----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:22:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.419976990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.954268040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.807751800000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *5 O 0.66870152016777 0.53817247859633 0.78406974641272 15.999 6 O 0.33129847983223 0.46182752140367 0.21593025358728 15.999 7 O 0.16870152016777 0.53817247859633 0.71593025358728 15.999 8 O 0.66870152016777 0.96182752140367 0.78406974641272 15.999 9 O 0.83129847983223 0.03817247859633 0.28406974641272 15.999 *10 O 0.90093645203459 0.25000000000000 0.76990528214701 15.999 11 O 0.83129847983223 0.46182752140367 0.28406974641272 15.999 12 O 0.33129847983223 0.03817247859633 0.21593025358728 15.999 13 O 0.09906354796541 0.75000000000000 0.23009471785299 15.999 14 O 0.40093645203459 0.25000000000000 0.73009471785299 15.999 *15 O 0.44683314794770 0.75000000000000 0.80100988674867 15.999 16 O 0.59906354796541 0.75000000000000 0.26990528214701 15.999 17 O 0.94683314794770 0.75000000000000 0.69899011325133 15.999 18 O 0.05316685205230 0.25000000000000 0.30100988674867 15.999 19 O 0.55316685205230 0.25000000000000 0.19899011325133 15.999 20 O 0.16870152016777 0.96182752140367 0.71593025358728 15.999 *21 Si 0.09057410645280 0.75000000000000 0.56554998566853 28.085 22 Si 0.90942589354720 0.25000000000000 0.43445001433147 28.085 23 Si 0.59057410645280 0.75000000000000 0.93445001433147 28.085 24 Si 0.40942589354720 0.25000000000000 0.06554998566853 28.085 *25 Sc 0.22598128034263 0.25000000000000 0.50476020926791 44.956 26 Sc 0.72598128034263 0.25000000000000 0.99523979073209 44.956 27 Sc 0.77401871965737 0.75000000000000 0.49523979073209 44.956 28 Sc 0.27401871965737 0.75000000000000 0.00476020926791 44.956 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.419976990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.954268040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.807751800000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 2 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 3 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 4 *5 O 0.66870152016777 0.53817247859633 0.78406974641272 15.999 > 5 6 O 0.33129847983223 0.46182752140367 0.21593025358728 15.999 > 6 7 O 0.16870152016777 0.53817247859633 0.71593025358728 15.999 > 7 8 O 0.66870152016777 0.96182752140367 0.78406974641272 15.999 > 8 9 O 0.83129847983223 0.03817247859633 0.28406974641272 15.999 > 9 *10 O 0.90093645203459 0.25000000000000 0.76990528214701 15.999 > 10 11 O 0.83129847983223 0.46182752140367 0.28406974641272 15.999 > 11 12 O 0.33129847983223 0.03817247859633 0.21593025358728 15.999 > 12 13 O 0.09906354796541 0.75000000000000 0.23009471785299 15.999 > 13 14 O 0.40093645203459 0.25000000000000 0.73009471785299 15.999 > 14 *15 O 0.44683314794770 0.75000000000000 0.80100988674867 15.999 > 15 16 O 0.59906354796541 0.75000000000000 0.26990528214701 15.999 > 16 17 O 0.94683314794770 0.75000000000000 0.69899011325133 15.999 > 17 18 O 0.05316685205230 0.25000000000000 0.30100988674867 15.999 > 18 19 O 0.55316685205230 0.25000000000000 0.19899011325133 15.999 > 19 20 O 0.16870152016777 0.96182752140367 0.71593025358728 15.999 > 20 *21 Si 0.09057410645280 0.75000000000000 0.56554998566853 28.085 > 21 22 Si 0.90942589354720 0.25000000000000 0.43445001433147 28.085 > 22 23 Si 0.59057410645280 0.75000000000000 0.93445001433147 28.085 > 23 24 Si 0.40942589354720 0.25000000000000 0.06554998566853 28.085 > 24 *25 Sc 0.22598128034263 0.25000000000000 0.50476020926791 44.956 > 25 26 Sc 0.72598128034263 0.25000000000000 0.99523979073209 44.956 > 26 27 Sc 0.77401871965737 0.75000000000000 0.49523979073209 44.956 > 27 28 Sc 0.27401871965737 0.75000000000000 0.00476020926791 44.956 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.419976990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.908536079999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.615503600000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 2 6 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 2 7 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 2 8 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 2 9 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 3 10 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 3 11 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 3 12 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 3 13 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 4 14 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 4 15 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 4 16 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 4 *17 O 0.66870152016777 0.26908623929816 0.39203487320636 15.999 > 5 18 O 0.66870152016777 0.76908623929816 0.39203487320636 15.999 > 5 19 O 0.66870152016777 0.26908623929816 0.89203487320636 15.999 > 5 20 O 0.66870152016777 0.76908623929816 0.89203487320636 15.999 > 5 21 O 0.33129847983223 0.23091376070184 0.10796512679364 15.999 > 6 22 O 0.33129847983223 0.73091376070184 0.10796512679364 15.999 > 6 23 O 0.33129847983223 0.23091376070184 0.60796512679364 15.999 > 6 24 O 0.33129847983223 0.73091376070184 0.60796512679364 15.999 > 6 25 O 0.16870152016777 0.26908623929816 0.35796512679364 15.999 > 7 26 O 0.16870152016777 0.76908623929816 0.35796512679364 15.999 > 7 27 O 0.16870152016777 0.26908623929816 0.85796512679364 15.999 > 7 28 O 0.16870152016777 0.76908623929816 0.85796512679364 15.999 > 7 29 O 0.66870152016777 0.48091376070184 0.39203487320636 15.999 > 8 30 O 0.66870152016777 0.98091376070184 0.39203487320636 15.999 > 8 31 O 0.66870152016777 0.48091376070184 0.89203487320636 15.999 > 8 32 O 0.66870152016777 0.98091376070184 0.89203487320636 15.999 > 8 33 O 0.83129847983223 0.01908623929816 0.14203487320636 15.999 > 9 34 O 0.83129847983223 0.51908623929816 0.14203487320636 15.999 > 9 35 O 0.83129847983223 0.01908623929816 0.64203487320636 15.999 > 9 36 O 0.83129847983223 0.51908623929816 0.64203487320636 15.999 > 9 *37 O 0.90093645203459 0.12500000000000 0.38495264107350 15.999 > 10 38 O 0.90093645203459 0.62500000000000 0.38495264107350 15.999 > 10 39 O 0.90093645203459 0.12500000000000 0.88495264107350 15.999 > 10 40 O 0.90093645203459 0.62500000000000 0.88495264107350 15.999 > 10 41 O 0.83129847983223 0.23091376070184 0.14203487320636 15.999 > 11 42 O 0.83129847983223 0.73091376070184 0.14203487320636 15.999 > 11 43 O 0.83129847983223 0.23091376070184 0.64203487320636 15.999 > 11 44 O 0.83129847983223 0.73091376070184 0.64203487320636 15.999 > 11 45 O 0.33129847983223 0.01908623929816 0.10796512679364 15.999 > 12 46 O 0.33129847983223 0.51908623929816 0.10796512679364 15.999 > 12 47 O 0.33129847983223 0.01908623929816 0.60796512679364 15.999 > 12 48 O 0.33129847983223 0.51908623929816 0.60796512679364 15.999 > 12 49 O 0.09906354796541 0.37500000000000 0.11504735892650 15.999 > 13 50 O 0.09906354796541 0.87500000000000 0.11504735892650 15.999 > 13 51 O 0.09906354796541 0.37500000000000 0.61504735892650 15.999 > 13 52 O 0.09906354796541 0.87500000000000 0.61504735892650 15.999 > 13 53 O 0.40093645203459 0.12500000000000 0.36504735892650 15.999 > 14 54 O 0.40093645203459 0.62500000000000 0.36504735892650 15.999 > 14 55 O 0.40093645203459 0.12500000000000 0.86504735892650 15.999 > 14 56 O 0.40093645203459 0.62500000000000 0.86504735892650 15.999 > 14 *57 O 0.44683314794770 0.37500000000000 0.40050494337433 15.999 > 15 58 O 0.44683314794770 0.87500000000000 0.40050494337433 15.999 > 15 59 O 0.44683314794770 0.37500000000000 0.90050494337433 15.999 > 15 60 O 0.44683314794770 0.87500000000000 0.90050494337433 15.999 > 15 61 O 0.59906354796541 0.37500000000000 0.13495264107350 15.999 > 16 62 O 0.59906354796541 0.87500000000000 0.13495264107350 15.999 > 16 63 O 0.59906354796541 0.37500000000000 0.63495264107350 15.999 > 16 64 O 0.59906354796541 0.87500000000000 0.63495264107350 15.999 > 16 65 O 0.94683314794770 0.37500000000000 0.34949505662567 15.999 > 17 66 O 0.94683314794770 0.87500000000000 0.34949505662567 15.999 > 17 67 O 0.94683314794770 0.37500000000000 0.84949505662567 15.999 > 17 68 O 0.94683314794770 0.87500000000000 0.84949505662567 15.999 > 17 69 O 0.05316685205230 0.12500000000000 0.15050494337433 15.999 > 18 70 O 0.05316685205230 0.62500000000000 0.15050494337433 15.999 > 18 71 O 0.05316685205230 0.12500000000000 0.65050494337433 15.999 > 18 72 O 0.05316685205230 0.62500000000000 0.65050494337433 15.999 > 18 73 O 0.55316685205230 0.12500000000000 0.09949505662567 15.999 > 19 74 O 0.55316685205230 0.62500000000000 0.09949505662567 15.999 > 19 75 O 0.55316685205230 0.12500000000000 0.59949505662567 15.999 > 19 76 O 0.55316685205230 0.62500000000000 0.59949505662567 15.999 > 19 77 O 0.16870152016777 0.48091376070184 0.35796512679364 15.999 > 20 78 O 0.16870152016777 0.98091376070184 0.35796512679364 15.999 > 20 79 O 0.16870152016777 0.48091376070184 0.85796512679364 15.999 > 20 80 O 0.16870152016777 0.98091376070184 0.85796512679364 15.999 > 20 *81 Si 0.09057410645280 0.37500000000000 0.28277499283426 28.085 > 21 82 Si 0.09057410645280 0.87500000000000 0.28277499283426 28.085 > 21 83 Si 0.09057410645280 0.37500000000000 0.78277499283426 28.085 > 21 84 Si 0.09057410645280 0.87500000000000 0.78277499283426 28.085 > 21 85 Si 0.90942589354720 0.12500000000000 0.21722500716574 28.085 > 22 86 Si 0.90942589354720 0.62500000000000 0.21722500716574 28.085 > 22 87 Si 0.90942589354720 0.12500000000000 0.71722500716574 28.085 > 22 88 Si 0.90942589354720 0.62500000000000 0.71722500716574 28.085 > 22 89 Si 0.59057410645280 0.37500000000000 0.46722500716574 28.085 > 23 90 Si 0.59057410645280 0.87500000000000 0.46722500716574 28.085 > 23 91 Si 0.59057410645280 0.37500000000000 0.96722500716574 28.085 > 23 92 Si 0.59057410645280 0.87500000000000 0.96722500716574 28.085 > 23 93 Si 0.40942589354720 0.12500000000000 0.03277499283426 28.085 > 24 94 Si 0.40942589354720 0.62500000000000 0.03277499283426 28.085 > 24 95 Si 0.40942589354720 0.12500000000000 0.53277499283426 28.085 > 24 96 Si 0.40942589354720 0.62500000000000 0.53277499283426 28.085 > 24 *97 Sc 0.22598128034263 0.12500000000000 0.25238010463396 44.956 > 25 98 Sc 0.22598128034263 0.62500000000000 0.25238010463396 44.956 > 25 99 Sc 0.22598128034263 0.12500000000000 0.75238010463396 44.956 > 25 100 Sc 0.22598128034263 0.62500000000000 0.75238010463396 44.956 > 25 101 Sc 0.72598128034263 0.12500000000000 0.49761989536604 44.956 > 26 102 Sc 0.72598128034263 0.62500000000000 0.49761989536604 44.956 > 26 103 Sc 0.72598128034263 0.12500000000000 0.99761989536604 44.956 > 26 104 Sc 0.72598128034263 0.62500000000000 0.99761989536604 44.956 > 26 105 Sc 0.77401871965737 0.37500000000000 0.24761989536604 44.956 > 27 106 Sc 0.77401871965737 0.87500000000000 0.24761989536604 44.956 > 27 107 Sc 0.77401871965737 0.37500000000000 0.74761989536604 44.956 > 27 108 Sc 0.77401871965737 0.87500000000000 0.74761989536604 44.956 > 27 109 Sc 0.27401871965737 0.37500000000000 0.00238010463396 44.956 > 28 110 Sc 0.27401871965737 0.87500000000000 0.00238010463396 44.956 > 28 111 Sc 0.27401871965737 0.37500000000000 0.50238010463396 44.956 > 28 112 Sc 0.27401871965737 0.87500000000000 0.50238010463396 44.956 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5750751 0.0000000 0.0000000 0.0000000 3.5181804 0.0000000 0.0000000 0.0000000 3.3612904 -------------------------- Born effective charges -------------------------- 1 Li 1.1090939 -0.1605839 0.0553367 -0.1096510 1.0434156 0.0729168 -0.0046047 0.1280177 1.2448562 2 Li 1.1090939 -0.1605839 -0.0553367 -0.1096510 1.0434156 -0.0729168 0.0046047 -0.1280177 1.2448562 3 Li 1.1090939 0.1605839 0.0553367 0.1096510 1.0434156 -0.0729168 -0.0046047 -0.1280177 1.2448562 4 Li 1.1090939 0.1605839 -0.0553367 0.1096510 1.0434156 0.0729168 0.0046047 0.1280177 1.2448562 5 O -1.7297536 0.2699801 0.2748887 0.3293832 -2.6447101 0.4479842 0.3159206 0.4037334 -1.8622142 6 O -1.7297536 0.2699801 0.2748887 0.3293832 -2.6447101 0.4479842 0.3159206 0.4037334 -1.8622142 7 O -1.7297536 0.2699801 -0.2748887 0.3293832 -2.6447101 -0.4479842 -0.3159206 -0.4037334 -1.8622142 8 O -1.7297536 -0.2699801 0.2748887 -0.3293832 -2.6447101 -0.4479842 0.3159206 -0.4037334 -1.8622142 9 O -1.7297536 -0.2699801 -0.2748887 -0.3293832 -2.6447101 0.4479842 -0.3159206 0.4037334 -1.8622142 10 O -1.9576369 0.0000000 0.5113211 0.0000000 -1.3807015 0.0000000 0.4861942 0.0000000 -2.4363825 11 O -1.7297536 0.2699801 -0.2748887 0.3293832 -2.6447101 -0.4479842 -0.3159206 -0.4037334 -1.8622142 12 O -1.7297536 -0.2699801 0.2748887 -0.3293832 -2.6447101 -0.4479842 0.3159206 -0.4037334 -1.8622142 13 O -1.9576369 0.0000000 0.5113211 0.0000000 -1.3807015 0.0000000 0.4861942 0.0000000 -2.4363825 14 O -1.9576369 0.0000000 -0.5113211 0.0000000 -1.3807015 0.0000000 -0.4861942 0.0000000 -2.4363825 15 O -3.0597461 0.0000000 0.1659682 0.0000000 -1.4537316 0.0000000 0.2322009 0.0000000 -1.5316809 16 O -1.9576369 0.0000000 -0.5113211 0.0000000 -1.3807015 0.0000000 -0.4861942 0.0000000 -2.4363825 17 O -3.0597461 0.0000000 -0.1659682 0.0000000 -1.4537316 0.0000000 -0.2322009 0.0000000 -1.5316809 18 O -3.0597461 0.0000000 -0.1659682 0.0000000 -1.4537316 0.0000000 -0.2322009 0.0000000 -1.5316809 19 O -3.0597461 0.0000000 0.1659682 0.0000000 -1.4537316 0.0000000 0.2322009 0.0000000 -1.5316809 20 O -1.7297536 -0.2699801 -0.2748887 -0.3293832 -2.6447101 0.4479842 -0.3159206 0.4037334 -1.8622142 21 Si 3.3998935 0.0000000 -0.2770166 0.0000000 3.0337020 0.0000000 0.1891644 0.0000000 3.0093877 22 Si 3.3998935 0.0000000 -0.2770166 0.0000000 3.0337020 0.0000000 0.1891644 0.0000000 3.0093877 23 Si 3.3998935 0.0000000 0.2770166 0.0000000 3.0337020 0.0000000 -0.1891644 0.0000000 3.0093877 24 Si 3.3998935 0.0000000 0.2770166 0.0000000 3.0337020 0.0000000 -0.1891644 0.0000000 3.0093877 25 Sc 3.9679027 0.0000000 0.2021593 0.0000000 4.0467359 0.0000000 -0.0399406 0.0000000 3.4382478 26 Sc 3.9679027 0.0000000 -0.2021593 0.0000000 4.0467359 0.0000000 0.0399406 0.0000000 3.4382478 27 Sc 3.9679027 0.0000000 0.2021593 0.0000000 4.0467359 0.0000000 -0.0399406 0.0000000 3.4382478 28 Sc 3.9679027 0.0000000 -0.2021593 0.0000000 4.0467359 0.0000000 0.0399406 0.0000000 3.4382478 