.000 9.418) 9.766 5.338 ( -7.068 -0.000 -4.154) 8.198 5.485 ( -1.312 -0.000 -8.540) 8.640 5.729 ( -0.984 -0.000 8.237) 8.295 5.734 ( -4.665 -0.000 -5.668) 7.341 5.957 ( -4.729 -0.000 8.956) 10.127 6.164 ( 15.721 0.000 -11.961) 19.754 6.235 ( 3.180 0.000 2.602) 4.109 6.642 ( 22.459 0.000 -7.903) 23.809 6.654 ( 12.536 0.000 0.593) 12.550 7.083 ( 2.460 0.000 2.119) 3.247 7.386 ( -6.768 -0.000 -21.903) 22.924 7.586 ( 1.542 0.000 -14.600) 14.681 7.689 ( -6.014 -0.000 -5.215) 7.960 8.103 ( -11.229 -0.000 6.232) 12.842 8.352 ( -4.738 -0.000 10.847) 11.837 8.455 ( 4.115 0.000 12.772) 13.418 8.466 ( -10.024 -0.000 14.578) 17.692 8.869 ( 6.275 0.000 -6.669) 9.157 9.003 ( 5.548 0.000 10.009) 11.444 9.232 ( 5.658 0.000 -2.998) 6.403 9.495 ( 10.920 0.000 2.353) 11.171 9.541 ( 2.112 0.000 -14.176) 14.332 9.609 ( 6.441 0.000 2.750) 7.003 9.936 ( 16.323 0.000 -0.644) 16.336 10.080 ( 1.523 0.000 0.346) 1.562 10.155 ( 4.141 0.000 4.414) 6.052 10.282 ( 0.365 0.000 15.718) 15.722 10.769 ( 23.067 0.000 19.430) 30.160 10.774 ( 2.881 0.000 -3.756) 4.734 11.085 ( -6.282 -0.000 12.577) 14.058 11.305 ( 1.215 0.000 -2.672) 2.935 11.461 ( -8.662 -0.000 -5.564) 10.295 11.508 ( -7.974 -0.000 -0.584) 7.995 11.613 ( -7.725 -0.000 -10.455) 12.999 11.682 ( -13.615 -0.000 -6.071) 14.908 12.289 ( -22.303 -0.000 5.681) 23.015 12.299 ( -5.404 -0.000 -14.699) 15.661 12.434 ( -6.148 -0.000 -10.595) 12.250 12.628 ( -11.461 -0.000 -7.573) 13.737 12.887 ( -6.653 -0.000 8.148) 10.519 13.243 ( -9.164 -0.000 -0.395) 9.172 13.756 ( 6.559 0.000 6.889) 9.512 13.765 ( 0.530 0.000 6.120) 6.143 13.830 ( 0.849 0.000 7.228) 7.278 14.290 ( -3.895 -0.000 -4.875) 6.240 14.321 ( -5.640 -0.000 -8.704) 10.372 14.550 ( 1.232 0.000 -6.710) 6.822 14.691 ( -5.241 -0.000 9.814) 11.126 15.001 ( -6.989 -0.000 6.352) 9.444 15.549 ( 17.871 0.000 2.007) 17.984 15.803 ( 1.833 0.000 5.000) 5.325 16.097 ( 3.223 0.000 -0.859) 3.336 16.532 ( 15.601 0.000 -23.393) 28.119 19.709 ( 1.240 0.000 2.184) 2.511 19.902 ( -2.892 -0.000 -0.804) 3.002 20.284 ( -10.707 -0.000 21.966) 24.436 20.796 ( -15.851 -0.000 0.803) 15.871 23.077 ( -3.586 -0.000 0.736) 3.661 23.154 ( 4.911 0.000 -0.045) 4.911 23.353 ( -1.567 -0.000 2.474) 2.929 23.508 ( 1.634 0.000 -0.673) 1.767 23.969 ( 8.290 0.000 -1.853) 8.495 24.220 ( 5.427 0.000 -7.527) 9.280 24.523 ( 1.168 0.000 2.729) 2.968 24.546 ( 5.084 0.000 -0.301) 5.093 24.716 ( 1.037 0.000 3.636) 3.781 24.997 ( 5.424 0.000 -0.547) 5.452 25.055 ( -5.874 -0.000 4.870) 7.630 25.819 ( -2.605 -0.000 -9.587) 9.935 ======================= Grid point 96 (32/100) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 34.452 -10.009 9.842) 37.202 2.494 ( 39.896 -7.278 0.697) 40.561 3.882 ( 39.847 -6.377 22.364) 46.137 3.938 ( 6.846 -0.610 -16.148) 17.550 4.097 ( -0.646 -4.074 -1.278) 4.318 4.115 ( -1.203 -6.143 -4.572) 7.751 4.464 ( -8.834 1.052 -12.514) 15.354 4.859 ( -8.281 1.073 2.654) 8.762 5.158 ( -7.718 0.148 -10.022) 12.651 5.293 ( -0.209 9.186 10.382) 13.865 5.416 ( -2.686 1.107 -6.568) 7.182 5.601 ( -4.499 1.031 1.835) 4.967 5.744 ( -2.309 -6.185 6.441) 9.223 5.947 ( 2.273 -1.775 0.246) 2.895 6.223 ( -1.967 5.648 -1.555) 6.180 6.473 ( 13.379 -3.284 -15.808) 20.968 6.834 ( 9.905 5.808 2.023) 11.659 6.999 ( 7.458 -1.073 -3.287) 8.221 7.123 ( 1.939 3.743 -12.349) 13.049 7.312 ( 2.608 -7.895 -17.054) 18.973 7.562 ( 0.356 3.685 -1.967) 4.193 7.661 ( -2.407 -0.598 -4.865) 5.461 7.814 ( -15.467 -3.796 3.394) 16.283 8.206 ( -4.264 8.754 9.072) 13.308 8.374 ( 3.628 6.256 18.077) 19.470 8.626 ( 5.794 -5.819 13.493) 15.795 8.922 ( -0.448 3.523 8.784) 9.475 9.072 ( 5.712 1.586 4.751) 7.598 9.358 ( -8.210 -1.793 0.512) 8.419 9.417 ( 7.084 -4.789 -9.289) 12.626 9.696 ( 10.764 2.463 0.720) 11.066 9.883 ( 11.697 -0.342 -12.515) 17.133 9.958 ( -10.103 4.439 5.622) 12.384 10.228 ( 13.204 -2.325 -0.321) 13.411 10.306 ( 12.106 3.930 2.566) 12.984 10.449 ( 12.582 -7.182 7.930) 16.516 10.733 ( -13.772 -3.524 1.417) 14.286 10.968 ( 4.487 1.897 -0.799) 4.937 11.092 ( 8.570 13.076 0.851) 15.657 11.232 ( -7.162 13.238 3.026) 15.352 11.291 ( -9.749 0.264 -5.341) 11.119 11.407 ( -6.007 -2.930 -1.073) 6.769 11.502 ( 4.467 -11.035 -0.867) 11.937 11.557 ( -3.115 -3.297 -2.919) 5.394 11.892 ( -20.370 -3.801 7.320) 21.976 12.191 ( -7.477 -4.106 -6.730) 10.865 12.360 ( -4.633 -0.468 -11.867) 12.748 12.414 ( -10.983 -7.556 -6.965) 15.041 12.908 ( 4.022 -1.693 0.854) 4.447 13.104 ( -7.019 -4.658 0.611) 8.446 13.734 ( -4.014 2.445 7.757) 9.070 13.770 ( -1.073 1.640 5.786) 6.108 13.967 ( 10.086 0.534 4.621) 11.107 14.194 ( -5.655 1.619 -5.810) 8.268 14.217 ( -2.946 2.347 -8.024) 8.864 14.492 ( -3.442 6.886 0.694) 7.730 14.646 ( -3.968 -6.777 1.013) 7.919 14.873 ( -5.693 1.769 7.251) 9.387 15.818 ( 4.803 -1.478 2.749) 5.728 15.860 ( 9.651 0.597 4.651) 10.729 16.142 ( -0.000 -2.904 -1.558) 3.296 16.666 ( 6.494 9.072 -10.897) 15.596 19.742 ( 2.365 -0.208 1.448) 2.781 19.890 ( -3.039 -8.159 -1.648) 8.861 20.211 ( 0.196 0.525 9.345) 9.362 20.485 ( -15.361 2.697 0.766) 15.615 23.039 ( -1.267 -1.451 1.479) 2.429 23.243 ( 3.840 0.207 -1.099) 4.000 23.319 ( -1.536 -1.108 2.654) 3.261 23.566 ( 3.996 -0.126 0.274) 4.007 24.042 ( 3.755 6.216 -1.014) 7.333 24.249 ( -3.468 -1.765 -7.175) 8.163 24.519 ( 0.866 4.067 3.645) 5.530 24.614 ( 1.115 3.764 -0.801) 4.007 24.762 ( 5.732 -1.144 5.216) 7.833 24.903 ( -7.314 -5.529 4.288) 10.122 25.210 ( 13.266 1.147 -0.996) 13.353 25.752 ( -6.535 -1.878 -7.621) 10.214 ======================= Grid point 97 (33/100) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 32.191 -10.223 3.662) 33.974 3.289 ( 35.557 -10.516 -0.646) 37.085 3.875 ( -11.534 3.259 -0.574) 11.999 4.037 ( -1.994 -2.896 -3.852) 5.215 4.253 ( -5.489 1.324 -0.679) 5.687 4.284 ( 4.685 -13.560 -13.116) 19.438 4.579 ( -11.713 8.000 4.637) 14.923 4.700 ( 20.525 -7.518 12.381) 25.121 5.063 ( -1.717 7.414 -5.387) 9.324 5.162 ( -3.724 -3.702 -3.891) 6.535 5.364 ( 1.747 8.027 -7.350) 11.023 5.606 ( 1.284 -5.162 6.276) 8.227 5.748 ( -1.572 -0.497 2.534) 3.023 5.964 ( -6.450 0.644 6.174) 8.951 6.119 ( 1.914 3.213 -4.663) 5.978 6.651 ( 2.103 8.511 -23.573) 25.150 6.812 ( -3.477 -1.504 -2.270) 4.416 7.030 ( 1.181 -3.332 -6.324) 7.245 7.158 ( 4.279 4.903 2.807) 7.087 7.421 ( -7.292 3.015 3.168) 8.503 7.482 ( -2.408 -7.408 -4.518) 9.005 7.674 ( 3.324 -12.722 -1.216) 13.205 7.774 ( 1.934 4.257 -8.738) 9.910 8.072 ( -0.423 6.392 4.844) 8.031 8.386 ( 3.173 5.939 18.461) 19.651 8.674 ( -3.748 3.007 9.381) 10.540 8.918 ( 5.688 0.862 6.801) 8.908 9.156 ( -2.536 -6.407 10.385) 12.463 9.260 ( -2.923 -3.814 1.079) 4.924 9.574 ( -1.499 -1.712 -0.383) 2.307 9.640 ( -9.160 8.775 1.865) 12.821 9.853 ( 8.004 0.943 -0.516) 8.076 10.036 ( 5.920 4.078 -11.714) 13.744 10.287 ( -15.607 -7.049 -5.622) 18.024 10.467 ( 10.045 6.009 -3.690) 12.273 10.639 ( 1.406 -4.723 0.734) 4.982 10.750 ( 11.625 1.605 6.715) 13.521 10.929 ( -5.686 4.299 1.587) 7.302 11.013 ( -0.792 5.401 -1.394) 5.634 11.035 ( -3.457 4.150 -2.058) 5.780 11.194 ( 3.982 -1.924 -1.198) 4.582 11.367 ( -2.077 -5.151 -6.273) 8.379 11.422 ( -8.998 0.490 -1.057) 9.073 11.629 ( -1.114 4.416 2.293) 5.099 11.958 ( 15.428 -8.600 -0.179) 17.664 12.164 ( 0.624 -6.314 -0.395) 6.357 12.267 ( -8.844 -9.667 -3.241) 13.497 12.385 ( 3.881 2.676 -7.406) 8.779 13.016 ( 4.408 -4.121 -1.382) 6.191 13.105 ( 0.322 -7.406 -1.403) 7.544 13.588 ( -8.312 2.177 9.794) 13.029 13.706 ( -0.973 7.310 5.499) 9.198 14.057 ( 0.352 3.840 0.919) 3.964 14.073 ( -2.852 3.339 -3.243) 5.459 14.222 ( 3.018 -0.458 -4.266) 5.246 14.363 ( -1.974 5.958 0.597) 6.304 14.639 ( -2.807 -5.307 0.477) 6.022 14.768 ( -3.608 1.466 4.711) 6.112 15.842 ( -3.253 -5.251 2.866) 6.810 16.031 ( 8.033 3.676 3.583) 9.533 16.159 ( -3.107 -6.765 -1.099) 7.525 16.644 ( 2.338 10.897 -4.773) 12.124 19.803 ( 2.799 -2.487 0.792) 3.827 19.929 ( -3.044 -10.699 -1.512) 11.226 20.169 ( -8.250 5.681 2.129) 10.240 20.282 ( 3.448 3.183 1.238) 4.853 23.056 ( 0.829 -2.543 2.112) 3.408 23.236 ( -0.996 2.686 2.541) 3.829 23.378 ( 2.864 -4.479 -2.379) 5.825 23.630 ( 2.449 1.129 -0.758) 2.801 24.013 ( -0.171 5.119 -1.176) 5.255 24.137 ( -7.902 1.257 -1.117) 8.079 24.487 ( -0.490 2.250 1.472) 2.733 24.573 ( 0.211 3.976 0.202) 3.986 24.858 ( -4.801 -7.854 2.648) 9.578 24.907 ( 5.671 -1.924 3.570) 6.972 25.454 ( 14.506 2.179 -1.728) 14.770 25.614 ( -9.223 -0.039 -4.572) 10.294 ======================= Grid point 98 (34/100) ======================= q-point: (-0.56 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( -17.558 10.665 1.280) 20.583 3.626 ( 11.062 -1.683 -0.373) 11.195 3.820 ( -5.387 -1.840 9.135) 10.764 4.043 ( 23.229 -8.181 -2.594) 24.764 4.261 ( -2.323 5.179 -0.327) 5.686 4.296 ( 3.289 3.092 0.145) 4.516 4.485 ( 1.280 -12.227 -9.774) 15.705 4.862 ( -1.043 8.138 -16.530) 18.454 4.997 ( -3.120 -6.288 3.083) 7.666 5.208 ( -2.055 2.966 4.324) 5.632 5.341 ( 1.454 -1.306 -2.986) 3.569 5.675 ( 1.226 8.654 -2.282) 9.034 5.714 ( -3.228 -4.246 5.853) 7.919 5.827 ( 4.211 2.746 7.151) 8.741 6.163 ( -5.101 -4.993 -8.795) 11.327 6.441 ( -2.117 8.578 -7.484) 11.579 6.852 ( -5.462 -4.000 -4.513) 8.136 7.075 ( -1.006 -9.621 -7.466) 12.220 7.169 ( 3.619 6.641 0.701) 7.595 7.258 ( -5.817 3.894 4.458) 8.299 7.547 ( -2.189 -7.494 0.404) 7.817 7.681 ( -7.882 -2.730 -2.925) 8.840 7.804 ( 3.579 0.441 -0.682) 3.670 8.084 ( 3.836 3.276 -3.767) 6.296 8.387 ( 0.728 -0.051 9.373) 9.401 8.541 ( -2.399 6.498 8.980) 11.341 8.921 ( -14.459 -4.544 4.577) 15.832 9.112 ( -8.407 0.361 -1.486) 8.545 9.235 ( 6.293 -5.234 9.196) 12.311 9.438 ( -1.016 -1.566 12.474) 12.613 9.627 ( -2.707 -2.392 -0.274) 3.623 9.861 ( -14.905 -1.444 -10.138) 18.084 10.006 ( -0.524 -3.519 -0.775) 3.642 10.171 ( 0.122 -0.094 -0.943) 0.955 10.447 ( -4.579 4.108 -4.038) 7.359 10.625 ( -11.999 -1.611 1.686) 12.223 10.698 ( -0.610 2.640 -2.158) 3.464 10.873 ( -5.894 -4.566 3.758) 8.349 11.045 ( 5.971 4.228 1.184) 7.412 11.106 ( 15.344 6.485 -0.807) 16.677 11.211 ( -8.363 -1.062 -2.044) 8.674 11.409 ( 11.871 -0.267 -2.086) 12.056 11.458 ( 1.817 1.338 -10.839) 11.071 11.640 ( 12.234 4.472 -0.870) 13.055 12.139 ( -0.744 -3.714 -5.653) 6.804 12.203 ( -1.059 -5.203 -1.057) 5.414 12.389 ( 11.846 2.476 -1.923) 12.254 12.565 ( 20.262 4.725 1.091) 20.834 13.139 ( 0.661 -4.744 -3.635) 6.013 13.203 ( 3.693 -3.529 -3.577) 6.236 13.455 ( -2.684 -1.506 10.968) 11.391 13.623 ( 1.134 6.915 8.934) 11.354 13.976 ( -2.404 1.914 -1.528) 3.432 14.063 ( 2.506 2.239 -0.915) 3.483 14.182 ( -4.089 2.277 -0.029) 4.680 14.370 ( 5.232 3.966 -2.117) 6.898 14.628 ( -3.863 -4.031 0.932) 5.660 14.760 ( 3.829 -1.053 3.198) 5.099 15.798 ( -7.960 -6.177 2.430) 10.365 16.073 ( -0.296 1.161 0.851) 1.470 16.161 ( -4.399 -6.755 1.543) 8.208 16.549 ( -1.213 10.220 -2.186) 10.521 19.868 ( -2.061 -6.892 0.828) 7.241 19.964 ( -7.127 3.615 3.128) 8.582 20.012 ( 3.466 -7.642 -0.874) 8.437 20.387 ( 12.254 8.063 -3.189) 15.011 23.110 ( 1.681 -2.843 2.205) 3.971 23.200 ( 0.846 3.416 2.289) 4.198 23.468 ( 1.152 -5.602 -2.878) 6.402 23.596 ( -2.896 5.023 -3.441) 6.742 23.905 ( -10.113 -0.788 2.044) 10.348 24.044 ( 0.750 -0.080 1.077) 1.315 24.461 ( -1.650 -0.718 0.032) 1.800 24.545 ( 0.063 2.748 0.044) 2.749 24.838 ( -4.855 -5.938 0.997) 7.735 25.005 ( 3.145 -0.404 1.770) 3.632 25.425 ( -9.878 1.762 0.109) 10.035 25.690 ( 13.956 3.176 -2.786) 14.581 ======================= Grid point 99 (35/100) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( -23.389 18.633 5.252) 30.362 3.169 ( -26.153 17.525 12.583) 33.903 4.072 ( -2.935 3.426 -7.123) 8.431 4.219 ( 15.783 -2.232 -4.867) 16.667 4.282 ( 0.671 -3.249 -3.882) 5.106 4.443 ( -4.646 3.243 -5.631) 7.988 4.618 ( -10.249 7.638 -1.856) 12.916 4.747 ( 4.482 3.315 3.879) 6.792 4.905 ( 7.194 0.029 -10.018) 12.334 5.093 ( -3.933 -4.358 4.262) 7.254 5.470 ( 4.697 -3.963 -2.615) 6.678 5.556 ( 1.321 7.252 -1.584) 7.539 5.670 ( -0.829 -0.422 2.417) 2.590 6.031 ( -6.736 0.221 -1.097) 6.828 6.091 ( 13.231 -7.474 5.106) 16.031 6.416 ( -4.429 -2.751 -8.980) 10.384 6.683 ( -13.715 -0.275 -2.799) 14.000 7.066 ( -8.836 -2.480 -5.471) 10.684 7.119 ( -4.121 2.270 2.006) 5.115 7.185 ( 0.146 1.689 -2.646) 3.142 7.497 ( -5.089 -6.061 -10.492) 13.142 7.606 ( -7.446 -12.774 13.811) 20.232 7.897 ( 4.495 6.106 0.574) 7.604 8.064 ( 1.959 4.867 -9.226) 10.613 8.359 ( -0.384 1.493 -0.251) 1.562 8.556 ( 1.632 -1.325 10.535) 10.743 8.742 ( -2.620 -5.559 5.487) 8.239 8.935 ( -10.540 0.321 -5.205) 11.760 9.400 ( 3.094 -1.582 13.559) 13.997 9.446 ( -9.426 -7.564 6.780) 13.857 9.569 ( -17.904 -5.673 -6.922) 20.016 9.638 ( 6.193 -6.967 4.284) 10.259 10.028 ( -0.428 -2.007 1.819) 2.742 10.128 ( -7.099 -2.043 -4.958) 8.897 10.264 ( -12.107 -1.384 -3.318) 12.629 10.511 ( -12.018 -2.007 2.829) 12.508 10.551 ( -6.336 -6.896 11.490) 14.823 10.915 ( 4.629 -2.650 -2.321) 5.818 11.008 ( -1.805 11.140 8.990) 14.428 11.086 ( -3.605 2.556 -0.383) 4.436 11.287 ( 7.671 2.572 -4.471) 9.244 11.485 ( 4.437 0.525 -14.216) 14.902 11.655 ( 16.647 3.747 -9.124) 19.350 11.877 ( 11.686 5.147 -7.358) 14.738 12.142 ( 9.168 8.679 3.929) 13.222 12.284 ( 3.231 -3.769 -9.643) 10.846 12.579 ( 14.900 8.160 1.194) 17.031 12.886 ( 19.561 8.606 -2.239) 21.488 13.071 ( -3.069 5.469 0.083) 6.272 13.286 ( 1.734 -0.190 -4.657) 4.973 13.535 ( 4.435 -5.776 7.736) 10.625 13.664 ( 6.014 -0.367 11.884) 13.324 13.933 ( -2.387 -0.457 2.467) 3.463 14.096 ( -2.649 -2.954 -2.591) 4.739 14.143 ( 8.584 5.532 -2.620) 10.543 14.408 ( 2.197 1.654 -1.893) 3.338 14.654 ( 3.136 -4.833 5.068) 7.673 14.867 ( 5.980 0.213 0.479) 6.003 15.661 ( -13.612 -5.811 2.364) 14.988 16.020 ( -4.609 -0.009 0.596) 4.648 16.111 ( -9.097 -7.968 1.199) 12.152 16.405 ( -4.307 8.331 -1.108) 9.443 19.810 ( -4.327 1.998 3.282) 5.786 19.897 ( -3.610 -6.383 2.733) 7.826 20.214 ( 9.033 -9.244 -0.643) 12.941 20.563 ( 17.638 11.897 -5.583) 21.995 23.150 ( 1.407 0.753 0.425) 1.651 23.212 ( 2.489 1.280 2.656) 3.858 23.456 ( -5.084 4.737 -3.479) 7.771 23.523 ( -1.490 -4.300 -2.052) 4.992 23.729 ( -9.908 -3.680 4.019) 11.307 24.094 ( -1.185 -7.421 -2.044) 7.788 24.433 ( -2.694 -1.746 0.661) 3.278 24.514 ( -0.665 2.520 -0.075) 2.607 24.789 ( -5.188 -2.457 -0.654) 5.778 25.010 ( -4.627 -1.878 -1.799) 5.307 25.251 ( -3.928 4.977 8.113) 10.297 25.903 ( 13.130 4.261 -4.319) 14.464 ======================= Grid point 100 (36/100) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -24.438 23.781 10.715) 35.743 2.477 ( -25.280 25.469 15.429) 39.062 3.715 ( -32.237 32.480 16.148) 48.528 3.993 ( -4.283 8.113 -13.577) 16.386 4.274 ( -0.398 1.678 -7.423) 7.620 4.407 ( -3.246 7.104 -11.421) 13.837 4.465 ( 2.969 -3.654 -9.269) 10.397 4.847 ( 2.722 -7.754 1.051) 8.285 5.139 ( 2.308 -12.705 -0.660) 12.929 5.222 ( 10.018 -3.624 -8.135) 13.404 5.448 ( 6.303 12.849 4.413) 14.977 5.683 ( 3.266 -3.704 -2.116) 5.372 5.760 ( 9.266 -5.078 -1.698) 10.702 5.898 ( -6.782 1.689 3.215) 7.693 6.229 ( -8.776 0.393 -2.051) 9.021 6.314 ( -12.918 -5.923 2.620) 14.450 6.433 ( -2.434 7.040 3.412) 8.193 6.801 ( -12.779 -0.518 -7.181) 14.667 7.133 ( -0.731 -9.960 -7.752) 12.642 7.240 ( 2.674 -1.600 -3.315) 4.550 7.408 ( -7.364 -0.058 -4.275) 8.515 7.692 ( -0.507 -11.091 -3.012) 11.503 7.878 ( 6.775 1.056 1.772) 7.082 8.063 ( -0.910 0.126 4.635) 4.725 8.472 ( 8.652 -3.324 -1.449) 9.381 8.533 ( 0.608 3.061 7.971) 8.560 8.713 ( -9.935 -4.524 -9.674) 14.586 8.913 ( 3.191 -4.487 4.319) 6.997 9.244 ( -14.334 -1.279 3.607) 14.836 9.350 ( -7.493 -6.860 -0.030) 10.159 9.467 ( -0.098 -3.883 11.564) 12.199 9.810 ( -8.726 -11.612 -0.423) 14.532 9.958 ( -0.997 2.526 -8.483) 8.907 10.029 ( -9.683 -1.799 4.470) 10.816 10.160 ( 1.051 -4.988 0.323) 5.108 10.227 ( -16.579 -6.371 10.612) 20.690 10.556 ( -4.306 -2.993 15.352) 16.223 10.864 ( -2.285 5.095 10.770) 12.131 10.965 ( -0.071 5.991 -2.054) 6.334 11.092 ( 6.468 -2.632 0.717) 7.019 11.387 ( 4.806 -2.371 -7.847) 9.502 11.572 ( 3.294 -2.016 -12.920) 13.485 11.804 ( 0.903 10.255 -5.956) 11.894 11.979 ( 16.561 11.043 -9.759) 22.169 12.340 ( 12.247 5.848 -7.734) 15.621 12.393 ( 8.740 -1.535 -8.484) 12.277 12.729 ( 7.897 8.507 -9.027) 14.704 13.004 ( 5.841 6.385 10.643) 13.717 13.120 ( 17.255 13.727 -2.481) 22.188 13.323 ( 4.002 1.378 -1.288) 4.425 13.651 ( 2.354 -4.141 7.535) 8.914 13.755 ( 0.197 -0.915 9.473) 9.520 13.880 ( -0.329 2.431 4.561) 5.179 14.123 ( 2.721 -2.400 -2.440) 4.372 14.297 ( 11.565 2.738 -3.347) 12.347 14.461 ( 3.479 -2.391 1.356) 4.434 14.804 ( 6.787 -3.171 1.678) 7.676 14.962 ( 6.056 2.283 1.772) 6.710 15.413 ( -19.030 -5.537 2.404) 19.965 15.907 ( -7.159 0.391 1.721) 7.373 15.977 ( -15.576 -10.096 -1.759) 18.645 16.237 ( -6.069 5.738 -0.464) 8.365 19.736 ( -1.975 1.452 4.063) 4.746 19.898 ( -2.410 -5.124 3.933) 6.894 20.508 ( 10.765 -12.458 -0.207) 16.466 20.814 ( 25.147 15.759 -6.331) 30.345 23.158 ( 1.523 2.915 -0.429) 3.316 23.207 ( -2.865 1.720 0.973) 3.481 23.352 ( -1.894 0.873 -0.876) 2.262 23.515 ( -0.928 -0.841 -0.841) 1.509 23.645 ( -6.615 -8.669 1.922) 11.073 24.084 ( -12.206 -12.340 -6.402) 18.500 24.410 ( -1.341 -1.713 1.702) 2.762 24.470 ( -1.429 2.179 0.497) 2.653 24.688 ( -6.243 1.131 0.506) 6.364 24.901 ( -8.208 -4.091 -0.889) 9.214 25.189 ( 2.181 7.119 11.442) 13.651 26.088 ( 12.203 5.750 -6.603) 15.019 ======================= Grid point 101 (37/100) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -17.630 28.002 20.225) 38.781 1.769 ( -21.116 29.365 21.510) 42.082 2.729 ( -27.402 47.199 29.295) 61.942 3.911 ( 1.143 7.020 -24.481) 25.493 4.149 ( -7.258 5.035 -20.811) 22.608 4.368 ( 2.224 -1.580 -0.251) 2.740 4.508 ( -0.363 -2.878 -5.603) 6.309 5.012 ( 3.817 -7.277 3.133) 8.795 5.224 ( -1.265 -9.687 -2.293) 10.035 5.424 ( 5.172 0.034 -8.408) 9.872 5.434 ( 5.012 7.491 -0.998) 9.068 5.740 ( -8.490 1.170 0.780) 8.605 5.773 ( 1.837 -0.419 -0.928) 2.100 5.890 ( -2.948 -1.342 -6.072) 6.882 6.034 ( -9.241 1.165 -0.436) 9.325 6.111 ( -1.859 -3.852 -2.264) 4.839 6.435 ( 8.373 7.067 11.665) 16.004 6.611 ( -9.374 3.781 -6.831) 12.200 7.040 ( -12.957 -0.759 6.261) 14.410 7.375 ( 8.797 -7.756 -9.037) 14.806 7.411 ( 1.232 -6.874 -3.308) 7.727 7.689 ( -4.667 -0.839 -11.982) 12.886 8.128 ( 4.298 -8.042 3.289) 9.694 8.161 ( 13.972 -8.251 4.187) 16.758 8.438 ( -9.131 -6.533 -4.899) 12.250 8.625 ( 0.777 -0.943 3.311) 3.529 8.774 ( 11.535 -5.531 -4.545) 13.576 8.869 ( -5.989 -0.462 6.134) 8.586 9.012 ( -9.668 2.413 -0.704) 9.989 9.379 ( -0.261 5.572 6.692) 8.712 9.488 ( -2.401 -10.357 0.769) 10.659 9.629 ( -9.860 -0.438 -4.945) 11.039 9.800 ( -12.843 -4.063 5.392) 14.509 9.931 ( -11.275 -10.664 3.345) 15.876 10.108 ( 0.832 -0.499 1.132) 1.491 10.304 ( 5.464 -2.502 11.869) 13.304 10.456 ( -1.913 9.445 16.312) 18.946 10.830 ( -2.422 -7.304 10.890) 13.335 10.913 ( 1.784 7.616 0.102) 7.822 11.267 ( 6.097 -7.562 2.736) 10.092 11.506 ( 2.677 -0.997 -6.869) 7.439 11.613 ( -1.902 -2.983 -11.876) 12.392 11.696 ( 2.921 8.355 -1.717) 9.016 12.143 ( 10.850 10.146 -17.187) 22.717 12.374 ( -0.403 3.081 -13.142) 13.504 12.636 ( 10.925 -2.691 -6.978) 13.240 12.706 ( -0.281 5.809 -17.042) 18.007 13.088 ( 10.780 16.635 4.046) 20.231 13.351 ( 14.120 -1.953 5.446) 15.259 13.406 ( 11.711 7.771 1.555) 14.140 13.697 ( -2.487 1.434 9.282) 9.716 13.705 ( -0.398 -2.712 6.583) 7.131 13.908 ( 5.940 3.057 12.900) 14.527 14.208 ( 3.289 -1.787 -2.917) 4.745 14.500 ( 10.622 0.667 -1.956) 10.821 14.558 ( 6.861 0.825 -0.506) 6.929 14.877 ( 0.933 6.541 1.188) 6.713 15.002 ( -10.722 -5.646 -0.362) 12.123 15.167 ( -3.894 -3.873 4.093) 6.849 15.668 ( -28.160 -9.484 -9.502) 31.196 15.799 ( -4.575 1.680 6.064) 7.780 16.084 ( -5.061 3.375 0.462) 6.101 19.703 ( -0.616 0.715 4.018) 4.128 19.912 ( -0.794 -3.812 5.169) 6.471 20.824 ( 8.520 -13.516 0.640) 15.991 21.211 ( 35.865 16.529 -8.694) 40.436 23.103 ( -5.015 1.564 0.302) 5.262 23.160 ( 0.753 0.249 -0.257) 0.834 23.346 ( -0.229 -1.107 -0.790) 1.379 23.542 ( 3.502 0.620 -1.815) 3.993 23.590 ( -10.281 -6.459 -1.268) 12.208 23.883 ( -20.206 -13.077 -4.489) 24.483 24.375 ( -3.564 0.494 3.590) 5.083 24.457 ( 0.247 -1.907 0.372) 1.958 24.584 ( -3.877 -1.702 5.585) 7.009 24.820 ( -4.222 -2.429 -1.073) 4.988 25.156 ( 1.444 6.929 12.977) 14.781 26.227 ( 9.767 8.311 -11.002) 16.897 ======================= Grid point 102 (38/100) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -0.000 30.415 28.498) 41.680 1.205 ( -0.000 23.900 35.044) 42.418 1.935 ( -0.000 50.351 43.304) 66.411 3.842 ( -0.000 9.379 -28.312) 29.825 4.052 ( -0.000 0.193 -22.416) 22.416 4.422 ( 0.000 -2.361 -1.617) 2.861 4.533 ( 0.000 -2.488 -2.150) 3.288 5.095 ( 0.000 -4.507 6.384) 7.815 5.250 ( -0.000 7.310 -4.168) 8.415 5.416 ( 0.000 -5.948 -10.477) 12.048 5.523 ( 0.000 -0.895 -0.804) 1.203 5.624 ( -0.000 0.581 -3.950) 3.993 5.741 ( -0.000 0.002 2.823) 2.823 5.869 ( 0.000 -1.223 -1.457) 1.902 5.963 ( 0.000 -2.685 -12.456) 12.742 6.156 ( -0.000 3.019 -1.953) 3.596 6.431 ( -0.000 5.146 -7.802) 9.346 6.486 ( -0.000 6.230 7.823) 10.000 6.921 ( 0.000 -2.055 19.440) 19.548 7.514 ( 0.000 -8.974 -4.889) 10.219 7.567 ( 0.000 -8.670 1.733) 8.842 7.605 ( -0.000 1.640 -19.005) 19.076 8.279 ( 0.000 -4.533 -16.741) 17.343 8.408 ( 0.000 -14.711 1.706) 14.809 8.413 ( 0.000 -6.435 14.899) 16.230 8.616 ( 0.000 -4.542 -4.488) 6.385 8.748 ( -0.000 11.092 -12.651) 16.825 8.893 ( 0.000 -1.875 11.947) 12.093 9.071 ( 0.000 -0.006 0.598) 0.598 9.193 ( -0.000 9.881 7.663) 12.504 9.528 ( 0.000 -2.425 -2.889) 3.772 9.565 ( 0.000 -10.619 2.031) 10.812 9.661 ( -0.000 3.424 -0.943) 3.552 9.902 ( -0.000 5.069 3.067) 5.925 10.126 ( 0.000 -0.918 1.757) 1.983 10.328 ( -0.000 8.300 22.176) 23.678 10.375 ( 0.000 -1.531 12.028) 12.125 10.872 ( -0.000 5.269 6.241) 8.168 10.919 ( 0.000 -13.589 7.429) 15.487 11.376 ( -0.000 14.101 -3.257) 14.472 11.454 ( 0.000 -13.796 6.030) 15.056 11.692 ( -0.000 1.956 -5.690) 6.017 11.718 ( 0.000 -11.377 -10.814) 15.696 12.140 ( -0.000 12.612 -15.320) 19.843 12.342 ( 0.000 -0.280 -15.408) 15.410 12.649 ( -0.000 4.556 -16.269) 16.894 12.756 ( -0.000 2.618 -5.301) 5.912 13.036 ( -0.000 11.278 -2.876) 11.639 13.430 ( -0.000 1.312 -3.863) 4.080 13.622 ( 0.000 -0.530 8.287) 8.304 13.674 ( -0.000 1.740 5.334) 5.610 13.731 ( 0.000 -7.999 3.392) 8.688 14.120 ( 0.000 -3.480 16.844) 17.200 14.257 ( 0.000 -4.164 -0.378) 4.181 14.557 ( -0.000 0.765 -3.606) 3.686 14.693 ( 0.000 -1.100 -1.780) 2.092 14.803 ( 0.000 -2.109 -2.385) 3.184 14.837 ( -0.000 4.931 9.895) 11.055 15.197 ( -0.000 0.757 1.736) 1.894 15.228 ( -0.000 5.872 -9.536) 11.199 15.752 ( -0.000 0.142 6.248) 6.250 16.007 ( -0.000 2.050 1.276) 2.414 19.693 ( -0.000 0.340 3.559) 3.575 19.940 ( 0.000 -2.698 4.277) 5.057 21.036 ( 0.000 -11.080 1.758) 11.219 21.608 ( -0.000 9.599 -21.916) 23.926 23.032 ( 0.000 -0.684 1.088) 1.285 23.174 ( 0.000 -1.559 -1.033) 1.870 23.373 ( -0.000 1.402 1.566) 2.102 23.378 ( 0.000 -2.087 1.995) 2.887 23.583 ( -0.000 2.267 -1.568) 2.756 23.804 ( 0.000 -12.975 -1.644) 13.078 24.340 ( 0.000 -3.859 8.844) 9.649 24.471 ( 0.000 -0.600 -0.367) 0.703 24.600 ( 0.000 -7.873 7.042) 10.563 24.794 ( 0.000 -1.042 -0.584) 1.194 25.108 ( -0.000 4.409 15.074) 15.706 26.225 ( -0.000 15.185 -17.876) 23.454 ======================= Grid point 105 (39/100) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 34.516 0.000 6.222) 35.073 3.188 ( 37.633 0.000 -5.482) 38.030 3.907 ( -7.013 -0.000 3.837) 7.994 4.047 ( -6.469 -0.000 -6.001) 8.823 4.088 ( 8.557 0.000 -13.827) 16.260 4.297 ( -4.155 -0.000 -2.929) 5.083 4.586 ( 24.979 0.000 16.733) 30.066 4.681 ( -12.941 -0.000 4.438) 13.681 5.053 ( 0.462 0.000 -6.956) 6.971 5.222 ( -10.858 -0.000 -10.335) 14.990 5.498 ( 7.969 0.000 9.463) 12.371 5.562 ( -1.632 -0.000 -8.742) 8.893 5.644 ( -3.281 -0.000 9.265) 9.829 5.942 ( -2.009 -0.000 2.662) 3.335 6.215 ( -1.325 -0.000 1.493) 1.997 6.699 ( 12.158 0.000 -19.336) 22.840 6.854 ( -6.813 -0.000 -17.427) 18.711 6.988 ( -4.344 -0.000 -6.515) 7.830 7.281 ( -11.934 -0.000 1.785) 12.066 7.298 ( 5.339 0.000 -5.802) 7.885 7.481 ( 3.055 0.000 6.944) 7.586 7.511 ( -2.544 -0.000 4.271) 4.971 7.835 ( 7.059 0.000 -10.332) 12.513 8.137 ( -5.748 -0.000 6.118) 8.395 8.486 ( 0.986 0.000 11.188) 11.232 8.664 ( 2.588 0.000 14.935) 15.158 8.993 ( 2.644 0.000 16.772) 16.979 9.063 ( -5.530 -0.000 9.473) 10.968 9.144 ( -6.525 -0.000 1.446) 6.684 9.576 ( 5.722 0.000 -9.213) 10.845 9.780 ( -10.985 -0.000 6.190) 12.609 9.878 ( 6.441 0.000 -0.430) 6.455 10.066 ( -2.330 -0.000 -14.364) 14.552 10.174 ( -11.493 -0.000 -5.204) 12.616 10.549 ( 9.780 0.000 -2.284) 10.043 10.558 ( 5.584 0.000 -0.134) 5.585 10.755 ( 16.968 0.000 3.891) 17.409 11.014 ( -12.767 -0.000 -2.954) 13.104 11.075 ( 1.538 0.000 -2.629) 3.046 11.121 ( -3.302 -0.000 -1.488) 3.622 11.177 ( -7.283 -0.000 -2.744) 7.783 11.260 ( -3.476 -0.000 -1.309) 3.714 11.442 ( -5.976 -0.000 -2.132) 6.345 11.700 ( 2.869 0.000 15.412) 15.677 11.839 ( 21.740 0.000 -3.519) 22.023 12.101 ( 1.831 0.000 -4.329) 4.700 12.144 ( -7.395 -0.000 -2.823) 7.915 12.412 ( 5.916 0.000 -8.817) 10.617 12.990 ( 5.228 0.000 -1.258) 5.377 13.005 ( -0.634 -0.000 -0.637) 0.899 13.612 ( -8.767 -0.000 9.370) 12.831 13.788 ( 0.423 0.000 4.482) 4.502 14.093 ( -1.939 -0.000 3.363) 3.882 14.107 ( -4.797 -0.000 -5.346) 7.182 14.224 ( 8.081 0.000 -3.374) 8.757 14.505 ( -3.203 -0.000 4.626) 5.626 14.506 ( -3.206 -0.000 -6.372) 7.133 14.785 ( -4.902 -0.000 6.308) 7.989 15.787 ( -3.093 -0.000 2.710) 4.113 16.074 ( 8.810 0.000 4.732) 10.000 16.083 ( -4.585 -0.000 -2.020) 5.010 16.762 ( 0.141 0.000 -6.150) 6.152 19.788 ( -2.889 -0.000 0.201) 2.896 19.801 ( 3.888 0.000 0.035) 3.888 20.232 ( -12.874 -0.000 1.978) 13.025 20.309 ( 8.156 0.000 1.943) 8.384 23.030 ( 0.964 0.000 2.153) 2.359 23.274 ( -1.607 -0.000 3.421) 3.780 23.321 ( 3.455 0.000 -2.901) 4.511 23.638 ( 3.447 0.000 -0.013) 3.447 24.101 ( -0.631 -0.000 -1.035) 1.212 24.113 ( -9.757 -0.000 -5.087) 11.004 24.536 ( -1.749 -0.000 5.913) 6.167 24.646 ( -0.329 -0.000 -1.089) 1.137 24.729 ( -5.716 -0.000 2.274) 6.152 24.879 ( 6.944 0.000 3.883) 7.956 25.478 ( 14.723 0.000 -1.865) 14.841 25.617 ( -7.891 -0.000 -5.113) 9.403 ======================= Grid point 106 (40/100) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 26.626 -4.226 2.350) 27.061 3.637 ( -2.229 2.701 3.969) 5.293 3.790 ( -13.038 1.309 3.446) 13.549 3.970 ( 20.748 -1.672 -8.224) 22.381 4.249 ( 5.740 -4.924 -7.884) 10.925 4.350 ( -1.317 2.273 1.097) 2.847 4.402 ( -4.378 2.553 1.921) 5.420 4.819 ( 3.704 -7.043 -1.480) 8.094 4.987 ( -11.639 3.033 -16.313) 20.267 5.192 ( 5.687 -0.784 4.751) 7.452 5.463 ( -2.776 7.371 -0.232) 7.880 5.590 ( -1.608 -6.006 5.694) 8.431 5.694 ( 4.924 -1.739 2.444) 5.766 5.909 ( -0.322 0.092 3.127) 3.145 6.180 ( -0.461 5.066 -1.663) 5.352 6.650 ( -9.285 10.639 -7.579) 16.026 6.825 ( -9.007 -1.857 -13.118) 16.021 6.903 ( 6.218 -3.756 -10.386) 12.674 7.141 ( -5.083 -6.653 1.132) 8.449 7.342 ( -0.670 -0.947 -1.098) 1.598 7.457 ( -1.661 3.019 7.687) 8.424 7.561 ( -5.668 -6.316 3.953) 9.362 7.906 ( 4.534 6.233 -8.509) 11.481 8.081 ( 0.887 -2.191 -0.310) 2.384 8.453 ( -2.036 2.856 5.739) 6.726 8.620 ( -6.994 1.823 6.898) 9.991 8.884 ( -8.972 2.793 12.261) 15.447 9.068 ( 0.788 -9.390 12.091) 15.329 9.111 ( -2.688 -1.394 2.719) 4.069 9.473 ( -8.064 5.113 9.355) 13.368 9.644 ( -3.645 1.695 -1.735) 4.378 9.750 ( -20.518 -7.858 -5.021) 22.538 9.957 ( 1.654 -0.384 2.407) 2.945 10.178 ( -2.867 1.278 -8.552) 9.110 10.518 ( -9.437 -3.441 -4.364) 10.952 10.591 ( -5.506 3.661 -6.349) 9.167 10.782 ( -12.068 2.286 -1.564) 12.381 10.813 ( -5.238 -0.470 3.955) 6.580 11.071 ( 1.544 -0.015 -7.118) 7.284 11.184 ( 6.044 -0.884 4.695) 7.704 11.249 ( 15.544 5.523 -1.674) 16.580 11.389 ( 10.213 -1.520 -5.379) 11.643 11.484 ( 9.670 0.698 -5.183) 10.994 11.770 ( 9.935 8.430 7.336) 14.953 12.012 ( 3.067 -9.186 -7.670) 12.354 12.096 ( 0.205 -3.055 -1.339) 3.342 12.402 ( 19.014 -0.434 -1.751) 19.099 12.650 ( 21.479 3.083 0.190) 21.700 13.054 ( 4.433 -1.761 -2.838) 5.550 13.107 ( 4.472 -4.734 -3.088) 7.207 13.455 ( -6.308 0.457 10.403) 12.175 13.765 ( 0.150 5.642 5.672) 8.002 14.017 ( -4.342 0.750 -1.151) 4.554 14.032 ( -3.438 -2.023 1.012) 4.115 14.339 ( 3.748 9.930 -1.375) 10.703 14.439 ( 4.838 2.342 -1.478) 5.575 14.528 ( -2.300 -6.405 -1.854) 7.054 14.716 ( -1.822 -2.389 5.331) 6.119 15.713 ( -6.303 -2.172 2.003) 6.961 15.979 ( -8.633 -4.027 -2.104) 9.755 16.171 ( 2.579 1.543 5.227) 6.030 16.701 ( -3.842 4.395 -2.999) 6.563 19.758 ( -2.336 -3.388 0.785) 4.190 19.898 ( 4.819 -3.112 -1.145) 5.849 20.021 ( -8.892 1.636 3.799) 9.807 20.493 ( 13.176 2.711 -3.072) 13.798 23.067 ( 2.215 -1.201 2.190) 3.338 23.255 ( 0.926 1.856 2.490) 3.241 23.380 ( 1.219 -2.793 -2.803) 4.141 23.666 ( -0.742 1.776 -2.528) 3.177 23.901 ( -11.569 0.211 -0.220) 11.573 24.049 ( -4.593 0.102 -0.595) 4.633 24.474 ( -3.120 1.347 4.774) 5.860 24.601 ( -0.729 3.281 -0.145) 3.364 24.707 ( -2.851 -6.385 0.001) 6.993 24.991 ( 3.783 -0.599 0.008) 3.830 25.459 ( -8.107 1.141 0.790) 8.224 25.739 ( 14.286 1.428 -2.567) 14.585 ======================= Grid point 107 (41/100) ======================= q-point: (-0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( -17.108 16.569 6.837) 24.779 3.456 ( -16.331 11.211 10.694) 22.511 4.006 ( 10.395 -9.465 -1.383) 14.126 4.105 ( -7.889 -2.880 3.007) 8.921 4.254 ( 2.260 -7.402 -9.231) 12.046 4.443 ( 7.771 3.700 -11.009) 13.974 4.594 ( 7.905 -1.262 -1.280) 8.107 4.856 ( 6.330 -1.260 -15.539) 16.826 4.919 ( -2.088 -1.055 -3.808) 4.469 5.141 ( -7.212 4.790 5.768) 10.403 5.369 ( 0.887 1.460 4.698) 4.999 5.594 ( -2.394 -6.106 3.075) 7.243 5.810 ( 6.017 6.476 -4.251) 9.809 5.960 ( 5.588 -3.404 3.012) 7.203 6.063 ( -2.839 7.087 -3.347) 8.336 6.440 ( -4.985 4.420 6.827) 9.539 6.663 ( -10.906 -0.816 -10.728) 15.320 6.973 ( -12.113 -2.862 -7.213) 14.386 7.111 ( 2.207 -7.662 -0.764) 8.010 7.320 ( -1.402 4.983 -0.535) 5.204 7.352 ( -10.210 -3.654 -2.923) 11.231 7.432 ( -7.959 -3.646 12.079) 14.918 7.977 ( 6.437 2.909 -7.657) 10.418 8.127 ( 1.109 1.844 -5.594) 5.994 8.376 ( -2.465 0.677 0.023) 2.557 8.521 ( -0.029 -4.741 -1.084) 4.863 8.701 ( -6.168 3.062 18.049) 19.318 8.991 ( -7.773 2.496 -2.558) 8.555 9.240 ( 2.193 -9.036 4.963) 10.540 9.369 ( -2.651 -1.549 10.587) 11.023 9.459 ( -19.051 -5.814 -1.002) 19.943 9.544 ( -6.912 -3.136 4.050) 8.603 9.912 ( -6.863 -4.844 -1.236) 8.491 10.068 ( -6.621 -1.399 0.367) 6.777 10.345 ( -11.639 2.034 -5.121) 12.878 10.430 ( -7.957 -3.406 6.439) 10.788 10.508 ( -13.899 0.428 0.446) 13.913 10.846 ( 5.032 -3.124 1.375) 6.080 11.079 ( -2.547 -2.081 -9.708) 10.250 11.199 ( -1.048 6.216 15.319) 16.565 11.402 ( 7.583 7.724 -6.460) 12.605 11.511 ( 3.343 2.024 -11.368) 12.021 11.728 ( 18.666 3.551 -7.724) 20.511 11.959 ( 12.285 3.571 -7.591) 14.876 12.163 ( 6.320 -5.075 -9.761) 12.687 12.285 ( 17.266 1.900 8.887) 19.512 12.708 ( 16.816 5.021 0.647) 17.561 12.956 ( 7.718 0.979 -7.384) 10.726 13.162 ( 7.253 0.278 -2.284) 7.609 13.258 ( 10.188 -0.078 -3.223) 10.686 13.449 ( 4.862 -2.757 8.747) 10.380 13.724 ( 3.243 5.785 11.100) 12.930 13.933 ( -3.900 0.241 1.433) 4.161 14.023 ( -0.861 -3.787 2.079) 4.405 14.313 ( 6.581 9.399 -3.681) 12.050 14.464 ( -0.971 3.739 -3.515) 5.223 14.562 ( 3.536 -3.628 3.725) 6.289 14.811 ( 5.166 -6.227 2.201) 8.385 15.584 ( -10.053 -1.334 1.587) 10.264 15.856 ( -11.198 -8.572 -2.038) 14.248 16.141 ( -3.249 2.917 5.503) 7.025 16.549 ( -7.013 5.655 -1.314) 9.104 19.759 ( -2.147 -4.738 1.852) 5.522 19.872 ( -5.244 1.785 5.177) 7.582 20.048 ( 6.013 -6.827 -1.348) 9.197 20.739 ( 18.118 5.867 -7.096) 20.323 23.126 ( 2.355 -1.687 1.376) 3.207 23.271 ( 3.074 3.163 1.185) 4.567 23.418 ( -1.010 -4.595 -2.295) 5.234 23.545 ( -8.129 3.312 -4.466) 9.848 23.712 ( -8.851 0.900 3.858) 9.697 23.968 ( -6.551 -5.048 -1.228) 8.361 24.416 ( -2.592 -0.217 3.565) 4.413 24.563 ( -0.651 2.376 0.057) 2.464 24.715 ( -2.372 -4.536 -1.147) 5.245 24.985 ( -5.780 -0.485 -5.367) 7.903 25.337 ( -1.718 3.250 9.986) 10.641 25.972 ( 13.170 2.571 -3.618) 13.898 ======================= Grid point 108 (42/100) ======================= q-point: (-0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -17.710 24.218 10.580) 31.814 2.943 ( -20.146 22.285 14.288) 33.266 3.956 ( -6.650 -3.648 -1.476) 7.727 4.231 ( -1.965 -2.572 -7.468) 8.139 4.282 ( -6.973 -0.699 -9.400) 11.724 4.424 ( -0.974 0.001 -10.125) 10.172 4.552 ( -8.990 10.024 -3.170) 13.833 4.737 ( -5.260 2.872 4.453) 7.466 4.965 ( -0.779 -2.508 0.730) 2.726 5.184 ( 13.633 -0.644 -8.473) 16.065 5.529 ( 8.770 -8.030 -1.701) 12.012 5.678 ( 7.241 -2.653 1.363) 7.831 5.772 ( 4.982 15.222 0.638) 16.030 5.930 ( -4.287 1.521 0.036) 4.549 6.164 ( -2.108 -6.743 -0.117) 7.066 6.261 ( -12.037 2.085 4.517) 13.024 6.514 ( -0.367 -0.340 3.902) 3.934 6.739 ( -12.028 -4.626 -3.175) 13.272 7.097 ( -6.177 6.716 -9.384) 13.089 7.217 ( 1.460 -3.419 -0.839) 3.811 7.324 ( -8.878 -5.378 6.176) 12.078 7.454 ( 7.408 -9.730 -5.660) 13.476 7.926 ( -4.100 1.275 -8.693) 9.696 8.161 ( 1.358 8.552 3.502) 9.341 8.371 ( 0.536 -4.316 -1.404) 4.570 8.597 ( -3.210 -0.110 14.785) 15.130 8.700 ( 6.624 -0.353 -16.846) 18.105 8.806 ( -3.949 -2.319 2.883) 5.412 9.180 ( -15.806 -8.385 -0.768) 17.909 9.196 ( -11.726 -3.896 6.511) 13.967 9.386 ( -1.462 -4.680 11.791) 12.770 9.514 ( -6.382 -14.321 -2.227) 15.837 9.866 ( -12.441 -10.031 2.102) 16.119 10.001 ( -0.093 1.557 -3.037) 3.414 10.134 ( -4.082 1.010 -2.230) 4.760 10.205 ( -11.866 -0.801 9.442) 15.185 10.434 ( -3.515 -4.695 14.105) 15.275 10.966 ( 0.037 -1.884 2.648) 3.250 11.004 ( -0.702 2.219 2.270) 3.252 11.128 ( 0.089 2.629 8.910) 9.291 11.430 ( 5.046 7.948 -11.904) 15.177 11.549 ( 2.224 -0.040 -12.559) 12.755 11.955 ( 7.467 5.836 -8.728) 12.884 12.130 ( 12.692 3.265 -7.680) 15.190 12.320 ( 4.989 -3.235 -10.177) 11.787 12.556 ( 16.889 12.544 -2.956) 21.245 12.856 ( 3.203 5.291 -7.252) 9.531 13.000 ( 2.952 -3.114 3.061) 5.271 13.344 ( 12.076 -0.339 -3.729) 12.643 13.432 ( 14.163 13.442 -0.249) 19.528 13.589 ( 5.459 -1.509 6.339) 8.501 13.767 ( 3.162 2.922 12.891) 13.591 13.910 ( 2.817 -0.317 3.267) 4.326 14.075 ( 3.566 -2.063 2.152) 4.648 14.404 ( 7.659 6.666 -2.568) 10.473 14.424 ( 3.192 -0.642 -1.774) 3.708 14.713 ( 7.430 -4.953 1.689) 9.088 14.959 ( 4.502 -4.609 1.430) 6.600 15.357 ( -14.557 1.374 1.651) 14.715 15.733 ( -12.079 -9.046 -2.388) 15.278 16.007 ( -7.425 3.314 5.817) 9.997 16.348 ( -8.574 5.058 -0.436) 9.964 19.755 ( -2.174 -1.037 4.567) 5.164 19.802 ( -1.981 -2.479 5.049) 5.963 20.259 ( 6.791 -11.893 -1.075) 13.738 21.049 ( 23.382 8.246 -10.863) 27.069 23.175 ( 0.819 -1.039 0.593) 1.450 23.260 ( -2.352 3.395 -0.174) 4.133 23.381 ( -5.836 1.018 -3.779) 7.026 23.439 ( -1.799 -4.658 -2.342) 5.515 23.576 ( -3.296 0.521 4.221) 5.381 23.872 ( -12.324 -8.649 -2.426) 15.250 24.385 ( -1.154 -0.807 3.175) 3.473 24.524 ( -1.002 2.690 -0.088) 2.872 24.697 ( -3.392 -0.627 -1.962) 3.968 24.831 ( -9.557 -2.401 -1.609) 9.985 25.315 ( 2.574 5.269 12.214) 13.549 26.172 ( 11.413 2.978 -5.132) 12.863 ======================= Grid point 109 (43/100) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -12.315 30.585 15.010) 36.227 2.331 ( -17.735 27.972 18.756) 38.063 3.662 ( -12.951 40.145 10.866) 43.560 4.003 ( -1.405 2.390 -12.942) 13.236 4.211 ( -5.489 -0.597 -16.492) 17.392 4.329 ( -7.041 -1.126 -4.895) 8.649 4.454 ( 0.477 -2.018 -7.610) 7.887 4.811 ( 2.811 -14.106 -1.773) 14.492 4.989 ( -2.335 -7.302 7.469) 10.703 5.394 ( 8.533 -1.233 -9.168) 12.586 5.657 ( -2.742 5.008 -2.273) 6.145 5.751 ( -1.365 -4.454 2.523) 5.298 5.784 ( 6.103 7.566 -1.396) 9.821 5.833 ( -6.421 -2.198 -6.863) 9.652 6.036 ( -8.426 1.585 -3.883) 9.412 6.143 ( 7.104 4.121 10.118) 13.032 6.532 ( -1.044 -0.819 13.559) 13.623 6.676 ( 1.307 5.878 -2.439) 6.497 6.969 ( -7.142 -1.343 -11.979) 14.011 7.257 ( -3.430 -7.746 4.019) 9.377 7.308 ( 4.211 -3.929 -2.245) 6.182 7.645 ( 1.446 -3.966 -17.190) 17.701 7.975 ( 5.665 -8.473 -2.607) 10.520 8.055 ( 1.619 1.837 8.739) 9.075 8.367 ( -5.836 -1.337 -3.188) 6.783 8.488 ( -9.842 -8.061 4.374) 13.453 8.759 ( 4.852 0.067 0.876) 4.931 8.864 ( 0.739 0.092 0.058) 0.747 9.022 ( -7.024 -1.394 -2.057) 7.451 9.225 ( 3.750 -15.363 -3.090) 16.113 9.359 ( -7.569 -8.830 8.443) 14.371 9.512 ( -7.086 -10.804 -1.940) 13.066 9.717 ( -7.854 -3.575 5.228) 10.089 9.797 ( -14.408 0.523 -3.012) 14.729 10.122 ( 0.576 1.033 3.779) 3.960 10.257 ( 7.961 -2.117 14.249) 16.459 10.403 ( -5.121 -7.236 15.832) 18.145 10.869 ( -2.409 4.077 19.497) 20.064 11.055 ( 2.058 2.365 -7.746) 8.356 11.159 ( 2.955 -2.338 5.501) 6.668 11.455 ( 3.492 2.270 -16.204) 16.730 11.584 ( 0.565 -0.854 -12.350) 12.392 11.934 ( 1.420 11.392 -1.629) 11.596 12.280 ( 6.805 4.065 -12.770) 15.030 12.434 ( 3.203 -1.024 -9.898) 10.453 12.611 ( 2.287 4.875 -14.039) 15.036 12.815 ( -0.378 4.895 -18.769) 19.400 13.173 ( 9.662 -3.783 14.722) 18.011 13.511 ( 9.125 13.566 0.667) 16.363 13.569 ( 13.179 6.456 -1.740) 14.779 13.648 ( 0.532 -0.650 7.964) 8.008 13.760 ( 0.567 3.693 9.047) 9.789 13.983 ( 5.734 4.271 8.468) 11.082 14.188 ( 7.239 0.435 1.170) 7.345 14.458 ( 3.055 -3.925 0.900) 5.055 14.591 ( 11.024 1.511 -2.988) 11.521 14.846 ( -4.530 -5.872 -2.894) 7.961 15.042 ( -9.750 -1.145 3.859) 10.548 15.096 ( 4.192 2.764 0.753) 5.077 15.559 ( -13.538 -2.304 -3.341) 14.133 15.837 ( -7.046 1.927 6.512) 9.786 16.157 ( -6.624 3.729 0.239) 7.605 19.721 ( -0.951 0.952 5.761) 5.916 19.821 ( -0.711 -4.835 5.646) 7.467 20.517 ( 5.514 -16.366 -0.269) 17.272 21.438 ( 26.448 7.256 -16.433) 31.971 23.125 ( -7.401 0.210 0.109) 7.404 23.162 ( -3.603 -0.040 -0.674) 3.666 23.324 ( -0.436 -0.746 -2.728) 2.861 23.458 ( -1.712 -5.060 -1.178) 5.470 23.563 ( -1.795 -0.691 -0.887) 2.119 23.694 ( -10.973 -4.681 0.475) 11.939 24.384 ( -0.515 -0.952 1.767) 2.072 24.462 ( -2.704 2.912 1.593) 4.281 24.586 ( -5.280 0.904 2.775) 6.033 24.762 ( -2.478 -3.276 -0.796) 4.184 25.300 ( 1.924 6.811 12.559) 14.415 26.326 ( 7.894 2.723 -7.368) 11.137 ======================= Grid point 110 (44/100) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -0.000 31.530 22.386) 38.668 1.830 ( -0.000 32.322 21.912) 39.049 3.026 ( -0.000 55.423 20.886) 59.228 4.041 ( 0.000 -1.934 -16.068) 16.184 4.048 ( -0.000 9.725 -28.644) 30.250 4.339 ( 0.000 -6.499 0.560) 6.523 4.478 ( 0.000 -2.328 -6.388) 6.799 4.973 ( 0.000 -8.444 5.198) 9.916 5.069 ( 0.000 -15.939 -0.221) 15.940 5.522 ( -0.000 0.977 3.558) 3.690 5.539 ( -0.000 2.640 -10.777) 11.095 5.691 ( -0.000 11.423 -1.820) 11.567 5.720 ( 0.000 -1.901 1.552) 2.454 5.882 ( -0.000 4.398 -1.026) 4.516 5.892 ( 0.000 -4.690 -12.136) 13.011 6.237 ( -0.000 4.700 3.041) 5.598 6.518 ( -0.000 1.088 0.626) 1.255 6.624 ( -0.000 8.675 7.638) 11.558 6.853 ( 0.000 -2.811 -0.416) 2.841 7.331 ( 0.000 -9.699 2.704) 10.069 7.426 ( 0.000 -5.350 4.421) 6.940 7.627 ( -0.000 0.709 -24.316) 24.326 8.106 ( 0.000 -13.485 2.973) 13.809 8.219 ( 0.000 -2.440 -10.978) 11.246 8.332 ( 0.000 -1.334 8.361) 8.467 8.433 ( 0.000 -14.175 -1.372) 14.242 8.849 ( 0.000 -2.619 10.699) 11.015 8.875 ( 0.000 -0.969 4.727) 4.825 9.024 ( 0.000 -1.243 -16.398) 16.445 9.199 ( 0.000 -6.972 2.780) 7.506 9.500 ( 0.000 -0.729 0.647) 0.975 9.512 ( -0.000 4.056 0.366) 4.073 9.607 ( 0.000 -15.790 -2.800) 16.037 9.704 ( 0.000 -6.846 14.823) 16.328 10.122 ( -0.000 0.984 3.149) 3.299 10.352 ( 0.000 -0.717 14.529) 14.547 10.429 ( 0.000 -7.561 14.887) 16.697 10.814 ( -0.000 3.794 17.602) 18.007 11.019 ( -0.000 8.451 -5.500) 10.083 11.242 ( 0.000 -7.374 4.928) 8.869 11.516 ( 0.000 -6.799 -16.556) 17.897 11.571 ( -0.000 3.371 -12.378) 12.829 11.826 ( -0.000 12.247 1.716) 12.367 12.343 ( -0.000 0.380 -11.101) 11.108 12.369 ( -0.000 9.847 -18.596) 21.042 12.673 ( 0.000 -7.054 -11.021) 13.085 12.756 ( -0.000 5.858 -19.510) 20.371 13.302 ( -0.000 2.647 5.662) 6.250 13.471 ( -0.000 11.027 1.280) 11.101 13.613 ( 0.000 -0.262 9.104) 9.108 13.689 ( -0.000 5.135 2.873) 5.884 13.718 ( -0.000 2.632 4.414) 5.140 14.050 ( 0.000 -0.965 20.860) 20.882 14.295 ( -0.000 2.855 -2.172) 3.588 14.533 ( 0.000 -3.054 -0.030) 3.054 14.661 ( 0.000 -2.122 -1.350) 2.515 14.749 ( 0.000 -3.152 -2.941) 4.311 14.959 ( -0.000 5.823 -0.360) 5.835 15.180 ( 0.000 -2.622 1.815) 3.189 15.344 ( -0.000 7.141 -4.265) 8.317 15.756 ( -0.000 0.285 6.915) 6.921 16.059 ( -0.000 2.994 0.849) 3.112 19.704 ( -0.000 0.773 5.119) 5.177 19.862 ( 0.000 -4.756 6.460) 8.022 20.745 ( 0.000 -17.395 0.576) 17.405 21.724 ( -0.000 2.963 -25.135) 25.309 23.016 ( 0.000 -0.867 0.965) 1.297 23.138 ( 0.000 -1.872 -0.868) 2.063 23.340 ( 0.000 -1.636 -0.556) 1.728 23.408 ( -0.000 1.968 1.703) 2.603 23.567 ( 0.000 -9.620 0.630) 9.641 23.637 ( -0.000 2.963 -1.716) 3.424 24.352 ( -0.000 2.641 5.059) 5.707 24.438 ( 0.000 -2.225 1.873) 2.909 24.536 ( -0.000 0.131 4.040) 4.042 24.766 ( 0.000 -2.095 -1.413) 2.527 25.246 ( -0.000 7.749 13.325) 15.415 26.379 ( -0.000 3.383 -10.350) 10.888 ======================= Grid point 115 (45/100) ======================= q-point: (-0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.486 ( -16.290 -0.000 10.765) 19.526 3.572 ( -5.268 -0.000 5.587) 7.679 3.890 ( 10.785 0.000 -0.223) 10.788 4.067 ( -14.451 -0.000 7.291) 16.186 4.142 ( -1.888 -0.000 -10.809) 10.973 4.512 ( 16.445 0.000 -11.521) 20.080 4.586 ( 5.132 0.000 0.613) 5.169 4.823 ( -1.478 -0.000 -20.646) 20.698 4.876 ( 7.136 0.000 -4.673) 8.529 5.198 ( -3.914 -0.000 5.833) 7.024 5.430 ( -4.245 -0.000 9.132) 10.070 5.479 ( -0.851 -0.000 -0.846) 1.200 5.847 ( 9.437 0.000 -3.355) 10.015 5.932 ( 2.132 0.000 0.036) 2.133 6.198 ( -0.731 -0.000 0.514) 0.894 6.513 ( -10.571 -0.000 10.177) 14.673 6.680 ( -4.438 -0.000 -13.899) 14.590 6.927 ( -15.686 -0.000 -3.259) 16.021 6.966 ( -2.235 -0.000 -9.670) 9.925 7.316 ( 2.249 0.000 -7.921) 8.234 7.330 ( -11.411 -0.000 12.897) 17.220 7.463 ( -2.778 -0.000 9.379) 9.781 8.017 ( 3.296 0.000 -11.890) 12.338 8.140 ( 6.812 0.000 -3.691) 7.748 8.401 ( -11.185 -0.000 -1.215) 11.251 8.431 ( -0.849 -0.000 0.982) 1.299 8.794 ( -5.103 -0.000 18.455) 19.147 8.931 ( -5.157 -0.000 5.942) 7.868 9.193 ( 4.160 0.000 -1.621) 4.465 9.369 ( -17.190 -0.000 -0.830) 17.210 9.370 ( -5.632 -0.000 10.883) 12.254 9.511 ( -10.763 -0.000 4.173) 11.543 9.876 ( -10.094 -0.000 -0.161) 10.095 10.062 ( -5.879 -0.000 -4.474) 7.388 10.315 ( -9.938 -0.000 4.693) 10.990 10.430 ( -12.355 -0.000 -4.520) 13.156 10.513 ( -13.368 -0.000 1.136) 13.416 10.815 ( 4.414 0.000 1.924) 4.815 11.051 ( -1.328 -0.000 -13.070) 13.137 11.256 ( -2.769 -0.000 17.280) 17.501 11.484 ( 3.573 0.000 -9.809) 10.440 11.550 ( 10.214 0.000 -5.176) 11.450 11.772 ( 17.365 0.000 -7.182) 18.791 12.042 ( 10.696 0.000 -13.586) 17.291 12.050 ( 5.190 0.000 -6.411) 8.249 12.297 ( 25.427 0.000 14.489) 29.265 12.755 ( 17.634 0.000 -0.951) 17.659 12.990 ( 8.542 0.000 -10.121) 13.244 13.110 ( -1.244 -0.000 -7.551) 7.653 13.281 ( 22.311 0.000 3.400) 22.568 13.423 ( 4.126 0.000 9.016) 9.915 13.813 ( 1.326 0.000 3.993) 4.207 13.921 ( -4.270 -0.000 5.226) 6.749 13.983 ( -0.928 -0.000 5.056) 5.140 14.425 ( -0.569 -0.000 -6.850) 6.874 14.481 ( 2.180 0.000 -2.021) 2.973 14.606 ( 9.001 0.000 0.934) 9.049 14.669 ( 0.178 0.000 5.437) 5.440 15.587 ( -5.929 -0.000 1.380) 6.087 15.757 ( -12.768 -0.000 -1.801) 12.894 16.171 ( -3.409 -0.000 5.644) 6.593 16.607 ( -8.217 -0.000 -1.455) 8.345 19.708 ( -1.349 -0.000 1.707) 2.175 19.894 ( -5.705 -0.000 6.106) 8.356 19.974 ( 4.845 0.000 -2.105) 5.282 20.796 ( 18.060 0.000 -7.247) 19.459 23.107 ( 2.580 0.000 1.455) 2.962 23.310 ( 3.796 0.000 1.069) 3.943 23.366 ( -1.307 -0.000 -2.340) 2.680 23.578 ( -10.373 -0.000 -4.343) 11.245 23.730 ( -5.807 -0.000 2.678) 6.395 23.912 ( -9.779 -0.000 -0.853) 9.816 24.416 ( -3.095 -0.000 5.565) 6.368 24.603 ( -1.468 -0.000 -0.974) 1.762 24.647 ( -0.091 -0.000 -0.473) 0.481 24.982 ( -5.515 -0.000 -6.793) 8.750 25.370 ( -1.317 -0.000 10.411) 10.494 25.998 ( 12.940 0.000 -3.430) 13.387 ======================= Grid point 117 (46/100) ======================= q-point: (-0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( -13.170 13.145 13.856) 23.200 3.358 ( -11.429 19.437 8.610) 24.136 3.756 ( -12.163 -14.556 4.206) 19.430 4.112 ( -4.479 -8.826 -10.868) 14.699 4.150 ( 4.749 -3.329 -2.963) 6.512 4.470 ( -7.613 3.835 -9.990) 13.133 4.544 ( -10.005 -3.262 -5.169) 11.724 4.929 ( 2.525 3.742 -6.529) 7.937 4.977 ( -1.706 2.131 -5.618) 6.246 5.193 ( 8.728 1.064 -1.463) 8.913 5.435 ( 6.325 -1.069 4.801) 8.012 5.582 ( 7.845 -4.619 -2.811) 9.528 5.951 ( -0.568 0.900 -1.255) 1.645 6.043 ( 10.806 2.408 -2.853) 11.432 6.127 ( -3.552 8.397 5.972) 10.899 6.349 ( -11.215 6.884 8.409) 15.617 6.464 ( -5.301 -1.844 0.354) 5.624 6.635 ( -13.167 -7.853 -2.694) 15.566 7.050 ( 2.706 -7.915 -9.965) 13.010 7.174 ( -7.309 -1.916 10.576) 12.998 7.321 ( -1.703 4.634 -8.415) 9.757 7.411 ( 1.743 1.577 5.953) 6.400 7.997 ( -3.763 7.888 -10.036) 13.308 8.195 ( 2.042 -7.181 -9.946) 12.436 8.384 ( 3.127 4.967 1.575) 6.078 8.516 ( 6.032 -9.694 0.862) 11.450 8.666 ( -6.011 8.146 12.778) 16.302 8.842 ( -5.963 -2.776 0.442) 6.592 8.960 ( -22.601 -10.910 3.473) 25.336 9.198 ( -11.142 2.838 2.947) 11.870 9.299 ( -2.797 -0.812 -3.697) 4.706 9.365 ( -4.611 -3.145 6.056) 8.236 9.703 ( -9.415 -5.832 -1.347) 11.157 10.034 ( -0.617 2.042 -1.751) 2.760 10.101 ( -9.894 -3.489 -0.227) 10.493 10.201 ( -8.714 0.364 6.399) 10.817 10.391 ( -3.557 -0.535 11.493) 12.042 10.916 ( 4.042 -1.664 -0.435) 4.392 11.018 ( -2.269 -0.368 -9.578) 9.850 11.156 ( -5.153 0.804 23.167) 23.747 11.528 ( 2.181 0.557 -9.656) 9.914 11.634 ( 4.178 6.376 -8.227) 11.216 12.038 ( 9.338 2.167 -8.217) 12.626 12.141 ( 8.861 -0.381 -9.352) 12.889 12.267 ( 8.497 -2.040 -8.570) 12.239 12.760 ( 22.473 6.622 7.712) 24.665 12.918 ( 2.634 -1.932 -4.868) 5.862 12.990 ( -4.132 5.001 -14.605) 15.981 13.267 ( 14.739 -5.260 -5.825) 16.698 13.528 ( 8.209 -0.569 7.402) 11.069 13.698 ( 17.009 8.352 -0.137) 18.949 13.829 ( 3.324 0.895 9.025) 9.659 13.875 ( 0.655 -1.682 3.434) 3.879 14.042 ( 6.786 -1.361 11.332) 13.278 14.430 ( 1.229 1.263 -4.951) 5.256 14.534 ( 5.920 3.856 -3.925) 8.082 14.656 ( 4.972 1.843 2.901) 6.044 14.803 ( 1.804 -9.524 1.801) 9.859 15.444 ( -9.263 6.108 0.097) 11.096 15.578 ( -7.348 -7.021 -0.720) 10.188 16.053 ( -8.335 1.230 6.090) 10.395 16.420 ( -10.328 2.011 -0.469) 10.532 19.701 ( -0.732 -2.004 3.136) 3.793 19.810 ( -2.957 0.926 7.738) 8.336 20.080 ( 4.082 -5.234 -2.314) 7.029 21.151 ( 21.688 2.442 -11.569) 24.702 23.151 ( 1.141 -0.847 0.888) 1.675 23.298 ( -7.193 -0.098 -0.777) 7.235 23.372 ( 0.881 0.852 -3.403) 3.617 23.410 ( -4.547 -0.634 -3.712) 5.904 23.611 ( -5.215 2.426 2.486) 6.266 23.742 ( -10.044 -4.484 0.492) 11.011 24.376 ( -1.329 -0.207 4.412) 4.613 24.569 ( -0.980 1.685 -0.619) 2.045 24.664 ( 0.065 -1.891 -0.747) 2.034 24.812 ( -11.288 -0.055 -3.873) 11.934 25.386 ( 2.810 1.893 12.391) 12.846 26.210 ( 10.425 0.938 -4.504) 11.396 ======================= Grid point 118 (47/100) ======================= q-point: (-0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -7.991 24.861 14.436) 29.838 2.868 ( -13.632 26.596 13.648) 32.855 3.794 ( -1.622 -14.414 1.148) 14.551 4.112 ( -5.769 -5.941 -12.704) 15.165 4.181 ( -2.234 -0.815 -10.104) 10.380 4.310 ( -10.463 -4.117 -6.976) 13.232 4.440 ( -1.218 -0.440 -8.191) 8.293 4.737 ( -4.639 13.139 10.870) 17.672 4.954 ( -0.329 1.581 -1.450) 2.170 5.357 ( 6.763 -2.692 -11.741) 13.814 5.603 ( 2.554 -7.686 -0.789) 8.138 5.687 ( -1.345 0.639 -2.530) 2.936 5.817 ( -11.443 -0.014 -7.904) 13.907 5.939 ( -4.988 5.904 4.374) 8.881 6.143 ( 9.216 7.579 7.519) 14.104 6.226 ( 6.929 5.801 10.684) 13.993 6.472 ( -2.095 -2.129 11.545) 11.925 6.729 ( 10.774 -3.437 -9.214) 14.587 7.054 ( -4.311 1.304 -3.704) 5.831 7.119 ( -4.643 -6.150 3.041) 8.284 7.201 ( -3.746 -0.028 -5.229) 6.432 7.578 ( 11.878 -2.211 -6.207) 13.583 7.866 ( -1.818 1.583 -6.920) 7.328 8.209 ( -7.062 9.075 1.226) 11.564 8.335 ( -1.008 -1.634 -1.352) 2.348 8.392 ( -15.153 -1.531 -0.455) 15.237 8.645 ( -5.102 -9.237 15.127) 18.444 8.840 ( 3.886 -19.116 0.263) 19.509 8.953 ( -9.130 1.630 2.229) 9.539 8.983 ( 7.546 -0.954 -9.984) 12.552 9.204 ( -9.553 -4.305 1.587) 10.598 9.324 ( -5.024 -6.511 -5.465) 9.874 9.638 ( -3.209 -4.666 6.036) 8.276 9.848 ( -12.655 2.880 -7.712) 15.097 10.071 ( 1.752 -5.980 1.570) 6.426 10.250 ( 5.976 1.497 17.742) 18.781 10.317 ( -4.367 -1.918 12.682) 13.550 10.913 ( -3.164 1.238 9.767) 10.341 11.031 ( 1.560 -2.422 -4.628) 5.452 11.110 ( -0.760 -2.242 12.831) 13.048 11.563 ( 1.986 0.217 -10.067) 10.263 11.619 ( 2.568 8.752 -10.971) 14.268 12.097 ( 3.299 5.178 -4.713) 7.740 12.323 ( 6.401 -0.505 -9.487) 11.456 12.370 ( 2.640 -1.913 -6.226) 7.028 12.766 ( -6.673 6.873 -18.284) 20.641 12.891 ( 1.264 2.897 -19.061) 19.322 13.151 ( 13.155 2.374 13.729) 19.161 13.548 ( 8.869 -3.567 -0.207) 9.562 13.639 ( 2.945 -0.037 0.831) 3.060 13.762 ( 3.927 5.953 2.107) 7.436 13.854 ( 5.223 5.352 13.376) 15.324 14.026 ( 7.280 1.323 1.159) 7.490 14.250 ( 13.988 0.964 9.296) 16.823 14.415 ( 0.350 3.404 -1.248) 3.642 14.616 ( 5.208 1.682 -2.841) 6.167 14.746 ( -3.094 -3.994 -2.812) 5.782 14.905 ( 2.912 -8.950 3.644) 10.093 15.201 ( -9.017 3.751 -2.018) 9.972 15.553 ( -0.783 1.030 -0.425) 1.362 15.869 ( -9.128 1.207 6.898) 11.505 16.220 ( -8.043 2.381 0.070) 8.388 19.713 ( -0.486 -2.317 5.329) 5.831 19.767 ( -0.991 0.273 7.489) 7.559 20.230 ( 2.977 -11.621 -1.612) 12.104 21.528 ( 20.686 2.469 -16.847) 26.792 23.113 ( -7.674 -0.963 0.352) 7.742 23.156 ( -6.401 -0.570 -0.578) 6.452 23.325 ( -1.864 0.790 -5.114) 5.500 23.385 ( -0.646 -2.491 -2.281) 3.439 23.533 ( -6.158 -1.427 0.509) 6.342 23.669 ( 1.448 0.365 1.602) 2.191 24.366 ( -0.301 -0.611 3.059) 3.134 24.524 ( -2.651 2.723 0.143) 3.803 24.605 ( -6.473 0.855 1.844) 6.785 24.700 ( -0.908 -2.833 -0.134) 2.978 25.407 ( 2.077 3.823 12.060) 12.820 26.358 ( 6.371 0.852 -5.716) 8.602 ======================= Grid point 119 (48/100) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -0.000 32.130 14.475) 35.240 2.440 ( -0.000 28.733 18.367) 34.102 3.929 ( 0.000 -11.143 -4.435) 11.993 3.931 ( -0.000 28.522 0.034) 28.522 4.174 ( -0.000 3.030 -21.075) 21.292 4.199 ( 0.000 -5.652 -2.794) 6.305 4.448 ( 0.000 -1.053 -8.069) 8.138 4.689 ( 0.000 -9.983 4.826) 11.088 4.942 ( 0.000 -0.500 5.214) 5.238 5.491 ( 0.000 -4.411 -15.979) 16.577 5.546 ( -0.000 0.251 5.287) 5.293 5.682 ( 0.000 -1.832 -0.044) 1.833 5.780 ( 0.000 -5.595 -11.125) 12.453 5.841 ( -0.000 4.551 3.459) 5.717 6.119 ( -0.000 14.643 2.632) 14.878 6.314 ( -0.000 2.605 9.776) 10.117 6.462 ( 0.000 -3.231 14.763) 15.112 6.858 ( -0.000 13.828 2.236) 14.007 6.872 ( -0.000 2.883 -19.349) 19.562 7.148 ( 0.000 -8.158 5.929) 10.085 7.268 ( 0.000 -11.819 -2.357) 12.052 7.653 ( -0.000 3.458 -20.615) 20.903 7.966 ( 0.000 -3.573 3.657) 5.113 8.145 ( 0.000 -9.253 6.120) 11.094 8.157 ( 0.000 -3.290 -5.165) 6.124 8.341 ( -0.000 0.235 0.543) 0.591 8.738 ( 0.000 -9.855 15.570) 18.426 8.808 ( 0.000 -1.101 9.271) 9.336 9.041 ( 0.000 -0.888 -20.481) 20.500 9.108 ( 0.000 -2.439 1.899) 3.092 9.183 ( 0.000 -19.010 -7.317) 20.370 9.351 ( 0.000 -10.617 -1.010) 10.665 9.649 ( 0.000 -2.601 8.052) 8.462 9.655 ( -0.000 6.048 -2.531) 6.556 10.163 ( -0.000 2.628 5.757) 6.328 10.237 ( 0.000 -9.943 10.641) 14.563 10.349 ( -0.000 0.408 17.767) 17.772 10.867 ( -0.000 1.300 19.938) 19.980 11.068 ( 0.000 -1.889 -6.397) 6.670 11.145 ( 0.000 -4.595 6.064) 7.608 11.553 ( -0.000 9.055 -14.278) 16.907 11.586 ( 0.000 -0.322 -12.024) 12.028 12.058 ( -0.000 9.415 0.254) 9.418 12.358 ( -0.000 1.153 -7.615) 7.702 12.442 ( 0.000 -3.373 -9.877) 10.437 12.633 ( -0.000 4.422 -20.710) 21.177 12.864 ( -0.000 4.759 -22.027) 22.535 13.270 ( -0.000 0.074 14.972) 14.972 13.614 ( -0.000 0.392 9.981) 9.989 13.666 ( -0.000 2.537 -5.755) 6.290 13.769 ( -0.000 2.327 3.291) 4.030 13.864 ( -0.000 9.629 8.992) 13.174 14.067 ( -0.000 2.695 2.996) 4.029 14.381 ( -0.000 6.963 5.035) 8.593 14.459 ( 0.000 -3.509 5.078) 6.173 14.610 ( 0.000 -2.983 -0.425) 3.013 14.694 ( 0.000 -2.158 -3.740) 4.318 15.014 ( 0.000 -1.858 -1.084) 2.151 15.116 ( 0.000 -2.091 -3.196) 3.819 15.498 ( -0.000 7.522 -0.242) 7.526 15.762 ( -0.000 0.279 7.572) 7.577 16.116 ( -0.000 2.530 0.413) 2.564 19.718 ( -0.000 0.133 6.938) 6.939 19.774 ( 0.000 -3.254 6.111) 6.924 20.401 ( 0.000 -16.221 -0.692) 16.236 21.752 ( -0.000 0.388 -22.363) 22.366 23.000 ( 0.000 -0.641 0.856) 1.069 23.106 ( 0.000 -1.342 -0.722) 1.524 23.317 ( 0.000 -0.588 -2.960) 3.017 23.426 ( 0.000 -5.091 -0.989) 5.186 23.444 ( -0.000 1.610 1.828) 2.436 23.691 ( -0.000 2.307 -1.842) 2.952 24.371 ( 0.000 -0.704 2.203) 2.313 24.445 ( -0.000 2.583 4.653) 5.321 24.551 ( -0.000 0.926 2.149) 2.340 24.719 ( 0.000 -2.468 -0.596) 2.539 25.380 ( -0.000 5.557 12.293) 13.490 26.413 ( -0.000 0.724 -6.894) 6.932 ======================= Grid point 126 (49/100) ======================= q-point: (-0.56 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( -6.262 -0.000 18.364) 19.402 3.307 ( -14.609 -0.000 8.276) 16.790 3.471 ( -0.189 -0.000 5.116) 5.120 3.965 ( -4.441 -0.000 -14.234) 14.911 4.174 ( -0.511 -0.000 -7.369) 7.387 4.260 ( -12.422 -0.000 -4.448) 13.194 4.431 ( -1.026 -0.000 -7.868) 7.934 4.911 ( -4.717 -0.000 5.115) 6.958 4.981 ( 0.002 0.000 -7.452) 7.452 5.318 ( 5.386 0.000 -11.088) 12.327 5.517 ( 0.854 0.000 -2.121) 2.286 5.696 ( 3.431 0.000 -3.168) 4.670 5.818 ( -12.706 -0.000 -7.697) 14.855 6.007 ( -6.430 -0.000 10.835) 12.600 6.202 ( 8.556 0.000 18.834) 20.686 6.414 ( 1.005 0.000 3.953) 4.078 6.459 ( 1.523 0.000 8.491) 8.626 6.592 ( 19.579 0.000 -12.183) 23.060 7.014 ( -3.410 -0.000 -5.279) 6.284 7.037 ( -5.074 -0.000 7.674) 9.200 7.248 ( -9.526 -0.000 -8.373) 12.682 7.548 ( 12.958 0.000 4.067) 13.581 8.072 ( -1.062 -0.000 -10.841) 10.893 8.134 ( 3.288 0.000 -11.505) 11.966 8.399 ( -24.753 -0.000 -0.997) 24.773 8.404 ( -12.260 -0.000 -2.437) 12.500 8.545 ( 2.109 0.000 12.115) 12.297 8.553 ( -0.824 -0.000 9.466) 9.502 8.937 ( 11.802 0.000 1.541) 11.902 8.965 ( -11.857 -0.000 5.599) 13.113 9.200 ( -9.677 -0.000 3.103) 10.162 9.286 ( -2.608 -0.000 -18.592) 18.774 9.565 ( -1.809 -0.000 2.254) 2.890 9.884 ( -12.283 -0.000 -8.974) 15.212 9.989 ( 1.562 0.000 3.510) 3.841 10.273 ( 8.358 0.000 19.168) 20.911 10.299 ( -6.336 -0.000 10.118) 11.938 10.937 ( -1.170 -0.000 4.125) 4.288 10.988 ( -0.809 -0.000 -7.270) 7.314 11.093 ( -1.223 -0.000 22.158) 22.191 11.561 ( 1.521 0.000 -10.310) 10.422 11.724 ( 2.138 0.000 -5.596) 5.991 12.147 ( 3.581 0.000 -6.213) 7.171 12.295 ( 6.622 0.000 -10.900) 12.753 12.368 ( 2.778 0.000 -4.515) 5.301 12.828 ( -9.484 -0.000 -13.425) 16.437 12.925 ( 1.429 0.000 -21.443) 21.490 13.210 ( 15.838 0.000 9.570) 18.505 13.483 ( 9.335 0.000 -3.866) 10.104 13.635 ( 2.150 0.000 3.491) 4.100 13.813 ( -0.564 -0.000 2.147) 2.220 13.906 ( 5.774 0.000 12.197) 13.495 14.073 ( 10.920 0.000 0.935) 10.960 14.204 ( 10.300 0.000 12.214) 15.978 14.504 ( 4.310 0.000 -3.802) 5.747 14.695 ( 9.513 0.000 -6.007) 11.251 14.704 ( -3.228 -0.000 -2.438) 4.045 14.734 ( -0.160 -0.000 7.776) 7.777 15.235 ( -12.041 -0.000 -2.548) 12.308 15.569 ( 4.245 0.000 0.486) 4.272 15.881 ( -9.868 -0.000 7.103) 12.159 16.244 ( -8.615 -0.000 0.001) 8.615 19.685 ( -0.129 -0.000 4.495) 4.497 19.778 ( -1.173 -0.000 9.643) 9.714 20.106 ( 1.921 0.000 -2.960) 3.529 21.550 ( 18.857 0.000 -16.523) 25.071 23.101 ( -7.310 -0.000 0.427) 7.323 23.148 ( -6.578 -0.000 -0.518) 6.599 23.345 ( -3.216 -0.000 -7.098) 7.792 23.352 ( -1.353 -0.000 -2.245) 2.621 23.519 ( -4.895 -0.000 1.725) 5.190 23.675 ( 3.592 0.000 1.664) 3.959 24.361 ( -0.342 -0.000 3.492) 3.508 24.554 ( -2.240 -0.000 -0.602) 2.319 24.615 ( -8.026 -0.000 1.922) 8.253 24.666 ( 0.620 0.000 0.193) 0.650 25.445 ( 2.108 0.000 11.833) 12.019 26.365 ( 5.837 0.000 -5.271) 7.865 ======================= Grid point 128 (50/100) ======================= q-point: (-0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( -0.000 15.763 19.360) 24.966 2.995 ( -0.000 26.025 9.118) 27.576 3.606 ( 0.000 -19.309 3.638) 19.648 3.979 ( 0.000 -9.585 -14.441) 17.333 4.139 ( 0.000 -1.172 -4.769) 4.911 4.170 ( 0.000 -1.421 -11.068) 11.159 4.431 ( 0.000 -0.576 -7.549) 7.571 4.812 ( -0.000 9.986 10.224) 14.292 4.969 ( -0.000 1.698 -5.857) 6.098 5.410 ( 0.000 -2.895 -19.298) 19.514 5.492 ( 0.000 -3.694 1.143) 3.867 5.665 ( -0.000 0.116 0.960) 0.967 5.731 ( 0.000 -0.192 -6.123) 6.126 5.945 ( -0.000 4.665 11.666) 12.564 6.321 ( -0.000 2.179 13.015) 13.197 6.378 ( -0.000 7.295 4.178) 8.406 6.459 ( -0.000 1.888 11.917) 12.066 6.890 ( 0.000 -1.810 -15.367) 15.473 6.997 ( 0.000 -0.132 2.453) 2.457 7.035 ( 0.000 -4.037 3.973) 5.665 7.061 ( 0.000 -5.608 -8.613) 10.278 7.808 ( 0.000 -6.477 6.568) 9.225 7.871 ( -0.000 17.962 -13.688) 22.583 8.109 ( 0.000 -0.677 -3.212) 3.283 8.190 ( -0.000 5.443 1.739) 5.714 8.277 ( 0.000 -8.585 -7.900) 11.666 8.582 ( 0.000 -3.861 12.645) 13.222 8.697 ( 0.000 -17.426 5.001) 18.129 8.818 ( -0.000 1.925 6.978) 7.238 9.081 ( 0.000 -0.835 2.061) 2.224 9.136 ( 0.000 -8.626 2.847) 9.084 9.214 ( -0.000 6.942 -27.709) 28.565 9.579 ( 0.000 -3.949 2.672) 4.768 9.735 ( -0.000 2.072 -5.308) 5.698 10.070 ( 0.000 -5.498 7.920) 9.641 10.202 ( -0.000 1.043 5.774) 5.867 10.361 ( -0.000 0.536 20.480) 20.487 10.899 ( -0.000 2.252 9.908) 10.161 11.006 ( 0.000 -3.897 -5.159) 6.465 11.089 ( 0.000 -0.648 15.312) 15.325 11.579 ( 0.000 -0.277 -10.872) 10.876 11.717 ( -0.000 5.316 -6.186) 8.157 12.175 ( -0.000 2.665 -2.471) 3.635 12.369 ( 0.000 -2.508 -10.542) 10.836 12.383 ( -0.000 0.967 -4.792) 4.888 12.712 ( -0.000 2.249 -18.725) 18.859 12.932 ( -0.000 1.866 -22.982) 23.057 13.334 ( -0.000 4.799 11.932) 12.861 13.616 ( 0.000 -4.941 -9.055) 10.316 13.624 ( -0.000 0.424 10.238) 10.246 13.802 ( -0.000 0.878 2.474) 2.625 13.970 ( -0.000 2.032 13.146) 13.302 14.146 ( -0.000 3.987 0.318) 4.000 14.356 ( 0.000 -4.023 4.993) 6.412 14.560 ( 0.000 -1.550 0.166) 1.559 14.618 ( -0.000 12.605 7.425) 14.629 14.666 ( 0.000 -0.665 -4.005) 4.059 14.882 ( 0.000 -9.527 -2.474) 9.843 15.114 ( -0.000 0.450 -4.701) 4.723 15.607 ( -0.000 2.999 0.516) 3.043 15.766 ( -0.000 0.113 7.959) 7.959 16.152 ( -0.000 0.978 0.146) 0.989 19.691 ( 0.000 -1.436 5.404) 5.592 19.764 ( -0.000 0.711 9.402) 9.429 20.159 ( 0.000 -7.064 -2.516) 7.499 21.753 ( 0.000 -0.097 -20.300) 20.300 22.992 ( 0.000 -0.229 0.797) 0.830 23.087 ( 0.000 -0.475 -0.641) 0.798 23.318 ( -0.000 0.616 -4.282) 4.326 23.355 ( 0.000 -2.285 -2.155) 3.140 23.467 ( -0.000 0.613 1.898) 1.995 23.723 ( -0.000 0.858 -1.911) 2.094 24.359 ( 0.000 -0.293 2.905) 2.920 24.488 ( -0.000 1.301 4.386) 4.574 24.566 ( -0.000 0.536 1.080) 1.205 24.679 ( 0.000 -1.282 0.279) 1.312 25.456 ( -0.000 1.966 11.671) 11.836 26.420 ( -0.000 0.098 -5.729) 5.730 ======================= Grid point 170 (51/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.572 ( 0.000 0.000 38.298) 38.298 1.849 ( 0.000 0.000 43.596) 43.596 2.671 ( 0.000 0.000 58.282) 58.282 3.107 ( 0.000 0.000 -30.723) 30.723 3.448 ( 0.000 0.000 -33.931) 33.931 4.395 ( 0.000 0.000 -1.643) 1.643 4.490 ( 0.000 0.000 -4.879) 4.879 4.691 ( 0.000 0.000 -29.402) 29.402 5.256 ( 0.000 0.000 -7.753) 7.753 5.348 ( 0.000 0.000 -3.040) 3.040 5.479 ( 0.000 0.000 -1.911) 1.911 5.599 ( 0.000 0.000 -9.026) 9.026 5.630 ( 0.000 0.000 8.033) 8.033 5.949 ( 0.000 0.000 6.868) 6.868 6.006 ( 0.000 0.000 7.058) 7.058 6.018 ( 0.000 0.000 -6.977) 6.977 6.265 ( 0.000 0.000 -5.627) 5.627 6.447 ( 0.000 0.000 -7.444) 7.444 7.204 ( 0.000 0.000 -15.376) 15.376 7.321 ( 0.000 0.000 -12.532) 12.532 7.340 ( 0.000 0.000 16.335) 16.335 7.655 ( 0.000 0.000 -1.479) 1.479 8.130 ( 0.000 0.000 1.842) 1.842 8.399 ( 0.000 0.000 -8.293) 8.293 8.559 ( 0.000 0.000 -3.368) 3.368 8.563 ( 0.000 0.000 -2.512) 2.512 8.944 ( 0.000 0.000 13.099) 13.099 9.120 ( 0.000 0.000 6.067) 6.067 9.123 ( 0.000 0.000 6.110) 6.110 9.383 ( 0.000 0.000 4.762) 4.762 9.460 ( 0.000 0.000 10.798) 10.798 9.668 ( 0.000 0.000 16.145) 16.145 9.737 ( 0.000 0.000 0.128) 0.128 9.981 ( 0.000 0.000 7.927) 7.927 10.257 ( 0.000 0.000 12.166) 12.166 10.682 ( 0.000 0.000 15.270) 15.270 10.962 ( 0.000 0.000 18.183) 18.183 10.972 ( 0.000 0.000 11.556) 11.556 11.144 ( 0.000 0.000 -0.615) 0.615 11.171 ( 0.000 0.000 -3.587) 3.587 11.351 ( 0.000 0.000 -25.320) 25.320 11.612 ( 0.000 0.000 -15.033) 15.033 11.643 ( 0.000 0.000 1.472) 1.472 11.838 ( 0.000 0.000 -2.985) 2.985 12.055 ( 0.000 0.000 -7.365) 7.365 12.276 ( 0.000 0.000 -15.558) 15.558 12.659 ( 0.000 0.000 2.954) 2.954 12.890 ( 0.000 0.000 -4.908) 4.908 13.328 ( 0.000 0.000 -2.661) 2.661 13.660 ( 0.000 0.000 -19.408) 19.408 13.759 ( 0.000 0.000 4.174) 4.174 13.768 ( 0.000 0.000 4.647) 4.647 13.997 ( 0.000 0.000 7.364) 7.364 14.332 ( 0.000 0.000 -8.821) 8.821 14.643 ( 0.000 0.000 4.331) 4.331 14.679 ( 0.000 0.000 -0.115) 0.115 14.767 ( 0.000 0.000 -3.271) 3.271 14.827 ( 0.000 0.000 -1.767) 1.767 15.152 ( 0.000 0.000 3.832) 3.832 15.214 ( 0.000 0.000 1.056) 1.056 15.884 ( 0.000 0.000 6.347) 6.347 16.009 ( 0.000 0.000 0.318) 0.318 19.767 ( 0.000 0.000 4.301) 4.301 19.920 ( 0.000 0.000 -2.725) 2.725 21.217 ( 0.000 0.000 3.861) 3.861 21.380 ( 0.000 0.000 -3.496) 3.496 23.071 ( 0.000 0.000 1.974) 1.974 23.159 ( 0.000 0.000 -1.942) 1.942 23.401 ( 0.000 0.000 2.594) 2.594 23.487 ( 0.000 0.000 5.419) 5.419 23.517 ( 0.000 0.000 -2.585) 2.585 23.788 ( 0.000 0.000 -8.392) 8.392 24.431 ( 0.000 0.000 0.393) 0.393 24.473 ( 0.000 0.000 -1.692) 1.692 24.770 ( 0.000 0.000 3.882) 3.882 24.883 ( 0.000 0.000 -0.722) 0.722 25.364 ( 0.000 0.000 7.778) 7.778 25.685 ( 0.000 0.000 -6.643) 6.643 ======================= Grid point 171 (52/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 13.566 -12.699 32.615) 37.537 1.941 ( 7.921 -9.765 40.622) 42.524 3.048 ( 25.927 -10.644 30.626) 41.515 3.191 ( 9.437 -5.866 -11.158) 15.747 3.508 ( 4.814 -3.544 -33.023) 33.559 4.359 ( -3.424 0.240 -0.887) 3.545 4.447 ( -3.481 0.776 -5.097) 6.221 4.783 ( 5.820 -4.325 -22.318) 23.466 5.238 ( -0.147 3.062 -8.495) 9.031 5.287 ( -5.631 0.955 -5.280) 7.778 5.488 ( 0.368 1.671 4.348) 4.672 5.607 ( 0.040 -2.631 -9.081) 9.455 5.698 ( 7.104 1.576 0.648) 7.305 5.911 ( 0.220 4.556 3.652) 5.843 6.057 ( 1.224 -5.540 -0.575) 5.703 6.158 ( 15.423 2.886 3.482) 16.073 6.365 ( 7.403 0.391 -5.476) 9.217 6.459 ( 1.036 -6.622 -2.407) 7.122 7.061 ( -10.656 -0.545 -11.156) 15.437 7.208 ( -9.112 1.074 -11.131) 14.425 7.386 ( 3.274 1.953 6.073) 7.171 7.635 ( -1.168 3.696 -3.986) 5.560 8.232 ( 6.661 -1.913 3.592) 7.805 8.389 ( 1.650 3.083 -2.660) 4.393 8.538 ( 1.041 8.268 -1.954) 8.559 8.604 ( -0.273 3.284 -0.440) 3.325 8.897 ( -8.967 1.139 6.195) 10.958 8.952 ( 6.947 -0.177 2.378) 7.345 9.279 ( 6.398 5.382 8.256) 11.750 9.427 ( 1.742 -5.036 11.972) 13.104 9.505 ( 3.427 4.568 3.237) 6.565 9.721 ( 3.816 -6.872 12.048) 14.386 9.813 ( 10.334 3.089 -2.702) 11.119 10.010 ( 0.132 -6.502 8.832) 10.968 10.238 ( -1.479 0.139 10.334) 10.440 10.629 ( -5.093 2.360 15.535) 16.518 10.845 ( -0.955 5.948 11.646) 13.112 10.981 ( -2.383 1.390 10.161) 10.529 11.141 ( 3.544 7.710 -0.742) 8.518 11.250 ( 2.487 -1.314 -6.342) 6.938 11.346 ( -2.634 -7.108 -17.623) 19.184 11.545 ( -3.308 6.991 -15.231) 17.082 11.632 ( -2.026 0.090 6.238) 6.559 11.705 ( -11.522 -0.223 -4.546) 12.389 12.053 ( -1.162 -2.724 -7.886) 8.424 12.279 ( -1.313 -2.595 -14.826) 15.109 12.580 ( -10.910 -2.957 1.510) 11.404 12.818 ( -9.088 -5.326 -3.813) 11.202 13.300 ( -4.054 -1.227 -2.539) 4.938 13.359 ( -18.724 -2.823 -3.139) 19.194 13.807 ( 3.020 -0.187 5.001) 5.845 13.839 ( 2.561 1.433 1.532) 3.310 14.025 ( -1.198 -4.759 7.772) 9.192 14.263 ( -9.849 3.887 -1.406) 10.682 14.373 ( -12.406 -4.607 -5.452) 14.313 14.423 ( -5.370 -0.951 -5.278) 7.589 14.935 ( 4.991 -1.171 9.133) 10.474 15.162 ( -0.684 3.602 1.715) 4.048 15.258 ( 12.845 0.767 1.749) 12.986 15.496 ( 35.766 1.949 -14.934) 38.807 15.902 ( 1.548 -1.013 6.244) 6.513 16.041 ( 2.688 -1.203 -0.522) 2.991 19.771 ( -0.090 -1.069 4.315) 4.447 19.923 ( -1.098 -2.702 -2.472) 3.824 21.052 ( -18.477 4.791 4.229) 19.550 21.076 ( -19.163 2.261 3.104) 19.544 23.103 ( 2.885 -0.362 1.537) 3.289 23.153 ( -1.971 -0.020 -0.405) 2.013 23.373 ( 1.348 0.514 1.358) 1.982 23.477 ( -1.914 -0.592 -2.744) 3.398 23.691 ( 14.797 3.063 1.617) 15.197 23.900 ( 10.929 3.363 -7.483) 13.666 24.457 ( 3.320 1.224 0.388) 3.560 24.482 ( 1.782 1.833 -0.617) 2.630 24.764 ( 0.748 2.703 4.002) 4.887 24.877 ( 2.868 3.959 -0.802) 4.954 25.322 ( -4.365 -2.116 10.012) 11.125 25.727 ( -3.806 -11.780 -10.166) 16.019 ======================= Grid point 172 (53/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 23.430 -15.310 23.435) 36.505 2.341 ( 18.046 -21.102 27.500) 39.079 3.354 ( 9.600 -9.293 -27.650) 30.709 3.684 ( 7.537 -9.539 -29.027) 31.470 3.872 ( 36.761 -13.195 37.612) 54.223 4.282 ( -4.860 -0.809 0.541) 4.956 4.363 ( -4.292 0.936 -5.247) 6.843 4.911 ( 3.313 -1.046 -3.757) 5.117 5.126 ( -9.171 3.369 -6.030) 11.481 5.202 ( -0.615 4.028 -11.376) 12.084 5.448 ( -0.907 3.356 1.960) 3.992 5.647 ( 1.117 -2.055 -6.158) 6.587 5.743 ( 0.522 9.715 -5.786) 11.319 5.928 ( 4.628 -1.096 3.734) 6.046 6.136 ( 0.981 -4.747 -2.078) 5.274 6.354 ( -4.584 -7.134 1.474) 8.607 6.517 ( 19.781 5.136 4.397) 20.905 6.669 ( 13.160 0.067 -2.030) 13.315 6.959 ( -3.990 -5.331 -11.010) 12.867 7.048 ( -5.336 -5.961 -16.234) 18.099 7.405 ( 3.980 6.619 3.195) 8.359 7.578 ( -0.834 2.190 -6.129) 6.561 8.230 ( -8.237 4.293 7.708) 12.070 8.334 ( 0.066 16.401 9.041) 18.728 8.429 ( -1.334 3.866 -3.854) 5.619 8.584 ( 8.164 7.540 -6.320) 12.785 8.855 ( 2.523 -5.474 10.822) 12.387 9.211 ( 8.409 5.254 1.093) 9.975 9.241 ( 4.422 -0.288 4.401) 6.245 9.486 ( 2.104 -0.049 9.124) 9.363 9.560 ( 2.766 -1.966 -5.499) 6.462 9.790 ( 6.043 5.793 9.185) 12.428 10.069 ( 6.956 -4.224 5.382) 9.757 10.127 ( 7.259 -3.841 4.879) 9.553 10.238 ( 1.153 -5.637 2.401) 6.234 10.479 ( -3.767 6.201 14.527) 16.238 10.835 ( -0.660 -3.777 2.119) 4.381 10.887 ( 1.485 14.024 7.616) 16.028 11.094 ( -1.066 6.295 -2.695) 6.930 11.215 ( -3.702 3.244 -10.280) 11.398 11.390 ( -13.924 2.145 -2.248) 14.267 11.406 ( -0.768 -5.693 -9.720) 11.290 11.429 ( -2.436 5.213 -6.193) 8.454 11.655 ( -3.529 -6.453 0.632) 7.382 12.066 ( -1.356 -4.029 -6.800) 8.020 12.244 ( -8.443 -5.484 -6.937) 12.226 12.386 ( -11.097 -6.437 -1.157) 12.881 12.690 ( -14.524 -13.956 -4.482) 20.635 13.105 ( -10.616 -4.959 5.382) 12.895 13.265 ( -4.507 -2.730 -2.445) 5.809 13.836 ( -0.070 2.624 4.386) 5.111 13.880 ( 4.915 -0.212 2.826) 5.673 13.999 ( -4.494 0.098 7.965) 9.146 14.095 ( -4.830 2.254 -3.889) 6.598 14.181 ( -9.070 -0.621 -5.245) 10.496 14.421 ( -1.399 -1.567 -7.829) 8.106 14.911 ( -4.816 -0.384 8.746) 9.991 15.060 ( -5.602 3.569 2.605) 7.135 15.584 ( 20.170 3.504 5.165) 21.114 15.932 ( 7.984 1.338 -1.037) 8.162 16.011 ( 15.856 2.026 -7.024) 17.460 16.125 ( 4.256 -2.674 -2.312) 5.533 19.788 ( 0.249 -2.249 4.271) 4.833 19.938 ( -0.966 -4.394 -2.197) 5.006 20.627 ( -19.274 0.434 6.378) 20.307 20.726 ( -15.571 8.039 0.114) 17.524 23.119 ( -1.886 -1.763 1.266) 2.876 23.167 ( 2.634 -1.772 -0.619) 3.234 23.393 ( 1.137 1.488 2.477) 3.105 23.492 ( 2.627 -0.056 -1.685) 3.121 23.852 ( 8.633 7.406 1.599) 11.486 24.058 ( 8.173 2.913 -8.388) 12.069 24.490 ( 1.595 3.360 0.958) 3.841 24.506 ( 3.774 4.036 0.123) 5.527 24.773 ( 4.191 2.194 5.055) 6.923 24.939 ( 6.947 2.798 -2.486) 7.891 25.275 ( -5.531 -7.423 10.966) 14.351 25.732 ( -7.336 -9.872 -11.207) 16.640 ======================= Grid point 173 (54/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 22.060 -14.003 18.319) 31.911 2.998 ( 26.739 -23.249 13.067) 37.766 3.661 ( 11.946 -9.230 -18.589) 23.947 3.929 ( 6.936 -13.060 -24.654) 28.749 4.141 ( -8.824 -1.575 1.690) 9.122 4.281 ( -3.665 -0.923 -3.652) 5.256 4.638 ( 24.696 -4.644 20.568) 32.473 4.828 ( -13.485 5.261 -1.408) 14.543 4.958 ( 2.601 4.486 0.921) 5.267 5.137 ( -0.405 3.121 -2.651) 4.115 5.418 ( -2.429 -2.481 3.431) 4.881 5.556 ( -5.193 13.746 -10.103) 17.832 5.693 ( 2.290 0.763 -0.274) 2.429 6.011 ( 2.900 2.241 -5.781) 6.845 6.158 ( -1.632 -4.343 -6.736) 8.179 6.284 ( -8.973 -2.490 4.090) 10.170 6.742 ( 10.601 0.244 0.252) 10.606 6.893 ( -1.125 -7.720 -7.131) 10.570 7.003 ( 14.247 -1.520 -0.141) 14.328 7.183 ( 6.183 -0.532 -7.835) 9.995 7.449 ( 5.756 4.030 -1.221) 7.132 7.581 ( 2.871 -2.667 -9.640) 10.406 7.979 ( -11.972 2.317 7.861) 14.508 8.153 ( -2.258 11.788 6.651) 13.722 8.451 ( 8.679 7.394 2.175) 11.607 8.680 ( 8.536 9.511 -6.891) 14.519 8.999 ( 7.415 -3.667 12.265) 14.794 9.089 ( -0.891 7.584 13.474) 15.488 9.469 ( 2.827 -5.564 -8.098) 10.224 9.564 ( 4.976 -0.475 -0.625) 5.038 9.622 ( 4.440 -2.361 1.870) 5.366 9.838 ( 3.497 3.232 5.950) 7.621 10.003 ( -10.777 8.028 9.398) 16.399 10.231 ( 7.949 0.677 7.875) 11.209 10.333 ( -2.911 -2.968 -4.999) 6.502 10.566 ( 13.999 1.463 1.741) 14.182 10.738 ( -2.492 8.176 -4.182) 9.515 10.908 ( 3.831 2.582 3.531) 5.814 11.011 ( -3.531 -1.982 1.919) 4.481 11.100 ( -5.367 3.249 -2.601) 6.792 11.123 ( -11.021 -3.069 -11.906) 16.511 11.354 ( -5.490 0.237 -4.413) 7.048 11.433 ( 2.742 3.235 -2.682) 5.017 11.627 ( -7.041 -6.003 -4.829) 10.437 12.056 ( -3.442 -5.475 1.225) 6.582 12.181 ( -1.984 -5.892 1.576) 6.414 12.315 ( -6.233 -8.366 -3.723) 11.077 12.567 ( -14.327 -13.956 -4.470) 20.494 13.041 ( -1.931 -4.884 4.686) 7.038 13.207 ( -4.897 -4.077 -1.838) 6.632 13.789 ( -1.104 4.640 6.591) 8.136 13.888 ( -5.527 2.601 5.707) 8.359 13.987 ( -1.338 3.111 -3.313) 4.738 13.997 ( 4.452 -0.356 -4.540) 6.368 14.058 ( -4.897 0.278 -0.040) 4.905 14.366 ( -4.376 1.709 -6.256) 7.824 14.827 ( -4.386 -1.028 6.304) 7.748 14.914 ( -5.542 3.663 3.208) 7.376 15.863 ( 14.398 5.354 5.702) 16.385 16.011 ( 1.136 -3.837 3.658) 5.421 16.202 ( 3.368 -5.412 -3.252) 7.156 16.255 ( 10.655 7.357 -6.442) 14.462 19.831 ( 1.462 -3.707 3.938) 5.603 19.979 ( 0.760 -4.463 -2.292) 5.074 20.336 ( -12.662 1.361 2.046) 12.898 20.388 ( -11.523 7.522 -0.216) 13.763 23.126 ( 0.092 -3.014 2.371) 3.837 23.235 ( 2.237 -1.965 -1.674) 3.416 23.382 ( -0.491 0.851 2.898) 3.060 23.536 ( 2.048 2.170 -2.818) 4.104 23.914 ( 6.462 5.784 3.386) 9.310 24.121 ( 1.884 2.645 -5.984) 6.809 24.476 ( 0.439 2.590 0.857) 2.763 24.507 ( 1.183 3.815 -0.238) 4.001 24.873 ( 7.465 1.593 4.520) 8.871 25.033 ( 4.410 1.853 -1.590) 5.041 25.285 ( -0.388 -7.073 7.637) 10.416 25.660 ( -8.924 -6.383 -9.076) 14.239 ======================= Grid point 174 (55/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( 19.455 -11.306 10.021) 24.632 3.647 ( 10.320 -5.313 2.761) 11.931 3.820 ( 6.805 -8.952 2.721) 11.570 4.072 ( 0.593 -6.006 -3.030) 6.753 4.184 ( 2.241 -1.861 -8.300) 8.796 4.260 ( 3.962 -12.566 -13.275) 18.703 4.408 ( -19.434 14.905 2.642) 24.634 4.584 ( -10.007 12.147 -8.432) 17.855 5.141 ( 5.377 1.365 -1.239) 5.685 5.220 ( 0.443 -2.238 8.014) 8.333 5.401 ( 3.479 1.006 3.998) 5.395 5.423 ( 0.715 1.280 -0.418) 1.525 5.741 ( 5.306 -2.567 -3.017) 6.621 5.950 ( -6.620 6.825 -7.696) 12.233 6.154 ( -1.234 0.338 1.236) 1.779 6.174 ( -1.881 -2.531 -5.173) 6.058 6.936 ( 6.748 -7.490 0.994) 10.130 7.023 ( 4.774 -6.805 -1.275) 8.410 7.104 ( -2.426 0.986 -1.606) 3.072 7.208 ( 0.336 11.201 -4.026) 11.907 7.514 ( 6.809 0.127 -1.105) 6.900 7.643 ( -6.676 -4.377 -5.945) 9.954 7.886 ( 4.285 -2.650 2.106) 5.461 8.020 ( -3.373 6.409 1.604) 7.418 8.575 ( 9.588 5.032 6.405) 12.580 8.670 ( -1.323 4.072 3.481) 5.518 9.101 ( 8.297 -0.149 13.009) 15.430 9.199 ( 8.523 3.856 7.064) 11.722 9.472 ( -6.306 -7.472 3.054) 10.243 9.585 ( -11.721 1.299 1.673) 11.911 9.685 ( 7.912 4.158 -5.281) 10.381 9.771 ( 2.430 2.952 0.727) 3.892 9.922 ( 1.793 -4.619 3.871) 6.288 10.124 ( -13.928 4.403 -7.676) 16.501 10.434 ( 11.749 -0.809 -0.356) 11.782 10.623 ( -5.117 4.219 -4.708) 8.134 10.766 ( 11.140 7.383 2.300) 13.561 10.884 ( -9.035 -5.734 -1.084) 10.756 10.951 ( 1.615 1.658 -2.152) 3.160 11.021 ( -4.244 -4.054 -0.341) 5.879 11.138 ( 4.350 -2.206 -8.303) 9.630 11.235 ( -5.659 0.130 -5.946) 8.210 11.455 ( 5.539 6.709 1.806) 8.886 11.528 ( -9.251 -6.655 0.226) 11.398 12.112 ( 4.446 -1.865 0.933) 4.911 12.192 ( -4.018 -3.868 -1.069) 5.679 12.329 ( 3.381 -0.448 0.905) 3.529 12.432 ( -11.409 -7.897 -1.542) 13.961 13.103 ( 2.533 -4.212 0.375) 4.930 13.169 ( -2.818 -1.419 -1.887) 3.677 13.723 ( 0.061 4.138 7.837) 8.862 13.759 ( -5.487 0.771 7.526) 9.346 13.938 ( 0.448 0.699 -2.830) 2.949 13.977 ( -3.118 0.864 -0.564) 3.284 14.125 ( 7.005 0.310 -5.230) 8.748 14.249 ( -5.972 1.514 -5.819) 8.474 14.783 ( -1.163 -0.925 4.668) 4.898 14.809 ( -2.702 1.680 3.590) 4.797 16.008 ( 7.604 5.712 4.436) 10.494 16.045 ( -2.479 -5.019 3.646) 6.681 16.294 ( -1.065 -8.704 -2.375) 9.085 16.323 ( 5.774 9.307 -3.775) 11.585 19.924 ( 3.916 -5.459 3.164) 7.426 20.048 ( 2.520 0.537 -0.463) 2.617 20.106 ( -7.936 0.939 -0.416) 8.003 20.183 ( -5.806 4.174 -1.761) 7.365 23.176 ( 1.793 -3.326 3.432) 5.104 23.242 ( -1.569 2.176 2.947) 3.985 23.412 ( 2.462 -3.990 -2.909) 5.517 23.503 ( -1.559 4.823 -4.427) 6.730 23.996 ( 5.644 0.776 3.364) 6.616 24.086 ( -2.825 2.118 -0.361) 3.549 24.470 ( 0.344 -0.189 -0.623) 0.736 24.487 ( 0.001 2.193 -0.963) 2.395 24.982 ( 6.202 2.602 3.879) 7.764 25.044 ( -2.833 -1.956 2.492) 4.250 25.396 ( 7.237 -0.844 -0.125) 7.288 25.539 ( -9.188 -3.276 -5.438) 11.168 ======================= Grid point 180 (56/100) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 23.535 0.000 25.860) 34.966 2.161 ( 21.018 0.000 30.750) 37.247 3.251 ( 9.774 0.000 -29.454) 31.034 3.586 ( 5.937 0.000 -31.032) 31.595 3.741 ( 40.847 0.000 41.009) 57.881 4.274 ( -5.035 -0.000 1.608) 5.285 4.372 ( -4.719 -0.000 -6.070) 7.689 4.887 ( 5.517 0.000 -6.701) 8.680 5.157 ( -8.786 -0.000 -5.560) 10.398 5.245 ( -1.115 -0.000 -11.954) 12.006 5.541 ( 3.048 0.000 8.591) 9.116 5.583 ( 0.632 0.000 -8.862) 8.885 5.871 ( 9.046 0.000 -6.083) 10.901 5.928 ( -0.890 -0.000 4.869) 4.950 6.049 ( -1.091 -0.000 -3.450) 3.618 6.265 ( -5.908 -0.000 1.762) 6.165 6.602 ( 23.537 0.000 1.707) 23.599 6.659 ( 17.673 0.000 -0.250) 17.675 6.872 ( -7.489 -0.000 -15.736) 17.427 7.006 ( -11.994 -0.000 -14.752) 19.013 7.464 ( 4.480 0.000 1.631) 4.768 7.601 ( -3.091 -0.000 -3.877) 4.958 8.273 ( -6.055 -0.000 8.147) 10.151 8.475 ( -3.145 -0.000 -1.744) 3.596 8.591 ( 5.177 0.000 5.541) 7.583 8.680 ( 8.381 0.000 -5.545) 10.049 8.727 ( -2.956 -0.000 10.387) 10.800 9.125 ( 10.006 0.000 -8.559) 13.168 9.389 ( -2.218 -0.000 9.823) 10.070 9.450 ( 3.779 0.000 15.033) 15.501 9.567 ( 3.376 0.000 6.480) 7.307 9.841 ( 10.001 0.000 10.385) 14.417 9.958 ( 4.613 0.000 5.469) 7.154 10.049 ( 8.674 0.000 -3.114) 9.216 10.246 ( 2.613 0.000 3.339) 4.240 10.553 ( -4.433 -0.000 11.796) 12.601 10.766 ( -3.031 -0.000 5.603) 6.371 11.104 ( 6.331 0.000 6.459) 9.045 11.176 ( -8.386 -0.000 -4.934) 9.730 11.210 ( -6.266 -0.000 -17.425) 18.518 11.271 ( 0.483 0.000 -0.676) 0.831 11.464 ( -8.793 -0.000 -14.538) 16.990 11.533 ( -3.894 -0.000 3.107) 4.981 11.577 ( -2.618 -0.000 6.596) 7.097 12.015 ( -1.223 -0.000 -8.462) 8.549 12.179 ( -8.212 -0.000 -10.778) 13.550 12.313 ( -13.461 -0.000 -0.160) 13.462 12.538 ( -15.781 -0.000 -3.287) 16.120 13.049 ( -9.976 -0.000 6.134) 11.711 13.223 ( -6.053 -0.000 -2.164) 6.428 13.870 ( 0.839 0.000 3.862) 3.952 13.878 ( 5.355 0.000 3.701) 6.509 13.993 ( -1.317 -0.000 9.358) 9.450 14.152 ( -6.528 -0.000 -6.829) 9.447 14.162 ( -6.364 -0.000 -6.622) 9.184 14.392 ( -0.122 -0.000 -8.750) 8.751 14.907 ( -4.842 -0.000 10.442) 11.510 15.100 ( -5.274 -0.000 2.306) 5.756 15.619 ( 20.177 0.000 5.162) 20.826 15.921 ( 1.215 0.000 5.945) 6.068 16.036 ( 11.554 0.000 -9.889) 15.208 16.125 ( 14.864 0.000 -10.707) 18.319 19.766 ( 0.142 0.000 3.208) 3.211 19.876 ( -2.141 -0.000 -1.796) 2.795 20.638 ( -18.819 -0.000 11.799) 22.212 20.809 ( -16.771 -0.000 0.158) 16.772 23.100 ( -2.470 -0.000 1.466) 2.872 23.149 ( 2.408 0.000 -0.536) 2.467 23.409 ( 0.983 0.000 2.746) 2.916 23.489 ( 3.094 0.000 -1.220) 3.326 23.940 ( 9.104 0.000 -0.470) 9.116 24.070 ( 5.239 0.000 -6.726) 8.526 24.546 ( 4.947 0.000 0.247) 4.953 24.554 ( 3.736 0.000 0.510) 3.771 24.806 ( 2.563 0.000 4.904) 5.533 24.969 ( 5.573 0.000 -2.336) 6.043 25.196 ( -7.086 -0.000 8.605) 11.147 25.605 ( -3.407 -0.000 -10.850) 11.373 ======================= Grid point 181 (57/100) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 26.956 -10.457 18.513) 34.332 2.656 ( 29.035 -6.756 15.606) 33.649 3.499 ( 13.943 -5.705 -23.458) 27.879 3.729 ( 6.368 -5.311 -25.635) 26.943 4.133 ( -5.243 0.226 4.820) 7.126 4.285 ( -3.763 0.627 -4.484) 5.888 4.529 ( 33.391 -3.913 28.318) 43.956 4.899 ( -6.216 2.002 1.103) 6.623 4.995 ( -5.652 -0.739 -4.465) 7.240 5.184 ( -4.361 1.341 -7.119) 8.456 5.519 ( 0.250 10.081 4.156) 10.907 5.669 ( 3.159 -3.569 1.681) 5.054 5.837 ( -2.965 11.613 -5.880) 13.351 5.948 ( -0.073 -3.976 5.985) 7.185 6.084 ( 2.075 -6.702 -13.239) 14.983 6.200 ( -4.107 -2.462 -3.223) 5.773 6.745 ( -7.241 -0.384 -10.024) 12.372 6.800 ( -0.628 -1.548 -13.241) 13.346 7.004 ( 17.941 1.838 0.457) 18.041 7.085 ( 16.240 -6.153 -5.104) 18.101 7.533 ( 3.742 3.445 -0.658) 5.129 7.569 ( 0.066 -0.406 -2.789) 2.820 8.025 ( -14.970 1.825 12.654) 19.686 8.332 ( -7.361 4.657 1.500) 8.839 8.625 ( 7.178 10.830 7.742) 15.124 8.805 ( 4.587 -1.670 3.444) 5.974 8.932 ( 16.246 -0.762 -3.754) 16.692 9.258 ( -3.911 -4.594 -9.109) 10.926 9.285 ( 0.180 6.657 14.349) 15.819 9.494 ( 1.523 -6.563 13.479) 15.069 9.691 ( 8.606 4.798 -2.351) 10.130 9.895 ( 2.767 1.769 12.136) 12.572 10.097 ( -6.088 0.988 5.273) 8.114 10.175 ( 2.853 -8.127 -4.085) 9.533 10.318 ( 9.931 7.624 -0.029) 12.520 10.559 ( 6.564 -4.136 4.218) 8.831 10.755 ( -1.578 -1.997 3.131) 4.035 10.964 ( -7.150 0.470 -1.697) 7.363 11.054 ( -8.135 2.548 -13.345) 15.835 11.117 ( -3.320 5.973 -2.383) 7.237 11.225 ( -10.823 5.162 -4.950) 12.973 11.286 ( -4.482 -4.810 -7.453) 9.939 11.521 ( 0.575 2.066 0.422) 2.186 11.576 ( 1.537 0.469 1.855) 2.454 11.971 ( -4.011 -0.767 0.126) 4.086 12.054 ( -3.910 -7.023 -4.213) 9.076 12.196 ( -0.239 -2.477 -0.623) 2.565 12.329 ( -10.905 -8.316 -1.534) 13.800 12.963 ( -1.774 -2.254 4.064) 4.974 13.110 ( -6.862 -3.777 -0.655) 7.860 13.872 ( 0.489 3.125 5.860) 6.659 13.930 ( -4.959 0.857 7.784) 9.269 14.001 ( 5.998 0.326 -3.329) 6.868 14.050 ( -5.045 1.248 -7.171) 8.856 14.073 ( -0.133 1.876 -2.106) 2.823 14.383 ( -1.751 0.060 -8.619) 8.795 14.799 ( -6.448 -0.955 9.881) 11.837 14.981 ( -6.142 2.188 2.554) 7.003 15.898 ( 4.632 -1.403 4.961) 6.931 15.981 ( 9.704 1.391 6.886) 11.980 16.095 ( -0.070 -3.477 -2.821) 4.478 16.409 ( 13.065 5.008 -13.169) 19.215 19.780 ( 0.850 -1.214 2.151) 2.612 19.859 ( -2.071 -4.784 -1.536) 5.435 20.387 ( -8.076 2.141 6.967) 10.879 20.499 ( -14.303 3.021 0.263) 14.621 23.081 ( -0.195 -1.254 2.613) 2.905 23.201 ( 2.779 -1.036 -2.757) 4.049 23.401 ( -1.298 0.662 4.853) 5.067 23.557 ( 3.502 0.329 -1.540) 3.840 24.023 ( 3.158 4.466 -0.428) 5.487 24.118 ( -0.426 -2.117 -5.348) 5.768 24.568 ( 1.639 5.505 1.570) 5.954 24.605 ( 1.536 3.472 -0.389) 3.817 24.879 ( 5.578 -0.357 5.933) 8.151 25.003 ( -5.374 -3.852 3.609) 7.533 25.203 ( 8.839 -1.069 1.952) 9.115 25.556 ( -4.483 -3.267 -10.893) 12.224 ======================= Grid