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.053 Solver_block: 200 / 480 - Time: 3.072 Solver_block: 300 / 480 - Time: 3.069 Solver_block: 400 / 480 - Time: 3.072 Solver_block: 480 / 480 - Time: 2.483 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.797 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), 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 2026-01-07 21:23:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:23:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.419976990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.954268040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.807751800000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 5 O 0.66870152016777 0.53817247859633 0.78406974641272 15.999 6 O 0.33129847983223 0.46182752140367 0.21593025358728 15.999 7 O 0.16870152016777 0.53817247859633 0.71593025358728 15.999 8 O 0.66870152016777 0.96182752140367 0.78406974641272 15.999 9 O 0.83129847983223 0.03817247859633 0.28406974641272 15.999 10 O 0.90093645203459 0.25000000000000 0.76990528214701 15.999 11 O 0.83129847983223 0.46182752140367 0.28406974641272 15.999 12 O 0.33129847983223 0.03817247859633 0.21593025358728 15.999 13 O 0.09906354796541 0.75000000000000 0.23009471785299 15.999 14 O 0.40093645203459 0.25000000000000 0.73009471785299 15.999 15 O 0.44683314794770 0.75000000000000 0.80100988674867 15.999 16 O 0.59906354796541 0.75000000000000 0.26990528214701 15.999 17 O 0.94683314794770 0.75000000000000 0.69899011325133 15.999 18 O 0.05316685205230 0.25000000000000 0.30100988674867 15.999 19 O 0.55316685205230 0.25000000000000 0.19899011325133 15.999 20 O 0.16870152016777 0.96182752140367 0.71593025358728 15.999 21 Si 0.09057410645280 0.75000000000000 0.56554998566853 28.085 22 Si 0.90942589354720 0.25000000000000 0.43445001433147 28.085 23 Si 0.59057410645280 0.75000000000000 0.93445001433147 28.085 24 Si 0.40942589354720 0.25000000000000 0.06554998566853 28.085 25 Sc 0.22598128034263 0.25000000000000 0.50476020926791 44.956 26 Sc 0.72598128034263 0.25000000000000 0.99523979073209 44.956 27 Sc 0.77401871965737 0.75000000000000 0.49523979073209 44.956 28 Sc 0.27401871965737 0.75000000000000 0.00476020926791 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.419976990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.908536079999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.615503600000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 9 10 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 9 11 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 9 12 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 9 13 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 13 14 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 13 15 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 13 16 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 13 17 O 0.66870152016777 0.26908623929816 0.39203487320636 15.999 > 17 18 O 0.66870152016777 0.76908623929816 0.39203487320636 15.999 > 17 19 O 0.66870152016777 0.26908623929816 0.89203487320636 15.999 > 17 20 O 0.66870152016777 0.76908623929816 0.89203487320636 15.999 > 17 21 O 0.33129847983223 0.23091376070184 0.10796512679364 15.999 > 21 22 O 0.33129847983223 0.73091376070184 0.10796512679364 15.999 > 21 23 O 0.33129847983223 0.23091376070184 0.60796512679364 15.999 > 21 24 O 0.33129847983223 0.73091376070184 0.60796512679364 15.999 > 21 25 O 0.16870152016777 0.26908623929816 0.35796512679364 15.999 > 25 26 O 0.16870152016777 0.76908623929816 0.35796512679364 15.999 > 25 27 O 0.16870152016777 0.26908623929816 0.85796512679364 15.999 > 25 28 O 0.16870152016777 0.76908623929816 0.85796512679364 15.999 > 25 29 O 0.66870152016777 0.48091376070184 0.39203487320636 15.999 > 29 30 O 0.66870152016777 0.98091376070184 0.39203487320636 15.999 > 29 31 O 0.66870152016777 0.48091376070184 0.89203487320636 15.999 > 29 32 O 0.66870152016777 0.98091376070184 0.89203487320636 15.999 > 29 33 O 0.83129847983223 0.01908623929816 0.14203487320636 15.999 > 33 34 O 0.83129847983223 0.51908623929816 0.14203487320636 15.999 > 33 35 O 0.83129847983223 0.01908623929816 0.64203487320636 15.999 > 33 36 O 0.83129847983223 0.51908623929816 0.64203487320636 15.999 > 33 37 O 0.90093645203459 0.12500000000000 0.38495264107350 15.999 > 37 38 O 0.90093645203459 0.62500000000000 0.38495264107350 15.999 > 37 39 O 0.90093645203459 0.12500000000000 0.88495264107350 15.999 > 37 40 O 0.90093645203459 0.62500000000000 0.88495264107350 15.999 > 37 41 O 0.83129847983223 0.23091376070184 0.14203487320636 15.999 > 41 42 O 0.83129847983223 0.73091376070184 0.14203487320636 15.999 > 41 43 O 0.83129847983223 0.23091376070184 0.64203487320636 15.999 > 41 44 O 0.83129847983223 0.73091376070184 0.64203487320636 15.999 > 41 45 O 0.33129847983223 0.01908623929816 0.10796512679364 15.999 > 45 46 O 0.33129847983223 0.51908623929816 0.10796512679364 15.999 > 45 47 O 0.33129847983223 0.01908623929816 0.60796512679364 15.999 > 45 48 O 0.33129847983223 0.51908623929816 0.60796512679364 15.999 > 45 49 O 0.09906354796541 0.37500000000000 0.11504735892650 15.999 > 49 50 O 0.09906354796541 0.87500000000000 0.11504735892650 15.999 > 49 51 O 0.09906354796541 0.37500000000000 0.61504735892650 15.999 > 49 52 O 0.09906354796541 0.87500000000000 0.61504735892650 15.999 > 49 53 O 0.40093645203459 0.12500000000000 0.36504735892650 15.999 > 53 54 O 0.40093645203459 0.62500000000000 0.36504735892650 15.999 > 53 55 O 0.40093645203459 0.12500000000000 0.86504735892650 15.999 > 53 56 O 0.40093645203459 0.62500000000000 0.86504735892650 15.999 > 53 57 O 0.44683314794770 0.37500000000000 0.40050494337433 15.999 > 57 58 O 0.44683314794770 0.87500000000000 0.40050494337433 15.999 > 57 59 O 0.44683314794770 0.37500000000000 0.90050494337433 15.999 > 57 60 O 0.44683314794770 0.87500000000000 0.90050494337433 15.999 > 57 61 O 0.59906354796541 0.37500000000000 0.13495264107350 15.999 > 61 62 O 0.59906354796541 0.87500000000000 0.13495264107350 15.999 > 61 63 O 0.59906354796541 0.37500000000000 0.63495264107350 15.999 > 61 64 O 0.59906354796541 0.87500000000000 0.63495264107350 15.999 > 61 65 O 0.94683314794770 0.37500000000000 0.34949505662567 15.999 > 65 66 O 0.94683314794770 0.87500000000000 0.34949505662567 15.999 > 65 67 O 0.94683314794770 0.37500000000000 0.84949505662567 15.999 > 65 68 O 0.94683314794770 0.87500000000000 0.84949505662567 15.999 > 65 69 O 0.05316685205230 0.12500000000000 0.15050494337433 15.999 > 69 70 O 0.05316685205230 0.62500000000000 0.15050494337433 15.999 > 69 71 O 0.05316685205230 0.12500000000000 0.65050494337433 15.999 > 69 72 O 0.05316685205230 0.62500000000000 0.65050494337433 15.999 > 69 73 O 0.55316685205230 0.12500000000000 0.09949505662567 15.999 > 73 74 O 0.55316685205230 0.62500000000000 0.09949505662567 15.999 > 73 75 O 0.55316685205230 0.12500000000000 0.59949505662567 15.999 > 73 76 O 0.55316685205230 0.62500000000000 0.59949505662567 15.999 > 73 77 O 0.16870152016777 0.48091376070184 0.35796512679364 15.999 > 77 78 O 0.16870152016777 0.98091376070184 0.35796512679364 15.999 > 77 79 O 0.16870152016777 0.48091376070184 0.85796512679364 15.999 > 77 80 O 0.16870152016777 0.98091376070184 0.85796512679364 15.999 > 77 81 Si 0.09057410645280 0.37500000000000 0.28277499283426 28.085 > 81 82 Si 0.09057410645280 0.87500000000000 0.28277499283426 28.085 > 81 83 Si 0.09057410645280 0.37500000000000 0.78277499283426 28.085 > 81 84 Si 0.09057410645280 0.87500000000000 0.78277499283426 28.085 > 81 85 Si 0.90942589354720 0.12500000000000 0.21722500716574 28.085 > 85 86 Si 0.90942589354720 0.62500000000000 0.21722500716574 28.085 > 85 87 Si 0.90942589354720 0.12500000000000 0.71722500716574 28.085 > 85 88 Si 0.90942589354720 0.62500000000000 0.71722500716574 28.085 > 85 89 Si 0.59057410645280 0.37500000000000 0.46722500716574 28.085 > 89 90 Si 0.59057410645280 0.87500000000000 0.46722500716574 28.085 > 89 91 Si 0.59057410645280 0.37500000000000 0.96722500716574 28.085 > 89 92 Si 0.59057410645280 0.87500000000000 0.96722500716574 28.085 > 89 93 Si 0.40942589354720 0.12500000000000 0.03277499283426 28.085 > 93 94 Si 0.40942589354720 0.62500000000000 0.03277499283426 28.085 > 93 95 Si 0.40942589354720 0.12500000000000 0.53277499283426 28.085 > 93 96 Si 0.40942589354720 0.62500000000000 0.53277499283426 28.085 > 93 97 Sc 0.22598128034263 0.12500000000000 0.25238010463396 44.956 > 97 98 Sc 0.22598128034263 0.62500000000000 0.25238010463396 44.956 > 97 99 Sc 0.22598128034263 0.12500000000000 0.75238010463396 44.956 > 97 100 Sc 0.22598128034263 0.62500000000000 0.75238010463396 44.956 > 97 101 Sc 0.72598128034263 0.12500000000000 0.49761989536604 44.956 > 101 102 Sc 0.72598128034263 0.62500000000000 0.49761989536604 44.956 > 101 103 Sc 0.72598128034263 0.12500000000000 0.99761989536604 44.956 > 101 104 Sc 0.72598128034263 0.62500000000000 0.99761989536604 44.956 > 101 105 Sc 0.77401871965737 0.37500000000000 0.24761989536604 44.956 > 105 106 Sc 0.77401871965737 0.87500000000000 0.24761989536604 44.956 > 105 107 Sc 0.77401871965737 0.37500000000000 0.74761989536604 44.956 > 105 108 Sc 0.77401871965737 0.87500000000000 0.74761989536604 44.956 > 105 109 Sc 0.27401871965737 0.37500000000000 0.00238010463396 44.956 > 109 110 Sc 0.27401871965737 0.87500000000000 0.00238010463396 44.956 > 109 111 Sc 0.27401871965737 0.37500000000000 0.50238010463396 44.956 > 109 112 Sc 0.27401871965737 0.87500000000000 0.50238010463396 44.956 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5750751 0.0000000 0.0000000 0.0000000 3.5181804 0.0000000 0.0000000 0.0000000 3.3612904 -------------------------- Born effective charges -------------------------- 1 Li 1.1090939 -0.1605839 0.0553367 -0.1096510 1.0434156 0.0729168 -0.0046047 0.1280177 1.2448562 2 Li 1.1090939 -0.1605839 -0.0553367 -0.1096510 1.0434156 -0.0729168 0.0046047 -0.1280177 1.2448562 3 Li 1.1090939 0.1605839 0.0553367 0.1096510 1.0434156 -0.0729168 -0.0046047 -0.1280177 1.2448562 4 Li 1.1090939 0.1605839 -0.0553367 0.1096510 1.0434156 0.0729168 0.0046047 0.1280177 1.2448562 5 O -1.7297536 0.2699801 0.2748887 0.3293832 -2.6447101 0.4479842 0.3159206 0.4037334 -1.8622142 6 O -1.7297536 0.2699801 0.2748887 0.3293832 -2.6447101 0.4479842 0.3159206 0.4037334 -1.8622142 7 O -1.7297536 0.2699801 -0.2748887 0.3293832 -2.6447101 -0.4479842 -0.3159206 -0.4037334 -1.8622142 8 O -1.7297536 -0.2699801 0.2748887 -0.3293832 -2.6447101 -0.4479842 0.3159206 -0.4037334 -1.8622142 9 O -1.7297536 -0.2699801 -0.2748887 -0.3293832 -2.6447101 0.4479842 -0.3159206 0.4037334 -1.8622142 10 O -1.9576369 0.0000000 0.5113211 0.0000000 -1.3807015 0.0000000 0.4861942 0.0000000 -2.4363825 11 O -1.7297536 0.2699801 -0.2748887 0.3293832 -2.6447101 -0.4479842 -0.3159206 -0.4037334 -1.8622142 12 O -1.7297536 -0.2699801 0.2748887 -0.3293832 -2.6447101 -0.4479842 0.3159206 -0.4037334 -1.8622142 13 O -1.9576369 0.0000000 0.5113211 0.0000000 -1.3807015 0.0000000 0.4861942 0.0000000 -2.4363825 14 O -1.9576369 0.0000000 -0.5113211 0.0000000 -1.3807015 0.0000000 -0.4861942 0.0000000 -2.4363825 15 O -3.0597461 0.0000000 0.1659682 0.0000000 -1.4537316 0.0000000 0.2322009 0.0000000 -1.5316809 16 O -1.9576369 0.0000000 -0.5113211 0.0000000 -1.3807015 0.0000000 -0.4861942 0.0000000 -2.4363825 17 O -3.0597461 0.0000000 -0.1659682 0.0000000 -1.4537316 0.0000000 -0.2322009 0.0000000 -1.5316809 18 O -3.0597461 0.0000000 -0.1659682 0.0000000 -1.4537316 0.0000000 -0.2322009 0.0000000 -1.5316809 19 O -3.0597461 0.0000000 0.1659682 0.0000000 -1.4537316 0.0000000 0.2322009 0.0000000 -1.5316809 20 O -1.7297536 -0.2699801 -0.2748887 -0.3293832 -2.6447101 0.4479842 -0.3159206 0.4037334 -1.8622142 21 Si 3.3998935 0.0000000 -0.2770166 0.0000000 3.0337020 0.0000000 0.1891644 0.0000000 3.0093877 22 Si 3.3998935 0.0000000 -0.2770166 0.0000000 3.0337020 0.0000000 0.1891644 0.0000000 3.0093877 23 Si 3.3998935 0.0000000 0.2770166 0.0000000 3.0337020 0.0000000 -0.1891644 0.0000000 3.0093877 24 Si 3.3998935 0.0000000 0.2770166 0.0000000 3.0337020 0.0000000 -0.1891644 0.0000000 3.0093877 25 Sc 3.9679027 0.0000000 0.2021593 0.0000000 4.0467359 0.0000000 -0.0399406 0.0000000 3.4382478 26 Sc 3.9679027 0.0000000 -0.2021593 0.0000000 4.0467359 0.0000000 0.0399406 0.0000000 3.4382478 27 Sc 3.9679027 0.0000000 0.2021593 0.0000000 4.0467359 0.0000000 -0.0399406 0.0000000 3.4382478 28 Sc 3.9679027 0.0000000 -0.2021593 0.0000000 4.0467359 0.0000000 0.0399406 0.0000000 3.4382478 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000003 (xzx) 0.00000003 (xzx) 0.00000003 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (yz) 0.00000005 (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 2026-01-07 21:23:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:23:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.419976990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.954268040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.807751800000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 5 O 0.66870152016777 0.53817247859633 0.78406974641272 15.999 6 O 0.33129847983223 0.46182752140367 0.21593025358728 15.999 7 O 0.16870152016777 0.53817247859633 0.71593025358728 15.999 8 O 0.66870152016777 0.96182752140367 0.78406974641272 15.999 9 O 0.83129847983223 0.03817247859633 0.28406974641272 15.999 10 O 0.90093645203459 0.25000000000000 0.76990528214701 15.999 11 O 0.83129847983223 0.46182752140367 0.28406974641272 15.999 12 O 0.33129847983223 0.03817247859633 0.21593025358728 15.999 13 O 0.09906354796541 0.75000000000000 0.23009471785299 15.999 14 O 0.40093645203459 0.25000000000000 0.73009471785299 15.999 15 O 0.44683314794770 0.75000000000000 0.80100988674867 15.999 16 O 0.59906354796541 0.75000000000000 0.26990528214701 15.999 17 O 0.94683314794770 0.75000000000000 0.69899011325133 15.999 18 O 0.05316685205230 0.25000000000000 0.30100988674867 15.999 19 O 0.55316685205230 0.25000000000000 0.19899011325133 15.999 20 O 0.16870152016777 0.96182752140367 0.71593025358728 15.999 21 Si 0.09057410645280 0.75000000000000 0.56554998566853 28.085 22 Si 0.90942589354720 0.25000000000000 0.43445001433147 28.085 23 Si 0.59057410645280 0.75000000000000 0.93445001433147 28.085 24 Si 0.40942589354720 0.25000000000000 0.06554998566853 28.085 25 Sc 0.22598128034263 0.25000000000000 0.50476020926791 44.956 26 Sc 0.72598128034263 0.25000000000000 0.99523979073209 44.956 27 Sc 0.77401871965737 0.75000000000000 0.49523979073209 44.956 28 Sc 0.27401871965737 0.75000000000000 0.00476020926791 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.419976990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.908536079999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.615503600000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 9 10 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 9 11 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 9 12 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 9 13 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 13 14 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 13 15 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 13 16 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 13 17 O 0.66870152016777 0.26908623929816 0.39203487320636 15.999 > 17 18 O 0.66870152016777 0.76908623929816 0.39203487320636 15.999 > 17 19 O 0.66870152016777 0.26908623929816 0.89203487320636 15.999 > 17 20 O 0.66870152016777 0.76908623929816 0.89203487320636 15.999 > 17 21 O 0.33129847983223 0.23091376070184 0.10796512679364 15.999 > 21 22 O 0.33129847983223 0.73091376070184 0.10796512679364 15.999 > 21 23 O 0.33129847983223 0.23091376070184 0.60796512679364 15.999 > 21 24 O 0.33129847983223 0.73091376070184 0.60796512679364 15.999 > 21 25 O 0.16870152016777 0.26908623929816 0.35796512679364 15.999 > 25 26 O 0.16870152016777 0.76908623929816 0.35796512679364 15.999 > 25 27 O 0.16870152016777 0.26908623929816 0.85796512679364 15.999 > 25 28 O 0.16870152016777 0.76908623929816 0.85796512679364 15.999 > 25 29 O 0.66870152016777 0.48091376070184 0.39203487320636 15.999 > 29 30 O 0.66870152016777 0.98091376070184 0.39203487320636 15.999 > 29 31 O 0.66870152016777 0.48091376070184 0.89203487320636 15.999 > 29 32 O 0.66870152016777 0.98091376070184 0.89203487320636 15.999 > 29 33 O 0.83129847983223 0.01908623929816 0.14203487320636 15.999 > 33 34 O 0.83129847983223 0.51908623929816 0.14203487320636 15.999 > 33 35 O 0.83129847983223 0.01908623929816 0.64203487320636 15.999 > 33 36 O 0.83129847983223 0.51908623929816 0.64203487320636 15.999 > 33 37 O 0.90093645203459 0.12500000000000 0.38495264107350 15.999 > 37 38 O 0.90093645203459 0.62500000000000 0.38495264107350 15.999 > 37 39 O 0.90093645203459 0.12500000000000 0.88495264107350 15.999 > 37 40 O 0.90093645203459 0.62500000000000 0.88495264107350 15.999 > 37 41 O 0.83129847983223 0.23091376070184 0.14203487320636 15.999 > 41 42 O 0.83129847983223 0.73091376070184 0.14203487320636 15.999 > 41 43 O 0.83129847983223 0.23091376070184 0.64203487320636 15.999 > 41 44 O 0.83129847983223 0.73091376070184 0.64203487320636 15.999 > 41 45 O 0.33129847983223 0.01908623929816 0.10796512679364 15.999 > 45 46 O 0.33129847983223 0.51908623929816 0.10796512679364 15.999 > 45 47 O 0.33129847983223 0.01908623929816 0.60796512679364 15.999 > 45 48 O 0.33129847983223 0.51908623929816 0.60796512679364 15.999 > 45 49 O 0.09906354796541 0.37500000000000 0.11504735892650 15.999 > 49 50 O 0.09906354796541 0.87500000000000 0.11504735892650 15.999 > 49 51 O 0.09906354796541 0.37500000000000 0.61504735892650 15.999 > 49 52 O 0.09906354796541 0.87500000000000 0.61504735892650 15.999 > 49 53 O 0.40093645203459 0.12500000000000 0.36504735892650 15.999 > 53 54 O 0.40093645203459 0.62500000000000 0.36504735892650 15.999 > 53 55 O 0.40093645203459 0.12500000000000 0.86504735892650 15.999 > 53 56 O 0.40093645203459 0.62500000000000 0.86504735892650 15.999 > 53 57 O 0.44683314794770 0.37500000000000 0.40050494337433 15.999 > 57 58 O 0.44683314794770 0.87500000000000 0.40050494337433 15.999 > 57 59 O 0.44683314794770 0.37500000000000 0.90050494337433 15.999 > 57 60 O 0.44683314794770 0.87500000000000 0.90050494337433 15.999 > 57 61 O 0.59906354796541 0.37500000000000 0.13495264107350 15.999 > 61 62 O 0.59906354796541 0.87500000000000 0.13495264107350 15.999 > 61 63 O 0.59906354796541 0.37500000000000 0.63495264107350 15.999 > 61 64 O 0.59906354796541 0.87500000000000 0.63495264107350 15.999 > 61 65 O 0.94683314794770 0.37500000000000 0.34949505662567 15.999 > 65 66 O 0.94683314794770 0.87500000000000 0.34949505662567 15.999 > 65 67 O 0.94683314794770 0.37500000000000 0.84949505662567 15.999 > 65 68 O 0.94683314794770 0.87500000000000 0.84949505662567 15.999 > 65 69 O 0.05316685205230 0.12500000000000 0.15050494337433 15.999 > 69 70 O 0.05316685205230 0.62500000000000 0.15050494337433 15.999 > 69 71 O 0.05316685205230 0.12500000000000 0.65050494337433 15.999 > 69 72 O 0.05316685205230 0.62500000000000 0.65050494337433 15.999 > 69 73 O 0.55316685205230 0.12500000000000 0.09949505662567 15.999 > 73 74 O 0.55316685205230 0.62500000000000 0.09949505662567 15.999 > 73 75 O 0.55316685205230 0.12500000000000 0.59949505662567 15.999 > 73 76 O 0.55316685205230 0.62500000000000 0.59949505662567 15.999 > 73 77 O 0.16870152016777 0.48091376070184 0.35796512679364 15.999 > 77 78 O 0.16870152016777 0.98091376070184 0.35796512679364 15.999 > 77 79 O 0.16870152016777 0.48091376070184 0.85796512679364 15.999 > 77 80 O 0.16870152016777 0.98091376070184 0.85796512679364 15.999 > 77 81 Si 0.09057410645280 0.37500000000000 0.28277499283426 28.085 > 81 82 Si 0.09057410645280 0.87500000000000 0.28277499283426 28.085 > 81 83 Si 0.09057410645280 0.37500000000000 0.78277499283426 28.085 > 81 84 Si 0.09057410645280 0.87500000000000 0.78277499283426 28.085 > 81 85 Si 0.90942589354720 0.12500000000000 0.21722500716574 28.085 > 85 86 Si 0.90942589354720 0.62500000000000 0.21722500716574 28.085 > 85 87 Si 0.90942589354720 0.12500000000000 0.71722500716574 28.085 > 85 88 Si 0.90942589354720 0.62500000000000 0.71722500716574 28.085 > 85 89 Si 0.59057410645280 0.37500000000000 0.46722500716574 28.085 > 89 90 Si 0.59057410645280 0.87500000000000 0.46722500716574 28.085 > 89 91 Si 0.59057410645280 0.37500000000000 0.96722500716574 28.085 > 89 92 Si 0.59057410645280 0.87500000000000 0.96722500716574 28.085 > 89 93 Si 0.40942589354720 0.12500000000000 0.03277499283426 28.085 > 93 94 Si 0.40942589354720 0.62500000000000 0.03277499283426 28.085 > 93 95 Si 0.40942589354720 0.12500000000000 0.53277499283426 28.085 > 93 96 Si 0.40942589354720 0.62500000000000 0.53277499283426 28.085 > 93 97 Sc 0.22598128034263 0.12500000000000 0.25238010463396 44.956 > 97 98 Sc 0.22598128034263 0.62500000000000 0.25238010463396 44.956 > 97 99 Sc 0.22598128034263 0.12500000000000 0.75238010463396 44.956 > 97 100 Sc 0.22598128034263 0.62500000000000 0.75238010463396 44.956 > 97 101 Sc 0.72598128034263 0.12500000000000 0.49761989536604 44.956 > 101 102 Sc 0.72598128034263 0.62500000000000 0.49761989536604 44.956 > 101 103 Sc 0.72598128034263 0.12500000000000 0.99761989536604 44.956 > 101 104 Sc 0.72598128034263 0.62500000000000 0.99761989536604 44.956 > 101 105 Sc 0.77401871965737 0.37500000000000 0.24761989536604 44.956 > 105 106 Sc 0.77401871965737 0.87500000000000 0.24761989536604 44.956 > 105 107 Sc 0.77401871965737 0.37500000000000 0.74761989536604 44.956 > 105 108 Sc 0.77401871965737 0.87500000000000 0.74761989536604 44.956 > 105 109 Sc 0.27401871965737 0.37500000000000 0.00238010463396 44.956 > 109 110 Sc 0.27401871965737 0.87500000000000 0.00238010463396 44.956 > 109 111 Sc 0.27401871965737 0.37500000000000 0.50238010463396 44.956 > 109 112 Sc 0.27401871965737 0.87500000000000 0.50238010463396 44.956 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5750751 0.0000000 0.0000000 0.0000000 3.5181804 0.0000000 0.0000000 0.0000000 3.3612904 -------------------------- Born effective charges -------------------------- 1 Li 1.1090939 -0.1605839 0.0553367 -0.1096510 1.0434156 0.0729168 -0.0046047 0.1280177 1.2448562 2 Li 1.1090939 -0.1605839 -0.0553367 -0.1096510 1.0434156 -0.0729168 0.0046047 -0.1280177 1.2448562 3 Li 1.1090939 0.1605839 0.0553367 0.1096510 1.0434156 -0.0729168 -0.0046047 -0.1280177 1.2448562 4 Li 1.1090939 0.1605839 -0.0553367 0.1096510 1.0434156 0.0729168 0.0046047 0.1280177 1.2448562 5 O -1.7297536 0.2699801 0.2748887 0.3293832 -2.6447101 0.4479842 0.3159206 0.4037334 -1.8622142 6 O -1.7297536 0.2699801 0.2748887 0.3293832 -2.6447101 0.4479842 0.3159206 0.4037334 -1.8622142 7 O -1.7297536 0.2699801 -0.2748887 0.3293832 -2.6447101 -0.4479842 -0.3159206 -0.4037334 -1.8622142 8 O -1.7297536 -0.2699801 0.2748887 -0.3293832 -2.6447101 -0.4479842 0.3159206 -0.4037334 -1.8622142 9 O -1.7297536 -0.2699801 -0.2748887 -0.3293832 -2.6447101 0.4479842 -0.3159206 0.4037334 -1.8622142 10 O -1.9576369 0.0000000 0.5113211 0.0000000 -1.3807015 0.0000000 0.4861942 0.0000000 -2.4363825 11 O -1.7297536 0.2699801 -0.2748887 0.3293832 -2.6447101 -0.4479842 -0.3159206 -0.4037334 -1.8622142 12 O -1.7297536 -0.2699801 0.2748887 -0.3293832 -2.6447101 -0.4479842 0.3159206 -0.4037334 -1.8622142 13 O -1.9576369 0.0000000 0.5113211 0.0000000 -1.3807015 0.0000000 0.4861942 0.0000000 -2.4363825 14 O -1.9576369 0.0000000 -0.5113211 0.0000000 -1.3807015 0.0000000 -0.4861942 0.0000000 -2.4363825 15 O -3.0597461 0.0000000 0.1659682 0.0000000 -1.4537316 0.0000000 0.2322009 0.0000000 -1.5316809 16 O -1.9576369 0.0000000 -0.5113211 0.0000000 -1.3807015 0.0000000 -0.4861942 0.0000000 -2.4363825 17 O -3.0597461 0.0000000 -0.1659682 0.0000000 -1.4537316 0.0000000 -0.2322009 0.0000000 -1.5316809 18 O -3.0597461 0.0000000 -0.1659682 0.0000000 -1.4537316 0.0000000 -0.2322009 0.0000000 -1.5316809 19 O -3.0597461 0.0000000 0.1659682 0.0000000 -1.4537316 0.0000000 0.2322009 0.0000000 -1.5316809 20 O -1.7297536 -0.2699801 -0.2748887 -0.3293832 -2.6447101 0.4479842 -0.3159206 0.4037334 -1.8622142 21 Si 3.3998935 0.0000000 -0.2770166 0.0000000 3.0337020 0.0000000 0.1891644 0.0000000 3.0093877 22 Si 3.3998935 0.0000000 -0.2770166 0.0000000 3.0337020 0.0000000 0.1891644 0.0000000 3.0093877 23 Si 3.3998935 0.0000000 0.2770166 0.0000000 3.0337020 0.0000000 -0.1891644 0.0000000 3.0093877 24 Si 3.3998935 0.0000000 0.2770166 0.0000000 3.0337020 0.0000000 -0.1891644 0.0000000 3.0093877 25 Sc 3.9679027 0.0000000 0.2021593 0.0000000 4.0467359 0.0000000 -0.0399406 0.0000000 3.4382478 26 Sc 3.9679027 0.0000000 -0.2021593 0.0000000 4.0467359 0.0000000 0.0399406 0.0000000 3.4382478 27 Sc 3.9679027 0.0000000 0.2021593 0.0000000 4.0467359 0.0000000 -0.0399406 0.0000000 3.4382478 28 Sc 3.9679027 0.0000000 -0.2021593 0.0000000 4.0467359 0.0000000 0.0399406 0.0000000 3.4382478 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xzx) 0.00000003 (xzx) 0.00000003 (xxz) 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 ... [ 5 8 10 ] 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: 0.62, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 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 3.220 ( 0.000 0.000 0.000) 0.000 3.550 ( 0.000 0.000 0.000) 0.000 3.680 ( 0.000 0.000 0.000) 0.000 4.905 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 5.747 ( 0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.138 ( 0.000 0.000 0.000) 0.000 6.441 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 7.288 ( 0.000 0.000 0.000) 0.000 7.367 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 7.519 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 8.008 ( 0.000 0.000 0.000) 0.000 8.048 ( 0.000 0.000 0.000) 0.000 8.104 ( 0.000 0.000 0.000) 0.000 8.126 ( 0.000 0.000 0.000) 0.000 8.215 ( 0.000 0.000 0.000) 0.000 8.454 ( 0.000 0.000 0.000) 0.000 8.746 ( 0.000 0.000 0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.313 ( 0.000 0.000 0.000) 0.000 9.425 ( 0.000 0.000 0.000) 0.000 9.642 ( 0.000 0.000 0.000) 0.000 9.899 ( 0.000 0.000 0.000) 0.000 9.952 ( 0.000 0.000 0.000) 0.000 10.201 ( 0.000 0.000 0.000) 0.000 10.285 ( 0.000 0.000 0.000) 0.000 10.296 ( 0.000 0.000 0.000) 0.000 10.596 ( 0.000 0.000 0.000) 0.000 10.763 ( 0.000 0.000 0.000) 0.000 11.199 ( 0.000 0.000 0.000) 0.000 11.614 ( 0.000 0.000 0.000) 0.000 11.739 ( 0.000 0.000 0.000) 0.000 12.249 ( 0.000 0.000 0.000) 0.000 12.573 ( 0.000 0.000 0.000) 0.000 12.610 ( 0.000 0.000 0.000) 0.000 12.699 ( 0.000 0.000 0.000) 0.000 13.073 ( 0.000 0.000 0.000) 0.000 13.084 ( 0.000 0.000 0.000) 0.000 13.095 ( 0.000 0.000 0.000) 0.000 13.275 ( 0.000 0.000 0.000) 0.000 13.484 ( 0.000 0.000 0.000) 0.000 13.749 ( 0.000 0.000 0.000) 0.000 14.034 ( 0.000 0.000 0.000) 0.000 14.592 ( 0.000 0.000 0.000) 0.000 15.267 ( 0.000 0.000 0.000) 0.000 15.746 ( 0.000 0.000 0.000) 0.000 15.778 ( 0.000 0.000 0.000) 0.000 15.784 ( 0.000 0.000 0.000) 0.000 16.623 ( 0.000 0.000 0.000) 0.000 17.100 ( 0.000 0.000 0.000) 0.000 17.134 ( 0.000 0.000 0.000) 0.000 17.632 ( 0.000 0.000 0.000) 0.000 18.657 ( 0.000 0.000 0.000) 0.000 19.107 ( 0.000 0.000 0.000) 0.000 23.786 ( 0.000 0.000 0.000) 0.000 23.968 ( 0.000 0.000 0.000) 0.000 24.087 ( 0.000 0.000 0.000) 0.000 24.293 ( 0.000 0.000 0.000) 0.000 24.728 ( 0.000 0.000 0.000) 0.000 24.863 ( 0.000 0.000 0.000) 0.000 24.911 ( 0.000 0.000 0.000) 0.000 25.497 ( 0.000 0.000 0.000) 0.000 26.475 ( 0.000 0.000 0.000) 0.000 26.519 ( 0.000 0.000 0.000) 0.000 27.225 ( 0.000 0.000 0.000) 0.000 28.070 ( 0.000 0.000 0.000) 0.000 28.454 ( 0.000 0.000 0.000) 0.000 28.911 ( 0.000 0.000 0.000) 0.000 29.246 ( 0.000 0.000 0.000) 0.000 30.901 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 44.748 0.000 0.000) 44.748 0.880 ( 45.074 0.000 0.000) 45.074 1.535 ( 75.909 0.000 0.000) 75.909 3.051 ( -15.260 0.000 0.000) 15.260 3.098 ( -29.551 0.000 0.000) 29.551 4.030 ( 18.933 0.000 0.000) 18.933 4.827 ( -7.619 0.000 0.000) 7.619 4.951 ( -1.667 0.000 0.000) 1.667 4.989 ( -1.691 0.000 0.000) 1.691 5.372 ( -27.049 0.000 0.000) 27.049 5.483 ( 9.873 0.000 0.000) 9.873 5.654 ( -15.653 0.000 0.000) 15.653 5.771 ( 2.219 0.000 0.000) 2.219 5.773 ( 8.908 0.000 0.000) 8.908 5.915 ( -2.398 0.000 0.000) 2.398 6.377 ( 12.660 0.000 0.000) 12.660 6.507 ( 6.398 0.000 0.000) 6.398 6.614 ( 6.471 0.000 0.000) 6.471 7.207 ( -6.656 0.000 0.000) 6.656 7.348 ( -1.538 0.000 0.000) 1.538 7.487 ( -5.137 0.000 0.000) 5.137 7.499 ( -5.990 0.000 0.000) 5.990 7.544 ( 2.560 0.000 0.000) 2.560 7.693 ( -11.238 0.000 0.000) 11.238 7.705 ( -24.927 0.000 0.000) 24.927 7.906 ( -8.163 0.000 0.000) 8.163 7.990 ( 13.623 0.000 0.000) 13.623 8.169 ( 5.119 0.000 0.000) 5.119 8.179 ( 8.674 0.000 0.000) 8.674 8.276 ( 4.014 