point 182 (58/100) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 25.275 -6.987 10.594) 28.282 3.343 ( 30.208 -16.349 5.983) 34.865 3.792 ( 5.068 -0.510 -10.765) 11.910 3.908 ( 5.733 -12.531 -14.823) 20.239 4.031 ( -0.817 -0.921 -0.170) 1.243 4.227 ( -1.282 1.645 -2.745) 3.448 4.628 ( -13.839 7.752 -0.116) 15.862 4.758 ( -8.621 3.876 -7.760) 12.230 5.111 ( -3.578 -5.638 8.105) 10.502 5.208 ( 17.475 -3.275 13.984) 22.620 5.346 ( -4.760 10.471 4.873) 12.491 5.696 ( 3.129 11.749 -6.928) 13.994 5.730 ( -0.052 1.494 -0.106) 1.499 5.999 ( -1.238 -5.376 0.345) 5.527 6.098 ( -7.051 1.772 -2.110) 7.570 6.153 ( 0.951 -2.395 -18.789) 18.965 6.716 ( 1.076 -9.642 -4.291) 10.609 6.879 ( 1.428 -7.414 -8.398) 11.293 7.201 ( 5.708 5.126 2.201) 7.982 7.354 ( 8.132 -1.915 -5.710) 10.119 7.508 ( -3.286 4.554 2.707) 6.234 7.584 ( 1.746 -0.447 -3.564) 3.994 7.849 ( -2.013 -1.532 10.009) 10.324 8.141 ( -7.574 5.272 0.469) 9.241 8.659 ( 1.552 3.448 8.908) 9.677 8.797 ( -2.643 6.274 1.903) 7.069 9.171 ( 3.754 6.443 16.330) 17.952 9.268 ( -4.687 -7.380 2.271) 9.032 9.284 ( 17.184 1.616 -2.156) 17.394 9.552 ( -6.270 -6.146 4.354) 9.801 9.789 ( -7.960 6.308 2.695) 10.508 9.804 ( 2.499 1.966 -7.381) 8.036 9.923 ( -0.876 3.109 7.436) 8.107 10.170 ( -7.053 -2.459 -3.974) 8.461 10.420 ( 3.864 2.927 -0.918) 4.934 10.638 ( -6.415 -4.460 -2.135) 8.099 10.852 ( 9.487 -1.809 3.739) 10.356 10.857 ( -8.601 2.752 -7.395) 11.672 10.921 ( 0.538 -0.499 -5.674) 5.721 11.040 ( -3.414 1.520 -3.272) 4.967 11.066 ( 1.864 0.206 -3.366) 3.854 11.229 ( -3.323 -1.823 -7.329) 8.252 11.438 ( -5.318 -1.031 1.869) 5.730 11.605 ( 4.311 6.162 -4.285) 8.656 12.030 ( 4.465 -3.967 4.884) 7.716 12.123 ( 4.596 -4.081 -3.001) 6.840 12.247 ( -2.712 -7.176 3.174) 8.302 12.338 ( 8.864 -1.154 1.200) 9.019 13.000 ( 1.924 -4.579 0.552) 4.998 13.080 ( -1.618 -5.997 -1.081) 6.305 13.782 ( -6.519 2.047 8.001) 10.522 13.834 ( -2.097 4.936 4.906) 7.269 13.970 ( -0.712 2.054 -3.476) 4.100 14.011 ( -1.321 0.987 -4.936) 5.204 14.157 ( 7.120 3.385 -1.777) 8.081 14.312 ( -3.427 3.556 -6.466) 8.137 14.721 ( -4.180 -3.681 7.255) 9.147 14.858 ( -4.058 1.923 2.623) 5.201 15.916 ( -3.890 -5.443 4.171) 7.884 16.070 ( -1.495 -2.484 -1.778) 3.401 16.187 ( 6.449 0.255 5.766) 8.654 16.512 ( 5.713 8.012 -7.873) 12.602 19.826 ( 1.596 -3.749 1.411) 4.311 19.894 ( -1.145 -8.140 -1.793) 8.413 20.222 ( -8.113 5.682 2.896) 10.320 20.297 ( -1.182 4.476 -0.052) 4.630 23.114 ( 1.553 -2.487 3.482) 4.552 23.261 ( 1.920 -0.562 -1.964) 2.804 23.368 ( -1.004 -0.344 3.320) 3.485 23.580 ( -0.010 2.641 -4.223) 4.981 24.010 ( -0.622 1.242 1.133) 1.792 24.102 ( -3.099 -1.023 -2.265) 3.973 24.519 ( -0.309 5.650 1.635) 5.890 24.570 ( 0.287 4.755 -0.561) 4.796 24.942 ( -6.748 -7.468 5.013) 11.244 24.987 ( 3.604 -1.674 3.632) 5.384 25.410 ( 12.407 1.531 -2.096) 12.676 25.497 ( -3.980 -1.003 -6.256) 7.482 ======================= Grid point 183 (59/100) ======================= q-point: (-0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( -7.136 7.994 7.363) 13.002 3.631 ( 9.631 0.775 2.163) 9.901 3.965 ( -7.949 1.202 2.499) 8.419 4.021 ( 16.131 -17.498 1.731) 23.862 4.215 ( 1.146 -2.798 -7.615) 8.193 4.246 ( 11.713 1.979 -3.826) 12.480 4.322 ( -4.759 2.141 -2.831) 5.937 4.537 ( -3.567 7.247 -13.431) 15.673 5.091 ( -7.315 -9.583 7.415) 14.154 5.232 ( -1.199 3.534 -4.322) 5.710 5.330 ( 0.167 5.596 2.558) 6.155 5.642 ( 0.541 9.269 1.534) 9.411 5.760 ( -1.599 -2.816 -4.402) 5.465 5.912 ( 0.189 6.703 -0.672) 6.739 6.042 ( -2.588 -7.341 -1.934) 8.020 6.215 ( 4.029 -0.533 -8.416) 9.346 6.853 ( -3.143 -8.096 1.515) 8.816 6.951 ( -1.002 -10.805 -4.395) 11.707 7.178 ( 1.052 5.668 1.020) 5.855 7.326 ( -1.964 14.574 -1.421) 14.774 7.455 ( -6.415 -5.395 0.288) 8.387 7.670 ( 8.756 -0.731 -1.580) 8.927 7.879 ( -3.115 -5.188 4.486) 7.532 7.975 ( -4.848 2.764 -5.663) 7.951 8.528 ( -11.028 1.114 5.289) 12.282 8.647 ( -9.386 0.649 0.244) 9.411 9.156 ( -8.935 1.032 6.879) 11.324 9.165 ( -5.050 3.948 17.236) 18.389 9.447 ( 6.082 -5.499 9.092) 12.243 9.566 ( -5.450 -5.869 -5.505) 9.719 9.620 ( 3.155 0.434 -0.294) 3.198 9.772 ( -6.472 2.680 5.896) 9.156 10.000 ( 5.155 -0.463 -0.473) 5.198 10.109 ( 6.668 4.637 -7.399) 10.987 10.359 ( -12.557 -4.939 -1.522) 13.579 10.565 ( -4.813 -5.197 -7.381) 10.230 10.672 ( -8.086 0.648 0.363) 8.120 10.879 ( -5.142 -4.959 -1.145) 7.235 11.016 ( 3.793 2.104 -3.023) 5.287 11.061 ( 5.259 -2.278 -6.995) 9.043 11.150 ( 7.148 5.720 -1.569) 9.289 11.237 ( 2.500 0.080 -8.690) 9.043 11.403 ( 1.830 1.684 3.955) 4.672 11.658 ( 8.104 4.723 -2.019) 9.595 12.086 ( -0.554 -2.853 2.469) 3.813 12.268 ( 6.216 2.230 5.753) 8.759 12.326 ( 8.769 0.256 -2.606) 9.152 12.565 ( 16.579 5.178 -1.613) 17.443 13.104 ( 2.044 -4.995 -0.205) 5.401 13.131 ( 1.612 -3.300 -2.484) 4.434 13.670 ( -3.326 -1.169 9.356) 9.998 13.789 ( 2.606 3.054 4.782) 6.244 13.947 ( 0.315 1.848 -0.987) 2.118 14.001 ( 1.729 1.232 -2.645) 3.392 14.145 ( -3.725 4.165 -3.287) 6.483 14.281 ( 4.514 4.091 -6.135) 8.646 14.716 ( -0.851 -4.747 6.329) 7.957 14.822 ( 1.283 -0.048 2.064) 2.431 15.867 ( -8.315 -6.923 4.178) 11.599 16.042 ( -6.294 -6.776 -3.308) 9.822 16.246 ( 1.546 3.024 5.944) 6.846 16.481 ( 0.386 8.813 -4.447) 9.879 19.896 ( -0.940 -7.247 1.863) 7.542 19.980 ( 1.460 -7.411 -1.750) 7.753 20.055 ( -2.586 4.402 5.302) 7.360 20.297 ( 7.250 7.587 -5.474) 11.836 23.172 ( 1.110 -2.800 3.785) 4.838 23.257 ( 0.359 2.858 2.627) 3.899 23.402 ( 0.957 -4.400 -2.843) 5.325 23.507 ( -3.251 4.537 -5.002) 7.495 23.960 ( -6.977 -2.437 3.065) 8.001 24.052 ( -2.194 -1.435 -0.642) 2.699 24.472 ( -0.389 2.320 1.060) 2.580 24.533 ( 0.297 3.864 -1.230) 4.066 24.888 ( -6.876 -6.578 3.828) 10.256 25.024 ( -2.431 -3.012 -0.604) 3.917 25.443 ( -0.166 3.184 2.092) 3.813 25.612 ( 12.088 3.681 -4.673) 13.472 ======================= Grid point 184 (60/100) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( -17.216 17.919 16.055) 29.584 3.412 ( -20.783 16.859 10.942) 28.912 3.844 ( -5.888 8.966 -12.922) 16.794 4.096 ( -5.564 1.859 -14.041) 15.218 4.199 ( 6.516 3.952 0.470) 7.636 4.322 ( 1.075 0.361 -4.932) 5.061 4.597 ( 0.324 -5.768 -0.368) 5.789 4.669 ( 18.847 -9.155 -5.267) 21.604 4.960 ( -12.397 1.959 9.072) 15.487 5.116 ( -8.226 -0.061 -1.125) 8.303 5.349 ( 6.347 -1.344 -5.683) 8.625 5.587 ( 4.068 8.890 4.475) 10.752 5.670 ( -1.592 -0.419 -2.698) 3.161 5.912 ( -3.142 -4.050 -13.152) 14.115 6.202 ( 7.986 -7.036 3.931) 11.347 6.270 ( 4.522 2.998 -0.258) 5.432 6.736 ( -11.970 -0.658 5.504) 13.191 6.949 ( -11.400 -5.520 -4.807) 13.547 7.143 ( -2.053 12.233 -0.563) 12.417 7.159 ( -1.366 3.030 -0.198) 3.330 7.331 ( -8.487 -8.441 -3.055) 12.354 7.693 ( -11.855 4.970 -13.056) 18.323 7.916 ( 10.189 -5.270 2.867) 11.824 7.956 ( -0.150 -5.752 5.265) 7.800 8.354 ( -6.127 -1.272 -0.344) 6.268 8.511 ( -8.050 -6.729 -7.348) 12.809 9.002 ( -3.790 -1.432 9.207) 10.059 9.058 ( -4.749 2.037 19.173) 19.857 9.388 ( -11.321 -5.948 -8.227) 15.206 9.603 ( -9.450 -1.112 6.301) 11.413 9.674 ( 2.601 0.051 6.605) 7.099 9.752 ( 4.681 -8.484 5.785) 11.285 9.948 ( -5.629 5.401 -3.495) 8.548 10.176 ( -5.935 -9.964 4.536) 12.454 10.254 ( 0.001 -2.346 2.127) 3.167 10.529 ( -7.801 -5.518 -1.670) 9.700 10.599 ( 1.501 -3.266 -5.127) 6.261 10.832 ( -3.620 -3.520 2.057) 5.452 11.055 ( -1.149 -0.657 -1.229) 1.806 11.114 ( 1.971 2.237 -7.595) 8.159 11.214 ( 6.929 5.417 -3.457) 9.451 11.303 ( 5.639 2.106 -4.646) 7.604 11.475 ( 8.656 4.195 -3.966) 10.405 11.770 ( 8.508 6.673 -5.549) 12.154 12.112 ( 1.873 0.076 1.227) 2.241 12.326 ( 7.122 8.704 10.129) 15.136 12.472 ( 9.510 7.413 -8.148) 14.552 12.818 ( 18.152 9.581 -5.547) 21.262 13.116 ( 1.493 2.741 2.750) 4.160 13.216 ( 2.379 -3.206 -2.642) 4.787 13.702 ( 2.559 -4.072 8.121) 9.438 13.864 ( 6.269 0.465 5.651) 8.453 13.955 ( -0.934 -0.711 -1.722) 2.084 14.021 ( 1.383 1.249 -3.122) 3.635 14.086 ( 5.896 4.860 -0.188) 7.643 14.338 ( 3.897 -0.180 -5.170) 6.477 14.784 ( 2.930 -4.743 6.479) 8.547 14.886 ( 4.948 -0.252 0.963) 5.047 15.735 ( -13.600 -6.730 4.928) 15.955 15.968 ( -10.476 -8.755 -4.862) 14.493 16.190 ( -3.525 4.063 5.328) 7.571 16.367 ( -3.424 7.963 -2.697) 9.078 19.902 ( -1.975 1.497 5.145) 5.711 19.961 ( -2.186 -3.517 2.952) 5.086 20.204 ( 9.181 -9.306 0.184) 13.074 20.416 ( 13.520 6.968 -8.312) 17.333 23.180 ( -0.210 1.530 2.383) 2.840 23.260 ( 0.528 0.922 1.335) 1.706 23.391 ( -2.992 1.857 -2.117) 4.108 23.466 ( -0.956 -4.373 -3.292) 5.557 23.824 ( -9.321 -3.058 5.037) 11.028 24.027 ( -5.463 -5.746 -4.354) 9.045 24.454 ( -0.297 0.368 1.307) 1.390 24.505 ( -0.053 2.500 -0.860) 2.645 24.815 ( -6.768 -4.203 3.079) 8.541 24.965 ( -7.055 -4.145 -2.827) 8.657 25.430 ( 3.788 6.790 9.126) 11.989 25.781 ( 11.197 5.549 -7.407) 14.527 ======================= Grid point 185 (61/100) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -18.022 21.049 22.324) 35.584 2.829 ( -18.626 24.468 19.750) 36.547 3.571 ( -8.758 12.094 -22.359) 26.887 3.898 ( -9.197 9.898 -25.273) 28.658 4.204 ( -24.919 12.937 24.338) 37.157 4.305 ( 3.776 3.671 0.100) 5.267 4.354 ( -0.302 2.248 -1.652) 2.806 4.856 ( -1.194 -6.112 1.478) 6.400 5.031 ( 12.287 -5.852 -7.573) 15.575 5.098 ( 0.212 -5.974 -6.244) 8.644 5.463 ( 2.787 0.318 -7.428) 7.939 5.617 ( 4.726 4.474 -2.616) 7.014 5.687 ( 2.791 0.621 -1.811) 3.384 5.900 ( -4.305 -4.462 -3.548) 7.144 6.198 ( -6.393 1.034 0.266) 6.481 6.422 ( 3.403 -2.474 -2.895) 5.107 6.478 ( -14.102 2.924 6.954) 15.993 6.702 ( -8.432 3.970 3.123) 9.829 7.056 ( 1.672 4.419 -3.150) 5.679 7.146 ( 2.167 -2.958 -6.255) 7.251 7.270 ( -8.319 -0.720 -4.924) 9.694 7.502 ( -4.287 -5.156 -12.621) 14.291 8.032 ( 1.332 -13.391 10.509) 17.074 8.152 ( 7.044 -2.450 3.036) 8.052 8.352 ( 0.917 -2.420 -5.819) 6.369 8.440 ( -3.662 -7.023 -5.955) 9.909 8.898 ( -7.925 -1.223 12.702) 15.021 9.084 ( 1.997 -2.737 11.198) 11.700 9.244 ( -11.230 -5.178 -4.129) 13.037 9.417 ( -8.206 -3.424 5.860) 10.650 9.631 ( -6.803 -1.584 -6.155) 9.309 9.707 ( -8.925 1.487 -1.559) 9.181 9.959 ( -0.199 -12.675 9.305) 15.724 10.159 ( -9.190 -2.682 11.187) 14.724 10.284 ( 1.134 -5.548 7.996) 9.798 10.475 ( 2.902 3.453 7.079) 8.393 10.669 ( 1.539 -2.819 -0.011) 3.212 10.839 ( -0.208 -5.906 2.914) 6.589 10.997 ( -4.486 -1.335 1.911) 5.056 11.158 ( 4.353 -0.557 -12.719) 13.455 11.296 ( 3.037 -2.124 1.818) 4.128 11.394 ( 6.329 1.259 -6.057) 8.851 11.584 ( 8.016 8.312 -10.837) 15.836 11.822 ( 6.455 9.688 -8.135) 14.202 12.137 ( 2.106 2.589 -3.325) 4.711 12.376 ( 6.287 7.883 1.596) 10.208 12.519 ( 4.438 6.351 -3.837) 8.646 13.011 ( 15.571 16.543 -7.933) 24.064 13.191 ( 10.368 2.400 4.217) 11.447 13.284 ( 3.427 -0.466 -2.390) 4.204 13.784 ( 1.886 -2.563 5.589) 6.431 13.890 ( -3.321 0.988 1.528) 3.787 13.992 ( 8.028 0.361 5.738) 9.874 14.102 ( 6.624 1.864 1.704) 7.089 14.211 ( 11.129 3.261 -3.780) 12.197 14.420 ( 3.148 -1.664 -5.115) 6.232 14.898 ( 4.476 -3.187 6.051) 8.174 14.999 ( 6.130 -1.329 1.361) 6.418 15.492 ( -19.098 -5.149 5.491) 20.528 15.804 ( -17.406 -8.202 -8.161) 20.900 16.057 ( -5.511 4.369 5.758) 9.090 16.216 ( -5.154 5.689 -1.764) 7.877 19.848 ( -0.616 3.504 6.349) 7.278 19.970 ( -0.453 -1.982 2.176) 2.978 20.508 ( 11.565 -12.735 0.487) 17.209 20.664 ( 19.512 3.945 -7.487) 21.269 23.163 ( 0.578 2.443 0.848) 2.649 23.212 ( -3.234 2.468 -0.644) 4.119 23.355 ( -1.908 -2.159 1.393) 3.200 23.470 ( -2.095 -2.945 -3.124) 4.777 23.710 ( -7.685 -5.524 4.207) 10.357 23.940 ( -11.447 -7.674 -7.085) 15.496 24.447 ( -0.878 -0.633 1.676) 1.995 24.477 ( -0.984 1.044 0.106) 1.438 24.733 ( -4.834 -1.972 3.573) 6.327 24.871 ( -6.867 -3.824 -2.171) 8.154 25.438 ( 4.824 8.182 12.466) 15.672 25.911 ( 9.755 7.613 -10.307) 16.104 ======================= Grid point 186 (62/100) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -10.260 22.236 28.625) 37.671 2.289 ( -13.116 23.028 30.302) 40.256 3.334 ( -4.501 13.004 -28.657) 31.789 3.497 ( -20.165 26.979 39.456) 51.877 3.634 ( -9.138 8.809 -27.625) 30.401 4.349 ( 1.673 -0.931 -0.998) 2.159 4.407 ( 2.108 -3.502 -4.096) 5.787 4.882 ( -0.541 1.553 -11.955) 12.067 5.142 ( -0.674 -5.329 -9.543) 10.951 5.251 ( 6.411 -3.002 -8.718) 11.230 5.483 ( 2.698 2.940 2.074) 4.497 5.625 ( -2.545 -0.601 -6.994) 7.467 5.698 ( -1.003 2.834 -2.450) 3.878 5.848 ( -2.081 -1.214 -0.395) 2.441 6.044 ( -11.146 -6.257 3.002) 13.130 6.193 ( -5.696 5.940 6.754) 10.646 6.402 ( -5.859 3.347 -9.003) 11.251 6.618 ( 0.690 8.702 1.869) 8.927 7.086 ( 5.730 2.065 -13.253) 14.586 7.188 ( 2.846 -2.317 -2.231) 4.295 7.266 ( -0.154 -8.457 0.697) 8.487 7.533 ( -1.017 -6.464 -5.157) 8.331 8.217 ( 1.097 -7.271 7.723) 10.663 8.276 ( 4.324 -6.270 3.312) 8.306 8.320 ( -2.562 -9.174 -3.723) 10.227 8.570 ( 5.371 -0.346 -6.929) 8.774 8.797 ( -9.452 -7.768 6.548) 13.877 8.974 ( -4.146 0.878 1.521) 4.503 9.164 ( -2.876 -3.448 9.668) 10.660 9.476 ( 1.168 -5.508 -0.849) 5.694 9.503 ( -3.131 -2.554 -1.731) 4.396 9.550 ( -11.061 -4.009 2.942) 12.127 9.894 ( -10.840 -1.788 7.419) 13.257 10.141 ( 1.889 0.191 13.423) 13.556 10.271 ( -0.159 2.409 11.654) 11.902 10.550 ( 5.134 -0.152 8.266) 9.732 10.713 ( -0.466 -2.555 16.932) 17.130 10.920 ( -3.602 -12.332 7.060) 14.660 10.995 ( 6.073 -0.726 -4.247) 7.446 11.239 ( 0.412 -2.679 -15.851) 16.081 11.367 ( 1.244 -6.017 -6.658) 9.060 11.522 ( 4.448 -6.186 5.385) 9.330 11.571 ( 2.746 13.405 -12.306) 18.403 11.844 ( 6.510 9.395 -9.161) 14.648 12.128 ( 0.272 4.349 -6.819) 8.093 12.355 ( -0.846 4.467 -13.396) 14.147 12.592 ( 5.660 -1.748 3.137) 6.703 13.051 ( 6.386 15.800 -6.668) 18.299 13.355 ( 5.666 3.597 -1.256) 6.828 13.419 ( 15.803 3.386 -2.974) 16.433 13.806 ( -1.567 -1.128 3.659) 4.137 13.825 ( -2.904 1.344 3.637) 4.844 14.153 ( 6.615 6.839 7.297) 11.991 14.204 ( 11.899 -1.937 5.162) 13.114 14.442 ( 16.578 2.242 -4.194) 17.247 14.458 ( 1.367 1.813 -7.321) 7.665 14.985 ( 0.590 2.963 7.130) 7.744 15.041 ( -11.206 -6.824 3.668) 13.623 15.222 ( -5.913 -3.132 1.485) 6.854 15.453 ( -26.115 -1.401 -10.596) 28.217 15.936 ( -3.518 2.257 6.529) 7.753 16.085 ( -3.887 3.059 -0.743) 5.002 19.811 ( -0.025 2.852 6.125) 6.756 19.975 ( 0.360 0.963 0.311) 1.075 20.852 ( 10.143 -14.262 2.296) 17.650 21.040 ( 21.385 -1.008 -7.356) 22.638 23.115 ( -4.687 0.715 0.855) 4.818 23.153 ( -0.773 -0.104 -0.562) 0.961 23.352 ( 0.072 -1.674 1.662) 2.360 23.483 ( 2.157 -0.947 -3.568) 4.276 23.607 ( -10.097 -3.920 2.389) 11.092 23.777 ( -12.799 -7.689 -5.435) 15.890 24.426 ( -1.746 -0.609 1.649) 2.477 24.458 ( -0.699 -0.430 -0.221) 0.850 24.693 ( -1.886 -2.988 4.713) 5.891 24.804 ( -3.728 -2.993 -0.878) 4.861 25.437 ( 3.388 7.929 13.792) 16.265 25.975 ( 6.356 10.691 -13.049) 18.027 ======================= Grid point 187 (63/100) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -0.000 22.143 32.290) 39.152 1.984 ( -0.000 13.172 39.759) 41.884 2.958 ( -0.000 27.241 48.013) 55.202 3.217 ( -0.000 10.638 -26.843) 28.874 3.489 ( -0.000 3.957 -32.201) 32.443 4.381 ( 0.000 -1.425 -1.435) 2.022 4.464 ( 0.000 -2.901 -4.223) 5.124 4.802 ( -0.000 9.303 -25.938) 27.556 5.195 ( 0.000 -5.748 -7.512) 9.459 5.332 ( 0.000 -1.430 -5.495) 5.678 5.489 ( -0.000 1.287 -1.223) 1.776 5.603 ( 0.000 -1.963 7.504) 7.756 5.637 ( -0.000 3.235 -9.010) 9.573 5.866 ( 0.000 -3.953 -0.111) 3.955 5.959 ( 0.000 -4.464 7.311) 8.566 6.141 ( -0.000 8.837 1.606) 8.982 6.265 ( -0.000 0.208 -7.870) 7.873 6.537 ( -0.000 8.065 -6.279) 10.221 7.180 ( 0.000 -1.812 -15.140) 15.249 7.284 ( 0.000 -6.674 15.070) 16.482 7.297 ( 0.000 -1.525 -11.374) 11.475 7.586 ( 0.000 -6.098 -0.682) 6.136 8.182 ( -0.000 2.400 3.244) 4.035 8.412 ( 0.000 -11.791 -0.107) 11.791 8.470 ( -0.000 5.731 -9.710) 11.275 8.525 ( 0.000 -4.921 -4.535) 6.692 8.752 ( 0.000 -11.718 14.131) 18.357 9.108 ( 0.000 -5.277 -1.360) 5.450 9.116 ( 0.000 -0.193 9.075) 9.078 9.405 ( -0.000 1.760 1.643) 2.408 9.465 ( 0.000 -2.842 5.332) 6.042 9.617 ( 0.000 -8.316 2.152) 8.590 9.759 ( -0.000 4.482 12.884) 13.642 10.100 ( -0.000 9.860 7.309) 12.274 10.264 ( -0.000 1.183 14.184) 14.233 10.684 ( 0.000 -14.507 14.663) 20.627 10.693 ( -0.000 1.621 18.403) 18.474 10.999 ( 0.000 -12.134 3.799) 12.715 11.101 ( -0.000 2.123 7.115) 7.425 11.209 ( -0.000 1.409 -15.696) 15.759 11.464 ( -0.000 11.806 -16.322) 20.144 11.476 ( 0.000 -11.365 -14.421) 18.361 11.629 ( 0.000 -5.299 10.380) 11.655 11.850 ( -0.000 5.579 -10.201) 11.627 12.085 ( -0.000 2.654 -6.506) 7.027 12.308 ( -0.000 2.992 -15.313) 15.602 12.689 ( 0.000 -2.548 0.382) 2.576 12.965 ( -0.000 11.342 -4.905) 12.357 13.376 ( -0.000 4.691 -1.366) 4.886 13.618 ( 0.000 -1.486 -12.324) 12.413 13.757 ( 0.000 -0.022 4.665) 4.665 13.778 ( -0.000 0.894 3.983) 4.082 14.121 ( -0.000 8.571 2.637) 8.968 14.410 ( -0.000 6.169 -6.353) 8.855 14.554 ( 0.000 -4.742 11.432) 12.376 14.667 ( 0.000 -1.186 -0.292) 1.221 14.745 ( 0.000 -2.117 -3.120) 3.770 14.985 ( -0.000 11.393 -6.012) 12.882 15.069 ( 0.000 -5.692 4.512) 7.264 15.231 ( -0.000 0.062 -0.121) 0.136 15.891 ( -0.000 0.702 6.612) 6.649 16.026 ( -0.000 1.624 0.085) 1.626 19.788 ( -0.000 2.008 5.335) 5.700 19.961 ( -0.000 2.701 -1.689) 3.186 21.093 ( 0.000 -12.072 3.746) 12.640 21.324 ( 0.000 -4.659 -8.880) 10.028 23.062 ( 0.000 -0.846 1.861) 2.044 23.144 ( 0.000 -1.352 -1.805) 2.256 23.418 ( -0.000 1.574 2.712) 3.136 23.447 ( 0.000 -3.649 4.654) 5.913 23.539 ( -0.000 2.075 -2.715) 3.417 23.702 ( 0.000 -8.097 -6.744) 10.537 24.415 ( 0.000 -1.087 1.396) 1.769 24.457 ( 0.000 -0.775 -0.944) 1.222 24.720 ( 0.000 -4.809 4.423) 6.533 24.802 ( 0.000 -3.947 0.405) 3.968 25.400 ( -0.000 5.864 13.225) 14.466 25.912 ( -0.000 14.468 -13.430) 19.741 ======================= Grid point 190 (64/100) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 29.481 0.000 11.314) 31.578 3.172 ( 30.030 0.000 5.274) 30.490 3.736 ( 13.702 0.000 -17.687) 22.374 3.811 ( 4.161 0.000 -16.830) 17.337 4.040 ( -4.290 -0.000 7.036) 8.241 4.249 ( 0.636 0.000 -2.336) 2.420 4.733 ( -6.185 -0.000 -3.067) 6.904 4.752 ( -12.277 -0.000 -0.870) 12.308 5.051 ( -10.614 -0.000 2.352) 10.871 5.159 ( 20.807 0.000 16.619) 26.629 5.546 ( -5.576 -0.000 3.621) 6.648 5.696 ( 3.977 0.000 8.920) 9.766 5.813 ( -5.568 -0.000 5.341) 7.715 5.937 ( 1.254 0.000 -3.466) 3.685 6.107 ( 2.430 0.000 -30.432) 30.529 6.146 ( -1.247 -0.000 -6.851) 6.963 6.610 ( -1.588 -0.000 -7.045) 7.221 6.791 ( -0.458 -0.000 -11.964) 11.973 7.279 ( 4.501 0.000 0.485) 4.527 7.279 ( 9.263 0.000 0.984) 9.315 7.564 ( 1.738 0.000 0.885) 1.950 7.605 ( 0.224 0.000 -1.264) 1.284 7.830 ( -4.251 -0.000 12.268) 12.984 8.198 ( -9.861 -0.000 -0.523) 9.875 8.703 ( -3.411 -0.000 9.988) 10.555 8.854 ( -0.813 -0.000 4.318) 4.394 9.152 ( -0.318 -0.000 -0.386) 0.501 9.305 ( 19.014 0.000 -1.139) 19.048 9.368 ( 0.159 0.000 15.949) 15.950 9.379 ( -6.076 -0.000 5.704) 8.334 9.860 ( -12.562 -0.000 -5.759) 13.819 9.860 ( 5.888 0.000 -3.424) 6.812 9.989 ( -7.664 -0.000 13.201) 15.264 10.082 ( -1.509 -0.000 -1.006) 1.814 10.500 ( 1.166 0.000 -2.705) 2.945 10.542 ( -2.621 -0.000 -1.012) 2.810 10.813 ( 6.442 0.000 1.934) 6.726 10.896 ( -8.303 -0.000 -15.438) 17.529 10.947 ( -12.222 -0.000 -4.105) 12.893 10.977 ( 6.069 0.000 -9.204) 11.025 11.158 ( -0.524 -0.000 -2.703) 2.753 11.184 ( -0.725 -0.000 0.217) 0.757 11.437 ( -4.531 -0.000 0.909) 4.622 11.671 ( 2.364 0.000 -9.979) 10.255 11.997 ( 3.300 0.000 6.401) 7.202 12.064 ( 10.677 0.000 -1.330) 10.760 12.163 ( -0.930 -0.000 8.908) 8.956 12.327 ( 13.820 0.000 0.504) 13.829 12.959 ( 1.755 0.000 -0.854) 1.952 13.003 ( -1.792 -0.000 0.118) 1.796 13.805 ( -8.055 -0.000 8.341) 11.595 13.891 ( -1.747 -0.000 3.176) 3.625 13.994 ( -0.507 -0.000 -3.588) 3.624 14.014 ( -1.799 -0.000 -6.447) 6.693 14.206 ( 9.288 0.000 -0.538) 9.304 14.353 ( -2.072 -0.000 -8.311) 8.566 14.675 ( -5.616 -0.000 10.207) 11.650 14.877 ( -5.956 -0.000 1.872) 6.243 15.858 ( -3.993 -0.000 4.109) 5.729 16.026 ( -4.781 -0.000 -3.531) 5.943 16.207 ( 9.256 0.000 8.170) 12.346 16.597 ( 4.986 0.000 -9.577) 10.797 19.793 ( -1.919 -0.000 0.294) 1.942 19.801 ( 2.051 0.000 -0.047) 2.052 20.283 ( -10.229 -0.000 2.748) 10.592 20.341 ( 0.861 0.000 0.735) 1.132 23.089 ( 1.529 0.000 3.492) 3.812 23.249 ( 2.815 0.000 -3.985) 4.880 23.370 ( -1.985 -0.000 5.869) 6.196 23.605 ( 1.045 0.000 -3.635) 3.782 24.038 ( -5.333 -0.000 -1.722) 5.604 24.072 ( -0.830 -0.000 -1.717) 1.907 24.616 ( -0.329 -0.000 1.638) 1.671 24.630 ( -0.323 -0.000 -0.374) 0.494 24.828 ( -8.091 -0.000 7.119) 10.777 24.958 ( 2.780 0.000 3.016) 4.102 25.429 ( 13.471 0.000 -2.582) 13.716 25.489 ( -1.493 -0.000 -6.503) 6.672 ======================= Grid point 191 (65/100) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.582 ( 21.535 0.260 4.211) 21.945 3.709 ( 16.028 -5.770 1.913) 17.142 3.797 ( -0.146 2.477 -1.159) 2.739 3.907 ( 0.980 -5.469 -1.594) 5.780 4.073 ( 7.877 -2.662 -5.183) 9.798 4.322 ( 8.345 2.758 -5.215) 10.220 4.466 ( -12.827 5.700 2.217) 14.210 4.638 ( -3.300 3.394 -10.086) 11.142 4.872 ( -10.480 -9.395 7.411) 15.906 5.360 ( -2.279 3.244 5.068) 6.435 5.419 ( -0.507 5.081 0.785) 5.166 5.689 ( -4.299 0.073 -3.953) 5.840 5.732 ( -4.400 -3.416 4.438) 7.122 5.947 ( -0.190 -1.316 -1.439) 1.959 6.106 ( 1.207 8.601 -4.564) 9.812 6.194 ( 7.417 -0.276 -20.757) 22.044 6.710 ( 5.297 -4.858 -3.931) 8.192 6.778 ( -3.257 -6.268 -4.837) 8.561 7.235 ( -5.824 0.265 8.121) 9.998 7.363 ( -1.018 -1.990 2.995) 3.737 7.568 ( 0.084 7.921 1.719) 8.106 7.650 ( 5.111 -1.526 -0.063) 5.334 7.808 ( -2.085 -0.977 2.291) 3.248 8.003 ( -9.112 -0.187 -5.737) 10.769 8.570 ( -10.357 2.008 5.247) 11.783 8.671 ( -15.234 0.947 -0.013) 15.263 9.171 ( -6.013 2.112 8.425) 10.564 9.241 ( -0.435 -0.502 9.967) 9.989 9.339 ( -5.598 -3.020 15.715) 16.954 9.528 ( -2.206 2.020 -2.472) 3.880 9.587 ( -4.608 -2.831 -4.231) 6.866 9.822 ( -6.976 1.508 10.204) 12.452 10.004 ( 6.212 1.454 1.167) 6.486 10.102 ( 0.424 -3.534 0.101) 3.561 10.387 ( -8.777 4.387 -7.007) 12.058 10.460 ( -8.292 -3.778 -6.200) 11.021 10.706 ( -11.164 1.402 -6.635) 13.062 10.795 ( -2.364 -1.261 -3.222) 4.191 10.876 ( -2.309 -8.108 -5.984) 10.338 11.100 ( 5.180 0.952 -15.291) 16.173 11.264 ( 11.457 3.460 0.245) 11.971 11.305 ( 13.075 4.784 2.452) 14.136 11.435 ( 3.610 0.999 -0.186) 3.751 11.685 ( 1.927 -1.210 -9.331) 9.604 12.040 ( 1.608 -1.330 5.462) 5.847 12.288 ( 12.122 0.750 17.270) 21.112 12.338 ( 17.243 0.235 -5.008) 17.957 12.632 ( 17.032 1.564 -1.718) 17.190 13.006 ( 2.135 -2.866 -2.583) 4.409 13.056 ( 5.038 -3.269 -0.992) 6.087 13.663 ( -5.961 0.062 9.072) 10.855 13.839 ( -1.370 1.431 -0.627) 2.078 13.978 ( -1.621 0.229 -3.684) 4.032 14.016 ( 2.574 1.208 1.321) 3.135 14.276 ( -0.632 6.647 -4.121) 7.846 14.359 ( 5.376 2.016 -4.905) 7.552 14.627 ( -0.929 -3.263 8.612) 9.256 14.796 ( -2.458 -1.804 1.802) 3.542 15.769 ( -7.153 -2.559 3.415) 8.329 15.921 ( -8.428 -3.816 -3.453) 9.875 16.308 ( 2.731 1.938 7.767) 8.458 16.610 ( -1.065 3.653 -5.879) 7.002 19.783 ( -0.958 -3.351 1.697) 3.876 19.866 ( 3.226 -3.213 -1.937) 4.948 20.127 ( -5.443 2.077 6.379) 8.639 20.402 ( 7.050 2.795 -5.806) 9.551 23.129 ( 1.838 -1.257 3.709) 4.327 23.291 ( 1.309 0.314 -2.527) 2.863 23.347 ( -0.373 -0.896 3.204) 3.348 23.577 ( -3.303 2.068 -5.770) 6.963 23.924 ( -6.991 -0.934 2.243) 7.401 24.023 ( -4.998 -1.081 -1.903) 5.456 24.561 ( -1.650 5.631 2.598) 6.417 24.599 ( -0.878 2.266 -0.110) 2.432 24.745 ( -5.664 -6.964 4.563) 10.070 24.966 ( -3.191 -2.023 -2.931) 4.782 25.493 ( 2.445 1.452 2.784) 3.979 25.667 ( 12.866 1.523 -4.419) 13.689 ======================= Grid point 192 (66/100) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.495 ( -11.102 15.706 12.640) 23.015 3.654 ( -10.989 8.506 7.291) 15.693 3.946 ( 2.596 -1.507 -4.720) 5.594 4.068 ( -0.085 -3.630 -5.832) 6.870 4.200 ( -5.651 -5.517 -0.606) 7.921 4.266 ( 4.850 1.473 -3.143) 5.964 4.547 ( 1.284 -1.344 -6.967) 7.211 4.584 ( 15.113 1.401 -1.932) 15.300 4.876 ( -2.214 -8.809 -0.687) 9.109 5.147 ( -10.857 4.494 -4.431) 12.558 5.409 ( 2.176 0.772 -1.769) 2.909 5.655 ( 1.525 -0.080 -11.866) 11.964 5.678 ( -3.533 -1.056 7.865) 8.687 5.951 ( -2.296 2.227 -4.872) 5.828 6.094 ( 8.824 3.572 5.102) 10.801 6.330 ( 6.887 3.290 -8.119) 11.143 6.708 ( -4.859 -2.819 5.581) 7.919 6.829 ( -5.971 -4.476 -5.683) 9.380 7.118 ( -8.434 -7.823 3.628) 12.062 7.252 ( -10.458 3.123 1.153) 10.975 7.430 ( -2.324 12.939 2.933) 13.469 7.657 ( -11.924 -5.322 7.082) 14.855 7.856 ( 9.532 -4.028 -5.296) 11.625 7.903 ( -3.411 1.324 -11.711) 12.269 8.365 ( -6.571 0.646 -1.105) 6.695 8.438 ( -7.121 -1.219 -4.761) 8.652 9.026 ( -7.911 3.055 5.408) 10.058 9.083 ( -7.945 1.786 14.783) 16.878 9.313 ( -5.939 -1.503 2.410) 6.583 9.491 ( -5.668 -11.187 8.326) 15.053 9.583 ( -4.892 -5.014 5.769) 9.075 9.673 ( -7.193 -0.264 6.838) 9.928 9.953 ( -8.215 -5.926 2.284) 10.384 10.073 ( -13.105 0.465 -2.744) 13.398 10.245 ( 3.091 1.169 -3.428) 4.762 10.419 ( -6.361 -4.161 -1.658) 7.780 10.557 ( 1.666 -1.050 -0.739) 2.103 10.785 ( -1.777 -1.452 -2.694) 3.539 10.944 ( 0.131 -7.088 0.496) 7.107 11.159 ( 2.769 1.405 -17.238) 17.515 11.377 ( 5.618 9.053 -1.679) 10.786 11.423 ( 6.808 8.047 0.810) 10.572 11.552 ( 12.494 3.331 -6.851) 14.633 11.825 ( 9.267 -1.971 -8.177) 12.515 12.091 ( 2.353 -1.295 8.493) 8.907 12.500 ( 13.333 8.636 11.653) 19.701 12.617 ( 13.353 7.328 -9.525) 17.965 12.860 ( 9.059 -4.306 -2.095) 10.246 13.091 ( 1.485 -7.303 -2.491) 7.858 13.227 ( 14.074 6.816 -2.112) 15.780 13.635 ( 1.951 -2.535 8.730) 9.297 13.857 ( 3.433 -2.148 0.601) 4.094 13.954 ( -0.780 0.352 -0.804) 1.174 14.063 ( 5.292 3.404 2.925) 6.939 14.218 ( 3.482 6.674 -3.203) 8.181 14.384 ( 1.847 4.520 -4.148) 6.406 14.689 ( 2.989 -4.017 7.274) 8.830 14.843 ( 3.316 -4.538 0.359) 5.632 15.636 ( -10.571 -2.695 3.414) 11.431 15.798 ( -10.866 -7.372 -3.600) 13.615 16.275 ( -3.096 3.489 7.062) 8.463 16.502 ( -5.488 5.230 -3.386) 8.303 19.817 ( -0.138 -5.201 3.670) 6.367 19.955 ( 0.650 -1.931 -0.645) 2.137 20.072 ( 2.428 -2.208 7.391) 8.087 20.542 ( 12.314 4.903 -11.723) 17.694 23.170 ( 1.103 -1.474 3.028) 3.543 23.294 ( 0.523 1.743 0.079) 1.821 23.367 ( -0.529 -3.134 -1.727) 3.617 23.457 ( -6.363 2.434 -4.015) 7.908 23.790 ( -8.539 -0.682 3.762) 9.356 23.928 ( -7.818 -3.991 -2.721) 9.189 24.491 ( -1.008 3.101 3.180) 4.555 24.560 ( -0.790 2.518 -0.504) 2.686 24.718 ( -4.130 -5.216 2.254) 7.024 24.893 ( -6.750 -2.874 -4.290) 8.498 25.536 ( 4.529 3.752 9.413) 11.099 25.868 ( 11.472 3.088 -6.509) 