0.000 0.000) 4.014 8.497 ( 4.746 0.000 0.000) 4.746 8.897 ( 7.036 0.000 0.000) 7.036 9.181 ( -12.123 0.000 0.000) 12.123 9.246 ( -2.527 0.000 0.000) 2.527 9.449 ( 5.089 0.000 0.000) 5.089 9.928 ( 2.019 0.000 0.000) 2.019 9.954 ( 0.232 0.000 0.000) 0.232 9.957 ( -8.808 0.000 0.000) 8.808 10.277 ( 3.832 0.000 0.000) 3.832 10.373 ( 6.233 0.000 0.000) 6.233 10.465 ( 0.291 0.000 0.000) 0.291 10.674 ( 7.516 0.000 0.000) 7.516 10.721 ( -5.731 0.000 0.000) 5.731 11.154 ( -4.602 0.000 0.000) 4.602 11.819 ( 9.531 0.000 0.000) 9.531 12.193 ( -3.443 0.000 0.000) 3.443 12.492 ( 4.225 0.000 0.000) 4.225 12.513 ( -4.678 0.000 0.000) 4.678 12.731 ( 3.241 0.000 0.000) 3.241 13.061 ( -3.274 0.000 0.000) 3.274 13.097 ( 0.206 0.000 0.000) 0.206 13.168 ( -5.848 0.000 0.000) 5.848 13.228 ( 13.997 0.000 0.000) 13.997 13.652 ( 12.959 0.000 0.000) 12.959 13.816 ( 6.805 0.000 0.000) 6.805 13.948 ( -5.599 0.000 0.000) 5.599 14.472 ( -11.108 0.000 0.000) 11.108 14.923 ( -27.910 0.000 0.000) 27.910 15.350 ( 7.277 0.000 0.000) 7.277 15.717 ( -3.003 0.000 0.000) 3.003 15.824 ( 4.873 0.000 0.000) 4.873 16.113 ( 22.244 0.000 0.000) 22.244 16.485 ( -12.201 0.000 0.000) 12.201 17.035 ( -6.795 0.000 0.000) 6.795 17.230 ( 7.822 0.000 0.000) 7.822 17.599 ( -3.318 0.000 0.000) 3.318 19.148 ( 4.005 0.000 0.000) 4.005 19.454 ( -3.413 0.000 0.000) 3.413 23.797 ( 1.195 0.000 0.000) 1.195 23.935 ( -2.764 0.000 0.000) 2.764 24.122 ( 2.967 0.000 0.000) 2.967 24.279 ( -1.448 0.000 0.000) 1.448 24.733 ( 0.588 0.000 0.000) 0.588 24.837 ( -3.416 0.000 0.000) 3.416 25.036 ( 6.949 0.000 0.000) 6.949 25.452 ( -4.537 0.000 0.000) 4.537 26.479 ( 0.442 0.000 0.000) 0.442 26.515 ( -0.389 0.000 0.000) 0.389 28.097 ( 2.678 0.000 0.000) 2.678 28.372 ( -5.878 0.000 0.000) 5.878 28.732 ( 8.664 0.000 0.000) 8.664 29.202 ( -4.478 0.000 0.000) 4.478 30.913 ( 1.190 0.000 0.000) 1.190 31.018 ( -1.315 0.000 0.000) 1.315 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 39.479 0.000 0.000) 39.479 1.716 ( 41.652 0.000 0.000) 41.652 2.316 ( -17.429 0.000 0.000) 17.429 2.466 ( -36.195 0.000 0.000) 36.195 3.243 ( 58.389 0.000 0.000) 58.389 4.361 ( 15.662 0.000 0.000) 15.662 4.456 ( -59.619 0.000 0.000) 59.619 4.631 ( -12.416 0.000 0.000) 12.416 4.930 ( -0.115 0.000 0.000) 0.115 4.950 ( -1.935 0.000 0.000) 1.935 5.578 ( 0.414 0.000 0.000) 0.414 5.588 ( 0.813 0.000 0.000) 0.813 5.820 ( 2.631 0.000 0.000) 2.631 5.868 ( -2.415 0.000 0.000) 2.415 6.131 ( 26.849 0.000 0.000) 26.849 6.550 ( -2.792 0.000 0.000) 2.792 6.648 ( 6.893 0.000 0.000) 6.893 6.710 ( 1.575 0.000 0.000) 1.575 7.006 ( -19.879 0.000 0.000) 19.879 7.036 ( -10.128 0.000 0.000) 10.128 7.345 ( 2.703 0.000 0.000) 2.703 7.468 ( 2.878 0.000 0.000) 2.878 7.475 ( -9.986 0.000 0.000) 9.986 7.556 ( -4.889 0.000 0.000) 4.889 7.623 ( 5.164 0.000 0.000) 5.164 7.748 ( -7.681 0.000 0.000) 7.681 8.218 ( 8.744 0.000 0.000) 8.744 8.278 ( 3.031 0.000 0.000) 3.031 8.304 ( 3.774 0.000 0.000) 3.774 8.328 ( 1.007 0.000 0.000) 1.007 8.652 ( 11.442 0.000 0.000) 11.442 8.911 ( -14.737 0.000 0.000) 14.737 8.986 ( 5.408 0.000 0.000) 5.408 9.137 ( -8.492 0.000 0.000) 8.492 9.621 ( 10.636 0.000 0.000) 10.636 9.801 ( -7.952 0.000 0.000) 7.952 9.954 ( 0.697 0.000 0.000) 0.697 9.958 ( 0.114 0.000 0.000) 0.114 10.356 ( 6.146 0.000 0.000) 6.146 10.457 ( 2.302 0.000 0.000) 2.302 10.475 ( 0.267 0.000 0.000) 0.267 10.538 ( -11.472 0.000 0.000) 11.472 10.850 ( 9.887 0.000 0.000) 9.887 11.028 ( -8.247 0.000 0.000) 8.247 12.050 ( 10.401 0.000 0.000) 10.401 12.147 ( -1.847 0.000 0.000) 1.847 12.458 ( 0.580 0.000 0.000) 0.580 12.516 ( -2.357 0.000 0.000) 2.357 12.819 ( 5.788 0.000 0.000) 5.788 12.946 ( -7.162 0.000 0.000) 7.162 13.103 ( 0.409 0.000 0.000) 0.409 13.114 ( -0.975 0.000 0.000) 0.975 13.533 ( 16.051 0.000 0.000) 16.051 13.793 ( -10.663 0.000 0.000) 10.663 13.925 ( 15.043 0.000 0.000) 15.043 14.013 ( 14.395 0.000 0.000) 14.395 14.215 ( -14.816 0.000 0.000) 14.816 14.396 ( -25.173 0.000 0.000) 25.173 15.501 ( 7.738 0.000 0.000) 7.738 15.632 ( -5.751 0.000 0.000) 5.751 15.969 ( 10.293 0.000 0.000) 10.293 16.206 ( -13.555 0.000 0.000) 13.555 16.531 ( 18.570 0.000 0.000) 18.570 16.841 ( -13.298 0.000 0.000) 13.298 17.382 ( 7.533 0.000 0.000) 7.533 17.511 ( -5.757 0.000 0.000) 5.757 19.248 ( 6.045 0.000 0.000) 6.045 19.364 ( -5.697 0.000 0.000) 5.697 23.830 ( 2.198 0.000 0.000) 2.198 23.879 ( -2.839 0.000 0.000) 2.839 24.183 ( 3.193 0.000 0.000) 3.193 24.240 ( -2.582 0.000 0.000) 2.582 24.751 ( 1.298 0.000 0.000) 1.298 24.784 ( -2.205 0.000 0.000) 2.205 25.182 ( 8.076 0.000 0.000) 8.076 25.334 ( -7.423 0.000 0.000) 7.423 26.491 ( 0.704 0.000 0.000) 0.704 26.504 ( -0.670 0.000 0.000) 0.670 28.167 ( 4.448 0.000 0.000) 4.448 28.262 ( -5.416 0.000 0.000) 5.416 28.911 ( 9.477 0.000 0.000) 9.477 29.081 ( -7.904 0.000 0.000) 7.904 30.944 ( 1.992 0.000 0.000) 1.992 30.985 ( -2.070 0.000 0.000) 2.070 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.000 39.490 0.000) 39.490 0.944 ( 0.000 44.686 0.000) 44.686 1.679 ( 0.000 77.406 0.000) 77.406 3.286 ( 0.000 6.391 0.000) 6.391 3.823 ( 0.000 13.081 0.000) 13.081 3.857 ( 0.000 26.260 0.000) 26.260 4.869 ( 0.000 -7.921 0.000) 7.921 4.960 ( 0.000 -5.905 0.000) 5.905 4.988 ( 0.000 7.185 0.000) 7.185 5.322 ( 0.000 -25.010 0.000) 25.010 5.356 ( 0.000 -13.900 0.000) 13.900 5.402 ( 0.000 5.620 0.000) 5.620 5.543 ( 0.000 -14.306 0.000) 14.306 6.079 ( 0.000 12.249 0.000) 12.249 6.324 ( 0.000 15.058 0.000) 15.058 6.369 ( 0.000 5.386 0.000) 5.386 6.589 ( 0.000 20.698 0.000) 20.698 6.725 ( 0.000 2.389 0.000) 2.389 6.926 ( 0.000 1.800 0.000) 1.800 7.206 ( 0.000 -7.215 0.000) 7.215 7.391 ( 0.000 -6.957 0.000) 6.957 7.452 ( 0.000 -1.898 0.000) 1.898 7.607 ( 0.000 8.081 0.000) 8.081 7.614 ( 0.000 -14.118 0.000) 14.118 7.759 ( 0.000 -11.971 0.000) 11.971 7.916 ( 0.000 14.430 0.000) 14.430 8.165 ( 0.000 -4.700 0.000) 4.700 8.251 ( 0.000 5.652 0.000) 5.652 8.437 ( 0.000 16.319 0.000) 16.319 8.546 ( 0.000 8.977 0.000) 8.977 8.615 ( 0.000 -0.156 0.000) 0.156 8.772 ( 0.000 2.892 0.000) 2.892 9.313 ( 0.000 4.005 0.000) 4.005 9.348 ( 0.000 2.848 0.000) 2.848 9.427 ( 0.000 0.048 0.000) 0.048 9.604 ( 0.000 -3.479 0.000) 3.479 9.943 ( 0.000 -1.264 0.000) 1.264 10.168 ( 0.000 -3.296 0.000) 3.296 10.270 ( 0.000 -2.510 0.000) 2.510 10.296 ( 0.000 1.090 0.000) 1.090 10.558 ( 0.000 -1.538 0.000) 1.538 10.738 ( 0.000 -2.195 0.000) 2.195 10.986 ( 0.000 6.448 0.000) 6.448 11.049 ( 0.000 -12.085 0.000) 12.085 11.537 ( 0.000 -7.193 0.000) 7.193 11.775 ( 0.000 2.318 0.000) 2.318 12.253 ( 0.000 0.543 0.000) 0.543 12.520 ( 0.000 -8.059 0.000) 8.059 12.539 ( 0.000 -11.607 0.000) 11.607 12.605 ( 0.000 2.571 0.000) 2.571 13.150 ( 0.000 2.665 0.000) 2.665 13.194 ( 0.000 9.039 0.000) 9.039 13.304 ( 0.000 2.334 0.000) 2.334 13.510 ( 0.000 2.384 0.000) 2.384 13.758 ( 0.000 1.233 0.000) 1.233 13.965 ( 0.000 -6.762 0.000) 6.762 14.459 ( 0.000 -11.917 0.000) 11.917 15.142 ( 0.000 -9.675 0.000) 9.675 15.723 ( 0.000 -1.960 0.000) 1.960 15.820 ( 0.000 3.234 0.000) 3.234 15.924 ( 0.000 11.356 0.000) 11.356 16.153 ( 0.000 -9.335 0.000) 9.335 16.591 ( 0.000 -3.017 0.000) 3.017 17.053 ( 0.000 -4.328 0.000) 4.328 17.281 ( 0.000 12.092 0.000) 12.092 17.664 ( 0.000 3.070 0.000) 3.070 18.618 ( 0.000 -3.637 0.000) 3.637 18.981 ( 0.000 -10.836 0.000) 10.836 24.028 ( 0.000 5.551 0.000) 5.551 24.246 ( 0.000 13.376 0.000) 13.376 24.251 ( 0.000 -2.446 0.000) 2.446 24.756 ( 0.000 2.625 0.000) 2.625 24.880 ( 0.000 -2.965 0.000) 2.965 25.025 ( 0.000 13.550 0.000) 13.550 25.453 ( 0.000 -4.217 0.000) 4.217 26.491 ( 0.000 -2.608 0.000) 2.608 26.511 ( 0.000 3.829 0.000) 3.829 27.223 ( 0.000 -0.140 0.000) 0.140 27.734 ( 0.000 -4.713 0.000) 4.713 28.026 ( 0.000 -4.293 0.000) 4.293 28.480 ( 0.000 2.328 0.000) 2.328 28.894 ( 0.000 -1.646 0.000) 1.646 29.270 ( 0.000 2.344 0.000) 2.344 30.770 ( 0.000 -11.945 0.000) 11.945 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 32.086 25.797 0.000) 41.170 1.327 ( 32.221 32.574 0.000) 45.818 2.218 ( 45.754 54.001 0.000) 70.778 3.123 ( -12.764 8.411 0.000) 15.286 3.348 ( -28.871 20.958 0.000) 35.676 4.210 ( 16.262 15.917 0.000) 22.755 4.820 ( -4.072 -10.161 0.000) 10.947 4.923 ( -6.304 7.730 0.000) 9.974 4.951 ( -1.827 -4.716 0.000) 5.058 5.244 ( -13.222 -10.574 0.000) 16.930 5.425 ( 6.894 -12.399 0.000) 14.187 5.506 ( 9.669 2.510 0.000) 9.990 5.608 ( 7.257 -12.772 0.000) 14.690 6.028 ( -13.304 9.361 0.000) 16.267 6.094 ( -1.921 13.169 0.000) 13.308 6.446 ( -9.430 12.495 0.000) 15.654 6.640 ( -0.153 1.945 0.000) 1.951 6.670 ( 14.991 10.676 0.000) 18.404 7.036 ( 1.334 -8.663 0.000) 8.765 7.183 ( 1.589 -8.248 0.000) 8.400 7.311 ( -20.138 -14.400 0.000) 24.756 7.423 ( 1.485 -1.707 0.000) 2.262 7.550 ( -0.828 -2.089 0.000) 2.247 7.624 ( -0.201 3.561 0.000) 3.566 7.727 ( -5.271 -3.137 0.000) 6.133 7.972 ( 2.119 8.129 0.000) 8.401 8.201 ( 3.598 1.600 0.000) 3.938 8.281 ( 2.471 4.099 0.000) 4.786 8.309 ( -2.283 14.423 0.000) 14.603 8.404 ( -11.150 9.243 0.000) 14.483 8.595 ( 5.512 8.990 0.000) 10.545 8.917 ( 6.593 2.233 0.000) 6.961 9.207 ( -10.584 1.662 0.000) 10.714 9.285 ( -4.502 4.750 0.000) 6.544 9.437 ( 3.638 -1.032 0.000) 3.781 9.690 ( 4.849 -9.267 0.000) 10.459 9.956 ( 1.073 -0.273 0.000) 1.107 10.022 ( -7.173 0.653 0.000) 7.203 10.366 ( 4.989 -0.513 0.000) 5.015 10.367 ( 4.346 -2.070 0.000) 4.813 10.550 ( -6.674 4.958 0.000) 8.314 10.685 ( -0.571 3.508 0.000) 3.554 10.704 ( -5.062 -1.530 0.000) 5.288 11.009 ( -3.587 -11.966 0.000) 12.492 11.857 ( 9.226 2.572 0.000) 9.578 12.096 ( 10.723 -12.989 0.000) 16.844 12.317 ( 14.653 -8.374 0.000) 16.877 12.460 ( -4.881 -6.185 0.000) 7.879 12.598 ( 5.921 -13.450 0.000) 14.695 12.668 ( 3.750 -2.946 0.000) 4.769 13.085 ( -2.180 1.622 0.000) 2.718 13.210 ( -6.446 3.763 0.000) 7.464 13.381 ( 13.379 7.758 0.000) 15.465 13.634 ( 9.667 -1.185 0.000) 9.740 13.840 ( 8.787 3.046 0.000) 9.300 13.928 ( -3.404 -5.077 0.000) 6.113 14.365 ( -8.820 -9.677 0.000) 13.093 15.223 ( 7.605 -9.720 0.000) 12.341 15.470 ( -42.590 19.833 0.000) 46.982 15.691 ( -4.574 -1.521 0.000) 4.820 15.954 ( 3.215 10.053 0.000) 10.554 16.074 ( 15.863 -3.969 0.000) 16.352 16.474 ( -10.114 -1.073 0.000) 10.170 16.983 ( -7.267 -4.730 0.000) 8.671 17.316 ( 5.233 8.900 0.000) 10.324 17.634 ( -2.992 3.402 0.000) 4.531 18.936 ( 16.065 -22.777 0.000) 27.873 19.009 ( 2.672 -11.766 0.000) 12.066 24.031 ( 0.460 7.021 0.000) 7.036 24.230 ( -2.396 -0.958 0.000) 2.580 24.259 ( 1.313 12.753 0.000) 12.820 24.769 ( 1.289 3.341 0.000) 3.581 24.829 ( -12.711 5.904 0.000) 14.016 24.954 ( -14.276 26.358 0.000) 29.976 25.297 ( -37.204 37.208 0.000) 52.617 25.414 ( -3.829 -3.574 0.000) 5.237 26.516 ( 0.473 3.864 0.000) 3.892 26.552 ( -0.951 4.334 0.000) 4.437 28.053 ( 2.751 -4.229 0.000) 5.045 28.311 ( -3.555 -6.515 0.000) 7.422 28.720 ( 10.873 -0.834 0.000) 10.905 29.224 ( -4.705 2.136 0.000) 5.167 29.992 ( 55.665 -54.280 0.000) 77.749 30.763 ( -0.851 -13.513 0.000) 13.540 ======================= Grid point 7 (6/90) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 34.111 14.283 0.000) 36.981 1.996 ( 33.616 21.870 0.000) 40.104 2.494 ( -20.731 16.309 0.000) 26.378 2.741 ( -33.569 22.860 0.000) 40.614 3.504 ( 53.893 24.679 0.000) 59.275 4.392 ( -14.587 5.330 0.000) 15.530 4.634 ( -11.580 8.443 0.000) 14.332 4.761 ( -10.034 9.496 0.000) 13.815 4.892 ( -7.040 1.584 0.000) 7.216 4.894 ( -3.070 -4.317 0.000) 5.297 5.555 ( 5.309 -2.079 0.000) 5.702 5.601 ( 0.654 3.265 0.000) 3.330 5.900 ( 14.910 -13.348 0.000) 20.011 5.921 ( 0.670 5.078 0.000) 5.122 6.043 ( 3.092 8.340 0.000) 8.895 6.299 ( -8.756 -9.400 0.000) 12.846 6.652 ( -0.124 -5.917 0.000) 5.918 6.782 ( -14.171 -2.290 0.000) 14.355 6.981 ( 2.429 4.130 0.000) 4.792 7.030 ( 0.240 -1.052 0.000) 1.079 7.279 ( 6.589 -4.349 0.000) 7.895 7.434 ( -9.616 -4.433 0.000) 10.589 7.442 ( 1.986 0.233 0.000) 2.000 7.534 ( -6.410 -0.847 0.000) 6.465 7.745 ( 5.708 10.170 0.000) 11.663 7.888 ( -8.288 9.928 0.000) 12.933 8.304 ( 4.431 4.454 0.000) 6.283 8.305 ( 1.310 -0.456 0.000) 1.387 8.326 ( 1.074 2.240 0.000) 2.484 8.360 ( 1.657 8.015 0.000) 8.185 8.758 ( 10.423 8.885 0.000) 13.696 8.972 ( -12.196 4.759 0.000) 13.092 9.002 ( 5.490 1.896 0.000) 5.808 9.162 ( -8.964 3.069 0.000) 9.474 9.573 ( 8.385 -3.990 0.000) 9.286 9.699 ( -3.938 -7.369 0.000) 8.355 9.970 ( 0.851 0.952 0.000) 1.277 9.976 ( 0.740 1.045 0.000) 1.280 10.418 ( 2.031 1.680 0.000) 2.636 10.433 ( 1.769 -2.050 0.000) 2.707 10.455 ( -1.078 0.415 0.000) 1.155 10.540 ( -9.719 0.071 0.000) 9.719 10.792 ( 7.319 -5.151 0.000) 8.950 10.921 ( -5.720 -9.204 0.000) 10.837 12.066 ( 8.456 0.719 0.000) 8.487 12.128 ( -0.372 -2.242 0.000) 2.272 12.415 ( 1.933 -4.002 0.000) 4.444 12.487 ( -0.771 -2.301 0.000) 2.427 12.696 ( 3.844 -17.807 0.000) 18.218 12.721 ( 1.252 -7.936 0.000) 8.034 13.067 ( 0.337 0.910 0.000) 0.970 13.107 ( -3.908 2.981 0.000) 4.916 13.624 ( 10.375 1.324 0.000) 10.459 13.760 ( -2.113 -5.646 0.000) 6.028 13.922 ( 7.996 -1.632 0.000) 8.161 14.092 ( 6.548 1.758 0.000) 6.780 14.195 ( 3.671 4.266 0.000) 5.628 14.705 ( -35.062 21.052 0.000) 40.897 15.398 ( 9.843 -7.999 0.000) 12.683 15.574 ( -7.885 -4.678 0.000) 9.168 16.052 ( 7.225 6.483 0.000) 9.707 16.225 ( -9.407 1.297 0.000) 9.496 16.465 ( 17.084 -5.425 0.000) 17.924 16.778 ( -13.940 -5.654 0.000) 15.043 17.439 ( 6.620 5.724 0.000) 8.752 17.554 ( -5.217 4.278 0.000) 6.747 19.068 ( 2.856 -14.619 0.000) 14.896 19.089 ( 1.790 -19.618 0.000) 19.699 24.058 ( 2.781 10.218 0.000) 10.590 24.147 ( -5.876 7.972 0.000) 9.903 24.298 ( 2.999 13.362 0.000) 13.695 24.413 ( -11.851 25.726 0.000) 28.324 24.803 ( 2.228 5.024 0.000) 5.496 24.850 ( -2.590 6.864 0.000) 7.337 25.212 ( 4.533 3.261 0.000) 5.584 25.318 ( -5.787 -1.435 0.000) 5.962 26.528 ( 0.682 3.878 0.000) 3.938 26.540 ( -0.597 3.789 0.000) 3.836 28.124 ( 4.481 -4.142 0.000) 6.102 28.218 ( -5.151 -4.370 0.000) 6.755 28.917 ( 10.041 0.683 0.000) 10.064 29.097 ( -8.316 1.548 0.000) 8.458 30.575 ( 14.150 -32.258 0.000) 35.225 30.725 ( -3.698 -19.099 0.000) 19.454 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.000 41.892 0.000) 41.892 1.869 ( 0.000 43.222 0.000) 43.222 3.145 ( 0.000 54.371 0.000) 54.371 3.526 ( 0.000 21.786 0.000) 21.786 4.176 ( 0.000 17.760 0.000) 17.760 4.426 ( 0.000 17.746 0.000) 17.746 4.750 ( 0.000 -13.206 0.000) 13.206 4.763 ( 0.000 5.212 0.000) 5.212 4.792 ( 0.000 -25.684 0.000) 25.684 5.037 ( 0.000 -12.925 0.000) 12.925 5.133 ( 0.000 -11.299 0.000) 11.299 5.208 ( 0.000 1.934 0.000) 1.934 5.539 ( 0.000 5.199 0.000) 5.199 6.332 ( 0.000 -6.026 0.000) 6.026 6.415 ( 0.000 17.782 0.000) 17.782 6.646 ( 0.000 12.764 0.000) 12.764 6.787 ( 0.000 2.661 0.000) 2.661 6.882 ( 0.000 -5.533 0.000) 5.533 7.025 ( 0.000 -8.941 0.000) 8.941 7.079 ( 0.000 20.830 0.000) 20.830 7.125 ( 0.000 -21.537 0.000) 21.537 7.379 ( 0.000 4.087 0.000) 4.087 7.596 ( 0.000 -2.290 0.000) 2.290 7.640 ( 0.000 10.752 0.000) 10.752 7.829 ( 0.000 11.389 0.000) 11.389 8.046 ( 0.000 -4.922 0.000) 4.922 8.214 ( 0.000 13.597 0.000) 13.597 8.309 ( 0.000 0.203 0.000) 0.203 8.625 ( 0.000 1.473 0.000) 1.473 8.741 ( 0.000 12.626 0.000) 12.626 8.763 ( 0.000 9.531 0.000) 9.531 8.927 ( 0.000 13.616 0.000) 13.616 9.386 ( 0.000 -1.373 0.000) 1.373 9.390 ( 0.000 2.596 0.000) 2.596 9.424 ( 0.000 -0.118 0.000) 0.118 9.517 ( 0.000 -3.346 0.000) 3.346 9.873 ( 0.000 -5.956 0.000) 5.956 10.062 ( 0.000 -6.330 0.000) 6.330 10.191 ( 0.000 -5.012 0.000) 5.012 10.316 ( 0.000 -0.317 0.000) 0.317 10.543 ( 0.000 1.072 0.000) 1.072 10.684 ( 0.000 -2.560 0.000) 2.560 10.779 ( 0.000 -11.828 0.000) 11.828 11.192 ( 0.000 12.661 0.000) 12.661 11.329 ( 0.000 -12.037 0.000) 12.037 11.819 ( 0.000 1.950 0.000) 1.950 12.276 ( 0.000 -13.129 0.000) 13.129 12.288 ( 0.000 3.553 0.000) 3.553 12.300 ( 0.000 -12.305 0.000) 12.305 12.659 ( 0.000 2.246 0.000) 2.246 13.115 ( 0.000 -5.184 0.000) 5.184 13.347 ( 0.000 0.578 0.000) 0.578 13.435 ( 0.000 12.271 0.000) 12.271 13.573 ( 0.000 3.210 0.000) 3.210 13.754 ( 0.000 -12.256 0.000) 12.256 13.783 ( 0.000 0.066 0.000) 0.066 14.162 ( 0.000 -13.598 0.000) 13.598 14.913 ( 0.000 -11.895 0.000) 11.895 15.679 ( 0.000 -1.850 0.000) 1.850 15.876 ( 0.000 -2.262 0.000) 2.262 15.986 ( 0.000 -1.535 0.000) 1.535 16.183 ( 0.000 12.456 0.000) 12.456 16.501 ( 0.000 -5.337 0.000) 5.337 16.932 ( 0.000 -6.821 0.000) 6.821 17.572 ( 0.000 14.574 0.000) 14.574 17.765 ( 0.000 6.639 0.000) 6.639 18.509 ( 0.000 -6.686 0.000) 6.686 18.712 ( 0.000 -13.663 0.000) 13.663 24.191 ( 0.000 9.659 0.000) 9.659 24.239 ( 0.000 1.748 0.000) 1.748 24.542 ( 0.000 12.396 0.000) 12.396 24.788 ( 0.000 -5.731 0.000) 5.731 24.830 ( 0.000 4.190 0.000) 4.190 25.326 ( 0.000 -7.558 0.000) 7.558 25.363 ( 0.000 17.483 0.000) 17.483 26.408 ( 0.000 -5.337 0.000) 5.337 26.658 ( 0.000 10.566 0.000) 10.566 27.224 ( 0.000 0.443 0.000) 0.443 27.605 ( 0.000 -7.143 0.000) 7.143 27.887 ( 0.000 -9.021 0.000) 9.021 28.542 ( 0.000 3.373 0.000) 3.373 28.845 ( 0.000 -2.915 0.000) 2.915 29.349 ( 0.000 5.251 0.000) 5.251 30.442 ( 0.000 -18.076 0.000) 18.076 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 18.318 36.348 0.000) 40.703 2.079 ( 20.043 37.619 0.000) 42.626 3.203 ( -6.820 24.826 0.000) 25.746 3.599 ( 19.308 45.168 0.000) 49.122 3.828 ( -26.676 21.574 0.000) 34.308 4.471 ( -0.606 -5.794 0.000) 5.825 4.703 ( -2.353 10.021 0.000) 10.294 4.721 ( -4.277 -15.271 0.000) 15.859 4.998 ( 18.322 -15.862 0.000) 24.234 5.128 ( -1.726 3.053 0.000) 3.507 5.189 ( 8.377 -2.658 0.000) 8.788 5.268 ( 9.900 -8.057 0.000) 12.765 5.637 ( 7.873 5.220 0.000) 9.446 6.100 ( -13.813 -1.122 0.000) 13.858 6.372 ( -4.506 11.590 0.000) 12.435 6.686 ( -12.419 1.811 0.000) 12.550 6.808 ( 2.078 -2.830 0.000) 3.511 6.857 ( -21.182 19.969 0.000) 29.111 6.906 ( 2.746 -4.490 0.000) 5.263 7.023 ( -3.871 -5.695 0.000) 6.886 7.029 ( 6.855 -5.149 0.000) 8.573 7.455 ( 4.582 3.315 0.000) 5.656 7.548 ( -3.834 -0.589 0.000) 3.879 7.642 ( -3.177 6.017 0.000) 6.805 7.843 ( 3.466 9.928 0.000) 10.515 8.031 ( 0.166 -2.223 0.000) 2.229 8.300 ( -2.094 -1.951 0.000) 2.863 8.327 ( 8.314 11.907 0.000) 14.522 8.520 ( -9.070 3.001 0.000) 9.554 8.652 ( -3.644 16.353 0.000) 16.754 8.819 ( 5.732 10.743 0.000) 12.177 9.017 ( 4.222 8.126 0.000) 9.158 9.240 ( -9.580 0.948 0.000) 9.627 9.404 ( -4.342 5.365 0.000) 6.901 9.413 ( 0.973 -0.806 0.000) 1.263 9.518 ( 2.265 -7.908 0.000) 8.226 9.915 ( 3.462 -4.232 0.000) 5.468 10.026 ( -2.955 -0.407 0.000) 2.983 10.263 ( 5.888 -6.721 0.000) 8.935 10.354 ( 2.809 -1.120 0.000) 3.024 10.540 ( -0.907 -1.842 0.000) 2.053 10.663 ( -4.360 -2.373 0.000) 4.964 10.731 ( -2.941 -12.783 0.000) 13.117 10.827 ( -14.982 6.276 0.000) 16.244 11.814 ( 23.432 -10.027 0.000) 25.487 11.899 ( 8.006 1.163 0.000) 8.090 12.239 ( 1.536 -4.387 0.000) 4.648 12.270 ( -0.305 -10.500 0.000) 10.505 12.403 ( 4.689 -4.821 0.000) 6.726 12.647 ( -1.394 0.153 0.000) 1.403 13.093 ( -1.205 -2.594 0.000) 2.860 13.281 ( -5.623 1.534 0.000) 5.829 13.501 ( 4.997 4.863 0.000) 6.973 13.615 ( 2.798 -0.968 0.000) 2.960 13.755 ( 0.793 -9.723 0.000) 9.755 13.904 ( 10.298 -1.332 0.000) 10.384 14.148 ( 1.254 -5.780 0.000) 5.914 15.002 ( 8.797 -11.033 0.000) 14.110 15.581 ( -14.585 -2.110 0.000) 14.737 15.727 ( -18.292 0.593 0.000) 18.302 16.011 ( 11.685 0.465 0.000) 11.694 16.181 ( 0.013 10.839 0.000) 10.839 16.427 ( -6.618 -3.506 0.000) 7.489 16.854 ( -8.022 -7.067 0.000) 10.691 17.571 ( 1.115 14.032 0.000) 14.076 17.746 ( -1.945 7.257 0.000) 7.513 18.604 ( 7.267 -11.821 0.000) 13.876 18.724 ( 1.017 -14.194 0.000) 14.230 24.198 ( 0.712 9.048 0.000) 9.076 24.237 ( -0.238 2.292 0.000) 2.304 24.549 ( 1.071 11.595 0.000) 11.645 24.780 ( -1.195 -5.027 0.000) 5.167 24.870 ( 3.906 6.078 0.000) 7.225 25.309 ( -1.559 -6.159 0.000) 6.353 25.327 ( -3.577 15.455 0.000) 15.864 25.901 ( -43.890 12.692 0.000) 45.688 26.664 ( 0.612 10.722 0.000) 10.740 26.739 ( -7.422 13.259 0.000) 15.195 27.915 ( 2.830 -9.015 0.000) 9.449 28.077 ( 6.661 -15.219 0.000) 16.613 28.717 ( 12.525 0.898 0.000) 12.557 29.247 ( 38.439 -20.336 0.000) 43.487 29.296 ( -5.353 4.872 0.000) 7.239 30.400 ( -4.586 -19.597 0.000) 20.126 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 24.099 26.583 0.000) 35.880 2.508 ( 15.759 26.194 0.000) 30.570 2.934 ( -9.443 24.251 0.000) 26.024 3.271 ( -29.665 25.259 0.000) 38.962 4.172 ( 32.117 33.843 0.000) 46.657 4.486 ( 3.385 -15.826 0.000) 16.184 4.597 ( -7.305 -16.931 0.000) 18.439 4.610 ( -11.068 15.068 0.000) 18.697 5.097 ( 0.110 9.707 0.000) 9.708 5.184 ( -7.492 10.587 0.000) 12.970 5.380 ( 18.882 -10.355 0.000) 21.535 5.544 ( 10.269 -10.884 0.000) 14.964 5.763 ( 8.065 10.167 0.000) 12.977 5.969 ( -2.087 3.377 0.000) 3.970 6.250 ( -6.922 6.726 0.000) 9.651 6.357 ( -24.481 10.917 0.000) 26.804 6.487 ( -2.891 -8.148 0.000) 8.645 6.612 ( -13.099 -10.030 0.000) 16.498 7.001 ( 5.867 0.092 0.000) 5.868 7.070 ( 0.470 2.521 0.000) 2.565 7.237 ( 13.120 -0.428 0.000) 13.127 7.472 ( -7.584 8.278 0.000) 11.226 7.505 ( 0.625 4.464 0.000) 4.508 7.518 ( -4.580 -0.450 0.000) 4.602 7.963 ( 7.759 9.817 0.000) 12.513 8.049 ( 0.144 3.220 0.000) 3.223 8.242 ( -2.360 -4.704 0.000) 5.263 8.292 ( -8.402 2.182 0.000) 8.681 8.520 ( 6.792 10.463 0.000) 12.474 8.609 ( -2.412 13.696 0.000) 13.907 8.962 ( 6.216 9.237 0.000) 11.134 9.068 ( -7.179 4.023 0.000) 8.229 9.086 ( 6.828 6.471 0.000) 9.407 9.273 ( -9.421 6.618 0.000) 11.513 9.479 ( 4.445 -4.387 0.000) 6.245 9.538 ( -1.031 -7.743 0.000) 7.811 9.977 ( 2.355 -1.229 0.000) 2.656 9.993 ( -0.204 1.152 0.000) 1.170 10.363 ( 3.773 -3.691 0.000) 5.278 10.390 ( 0.688 -1.460 0.000) 1.614 10.490 ( -2.993 -1.822 0.000) 3.504 10.524 ( -6.827 -2.771 0.000) 7.367 10.682 ( -1.257 -3.135 0.000) 3.377 10.698 ( -1.545 -10.306 0.000) 10.421 12.043 ( 3.364 -5.427 0.000) 6.385 12.044 ( 3.986 -3.127 0.000) 5.066 12.306 ( 5.266 -6.004 0.000) 7.985 12.378 ( 5.135 -12.628 0.000) 13.632 12.453 ( 3.848 -0.041 0.000) 3.848 12.588 ( -5.338 -3.561 0.000) 6.417 13.096 ( 1.891 -0.359 0.000) 1.925 13.168 ( -5.391 1.055 0.000) 5.493 13.583 ( 3.366 -2.699 0.000) 4.314 13.630 ( -1.297 -5.668 0.000) 5.815 13.819 ( 5.712 -6.887 0.000) 8.948 13.937 ( -5.279 -10.779 0.000) 12.003 14.442 ( 26.991 12.178 0.000) 29.612 15.041 ( -33.350 9.940 0.000) 34.800 15.224 ( 13.438 -8.125 0.000) 15.703 15.480 ( -12.372 -3.830 0.000) 12.951 16.196 ( 1.907 6.622 0.000) 6.891 16.240 ( 2.339 -0.059 0.000) 2.340 16.357 ( 8.670 -3.821 0.000) 9.474 16.635 ( -14.298 -7.102 0.000) 15.964 17.622 ( 3.686 11.270 0.000) 11.857 17.693 ( -3.395 8.872 0.000) 9.499 18.712 ( 3.378 -15.551 0.000) 15.914 18.739 ( 0.147 -15.341 0.000) 15.342 24.215 ( 0.912 6.890 0.000) 6.950 24.229 ( -0.539 4.068 0.000) 4.104 24.603 ( 4.949 9.431 0.000) 10.650 24.719 ( -5.550 0.958 0.000) 5.632 24.975 ( 7.275 11.135 0.000) 13.301 25.185 ( -14.270 18.958 0.000) 23.728 25.284 ( -0.438 -1.480 0.000) 1.544 25.333 ( -9.218 8.284 0.000) 12.394 26.678 ( 0.702 10.983 0.000) 11.005 26.690 ( -0.740 11.135 0.000) 11.160 27.986 ( 4.303 -9.181 0.000) 10.140 28.068 ( -3.684 -10.258 0.000) 10.899 28.945 ( 11.512 2.167 0.000) 11.714 29.151 ( -9.507 3.769 0.000) 10.227 29.900 ( 25.754 -28.598 0.000) 38.485 30.248 ( -11.929 -23.916 0.000) 26.726 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 0.000 41.293 0.000) 41.293 2.748 ( 0.000 40.203 0.000) 40.203 3.683 ( 0.000 14.654 0.000) 14.654 4.101 ( 0.000 -1.126 0.000) 1.126 4.103 ( 0.000 -29.894 0.000) 29.894 4.435 ( 0.000 -16.256 0.000) 16.256 4.454 ( 0.000 -3.718 0.000) 3.718 4.478 ( 0.000 -2.669 0.000) 2.669 5.019 ( 0.000 20.895 0.000) 20.895 5.037 ( 0.000 15.479 0.000) 15.479 5.154 ( 0.000 19.528 0.000) 19.528 5.450 ( 0.000 15.911 0.000) 15.911 5.571 ( 0.000 -2.321 0.000) 2.321 6.166 ( 0.000 -8.403 0.000) 8.403 6.515 ( 0.000 -23.603 0.000) 23.603 6.543 ( 0.000 -13.037 0.000) 13.037 6.773 ( 0.000 -3.567 0.000) 3.567 6.852 ( 0.000 -5.521 0.000) 5.521 6.947 ( 0.000 14.464 0.000) 14.464 7.000 ( 0.000 9.462 0.000) 9.462 7.292 ( 0.000 -0.457 0.000) 0.457 7.423 ( 0.000 -2.156 0.000) 2.156 7.751 ( 0.000 15.358 0.000) 15.358 7.899 ( 0.000 11.251 0.000) 11.251 8.024 ( 0.000 6.088 0.000) 6.088 8.061 ( 0.000 7.848 0.000) 7.848 8.257 ( 0.000 -5.398 0.000) 5.398 8.426 ( 0.000 3.095 0.000) 3.095 8.717 ( 0.000 9.347 0.000) 9.347 8.960 ( 0.000 9.067 0.000) 9.067 8.970 ( 0.000 8.874 0.000) 8.874 9.248 ( 0.000 -10.270 0.000) 10.270 9.285 ( 0.000 15.731 0.000) 15.731 9.412 ( 0.000 0.009 0.000) 0.009 9.466 ( 0.000 8.148 0.000) 8.148 9.484 ( 0.000 -1.593 0.000) 1.593 9.692 ( 0.000 -10.628 0.000) 10.628 9.953 ( 0.000 -2.690 0.000) 2.690 10.071 ( 0.000 -5.940 0.000) 5.940 10.206 ( 0.000 -11.345 0.000) 11.345 10.619 ( 0.000 -2.982 0.000) 2.982 10.619 ( 0.000 6.195 0.000) 6.195 10.639 ( 0.000 -1.746 0.000) 1.746 11.057 ( 0.000 -13.211 0.000) 13.211 11.479 ( 0.000 13.721 0.000) 13.721 11.843 ( 0.000 -0.068 0.000) 0.068 12.007 ( 0.000 -11.417 0.000) 11.417 12.027 ( 0.000 -13.258 0.000) 13.258 12.442 ( 0.000 11.883 0.000) 11.883 12.710 ( 0.000 3.454 0.000) 3.454 12.978 ( 0.000 -7.221 0.000) 7.221 13.197 ( 0.000 -16.591 0.000) 16.591 13.591 ( 0.000 -0.863 0.000) 0.863 13.603 ( 0.000 2.191 0.000) 2.191 13.624 ( 0.000 1.224 0.000) 1.224 13.736 ( 0.000 -4.248 0.000) 4.248 14.061 ( 0.000 6.729 0.000) 6.729 14.639 ( 0.000 -14.223 0.000) 14.223 15.654 ( 0.000 -0.430 0.000) 0.430 15.749 ( 0.000 -5.736 0.000) 5.736 16.081 ( 0.000 6.668 0.000) 6.668 16.374 ( 0.000 -6.657 0.000) 6.657 16.424 ( 0.000 10.298 0.000) 10.298 16.780 ( 0.000 -7.502 0.000) 7.502 17.869 ( 0.000 13.401 0.000) 13.401 17.940 ( 0.000 9.916 0.000) 9.916 18.342 ( 0.000 -9.099 0.000) 9.099 18.432 ( 0.000 -12.925 0.000) 12.925 24.323 ( 0.000 6.004 0.000) 6.004 24.415 ( 0.000 11.121 0.000) 11.121 24.645 ( 0.000 -7.728 0.000) 7.728 24.701 ( 0.000 2.011 0.000) 2.011 24.923 ( 0.000 4.509 0.000) 4.509 25.156 ( 0.000 -7.881 0.000) 7.881 25.726 ( 0.000 16.501 0.000) 16.501 26.263 ( 0.000 -8.697 0.000) 8.697 26.950 ( 0.000 16.561 0.000) 16.561 27.250 ( 0.000 2.211 0.000) 2.211 27.452 ( 0.000 -7.040 0.000) 7.040 27.646 ( 0.000 -13.871 0.000) 13.871 28.617 ( 0.000 3.719 0.000) 3.719 28.775 ( 0.000 -3.619 0.000) 3.619 29.496 ( 0.000 8.978 0.000) 8.978 30.059 ( 0.000 -17.507 0.000) 17.507 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 10.353 38.161 0.000) 39.540 2.868 ( 11.546 36.901 0.000) 38.665 3.609 ( -7.741 18.321 0.000) 19.890 4.037 ( -4.373 -18.267 0.000) 18.783 4.178 ( 5.943 -11.550 0.000) 12.990 4.229 ( -18.573 3.320 0.000) 18.868 4.417 ( 0.393 -10.725 0.000) 10.733 4.643 ( 13.196 -14.749 0.000) 19.791 5.034 ( -0.136 18.871 0.000) 18.871 5.062 ( 2.890 15.357 0.000) 15.626 5.328 ( 12.575 9.775 0.000) 15.927 5.483 ( 4.545 11.017 0.000) 11.918 5.718 ( 14.794 7.717 0.000) 16.686 6.030 ( -8.846 -4.184 0.000) 9.786 6.427 ( -8.238 -22.775 0.000) 24.219 6.498 ( -9.081 -0.904 0.000) 9.126 6.664 ( -14.965 -3.181 0.000) 15.299 6.788 ( 7.364 -10.789 0.000) 13.062 7.050 ( 7.306 8.775 0.000) 11.418 7.112 ( 7.055 7.510 0.000) 10.304 7.255 ( -8.123 10.620 0.000) 13.371 7.466 ( 3.319 -3.813 0.000) 5.055 7.580 ( -11.913 7.612 0.000) 14.137 7.847 ( -7.261 8.797 0.000) 11.407 8.033 ( 2.269 7.015 0.000) 7.373 8.071 ( 1.433 8.440 0.000) 8.561 8.208 ( -3.844 -6.234 0.000) 7.324 8.490 ( 2.421 -2.080 0.000) 3.192 8.668 ( -1.861 14.876 0.000) 14.992 8.941 ( -2.585 10.212 0.000) 10.534 9.016 ( 5.394 7.540 0.000) 9.271 9.208 ( -4.425 -5.826 0.000) 7.316 9.247 ( -2.619 11.003 0.000) 11.311 9.380 ( -0.820 -2.913 0.000) 3.026 9.447 ( -1.564 5.320 0.000) 5.545 9.474 ( -1.893 0.463 0.000) 1.949 9.791 ( 8.288 -5.251 0.000) 9.811 9.997 ( 2.114 -1.769 0.000) 2.756 10.115 ( 5.402 -6.742 0.000) 8.639 10.249 ( 3.892 -10.880 0.000) 11.555 10.546 ( -6.065 -2.854 0.000) 6.703 10.561 ( -5.478 4.518 0.000) 7.101 10.615 ( -3.033 -2.612 0.000) 4.003 10.862 ( -13.249 -3.790 0.000) 13.780 11.723 ( 16.820 1.574 0.000) 16.893 11.893 ( 4.406 -1.529 0.000) 4.664 12.053 ( 2.721 -10.903 0.000) 11.237 12.057 ( 4.608 -9.323 0.000) 10.400 12.471 ( 2.659 9.945 0.000) 10.294 12.678 ( -3.055 3.672 0.000) 4.777 12.980 ( 0.394 -7.356 0.000) 7.366 13.157 ( -3.912 -14.823 0.000) 15.331 13.574 ( -0.927 0.115 0.000) 0.934 13.577 ( -1.484 2.026 0.000) 2.511 13.654 ( 2.205 -1.208 0.000) 2.514 13.750 ( 0.163 -7.974 0.000) 7.976 14.233 ( 17.082 9.858 0.000) 19.722 14.756 ( 11.654 -12.469 0.000) 17.067 15.549 ( -11.940 -0.276 0.000) 11.943 15.663 ( -10.103 -4.661 0.000) 11.126 16.093 ( 3.770 5.733 0.000) 6.862 16.334 ( -3.151 -5.101 0.000) 5.996 16.390 ( -3.294 8.847 0.000) 9.440 16.703 ( -7.719 -7.079 0.000) 10.473 17.867 ( 0.187 13.665 0.000) 13.666 17.934 ( -0.709 10.425 0.000) 10.449 18.374 ( 2.651 -10.809 0.000) 11.129 18.436 ( 0.379 -13.107 0.000) 13.113 24.328 ( 0.545 6.178 0.000) 6.202 24.404 ( -1.122 10.158 0.000) 10.220 24.646 ( 0.170 -7.415 0.000) 7.417 24.680 ( -1.459 0.824 0.000) 1.676 24.997 ( 7.028 