13.547 ======================= Grid point 193 (67/100) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( -13.642 22.614 18.610) 32.309 3.254 ( -15.698 18.819 15.095) 28.782 3.802 ( -7.666 9.980 -14.462) 19.170 4.016 ( -6.268 1.838 -15.285) 16.623 4.185 ( -7.199 -6.477 3.848) 10.421 4.293 ( -0.925 -4.384 -3.139) 5.471 4.497 ( -8.382 -0.547 0.681) 8.427 4.828 ( -1.862 3.810 3.458) 5.472 4.906 ( 9.546 -5.554 -5.982) 12.560 5.021 ( -0.635 -1.570 -8.504) 8.671 5.464 ( 5.431 2.352 -1.531) 6.113 5.703 ( 7.132 0.984 -0.447) 7.213 5.760 ( 4.887 -2.689 -3.139) 6.401 5.850 ( -1.517 7.929 -3.245) 8.701 6.171 ( -7.195 -1.853 1.419) 7.564 6.403 ( 6.166 1.820 -4.919) 8.095 6.561 ( -12.019 5.525 9.495) 16.283 6.724 ( -0.529 -4.113 4.455) 6.086 6.996 ( -8.463 -2.162 -0.473) 8.748 7.181 ( -0.266 -6.842 -2.926) 7.446 7.269 ( -0.521 10.067 -4.061) 10.867 7.449 ( -13.152 -1.644 -5.847) 14.487 7.843 ( -1.088 -4.917 2.463) 5.606 8.108 ( 8.401 -4.613 -6.126) 11.375 8.326 ( -0.098 -2.206 -2.713) 3.498 8.378 ( -0.998 3.527 -9.697) 10.366 8.853 ( -10.399 -2.045 9.388) 14.158 9.014 ( 1.010 -5.971 11.006) 12.562 9.149 ( -12.023 -1.123 0.928) 12.110 9.367 ( -13.068 -2.698 9.344) 16.290 9.520 ( -10.329 -8.515 -0.860) 13.414 9.617 ( -7.494 -15.444 10.067) 19.901 9.810 ( -9.032 4.000 -9.483) 13.694 9.954 ( -6.463 -15.001 1.772) 16.430 10.253 ( -2.198 0.245 12.852) 13.041 10.438 ( 8.534 -3.463 8.911) 12.815 10.683 ( 6.552 -0.298 -2.243) 6.932 10.739 ( -5.306 -2.660 0.068) 5.936 10.974 ( -1.552 -1.343 2.384) 3.146 11.181 ( 1.723 1.844 -17.745) 17.924 11.384 ( 4.985 8.281 1.377) 9.764 11.436 ( 2.300 4.076 2.010) 5.093 11.738 ( 11.777 7.257 -12.790) 18.840 11.974 ( 7.269 4.350 -10.699) 13.647 12.159 ( 4.173 -0.226 4.604) 6.218 12.548 ( 1.533 9.088 2.125) 9.459 12.624 ( -2.559 4.329 -7.876) 9.345 13.152 ( 17.164 -1.567 -1.663) 17.316 13.199 ( 3.801 -3.704 -2.498) 5.866 13.400 ( 16.038 14.394 -2.941) 21.749 13.733 ( 3.837 -2.747 6.914) 8.371 13.915 ( -0.709 0.698 -0.532) 1.128 14.006 ( 8.404 0.032 6.318) 10.514 14.151 ( 8.216 4.032 5.709) 10.787 14.303 ( 10.497 3.931 -5.949) 12.689 14.387 ( 1.910 0.293 -2.194) 2.924 14.800 ( 3.407 -5.441 5.854) 8.688 14.965 ( 4.795 -3.974 -1.137) 6.331 15.423 ( -14.473 -0.875 4.848) 15.288 15.659 ( -12.156 -6.397 -4.955) 14.603 16.142 ( -6.827 3.819 6.705) 10.303 16.325 ( -7.666 4.941 -2.001) 9.337 19.873 ( 0.561 -4.566 5.863) 7.452 19.927 ( -0.979 2.294 6.072) 6.564 20.257 ( 7.469 -11.775 2.532) 14.172 20.761 ( 16.745 4.893 -16.424) 23.960 23.195 ( 0.289 0.187 1.387) 1.429 23.255 ( -3.773 1.897 -0.511) 4.254 23.325 ( -5.374 -0.460 -1.418) 5.577 23.381 ( -2.173 -4.909 -2.979) 6.140 23.656 ( -5.686 -0.572 3.771) 6.847 23.808 ( -10.248 -5.207 -3.664) 12.065 24.454 ( -1.024 1.085 3.079) 3.421 24.519 ( -1.090 2.482 -0.486) 2.754 24.693 ( -2.628 -2.079 1.657) 3.738 24.798 ( -6.173 -3.315 -1.953) 7.274 25.575 ( 4.477 5.469 12.730) 14.560 26.026 ( 9.530 4.164 -8.950) 13.721 ======================= Grid point 194 (68/100) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -8.174 25.326 24.002) 35.837 2.758 ( -14.060 23.774 22.418) 35.573 3.584 ( -2.807 12.281 -23.615) 26.765 3.790 ( -10.790 7.562 -23.566) 26.999 4.023 ( -9.737 15.371 21.821) 28.411 4.304 ( -2.969 -4.541 0.035) 5.426 4.341 ( -1.930 -0.698 -2.357) 3.125 4.801 ( 0.798 -4.271 1.155) 4.496 5.038 ( -0.158 -5.955 -3.992) 7.171 5.147 ( 5.821 -6.983 -14.127) 16.800 5.546 ( 4.125 2.478 -3.905) 6.197 5.706 ( -3.970 0.364 -5.703) 6.959 5.790 ( 0.544 9.651 2.084) 9.888 5.845 ( 2.535 -1.428 2.253) 3.680 5.982 ( -7.764 6.179 -0.492) 9.935 6.294 ( -4.291 5.004 -5.232) 8.416 6.485 ( 0.749 4.764 1.437) 5.032 6.780 ( 3.408 6.519 6.754) 9.987 6.963 ( -2.846 -11.573 7.070) 13.857 7.168 ( -1.514 4.009 -9.367) 10.301 7.247 ( 2.526 1.883 -6.572) 7.288 7.350 ( -2.793 -11.474 -10.863) 16.046 7.993 ( 7.365 -11.458 5.388) 14.648 8.165 ( -2.569 -2.048 0.951) 3.420 8.281 ( -1.894 0.602 -0.759) 2.127 8.475 ( 2.637 -9.500 -8.057) 12.732 8.699 ( -6.715 -1.020 5.056) 8.467 8.962 ( -8.422 -2.718 -1.899) 9.051 9.126 ( -2.359 -1.847 9.212) 9.687 9.235 ( -1.938 -11.199 5.129) 12.469 9.438 ( -6.281 -6.892 -2.032) 9.544 9.546 ( -7.263 -2.716 0.855) 7.801 9.704 ( -9.142 -13.086 4.452) 16.572 9.981 ( -3.873 -11.461 11.421) 16.637 10.285 ( 3.951 -0.264 13.435) 14.006 10.652 ( 10.370 1.043 16.686) 19.673 10.668 ( -5.663 -5.959 -3.876) 9.088 10.763 ( 2.510 1.207 4.939) 5.670 10.941 ( -1.980 -1.647 -2.037) 3.283 11.203 ( 2.032 0.598 -19.623) 19.737 11.382 ( 1.512 4.931 -0.656) 5.200 11.452 ( 2.085 0.284 8.352) 8.613 11.823 ( 6.669 11.200 -12.573) 18.111 12.015 ( 4.763 7.290 -12.901) 15.565 12.209 ( 0.857 3.471 -5.737) 6.759 12.438 ( -3.618 3.829 -8.748) 10.212 12.548 ( -3.057 -2.015 3.135) 4.820 13.262 ( 2.321 3.052 -11.308) 11.940 13.451 ( 14.489 3.724 1.554) 15.040 13.544 ( 14.235 12.622 -1.046) 19.053 13.788 ( -0.011 -0.803 5.518) 5.576 13.872 ( -2.146 3.441 2.025) 4.532 14.177 ( 8.290 -1.117 7.325) 11.119 14.276 ( 11.595 5.887 7.604) 15.064 14.449 ( 2.701 -1.973 -2.527) 4.192 14.487 ( 12.717 1.672 -6.066) 14.188 14.866 ( -6.477 -7.887 4.438) 11.129 15.071 ( -0.556 -0.668 -2.790) 2.922 15.156 ( -9.063 -0.327 6.741) 11.300 15.459 ( -11.819 1.902 -6.400) 13.574 15.983 ( -5.963 2.398 7.030) 9.525 16.152 ( -5.867 3.418 -1.142) 6.885 19.876 ( -0.071 3.437 8.188) 8.881 19.938 ( 0.333 -4.073 4.976) 6.439 20.536 ( 6.676 -16.693 3.125) 18.248 21.048 ( 16.662 1.542 -19.948) 26.037 23.126 ( -7.618 0.202 0.142) 7.622 23.148 ( -4.103 -0.358 -0.685) 4.175 23.306 ( 0.678 -2.787 0.926) 3.014 23.414 ( 0.861 -4.978 -3.045) 5.899 23.572 ( -5.752 -0.563 1.594) 5.996 23.671 ( -7.446 -2.218 -2.300) 8.102 24.428 ( -1.014 0.345 2.130) 2.384 24.474 ( -1.159 1.934 -0.169) 2.261 24.659 ( -2.201 -0.777 3.752) 4.419 24.749 ( -2.468 -2.694 -0.713) 3.722 25.586 ( 2.945 6.612 14.537) 16.239 26.128 ( 6.095 5.182 -11.589) 14.082 ======================= Grid point 195 (69/100) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -0.000 27.278 25.459) 37.313 2.334 ( -0.000 21.441 31.471) 38.081 3.443 ( -0.000 14.767 -28.725) 32.299 3.594 ( -0.000 6.357 -26.985) 27.723 3.641 ( -0.000 33.484 36.249) 49.348 4.334 ( 0.000 -4.406 -0.786) 4.475 4.372 ( 0.000 -5.516 -3.564) 6.567 4.873 ( 0.000 -5.211 -7.341) 9.002 5.084 ( 0.000 -4.561 -7.605) 8.868 5.273 ( 0.000 -6.057 -14.479) 15.695 5.534 ( -0.000 3.054 -0.437) 3.085 5.685 ( -0.000 13.463 2.973) 13.788 5.686 ( -0.000 0.549 -7.282) 7.303 5.845 ( -0.000 3.260 -2.279) 3.978 5.851 ( 0.000 -5.717 8.378) 10.142 6.294 ( -0.000 3.219 -13.978) 14.344 6.337 ( -0.000 10.574 6.830) 12.588 6.719 ( -0.000 9.527 -1.778) 9.691 7.065 ( 0.000 -14.233 13.152) 19.379 7.164 ( -0.000 0.825 -14.846) 14.869 7.281 ( 0.000 -0.065 -8.010) 8.010 7.432 ( 0.000 -10.458 -3.654) 11.078 8.164 ( 0.000 -4.340 5.408) 6.934 8.183 ( 0.000 -9.071 4.851) 10.287 8.388 ( 0.000 -8.767 -3.433) 9.415 8.453 ( 0.000 -6.734 0.183) 6.736 8.675 ( -0.000 2.051 -3.967) 4.466 8.961 ( 0.000 -7.630 -6.048) 9.736 9.103 ( 0.000 -1.652 12.688) 12.795 9.283 ( 0.000 -9.690 5.351) 11.069 9.443 ( 0.000 -1.789 -4.323) 4.678 9.521 ( 0.000 -1.579 -2.362) 2.841 9.720 ( 0.000 -10.968 14.037) 17.814 10.065 ( 0.000 -12.556 15.979) 20.322 10.312 ( -0.000 3.205 15.919) 16.238 10.646 ( -0.000 6.548 -12.464) 14.079 10.751 ( 0.000 -9.459 15.156) 17.865 10.751 ( -0.000 3.948 24.280) 24.599 11.007 ( 0.000 -10.641 -8.911) 13.879 11.220 ( -0.000 0.413 -21.828) 21.832 11.357 ( -0.000 1.352 -2.678) 3.000 11.499 ( 0.000 -4.879 12.262) 13.197 11.747 ( -0.000 15.059 -13.453) 20.192 12.011 ( -0.000 8.781 -14.129) 16.635 12.142 ( -0.000 2.781 -4.826) 5.570 12.377 ( -0.000 3.562 -15.203) 15.615 12.574 ( 0.000 -6.943 4.618) 8.339 13.220 ( -0.000 9.626 -11.625) 15.093 13.521 ( -0.000 10.148 2.228) 10.389 13.645 ( -0.000 5.001 -4.888) 6.993 13.760 ( -0.000 0.348 5.145) 5.156 13.802 ( -0.000 1.439 3.017) 3.342 14.237 ( -0.000 2.444 3.451) 4.229 14.477 ( -0.000 0.414 -4.412) 4.431 14.533 ( -0.000 1.537 17.273) 17.341 14.636 ( 0.000 -1.852 -0.664) 1.967 14.689 ( 0.000 -3.328 -2.696) 4.283 14.990 ( 0.000 -1.360 -0.143) 1.367 15.147 ( -0.000 0.342 -2.467) 2.491 15.269 ( -0.000 8.100 -3.005) 8.640 15.909 ( -0.000 1.043 7.243) 7.318 16.067 ( -0.000 2.399 -0.481) 2.447 19.842 ( -0.000 3.306 7.527) 8.221 19.973 ( 0.000 -1.986 3.228) 3.790 20.783 ( 0.000 -18.179 3.738) 18.559 21.243 ( 0.000 -2.738 -20.302) 20.486 23.043 ( 0.000 -1.055 1.630) 1.941 23.113 ( 0.000 -1.637 -1.532) 2.242 23.365 ( 0.000 -4.205 2.659) 4.975 23.456 ( -0.000 2.174 2.956) 3.670 23.524 ( 0.000 -8.728 -3.908) 9.563 23.589 ( -0.000 2.751 -2.970) 4.048 24.413 ( -0.000 0.595 1.757) 1.855 24.451 ( -0.000 0.435 -0.254) 0.504 24.649 ( 0.000 -1.847 5.275) 5.589 24.750 ( 0.000 -2.073 -0.513) 2.135 25.545 ( -0.000 7.508 15.081) 16.846 26.128 ( -0.000 7.394 -13.608) 15.487 ======================= Grid point 200 (70/100) ======================= q-point: (-0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.718 ( -5.014 -0.000 8.111) 9.536 3.721 ( -7.632 -0.000 9.734) 12.369 3.902 ( 9.517 0.000 1.111) 9.582 3.944 ( -0.532 -0.000 -7.274) 7.293 4.198 ( -14.408 -0.000 0.396) 14.413 4.284 ( 13.092 0.000 -10.253) 16.629 4.540 ( -4.471 -0.000 0.410) 4.490 4.623 ( 6.026 0.000 3.105) 6.779 4.748 ( 6.980 0.000 -6.052) 9.238 5.222 ( -13.275 -0.000 -6.202) 14.653 5.380 ( -1.328 -0.000 -3.976) 4.192 5.638 ( 0.021 0.000 8.465) 8.465 5.659 ( 0.836 0.000 -13.085) 13.111 5.943 ( -0.376 -0.000 -2.125) 2.158 6.212 ( 5.617 0.000 1.357) 5.778 6.390 ( 10.728 0.000 -10.640) 15.110 6.646 ( -5.214 -0.000 2.071) 5.610 6.784 ( 0.830 0.000 -7.276) 7.323 7.037 ( -15.487 -0.000 13.921) 20.824 7.283 ( -5.920 -0.000 3.030) 6.650 7.558 ( -6.877 -0.000 8.233) 10.727 7.633 ( -5.559 -0.000 6.521) 8.569 7.790 ( 0.401 0.000 -9.344) 9.353 7.921 ( 1.956 0.000 -15.729) 15.851 8.380 ( -11.548 -0.000 -1.092) 11.599 8.417 ( -5.637 -0.000 -1.842) 5.931 9.063 ( -5.437 -0.000 6.323) 8.339 9.131 ( -9.884 -0.000 11.510) 15.172 9.295 ( -1.586 -0.000 10.473) 10.592 9.362 ( -11.953 -0.000 2.730) 12.261 9.502 ( -6.432 -0.000 1.718) 6.657 9.676 ( -9.995 -0.000 8.737) 13.275 9.898 ( -16.994 -0.000 0.502) 17.002 10.057 ( -4.169 -0.000 2.303) 4.762 10.272 ( -3.906 -0.000 -8.342) 9.211 10.380 ( -3.300 -0.000 1.971) 3.844 10.549 ( 0.984 0.000 -0.998) 1.402 10.777 ( -2.415 -0.000 -4.564) 5.163 10.855 ( 5.073 0.000 1.006) 5.172 11.172 ( 2.417 0.000 -18.536) 18.693 11.476 ( 1.320 0.000 -0.498) 1.410 11.512 ( 10.520 0.000 0.824) 10.552 11.651 ( 15.485 0.000 -3.976) 15.987 11.730 ( 8.294 0.000 -15.306) 17.409 12.078 ( 2.615 0.000 12.378) 12.651 12.626 ( 20.465 0.000 15.241) 25.517 12.702 ( 20.146 0.000 -8.325) 21.798 12.783 ( -1.419 -0.000 -5.813) 5.984 12.985 ( -1.519 -0.000 -2.170) 2.649 13.311 ( 21.845 0.000 -2.447) 21.982 13.609 ( 0.852 0.000 8.557) 8.599 13.823 ( -0.301 -0.000 -2.205) 2.225 13.957 ( 0.039 0.000 -0.112) 0.119 14.107 ( 6.386 0.000 2.620) 6.903 14.299 ( -0.036 -0.000 -2.764) 2.764 14.441 ( 2.102 0.000 -2.532) 3.291 14.667 ( 5.516 0.000 4.967) 7.422 14.756 ( 0.339 0.000 2.567) 2.589 15.622 ( -7.164 -0.000 1.943) 7.423 15.711 ( -11.881 -0.000 -2.508) 12.143 16.311 ( -3.324 -0.000 7.493) 8.197 16.556 ( -6.375 -0.000 -3.716) 7.379 19.762 ( 0.365 0.000 3.413) 3.432 19.916 ( 3.733 0.000 -3.494) 5.113 20.069 ( -1.985 -0.000 10.919) 11.098 20.592 ( 11.856 0.000 -12.342) 17.114 23.153 ( 1.444 0.000 3.019) 3.346 23.303 ( -0.269 -0.000 -3.648) 3.658 23.343 ( 0.162 0.000 2.260) 2.266 23.485 ( -7.668 -0.000 -4.560) 8.921 23.786 ( -7.110 -0.000 2.746) 7.622 23.884 ( -8.965 -0.000 -1.854) 9.154 24.544 ( -3.609 -0.000 5.542) 6.614 24.586 ( -1.406 -0.000 -0.487) 1.488 24.646 ( -0.839 -0.000 1.362) 1.600 24.863 ( -6.295 -0.000 -5.526) 8.376 25.573 ( 4.665 0.000 9.459) 10.547 25.899 ( 11.364 0.000 -6.243) 12.966 ======================= Grid point 202 (71/100) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( -9.384 16.359 15.151) 24.192 3.570 ( -7.859 11.956 9.649) 17.257 3.862 ( -8.135 -3.573 0.848) 8.925 3.975 ( -7.323 -13.015 4.142) 15.498 4.029 ( -3.983 0.871 -8.757) 9.659 4.285 ( -6.242 5.114 -6.318) 10.249 4.415 ( -8.780 -6.244 -4.875) 11.826 4.823 ( 7.519 -1.637 -3.049) 8.278 4.860 ( 3.085 -0.882 -5.464) 6.337 5.017 ( -5.346 0.457 -15.043) 15.971 5.475 ( 8.948 -1.078 -1.161) 9.087 5.633 ( -0.581 -3.764 7.905) 8.775 5.813 ( 9.821 4.730 -12.286) 16.425 5.915 ( 0.653 -2.816 -6.343) 6.970 6.283 ( 1.171 12.386 7.821) 14.695 6.442 ( 2.368 0.404 1.882) 3.051 6.606 ( -5.064 -5.181 2.005) 7.517 6.691 ( -7.462 5.723 13.801) 16.701 6.867 ( 0.267 -9.199 -5.624) 10.786 7.177 ( -3.705 3.364 -3.807) 6.288 7.395 ( -11.456 -1.999 7.533) 13.856 7.480 ( -3.611 8.666 0.699) 9.414 7.825 ( -1.147 1.466 -6.544) 6.803 7.962 ( 3.366 -7.745 -12.430) 15.027 8.338 ( 2.651 1.791 -4.690) 5.677 8.399 ( 1.972 -2.225 -7.297) 7.880 8.870 ( -12.913 5.063 7.702) 15.865 8.965 ( -6.698 0.944 7.533) 10.124 9.098 ( -18.327 -10.385 10.882) 23.710 9.258 ( -3.470 0.035 4.622) 5.780 9.361 ( -12.430 -2.855 6.586) 14.354 9.481 ( -11.127 -3.846 2.673) 12.072 9.666 ( -9.863 -10.422 -4.999) 15.195 9.873 ( -11.590 1.608 -10.432) 15.676 10.252 ( -4.790 -0.241 15.684) 16.401 10.390 ( 11.772 -1.198 7.355) 13.932 10.674 ( 3.363 -0.220 13.643) 14.053 10.713 ( -1.529 -0.419 -12.867) 12.964 10.950 ( 2.880 -0.880 3.621) 4.710 11.206 ( 1.990 0.592 -17.891) 18.011 11.461 ( -1.239 1.599 -2.189) 2.980 11.599 ( 5.206 7.163 4.084) 9.751 11.861 ( 11.938 4.877 -11.364) 17.188 11.980 ( 10.507 -2.779 -15.300) 18.767 12.144 ( 4.613 -0.815 13.973) 14.738 12.667 ( -6.739 1.811 -5.627) 8.965 12.725 ( -6.412 5.826 -9.009) 12.499 13.064 ( 13.317 -5.277 -13.509) 19.689 13.160 ( 19.411 0.048 16.231) 25.303 13.663 ( 18.058 10.819 -4.499) 21.526 13.683 ( 4.931 -1.742 6.725) 8.520 13.872 ( 3.854 -5.123 -1.709) 6.635 14.000 ( 5.429 -0.123 6.025) 8.111 14.242 ( 9.608 3.551 4.993) 11.395 14.313 ( 2.726 -0.391 -3.704) 4.615 14.463 ( 2.987 3.709 -2.853) 5.552 14.731 ( 2.219 -0.073 4.522) 5.038 14.841 ( 2.644 -7.154 1.040) 7.698 15.453 ( -11.232 2.904 1.171) 11.660 15.553 ( -5.966 -4.241 -1.989) 7.585 16.196 ( -7.863 1.493 7.201) 10.766 16.396 ( -9.318 1.943 -2.198) 9.769 19.790 ( 1.145 -2.514 5.186) 5.876 19.972 ( 1.448 1.557 0.375) 2.159 20.083 ( 2.479 -5.103 10.545) 11.974 20.831 ( 14.916 1.909 -19.024) 24.250 23.180 ( 0.678 -0.822 1.984) 2.252 23.275 ( -5.005 -0.387 -1.515) 5.243 23.313 ( -4.563 -0.311 -1.913) 4.958 23.336 ( -5.061 0.043 -3.261) 6.021 23.660 ( -5.799 0.505 2.332) 6.271 23.737 ( -7.228 -1.980 -1.026) 7.564 24.477 ( -2.503 0.885 4.732) 5.426 24.557 ( -1.259 1.101 -0.491) 1.743 24.658 ( 0.481 -1.208 0.536) 1.407 24.751 ( -5.997 -1.261 -2.590) 6.653 25.648 ( 4.231 1.881 12.627) 13.449 26.080 ( 8.878 1.312 -8.169) 12.136 ======================= Grid point 203 (72/100) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -7.423 23.464 18.413) 30.736 3.215 ( -9.572 22.528 17.158) 29.893 3.767 ( -3.941 2.526 -9.297) 10.409 3.894 ( -7.647 3.435 -14.922) 17.115 3.990 ( -2.813 -11.174 5.322) 12.692 4.179 ( -6.769 -6.777 -3.808) 10.307 4.307 ( -5.575 -3.926 -4.064) 7.938 4.861 ( 0.081 5.025 -1.160) 5.158 4.926 ( 0.561 -4.369 -1.147) 4.551 5.012 ( 0.818 -5.906 -18.551) 19.486 5.586 ( 2.296 -0.551 -0.322) 2.383 5.653 ( -6.148 -2.887 -1.127) 6.885 5.775 ( -0.606 -1.742 3.572) 4.020 6.053 ( 2.773 17.320 5.027) 18.247 6.164 ( 10.499 5.291 -3.200) 12.185 6.436 ( -1.958 7.722 -10.328) 13.043 6.571 ( 3.149 3.531 15.335) 16.049 6.698 ( 2.354 -7.484 9.293) 12.162 6.970 ( 1.082 0.387 -4.156) 4.312 7.085 ( -4.410 -4.211 -4.737) 7.721 7.235 ( -5.971 -1.664 2.479) 6.676 7.378 ( 2.704 11.042 -9.554) 14.850 7.834 ( 5.105 -3.598 1.475) 6.417 8.122 ( 1.911 -6.812 -8.411) 10.991 8.300 ( -5.339 1.328 -2.608) 6.089 8.327 ( -11.647 -2.549 -4.695) 12.814 8.727 ( 0.942 2.523 -1.459) 3.063 8.844 ( -9.110 -7.458 -0.857) 11.805 9.007 ( 2.569 -9.616 15.787) 18.663 9.125 ( -10.106 -1.431 8.753) 13.446 9.272 ( -5.502 -11.735 3.777) 13.500 9.322 ( -10.276 -5.136 3.388) 11.977 9.664 ( -8.474 0.382 -10.072) 13.168 9.699 ( -3.623 -15.172 -2.968) 15.878 10.261 ( 4.668 -1.344 17.179) 17.853 10.568 ( -9.086 -2.534 10.439) 14.070 10.638 ( 12.645 -1.032 9.137) 15.635 10.798 ( 4.396 1.250 -3.751) 5.913 10.951 ( -2.706 0.861 4.193) 5.064 11.234 ( 2.003 1.696 -16.157) 16.368 11.418 ( -1.802 0.662 -3.174) 3.710 11.601 ( 4.111 10.209 8.190) 13.718 11.994 ( 8.752 5.846 -9.674) 14.296 12.115 ( 4.730 3.004 -15.272) 16.268 12.241 ( 3.240 -0.529 2.254) 3.982 12.508 ( -9.335 3.236 -3.589) 10.511 12.530 ( -6.537 0.113 -9.871) 11.840 13.256 ( 4.754 -2.088 -15.352) 16.207 13.501 ( 16.291 2.324 11.069) 19.833 13.768 ( 2.873 -0.136 4.533) 5.368 13.783 ( 6.896 7.094 1.391) 9.990 13.969 ( 4.899 6.635 -1.465) 8.377 14.150 ( 7.611 -1.508 8.679) 11.641 14.388 ( 2.153 -2.692 -2.007) 3.989 14.391 ( 11.530 4.378 4.494) 13.127 14.523 ( 7.014 2.162 -4.991) 8.876 14.737 ( -5.609 -4.817 2.722) 7.878 14.955 ( 1.576 -7.436 -2.049) 7.873 15.210 ( -10.799 2.659 5.602) 12.453 15.511 ( -0.509 2.724 -4.249) 5.073 16.024 ( -7.946 1.575 7.480) 11.026 16.209 ( -7.617 2.192 -1.468) 8.061 19.844 ( 0.931 -4.053 6.519) 7.732 19.952 ( 0.115 3.801 7.345) 8.271 20.239 ( 3.663 -12.575 6.287) 14.528 21.082 ( 13.204 1.561 -25.235) 28.523 23.119 ( -8.582 -0.690 0.241) 8.613 23.141 ( -6.551 -0.441 -0.819) 6.617 23.262 ( 0.492 -1.346 -0.819) 1.651 23.330 ( 0.235 -3.078 -2.875) 4.219 23.565 ( -4.968 -0.076 2.304) 5.477 23.665 ( -1.649 0.550 -1.647) 2.395 24.436 ( -1.320 0.387 3.313) 3.588 24.515 ( -1.618 1.806 -0.868) 2.576 24.654 ( -1.688 0.194 2.509) 3.031 24.701 ( -0.922 -2.099 0.101) 2.294 25.686 ( 2.580 3.437 14.266) 14.899 26.195 ( 5.254 1.970 -10.032) 11.494 ======================= Grid point 204 (73/100) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -0.000 24.213 22.739) 33.217 2.862 ( -0.000 26.821 20.863) 33.980 3.705 ( -0.000 11.696 -23.184) 25.967 3.712 ( -0.000 4.437 -17.386) 17.943 4.063 ( -0.000 2.081 14.495) 14.644 4.168 ( 0.000 -10.466 0.337) 10.472 4.296 ( 0.000 -3.299 -5.922) 6.779 4.803 ( -0.000 3.869 4.375) 5.840 4.979 ( 0.000 -5.837 -3.622) 6.870 5.109 ( 0.000 -9.376 -18.144) 20.423 5.583 ( -0.000 1.063 -1.568) 1.894 5.628 ( 0.000 -5.971 -3.010) 6.686 5.785 ( 0.000 -0.117 9.199) 9.200 5.920 ( -0.000 12.296 4.914) 13.242 6.138 ( -0.000 20.360 -1.991) 20.457 6.387 ( -0.000 5.516 -19.214) 19.990 6.532 ( -0.000 8.456 11.296) 14.110 6.801 ( 0.000 -10.789 10.726) 15.213 6.898 ( -0.000 8.432 -0.184) 8.434 7.165 ( 0.000 -15.181 -6.904) 16.677 7.198 ( -0.000 0.815 -5.114) 5.179 7.321 ( -0.000 6.621 -7.547) 10.040 8.054 ( 0.000 -5.244 -1.710) 5.516 8.075 ( 0.000 -4.203 6.127) 7.430 8.218 ( 0.000 -5.977 0.835) 6.035 8.306 ( 0.000 -8.983 -5.516) 10.542 8.709 ( -0.000 2.941 -6.539) 7.170 8.839 ( 0.000 -5.620 -4.765) 7.368 9.044 ( 0.000 -3.328 12.615) 13.047 9.170 ( 0.000 -2.423 4.338) 4.969 9.314 ( 0.000 -8.296 -2.469) 8.655 9.326 ( 0.000 -24.639 17.251) 30.078 9.555 ( -0.000 2.595 -7.373) 7.817 9.818 ( 0.000 -14.280 4.494) 14.970 10.366 ( -0.000 2.038 14.341) 14.485 10.484 ( 0.000 -9.627 9.428) 13.474 10.818 ( -0.000 0.188 -3.910) 3.915 10.828 ( -0.000 3.343 26.493) 26.703 10.857 ( 0.000 -0.600 -11.133) 11.150 11.239 ( -0.000 1.555 -19.282) 19.344 11.395 ( -0.000 0.171 -2.859) 2.865 11.541 ( -0.000 9.440 11.948) 15.227 12.011 ( -0.000 11.058 -12.816) 16.927 12.162 ( -0.000 5.986 -16.774) 17.810 12.184 ( -0.000 1.447 -4.362) 4.595 12.437 ( -0.000 2.391 -16.089) 16.266 12.455 ( 0.000 -4.756 9.673) 10.779 13.304 ( -0.000 0.471 -15.418) 15.426 13.647 ( -0.000 3.255 7.926) 8.568 13.771 ( -0.000 0.647 5.416) 5.454 13.830 ( -0.000 1.265 2.054) 2.412 13.887 ( -0.000 15.936 -2.567) 16.141 14.241 ( 0.000 -0.920 8.155) 8.207 14.453 ( 0.000 -3.363 -0.627) 3.421 14.565 ( -0.000 2.628 8.083) 8.499 14.598 ( 0.000 -2.060 -0.613) 2.149 14.626 ( 0.000 -2.643 -2.422) 3.584 14.982 ( 0.000 -1.946 -8.201) 8.429 15.108 ( 0.000 -0.940 8.467) 8.519 15.452 ( -0.000 8.314 -4.726) 9.563 15.929 ( -0.000 0.880 7.908) 7.957 16.113 ( -0.000 2.038 -1.097) 2.314 19.895 ( 0.000 -3.718 7.383) 8.266 19.915 ( -0.000 2.873 7.803) 8.316 20.427 ( 0.000 -16.822 5.372) 17.659 21.218 ( 0.000 -0.174 -27.759) 27.760 23.024 ( 0.000 -0.771 1.426) 1.621 23.085 ( 0.000 -1.177 -1.292) 1.747 23.295 ( 0.000 -2.754 0.515) 2.801 23.382 ( 0.000 -5.505 -2.805) 6.179 23.496 ( -0.000 1.758 3.176) 3.630 23.639 ( -0.000 2.162 -3.191) 3.854 24.421 ( -0.000 0.275 2.364) 2.380 24.478 ( -0.000 1.879 -0.310) 1.905 24.634 ( -0.000 0.016 4.477) 4.477 24.713 ( 0.000 -1.624 -0.125) 1.629 25.670 ( -0.000 4.907 15.005) 15.787 26.223 ( -0.000 2.862 -11.433) 11.786 ======================= Grid point 211 (74/100) ======================= q-point: (-0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.429 ( -6.040 -0.000 14.137) 15.373 3.601 ( 0.002 0.000 6.319) 6.319 3.633 ( -10.180 -0.000 26.521) 28.408 3.737 ( -6.173 -0.000 -6.306) 8.824 3.952 ( -4.533 -0.000 -12.538) 13.332 4.138 ( -11.988 -0.000 -6.835) 13.799 4.253 ( -2.598 -0.000 -8.720) 9.099 4.880 ( 1.413 0.000 -2.025) 2.469 4.892 ( -0.216 -0.000 -17.931) 17.932 4.957 ( -0.654 -0.000 -10.415) 10.436 5.550 ( -4.690 -0.000 3.023) 5.580 5.639 ( -0.214 -0.000 -2.061) 2.073 5.762 ( 0.673 0.000 2.295) 2.391 6.204 ( 13.999 0.000 -5.831) 15.165 6.327 ( 2.757 0.000 0.539) 2.809 6.470 ( 0.681 0.000 3.152) 3.224 6.612 ( 1.119 0.000 18.647) 18.681 6.627 ( 5.712 0.000 7.413) 9.358 6.886 ( 0.493 0.000 -6.774) 6.792 7.111 ( -6.526 -0.000 -5.593) 8.595 7.209 ( -6.569 -0.000 8.636) 10.851 7.549 ( 8.121 0.000 -5.262) 9.677 7.900 ( 0.715 0.000 -6.123) 6.164 7.915 ( 4.092 0.000 -9.192) 10.061 8.303 ( -15.617 -0.000 -7.171) 17.185 8.333 ( -8.052 -0.000 -4.204) 9.084 8.733 ( -5.294 -0.000 7.008) 8.782 8.755 ( -0.542 -0.000 4.636) 4.668 8.908 ( -1.728 -0.000 7.943) 8.128 9.117 ( -10.722 -0.000 7.980) 13.366 9.190 ( -5.529 -0.000 1.522) 5.734 9.261 ( -8.712 -0.000 3.828) 9.516 9.480 ( -3.677 -0.000 -9.787) 10.455 9.686 ( -8.665 -0.000 -10.510) 13.622 10.248 ( 4.204 0.000 19.805) 20.246 10.547 ( -8.990 -0.000 11.790) 14.827 10.629 ( 13.299 0.000 7.532) 15.284 10.812 ( 4.549 0.000 -4.244) 6.221 10.957 ( -2.479 -0.000 6.077) 6.563 11.252 ( 2.272 0.000 -14.299) 14.478 11.427 ( -2.423 -0.000 -2.251) 3.307 11.723 ( 3.972 0.000 5.169) 6.519 12.047 ( 8.006 0.000 -5.717) 9.838 12.147 ( 6.699 0.000 -19.977) 21.071 12.221 ( 3.236 0.000 10.336) 10.831 12.533 ( -6.250 -0.000 -13.386) 14.773 12.548 ( -12.133 -0.000 -6.791) 13.904 13.226 ( 6.293 0.000 -18.411) 19.457 13.531 ( 16.317 0.000 17.774) 24.127 13.754 ( 3.159 0.000 5.270) 6.145 13.851 ( 0.546 0.000 1.145) 1.268 14.062 ( 13.160 0.000 -3.527) 13.625 14.133 ( 8.072 0.000 9.004) 12.093 14.338 ( 1.615 0.000 -0.034) 1.616 14.452 ( 9.496 0.000 0.106) 9.496 14.557 ( 4.858 0.000 -6.005) 7.724 14.690 ( -5.561 -0.000 1.735) 5.825 14.859 ( 2.911 0.000 0.924) 3.054 15.236 ( -10.994 -0.000 5.198) 12.161 15.542 ( 3.030 0.000 -3.848) 4.898 16.040 ( -8.716 -0.000 7.661) 11.604 16.231 ( -8.309 -0.000 -1.586) 8.459 19.801 ( 1.092 0.000 6.202) 6.297 20.027 ( 1.743 0.000 -4.681) 4.995 20.073 ( 1.071 0.000 19.568) 19.597 21.099 ( 12.044 0.000 -26.313) 28.938 23.110 ( -8.217 -0.000 0.398) 8.227 23.135 ( -6.876 -0.000 -0.779) 6.920 23.251 ( -0.097 -0.000 -1.894) 1.897 23.299 ( -0.420 -0.000 -2.709) 2.742 23.566 ( -4.154 -0.000 2.710) 4.960 23.672 ( -0.457 -0.000 -1.634) 1.696 24.441 ( -1.548 -0.000 3.816) 4.118 24.534 ( -1.821 -0.000 -1.232) 2.199 24.662 ( -2.737 -0.000 2.012) 3.398 24.674 ( 1.134 0.000 0.593) 1.280 25.719 ( 2.428 0.000 14.050) 14.258 26.214 ( 4.885 0.000 -9.484) 10.668 ======================= Grid point 213 (75/100) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( -0.000 19.703 14.622) 24.536 3.364 ( -0.000 23.444 20.148) 30.912 3.678 ( 0.000 -9.276 1.237) 9.358 3.830 ( 0.000 -17.971 3.340) 18.279 3.882 ( -0.000 4.306 -13.322) 14.001 4.018 ( 0.000 -2.591 -5.118) 5.736 4.239 ( 0.000 -1.975 -10.320) 10.508 4.885 ( 0.000 -0.939 -14.014) 14.045 4.909 ( 0.000 -0.735 -2.696) 2.795 4.960 ( 0.000 -2.685 -10.653) 10.986 5.513 ( 0.000 -3.824 0.964) 3.944 5.582 ( 0.000 -0.519 -3.724) 3.760 5.811 ( -0.000 1.399 9.211) 9.316 6.200 ( -0.000 11.129 12.533) 16.761 6.430 ( -0.000 8.416 1.990) 8.648 6.475 ( -0.000 2.726 -21.273) 21.447 6.645 ( -0.000 2.801 15.259) 15.514 6.675 ( 0.000 -2.287 7.541) 7.880 6.915 ( 0.000 -8.151 -6.006) 10.125 7.004 ( -0.000 1.778 -1.470) 2.307 7.176 ( 0.000 -1.881 8.358) 8.567 7.595 ( -0.000 17.979 -12.589) 21.948 7.970 ( 0.000 -4.097 8.301) 9.257 7.984 ( 0.000 -2.113 -8.188) 8.456 8.086 ( 0.000 -12.697 -10.239) 16.311 8.195 ( -0.000 0.971 -1.743) 1.995 8.733 ( 0.000 -3.235 2.023) 3.815 8.799 ( -0.000 1.796 -8.095) 8.291 8.931 ( 0.000 -9.675 14.169) 17.157 9.006 ( 0.000 -0.540 9.808) 9.823 9.137 ( 0.000 -1.781 2.278) 2.891 9.185 ( 0.000 -3.288 3.809) 5.032 9.517 ( 0.000 -12.396 -8.825) 15.217 9.593 ( -0.000 1.055 -8.907) 8.969 10.371 ( 0.000 -2.406 18.519) 18.675 10.391 ( -0.000 0.577 13.180) 13.193 10.810 ( -0.000 0.769 -7.297) 7.338 10.861 ( 0.000 -0.806 -4.884) 4.950 10.871 ( -0.000 1.016 23.819) 23.840 11.270 ( -0.000 1.081 -13.832) 13.874 11.399 ( -0.000 0.259 -3.336) 3.346 11.729 ( -0.000 6.727 7.261) 9.898 12.161 ( -0.000 3.842 -4.661) 6.041 12.202 ( -0.000 0.489 -11.299) 11.309 12.218 ( 0.000 -0.171 -9.162) 9.163 12.407 ( 0.000 -0.191 3.753) 3.758 12.469 ( -0.000 0.854 -17.665) 17.686 13.287 ( 0.000 -1.121 -19.121) 19.154 13.692 ( -0.000 1.256 17.016) 17.063 13.782 ( -0.000 0.377 5.403) 5.416 13.847 ( -0.000 0.428 1.469) 1.530 14.143 ( -0.000 7.994 -1.716) 8.176 14.228 ( -0.000 0.242 9.428) 9.432 14.378 ( 0.000 -3.476 -0.444) 3.504 14.562 ( 0.000 -1.155 -0.012) 1.155 14.594 ( 0.000 -0.743 -2.590) 2.694 14.624 ( -0.000 2.611 -3.381) 4.272 14.901 ( 0.000 -4.105 -6.372) 7.580 15.122 ( -0.000 0.960 12.395) 12.433 15.568 ( -0.000 3.089 -5.023) 5.897 15.941 ( -0.000 0.337 8.321) 8.328 16.142 ( -0.000 0.789 -1.489) 1.685 19.823 ( 0.000 -2.203 6.665) 7.019 19.999 ( -0.000 5.090 5.800) 7.717 20.155 ( 0.000 -10.284 10.401) 14.626 21.221 ( -0.000 0.203 -29.939) 29.939 23.014 ( 0.000 -0.274 1.315) 1.343 23.069 ( 0.000 -0.417 -1.159) 1.231 23.261 ( 0.000 -0.732 -1.044) 1.275 23.308 ( 0.000 -2.016 -2.358) 3.103 23.521 ( -0.000 0.665 3.298) 3.365 23.669 ( -0.000 0.807 -3.311) 3.408 24.425 ( -0.000 0.146 3.150) 3.153 24.508 ( -0.000 