5.219 0.000) 8.754 25.177 ( 2.481 -5.689 0.000) 6.206 25.631 ( -8.870 13.052 0.000) 15.780 25.977 ( -25.078 -2.352 0.000) 25.188 26.962 ( 1.161 16.939 0.000) 16.979 27.046 ( -5.626 15.130 0.000) 16.142 27.672 ( 2.616 -14.061 0.000) 14.303 27.724 ( 9.727 -17.327 0.000) 19.870 28.758 ( 12.267 2.945 0.000) 12.616 28.972 ( 20.179 -8.380 0.000) 21.850 29.435 ( -6.278 8.554 0.000) 10.610 29.994 ( -6.826 -18.087 0.000) 19.332 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 14.687 30.860 0.000) 34.177 3.077 ( 2.843 27.464 0.000) 27.611 3.485 ( 2.231 27.782 0.000) 27.872 3.775 ( -21.142 23.256 0.000) 31.430 4.073 ( 2.459 -22.900 0.000) 23.032 4.166 ( -5.553 -22.509 0.000) 23.183 4.590 ( 14.858 -9.328 0.000) 17.543 4.801 ( -1.961 -22.844 0.000) 22.928 5.029 ( 1.200 18.648 0.000) 18.686 5.074 ( -1.672 10.425 0.000) 10.558 5.522 ( 7.959 5.477 0.000) 9.661 5.589 ( 3.195 1.305 0.000) 3.451 6.011 ( 7.276 -0.176 0.000) 7.278 6.089 ( 14.243 19.168 0.000) 23.880 6.265 ( -5.926 -14.677 0.000) 15.828 6.286 ( -4.324 0.289 0.000) 4.334 6.385 ( -7.229 -0.155 0.000) 7.231 6.818 ( -31.500 23.411 0.000) 39.246 7.037 ( 12.994 -1.519 0.000) 13.083 7.165 ( -1.833 7.018 0.000) 7.254 7.211 ( 11.737 -0.373 0.000) 11.743 7.479 ( -6.616 -3.895 0.000) 7.678 7.526 ( 2.675 -4.000 0.000) 4.812 7.611 ( -11.969 0.144 0.000) 11.970 8.114 ( 2.566 6.806 0.000) 7.274 8.135 ( 5.076 5.730 0.000) 7.655 8.173 ( 3.092 0.328 0.000) 3.109 8.371 ( -11.265 1.786 0.000) 11.405 8.762 ( 7.743 12.641 0.000) 14.824 8.879 ( -4.188 11.218 0.000) 11.974 9.096 ( 0.950 2.448 0.000) 2.626 9.122 ( -3.205 -0.113 0.000) 3.207 9.257 ( 5.486 8.411 0.000) 10.042 9.377 ( -2.794 -0.275 0.000) 2.808 9.408 ( -2.325 -0.776 0.000) 2.451 9.419 ( -1.231 -0.738 0.000) 1.435 9.945 ( 6.496 -0.144 0.000) 6.497 10.010 ( -0.638 0.823 0.000) 1.041 10.248 ( 7.265 -8.338 0.000) 11.059 10.323 ( 2.495 -10.901 0.000) 11.183 10.418 ( -5.692 0.296 0.000) 5.700 10.444 ( -5.676 1.701 0.000) 5.925 10.568 ( -0.142 -3.580 0.000) 3.583 10.648 ( -8.251 -2.511 0.000) 8.625 11.946 ( 4.989 -2.564 0.000) 5.610 11.964 ( 2.007 -2.906 0.000) 3.531 12.136 ( 4.931 -10.379 0.000) 11.490 12.151 ( 3.657 -8.895 0.000) 9.617 12.528 ( 3.212 7.770 0.000) 8.407 12.603 ( -4.414 5.285 0.000) 6.886 13.002 ( 2.209 -8.470 0.000) 8.753 13.069 ( -4.560 -11.255 0.000) 12.143 13.561 ( -0.268 0.759 0.000) 0.805 13.562 ( -0.359 0.196 0.000) 0.409 13.697 ( 2.187 -4.397 0.000) 4.911 13.734 ( -1.550 -7.543 0.000) 7.700 14.662 ( 26.170 9.457 0.000) 27.826 15.051 ( 17.887 -8.623 0.000) 19.857 15.175 ( -25.351 4.713 0.000) 25.785 15.395 ( -16.773 -4.806 0.000) 17.448 16.240 ( 8.701 0.709 0.000) 8.730 16.306 ( 2.695 -1.709 0.000) 3.191 16.318 ( -3.519 4.958 0.000) 6.080 16.504 ( -12.263 -5.205 0.000) 13.322 17.883 ( 1.439 13.012 0.000) 13.091 17.913 ( -1.429 11.645 0.000) 11.733 18.420 ( 1.804 -12.863 0.000) 12.989 18.439 ( -0.276 -13.371 0.000) 13.373 24.345 ( 1.279 6.839 0.000) 6.957 24.375 ( -1.705 8.245 0.000) 8.420 24.651 ( 0.332 -5.886 0.000) 5.895 24.660 ( -0.632 -2.491 0.000) 2.570 25.181 ( 12.358 6.793 0.000) 14.102 25.267 ( 7.144 -0.167 0.000) 7.146 25.432 ( -10.950 7.112 0.000) 13.057 25.508 ( -20.765 5.308 0.000) 21.432 26.987 ( 1.232 17.744 0.000) 17.787 27.005 ( -0.725 17.999 0.000) 18.013 27.735 ( 3.476 -14.750 0.000) 15.154 27.786 ( -1.110 -16.301 0.000) 16.338 29.016 ( 13.792 4.751 0.000) 14.587 29.263 ( -11.378 7.144 0.000) 13.435 29.423 ( 23.001 -17.022 0.000) 28.614 29.789 ( -14.782 -18.976 0.000) 24.054 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 0.000 -37.798 0.000) 37.798 3.374 ( 0.000 37.798 0.000) 37.798 3.529 ( 0.000 -32.462 0.000) 32.462 3.529 ( 0.000 32.462 0.000) 32.462 4.093 ( 0.000 -15.096 0.000) 15.096 4.093 ( 0.000 15.096 0.000) 15.096 4.420 ( 0.000 -1.015 0.000) 1.015 4.420 ( 0.000 1.015 0.000) 1.015 5.354 ( 0.000 -4.863 0.000) 4.863 5.354 ( 0.000 4.863 0.000) 4.863 5.440 ( 0.000 -10.891 0.000) 10.891 5.440 ( 0.000 10.891 0.000) 10.891 6.014 ( 0.000 -33.195 0.000) 33.195 6.014 ( 0.000 33.195 0.000) 33.195 6.109 ( 0.000 -8.546 0.000) 8.546 6.109 ( 0.000 8.546 0.000) 8.546 6.756 ( 0.000 -2.101 0.000) 2.101 6.756 ( 0.000 2.101 0.000) 2.101 7.193 ( 0.000 -7.648 0.000) 7.648 7.193 ( 0.000 7.648 0.000) 7.648 7.264 ( 0.000 -12.501 0.000) 12.501 7.264 ( 0.000 12.501 0.000) 12.501 8.029 ( 0.000 -3.380 0.000) 3.380 8.029 ( 0.000 3.380 0.000) 3.380 8.092 ( 0.000 -6.215 0.000) 6.215 8.092 ( 0.000 6.215 0.000) 6.215 8.307 ( 0.000 -11.971 0.000) 11.971 8.307 ( 0.000 11.971 0.000) 11.971 8.989 ( 0.000 -13.935 0.000) 13.935 8.989 ( 0.000 13.935 0.000) 13.935 9.074 ( 0.000 -0.161 0.000) 0.161 9.074 ( 0.000 0.161 0.000) 0.161 9.433 ( 0.000 -2.387 0.000) 2.387 9.433 ( 0.000 2.387 0.000) 2.387 9.474 ( 0.000 -8.747 0.000) 8.747 9.474 ( 0.000 8.747 0.000) 8.747 9.855 ( 0.000 -21.031 0.000) 21.031 9.855 ( 0.000 21.031 0.000) 21.031 9.966 ( 0.000 -3.449 0.000) 3.449 9.966 ( 0.000 3.449 0.000) 3.449 10.610 ( 0.000 -0.967 0.000) 0.967 10.610 ( 0.000 0.967 0.000) 0.967 10.800 ( 0.000 -10.789 0.000) 10.789 10.800 ( 0.000 10.789 0.000) 10.789 11.754 ( 0.000 -12.747 0.000) 12.747 11.754 ( 0.000 12.747 0.000) 12.747 11.851 ( 0.000 -2.846 0.000) 2.846 11.851 ( 0.000 2.846 0.000) 2.846 12.785 ( 0.000 -19.789 0.000) 19.789 12.785 ( 0.000 19.789 0.000) 19.789 12.824 ( 0.000 -7.033 0.000) 7.033 12.824 ( 0.000 7.033 0.000) 7.033 13.618 ( 0.000 -1.561 0.000) 1.561 13.618 ( 0.000 1.561 0.000) 1.561 13.643 ( 0.000 -3.547 0.000) 3.547 13.643 ( 0.000 3.547 0.000) 3.547 14.325 ( 0.000 -15.177 0.000) 15.177 14.325 ( 0.000 15.177 0.000) 15.177 15.668 ( 0.000 -2.029 0.000) 2.029 15.668 ( 0.000 2.029 0.000) 2.029 16.228 ( 0.000 -7.101 0.000) 7.101 16.228 ( 0.000 7.101 0.000) 7.101 16.616 ( 0.000 -8.228 0.000) 8.228 16.616 ( 0.000 8.228 0.000) 8.228 18.128 ( 0.000 -11.288 0.000) 11.288 18.128 ( 0.000 11.288 0.000) 11.288 18.171 ( 0.000 -11.839 0.000) 11.839 18.171 ( 0.000 11.839 0.000) 11.839 24.475 ( 0.000 -8.056 0.000) 8.056 24.475 ( 0.000 8.056 0.000) 8.056 24.627 ( 0.000 -8.069 0.000) 8.069 24.627 ( 0.000 8.069 0.000) 8.069 25.021 ( 0.000 -5.096 0.000) 5.096 25.021 ( 0.000 5.096 0.000) 5.096 26.037 ( 0.000 -12.877 0.000) 12.877 26.037 ( 0.000 12.877 0.000) 12.877 27.314 ( 0.000 -17.248 0.000) 17.248 27.314 ( 0.000 17.248 0.000) 17.248 27.324 ( 0.000 -4.891 0.000) 4.891 27.324 ( 0.000 4.891 0.000) 4.891 28.697 ( 0.000 -3.820 0.000) 3.820 28.697 ( 0.000 3.820 0.000) 3.820 29.731 ( 0.000 -13.440 0.000) 13.440 29.731 ( 0.000 13.440 0.000) 13.440 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.417 ( 4.362 -34.672 0.000) 34.945 3.417 ( 4.362 34.672 0.000) 34.945 3.593 ( 5.328 -30.397 0.000) 30.861 3.593 ( 5.328 30.397 0.000) 30.861 4.065 ( -1.861 -18.251 0.000) 18.345 4.065 ( -1.861 18.251 0.000) 18.345 4.394 ( -3.263 -9.417 0.000) 9.966 4.394 ( -3.263 9.417 0.000) 9.966 5.385 ( 2.912 -8.574 0.000) 9.055 5.385 ( 2.912 8.574 0.000) 9.055 5.426 ( -0.764 -11.879 0.000) 11.903 5.426 ( -0.764 11.879 0.000) 11.903 6.039 ( -4.874 -9.507 0.000) 10.684 6.039 ( -4.874 9.507 0.000) 10.684 6.195 ( 16.606 -27.461 0.000) 32.091 6.195 ( 16.606 27.461 0.000) 32.091 6.625 ( -11.271 -1.109 0.000) 11.326 6.625 ( -11.271 1.109 0.000) 11.326 7.261 ( 4.798 -5.621 0.000) 7.390 7.261 ( 4.798 5.621 0.000) 7.390 7.293 ( 2.788 -11.650 0.000) 11.979 7.293 ( 2.788 11.650 0.000) 11.979 7.839 ( -18.517 -10.716 0.000) 21.394 7.839 ( -18.517 10.716 0.000) 21.394 8.116 ( 2.770 -1.819 0.000) 3.314 8.116 ( 2.770 1.819 0.000) 3.314 8.325 ( 0.904 -12.397 0.000) 12.430 8.325 ( 0.904 12.397 0.000) 12.430 8.987 ( 0.174 -13.864 0.000) 13.865 8.987 ( 0.174 13.864 0.000) 13.865 9.076 ( -0.119 -2.307 0.000) 2.310 9.076 ( -0.119 2.307 0.000) 2.310 9.418 ( -1.337 -4.419 0.000) 4.617 9.418 ( -1.337 4.419 0.000) 4.617 9.435 ( -3.035 -7.874 0.000) 8.439 9.435 ( -3.035 7.874 0.000) 8.439 9.933 ( 6.815 -16.683 0.000) 18.021 9.933 ( 6.815 16.683 0.000) 18.021 10.005 ( 3.622 -3.138 0.000) 4.792 10.005 ( 3.622 3.138 0.000) 4.792 10.558 ( -4.544 -2.448 0.000) 5.162 10.558 ( -4.544 2.448 0.000) 5.162 10.711 ( -8.038 -8.675 0.000) 11.826 10.711 ( -8.038 8.675 0.000) 11.826 11.842 ( 7.467 -8.603 0.000) 11.391 11.842 ( 7.467 8.603 0.000) 11.391 11.904 ( 4.668 -4.143 0.000) 6.241 11.904 ( 4.668 4.143 0.000) 6.241 12.779 ( -0.536 -18.233 0.000) 18.240 12.779 ( -0.536 18.233 0.000) 18.240 12.810 ( -1.279 -8.101 0.000) 8.202 12.810 ( -1.279 8.101 0.000) 8.202 13.617 ( -0.105 -2.491 0.000) 2.493 13.617 ( -0.105 2.491 0.000) 2.493 13.628 ( -1.039 -3.842 0.000) 3.980 13.628 ( -1.039 3.842 0.000) 3.980 14.483 ( 15.393 -13.124 0.000) 20.228 14.483 ( 15.393 13.124 0.000) 20.228 15.578 ( -9.982 -2.950 0.000) 10.409 15.578 ( -9.982 2.950 0.000) 10.409 16.218 ( 0.090 -5.870 0.000) 5.870 16.218 ( 0.090 5.870 0.000) 5.870 16.555 ( -6.007 -7.196 0.000) 9.373 16.555 ( -6.007 7.196 0.000) 9.373 18.136 ( 0.784 -11.995 0.000) 12.021 18.136 ( 0.784 11.995 0.000) 12.021 18.172 ( 0.031 -12.072 0.000) 12.072 18.172 ( 0.031 12.072 0.000) 12.072 24.481 ( 0.650 -7.972 0.000) 7.998 24.481 ( 0.650 7.972 0.000) 7.998 24.600 ( -2.541 -7.596 0.000) 8.009 24.600 ( -2.541 7.596 0.000) 8.009 25.084 ( 6.373 -3.599 0.000) 7.318 25.084 ( 6.373 3.599 0.000) 7.318 25.859 ( -15.834 -8.446 0.000) 17.946 25.859 ( -15.834 8.446 0.000) 17.946 27.335 ( 1.981 -17.624 0.000) 17.735 27.335 ( 1.981 17.624 0.000) 17.735 27.372 ( 3.305 -16.085 0.000) 16.421 27.372 ( 3.305 16.085 0.000) 16.421 28.840 ( 13.744 -4.844 0.000) 14.573 28.840 ( 13.744 4.844 0.000) 14.573 29.663 ( -7.063 -13.277 0.000) 15.039 29.663 ( -7.063 13.277 0.000) 15.039 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.531 ( 6.902 -28.473 0.000) 29.298 3.531 ( 6.902 28.473 0.000) 29.298 3.639 ( -2.529 -25.320 0.000) 25.446 3.639 ( -2.529 25.320 0.000) 25.446 4.101 ( 6.952 -27.866 0.000) 28.720 4.101 ( 6.952 27.866 0.000) 28.720 4.275 ( -8.937 -24.701 0.000) 26.268 4.275 ( -8.937 24.701 0.000) 26.268 5.426 ( 0.679 -14.987 0.000) 15.003 5.426 ( 0.679 14.987 0.000) 15.003 5.432 ( 0.939 -14.655 0.000) 14.685 5.432 ( 0.939 14.655 0.000) 14.685 6.034 ( 6.282 -5.010 0.000) 8.035 6.034 ( 6.282 5.010 0.000) 8.035 6.255 ( -13.637 -3.281 0.000) 14.026 6.255 ( -13.637 3.281 0.000) 14.026 6.733 ( 25.993 -23.007 0.000) 34.713 6.733 ( 25.993 23.007 0.000) 34.713 7.226 ( -16.616 -10.214 0.000) 19.504 7.226 ( -16.616 10.214 0.000) 19.504 7.358 ( 3.667 -10.246 0.000) 10.883 7.358 ( 3.667 10.246 0.000) 10.883 7.458 ( -11.964 -9.090 0.000) 15.026 7.458 ( -11.964 9.090 0.000) 15.026 8.202 ( 5.776 -0.938 0.000) 5.852 8.202 ( 5.776 0.938 0.000) 5.852 8.302 ( -3.637 -8.056 0.000) 8.839 8.302 ( -3.637 8.056 0.000) 8.839 9.010 ( 2.277 -9.813 0.000) 10.073 9.010 ( 2.277 9.813 0.000) 10.073 9.057 ( -1.978 -5.493 0.000) 5.838 9.057 ( -1.978 5.493 0.000) 5.838 9.391 ( -1.093 -3.898 0.000) 4.048 9.391 ( -1.093 3.898 0.000) 4.048 9.393 ( -1.015 -2.820 0.000) 2.997 9.393 ( -1.015 2.820 0.000) 2.997 10.060 ( 4.866 -11.185 0.000) 12.198 10.060 ( 4.866 11.185 0.000) 12.198 10.076 ( 2.722 -6.273 0.000) 6.838 10.076 ( 2.722 6.273 0.000) 6.838 10.485 ( -1.467 -4.301 0.000) 4.545 10.485 ( -1.467 4.301 0.000) 4.545 10.548 ( -7.455 -6.306 0.000) 9.764 10.548 ( -7.455 6.306 0.000) 9.764 11.968 ( 4.300 -4.856 0.000) 6.486 11.968 ( 4.300 4.856 0.000) 6.486 11.984 ( 2.481 -5.298 0.000) 5.850 11.984 ( 2.481 5.298 0.000) 5.850 12.772 ( 0.038 -14.555 0.000) 14.555 12.772 ( 0.038 14.555 0.000) 14.555 12.784 ( -1.168 -10.849 0.000) 10.912 12.784 ( -1.168 10.849 0.000) 10.912 13.614 ( -0.157 -3.685 0.000) 3.689 13.614 ( -0.157 3.685 0.000) 3.689 13.615 ( -0.303 -4.189 0.000) 4.200 13.615 ( -0.303 4.189 0.000) 4.200 14.860 ( 22.301 -9.423 0.000) 24.210 14.860 ( 22.301 9.423 0.000) 24.210 15.281 ( -20.087 -5.549 0.000) 20.839 15.281 ( -20.087 5.549 0.000) 20.839 16.270 ( 5.475 -1.767 0.000) 5.753 16.270 ( 5.475 1.767 0.000) 5.753 16.410 ( -8.325 -4.065 0.000) 9.264 16.410 ( -8.325 4.065 0.000) 9.264 18.154 ( 0.965 -12.694 0.000) 12.731 18.154 ( 0.965 12.694 0.000) 12.731 18.169 ( -0.463 -12.543 0.000) 12.551 18.169 ( -0.463 12.543 0.000) 12.551 24.503 ( 1.691 -7.734 0.000) 7.917 24.503 ( 1.691 7.734 0.000) 7.917 24.546 ( -2.717 -7.468 0.000) 7.947 24.546 ( -2.717 7.468 0.000) 7.947 25.259 ( 11.771 -1.295 0.000) 11.843 25.259 ( 11.771 1.295 0.000) 11.843 25.532 ( -16.488 -2.263 0.000) 16.643 25.532 ( -16.488 2.263 0.000) 16.643 27.379 ( 2.249 -18.580 0.000) 18.715 27.379 ( 2.249 18.580 0.000) 18.715 27.405 ( -0.056 -19.307 0.000) 19.307 27.405 ( -0.056 19.307 0.000) 19.307 29.157 ( 17.525 -9.100 0.000) 19.747 29.157 ( 17.525 9.100 0.000) 19.747 29.463 ( -13.598 -12.236 0.000) 18.293 29.463 ( -13.598 12.236 0.000) 18.293 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 0.000 0.000 39.818) 39.818 0.909 ( 0.000 0.000 43.228) 43.228 1.646 ( 0.000 0.000 77.316) 77.316 3.411 ( 0.000 0.000 17.256) 17.256 3.617 ( 0.000 0.000 6.296) 6.296 3.707 ( 0.000 0.000 2.549) 2.549 4.802 ( 0.000 0.000 -6.482) 6.482 4.913 ( 0.000 0.000 -8.035) 8.035 5.050 ( 0.000 0.000 4.280) 4.280 5.217 ( 0.000 0.000 -4.396) 4.396 5.586 ( 0.000 0.000 -8.862) 8.862 5.709 ( 0.000 0.000 -4.854) 4.854 5.761 ( 0.000 0.000 10.693) 10.693 5.951 ( 0.000 0.000 0.923) 0.923 6.122 ( 0.000 0.000 9.080) 9.080 6.127 ( 0.000 0.000 -2.438) 2.438 6.347 ( 0.000 0.000 -8.103) 8.103 6.610 ( 0.000 0.000 6.465) 6.465 6.716 ( 0.000 0.000 1.482) 1.482 7.203 ( 0.000 0.000 -14.049) 14.049 7.234 ( 0.000 0.000 -15.828) 15.828 7.275 ( 0.000 0.000 -0.702) 0.702 7.495 ( 0.000 0.000 -2.238) 2.238 7.792 ( 0.000 0.000 -3.714) 3.714 7.890 ( 0.000 0.000 14.582) 14.582 8.014 ( 0.000 0.000 -3.012) 3.012 8.047 ( 0.000 0.000 1.285) 1.285 8.096 ( 0.000 0.000 -0.861) 0.861 8.168 ( 0.000 0.000 -4.381) 4.381 8.433 ( 0.000 0.000 5.947) 5.947 8.560 ( 0.000 0.000 9.694) 9.694 8.789 ( 0.000 0.000 -0.935) 0.935 9.162 ( 0.000 0.000 -8.424) 8.424 9.356 ( 0.000 0.000 3.746) 3.746 9.493 ( 0.000 0.000 -12.971) 12.971 9.519 ( 0.000 0.000 -8.993) 8.993 9.905 ( 0.000 0.000 0.536) 0.536 9.963 ( 0.000 0.000 1.003) 1.003 10.153 ( 0.000 0.000 -13.095) 13.095 10.214 ( 0.000 0.000 1.276) 1.276 10.349 ( 0.000 0.000 4.342) 4.342 10.564 ( 0.000 0.000 -2.830) 2.830 11.166 ( 0.000 0.000 -3.174) 3.174 11.405 ( 0.000 0.000 -9.967) 9.967 11.916 ( 0.000 0.000 6.443) 6.443 12.327 ( 0.000 0.000 -13.525) 13.525 12.346 ( 0.000 0.000 6.835) 6.835 12.648 ( 0.000 0.000 -4.037) 4.037 12.847 ( 0.000 0.000 -6.601) 6.601 12.880 ( 0.000 0.000 16.156) 16.156 13.015 ( 0.000 0.000 -0.908) 0.908 13.112 ( 0.000 0.000 1.665) 1.665 13.135 ( 0.000 0.000 4.462) 4.462 13.305 ( 0.000 0.000 2.723) 2.723 13.501 ( 0.000 0.000 1.447) 1.447 14.039 ( 0.000 0.000 0.663) 0.663 14.510 ( 0.000 0.000 -7.739) 7.739 14.990 ( 0.000 0.000 -2.998) 2.998 15.306 ( 0.000 0.000 3.530) 3.530 15.749 ( 0.000 0.000 0.202) 0.202 15.791 ( 0.000 0.000 0.567) 0.567 16.254 ( 0.000 0.000 -1.392) 1.392 16.580 ( 0.000 0.000 -4.328) 4.328 17.005 ( 0.000 0.000 -8.312) 8.312 17.131 ( 0.000 0.000 -0.432) 0.432 18.543 ( 0.000 0.000 -9.969) 9.969 19.033 ( 0.000 0.000 1.908) 1.908 19.114 ( 0.000 0.000 -0.006) 0.006 23.789 ( 0.000 0.000 0.330) 0.330 23.980 ( 0.000 0.000 1.062) 1.062 24.071 ( 0.000 0.000 -1.420) 1.420 24.288 ( 0.000 0.000 -0.491) 0.491 24.790 ( 0.000 0.000 -0.115) 0.115 24.873 ( 0.000 0.000 0.753) 0.753 24.944 ( 0.000 0.000 2.936) 2.936 25.468 ( 0.000 0.000 -2.490) 2.490 26.512 ( 0.000 0.000 3.321) 3.321 26.529 ( 0.000 0.000 0.969) 0.969 27.245 ( 0.000 0.000 1.777) 1.777 28.490 ( 0.000 0.000 3.012) 3.012 28.976 ( 0.000 0.000 6.003) 6.003 29.363 ( 0.000 0.000 10.647) 10.647 29.769 ( 0.000 0.000 -6.173) 6.173 31.651 ( 0.000 0.000 -7.095) 7.095 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 32.172 0.000 26.881) 41.924 1.424 ( 35.758 0.000 33.552) 49.034 2.112 ( 44.698 0.000 52.140) 68.677 3.172 ( -28.148 0.000 6.917) 28.985 3.259 ( -12.417 0.000 19.654) 23.248 4.056 ( 18.214 0.000 2.508) 18.386 4.762 ( -4.206 0.000 -5.179) 6.672 4.898 ( -1.382 0.000 -7.627) 7.751 4.980 ( -6.048 0.000 1.653) 6.270 5.204 ( -12.013 0.000 -4.960) 12.996 5.565 ( -1.037 0.000 -8.943) 9.002 5.671 ( -4.330 0.000 -2.430) 4.965 5.750 ( 3.685 0.000 -2.926) 4.705 5.877 ( -6.545 0.000 23.360) 24.260 5.937 ( -1.517 0.000 1.497) 2.131 6.336 ( 11.307 0.000 -3.782) 11.923 6.411 ( 6.339 0.000 -8.186) 10.353 6.658 ( 3.740 0.000 4.014) 5.486 7.038 ( 15.601 0.000 -18.443) 24.157 7.196 ( -6.621 0.000 -1.004) 6.697 7.199 ( 0.161 0.000 -12.709) 12.710 7.522 ( 2.677 0.000 -2.086) 3.393 7.562 ( -8.030 0.000 -6.277) 10.192 7.652 ( 8.448 0.000 -9.180) 12.476 7.662 ( -10.498 0.000 -2.880) 10.886 7.899 ( -8.167 0.000 -0.989) 8.226 7.944 ( -9.767 0.000 13.435) 16.610 8.154 ( 6.738 0.000 -2.657) 7.243 8.225 ( 3.739 0.000 -4.220) 5.638 8.371 ( -3.312 0.000 7.146) 7.877 8.608 ( 5.003 0.000 9.664) 10.882 8.846 ( 2.884 0.000 -4.771) 5.575 9.131 ( -3.728 0.000 -9.057) 9.794 9.230 ( -11.394 0.000 4.360) 12.199 9.443 ( 2.092 0.000 -1.244) 2.434 9.630 ( 3.937 0.000 -20.162) 20.542 9.934 ( 2.033 0.000 0.585) 2.116 9.966 ( 0.275 0.000 1.057) 1.092 10.101 ( 0.261 0.000 -4.723) 4.730 10.345 ( 7.634 0.000 -2.864) 8.154 10.532 ( 11.737 0.000 0.724) 11.759 10.641 ( 7.463 0.000 -2.942) 8.023 11.030 ( -24.853 0.000 8.655) 26.317 11.121 ( -4.621 0.000 -3.177) 5.608 11.850 ( -0.069 0.000 1.013) 1.016 12.208 ( -6.981 0.000 -8.716) 11.167 12.466 ( 7.093 0.000 8.338) 10.947 12.625 ( -4.109 0.000 5.506) 6.870 12.685 ( 3.724 0.000 -3.611) 5.187 13.058 ( -5.514 0.000 -0.007) 5.514 13.094 ( 15.699 0.000 -12.298) 19.943 13.146 ( 0.683 0.000 4.589) 4.639 13.224 ( -4.078 0.000 4.675) 6.204 13.593 ( 23.374 0.000 -3.749) 23.672 13.655 ( 12.006 0.000 0.179) 12.007 14.001 ( -2.277 0.000 2.152) 3.133 14.407 ( -9.749 0.000 -6.265) 11.589 14.974 ( -11.471 0.000 -0.263) 11.474 15.376 ( 6.353 0.000 2.452) 6.810 15.721 ( -2.941 0.000 0.269) 2.954 15.735 ( 1.245 0.000 -0.971) 1.579 16.218 ( 2.782 0.000 1.534) 3.177 16.460 ( -10.280 0.000 -2.108) 10.494 16.921 ( -7.701 0.000 -9.925) 12.562 17.230 ( 8.037 0.000 -0.165) 8.039 17.914 ( -26.570 0.000 14.259) 30.155 19.145 ( 3.155 0.000 -0.923) 3.287 19.297 ( 5.512 0.000 -9.736) 11.188 23.800 ( 1.182 0.000 0.314) 1.223 23.941 ( -3.004 0.000 0.515) 3.048 24.112 ( 3.232 0.000 -0.853) 3.343 24.274 ( -1.457 0.000 -0.492) 1.538 24.762 ( -0.458 0.000 1.762) 1.820 24.857 ( -2.903 0.000 1.385) 3.217 25.024 ( 7.111 0.000 0.103) 7.111 25.426 ( -4.238 0.000 -2.239) 4.793 26.503 ( 0.366 0.000 -0.132) 0.389 26.546 ( -0.032 0.000 5.616) 5.616 27.691 ( 25.175 0.000 -18.188) 31.058 28.464 ( -5.624 0.000 2.942) 6.347 28.875 ( -1.376 0.000 9.337) 9.437 29.230 ( -5.763 0.000 4.779) 7.487 30.278 ( 30.093 0.000 -16.917) 34.523 31.417 ( -18.009 0.000 2.995) 18.257 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 36.921 0.000 15.883) 40.193 2.075 ( 32.033 0.000 30.434) 44.186 2.575 ( -33.785 0.000 10.226) 35.299 2.590 ( -15.403 0.000 24.765) 29.164 3.479 ( 50.336 0.000 22.379) 55.087 4.374 ( 14.914 0.000 1.143) 14.958 4.527 ( -50.725 0.000 7.048) 51.213 4.623 ( -10.565 0.000 -1.061) 10.618 4.872 ( -0.902 0.000 -6.499) 6.561 4.884 ( -2.750 0.000 -3.924) 4.792 5.571 ( 3.271 0.000 -0.411) 3.297 5.653 ( -4.211 0.000 2.462) 4.878 5.828 ( 3.983 0.000 -0.213) 3.989 5.894 ( -2.886 0.000 1.394) 3.205 6.063 ( 23.326 0.000 -0.621) 23.334 6.457 ( -6.543 0.000 -7.228) 9.749 6.563 ( 8.404 0.000 -7.192) 11.061 6.682 ( -2.672 0.000 -2.623) 3.744 6.986 ( -11.736 0.000 -0.716) 11.758 7.048 ( -11.505 0.000 -0.849) 11.537 7.253 ( 6.462 0.000 -7.560) 9.945 7.380 ( 14.188 0.000 -4.044) 14.754 7.435 ( -11.297 0.000 -3.740) 11.900 7.610 ( 5.452 0.000 -1.325) 5.611 7.686 ( -15.940 0.000 5.737) 16.941 7.740 ( -7.843 0.000 -0.931) 7.898 8.105 ( 18.763 0.000 -9.124) 20.863 8.255 ( 3.237 0.000 -4.219) 5.318 8.274 ( 1.056 0.000 -4.384) 4.510 8.326 ( -4.596 0.000 1.376) 4.798 8.753 ( 10.065 0.000 8.572) 13.221 8.889 ( 3.358 0.000 -6.143) 7.001 8.983 ( -13.249 0.000 6.226) 14.639 9.008 ( -8.089 0.000 -9.168) 12.226 9.539 ( 6.193 0.000 -7.002) 9.348 9.635 ( -2.971 0.000 -14.289) 14.595 9.962 ( 0.828 0.000 0.687) 1.076 9.970 ( -0.024 0.000 0.981) 0.982 10.221 ( 11.153 0.000 -2.073) 11.344 10.424 ( -3.828 0.000 0.761) 3.903 10.621 ( -0.509 0.000 3.440) 3.478 10.693 ( -7.919 0.000 8.539) 11.646 10.816 ( 9.871 0.000 -3.085) 10.342 10.995 ( -8.258 0.000 -3.159) 8.841 11.927 ( 7.105 0.000 -8.694) 11.228 12.075 ( -7.477 0.000 -9.705) 12.252 12.573 ( 4.264 0.000 9.922) 10.799 12.614 ( 0.248 0.000 4.044) 4.052 12.784 ( 6.445 0.000 -2.582) 6.943 12.923 ( -7.663 0.000 -1.464) 7.802 13.160 ( 0.769 0.000 4.974) 5.033 13.179 ( -1.317 0.000 5.282) 5.444 13.418 ( 16.848 0.000 -8.861) 19.036 13.689 ( -9.505 0.000 -5.438) 10.951 13.908 ( 13.917 0.000 -1.703) 14.021 14.133 ( 16.525 0.000 9.322) 18.973 14.175 ( -13.546 0.000 -3.885) 14.092 14.548 ( -25.548 0.000 10.708) 27.701 15.513 ( 7.244 0.000 1.170) 7.338 15.638 ( -5.557 0.000 0.527) 5.582 15.915 ( 13.175 0.000 -3.618) 13.662 16.172 ( -12.595 0.000 -2.570) 12.854 16.452 ( 12.884 0.000 -6.031) 14.226 16.719 ( -13.033 0.000 -10.554) 16.770 17.397 ( 9.116 0.000 1.050) 9.177 17.588 ( -11.450 0.000 5.255) 12.598 19.222 ( 4.535 0.000 -2.639) 5.247 19.301 ( -3.022 0.000 -5.371) 6.162 23.833 ( 2.195 0.000 0.285) 2.213 23.883 ( -2.897 0.000 0.304) 2.913 24.177 ( 3.290 0.000 -0.590) 3.342 24.234 ( -2.617 0.000 -0.510) 2.666 24.771 ( 1.185 0.000 1.627) 2.013 24.805 ( -2.276 0.000 1.685) 2.832 25.170 ( 7.801 0.000 -0.826) 7.845 25.315 ( -7.002 0.000 -1.589) 7.180 26.517 ( 0.986 0.000 1.561) 1.846 26.536 ( -0.839 0.000 4.284) 4.366 28.041 ( 13.808 0.000 -9.630) 16.834 28.280 ( -11.576 0.000 -0.776) 11.602 28.968 ( 7.843 0.000 5.559) 9.613 29.114 ( -6.849 0.000 4.159) 8.013 30.740 ( 19.425 0.000 -9.360) 21.563 31.079 ( -17.001 0.000 0.486) 17.008 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.000 30.387 28.168) 41.434 1.439 ( 0.000 31.661 35.474) 47.548 2.154 ( 0.000 50.254 47.098) 68.874 3.421 ( 0.000 5.030 15.087) 15.903 3.855 ( 0.000 13.550 3.100) 13.900 3.910 ( 0.000 24.414 4.667) 24.856 4.802 ( 0.000 -2.814 -4.358) 5.187 4.875 ( 0.000 -4.501 -5.568) 7.160 5.055 ( 0.000 2.507 4.248) 4.933 5.222 ( 0.000 -5.675 -4.270) 7.102 5.407 ( 0.000 -12.774 3.419) 13.223 5.467 ( 0.000 -9.458 -5.822) 11.107 5.637 ( 0.000 -10.577 13.719) 17.322 6.050 ( 0.000 11.238 -1.637) 11.357 6.264 ( 0.000 11.920 -5.954) 13.324 6.345 ( 0.000 1.929 -3.182) 3.721 6.505 ( 0.000 20.769 -5.774) 21.557 6.732 ( 0.000 1.739 0.730) 1.886 6.777 ( 0.000 4.488 -7.226) 8.506 7.156 ( 0.000 -9.410 -3.857) 10.169 7.218 ( 0.000 1.901 -12.185) 12.332 7.470 ( 0.000 8.471 -13.362) 15.820 7.596 ( 0.000 8.638 -1.032) 8.699 7.603 ( 0.000 -16.630 2.945) 16.888 7.802 ( 0.000 -8.990 3.440) 9.626 7.832 ( 0.000 6.986 -0.841) 7.037 8.108 ( 0.000 -4.252 -5.337) 6.823 8.188 ( 0.000 9.462 3.369) 10.044 8.396 ( 0.000 0.026 1.747) 1.747 8.397 ( 0.000 15.373 -3.629) 15.796 8.791 ( 0.000 6.065 2.712) 6.644 8.840 ( 0.000 9.326 3.323) 9.900 9.201 ( 0.000 3.191 -9.314) 9.846 9.396 ( 0.000 3.345 4.031) 5.238 9.424 ( 0.000 -4.025 -1.257) 4.217 9.459 ( 0.000 -3.157 -12.458) 12.851 9.954 ( 0.000 -1.217 0.370) 1.272 10.071 ( 0.000 3.315 -6.936) 7.687 10.134 ( 0.000 -1.858 -12.156) 12.297 10.312 ( 0.000 11.314 -6.554) 13.075 10.345 ( 0.000 -0.335 3.509) 3.525 10.551 ( 0.000 -0.403 -2.299) 2.334 10.997 ( 0.000 -12.648 -4.848) 13.546 11.438 ( 0.000 -0.007 -5.511) 5.511 11.783 ( 0.000 -33.494 25.415) 42.045 11.873 ( 0.000 -3.289 5.099) 6.068 12.260 ( 0.000 -5.880 -14.728) 15.859 12.401 ( 0.000 -2.977 12.963) 13.301 12.564 ( 0.000 -10.375 1.384) 10.467 12.867 ( 0.000 -1.266 14.147) 14.204 13.036 ( 0.000 3.671 -8.908) 9.635 13.221 ( 0.000 9.400 2.597) 9.752 13.327 ( 0.000 2.111 2.773) 3.485 13.497 ( 0.000 0.489 -1.891) 1.953 13.703 ( 0.000 12.573 -2.141) 12.754 13.980 ( 0.000 -5.723 1.742) 5.982 14.388 ( 0.000 -10.934 -6.694) 12.820 15.100 ( 0.000 -4.068 -3.422) 5.316 15.538 ( 0.000 19.993 -12.189) 23.416 15.727 ( 0.000 -1.882 0.256) 1.899 15.854 ( 0.000 6.136 -0.499) 6.156 16.207 ( 0.000 -4.753 0.645) 4.797 16.548 ( 0.000 -3.001 -4.305) 5.248 16.961 ( 0.000 -4.001 -7.994) 8.939 17.237 ( 0.000 9.853 -1.483) 9.964 18.237 ( 0.000 -31.924 28.813) 43.004 18.502 ( 0.000 -3.820 -9.950) 10.658 18.993 ( 0.000 -10.415 0.270) 10.419 24.031 ( 0.000 5.733 0.294) 5.741 24.210 ( 0.000 7.313 -2.153) 7.624 24.270 ( 0.000 3.859 0.494) 3.891 24.742 ( 0.000 7.222 -2.247) 7.563 24.911 ( 0.000 -2.813 2.569) 3.809 25.025 ( 0.000 12.782 -0.077) 12.782 25.418 ( 0.000 67.681 -69.887) 97.287 25.428 ( 0.000 -3.767 -2.116) 4.321 26.524 ( 0.000 0.054 0.346) 0.351 26.541 ( 0.000 2.988 2.585) 3.951 27.244 ( 0.000 0.050 1.941) 1.942 28.489 ( 0.000 -0.400 2.834) 2.862 28.963 ( 0.000 -1.289 6.342) 6.472 29.378 ( 0.000 1.585 9.923) 10.049 29.378 ( 0.000 -29.516 17.888) 34.514 31.085 ( 0.000 -31.134 15.008) 34.562 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.20 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 26.502 26.913 22.478) 43.954 1.700 ( 23.650 22.134 35.028) 47.710 2.539 ( 33.622 39.229 32.194) 60.875 3.312 ( -7.829 7.811 18.555) 21.601 3.416 ( -27.243 20.293 6.358) 34.560 4.236 ( 15.568 15.515 2.375) 22.107 4.751 ( -4.416 -4.542 -3.879) 7.428 4.867 ( -1.685 -1.745 -5.823) 6.309 4.982 ( -6.471 2.853 3.525) 7.902 5.263 ( -7.382 2.651 -3.350) 8.529 5.388 ( 6.870 -16.313 3.612) 18.065 5.519 ( 4.309 -5.952 -6.840) 10.038 5.692 ( 3.572 -4.979 9.937) 11.675 6.018 ( -6.948 3.938 0.726) 8.019 6.072 ( -3.648 9.974 -1.150) 10.683 6.362 ( -8.837 11.460 -6.632) 15.919 6.558 ( 10.604 7.121 -7.248) 14.686 6.701 ( 0.608 3.114 2.467) 4.019 6.950 ( 7.487 -3.467 -7.164) 10.927 7.096 ( 0.099 -6.194 -4.638) 7.738 7.242 ( -4.267 -4.161 -9.670) 11.359 7.410 ( -14.790 -4.319 2.167) 15.559 7.579 ( 2.214 -3.442 -6.212) 7.439 7.611 ( 1.899 4.375 -0.033) 4.770 7.732 ( -6.994 -6.187 1.498) 9.457 7.877 ( 8.617 10.987 -10.572) 17.514 8.058 ( -4.388 5.234 0.203) 6.833 8.220 ( 2.280 2.061 -2.531) 3.982 8.294 ( -3.962 9.557 -1.831) 10.507 8.411 ( 0.378 4.470 2.962) 5.376 8.788 ( -1.756 8.260 4.007) 9.347 8.883 ( 4.577 6.218 -0.006) 7.721 9.156 ( -4.724 2.345 -8.157) 9.713 9.284 ( -9.058 4.077 3.143) 10.418 9.415 ( 1.867 -1.686 -0.427) 2.551 9.555 ( 4.738 -4.991 -12.595) 14.353 9.961 ( 0.463 -0.450 0.106) 0.654 9.984 ( -1.319 1.191 -2.188) 2.819 10.184 ( -0.226 5.214 -8.905) 10.322 10.322 ( 6.148 -1.435 -2.212) 6.689 10.543 ( 9.292 0.292 -0.928) 9.343 10.626 ( 6.586 -0.171 -2.158) 6.933 10.889 ( -12.491 -10.710 0.453) 16.460 11.075 ( -14.567 -5.058 6.760) 16.837 11.844 ( 1.313 -0.344 -1.182) 1.800 12.115 ( 3.051 -11.183 -5.327) 12.757 12.269 ( 9.119 -15.375 -5.769) 18.784 12.456 ( 3.726 -2.536 8.567) 9.680 12.638 ( 6.969 -13.641 3.770) 15.775 12.860 ( 0.064 -0.464 9.169) 9.181 13.063 ( 1.101 -0.742 -1.408) 1.935 13.219 ( -5.214 5.895 0.838) 7.914 13.334 ( 8.393 7.115 -1.391) 11.090 13.607 ( 8.305 -2.561 -2.557) 9.059 13.851 ( 11.473 10.120 1.779) 15.401 13.950 ( -0.993 -5.022 2.364) 5.639 14.305 ( -7.638 -8.762 -5.380) 12.808 15.145 ( 0.234 -0.066 -5.162) 5.168 15.479 ( -14.428 14.723 -0.543) 20.622 15.692 ( -3.502 -2.329 0.288) 4.216 15.794 ( 4.339 5.045 -4.065) 7.798 16.184 ( 2.621 -2.667 2.394) 4.440 16.450 ( -8.700 -1.282 -2.411) 9.119 16.879 ( -7.970 -3.942 -9.159) 12.765 17.306 ( 6.211 7.485 -0.765) 9.756 17.843 ( -17.670 -4.518 12.326) 22.014 18.882 ( 15.954 -22.981 -3.909) 28.248 19.012 ( 1.832 -11.359 -0.371) 11.512 24.033 ( 0.343 7.249 0.195) 7.259 24.204 ( -1.361 3.976 -1.975) 4.643 24.265 ( -0.003 8.489 0.096) 8.490 24.662 ( -16.898 32.421 -12.595) 38.668 24.836 ( -7.715 8.950 -0.683) 11.836 24.918 ( -4.607 11.685 -0.493) 12.570 25.128 ( -0.583 14.334 -6.609) 15.795 25.392 ( -3.609 -3.202 -1.926) 5.195 26.523 ( 0.898 2.163 -1.194) 2.629 26.577 ( 0.422 3.517 5.154) 6.254 27.658 ( 23.681 -3.133 -17.357) 29.527 28.437 ( -7.773 -3.123 3.358) 9.025 28.854 ( 0.753 -1.787 9.390) 9.588 29.241 ( -4.416 1.026 4.183) 6.168 29.975 ( 33.744 -24.773 -1.060) 41.875 31.007 ( -7.641 -26.920 11.516) 30.261 ======================= Grid point 52 (21/90) ======================= q-point: ( 0.40 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 31.855 20.777 17.207) 41.743 2.218 ( 28.005 14.243 28.955) 42.727 2.722 ( -18.202 13.653 20.743) 30.789 2.846 ( -31.218 21.949 10.060) 39.465 3.672 ( 45.144 18.683 16.073) 51.433 4.400 ( -13.248 2.759 0.936) 13.564 4.627 ( -0.806 8.342 0.771) 8.416 4.813 ( -7.989 13.802 0.595) 15.959 4.849 ( -3.626 -2.280 1.209) 4.450 4.929 ( -13.862 4.930 0.580) 14.724 5.550 ( 6.038 -0.484 0.081) 6.058 5.625 ( 0.256 -1.152 -0.576) 1.313 5.802 ( 11.839 -8.390 -6.236) 15.794 5.939 ( -2.470 -1.788 1.952) 3.621 6.075 ( 4.647 5.889 2.832) 8.018 6.238 ( -6.806 -4.328 -5.217) 9.606 6.623 ( -1.567 -5.617 -1.947) 6.148 6.718 ( -6.433 2.326 -6.141) 9.193 6.929 ( 0.040 -3.263 -3.178) 4.555 7.048 ( -6.272 