0.884 -0.979) 1.319 24.638 ( -0.000 0.200 4.003) 4.008 24.689 ( 0.000 -0.693 0.589) 0.910 25.734 ( -0.000 1.643 14.559) 14.651 26.256 ( -0.000 0.716 -10.181) 10.206 ======================= Grid point 255 (76/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 0.000 0.000 -37.254) 37.254 2.340 ( 0.000 0.000 37.254) 37.254 2.697 ( 0.000 0.000 -39.760) 39.760 2.697 ( 0.000 0.000 39.760) 39.760 3.868 ( 0.000 0.000 -50.806) 50.806 3.868 ( 0.000 0.000 50.806) 50.806 4.404 ( 0.000 0.000 -2.707) 2.707 4.404 ( 0.000 0.000 2.707) 2.707 5.227 ( 0.000 0.000 -4.357) 4.357 5.227 ( 0.000 0.000 4.357) 4.357 5.481 ( 0.000 0.000 -2.605) 2.605 5.481 ( 0.000 0.000 2.605) 2.605 5.842 ( 0.000 0.000 -10.264) 10.264 5.842 ( 0.000 0.000 10.264) 10.264 6.146 ( 0.000 0.000 -6.353) 6.353 6.146 ( 0.000 0.000 6.353) 6.353 6.168 ( 0.000 0.000 -14.522) 14.522 6.168 ( 0.000 0.000 14.522) 14.522 7.139 ( 0.000 0.000 -5.086) 5.086 7.139 ( 0.000 0.000 5.086) 5.086 7.578 ( 0.000 0.000 -7.144) 7.144 7.578 ( 0.000 0.000 7.144) 7.144 8.237 ( 0.000 0.000 -7.254) 7.254 8.237 ( 0.000 0.000 7.254) 7.254 8.526 ( 0.000 0.000 -0.379) 0.379 8.526 ( 0.000 0.000 0.379) 0.379 9.127 ( 0.000 0.000 -4.797) 4.797 9.127 ( 0.000 0.000 4.797) 4.797 9.260 ( 0.000 0.000 -7.467) 7.467 9.260 ( 0.000 0.000 7.467) 7.467 9.704 ( 0.000 0.000 -5.032) 5.032 9.704 ( 0.000 0.000 5.032) 5.032 9.978 ( 0.000 0.000 -9.698) 9.698 9.978 ( 0.000 0.000 9.698) 9.698 10.694 ( 0.000 0.000 -26.758) 26.758 10.694 ( 0.000 0.000 26.758) 26.758 11.030 ( 0.000 0.000 -8.672) 8.672 11.030 ( 0.000 0.000 8.672) 8.672 11.103 ( 0.000 0.000 -1.657) 1.657 11.103 ( 0.000 0.000 1.657) 1.657 11.266 ( 0.000 0.000 -16.437) 16.437 11.266 ( 0.000 0.000 16.437) 16.437 11.774 ( 0.000 0.000 -5.407) 5.407 11.774 ( 0.000 0.000 5.407) 5.407 12.046 ( 0.000 0.000 -5.872) 5.872 12.046 ( 0.000 0.000 5.872) 5.872 12.768 ( 0.000 0.000 -6.824) 6.824 12.768 ( 0.000 0.000 6.824) 6.824 13.365 ( 0.000 0.000 -7.998) 7.998 13.365 ( 0.000 0.000 7.998) 7.998 13.809 ( 0.000 0.000 -0.485) 0.485 13.809 ( 0.000 0.000 0.485) 0.485 14.154 ( 0.000 0.000 -8.394) 8.394 14.154 ( 0.000 0.000 8.394) 8.394 14.705 ( 0.000 0.000 -2.463) 2.463 14.705 ( 0.000 0.000 2.463) 2.463 14.748 ( 0.000 0.000 -5.249) 5.249 14.748 ( 0.000 0.000 5.249) 5.249 15.210 ( 0.000 0.000 -1.608) 1.608 15.210 ( 0.000 0.000 1.608) 1.608 15.983 ( 0.000 0.000 -3.116) 3.116 15.983 ( 0.000 0.000 3.116) 3.116 19.853 ( 0.000 0.000 -3.898) 3.898 19.853 ( 0.000 0.000 3.898) 3.898 21.301 ( 0.000 0.000 -4.157) 4.157 21.301 ( 0.000 0.000 4.157) 4.157 23.115 ( 0.000 0.000 -2.260) 2.260 23.115 ( 0.000 0.000 2.260) 2.260 23.459 ( 0.000 0.000 -2.990) 2.990 23.459 ( 0.000 0.000 2.990) 2.990 23.621 ( 0.000 0.000 -7.683) 7.683 23.621 ( 0.000 0.000 7.683) 7.683 24.445 ( 0.000 0.000 -1.031) 1.031 24.445 ( 0.000 0.000 1.031) 1.031 24.843 ( 0.000 0.000 -3.020) 3.020 24.843 ( 0.000 0.000 3.020) 3.020 25.531 ( 0.000 0.000 -8.237) 8.237 25.531 ( 0.000 0.000 8.237) 8.237 ======================= Grid point 257 (77/100) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 7.252 -8.138 -32.775) 34.540 2.448 ( 7.252 -8.138 32.775) 34.540 2.772 ( 5.911 -5.643 -37.616) 38.493 2.772 ( 5.911 -5.643 37.616) 38.493 4.096 ( 18.567 -7.565 -43.923) 48.282 4.096 ( 18.567 -7.565 43.923) 48.282 4.371 ( -2.873 0.489 -2.496) 3.837 4.371 ( -2.873 0.489 2.496) 3.837 5.188 ( -3.032 2.456 -2.851) 4.833 5.188 ( -3.032 2.456 2.851) 4.833 5.490 ( 0.035 0.139 -1.512) 1.519 5.490 ( 0.035 0.139 1.512) 1.519 5.845 ( 2.249 2.921 -8.637) 9.391 5.845 ( 2.249 2.921 8.637) 9.391 6.170 ( 1.306 -2.151 -9.798) 10.116 6.170 ( 1.306 -2.151 9.798) 10.116 6.307 ( 13.066 -2.972 -6.137) 14.738 6.307 ( 13.066 -2.972 6.137) 14.738 7.028 ( -10.584 0.151 -5.799) 12.070 7.028 ( -10.584 0.151 5.799) 12.070 7.537 ( -1.913 2.632 -6.273) 7.066 7.537 ( -1.913 2.632 6.273) 7.066 8.312 ( 5.575 -0.440 -3.976) 6.861 8.312 ( 5.575 -0.440 3.976) 6.861 8.555 ( 3.416 5.964 -2.937) 7.474 8.555 ( 3.416 5.964 2.937) 7.474 8.979 ( -5.723 0.316 -1.102) 5.837 8.979 ( -5.723 0.316 1.102) 5.837 9.397 ( 8.121 3.271 -4.378) 9.789 9.397 ( 8.121 3.271 4.378) 9.789 9.719 ( 4.608 6.251 -7.100) 10.522 9.719 ( 4.608 6.251 7.100) 10.522 9.991 ( -0.263 -6.926 -10.069) 12.224 9.991 ( -0.263 -6.926 10.069) 12.224 10.651 ( -4.813 -1.058 -24.781) 25.266 10.651 ( -4.813 -1.058 24.781) 25.266 10.981 ( -4.953 -0.331 -8.189) 9.576 10.981 ( -4.953 -0.331 8.189) 9.576 11.135 ( 3.235 1.278 -2.619) 4.354 11.135 ( 3.235 1.278 2.619) 4.354 11.222 ( -1.031 6.470 -9.230) 11.319 11.222 ( -1.031 6.470 9.230) 11.319 11.713 ( -5.627 1.001 -0.615) 5.748 11.713 ( -5.627 1.001 0.615) 5.748 12.054 ( -0.531 -3.402 -6.758) 7.585 12.054 ( -0.531 -3.402 6.758) 7.585 12.689 ( -9.970 -4.046 -7.982) 13.397 12.689 ( -9.970 -4.046 7.982) 13.397 13.281 ( -7.088 -2.053 -1.838) 7.605 13.281 ( -7.088 -2.053 1.838) 7.605 13.858 ( 3.447 0.415 -0.207) 3.478 13.858 ( 3.447 0.415 0.207) 3.478 14.175 ( -1.575 -3.725 -7.096) 8.168 14.175 ( -1.575 -3.725 7.096) 8.168 14.340 ( -15.364 -0.303 -2.755) 15.612 14.340 ( -15.364 -0.303 2.755) 15.612 15.112 ( 3.943 0.153 -7.157) 8.173 15.112 ( 3.943 0.153 7.157) 8.173 15.308 ( 21.801 1.592 -4.216) 22.262 15.308 ( 21.801 1.592 4.216) 22.262 16.003 ( 1.615 -1.107 -3.467) 3.981 16.003 ( 1.615 -1.107 3.467) 3.981 19.857 ( -0.662 -2.195 -3.901) 4.525 19.857 ( -0.662 -2.195 3.901) 4.525 21.098 ( -16.422 5.156 -0.929) 17.237 21.098 ( -16.422 5.156 0.929) 17.237 23.135 ( 1.025 -0.049 -1.390) 1.727 23.135 ( 1.025 -0.049 1.390) 1.727 23.418 ( -0.494 -0.003 -2.838) 2.881 23.418 ( -0.494 -0.003 2.838) 2.881 23.766 ( 11.909 2.946 -5.434) 13.418 23.766 ( 11.909 2.946 5.434) 13.418 24.468 ( 2.824 1.055 -0.694) 3.093 24.468 ( 2.824 1.055 0.694) 3.093 24.838 ( 1.559 3.039 -2.984) 4.536 24.838 ( 1.559 3.039 2.984) 4.536 25.524 ( -4.441 -6.897 -9.963) 12.906 25.524 ( -4.441 -6.897 9.963) 12.906 ======================= Grid point 259 (78/100) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 14.646 -13.602 -21.692) 29.497 2.761 ( 14.646 -13.602 21.692) 29.497 3.031 ( 11.609 -13.112 -29.473) 34.284 3.031 ( 11.609 -13.112 29.473) 34.284 4.291 ( -4.490 -0.275 -2.132) 4.979 4.291 ( -4.490 -0.275 2.132) 4.979 4.610 ( 25.147 -7.896 -28.841) 39.071 4.610 ( 25.147 -7.896 28.841) 39.071 5.066 ( -6.211 4.272 -1.063) 7.613 5.066 ( -6.211 4.272 1.063) 7.613 5.446 ( -2.002 5.035 -5.023) 7.389 5.446 ( -2.002 5.035 5.023) 7.389 5.861 ( 1.151 3.040 -8.228) 8.847 5.861 ( 1.151 3.040 8.228) 8.847 6.237 ( 1.167 -5.550 -9.588) 11.140 6.237 ( 1.167 -5.550 9.588) 11.140 6.637 ( 16.325 -0.850 -5.575) 17.271 6.637 ( 16.325 -0.850 5.575) 17.271 6.843 ( -6.945 -5.611 -2.682) 9.322 6.843 ( -6.945 -5.611 2.682) 9.322 7.481 ( 0.180 5.104 -4.043) 6.514 7.481 ( 0.180 5.104 4.043) 6.514 8.343 ( -4.205 6.073 -4.225) 8.510 8.343 ( -4.205 6.073 4.225) 8.510 8.479 ( 4.327 10.473 -5.345) 12.529 8.479 ( 4.327 10.473 5.345) 12.529 9.051 ( 6.777 -7.565 -8.945) 13.534 9.051 ( 6.777 -7.565 8.945) 13.534 9.423 ( 2.025 8.174 -7.073) 10.997 9.423 ( 2.025 8.174 7.073) 10.997 9.748 ( 5.578 6.552 -10.672) 13.709 9.748 ( 5.578 6.552 10.672) 13.709 10.137 ( 5.909 -8.005 -3.766) 10.638 10.137 ( 5.909 -8.005 3.766) 10.638 10.561 ( -5.529 -1.335 -20.617) 21.388 10.561 ( -5.529 -1.335 20.617) 21.388 10.858 ( -5.048 5.779 -15.991) 17.737 10.858 ( -5.048 5.779 15.991) 17.737 11.110 ( -5.440 1.693 -5.578) 7.973 11.110 ( -5.440 1.693 5.578) 7.973 11.181 ( 2.790 2.922 -11.749) 12.425 11.181 ( 2.790 2.922 11.749) 12.425 11.589 ( -5.141 1.706 -7.742) 9.449 11.589 ( -5.141 1.706 7.742) 9.449 12.088 ( -1.920 -7.245 -6.443) 9.884 12.088 ( -1.920 -7.245 6.443) 9.884 12.531 ( -13.232 -10.031 -10.679) 19.742 12.531 ( -13.232 -10.031 10.679) 19.742 13.193 ( -5.560 -3.307 -4.123) 7.671 13.193 ( -5.560 -3.307 4.123) 7.671 13.897 ( 1.944 1.493 -1.178) 2.719 13.897 ( 1.944 1.493 1.178) 2.719 14.051 ( -8.965 0.955 -1.410) 9.125 14.051 ( -8.965 0.955 1.410) 9.125 14.242 ( -2.391 -2.859 -9.058) 9.794 14.242 ( -2.391 -2.859 9.058) 9.794 15.049 ( -5.146 2.247 -3.954) 6.867 15.049 ( -5.146 2.247 3.954) 6.867 15.733 ( 22.103 4.095 -9.668) 24.470 15.733 ( 22.103 4.095 9.668) 24.470 16.065 ( 2.594 -3.742 -3.824) 5.946 16.065 ( 2.594 -3.742 3.824) 5.946 19.874 ( -0.794 -4.100 -3.908) 5.720 19.874 ( -0.794 -4.100 3.908) 5.720 20.710 ( -17.127 6.928 -2.093) 18.593 20.710 ( -17.127 6.928 2.093) 18.593 23.147 ( 0.015 -1.608 -1.335) 2.090 23.147 ( 0.015 -1.608 1.335) 2.090 23.446 ( 2.858 1.197 -2.642) 4.072 23.446 ( 2.858 1.197 2.642) 4.072 23.919 ( 8.521 4.619 -5.128) 10.965 23.919 ( 8.521 4.619 5.128) 10.965 24.504 ( 2.652 3.341 -0.397) 4.284 24.504 ( 2.652 3.341 0.397) 4.284 24.870 ( 5.388 2.618 -4.252) 7.346 24.870 ( 5.388 2.618 4.252) 7.346 25.502 ( -6.648 -9.260 -11.373) 16.103 25.502 ( -6.648 -9.260 11.373) 16.103 ======================= Grid point 261 (79/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( 17.441 -13.634 -11.228) 24.822 3.210 ( 17.441 -13.634 11.228) 24.822 3.435 ( 15.645 -17.706 -16.260) 28.682 3.435 ( 15.645 -17.706 16.260) 28.682 4.202 ( -5.579 -0.416 -3.892) 6.815 4.202 ( -5.579 -0.416 3.892) 6.815 4.800 ( -9.899 7.190 -0.982) 12.274 4.800 ( -9.899 7.190 0.982) 12.274 5.159 ( 16.984 -0.149 -6.796) 18.294 5.159 ( 16.984 -0.149 6.796) 18.294 5.364 ( 1.808 1.587 -10.949) 11.210 5.364 ( 1.808 1.587 10.949) 11.210 5.775 ( -5.175 6.076 -9.691) 12.554 5.775 ( -5.175 6.076 9.691) 12.554 6.253 ( -5.389 -4.457 -6.695) 9.681 6.253 ( -5.389 -4.457 6.695) 9.681 6.775 ( 3.764 -8.526 -4.097) 10.181 6.775 ( 3.764 -8.526 4.097) 10.181 7.052 ( 12.042 -2.424 -4.645) 13.132 7.052 ( 12.042 -2.424 4.645) 13.132 7.460 ( 4.009 4.945 -2.611) 6.881 7.460 ( 4.009 4.945 2.611) 6.881 8.136 ( -7.290 7.012 -6.292) 11.912 8.136 ( -7.290 7.012 6.292) 11.912 8.536 ( 10.919 9.998 -6.130) 16.024 8.536 ( 10.919 9.998 6.130) 16.024 9.244 ( 3.845 -8.745 -9.789) 13.678 9.244 ( 3.845 -8.745 9.789) 13.678 9.386 ( 3.793 7.734 -10.882) 13.879 9.386 ( 3.793 7.734 10.882) 13.879 9.790 ( 2.734 1.850 -9.375) 9.940 9.790 ( 2.734 1.850 9.375) 9.940 10.203 ( -5.460 2.572 -7.052) 9.282 10.203 ( -5.460 2.572 7.052) 9.282 10.498 ( -1.228 1.028 -15.501) 15.584 10.498 ( -1.228 1.028 15.501) 15.584 10.765 ( 3.343 4.201 -14.893) 15.831 10.765 ( 3.343 4.201 14.893) 15.831 11.000 ( -6.107 -2.106 -3.910) 7.551 11.000 ( -6.107 -2.106 3.910) 7.551 11.174 ( -1.431 1.370 -10.831) 11.011 11.174 ( -1.431 1.370 10.831) 11.011 11.516 ( -2.431 -1.085 -6.295) 6.835 11.516 ( -2.431 -1.085 6.295) 6.835 12.120 ( -2.276 -7.558 -5.692) 9.731 12.120 ( -2.276 -7.558 5.692) 9.731 12.430 ( -8.555 -9.579 -9.306) 15.860 12.430 ( -8.555 -9.579 9.306) 15.860 13.139 ( -3.851 -3.966 -4.643) 7.219 13.139 ( -3.851 -3.966 4.643) 7.219 13.899 ( -2.913 3.119 -3.494) 5.515 13.899 ( -2.913 3.119 3.494) 5.515 13.925 ( 0.062 0.875 -1.603) 1.827 13.925 ( 0.062 0.875 1.603) 1.827 14.197 ( -4.087 0.133 -9.358) 10.212 14.197 ( -4.087 0.133 9.358) 10.212 14.925 ( -5.078 2.104 -2.447) 6.017 14.925 ( -5.078 2.104 2.447) 6.017 15.992 ( 11.032 4.925 -5.952) 13.468 15.992 ( 11.032 4.925 5.952) 13.468 16.171 ( 4.236 -4.286 -2.213) 6.419 16.171 ( 4.236 -4.286 2.213) 6.419 19.914 ( 0.117 -5.553 -3.902) 6.787 19.914 ( 0.117 -5.553 3.902) 6.787 20.372 ( -11.700 7.143 -1.378) 13.778 20.372 ( -11.700 7.143 1.378) 13.778 23.182 ( 1.487 -2.858 -2.979) 4.388 23.182 ( 1.487 -2.858 2.979) 4.388 23.460 ( 0.328 2.702 -4.237) 5.036 23.460 ( 0.328 2.702 4.237) 5.036 24.004 ( 5.347 3.110 -5.310) 8.152 24.004 ( 5.347 3.110 5.310) 8.152 24.495 ( 0.463 3.412 -0.871) 3.551 24.495 ( 0.463 3.412 0.871) 3.551 24.968 ( 7.121 2.611 -4.369) 8.753 24.968 ( 7.121 2.611 4.369) 8.753 25.466 ( -6.260 -7.898 -9.663) 13.963 25.466 ( -6.260 -7.898 9.663) 13.963 ======================= Grid point 263 (80/100) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.584 ( 9.701 -7.223 -10.267) 15.865 3.584 ( 9.701 -7.223 10.267) 15.865 3.927 ( 17.184 -12.939 -9.459) 23.498 3.927 ( 17.184 -12.939 9.459) 23.498 4.104 ( -3.961 -3.731 -5.172) 7.507 4.104 ( -3.961 -3.731 5.172) 7.507 4.462 ( -15.419 12.535 -3.632) 20.201 4.462 ( -15.419 12.535 3.632) 20.201 5.158 ( -1.190 6.180 -4.559) 7.771 5.158 ( -1.190 6.180 4.559) 7.771 5.602 ( 1.531 -6.698 -9.574) 11.784 5.602 ( 1.531 -6.698 9.574) 11.784 5.654 ( 5.897 5.199 -17.012) 18.741 5.654 ( 5.897 5.199 17.012) 18.741 6.168 ( -5.354 -1.065 -1.166) 5.582 6.168 ( -5.354 -1.065 1.166) 5.582 6.970 ( 5.430 -10.462 -2.698) 12.092 6.970 ( 5.430 -10.462 2.698) 12.092 7.130 ( -0.178 7.207 -3.302) 7.929 7.130 ( -0.178 7.207 3.302) 7.929 7.543 ( 4.180 -1.712 -3.474) 5.699 7.543 ( 4.180 -1.712 3.474) 5.699 7.971 ( -3.801 4.294 -4.926) 7.559 7.971 ( -3.801 4.294 4.926) 7.559 8.663 ( 8.594 4.805 -2.894) 10.263 8.663 ( 8.594 4.805 2.894) 10.263 9.384 ( 4.022 1.045 -7.845) 8.878 9.384 ( 4.022 1.045 7.845) 8.878 9.424 ( 7.496 -3.489 -11.567) 14.218 9.424 ( 7.496 -3.489 11.567) 14.218 9.706 ( -13.598 0.781 -6.866) 15.253 9.706 ( -13.598 0.781 6.866) 15.253 10.033 ( -2.566 3.517 -3.314) 5.472 10.033 ( -2.566 3.517 3.314) 5.472 10.482 ( 0.765 1.757 -6.050) 6.346 10.482 ( 0.765 1.757 6.050) 6.346 10.847 ( 5.972 2.643 -4.833) 8.124 10.847 ( 5.972 2.643 4.833) 8.124 10.933 ( -3.795 -2.187 -2.313) 4.954 10.933 ( -3.795 -2.187 2.313) 4.954 11.128 ( -2.380 -1.228 -4.246) 5.020 11.128 ( -2.380 -1.228 4.246) 5.020 11.503 ( -0.764 -1.216 -2.311) 2.721 11.503 ( -0.764 -1.216 2.311) 2.721 12.161 ( 0.556 -2.955 -2.867) 4.155 12.161 ( 0.556 -2.955 2.867) 4.155 12.380 ( -4.056 -3.697 -3.457) 6.486 12.380 ( -4.056 -3.697 3.457) 6.486 13.134 ( -0.655 -2.363 -1.962) 3.140 13.134 ( -0.655 -2.363 1.962) 3.140 13.806 ( -2.696 1.363 -0.977) 3.175 13.806 ( -2.696 1.363 0.977) 3.175 13.961 ( 2.845 0.742 -4.007) 4.970 13.961 ( 2.845 0.742 4.007) 4.970 14.110 ( -3.573 1.115 -6.147) 7.197 14.110 ( -3.573 1.115 6.147) 7.197 14.844 ( -1.964 0.622 -0.737) 2.188 14.844 ( -1.964 0.622 0.737) 2.188 16.079 ( 2.700 1.355 -1.332) 3.302 16.079 ( 2.700 1.355 1.332) 3.302 16.266 ( 2.362 -1.036 -0.759) 2.688 16.266 ( 2.362 -1.036 0.759) 2.688 19.994 ( 2.413 -6.489 -3.573) 7.791 19.994 ( 2.413 -6.489 3.573) 7.791 20.139 ( -6.301 6.972 -2.386) 9.696 20.139 ( -6.301 6.972 2.386) 9.696 23.246 ( 1.809 -2.459 -2.739) 4.102 23.246 ( 1.809 -2.459 2.739) 4.102 23.416 ( -1.366 2.546 -3.423) 4.479 23.416 ( -1.366 2.546 3.423) 4.479 24.057 ( 2.163 0.822 -2.424) 3.351 24.057 ( 2.163 0.822 2.424) 3.351 24.470 ( -0.217 1.390 -0.568) 1.517 24.470 ( -0.217 1.390 0.568) 1.517 25.050 ( 3.392 1.532 -2.076) 4.262 25.050 ( 3.392 1.532 2.076) 4.262 25.435 ( -2.843 -3.374 -4.080) 6.010 25.435 ( -2.843 -3.374 4.080) 6.010 ======================= Grid point 275 (81/100) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.608 ( 14.412 0.000 -24.753) 28.643 2.608 ( 14.412 0.000 24.753) 28.643 2.899 ( 11.523 0.000 -31.501) 33.542 2.899 ( 11.523 0.000 31.501) 33.542 4.289 ( -3.680 -0.000 -3.551) 5.114 4.289 ( -3.680 -0.000 3.551) 5.114 4.527 ( 27.109 0.000 -29.780) 40.271 4.527 ( 27.109 0.000 29.780) 40.271 5.107 ( -6.889 -0.000 -1.166) 6.987 5.107 ( -6.889 -0.000 1.166) 6.987 5.511 ( 1.494 0.000 -3.896) 4.172 5.511 ( 1.494 0.000 3.896) 4.172 5.904 ( 1.868 0.000 -8.487) 8.690 5.904 ( 1.868 0.000 8.487) 8.690 6.149 ( -1.232 -0.000 -11.949) 12.012 6.149 ( -1.232 -0.000 11.949) 12.012 6.638 ( 21.847 0.000 -1.810) 21.922 6.638 ( 21.847 0.000 1.810) 21.922 6.787 ( -13.591 -0.000 -6.182) 14.931 6.787 ( -13.591 -0.000 6.182) 14.931 7.526 ( -0.099 -0.000 -3.568) 3.569 7.526 ( -0.099 -0.000 3.568) 3.569 8.398 ( -0.713 -0.000 -4.646) 4.701 8.398 ( -0.713 -0.000 4.646) 4.701 8.639 ( 3.472 0.000 -0.078) 3.473 8.639 ( 3.472 0.000 0.078) 3.473 8.930 ( 2.669 0.000 -9.438) 9.808 8.930 ( 2.669 0.000 9.438) 9.808 9.534 ( 4.257 0.000 -2.360) 4.868 9.534 ( 4.257 0.000 2.360) 4.868 9.856 ( 0.156 0.000 -11.750) 11.751 9.856 ( 0.156 0.000 11.750) 11.751 9.984 ( 10.236 0.000 -0.936) 10.279 9.984 ( 10.236 0.000 0.936) 10.279 10.540 ( -5.927 -0.000 -20.777) 21.606 10.540 ( -5.927 -0.000 20.777) 21.606 10.897 ( -4.099 -0.000 -1.262) 4.289 10.897 ( -4.099 -0.000 1.262) 4.289 11.147 ( -4.494 -0.000 -9.245) 10.279 11.147 ( -4.494 -0.000 9.245) 10.279 11.229 ( -0.834 -0.000 -1.655) 1.853 11.229 ( -0.834 -0.000 1.655) 1.853 11.625 ( -3.721 -0.000 -3.004) 4.782 11.625 ( -3.721 -0.000 3.004) 4.782 12.002 ( -2.951 -0.000 -5.444) 6.193 12.002 ( -2.951 -0.000 5.444) 6.193 12.419 ( -13.715 -0.000 -8.057) 15.906 12.419 ( -13.715 -0.000 8.057) 15.906 13.150 ( -6.260 -0.000 -4.554) 7.741 13.150 ( -6.260 -0.000 4.554) 7.741 13.914 ( 2.466 0.000 -0.132) 2.469 13.914 ( 2.466 0.000 0.132) 2.469 14.075 ( -6.844 -0.000 -0.605) 6.871 14.075 ( -6.844 -0.000 0.605) 6.871 14.200 ( -1.502 -0.000 -9.975) 10.087 14.200 ( -1.502 -0.000 9.975) 10.087 15.073 ( -4.896 -0.000 -5.081) 7.056 15.073 ( -4.896 -0.000 5.081) 7.056 15.776 ( 22.968 0.000 -10.703) 25.339 15.776 ( 22.968 0.000 10.703) 25.339 16.026 ( 1.808 0.000 -4.310) 4.674 16.026 ( 1.808 0.000 4.310) 4.674 19.829 ( -1.090 -0.000 -2.836) 3.038 19.829 ( -1.090 -0.000 2.836) 3.038 20.782 ( -18.217 -0.000 -3.414) 18.534 20.782 ( -18.217 -0.000 3.414) 18.534 23.130 ( -0.478 -0.000 -1.302) 1.387 23.130 ( -0.478 -0.000 1.302) 1.387 23.457 ( 3.226 0.000 -1.960) 3.774 23.457 ( 3.226 0.000 1.960) 3.774 23.966 ( 7.165 0.000 -3.228) 7.859 23.966 ( 7.165 0.000 3.228) 7.859 24.553 ( 4.715 0.000 -0.377) 4.730 24.553 ( 4.715 0.000 0.377) 4.730 24.902 ( 4.070 0.000 -4.219) 5.863 24.902 ( 4.070 0.000 4.219) 5.863 25.390 ( -5.691 -0.000 -10.261) 11.733 25.390 ( -5.691 -0.000 10.261) 11.733 ======================= Grid point 277 (82/100) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 19.721 -8.322 -11.558) 24.327 2.970 ( 19.721 -8.322 11.558) 24.327 3.190 ( 16.247 -6.053 -18.066) 25.039 3.190 ( 16.247 -6.053 18.066) 25.039 4.213 ( -3.731 0.773 -3.335) 5.063 4.213 ( -3.731 0.773 3.335) 5.063 4.878 ( -5.953 1.290 -3.017) 6.797 4.878 ( -5.953 1.290 3.017) 6.797 5.090 ( 18.752 -2.679 -11.733) 22.282 5.090 ( 18.752 -2.679 11.733) 22.282 5.510 ( 1.350 6.932 -7.645) 10.408 5.510 ( 1.350 6.932 7.645) 10.408 5.876 ( -3.312 3.835 -8.725) 10.089 5.876 ( -3.312 3.835 8.725) 10.089 6.130 ( -5.150 -6.229 -7.638) 11.121 6.130 ( -5.150 -6.229 7.638) 11.121 6.622 ( -4.008 -4.829 -1.872) 6.549 6.622 ( -4.008 -4.829 1.872) 6.549 7.031 ( 18.375 -0.329 -1.650) 18.452 7.031 ( 18.375 -0.329 1.650) 18.452 7.534 ( 1.720 2.014 -0.810) 2.770 7.534 ( 1.720 2.014 0.810) 2.770 8.252 ( -9.550 3.699 -8.600) 13.374 8.252 ( -9.550 3.699 8.600) 13.374 8.739 ( 10.703 9.192 -4.719) 14.877 8.739 ( 10.703 9.192 4.719) 14.877 9.041 ( 3.168 -9.338 -9.518) 13.704 9.041 ( 3.168 -9.338 9.518) 13.704 9.563 ( 3.597 7.096 -10.204) 12.939 9.563 ( 3.597 7.096 10.204) 12.939 9.819 ( -2.453 0.677 -16.113) 16.313 9.819 ( -2.453 0.677 16.113) 16.313 10.193 ( 4.150 -2.122 -2.908) 5.494 10.193 ( 4.150 -2.122 2.908) 5.494 10.468 ( -1.185 -1.892 -15.755) 15.912 10.468 ( -1.185 -1.892 15.755) 15.912 10.830 ( -2.063 0.884 -5.003) 5.484 10.830 ( -2.063 0.884 5.003) 5.484 10.995 ( -8.252 1.609 -8.188) 11.736 10.995 ( -8.252 1.609 8.188) 11.736 11.188 ( -3.849 0.271 -3.002) 4.888 11.188 ( -3.849 0.271 3.002) 4.888 11.552 ( -3.175 2.741 -2.391) 4.828 11.552 ( -3.175 2.741 2.391) 4.828 11.984 ( -0.004 -4.811 -2.742) 5.537 11.984 ( -0.004 -4.811 2.742) 5.537 12.282 ( -3.440 -4.454 -4.901) 7.462 12.282 ( -3.440 -4.454 4.901) 7.462 13.057 ( -4.974 -2.957 -4.478) 7.317 13.057 ( -4.974 -2.957 4.478) 7.317 13.944 ( -1.911 0.945 -0.812) 2.281 13.944 ( -1.911 0.945 0.812) 2.281 13.970 ( -0.362 2.552 -3.058) 4.000 13.970 ( -0.362 2.552 3.058) 4.000 14.190 ( -0.831 -0.641 -9.739) 9.796 14.190 ( -0.831 -0.641 9.739) 9.796 14.958 ( -6.437 1.010 -4.853) 8.124 14.958 ( -6.437 1.010 4.853) 8.124 16.002 ( 0.908 -1.635 -4.700) 5.059 16.002 ( 0.908 -1.635 4.700) 5.059 16.168 ( 13.935 1.701 -10.117) 17.304 16.168 ( 13.935 1.701 10.117) 17.304 19.823 ( -0.832 -2.746 -1.994) 3.494 19.823 ( -0.832 -2.746 1.994) 3.494 20.481 ( -12.299 3.115 -2.416) 12.916 20.481 ( -12.299 3.115 2.416) 12.916 23.140 ( 1.127 -1.163 -3.078) 3.478 23.140 ( 1.127 -1.163 3.078) 3.478 23.497 ( 1.056 0.939 -4.208) 4.439 23.497 ( 1.056 0.939 4.208) 4.439 24.040 ( 2.087 0.672 -2.312) 3.186 24.040 ( 2.087 0.672 2.312) 3.186 24.592 ( 1.693 4.527 -0.866) 4.910 24.592 ( 1.693 4.527 0.866) 4.910 24.987 ( 3.970 -0.427 -4.146) 5.756 24.987 ( 3.970 -0.427 4.146) 5.756 25.337 ( -1.724 -3.996 -9.971) 10.879 25.337 ( -1.724 -3.996 9.971) 10.879 ======================= Grid point 279 (83/100) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.425 ( 17.672 -8.189 -9.332) 21.597 3.425 ( 17.672 -8.189 9.332) 21.597 3.607 ( 18.956 -13.549 -5.252) 23.885 3.607 ( 18.956 -13.549 5.252) 23.885 4.135 ( -2.587 3.296 -6.172) 7.460 4.135 ( -2.587 3.296 6.172) 7.460 4.635 ( -13.185 5.495 -2.612) 14.521 4.635 ( -13.185 5.495 2.612) 14.521 5.375 ( 1.761 7.298 -16.605) 18.224 5.375 ( 1.761 7.298 16.605) 18.224 5.436 ( -0.102 -0.915 -1.646) 1.886 5.436 ( -0.102 -0.915 1.646) 1.886 5.794 ( 4.184 5.224 -8.683) 10.963 5.794 ( 4.184 5.224 8.683) 10.963 6.078 ( -6.435 -6.320 -4.344) 10.011 6.078 ( -6.435 -6.320 4.344) 10.011 6.725 ( 3.520 -11.800 -5.280) 13.398 6.725 ( 3.520 -11.800 5.280) 13.398 7.260 ( 7.423 3.975 -3.699) 9.197 7.260 ( 7.423 3.975 3.699) 9.197 7.543 ( 1.854 1.798 -1.454) 2.963 7.543 ( 1.854 1.798 1.454) 2.963 8.054 ( -7.613 3.346 -8.518) 11.904 8.054 ( -7.613 3.346 8.518) 11.904 8.779 ( 0.236 6.349 -3.528) 7.267 8.779 ( 0.236 6.349 3.528) 7.267 9.249 ( 10.869 -7.306 -0.701) 13.115 9.249 ( 10.869 -7.306 0.701) 13.115 9.551 ( 1.930 7.044 -16.298) 17.860 9.551 ( 1.930 7.044 16.298) 17.860 9.697 ( -10.166 0.315 -8.609) 13.325 9.697 ( -10.166 0.315 8.609) 13.325 10.127 ( -4.845 4.658 -5.487) 8.677 10.127 ( -4.845 4.658 5.487) 8.677 10.478 ( -2.873 -1.306 -8.794) 9.343 10.478 ( -2.873 -1.306 8.794) 9.343 10.816 ( -2.957 -3.057 -3.827) 5.722 10.816 ( -2.957 -3.057 3.827) 5.722 10.931 ( 0.715 -4.399 -4.471) 6.313 10.931 ( 0.715 -4.399 4.471) 6.313 11.105 ( -0.878 3.534 -4.071) 5.462 11.105 ( -0.878 3.534 4.071) 5.462 11.504 ( 0.180 0.218 -4.638) 4.646 11.504 ( 0.180 0.218 4.638) 4.646 12.082 ( 4.397 -4.082 -1.367) 6.154 12.082 ( 4.397 -4.082 1.367) 6.154 12.336 ( 5.319 -0.960 -2.726) 6.053 12.336 ( 5.319 -0.960 2.726) 6.053 13.043 ( -0.868 -5.336 -2.773) 6.076 13.043 ( -0.868 -5.336 2.773) 6.076 13.846 ( -4.052 2.020 -0.446) 4.550 13.846 ( -4.052 2.020 0.446) 4.550 13.982 ( 0.856 1.331 -1.496) 2.178 13.982 ( 0.856 1.331 1.496) 2.178 14.170 ( 0.384 3.700 -5.066) 6.285 14.170 ( 0.384 3.700 5.066) 6.285 14.847 ( -4.402 -0.237 -3.835) 5.843 14.847 ( -4.402 -0.237 3.835) 5.843 16.003 ( -3.950 -5.220 -4.127) 7.739 16.003 ( -3.950 -5.220 4.127) 7.739 16.341 ( 8.017 4.884 -8.515) 12.674 16.341 ( 8.017 4.884 8.515) 12.674 19.858 ( 0.227 -5.715 -1.714) 5.970 19.858 ( 0.227 -5.715 1.714) 5.970 20.275 ( -5.516 5.428 -2.049) 8.005 20.275 ( -5.516 5.428 2.049) 8.005 23.191 ( 2.243 -2.398 -3.950) 5.137 23.191 ( 2.243 -2.398 3.950) 5.137 23.472 ( -1.648 2.479 -5.871) 6.583 23.472 ( -1.648 2.479 5.871) 6.583 24.051 ( -0.918 -0.964 -2.544) 2.872 24.051 ( -0.918 -0.964 2.544) 2.872 24.550 ( -0.000 5.728 -1.343) 5.883 24.550 ( -0.000 5.728 1.343) 5.883 25.019 ( -2.987 -4.083 -1.329) 5.230 25.019 ( -2.987 -4.083 1.329) 5.230 25.401 ( 5.567 -0.245 -2.154) 5.974 25.401 ( 5.567 -0.245 2.154) 5.974 ======================= Grid point 281 (84/100) ======================= q-point: (-0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( 2.375 1.517 -1.669) 3.275 3.671 ( 2.375 1.517 1.669) 3.275 4.019 ( -0.619 -2.936 -5.289) 6.081 4.019 ( -0.619 -2.936 5.289) 6.081 4.131 ( 10.665 -7.525 -4.032) 13.661 4.131 ( 10.665 -7.525 4.032) 13.661 4.354 ( -2.852 8.648 -4.919) 10.350 4.354 ( -2.852 8.648 4.919) 10.350 5.192 ( -5.889 7.184 -0.632) 9.311 5.192 ( -5.889 7.184 0.632) 9.311 5.459 ( -2.667 -7.626 -13.965) 16.133 5.459 ( -2.667 -7.626 13.965) 16.133 5.817 ( -1.116 9.062 -7.224) 11.643 5.817 ( -1.116 9.062 7.224) 11.643 6.098 ( 4.178 -7.071 -4.780) 9.503 6.098 ( 4.178 -7.071 4.780) 9.503 6.886 ( -0.792 -11.030 -2.212) 11.278 6.886 ( -0.792 -11.030 2.212) 11.278 7.234 ( -0.142 10.091 -4.496) 11.048 7.234 ( -0.142 10.091 4.496) 11.048 7.575 ( -0.141 0.830 -7.508) 7.555 7.575 ( -0.141 0.830 7.508) 7.555 7.918 ( -4.075 -1.007 -0.527) 4.231 7.918 ( -4.075 -1.007 0.527) 4.231 8.611 ( -13.698 -0.070 -3.032) 14.030 8.611 ( -13.698 -0.070 3.032) 14.030 9.327 ( -11.140 -1.977 -7.938) 13.821 9.327 ( -11.140 -1.977 7.938) 13.821 9.551 ( 2.312 3.954 -7.675) 8.938 9.551 ( 2.312 3.954 7.675) 8.938 9.662 ( 10.723 -1.761 -13.515) 17.342 9.662 ( 10.723 -1.761 13.515) 17.342 10.025 ( -1.456 3.043 -3.365) 4.765 10.025 ( -1.456 3.043 3.365) 4.765 10.405 ( -6.897 -5.341 -6.034) 10.607 10.405 ( -6.897 -5.341 6.034) 10.607 10.781 ( -3.537 -2.370 -9.638) 10.537 10.781 ( -3.537 -2.370 9.638) 10.537 10.958 ( -2.239 -5.283 -1.926) 6.053 10.958 ( -2.239 -5.283 1.926) 6.053 11.147 ( 7.349 5.685 -1.545) 9.419 11.147 ( 7.349 5.685 1.545) 9.419 11.540 ( 3.655 0.918 -7.875) 8.731 11.540 ( 3.655 0.918 7.875) 8.731 12.190 ( 5.006 0.419 -6.366) 8.109 12.190 ( 5.006 0.419 6.366) 8.109 12.472 ( 11.191 5.197 -7.900) 14.651 12.472 ( 11.191 5.197 7.900) 14.651 13.107 ( 1.450 -4.510 -0.595) 4.774 13.107 ( 1.450 -4.510 0.595) 4.774 13.794 ( 0.178 -0.426 -2.865) 2.902 13.794 ( 0.178 -0.426 2.865) 2.902 13.960 ( -1.733 0.943 -3.929) 4.397 13.960 ( -1.733 0.943 3.929) 4.397 14.155 ( 3.556 5.321 -5.408) 8.379 14.155 ( 3.556 5.321 5.408) 8.379 14.818 ( -0.015 -2.103 -2.797) 3.499 14.818 ( -0.015 -2.103 2.797) 3.499 15.959 ( -7.826 -7.524 -4.600) 11.791 15.959 ( -7.826 -7.524 4.600) 11.791 16.372 ( 1.804 6.536 -6.094) 9.117 16.372 ( 1.804 6.536 6.094) 9.117 19.939 ( 0.664 -7.626 -2.206) 7.966 19.939 ( 0.664 -7.626 2.206) 7.966 20.175 ( 1.610 6.323 -6.243) 9.030 20.175 ( 1.610 6.323 6.243) 9.030 23.250 ( 0.931 -1.956 -3.313) 3.958 23.250 ( 0.931 -1.956 3.313) 3.958 23.411 ( -1.576 2.013 -3.794) 4.575 23.411 ( -1.576 2.013 3.794) 4.575 24.018 ( -4.757 -2.601 -2.474) 5.959 24.018 ( -4.757 -2.601 2.474) 5.959 24.501 ( 0.218 3.943 -1.682) 4.292 24.501 ( 0.218 3.943 1.682) 4.292 24.974 ( -6.606 -5.434 -3.972) 9.431 24.974 ( -6.606 -5.434 3.972) 9.431 25.514 ( 8.135 3.944 -4.600) 10.143 25.514 ( 8.135 3.944 4.600) 10.143 ======================= Grid point 283 (85/100) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( -12.247 13.151 -12.010) 21.614 3.478 ( -12.247 13.151 12.010) 21.614 3.765 ( -13.973 13.273 -13.346) 23.442 3.765 ( -13.973 13.273 13.346) 23.442 4.242 ( 5.022 2.635 -3.185) 6.505 4.242 ( 5.022 2.635 3.185) 6.505 4.608 ( 12.845 -10.264 -1.593) 16.519 4.608 ( 12.845 -10.264 1.593) 16.519 5.070 ( -8.143 -4.928 -3.096) 10.009 5.070 ( -8.143 -4.928 3.096) 10.009 5.468 ( -2.935 3.567 -15.066) 15.758 5.468 ( -2.935 3.567 15.066) 15.758 5.696 ( 2.100 2.296 -5.992) 6.752 5.696 ( 2.100 2.296 5.992) 6.752 6.267 ( 5.470 -3.131 -2.061) 6.631 6.267 ( 5.470 -3.131 2.061) 6.631 6.853 ( -8.723 -1.707 -5.321) 10.359 6.853 ( -8.723 -1.707 5.321) 10.359 7.143 ( -0.980 5.803 -1.043) 5.976 7.143 ( -0.980 5.803 1.043) 5.976 7.413 ( -12.469 2.448 -10.668) 16.592 7.413 ( -12.469 2.448 10.668) 16.592 7.992 ( 5.102 -7.904 -2.586) 9.757 7.992 ( 5.102 -7.904 2.586) 9.757 8.388 ( -10.295 -4.150 -4.202) 11.869 8.388 ( -10.295 -4.150 4.202) 11.869 9.195 ( -6.804 -6.000 -8.794) 12.635 9.195 ( -6.804 -6.000 8.794) 12.635 9.459 ( -4.459 7.229 -16.641) 18.683 9.459 ( -4.459 7.229 16.641) 18.683 9.765 ( -4.881 -0.733 -4.504) 6.682 9.765 ( -4.881 -0.733 4.504) 6.682 10.072 ( 1.857 -9.981 -9.585) 13.963 10.072 ( 1.857 -9.981 9.585) 13.963 10.411 ( 2.566 -5.851 -9.536) 11.478 10.411 ( 2.566 -5.851 9.536) 11.478 10.727 ( -3.323 -0.371 -17.375) 17.693 10.727 ( -3.323 -0.371 17.375) 17.693 11.005 ( 2.801 -3.269 -7.144) 8.341 11.005 ( 2.801 -3.269 7.144) 8.341 11.188 ( 2.967 5.091 -3.546) 6.877 11.188 ( 2.967 5.091 3.546) 6.877 11.592 ( 4.467 4.654 -10.615) 12.421 11.592 ( 4.467 4.654 10.615) 12.421 12.253 ( 4.827 5.882 -9.618) 12.264 12.253 ( 4.827 5.882 9.618) 12.264 12.624 ( 12.575 9.147 -13.413) 20.536 12.624 ( 12.575 9.147 13.413) 20.536 13.167 ( 2.378 -1.304 -2.364) 3.597 13.167 ( 2.378 -1.304 2.364) 3.597 13.846 ( 1.596 -2.665 -5.836) 6.611 13.846 ( 1.596 -2.665 5.836) 6.611 13.945 ( 4.078 2.850 -3.273) 5.955 13.945 ( 4.078 2.850 3.273) 5.955 14.203 ( 5.085 1.655 -7.808) 9.464 14.203 ( 5.085 1.655 7.808) 9.464 14.878 ( 3.530 -2.873 -2.388) 5.140 14.878 ( 3.530 -2.873 2.388) 5.140 15.851 ( -12.584 -7.952 -6.140) 16.103 15.851 ( -12.584 -7.952 6.140) 16.103 16.293 ( -2.786 6.787 -4.520) 8.617 16.293 ( -2.786 6.787 4.520) 8.617 19.981 ( -0.839 -0.807 -1.721) 2.078 19.981 ( -0.839 -0.807 1.721) 2.078 20.260 ( 10.092 -2.011 -5.936) 11.879 20.260 ( 10.092 -2.011 5.936) 11.879 23.238 ( -1.477 2.172 -2.859) 3.882 23.238 ( -1.477 2.172 2.859) 3.882 23.402 ( -0.544 -2.588 -2.636) 3.734 23.402 ( -0.544 -2.588 2.636) 3.734 23.928 ( -8.211 -4.018 -5.170) 10.502 23.928 ( -8.211 -4.018 5.170) 10.502 24.482 ( 0.418 1.667 -1.325) 2.170 24.482 ( 0.418 1.667 1.325) 2.170 24.893 ( -7.237 -4.630 -4.118) 9.527 24.893 ( -7.237 -4.630 4.118) 9.527 25.614 ( 8.278 6.634 -8.871) 13.828 25.614 ( 8.278 6.634 8.871) 13.828 ======================= Grid point 285 (86/100) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( -13.157 17.211 -18.672) 28.600 3.073 ( -13.157 17.211 18.672) 28.600 3.356 ( -13.172 17.592 -23.806) 32.399 3.356 ( -13.172 17.592 23.806) 32.399 4.296 ( 2.479 -0.161 -1.394) 2.848 4.296 ( 2.479 -0.161 1.394) 2.848 4.761 ( -12.127 2.725 -20.193) 23.712 4.761 ( -12.127 2.725 20.193) 23.712 4.956 ( 1.755 -4.791 -5.754) 7.690 4.956 ( 1.755 -4.791 5.754) 7.690 5.412 ( 4.868 4.116 -6.134) 8.847 5.412 ( 4.868 4.116 6.134) 8.847 5.797 ( 2.347 -3.213 -6.186) 7.356 5.797 ( 2.347 -3.213 6.186) 7.356 6.275 ( -7.094 -1.751 -6.565) 9.823 6.275 ( -7.094 -1.751 6.565) 9.823 6.699 ( -6.213 4.747 -8.410) 11.484 6.699 ( -6.213 4.747 8.410) 11.484 7.008 ( -1.603 10.730 -1.745) 10.988 7.008 ( -1.603 10.730 1.745) 10.988 7.310 ( -2.557 -11.619 -6.510) 13.562 7.310 ( -2.557 -11.619 6.510) 13.562 8.176 ( 3.972 -9.498 -2.418) 10.575 8.176 ( 3.972 -9.498 2.418) 10.575 8.326 ( -1.374 -5.057 -4.050) 6.622 8.326 ( -1.374 -5.057 4.050) 6.622 9.111 ( -11.370 -3.197 -8.107) 14.325 9.111 ( -11.370 -3.197 8.107) 14.325 9.329 ( -1.516 0.152 -11.291) 11.393 9.329 ( -1.516 0.152 11.291) 11.393 9.640 ( -8.758 -3.711 -5.991) 11.241 9.640 ( -8.758 -3.711 5.991) 11.241 10.156 ( -3.845 -8.457 -9.669) 13.409 10.156 ( -3.845 -8.457 9.669) 13.409 10.546 ( 5.398 -3.052 -12.770) 14.197 10.546 ( 5.398 -3.052 12.770) 14.197 10.719 ( 1.510 -4.214 -21.167) 21.635 10.719 ( 1.510 -4.214 21.167) 21.635 11.098 ( 2.395 -2.827 -6.614) 7.581 11.098 ( 2.395 -2.827 6.614) 7.581 11.181 ( 2.892 5.484 -2.617) 6.729 11.181 ( 2.892 5.484 2.617) 6.729 11.620 ( 4.484 4.777 -11.140) 12.924 11.620 ( 4.484 4.777 11.140) 12.924 12.238 ( 0.722 7.348 -8.874) 11.544 12.238 ( 0.722 7.348 8.874) 11.544 12.747 ( 10.765 10.054 -16.662) 22.240 12.747 ( 10.765 10.054 16.662) 22.240 13.242 ( 6.220 1.661 -1.907) 6.715 13.242 ( 6.220 1.661 1.907) 6.715 13.872 ( -0.104 -0.860 -2.826) 2.956 13.872 ( -0.104 -0.860 2.826) 2.956 14.069 ( 11.596 2.801 -3.850) 12.536 14.069 ( 11.596 2.801 3.850) 12.536 14.283 ( 4.290 1.278 -7.723) 8.926 14.283 ( 4.290 1.278 7.723) 8.926 14.991 ( 4.907 -3.520 -2.549) 6.555 14.991 ( 4.907 -3.520 2.549) 6.555 15.633 ( -18.807 -5.446 -8.136) 21.202 15.633 ( -18.807 -5.446 8.136) 21.202 16.159 ( -4.666 5.326 -3.979) 8.123 16.159 ( -4.666 5.326 3.979) 8.123 19.958 ( 0.158 3.304 -3.542) 4.846 19.958 ( 0.158 3.304 3.542) 4.846 20.546 ( 14.519 -8.388 -3.698) 17.171 20.546 ( 14.519 -8.388 3.698) 17.171 23.188 ( -1.304 2.367 -1.432) 3.058 23.188 ( -1.304 2.367 1.432) 3.058 23.404 ( -2.426 -3.220 -3.127) 5.103 23.404 ( -2.426 -3.220 3.127) 5.103 23.810 ( -9.581 -5.445 -5.676) 12.396 23.810 ( -9.581 -5.445 5.676) 12.396 24.472 ( -0.754 0.261 -0.730) 1.082 24.472 ( -0.754 0.261 0.730) 1.082 24.811 ( -5.462 -3.233 -3.670) 7.332 24.811 ( -5.462 -3.233 3.670) 7.332 25.685 ( 7.362 8.449 -11.806) 16.278 25.685 ( 7.362 8.449 11.806) 16.278 ======================= Grid point 287 (87/100) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -6.303 17.364 -27.612) 33.221 2.716 ( -6.303 17.364 27.612) 33.221 2.974 ( -9.893 13.911 -32.329) 36.559 2.974 ( -9.893 13.911 32.329) 36.559 4.339 ( -3.378 2.091 -14.000) 14.553 4.339 ( -3.378 2.091 14.000) 14.553 4.371 ( -8.144 13.079 -25.478) 29.775 4.371 ( -8.144 13.079 25.478) 29.775 5.091 ( 2.742 -6.948 -4.941) 8.956 5.091 ( 2.742 -6.948 4.941) 8.956 5.495 ( 4.440 1.341 -3.141) 5.602 5.495 ( 4.440 1.341 3.141) 5.602 5.790 ( -3.113 -1.427 -5.564) 6.534 5.790 ( -3.113 -1.427 5.564) 6.534 6.155 ( -6.980 -3.477 -7.352) 10.717 6.155 ( -6.980 -3.477 7.352) 10.717 6.465 ( -7.367 11.711 -11.759) 18.158 6.465 ( -7.367 11.711 11.759) 18.158 7.037 ( 7.583 1.537 -5.611) 9.558 7.037 ( 7.583 1.537 5.611) 9.558 7.415 ( 0.584 -10.231 -7.111) 12.474 7.415 ( 0.584 -10.231 7.111) 12.474 8.278 ( 0.448 -5.585 -0.823) 5.663 8.278 ( 0.448 -5.585 0.823) 5.663 8.418 ( 1.017 -5.415 -8.262) 9.931 8.418 ( 1.017 -5.415 8.262) 9.931 8.928 ( -6.859 -4.594 -5.195) 9.754 8.928 ( -6.859 -4.594 5.195) 9.754 9.340 ( -2.095 -1.623 -7.674) 8.119 9.340 ( -2.095 -1.623 7.674) 8.119 9.559 ( -5.138 -8.639 -1.994) 10.247 9.559 ( -5.138 -8.639 1.994) 10.247 10.110 ( -3.069 1.841 -11.237) 11.793 10.110 ( -3.069 1.841 11.237) 11.793 10.667 ( 5.241 -0.522 -21.397) 22.036 10.667 ( 5.241 -0.522 21.397) 22.036 10.843 ( 1.603 -12.964 -15.653) 20.388 10.843 ( 1.603 -12.964 15.653) 20.388 11.123 ( -0.065 -0.789 -8.103) 8.141 11.123 ( -0.065 -0.789 8.103) 8.141 11.183 ( 1.614 5.678 -16.218) 17.259 11.183 ( 1.614 5.678 16.218) 17.259 11.691 ( 5.585 0.024 -9.247) 10.803 11.691 ( 5.585 0.024 9.247) 10.803 12.155 ( -1.845 5.863 -6.786) 9.156 12.155 ( -1.845 5.863 6.786) 9.156 12.810 ( 4.959 6.435 -15.200) 17.235 12.810 ( 4.959 6.435 15.200) 17.235 13.356 ( 9.215 5.576 -1.857) 10.930 13.356 ( 9.215 5.576 1.857) 10.930 13.853 ( -2.374 0.187 -0.712) 2.486 13.853 ( -2.374 0.187 0.712) 2.486 14.273 ( 6.771 4.543 -5.893) 10.060 14.273 ( 6.771 4.543 5.893) 10.060 14.357 ( 13.109 1.724 -4.202) 13.874 14.357 ( 13.109 1.724 4.202) 13.874 15.088 ( -1.223 -3.156 -1.228) 3.601 15.088 ( -1.223 -3.156 1.228) 3.601 15.274 ( -20.368 -0.478 -5.796) 21.182 15.274 ( -20.368 -0.478 5.796) 21.182 16.042 ( -3.223 2.676 -3.697) 5.588 16.042 ( -3.223 2.676 3.697) 5.588 19.927 ( 0.435 4.110 -4.623) 6.201 19.927 ( 0.435 4.110 4.623) 6.201 20.920 ( 13.769 -11.674 -4.526) 18.611 20.920 ( 13.769 -11.674 4.526) 18.611 23.136 ( -3.092 0.029 -1.070) 3.272 23.136 ( -3.092 0.029 1.070) 3.272 23.408 ( 1.589 -1.447 -3.541) 4.142 23.408 ( 1.589 -1.447 3.541) 4.142 23.676 ( -10.647 -4.875 -4.327) 12.484 23.676 ( -10.647 -4.875 4.327) 12.484 24.449 ( -1.444 -0.285 -0.708) 1.634 24.449 ( -1.444 -0.285 0.708) 1.634 24.770 ( -2.245 -3.071 -2.733) 4.684 24.770 ( -2.245 -3.071 2.733) 4.684 25.709 ( 4.703 9.797 -13.197) 17.096 25.709 ( 4.703 9.797 13.197) 17.096 ======================= Grid point 289 (88/100) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.499 ( -0.000 14.854 -34.087) 37.182 2.499 ( -0.000 14.854 34.087) 37.182 2.775 ( -0.000 7.734 -37.627) 38.413 2.775 ( -0.000 7.734 37.627) 38.413 4.046 ( -0.000 16.932 -47.287) 50.227 4.046 ( -0.000 16.932 47.287) 50.227 4.389 ( 0.000 -1.649 -2.417) 2.927 4.389 ( 0.000 -1.649 2.417) 2.927 5.176 ( 0.000 -5.121 -5.311) 7.378 5.176 ( 0.000 -5.121 5.311) 7.378 5.508 ( -0.000 2.540 -3.517) 4.338 5.508 ( -0.000 2.540 3.517) 4.338 5.789 ( 0.000 -3.566 -7.689) 8.475 5.789 ( 0.000 -3.566 7.689) 8.475 6.112 ( 0.000 -3.114 -7.422) 8.049 6.112 ( 0.000 -3.114 7.422) 8.049 6.286 ( -0.000 10.379 -12.602) 16.326 6.286 ( -0.000 10.379 12.602) 16.326 7.122 ( 0.000 -1.118 -5.246) 5.364 7.122 ( 0.000 -1.118 5.246) 5.364 7.510 ( 0.000 -7.111 -7.242) 10.150 7.510 ( 0.000 -7.111 7.242) 10.150 8.296 ( -0.000 4.491 -7.298) 8.569 8.296 ( -0.000 4.491 7.298) 8.569 8.442 ( 0.000 -7.338 -3.182) 7.999 8.442 ( 0.000 -7.338 3.182) 7.999 8.997 ( 0.000 -11.227 -9.176) 14.500 8.997 ( 0.000 -11.227 9.176) 14.500 9.284 ( -0.000 1.891 -7.682) 7.912 9.284 ( -0.000 1.891 7.682) 7.912 9.611 ( 0.000 -8.520 -3.502) 9.212 9.611 ( 0.000 -8.520 3.502) 9.212 10.048 ( -0.000 4.957 -11.514) 12.536 10.048 ( -0.000 4.957 11.514) 12.536 10.713 ( -0.000 1.419 -26.585) 26.623 10.713 ( -0.000 1.419 26.585) 26.623 11.002 ( 0.000 -13.231 -11.455) 17.501 11.002 ( 0.000 -13.231 11.455) 17.501 11.105 ( -0.000 7.371 -18.566) 19.975 11.105 ( -0.000 7.371 18.566) 19.975 11.163 ( 0.000 -4.466 -9.559) 10.551 11.163 ( 0.000 -4.466 9.559) 10.551 11.766 ( 0.000 -1.248 -3.022) 3.269 11.766 ( 0.000 -1.248 3.022) 3.269 12.087 ( -0.000 3.764 -5.887) 6.987 12.087 ( -0.000 3.764 5.887) 6.987 12.809 ( -0.000 3.707 -9.675) 10.361 12.809 ( -0.000 3.707 9.675) 10.361 13.408 ( -0.000 4.894 -5.860) 7.635 13.408 ( -0.000 4.894 5.860) 7.635 13.812 ( -0.000 0.343 -0.645) 0.731 13.812 ( -0.000 0.343 0.645) 0.731 14.243 ( -0.000 6.878 -8.184) 10.691 14.243 ( -0.000 6.878 8.184) 10.691 14.688 ( 0.000 -1.655 -2.198) 2.751 14.688 ( 0.000 -1.655 2.198) 2.751 14.787 ( -0.000 3.668 -10.818) 11.423 14.787 ( -0.000 3.668 10.818) 11.423 15.188 ( 0.000 -1.716 -4.219) 4.554 15.188 ( 0.000 -1.716 4.219) 4.554 15.995 ( -0.000 1.174 -3.344) 3.544 15.995 ( -0.000 1.174 3.344) 3.544 19.893 ( -0.000 3.617 -4.629) 5.875 19.893 ( -0.000 3.617 4.629) 5.875 21.185 ( 0.000 -10.904 -5.424) 12.179 21.185 ( 0.000 -10.904 5.424) 12.179 23.104 ( 0.000 -1.088 -2.115) 2.378 23.104 ( 0.000 -1.088 2.115) 2.378 23.478 ( -0.000 1.820 -3.133) 3.623 23.478 ( -0.000 1.820 3.133) 3.623 23.562 ( 0.000 -5.482 -6.551) 8.543 23.562 ( 0.000 -5.482 6.551) 8.543 24.437 ( 0.000 -0.471 -0.985) 1.092 24.437 ( 0.000 -0.471 0.985) 1.092 24.786 ( 0.000 -4.009 -2.083) 4.518 24.786 ( 0.000 -4.009 2.083) 4.518 25.655 ( -0.000 10.018 -12.295) 15.860 25.655 ( -0.000 10.018 12.295) 15.860 ======================= Grid point 295 (89/100) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 3.320 ( 22.054 0.000 -4.913) 22.594 3.320 ( 22.054 0.000 4.913) 22.594 3.481 ( 17.377 0.000 -6.260) 18.471 3.481 ( 17.377 0.000 6.260) 18.471 4.174 ( -1.165 -0.000 -5.424) 5.548 4.174 ( -1.165 -0.000 5.424) 5.548 4.690 ( -11.675 -0.000 -0.919) 11.711 4.690 ( -11.675 -0.000 0.919) 11.711 5.328 ( 2.596 0.000 -13.332) 13.582 5.328 ( 2.596 0.000 13.332) 13.582 5.580 ( 0.764 0.000 -3.200) 3.290 5.580 ( 0.764 0.000 3.200) 3.290 5.834 ( -1.194 -0.000 -5.158) 5.295 5.834 ( -1.194 -0.000 5.158) 5.295 6.000 ( -3.162 -0.000 -6.678) 7.389 6.000 ( -3.162 -0.000 6.678) 7.389 6.590 ( 2.998 0.000 -5.625) 6.374 6.590 ( 2.998 0.000 5.625) 6.374 7.293 ( 9.839 0.000 -0.129) 9.839 7.293 ( 9.839 0.000 0.129) 9.839 7.572 ( 0.969 0.000 -0.721) 1.208 7.572 ( 0.969 0.000 0.721) 1.208 8.088 ( -9.827 -0.000 -10.230) 14.185 8.088 ( -9.827 -0.000 10.230) 14.185 8.861 ( -4.979 -0.000 -4.314) 6.588 8.861 ( -4.979 -0.000 4.314) 6.588 9.160 ( 15.024 0.000 -3.748) 15.484 9.160 ( 15.024 0.000 3.748) 15.484 9.594 ( -6.143 -0.000 -0.852) 6.202 9.594 ( -6.143 -0.000 0.852) 6.202 9.747 ( -2.720 -0.000 -0.919) 2.871 9.747 ( -2.720 -0.000 0.919) 2.871 10.172 ( -4.444 -0.000 -1.356) 4.647 10.172 ( -4.444 -0.000 1.356) 4.647 10.468 ( -1.736 -0.000 -3.112) 3.563 10.468 ( -1.736 -0.000 3.112) 3.563 10.759 ( -4.091 -0.000 -5.976) 7.242 10.759 ( -4.091 -0.000 5.976) 7.242 10.873 ( -5.802 -0.000 -2.898) 6.486 10.873 ( -5.802 -0.000 2.898) 6.486 11.167 ( 4.053 0.000 -1.585) 4.352 11.167 ( 4.053 0.000 1.585) 4.352 11.501 ( -1.832 -0.000 -5.990) 6.264 11.501 ( -1.832 -0.000 5.990) 6.264 12.036 ( 6.336 0.000 -1.057) 6.424 12.036 ( 6.336 0.000 1.057) 6.424 12.329 ( 9.867 0.000 -3.192) 10.370 12.329 ( 9.867 0.000 3.192) 10.370 12.981 ( -1.352 -0.000 -2.296) 2.665 12.981 ( -1.352 -0.000 2.296) 2.665 13.868 ( -5.109 -0.000 -0.853) 5.179 13.868 ( -5.109 -0.000 0.853) 5.179 13.999 ( 0.137 0.000 -1.192) 1.200 13.999 ( 0.137 0.000 1.192) 1.200 14.213 ( 3.173 0.000 -3.488) 4.716 14.213 ( 3.173 0.000 3.488) 4.716 14.843 ( -6.006 -0.000 -5.337) 8.035 14.843 ( -6.006 -0.000 5.337) 8.035 15.945 ( -4.636 -0.000 -4.277) 6.308 15.945 ( -4.636 -0.000 4.277) 6.308 16.394 ( 8.321 0.000 -9.970) 12.986 16.394 ( 8.321 0.000 9.970) 12.986 19.798 ( -0.142 -0.000 -0.211) 0.254 19.798 ( -0.142 -0.000 0.211) 0.254 20.331 ( -5.684 -0.000 -1.648) 5.918 20.331 ( -5.684 -0.000 1.648) 5.918 23.166 ( 2.166 0.000 -4.054) 4.597 23.166 ( 2.166 0.000 4.054) 4.597 23.498 ( -1.378 -0.000 -6.332) 6.480 23.498 ( -1.378 -0.000 6.332) 6.480 24.038 ( -1.975 -0.000 -1.283) 2.355 24.038 ( -1.975 -0.000 1.283) 2.355 24.628 ( -0.424 -0.000 -0.063) 0.429 24.628 ( -0.424 -0.000 0.063) 0.429 24.957 ( -4.961 -0.000 -3.896) 6.308 24.957 ( -4.961 -0.000 3.896) 6.308 25.403 ( 8.535 0.000 -1.089) 8.604 25.403 ( 8.535 0.000 1.089) 8.604 ======================= Grid point 297 (90/100) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.686 ( 12.981 1.201 -5.632) 14.201 3.686 ( 12.981 1.201 5.632) 14.201 3.805 ( 13.338 -9.225 -5.267) 17.051 3.805 ( 13.338 -9.225 5.267) 17.051 4.152 ( -0.729 1.991 -9.130) 9.373 4.152 ( -0.729 1.991 9.130) 9.373 4.510 ( -2.883 5.428 -3.619) 7.132 4.510 ( -2.883 5.428 3.619) 7.132 5.215 ( -13.267 -3.818 -20.770) 24.940 5.215 ( -13.267 -3.818 20.770) 24.940 5.479 ( -4.888 6.578 -5.937) 10.120 5.479 ( -4.888 6.578 5.937) 10.120 5.870 ( -0.895 -4.570 -7.179) 8.557 5.870 ( -0.895 -4.570 7.179) 8.557 6.036 ( 8.093 2.973 -1.398) 8.734 6.036 ( 8.093 2.973 1.398) 8.734 6.693 ( 2.865 -6.745 -2.338) 7.693 6.693 ( 2.865 -6.745 2.338) 7.693 7.384 ( 1.144 4.077 -3.983) 5.813 7.384 ( 1.144 4.077 3.983) 5.813 7.586 ( 1.947 0.775 -4.223) 4.714 7.586 ( 1.947 0.775 4.223) 4.714 7.901 ( -10.376 -0.980 -4.598) 11.392 7.901 ( -10.376 -0.980 4.598) 11.392 8.648 ( -15.691 2.421 -2.351) 16.050 8.648 ( -15.691 2.421 2.351) 16.050 9.286 ( -6.744 -1.900 -3.749) 7.946 9.286 ( -6.744 -1.900 3.749) 7.946 9.538 ( 3.368 -1.818 -1.759) 4.212 9.538 ( 3.368 -1.818 1.759) 4.212 9.699 ( -1.344 2.582 -17.381) 17.623 9.699 ( -1.344 2.582 17.381) 17.623 10.111 ( 0.778 3.255 -3.806) 5.068 10.111 ( 0.778 3.255 3.806) 5.068 10.326 ( -12.341 -1.311 -3.761) 12.968 10.326 ( -12.341 -1.311 3.761) 12.968 10.735 ( -1.569 -3.168 -8.376) 9.091 10.735 ( -1.569 -3.168 8.376) 9.091 10.825 ( -0.444 -4.043 -4.295) 5.915 10.825 ( -0.444 -4.043 4.295) 5.915 11.293 ( 9.888 6.233 -2.108) 11.877 11.293 ( 9.888 6.233 2.108) 11.877 11.515 ( 2.303 -2.607 -6.974) 7.793 11.515 ( 2.303 -2.607 6.974) 7.793 12.192 ( 10.158 -0.013 -8.438) 13.206 12.192 ( 10.158 -0.013 8.438) 13.206 12.562 ( 14.600 3.093 -7.305) 16.616 12.562 ( 14.600 3.093 7.305) 16.616 13.009 ( 2.299 -3.799 -3.112) 5.422 13.009 ( 2.299 -3.799 3.112) 5.422 13.784 ( -3.231 -0.410 -3.497) 4.778 13.784 ( -3.231 -0.410 3.497) 4.778 13.986 ( -0.315 1.009 -4.513) 4.635 13.986 ( -0.315 1.009 4.513) 4.635 14.268 ( 4.211 4.291 -3.626) 7.020 14.268 ( 4.211 4.291 3.626) 7.020 14.771 ( -2.064 -1.999 -4.469) 5.313 14.771 ( -2.064 -1.999 4.469) 5.313 15.845 ( -7.944 -3.276 -3.892) 9.433 15.845 ( -7.944 -3.276 3.892) 9.433 16.469 ( 1.543 2.732 -7.784) 8.393 16.469 ( 1.543 2.732 7.784) 8.393 19.824 ( 1.114 -3.300 -2.152) 4.094 19.824 ( 1.114 -3.300 2.152) 4.094 20.268 ( 0.129 2.557 -7.132) 7.577 20.268 ( 0.129 2.557 7.132) 7.577 23.211 ( 1.714 -1.300 -4.262) 4.774 23.211 ( 1.714 -1.300 4.262) 4.774 23.452 ( -2.564 1.410 -6.084) 6.751 23.452 ( -2.564 1.410 6.084) 6.751 23.976 ( -5.491 -1.281 -2.625) 6.220 23.976 ( -5.491 -1.281 2.625) 6.220 24.589 ( -1.040 3.747 -0.835) 3.977 24.589 ( -1.040 3.747 0.835) 3.977 24.868 ( -6.437 -4.114 -6.284) 9.891 24.868 ( -6.437 -4.114 6.284) 9.891 25.571 ( 9.697 1.577 -4.639) 10.865 25.571 ( 9.697 1.577 4.639) 10.865 ======================= Grid point 299 (91/100) ======================= q-point: (-0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.700 ( -4.848 9.138 -5.074) 11.522 3.700 ( -4.848 9.138 5.074) 11.522 3.927 ( -7.241 2.695 -6.164) 9.883 3.927 ( -7.241 2.695 6.164) 9.883 4.199 ( 4.390 -6.027 -3.009) 8.041 4.199 ( 4.390 -6.027 3.009) 8.041 4.550 ( 11.258 4.890 -2.653) 12.558 4.550 ( 11.258 4.890 2.653) 12.558 4.984 ( -14.203 -4.662 -10.511) 18.274 4.984 ( -14.203 -4.662 10.511) 18.274 5.429 ( 2.713 -3.102 -6.341) 7.563 5.429 ( 2.713 -3.102 6.341) 7.563 5.834 ( -2.064 4.185 -6.591) 8.076 5.834 ( -2.064 4.185 6.591) 8.076 6.205 ( 10.063 0.598 -5.546) 11.506 6.205 ( 10.063 0.598 5.546) 11.506 6.757 ( -3.713 -5.987 -1.654) 7.236 6.757 ( -3.713 -5.987 1.654) 7.236 7.253 ( -8.649 5.004 -4.499) 10.959 7.253 ( -8.649 5.004 4.499) 10.959 7.530 ( -7.622 7.255 -10.532) 14.887 7.530 ( -7.622 7.255 10.532) 14.887 7.828 ( 0.319 -8.216 -2.704) 8.655 7.828 ( 0.319 -8.216 2.704) 8.655 8.367 ( -9.498 0.835 -1.875) 9.717 8.367 ( -9.498 0.835 1.875) 9.717 9.133 ( -8.078 0.296 -4.346) 9.177 9.133 ( -8.078 0.296 4.346) 9.177 9.538 ( -7.586 0.185 -11.340) 13.645 9.538 ( -7.586 0.185 11.340) 13.645 9.683 ( -1.910 -8.796 -8.704) 12.521 9.683 ( -1.910 -8.796 8.704) 12.521 9.944 ( -15.815 -0.095 -4.006) 16.315 9.944 ( -15.815 -0.095 4.006) 16.315 10.319 ( 8.047 -3.080 -8.019) 11.770 10.319 ( 8.047 -3.080 8.019) 11.770 10.723 ( -1.846 -0.234 -16.784) 16.887 10.723 ( -1.846 -0.234 16.784) 16.887 10.917 ( 4.734 -4.335 -5.689) 8.578 10.917 ( 4.734 -4.335 5.689) 8.578 11.343 ( 4.680 9.076 -2.185) 10.443 11.343 ( 4.680 9.076 2.185) 10.443 11.633 ( 6.586 -1.149 -9.427) 11.557 11.633 ( 6.586 -1.149 9.427) 11.557 12.357 ( 8.408 4.667 -13.954) 16.947 12.357 ( 8.408 4.667 13.954) 16.947 12.749 ( 8.688 2.799 -9.775) 13.374 12.749 ( 8.688 2.799 9.775) 13.374 13.133 ( 8.305 -0.716 -5.744) 10.123 13.133 ( 8.305 -0.716 5.744) 10.123 13.786 ( 1.384 -3.179 -6.037) 6.962 13.786 ( 1.384 -3.179 6.037) 6.962 14.000 ( 4.480 2.021 -5.477) 7.359 14.000 ( 4.480 2.021 5.477) 7.359 14.284 ( 3.834 5.916 -5.842) 9.155 14.284 ( 3.834 5.916 5.842) 9.155 14.809 ( 2.362 -3.959 -3.955) 6.074 14.809 ( 2.362 -3.959 3.955) 6.074 15.716 ( -10.773 -5.171 -4.252) 12.684 15.716 ( -10.773 -5.171 4.252) 12.684 16.409 ( -3.885 4.432 -5.785) 8.259 16.409 ( -3.885 4.432 5.785) 8.259 19.896 ( 1.698 -5.217 -3.852) 6.703 19.896 ( 1.698 -5.217 3.852) 6.703 20.290 ( 5.582 2.842 -12.441) 13.929 20.290 ( 5.582 2.842 12.441) 13.929 23.243 ( 0.108 -1.284 -3.844) 4.054 23.243 ( 0.108 -1.284 3.844) 4.054 23.387 ( -3.067 0.906 -2.773) 4.233 23.387 ( -3.067 0.906 2.773) 4.233 23.863 ( -8.418 -2.365 -3.475) 9.409 23.863 ( -8.418 -2.365 3.475) 9.409 24.538 ( -0.466 3.436 -1.638) 3.835 24.538 ( -0.466 3.436 1.638) 3.835 24.799 ( -5.826 -4.568 -4.875) 8.863 24.799 ( -5.826 -4.568 4.875) 8.863 25.716 ( 8.713 3.592 -8.317) 12.570 25.716 ( 8.713 3.592 8.317) 12.570 ======================= Grid point 301 (92/100) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( -10.200 16.317 -11.676) 22.508 3.411 ( -10.200 16.317 11.676) 22.508 3.664 ( -11.810 13.137 -14.331) 22.747 3.664 ( -11.810 13.137 14.331) 22.747 4.260 ( -2.205 -4.155 -1.389) 4.905 4.260 ( -2.205 -4.155 1.389) 4.905 4.669 ( -2.362 -6.869 -14.596) 16.303 4.669 ( -2.362 -6.869 14.596) 16.303 4.896 ( 0.647 -3.696 -4.059) 5.528 4.896 ( 0.647 -3.696 4.059) 5.528 5.547 ( 5.582 3.264 -8.821) 10.937 5.547 ( 5.582 3.264 8.821) 10.937 5.794 ( 4.689 3.920 -3.125) 6.864 5.794 ( 4.689 3.920 3.125) 6.864 6.245 ( -7.063 2.355 -6.178) 9.675 6.245 ( -7.063 2.355 6.178) 9.675 6.754 ( 2.367 -1.163 -4.735) 5.420 6.754 ( 2.367 -1.163 4.735) 5.420 7.087 ( -6.791 -5.360 -8.058) 11.823 7.087 ( -6.791 -5.360 8.058) 11.823 7.259 ( -8.426 11.366 -4.787) 14.936 7.259 ( -8.426 11.366 4.787) 14.936 7.973 ( 2.852 -10.940 -7.488) 13.560 7.973 ( 2.852 -10.940 7.488) 13.560 8.289 ( 0.254 0.759 -0.939) 1.234 8.289 ( 0.254 0.759 0.939) 1.234 9.006 ( -9.310 -4.916 -5.782) 12.011 9.006 ( -9.310 -4.916 5.782) 12.011 9.352 ( -8.998 0.675 -11.095) 14.300 9.352 ( -8.998 0.675 11.095) 14.300 9.609 ( -11.164 -0.230 -10.062) 15.031 9.609 ( -11.164 -0.230 10.062) 15.031 9.836 ( -6.106 -20.339 -11.025) 23.927 9.836 ( -6.106 -20.339 11.025) 23.927 10.500 ( 7.678 -1.354 -5.190) 9.366 10.500 ( 7.678 -1.354 5.190) 9.366 10.691 ( -0.869 -0.035 -22.167) 22.184 10.691 ( -0.869 -0.035 22.167) 22.184 11.037 ( 3.532 -2.741 -10.365) 11.288 11.037 ( 3.532 -2.741 10.365) 11.288 11.338 ( 5.511 9.315 -10.092) 14.798 11.338 ( 5.511 9.315 10.092) 14.798 11.723 ( 4.571 4.164 -12.034) 13.530 11.723 ( 4.571 4.164 12.034) 13.530 12.373 ( -0.281 6.533 -10.983) 12.782 12.373 ( -0.281 6.533 10.983) 12.782 12.845 ( 2.947 -1.100 -18.049) 18.321 12.845 ( 2.947 -1.100 18.049) 18.321 13.315 ( 14.696 7.063 -5.392) 17.174 13.315 ( 14.696 7.063 5.392) 17.174 13.853 ( 2.169 -1.535 -4.776) 5.465 13.853 ( 2.169 -1.535 4.776) 5.465 14.127 ( 10.772 1.782 -6.173) 12.543 14.127 ( 10.772 1.782 6.173) 12.543 14.317 ( 4.826 3.146 -4.763) 7.475 14.317 ( 4.826 3.146 4.763) 7.475 14.909 ( 3.171 -4.845 -4.345) 7.239 14.909 ( 3.171 -4.845 4.345) 7.239 15.541 ( -13.144 -3.501 -6.271) 14.978 15.541 ( -13.144 -3.501 6.271) 14.978 16.259 ( -6.890 4.499 -4.602) 9.429 16.259 ( -6.890 4.499 4.602) 9.429 19.964 ( 0.951 -2.781 -2.457) 3.831 19.964 ( 0.951 -2.781 2.457) 3.831 20.434 ( 10.456 -2.339 -14.307) 17.875 20.434 ( 10.456 -2.339 14.307) 17.875 23.229 ( -2.233 1.447 -1.809) 3.218 23.229 ( -2.233 1.447 1.809) 3.218 23.331 ( -3.588 -3.462 -1.701) 5.268 23.331 ( -3.588 -3.462 1.701) 5.268 23.732 ( -8.004 -2.430 -3.748) 9.166 23.732 ( -8.004 -2.430 3.748) 9.166 24.500 ( -0.883 2.185 -1.475) 2.780 24.500 ( -0.883 2.185 1.475) 2.780 24.747 ( -3.867 -3.179 -3.004) 5.838 24.747 ( -3.867 -3.179 3.004) 5.838 25.819 ( 7.122 5.121 -11.270) 14.281 25.819 ( 7.122 5.121 11.270) 14.281 ======================= Grid point 303 (93/100) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( -4.863 19.189 -19.801) 28.000 3.084 ( -4.863 19.189 19.801) 28.000 3.278 ( -12.476 16.135 -23.031) 30.764 3.278 ( -12.476 16.135 23.031) 30.764 4.274 ( -0.441 -5.162 -2.292) 5.665 4.274 ( -0.441 -5.162 2.292) 5.665 4.603 ( -7.314 1.506 -23.500) 24.658 4.603 ( -7.314 1.506 23.500) 24.658 4.971 ( 2.357 -3.326 -5.449) 6.805 4.971 ( 2.357 -3.326 5.449) 6.805 5.568 ( 3.434 5.215 -5.599) 8.386 5.568 ( 3.434 5.215 5.599) 8.386 5.835 ( 1.866 7.479 -2.087) 7.986 5.835 ( 1.866 7.479 2.087) 7.986 6.078 ( -6.193 -2.460 -9.056) 11.244 6.078 ( -6.193 -2.460 9.056) 11.244 6.703 ( -4.109 11.199 -12.152) 17.029 6.703 ( -4.109 11.199 12.152) 17.029 7.103 ( 2.871 4.218 -5.179) 7.270 7.103 ( 2.871 4.218 5.179) 7.270 7.156 ( -0.542 -13.505 -9.045) 16.263 7.156 ( -0.542 -13.505 9.045) 16.263 8.125 ( 3.786 -9.059 -5.016) 11.025 8.125 ( 3.786 -9.059 5.016) 11.025 8.326 ( 0.525 -4.131 -5.115) 6.596 8.326 ( 0.525 -4.131 5.115) 6.596 8.841 ( -11.325 -3.869 -7.522) 14.135 8.841 ( -11.325 -3.869 7.522) 14.135 9.290 ( -0.588 -4.458 -3.788) 5.879 9.290 ( -0.588 -4.458 3.788) 5.879 9.441 ( -7.779 -2.331 -5.887) 10.030 9.441 ( -7.779 -2.331 5.887) 10.030 9.946 ( -3.726 -18.628 -12.921) 22.975 9.946 ( -3.726 -18.628 12.921) 22.975 10.608 ( 3.114 -2.123 -2.640) 4.602 10.608 ( 3.114 -2.123 2.640) 4.602 10.714 ( 1.765 -1.442 -18.833) 18.970 10.714 ( 1.765 -1.442 18.833) 18.970 11.091 ( 0.500 -1.869 -16.232) 16.347 11.091 ( 0.500 -1.869 16.232) 16.347 11.353 ( 4.976 9.779 -23.998) 26.387 11.353 ( 4.976 9.779 23.998) 26.387 11.743 ( 3.432 4.891 -13.907) 15.136 11.743 ( 3.432 4.891 13.907) 15.136 12.262 ( -4.304 4.799 -6.817) 9.383 12.262 ( -4.304 4.799 6.817) 9.383 12.880 ( 0.465 0.049 -22.062) 22.067 12.880 ( 0.465 0.049 22.062) 22.067 13.510 ( 14.235 9.854 -2.425) 17.482 13.510 ( 14.235 9.854 2.425) 17.482 13.867 ( -1.214 1.135 -2.232) 2.783 13.867 ( -1.214 1.135 2.232) 2.783 14.318 ( 7.816 0.358 -7.267) 10.678 14.318 ( 7.816 0.358 7.267) 10.678 14.407 ( 10.676 2.706 -4.211) 11.791 14.407 ( 10.676 2.706 4.211) 11.791 14.979 ( -4.395 -7.090 -5.725) 10.117 14.979 ( -4.395 -7.090 5.725) 10.117 15.310 ( -10.270 3.427 -7.922) 13.415 15.310 ( -10.270 3.427 7.922) 13.415 16.099 ( -5.503 2.939 -4.176) 7.508 16.099 ( -5.503 2.939 4.176) 7.508 19.984 ( 0.409 0.925 -1.371) 1.704 19.984 ( 0.409 0.925 1.371) 1.704 20.696 ( 10.209 -9.646 -13.328) 19.362 20.696 ( 10.209 -9.646 13.328) 19.362 23.134 ( -5.854 -0.225 -0.645) 5.893 23.134 ( -5.854 -0.225 0.645) 5.893 23.349 ( 1.264 -4.091 -3.009) 5.234 23.349 ( 1.264 -4.091 3.009) 5.234 23.618 ( -6.510 -0.952 -2.679) 7.104 23.618 ( -6.510 -0.952 2.679) 7.104 24.461 ( -1.248 1.304 -1.084) 2.105 24.461 ( -1.248 1.304 1.084) 2.105 24.722 ( -1.614 -1.913 -2.218) 3.344 24.722 ( -1.614 -1.913 2.218) 3.344 25.871 ( 4.416 6.416 -13.501) 15.587 25.871 ( 4.416 6.416 13.501) 15.587 ======================= Grid point 305 (94/100) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.860 ( -0.000 20.420 -27.610) 34.341 2.860 ( -0.000 20.420 27.610) 34.341 2.988 ( -0.000 13.369 -31.955) 34.638 2.988 ( -0.000 13.369 31.955) 34.638 4.330 ( 0.000 -4.618 -0.802) 4.687 4.330 ( 0.000 -4.618 0.802) 4.687 4.422 ( -0.000 16.367 -36.088) 39.626 4.422 ( -0.000 16.367 36.088) 39.626 5.045 ( 0.000 -6.849 -6.723) 9.597 5.045 ( 0.000 -6.849 6.723) 9.597 5.566 ( -0.000 2.702 -3.996) 4.824 5.566 ( -0.000 2.702 3.996) 4.824 5.778 ( -0.000 4.769 -4.540) 6.584 5.778 ( -0.000 4.769 4.540) 6.584 6.045 ( 0.000 -2.872 -10.633) 11.014 6.045 ( 0.000 -2.872 10.633) 11.014 6.525 ( -0.000 12.977 -11.811) 17.547 6.525 ( -0.000 12.977 11.811) 17.547 7.122 ( -0.000 1.523 -5.964) 6.156 7.122 ( -0.000 1.523 5.964) 6.156 7.296 ( 0.000 -14.139 -9.319) 16.933 7.296 ( 0.000 -14.139 9.319) 16.933 8.294 ( 0.000 -6.781 -5.533) 8.752 8.294 ( 0.000 -6.781 5.533) 8.752 8.324 ( 0.000 -3.959 -8.703) 9.562 8.324 ( 0.000 -3.959 8.703) 9.562 8.787 ( 0.000 -7.535 -9.511) 12.134 8.787 ( 0.000 -7.535 9.511) 12.134 9.313 ( -0.000 0.186 -7.418) 7.421 9.313 ( -0.000 0.186 7.418) 7.421 9.421 ( 0.000 -8.928 -6.252) 10.900 9.421 ( 0.000 -8.928 6.252) 10.900 10.049 ( 0.000 -8.595 -15.027) 17.311 10.049 ( 0.000 -8.595 15.027) 17.311 10.706 ( 0.000 -11.372 -15.062) 18.873 10.706 ( 0.000 -11.372 15.062) 18.873 10.733 ( -0.000 0.529 -24.058) 24.063 10.733 ( -0.000 0.529 24.058) 24.063 11.113 ( 0.000 -1.814 -17.604) 17.697 11.113 ( 0.000 -1.814 17.604) 17.697 11.294 ( -0.000 10.918 -27.197) 29.307 11.294 ( -0.000 10.918 27.197) 29.307 11.755 ( -0.000 1.395 -13.329) 13.402 11.755 ( -0.000 1.395 13.329) 13.402 12.170 ( -0.000 4.142 -5.899) 7.208 12.170 ( -0.000 4.142 5.899) 7.208 12.873 ( -0.000 1.852 -20.159) 20.244 12.873 ( -0.000 1.852 20.159) 20.244 13.565 ( -0.000 10.749 -2.673) 11.076 13.565 ( -0.000 10.749 2.673) 11.076 13.823 ( -0.000 0.723 -1.029) 1.258 13.823 ( -0.000 0.723 1.029) 1.258 14.349 ( -0.000 3.223 -6.820) 7.543 14.349 ( -0.000 3.223 6.820) 7.543 14.645 ( 0.000 -2.534 -1.485) 2.937 14.645 ( 0.000 -2.534 1.485) 2.937 14.840 ( 0.000 -0.246 -12.321) 12.324 14.840 ( 0.000 -0.246 12.321) 12.324 15.194 ( -0.000 3.625 -4.415) 5.713 15.194 ( -0.000 3.625 4.415) 5.713 16.025 ( -0.000 1.731 -3.910) 4.276 16.025 ( -0.000 1.731 3.910) 4.276 19.967 ( -0.000 3.100 -3.831) 4.928 19.967 ( -0.000 3.100 3.831) 4.928 20.926 ( 0.000 -13.769 -11.018) 17.634 20.926 ( 0.000 -13.769 11.018) 17.634 23.078 ( 0.000 -1.335 -1.822) 2.259 23.078 ( 0.000 -1.335 1.822) 2.259 23.437 ( 0.000 -6.496 -4.201) 7.736 23.437 ( 0.000 -6.496 4.201) 7.736 23.522 ( -0.000 2.461 -3.423) 4.216 23.522 ( -0.000 2.461 3.423) 4.216 24.438 ( -0.000 0.719 -0.923) 1.169 24.438 ( -0.000 0.719 0.923) 1.169 24.725 ( 0.000 -2.095 -2.295) 3.107 24.725 ( 0.000 -2.095 2.295) 3.107 25.843 ( -0.000 8.120 -14.352) 16.489 25.843 ( -0.000 8.120 14.352) 16.489 ======================= Grid point 315 (95/100) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 3.831 ( -1.882 -0.000 -1.416) 2.355 3.831 ( -1.882 -0.000 1.416) 2.355 3.887 ( 1.876 0.000 -3.428) 3.908 3.887 ( 1.876 0.000 3.428) 3.908 4.144 ( 1.208 0.000 -1.767) 2.140 4.144 ( 1.208 0.000 1.767) 2.140 4.644 ( 10.074 0.000 -4.331) 10.965 4.644 ( 10.074 0.000 4.331) 10.965 4.908 ( -17.327 -0.000 -21.976) 27.985 4.908 ( -17.327 -0.000 21.976) 27.985 5.400 ( -1.040 -0.000 -6.597) 6.679 5.400 ( -1.040 -0.000 6.597) 6.679 5.834 ( -1.280 -0.000 -7.906) 8.009 5.834 ( -1.280 -0.000 7.906) 8.009 6.260 ( 12.865 0.000 -3.650) 13.373 6.260 ( 12.865 0.000 3.650) 13.373 6.683 ( -1.002 -0.000 -2.867) 3.037 6.683 ( -1.002 -0.000 2.867) 3.037 7.308 ( -12.575 -0.000 -6.352) 14.088 7.308 ( -12.575 -0.000 6.352) 14.088 7.642 ( 1.832 0.000 -6.211) 6.476 7.642 ( 1.832 0.000 6.211) 6.476 7.706 ( -7.178 -0.000 -0.767) 7.219 7.706 ( -7.178 -0.000 0.767) 7.219 8.379 ( -10.734 -0.000 -1.241) 10.805 8.379 ( -10.734 -0.000 1.241) 10.805 9.171 ( -5.895 -0.000 -3.823) 7.026 9.171 ( -5.895 -0.000 3.823) 7.026 9.469 ( -7.847 -0.000 -4.928) 9.266 9.469 ( -7.847 -0.000 4.928) 9.266 9.605 ( -8.700 -0.000 -16.022) 18.232 9.605 ( -8.700 -0.000 16.022) 18.232 9.964 ( -20.184 -0.000 -9.218) 22.189 9.964 ( -20.184 -0.000 9.218) 22.189 10.291 ( 10.651 0.000 -8.001) 13.322 10.291 ( 10.651 0.000 8.001) 13.322 10.719 ( -0.550 -0.000 -16.807) 16.816 10.719 ( -0.550 -0.000 16.807) 16.816 10.869 ( 6.737 0.000 -7.425) 10.026 10.869 ( 6.737 0.000 7.425) 10.026 11.475 ( 3.240 0.000 -5.017) 5.972 11.475 ( 3.240 0.000 5.017) 5.972 11.581 ( 9.260 0.000 -2.751) 9.659 11.581 ( 9.260 0.000 2.751) 9.659 12.411 ( 11.183 0.000 -17.097) 20.429 12.411 ( 11.183 0.000 17.097) 20.429 12.760 ( 1.688 0.000 -0.120) 1.692 12.760 ( 1.688 0.000 0.120) 1.692 13.136 ( 16.019 0.000 -13.206) 20.761 13.136 ( 16.019 0.000 13.206) 20.761 13.748 ( 0.285 0.000 -5.063) 5.071 13.748 ( 0.285 0.000 5.063) 5.071 14.020 ( 3.863 0.000 -6.441) 7.511 14.020 ( 3.863 0.000 6.441) 7.511 14.363 ( 3.210 0.000 -5.085) 6.013 14.363 ( 3.210 0.000 5.085) 6.013 14.756 ( 1.871 0.000 -2.618) 3.218 14.756 ( 1.871 0.000 2.618) 3.218 15.663 ( -9.690 -0.000 -2.164) 9.929 15.663 ( -9.690 -0.000 2.164) 9.929 16.454 ( -4.393 -0.000 -6.262) 7.649 16.454 ( -4.393 -0.000 6.262) 7.649 19.839 ( 2.216 0.000 -3.964) 4.542 19.839 ( 2.216 0.000 3.964) 4.542 20.322 ( 4.312 0.000 -13.542) 14.212 20.322 ( 4.312 0.000 13.542) 14.212 23.225 ( 0.491 0.000 -3.909) 3.940 23.225 ( 0.491 0.000 3.909) 3.940 23.402 ( -3.981 -0.000 -3.543) 5.329 23.402 ( -3.981 -0.000 3.543) 5.329 23.840 ( -8.099 -0.000 -2.482) 8.470 23.840 ( -8.099 -0.000 2.482) 8.470 24.584 ( -1.479 -0.000 -0.042) 1.480 24.584 ( -1.479 -0.000 0.042) 1.480 24.742 ( -4.681 -0.000 -6.386) 7.918 24.742 ( -4.681 -0.000 6.386) 7.918 25.752 ( 8.731 0.000 -8.130) 11.930 25.752 ( 8.731 0.000 8.130) 11.930 ======================= Grid point 319 (96/100) ======================= q-point: (-0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( -7.149 9.242 -2.421) 11.932 3.675 ( -7.149 9.242 2.421) 11.932 3.845 ( -6.047 3.907 -5.671) 9.164 3.845 ( -6.047 3.907 5.671) 9.164 4.158 ( -3.018 -3.877 -6.960) 8.519 4.158 ( -3.018 -3.877 6.960) 8.519 4.578 ( -13.856 -2.467 -19.700) 24.211 4.578 ( -13.856 -2.467 19.700) 24.211 4.822 ( 4.830 -2.611 -2.131) 5.889 4.822 ( 4.830 -2.611 2.131) 5.889 5.550 ( 13.183 -0.298 -8.789) 15.847 5.550 ( 13.183 -0.298 8.789) 15.847 5.796 ( -3.171 -2.871 -6.049) 7.409 5.796 ( -3.171 -2.871 6.049) 7.409 6.420 ( 3.989 9.969 -4.613) 11.687 6.420 ( 3.989 9.969 4.613) 11.687 6.675 ( 2.791 -4.132 -5.426) 7.369 6.675 ( 2.791 -4.132 5.426) 7.369 7.055 ( -10.877 0.094 -11.181) 15.599 7.055 ( -10.877 0.094 11.181) 15.599 7.468 ( -9.122 8.101 -0.902) 12.233 7.468 ( -9.122 8.101 0.902) 12.233 7.778 ( 3.477 -7.546 -3.657) 9.078 7.778 ( 3.477 -7.546 3.657) 9.078 8.304 ( 0.297 -0.028 -2.146) 2.167 8.304 ( 0.297 -0.028 2.146) 2.167 8.989 ( -11.465 3.406 -3.398) 12.434 8.989 ( -11.465 3.406 3.398) 12.434 9.339 ( -9.760 -3.591 -1.806) 10.555 9.339 ( -9.760 -3.591 1.806) 10.555 9.447 ( -11.100 -11.063 -11.989) 19.731 9.447 ( -11.100 -11.063 11.989) 19.731 9.641 ( -12.871 -0.078 -11.764) 17.437 9.641 ( -12.871 -0.078 11.764) 17.437 10.486 ( 9.479 -0.265 -4.331) 10.424 10.486 ( 9.479 -0.265 4.331) 10.424 10.696 ( -1.152 0.315 -22.037) 22.069 10.696 ( -1.152 0.315 22.037) 22.069 10.997 ( 4.846 -1.161 -12.456) 13.415 10.997 ( 4.846 -1.161 12.456) 13.415 11.504 ( 4.881 6.032 -14.674) 16.599 11.504 ( 4.881 6.032 14.674) 16.599 11.755 ( 7.310 -0.496 -8.014) 10.859 11.755 ( 7.310 -0.496 8.014) 10.859 12.492 ( -1.767 4.787 -12.777) 13.758 12.492 ( -1.767 4.787 12.777) 13.758 12.763 ( 0.311 -4.674 -12.155) 13.026 12.763 ( 0.311 -4.674 12.155) 13.026 13.472 ( 20.264 6.407 -13.439) 25.145 13.472 ( 20.264 6.407 13.439) 25.145 13.802 ( 3.672 -2.934 -4.702) 6.648 13.802 ( 3.672 -2.934 4.702) 6.648 14.135 ( 8.370 -0.216 -7.390) 11.168 14.135 ( 8.370 -0.216 7.390) 11.168 14.397 ( 3.233 3.364 -4.354) 6.382 14.397 ( 3.233 3.364 4.354) 6.382 14.818 ( 1.835 -3.367 -3.279) 5.045 14.818 ( 1.835 -3.367 3.279) 5.045 15.499 ( -8.494 -0.941 -2.978) 9.050 15.499 ( -8.494 -0.941 2.978) 9.050 16.323 ( -8.271 1.767 -5.029) 9.840 16.323 ( -8.271 1.767 5.029) 9.840 19.896 ( 2.295 -2.555 -5.023) 6.085 19.896 ( 2.295 -2.555 5.023) 6.085 20.426 ( 7.188 0.374 -19.804) 21.072 20.426 ( 7.188 0.374 19.804) 21.072 23.230 ( -0.929 -0.818 -2.752) 3.018 23.230 ( -0.929 -0.818 2.752) 3.018 23.298 ( -6.572 -0.119 -0.421) 6.587 23.298 ( -6.572 -0.119 0.421) 6.587 23.705 ( -6.304 -0.560 -2.020) 6.644 23.705 ( -6.304 -0.560 2.020) 6.644 24.541 ( -2.130 1.481 -1.524) 3.008 24.541 ( -2.130 1.481 1.524) 3.008 24.695 ( -1.778 -1.712 -2.832) 3.756 24.695 ( -1.778 -1.712 2.832) 3.756 25.886 ( 6.696 1.682 -10.757) 12.782 25.886 ( 6.696 1.682 10.757) 12.782 ======================= Grid point 321 (97/100) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( -3.985 15.692 -8.908) 18.479 3.438 ( -3.985 15.692 8.908) 18.479 3.585 ( -10.568 14.182 -10.251) 20.442 3.585 ( -10.568 14.182 10.251) 20.442 4.146 ( -2.494 -7.180 -3.548) 8.388 4.146 ( -2.494 -7.180 3.548) 8.388 4.467 ( -6.502 -10.851 -22.997) 26.246 4.467 ( -6.502 -10.851 22.997) 26.246 4.922 ( 2.540 -2.810 -0.334) 3.803 4.922 ( 2.540 -2.810 0.334) 3.803 5.615 ( -3.841 -0.317 -2.380) 4.530 5.615 ( -3.841 -0.317 2.380) 4.530 5.927 ( 10.912 -0.706 -10.575) 15.212 5.927 ( 10.912 -0.706 10.575) 15.212 6.251 ( -1.800 17.964 -8.122) 19.797 6.251 ( -1.800 17.964 8.122) 19.797 6.843 ( 4.441 -2.562 -8.510) 9.935 6.843 ( 4.441 -2.562 8.510) 9.935 6.917 ( -5.024 -2.181 -12.437) 13.590 6.917 ( -5.024 -2.181 12.437) 13.590 7.259 ( -1.889 9.088 -3.101) 9.786 7.259 ( -1.889 9.088 3.101) 9.786 7.934 ( 4.631 -9.538 -8.475) 13.574 7.934 ( 4.631 -9.538 8.475) 13.574 8.275 ( -5.710 -1.428 -1.407) 6.052 8.275 ( -5.710 -1.428 1.407) 6.052 8.782 ( -7.826 -1.205 -4.245) 8.984 8.782 ( -7.826 -1.205 4.245) 8.984 9.209 ( -5.136 -2.812 -3.505) 6.824 9.209 ( -5.136 -2.812 3.505) 6.824 9.407 ( -5.662 -5.722 -11.337) 13.904 9.407 ( -5.662 -5.722 11.337) 13.904 9.529 ( -6.547 -16.520 -10.031) 20.406 9.529 ( -6.547 -16.520 10.031) 20.406 10.609 ( 3.181 0.980 -2.325) 4.060 10.609 ( 3.181 0.980 2.325) 4.060 10.700 ( 2.344 -0.271 -21.809) 21.937 10.700 ( 2.344 -0.271 21.809) 21.937 11.058 ( 1.045 -1.312 -18.471) 18.547 11.058 ( 1.045 -1.312 18.471) 18.547 11.533 ( 4.704 7.627 -25.540) 27.067 11.533 ( 4.704 7.627 25.540) 27.067 11.843 ( 4.433 4.205 -12.087) 13.544 11.843 ( 4.433 4.205 12.087) 13.544 12.342 ( -7.295 3.278 -5.714) 9.829 12.342 ( -7.295 3.278 5.714) 9.829 12.832 ( 1.175 -3.762 -23.309) 23.639 12.832 ( 1.175 -3.762 23.309) 23.639 13.708 ( 13.891 9.016 -7.037) 17.993 13.708 ( 13.891 9.016 7.037) 17.993 13.890 ( 2.607 0.961 -5.255) 5.944 13.890 ( 2.607 0.961 5.255) 5.944 14.299 ( 6.638 -2.027 -6.206) 9.311 14.299 ( 6.638 -2.027 6.206) 9.311 14.455 ( 7.309 2.222 -2.358) 7.995 14.455 ( 7.309 2.222 2.358) 7.995 14.844 ( -5.081 -5.910 -6.778) 10.329 14.844 ( -5.081 -5.910 6.778) 10.329 15.378 ( -3.437 2.857 -8.530) 9.630 15.378 ( -3.437 2.857 8.530) 9.630 16.149 ( -7.450 1.912 -4.605) 8.965 16.149 ( -7.450 1.912 4.605) 8.965 19.958 ( 1.158 -2.795 -4.191) 5.170 19.958 ( 1.158 -2.795 4.191) 5.170 20.573 ( 6.931 -3.008 -23.318) 24.512 20.573 ( 6.931 -3.008 23.318) 24.512 23.126 ( -7.526 -0.510 -0.549) 7.563 23.126 ( -7.526 -0.510 0.549) 7.563 23.278 ( 0.808 -2.595 -2.009) 3.380 23.278 ( 0.808 -2.595 2.009) 3.380 23.618 ( -3.525 0.453 -2.680) 4.452 23.618 ( -3.525 0.453 2.680) 4.452 24.489 ( -1.790 1.213 -1.831) 2.834 24.489 ( -1.790 1.213 1.831) 2.834 24.693 ( -0.284 -1.002 -1.124) 1.532 24.693 ( -0.284 -1.002 1.124) 1.532 25.962 ( 3.882 2.915 -12.751) 13.644 25.962 ( 3.882 2.915 12.751) 13.644 ======================= Grid point 323 (98/100) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 3.265 ( -0.000 20.056 -19.995) 28.320 3.265 ( -0.000 20.056 19.995) 28.320 3.277 ( -0.000 15.280 -23.956) 28.414 3.277 ( -0.000 15.280 23.956) 28.414 4.206 ( 0.000 -7.745 -3.203) 8.381 4.206 ( 0.000 -7.745 3.203) 8.381 4.502 ( 0.000 -7.630 -25.877) 26.979 4.502 ( 0.000 -7.630 25.877) 26.979 4.966 ( 0.000 -2.009 -4.425) 4.860 4.966 ( 0.000 -2.009 4.425) 4.860 5.581 ( 0.000 -1.519 -1.569) 2.184 5.581 ( 0.000 -1.519 1.569) 2.184 6.031 ( -0.000 1.587 -14.933) 15.017 6.031 ( -0.000 1.587 14.933) 15.017 6.041 ( -0.000 20.423 -6.456) 21.420 6.041 ( -0.000 20.424 6.456) 21.420 6.761 ( -0.000 10.148 -10.971) 14.945 6.761 ( -0.000 10.148 10.971) 14.945 7.004 ( 0.000 -13.891 -8.935) 16.516 7.004 ( 0.000 -13.891 8.935) 16.516 7.196 ( -0.000 6.359 -5.864) 8.650 7.196 ( -0.000 6.359 5.864) 8.650 8.143 ( 0.000 -12.104 -8.540) 14.814 8.143 ( 0.000 -12.104 8.540) 14.814 8.183 ( 0.000 -4.575 -3.971) 6.058 8.183 ( 0.000 -4.575 3.971) 6.058 8.721 ( 0.000 -0.544 -4.939) 4.969 8.721 ( 0.000 -0.544 4.939) 4.969 9.216 ( 0.000 -6.732 -3.938) 7.799 9.216 ( 0.000 -6.732 3.938) 7.799 9.365 ( -0.000 0.543 -10.279) 10.293 9.365 ( -0.000 0.543 10.279) 10.293 9.689 ( 0.000 -24.251 -15.674) 28.875 9.689 ( 0.000 -24.251 15.674) 28.875 10.620 ( -0.000 0.242 -9.893) 9.896 10.620 ( -0.000 0.242 9.893) 9.896 10.736 ( 0.000 -0.083 -21.203) 21.203 10.736 ( 0.000 -0.083 21.203) 21.203 11.080 ( 0.000 -1.510 -20.634) 20.689 11.080 ( 0.000 -1.510 20.634) 20.689 11.499 ( -0.000 9.084 -30.558) 31.880 11.499 ( -0.000 9.084 30.558) 31.880 11.835 ( -0.000 6.092 -15.746) 16.883 11.835 ( -0.000 6.092 15.746) 16.883 12.236 ( -0.000 2.368 -5.991) 6.442 12.236 ( -0.000 2.368 5.991) 6.442 12.869 ( 0.000 -2.037 -24.622) 24.706 12.869 ( 0.000 -2.037 24.622) 24.706 13.801 ( -0.000 12.259 -6.014) 13.655 13.801 ( -0.000 12.259 6.014) 13.655 13.838 ( -0.000 0.761 -1.361) 1.560 13.838 ( -0.000 0.761 1.361) 1.560 14.372 ( 0.000 -0.617 -5.537) 5.571 14.372 ( 0.000 -0.617 5.537) 5.571 14.596 ( 0.000 -2.215 -0.661) 2.312 14.596 ( 0.000 -2.215 0.661) 2.312 14.779 ( 0.000 -4.523 -11.143) 12.026 14.779 ( 0.000 -4.523 11.143) 12.026 15.306 ( -0.000 6.162 -9.329) 11.181 15.306 ( -0.000 6.162 9.329) 11.181 16.058 ( -0.000 1.463 -4.540) 4.770 16.058 ( -0.000 1.463 4.540) 4.770 19.988 ( 0.000 -1.184 -1.518) 1.925 19.988 ( 0.000 -1.184 1.518) 1.925 20.703 ( 0.000 -7.918 -21.372) 22.792 20.703 ( 0.000 -7.918 21.372) 22.792 23.055 ( 0.000 -0.965 -1.564) 1.838 23.055 ( 0.000 -0.965 1.564) 1.838 23.327 ( 0.000 -4.443 -2.395) 5.048 23.327 ( 0.000 -4.443 2.395) 5.048 23.567 ( -0.000 1.960 -3.679) 4.168 23.567 ( -0.000 1.960 3.679) 4.168 24.460 ( -0.000 1.195 -1.417) 1.854 24.460 ( -0.000 1.195 1.417) 1.854 24.698 ( 0.000 -0.805 -1.729) 1.907 24.698 ( 0.000 -0.805 1.729) 1.907 25.964 ( -0.000 4.285 -13.835) 14.483 25.964 ( -0.000 4.285 13.835) 14.483 ======================= Grid point 337 (99/100) ======================= q-point: (-0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 3.628 ( -3.539 -0.000 -4.465) 5.697 3.628 ( -3.539 -0.000 4.465) 5.697 3.746 ( -6.736 -0.000 -5.382) 8.622 3.746 ( -6.736 -0.000 5.382) 8.622 4.059 ( -4.442 -0.000 -0.615) 4.485 4.059 ( -4.442 -0.000 0.615) 4.485 4.318 ( -9.085 -0.000 -28.560) 29.970 4.318 ( -9.085 -0.000 28.560) 29.970 4.886 ( 2.972 0.000 -2.119) 3.649 4.886 ( 2.972 0.000 2.119) 3.649 5.602 ( -6.946 -0.000 -2.038) 7.238 5.602 ( -6.946 -0.000 2.038) 7.238 5.915 ( 15.702 0.000 -12.614) 20.141 5.915 ( 15.702 0.000 12.614) 20.141 6.470 ( -1.713 -0.000 -4.029) 4.378 6.470 ( -1.713 -0.000 4.029) 4.378 6.758 ( 3.423 0.000 -5.948) 6.862 6.758 ( 3.423 0.000 5.948) 6.862 6.944 ( -1.714 -0.000 -12.469) 12.586 6.944 ( -1.714 -0.000 12.469) 12.586 7.386 ( -1.750 -0.000 -8.971) 9.140 7.386 ( -1.750 -0.000 8.971) 9.140 7.813 ( 4.015 0.000 -0.379) 4.032 7.813 ( 4.015 0.000 0.379) 4.032 8.256 ( -8.273 -0.000 -2.388) 8.611 8.256 ( -8.273 -0.000 2.388) 8.611 8.797 ( -7.274 -0.000 -0.408) 7.286 8.797 ( -7.274 -0.000 0.408) 7.286 9.189 ( -6.024 -0.000 -11.735) 13.191 9.189 ( -6.024 -0.000 11.735) 13.191 9.203 ( -5.508 -0.000 -2.600) 6.090 9.203 ( -5.508 -0.000 2.600) 6.090 9.455 ( -7.600 -0.000 -11.515) 13.797 9.455 ( -7.600 -0.000 11.515) 13.797 10.621 ( 3.960 0.000 -1.716) 4.316 10.621 ( 3.960 0.000 1.716) 4.316 10.698 ( 1.940 0.000 -22.836) 22.918 10.698 ( 1.940 0.000 22.836) 22.918 11.045 ( 1.251 0.000 -19.180) 19.221 11.045 ( 1.251 0.000 19.180) 19.221 11.615 ( 3.298 0.000 -27.222) 27.421 11.615 ( 3.298 0.000 27.222) 27.421 11.886 ( 6.708 0.000 -8.924) 11.164 11.886 ( 6.708 0.000 8.924) 11.164 12.379 ( -9.425 -0.000 -3.979) 10.231 12.379 ( -9.425 -0.000 3.979) 10.231 12.784 ( 2.650 0.000 -23.501) 23.649 12.784 ( 2.650 0.000 23.501) 23.649 13.811 ( 6.162 0.000 -2.480) 6.643 13.811 ( 6.162 0.000 2.480) 6.643 13.898 ( 12.308 0.000 -9.461) 15.524 13.898 ( 12.308 0.000 9.461) 15.524 14.269 ( 5.518 0.000 -5.036) 7.471 14.269 ( 5.518 0.000 5.036) 7.471 14.482 ( 4.919 0.000 -2.026) 5.320 14.482 ( 4.919 0.000 2.026) 5.320 14.778 ( -4.492 -0.000 -6.058) 7.541 14.778 ( -4.492 -0.000 6.058) 7.541 15.408 ( -1.354 -0.000 -8.921) 9.023 15.408 ( -1.354 -0.000 8.921) 9.023 16.169 ( -8.224 -0.000 -4.757) 9.500 16.169 ( -8.224 -0.000 4.757) 9.500 19.922 ( 1.579 0.000 -5.612) 5.830 19.922 ( 1.579 0.000 5.612) 5.830 20.550 ( 5.636 0.000 -26.452) 27.045 20.550 ( 5.636 0.000 26.452) 27.045 23.120 ( -7.661 -0.000 -0.610) 7.685 23.120 ( -7.661 -0.000 0.610) 7.685 23.253 ( 0.417 0.000 -1.570) 1.624 23.253 ( 0.417 0.000 1.570) 1.624 23.624 ( -2.709 -0.000 -2.845) 3.928 23.624 ( -2.709 -0.000 2.845) 3.928 24.502 ( -2.167 -0.000 -2.167) 3.065 24.502 ( -2.167 -0.000 2.167) 3.065 24.683 ( 0.428 0.000 -0.061) 0.433 24.683 ( 0.428 0.000 0.061) 0.433 25.990 ( 3.634 0.000 -12.370) 12.892 25.990 ( 3.634 0.000 12.370) 12.892 ======================= Grid point 341 (100/100) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 3.543 ( -0.000 9.740 -13.291) 16.478 3.543 ( -0.000 9.740 13.291) 16.478 3.607 ( -0.000 12.428 -10.002) 15.954 3.607 ( -0.000 12.428 10.002) 15.954 4.049 ( 0.000 -6.661 -7.397) 9.954 4.049 ( 0.000 -6.661 7.397) 9.954 4.289 ( 0.000 -9.824 -31.288) 32.794 4.289 ( 0.000 -9.824 31.288) 32.794 4.924 ( 0.000 -1.658 -1.698) 2.373 4.924 ( 0.000 -1.658 1.698) 2.373 5.535 ( 0.000 -1.912 -1.381) 2.359 5.535 ( 0.000 -1.912 1.381) 2.359 6.075 ( -0.000 1.779 -16.844) 16.938 6.075 ( -0.000 1.779 16.844) 16.938 6.398 ( -0.000 11.188 -5.889) 12.643 6.398 ( -0.000 11.188 5.889) 12.643 6.804 ( 0.000 -5.521 -5.395) 7.719 6.804 ( 0.000 -5.521 5.395) 7.719 6.903 ( -0.000 3.931 -9.203) 10.008 6.903 ( -0.000 3.931 9.203) 10.008 7.363 ( -0.000 8.650 -10.436) 13.555 7.363 ( -0.000 8.650 10.436) 13.555 7.918 ( 0.000 -9.005 -3.825) 9.784 7.918 ( 0.000 -9.005 3.825) 9.784 8.117 ( 0.000 -1.896 -5.787) 6.090 8.117 ( 0.000 -1.896 5.787) 6.090 8.740 ( -0.000 2.068 -0.417) 2.110 8.740 ( -0.000 2.068 0.417) 2.110 9.125 ( 0.000 -2.328 -2.635) 3.516 9.125 ( 0.000 -2.328 2.635) 3.516 9.256 ( 0.000 -15.462 -15.759) 22.078 9.256 ( 0.000 -15.462 15.759) 22.078 9.375 ( -0.000 0.288 -12.034) 12.038 9.375 ( -0.000 0.288 12.034) 12.038 10.640 ( -0.000 0.866 -8.585) 8.629 10.640 ( -0.000 0.866 8.585) 8.629 10.734 ( 0.000 -0.099 -19.692) 19.693 10.734 ( 0.000 -0.099 19.692) 19.693 11.058 ( 0.000 -0.652 -21.123) 21.133 11.058 ( 0.000 -0.652 21.123) 21.133 11.627 ( -0.000 3.490 -31.690) 31.882 11.627 ( -0.000 3.490 31.690) 31.882 11.947 ( -0.000 3.893 -13.154) 13.718 11.947 ( -0.000 3.893 13.154) 13.718 12.265 ( -0.000 0.662 -6.121) 6.156 12.265 ( -0.000 0.662 6.121) 6.156 12.820 ( 0.000 -2.010 -25.565) 25.644 12.820 ( 0.000 -2.010 25.565) 25.644 13.849 ( -0.000 0.307 -1.416) 1.448 13.849 ( -0.000 0.307 1.416) 1.448 14.006 ( -0.000 7.126 -12.274) 14.192 14.006 ( -0.000 7.126 12.274) 14.192 14.333 ( 0.000 -2.566 -3.457) 4.305 14.333 ( 0.000 -2.566 3.457) 4.305 14.565 ( 0.000 -0.865 -0.522) 1.010 14.565 ( 0.000 -0.865 0.522) 1.010 14.707 ( 0.000 -2.108 -9.946) 10.167 14.707 ( 0.000 -2.108 9.946) 10.167 15.396 ( -0.000 2.460 -11.773) 12.027 15.396 ( -0.000 2.460 11.773) 12.027 16.078 ( -0.000 0.564 -4.946) 4.978 16.078 ( -0.000 0.564 4.946) 4.978 19.946 ( 0.000 -1.831 -5.354) 5.658 19.946 ( 0.000 -1.831 5.354) 5.658 20.615 ( 0.000 -1.740 -28.411) 28.464 20.615 ( 0.000 -1.740 28.411) 28.464 23.042 ( 0.000 -0.342 -1.423) 1.463 23.042 ( 0.000 -0.342 1.423) 1.463 23.267 ( 0.000 -1.529 -1.404) 2.076 23.267 ( 0.000 -1.529 1.404) 2.076 23.595 ( -0.000 0.736 -3.820) 3.890 23.595 ( -0.000 0.736 3.820) 3.890 24.478 ( -0.000 0.523 -1.984) 2.052 24.478 ( -0.000 0.523 1.984) 2.052 24.689 ( 0.000 -0.185 -0.982) 0.999 24.689 ( 0.000 -0.185 0.982) 0.999 26.018 ( -0.000 1.280 -13.084) 13.147 26.018 ( -0.000 1.280 13.084) 13.147 =================== 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 3/37908 10.0 3368.983 8460.269 4780.506 0.000 0.000 -0.000 3/37908 20.0 3370.803 4173.886 3539.583 0.000 0.000 -0.000 3/37908 30.0 1152.727 1211.816 1232.910 0.000 0.000 -0.000 3/37908 40.0 518.985 506.854 558.781 0.000 0.000 -0.000 3/37908 50.0 283.143 265.939 306.570 0.000 0.000 -0.000 3/37908 60.0 174.034 160.789 189.680 0.000 0.000 -0.000 3/37908 70.0 116.701 107.174 127.766 0.000 0.000 -0.000 3/37908 80.0 83.712 76.734 91.852 0.000 0.000 -0.000 3/37908 90.0 63.322 58.012 69.525 0.000 0.000 -0.000 3/37908 100.0 49.963 45.757 54.841 0.000 0.000 -0.000 3/37908 110.0 40.777 37.321 44.722 0.000 0.000 -0.000 3/37908 120.0 34.200 31.269 37.466 0.000 0.000 -0.000 3/37908 130.0 29.326 26.776 32.085 0.000 0.000 -0.000 3/37908 140.0 25.606 23.340 27.978 0.000 0.000 -0.000 3/37908 150.0 22.695 20.648 24.763 0.000 0.000 -0.000 3/37908 160.0 20.366 18.493 22.191 0.000 0.000 -0.000 3/37908 170.0 18.468 16.735 20.095 0.000 0.000 -0.000 3/37908 180.0 16.895 15.278 18.358 0.000 0.000 -0.000 3/37908 190.0 15.573 14.054 16.898 0.000 0.000 -0.000 3/37908 200.0 14.447 13.011 15.656 0.000 0.000 -0.000 3/37908 210.0 13.477 12.115 14.587 0.000 0.000 -0.000 3/37908 220.0 12.634 11.335 13.657 0.000 0.000 -0.000 3/37908 230.0 11.894 10.652 12.842 0.000 0.000 -0.000 3/37908 240.0 11.240 10.049 12.121 0.000 0.000 -0.000 3/37908 250.0 10.657 9.512 11.480 0.000 0.000 -0.000 3/37908 260.0 10.134 9.032 10.906 0.000 0.000 -0.000 3/37908 270.0 9.663 8.599 10.388 0.000 0.000 -0.000 3/37908 280.0 9.235 8.208 9.919 0.000 0.000 -0.000 3/37908 290.0 8.846 7.852 9.493 0.000 0.000 -0.000 3/37908 300.0 8.490 7.526 9.103 0.000 0.000 -0.000 3/37908 310.0 8.163 7.228 8.745 0.000 0.000 -0.000 3/37908 320.0 7.861 6.953 8.415 0.000 0.000 -0.000 3/37908 330.0 7.582 6.700 8.111 0.000 0.000 -0.000 3/37908 340.0 7.323 6.464 7.828 0.000 0.000 -0.000 3/37908 350.0 7.082 6.246 7.566 0.000 0.000 -0.000 3/37908 360.0 6.858 6.042 7.321 0.000 0.000 -0.000 3/37908 370.0 6.647 5.852 7.092 0.000 0.000 -0.000 3/37908 380.0 6.450 5.674 6.878 0.000 0.000 -0.000 3/37908 390.0 6.265 5.507 6.676 0.000 0.000 -0.000 3/37908 400.0 6.090 5.350 6.487 0.000 0.000 -0.000 3/37908 410.0 5.925 5.202 6.309 0.000 0.000 -0.000 3/37908 420.0 5.770 5.062 6.140 0.000 0.000 -0.000 3/37908 430.0 5.623 4.930 5.981 0.000 0.000 -0.000 3/37908 440.0 5.483 4.804 5.829 0.000 0.000 -0.000 3/37908 450.0 5.350 4.685 5.686 0.000 0.000 -0.000 3/37908 460.0 5.224 4.573 5.550 0.000 0.000 -0.000 3/37908 470.0 5.104 4.465 5.420 0.000 0.000 -0.000 3/37908 480.0 4.989 4.363 5.297 0.000 0.000 -0.000 3/37908 490.0 4.880 4.265 5.179 0.000 0.000 -0.000 3/37908 500.0 4.775 4.172 5.066 0.000 0.000 -0.000 3/37908 510.0 4.675 4.083 4.959 0.000 0.000 -0.000 3/37908 520.0 4.580 3.998 4.856 0.000 0.000 -0.000 3/37908 530.0 4.488 3.916 4.757 0.000 0.000 -0.000 3/37908 540.0 4.400 3.838 4.663 0.000 0.000 -0.000 3/37908 550.0 4.315 3.763 4.572 0.000 0.000 -0.000 3/37908 560.0 4.234 3.691 4.485 0.000 0.000 -0.000 3/37908 570.0 4.155 3.622 4.401 0.000 0.000 -0.000 3/37908 580.0 4.080 3.555 4.320 0.000 0.000 -0.000 3/37908 590.0 4.008 3.491 4.242 0.000 0.000 -0.000 3/37908 600.0 3.938 3.429 4.167 0.000 0.000 -0.000 3/37908 610.0 3.870 3.369 4.095 0.000 0.000 -0.000 3/37908 620.0 3.805 3.312 4.025 0.000 0.000 -0.000 3/37908 630.0 3.742 3.256 3.958 0.000 0.000 -0.000 3/37908 640.0 3.681 3.202 3.893 0.000 0.000 -0.000 3/37908 650.0 3.622 3.150 3.830 0.000 0.000 -0.000 3/37908 660.0 3.565 3.100 3.769 0.000 0.000 -0.000 3/37908 670.0 3.510 3.052 3.710 0.000 0.000 -0.000 3/37908 680.0 3.456 3.004 3.653 0.000 0.000 -0.000 3/37908 690.0 3.405 2.959 3.598 0.000 0.000 -0.000 3/37908 700.0 3.354 2.915 3.544 0.000 0.000 -0.000 3/37908 710.0 3.305 2.872 3.492 0.000 0.000 -0.000 3/37908 720.0 3.258 2.830 3.442 0.000 0.000 -0.000 3/37908 730.0 3.212 2.790 3.393 0.000 0.000 -0.000 3/37908 740.0 3.167 2.750 3.345 0.000 0.000 -0.000 3/37908 750.0 3.124 2.712 3.299 0.000 0.000 -0.000 3/37908 760.0 3.082 2.675 3.254 0.000 0.000 -0.000 3/37908 770.0 3.040 2.639 3.210 0.000 0.000 -0.000 3/37908 780.0 3.000 2.604 3.167 0.000 0.000 -0.000 3/37908 790.0 2.961 2.570 3.126 0.000 0.000 -0.000 3/37908 800.0 2.923 2.537 3.086 0.000 0.000 -0.000 3/37908 810.0 2.886 2.504 3.046 0.000 0.000 -0.000 3/37908 820.0 2.850 2.473 3.008 0.000 0.000 -0.000 3/37908 830.0 2.815 2.442 2.971 0.000 0.000 -0.000 3/37908 840.0 2.781 2.412 2.934 0.000 0.000 -0.000 3/37908 850.0 2.748 2.383 2.899 0.000 0.000 -0.000 3/37908 860.0 2.715 2.354 2.864 0.000 0.000 -0.000 3/37908 870.0 2.683 2.326 2.830 0.000 0.000 -0.000 3/37908 880.0 2.652 2.299 2.797 0.000 0.000 -0.000 3/37908 890.0 2.622 2.272 2.765 0.000 0.000 -0.000 3/37908 900.0 2.592 2.246 2.733 0.000 0.000 -0.000 3/37908 910.0 2.563 2.221 2.703 0.000 0.000 -0.000 3/37908 920.0 2.534 2.196 2.672 0.000 0.000 -0.000 3/37908 930.0 2.507 2.172 2.643 0.000 0.000 -0.000 3/37908 940.0 2.480 2.148 2.614 0.000 0.000 -0.000 3/37908 950.0 2.453 2.125 2.586 0.000 0.000 -0.000 3/37908 960.0 2.427 2.102 2.559 0.000 0.000 -0.000 3/37908 970.0 2.402 2.080 2.532 0.000 0.000 -0.000 3/37908 980.0 2.377 2.059 2.505 0.000 0.000 -0.000 3/37908 990.0 2.352 2.037 2.479 0.000 0.000 -0.000 3/37908 1000.0 2.328 2.016 2.454 0.000 0.000 -0.000 3/37908 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:16:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|