3.611 0.562) 7.259 7.209 ( 8.802 -3.432 -5.503) 10.933 7.357 ( 2.426 -0.919 -5.105) 5.726 7.459 ( -7.455 -1.766 -1.754) 7.860 7.542 ( -7.241 -5.947 0.647) 9.392 7.740 ( 6.924 10.546 -1.049) 12.659 7.915 ( -9.906 10.497 1.013) 14.468 8.151 ( 14.597 3.921 -9.816) 18.022 8.262 ( 1.778 0.185 -4.040) 4.418 8.269 ( -0.053 1.079 -3.686) 3.841 8.369 ( -5.880 5.020 -1.706) 7.918 8.859 ( 8.356 5.780 0.471) 10.171 8.934 ( 1.828 5.542 0.360) 5.847 9.035 ( -6.042 4.030 -2.083) 7.555 9.086 ( -10.905 7.336 2.808) 13.439 9.498 ( 5.466 -3.326 -6.068) 8.818 9.579 ( -2.137 -4.307 -10.753) 11.779 9.980 ( 1.483 0.929 0.227) 1.765 9.995 ( 0.454 1.427 0.969) 1.783 10.245 ( 7.554 2.023 -4.967) 9.264 10.403 ( -2.572 -1.834 0.784) 3.255 10.596 ( -3.705 -3.605 2.347) 5.678 10.635 ( -1.196 -3.704 4.434) 5.900 10.786 ( 4.322 -2.601 0.405) 5.061 10.900 ( -6.796 -8.089 -1.749) 10.709 11.917 ( 6.056 -1.175 -10.111) 11.845 12.043 ( -6.251 -3.109 -10.750) 12.818 12.449 ( 7.135 -11.806 -1.311) 13.857 12.515 ( 0.723 -5.559 2.602) 6.180 12.766 ( 5.570 -9.126 7.337) 12.967 12.844 ( -2.418 -3.421 9.096) 10.015 13.076 ( 0.961 -0.929 1.110) 1.737 13.122 ( -3.944 2.595 1.068) 4.841 13.552 ( 11.855 4.731 -5.383) 13.853 13.711 ( -1.933 -3.236 -3.366) 5.053 13.894 ( 4.586 -1.938 -1.723) 5.268 14.057 ( -6.840 -6.624 -4.405) 10.491 14.283 ( 18.080 10.399 8.314) 22.453 14.778 ( -29.649 16.563 5.601) 34.420 15.437 ( 7.605 -5.970 3.413) 10.253 15.588 ( -7.061 -4.130 1.271) 8.278 15.981 ( 11.084 5.410 -5.313) 13.430 16.186 ( -9.055 1.103 -2.961) 9.591 16.413 ( 10.918 -3.337 -4.312) 12.204 16.671 ( -13.229 -4.359 -9.379) 16.792 17.444 ( 7.736 4.734 0.300) 9.075 17.603 ( -9.294 2.010 3.548) 10.149 19.046 ( 2.966 -18.916 -3.702) 19.501 19.050 ( 1.584 -14.180 -1.959) 14.402 24.055 ( 2.378 10.459 -0.191) 10.727 24.132 ( -5.249 9.637 -1.242) 11.044 24.287 ( 2.316 12.500 -1.054) 12.756 24.370 ( -7.903 22.477 -3.532) 24.087 24.823 ( 1.773 4.799 1.564) 5.350 24.866 ( -2.430 5.838 1.420) 6.481 25.193 ( 5.161 2.641 -1.446) 5.975 25.300 ( -5.571 -1.295 -1.500) 5.913 26.546 ( 1.350 3.052 1.029) 3.492 26.569 ( -0.943 3.579 3.935) 5.402 27.995 ( 13.590 -4.426 -9.780) 17.318 28.233 ( -11.771 -4.590 -1.077) 12.680 28.975 ( 8.659 0.780 5.657) 10.373 29.132 ( -7.127 1.727 4.282) 8.492 30.494 ( 20.602 -21.617 -3.913) 30.118 30.808 ( -13.023 -21.794 3.699) 25.656 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 0.000 37.063 13.575) 39.471 2.075 ( 0.000 31.938 33.017) 45.936 3.306 ( 0.000 44.201 15.093) 46.707 3.688 ( 0.000 25.572 16.417) 30.388 4.220 ( 0.000 18.375 4.500) 18.917 4.414 ( 0.000 13.769 -0.966) 13.803 4.727 ( 0.000 -13.940 2.149) 14.105 4.728 ( 0.000 3.004 -1.556) 3.383 4.829 ( 0.000 -15.130 1.082) 15.168 5.139 ( 0.000 -0.845 0.222) 0.874 5.248 ( 0.000 -15.506 16.261) 22.469 5.289 ( 0.000 0.665 6.780) 6.813 5.534 ( 0.000 3.460 -0.253) 3.469 6.284 ( 0.000 -3.404 -4.758) 5.851 6.382 ( 0.000 14.431 -3.018) 14.743 6.512 ( 0.000 8.145 -11.823) 14.357 6.781 ( 0.000 2.717 -1.003) 2.896 6.827 ( 0.000 3.159 -4.336) 5.365 6.871 ( 0.000 1.447 -10.317) 10.418 7.027 ( 0.000 8.344 -5.604) 10.052 7.101 ( 0.000 -20.272 -2.874) 20.475 7.338 ( 0.000 0.863 -4.807) 4.884 7.629 ( 0.000 8.993 -0.771) 9.026 7.672 ( 0.000 -2.073 4.460) 4.918 7.822 ( 0.000 10.623 0.269) 10.626 7.996 ( 0.000 -4.777 -4.531) 6.584 8.039 ( 0.000 8.440 -13.276) 15.731 8.394 ( 0.000 1.758 4.139) 4.497 8.417 ( 0.000 9.050 -3.992) 9.891 8.691 ( 0.000 12.213 -4.512) 13.020 8.902 ( 0.000 7.553 2.437) 7.936 9.080 ( 0.000 12.791 8.044) 15.110 9.257 ( 0.000 1.582 -11.198) 11.309 9.364 ( 0.000 -5.595 -9.285) 10.840 9.394 ( 0.000 1.018 0.475) 1.123 9.468 ( 0.000 2.529 2.955) 3.889 9.886 ( 0.000 -5.774 -0.665) 5.812 10.019 ( 0.000 -6.027 -4.179) 7.334 10.073 ( 0.000 -4.113 -9.448) 10.305 10.324 ( 0.000 -2.531 0.536) 2.587 10.478 ( 0.000 2.464 -4.787) 5.383 10.625 ( 0.000 6.590 -4.004) 7.711 10.724 ( 0.000 -11.706 -5.181) 12.801 11.348 ( 0.000 -8.501 1.160) 8.579 11.381 ( 0.000 -6.601 12.708) 14.321 11.816 ( 0.000 -2.057 -0.401) 2.096 12.108 ( 0.000 -7.640 -13.068) 15.137 12.263 ( 0.000 -11.145 -0.645) 11.164 12.447 ( 0.000 0.895 12.186) 12.219 12.827 ( 0.000 -2.299 9.865) 10.129 13.064 ( 0.000 -1.225 -4.273) 4.445 13.362 ( 0.000 1.482 2.177) 2.634 13.465 ( 0.000 10.517 2.752) 10.871 13.503 ( 0.000 0.579 -4.276) 4.315 13.803 ( 0.000 -10.344 4.949) 11.467 13.843 ( 0.000 2.011 3.650) 4.168 14.118 ( 0.000 -11.664 -3.816) 12.272 14.933 ( 0.000 -10.331 1.976) 10.518 15.687 ( 0.000 -1.473 0.651) 1.611 15.814 ( 0.000 6.447 -6.244) 8.975 15.969 ( 0.000 -0.702 -1.191) 1.383 16.173 ( 0.000 7.601 0.110) 7.601 16.459 ( 0.000 -5.397 -4.345) 6.929 16.850 ( 0.000 -6.202 -7.055) 9.394 17.500 ( 0.000 13.837 -3.851) 14.363 17.916 ( 0.000 -3.322 10.394) 10.912 18.386 ( 0.000 -7.088 -9.876) 12.156 18.734 ( 0.000 -13.157 0.531) 13.168 24.198 ( 0.000 9.804 0.629) 9.824 24.237 ( 0.000 2.081 -0.209) 2.091 24.536 ( 0.000 12.776 -0.595) 12.790 24.797 ( 0.000 -3.723 1.061) 3.872 24.861 ( 0.000 2.252 2.591) 3.433 25.296 ( 0.000 -1.982 -2.151) 2.925 25.362 ( 0.000 11.560 -0.756) 11.585 26.208 ( 0.000 9.102 -35.141) 36.301 26.631 ( 0.000 12.574 -21.951) 25.297 26.651 ( 0.000 7.555 -0.600) 7.579 27.259 ( 0.000 1.973 3.154) 3.720 28.421 ( 0.000 -9.222 6.246) 11.138 28.846 ( 0.000 -16.138 23.218) 28.275 28.920 ( 0.000 -2.719 6.892) 7.409 29.439 ( 0.000 4.459 8.419) 9.527 30.547 ( 0.000 -22.075 8.585) 23.685 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 19.815 32.751 13.501) 40.590 2.236 ( 15.552 29.224 31.230) 45.510 3.340 ( -4.238 24.862 13.079) 28.410 3.753 ( 11.588 36.755 14.841) 41.297 3.892 ( -22.658 22.613 6.035) 32.576 4.489 ( 2.454 -3.356 2.447) 4.825 4.666 ( -3.548 5.136 -0.350) 6.252 4.832 ( 1.866 -2.684 4.989) 5.965 4.985 ( 13.983 -10.400 0.403) 17.431 5.073 ( -0.362 -13.773 -2.181) 13.949 5.210 ( 1.477 6.846 4.733) 8.453 5.464 ( 9.487 -5.577 12.236) 16.457 5.628 ( 7.018 4.356 -0.787) 8.298 6.059 ( -13.217 0.135 -4.563) 13.983 6.293 ( -7.645 9.138 -6.263) 13.461 6.595 ( -12.518 2.501 -8.661) 15.426 6.707 ( 7.533 5.343 -9.748) 13.428 6.751 ( -5.409 1.648 -2.948) 6.377 6.893 ( -9.097 0.627 -3.388) 9.727 7.009 ( 0.859 -4.830 1.253) 5.064 7.101 ( 6.011 -0.923 0.707) 6.122 7.379 ( 2.706 0.316 -6.961) 7.475 7.576 ( -7.477 3.526 -3.846) 9.117 7.609 ( -5.891 1.676 2.959) 6.802 7.826 ( 3.836 9.844 -1.595) 10.685 8.012 ( 1.920 -2.594 -3.090) 4.468 8.119 ( 6.934 6.455 -11.473) 14.879 8.368 ( -5.329 0.991 -6.204) 8.238 8.395 ( -0.853 10.829 4.047) 11.592 8.641 ( -2.986 13.358 -1.964) 13.828 8.891 ( 0.059 5.398 -2.947) 6.150 9.091 ( 0.589 10.473 7.247) 12.750 9.213 ( -3.848 2.348 -8.059) 9.234 9.347 ( -3.312 2.184 0.565) 4.007 9.424 ( -1.190 1.979 0.853) 2.462 9.447 ( 3.366 -4.571 -5.090) 7.624 9.915 ( 2.715 -4.453 -0.674) 5.259 9.981 ( -0.714 -1.356 -4.496) 4.750 10.163 ( 6.562 -5.951 -6.525) 11.003 10.331 ( 0.251 0.193 -2.445) 2.465 10.517 ( 2.175 -1.620 -1.373) 3.040 10.645 ( -6.998 -10.841 -4.479) 13.659 10.659 ( 2.276 0.552 -1.688) 2.887 10.984 ( -15.313 -1.561 9.754) 18.222 11.784 ( 10.335 -10.722 -3.376) 15.270 11.858 ( 11.003 -3.641 -3.587) 12.132 12.077 ( -1.177 -6.462 -11.328) 13.094 12.308 ( 3.473 -12.181 -2.174) 12.852 12.482 ( 4.070 0.592 12.334) 13.002 12.825 ( -0.990 -2.908 10.252) 10.702 13.075 ( 1.162 -0.220 -1.866) 2.209 13.308 ( -5.390 1.567 3.120) 6.422 13.491 ( 3.941 7.474 -1.331) 8.553 13.554 ( 3.846 -1.981 -3.620) 5.641 13.781 ( -1.299 -9.972 3.692) 10.713 13.931 ( 2.837 -6.497 -0.699) 7.124 14.162 ( 9.323 1.002 2.863) 9.804 15.014 ( 7.747 -9.076 1.354) 12.010 15.621 ( -9.402 -2.079 2.913) 10.060 15.720 ( -18.218 2.657 -0.814) 18.429 15.925 ( 7.856 6.227 -6.809) 12.118 16.186 ( 1.538 5.112 0.476) 5.359 16.396 ( -5.687 -3.801 -2.998) 7.469 16.767 ( -8.214 -6.196 -7.566) 12.772 17.529 ( 2.899 12.685 -2.799) 13.310 17.812 ( -7.148 2.403 4.390) 8.725 18.521 ( 9.572 -13.147 -6.277) 17.432 18.736 ( 0.019 -13.835 -0.163) 13.836 24.204 ( 0.577 9.166 0.505) 9.198 24.235 ( -0.216 2.611 -0.182) 2.626 24.543 ( 1.119 12.201 -0.560) 12.265 24.792 ( -1.304 -3.987 1.036) 4.321 24.889 ( 3.005 5.120 1.710) 6.178 25.277 ( -2.002 0.941 -2.197) 3.118 25.329 ( -3.091 8.263 -0.587) 8.842 25.680 ( -34.162 21.136 -19.923) 44.841 26.617 ( 2.035 7.418 -4.932) 9.137 26.722 ( 0.702 10.770 1.670) 10.922 27.562 ( 18.827 -5.785 -14.119) 24.234 28.296 ( -10.762 -11.163 5.575) 16.478 28.822 ( 6.833 -0.583 8.742) 11.111 29.241 ( 8.487 -3.716 3.956) 10.074 29.522 ( 17.041 -11.832 12.861) 24.409 30.491 ( -5.967 -22.476 7.499) 24.434 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 20.004 23.265 27.319) 41.082 2.673 ( 22.267 24.996 14.732) 36.574 3.116 ( -12.641 22.146 16.884) 30.583 3.354 ( -27.918 23.977 7.864) 37.632 4.192 ( 23.713 24.850 2.519) 34.440 4.528 ( -11.350 6.275 -2.386) 13.187 4.579 ( 7.923 -8.656 8.453) 14.462 4.755 ( -7.560 -5.072 8.978) 12.786 5.093 ( 2.687 9.150 -0.005) 9.536 5.179 ( -2.332 5.731 -0.334) 6.196 5.402 ( 17.747 -6.761 2.313) 19.131 5.581 ( 5.282 -9.199 1.123) 10.667 5.709 ( 0.489 6.895 -1.902) 7.169 5.882 ( -10.402 7.439 -9.190) 15.748 6.197 ( 2.943 4.354 -0.042) 5.256 6.373 ( -8.738 2.111 -3.893) 9.796 6.521 ( -10.628 1.252 3.979) 11.417 6.593 ( -12.080 -7.462 -1.756) 14.307 6.971 ( 9.572 3.268 -3.603) 10.737 7.079 ( 3.298 0.944 0.313) 3.445 7.182 ( 3.258 -1.663 -2.679) 4.534 7.352 ( -8.100 2.818 -9.831) 13.046 7.465 ( -0.408 0.683 -4.691) 4.758 7.499 ( -3.952 4.160 -2.029) 6.086 7.963 ( 9.067 9.472 -1.380) 13.185 8.072 ( 2.044 0.917 1.167) 2.527 8.192 ( -1.882 4.562 -5.317) 7.255 8.225 ( -6.014 -2.995 -3.448) 7.551 8.430 ( 5.955 12.251 -4.896) 14.475 8.563 ( -6.035 11.692 -5.123) 14.120 8.960 ( 6.455 5.078 -7.073) 10.839 9.065 ( -3.643 5.502 -0.981) 6.671 9.165 ( 0.450 6.949 5.484) 8.864 9.244 ( -6.683 6.738 3.836) 10.236 9.435 ( 2.851 -1.794 -3.631) 4.953 9.484 ( -0.983 -4.145 -5.225) 6.741 9.975 ( 2.958 -2.001 -0.549) 3.613 9.995 ( 1.079 -1.314 -1.221) 2.093 10.283 ( 4.850 0.891 -5.060) 7.065 10.358 ( 1.231 -2.479 0.091) 2.770 10.468 ( -3.280 -6.621 -2.993) 7.972 10.543 ( -3.922 -6.863 -0.562) 7.924 10.696 ( 1.462 -7.109 0.647) 7.286 10.765 ( -7.190 -1.377 6.941) 10.088 11.870 ( 4.279 -3.253 -12.071) 13.214 11.949 ( -3.202 -5.373 -11.530) 13.117 12.213 ( 10.700 -9.671 -5.280) 15.359 12.338 ( -1.945 -10.815 -4.097) 11.728 12.612 ( 8.751 -2.798 12.577) 15.576 12.762 ( -5.826 -3.937 11.000) 13.055 13.113 ( 3.030 1.300 1.212) 3.512 13.196 ( -5.530 1.939 2.608) 6.415 13.579 ( 3.964 -0.546 -1.141) 4.161 13.612 ( 1.076 -4.308 -2.283) 4.993 13.781 ( 2.441 -7.897 -0.790) 8.304 13.875 ( -5.827 -9.972 -5.030) 12.597 14.530 ( 25.900 11.173 7.367) 29.153 15.051 ( -20.807 7.427 1.269) 22.130 15.310 ( 2.243 -5.339 6.973) 9.065 15.498 ( -10.576 -3.984 1.588) 11.412 16.104 ( 7.990 5.344 -7.056) 11.924 16.213 ( -2.565 1.767 -2.530) 4.013 16.338 ( 5.613 -3.201 -2.059) 6.782 16.556 ( -12.951 -5.880 -7.022) 15.862 17.602 ( 4.468 10.035 -1.686) 11.113 17.695 ( -5.247 6.935 -0.119) 8.697 18.666 ( 5.142 -16.220 -3.790) 17.432 18.725 ( -1.436 -15.395 -1.821) 15.569 24.217 ( 0.732 7.039 0.195) 7.080 24.229 ( -0.451 4.332 -0.068) 4.356 24.597 ( 4.898 10.676 -0.695) 11.767 24.719 ( -6.355 2.920 -0.283) 6.999 24.974 ( 5.918 9.945 0.068) 11.572 25.143 ( -12.680 18.407 -3.865) 22.684 25.273 ( -1.180 -0.396 -1.092) 1.656 25.296 ( -4.516 6.847 -2.730) 8.644 26.668 ( 2.741 9.073 -0.888) 9.519 26.711 ( -1.585 10.447 2.446) 10.846 27.853 ( 12.540 -9.152 -9.730) 18.322 28.078 ( -11.414 -10.334 -1.600) 15.480 29.008 ( 10.621 2.522 6.044) 12.478 29.191 ( -7.755 4.037 4.624) 9.890 29.973 ( 22.242 -24.613 5.706) 33.662 30.311 ( -13.147 -23.726 5.285) 27.635 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 0.000 34.532 21.523) 40.691 2.789 ( 0.000 35.824 4.502) 36.106 3.797 ( 0.000 12.097 8.716) 14.910 4.102 ( 0.000 -6.366 3.221) 7.134 4.169 ( 0.000 -27.708 7.316) 28.658 4.447 ( 0.000 -2.694 7.769) 8.223 4.585 ( 0.000 6.814 11.439) 13.315 4.785 ( 0.000 -10.840 19.527) 22.334 4.952 ( 0.000 22.381 -4.003) 22.736 5.043 ( 0.000 12.984 0.971) 13.020 5.249 ( 0.000 13.819 5.997) 15.065 5.509 ( 0.000 17.427 6.069) 18.453 5.565 ( 0.000 -2.029 -0.781) 2.174 6.128 ( 0.000 -8.398 -3.541) 9.114 6.495 ( 0.000 -16.202 -3.650) 16.608 6.512 ( 0.000 -9.255 -3.402) 9.860 6.645 ( 0.000 -9.323 -7.911) 12.227 6.758 ( 0.000 -6.902 -7.626) 10.286 6.927 ( 0.000 14.022 -1.378) 14.089 7.000 ( 0.000 9.727 -2.041) 9.939 7.238 ( 0.000 3.571 -5.944) 6.934 7.371 ( 0.000 -1.685 -5.372) 5.630 7.746 ( 0.000 9.740 -0.252) 9.743 7.839 ( 0.000 10.116 -4.572) 11.101 7.979 ( 0.000 6.475 -5.763) 8.668 8.015 ( 0.000 4.668 -2.137) 5.134 8.134 ( 0.000 -0.463 -10.096) 10.106 8.346 ( 0.000 -4.539 -6.938) 8.291 8.663 ( 0.000 12.437 -0.531) 12.448 8.895 ( 0.000 6.295 -6.214) 8.845 9.089 ( 0.000 8.216 3.413) 8.897 9.243 ( 0.000 -5.019 -3.066) 5.882 9.281 ( 0.000 1.660 -10.198) 10.332 9.356 ( 0.000 9.387 5.468) 10.864 9.473 ( 0.000 -2.438 0.570) 2.504 9.507 ( 0.000 13.569 5.281) 14.560 9.713 ( 0.000 -10.055 0.755) 10.083 9.886 ( 0.000 -4.727 -6.207) 7.802 9.958 ( 0.000 -6.524 -8.778) 10.936 10.192 ( 0.000 -10.164 -1.495) 10.273 10.516 ( 0.000 1.524 -4.798) 5.034 10.564 ( 0.000 -3.511 -4.716) 5.880 10.718 ( 0.000 3.714 2.368) 4.405 11.115 ( 0.000 -12.729 4.335) 13.447 11.415 ( 0.000 6.681 -4.701) 8.170 11.730 ( 0.000 -6.983 -10.319) 12.460 11.987 ( 0.000 -3.730 -2.607) 4.551 12.033 ( 0.000 -9.075 0.839) 9.114 12.564 ( 0.000 10.266 10.485) 14.674 12.799 ( 0.000 0.695 6.229) 6.268 13.001 ( 0.000 -4.241 2.234) 4.793 13.256 ( 0.000 -13.678 5.262) 14.655 13.519 ( 0.000 0.631 -6.315) 6.346 13.592 ( 0.000 1.889 1.180) 2.227 13.624 ( 0.000 -4.437 1.141) 4.581 13.812 ( 0.000 -4.177 4.136) 5.878 14.085 ( 0.000 9.597 2.963) 10.044 14.681 ( 0.000 -13.621 3.807) 14.143 15.674 ( 0.000 0.287 1.701) 1.725 15.790 ( 0.000 -5.179 3.403) 6.197 16.028 ( 0.000 6.577 -5.028) 8.279 16.328 ( 0.000 -6.860 -4.611) 8.266 16.390 ( 0.000 9.929 -2.685) 10.286 16.713 ( 0.000 -6.636 -5.563) 8.659 17.776 ( 0.000 11.953 -5.676) 13.232 17.982 ( 0.000 8.164 1.289) 8.265 18.213 ( 0.000 -9.234 -9.388) 13.168 18.463 ( 0.000 -12.613 0.265) 12.616 24.327 ( 0.000 6.243 0.296) 6.250 24.424 ( 0.000 11.113 0.776) 11.140 24.660 ( 0.000 -7.816 1.454) 7.950 24.706 ( 0.000 2.543 0.532) 2.598 24.944 ( 0.000 4.233 1.849) 4.619 25.152 ( 0.000 -7.141 -0.435) 7.154 25.691 ( 0.000 15.398 -3.435) 15.777 26.178 ( 0.000 -6.813 -10.607) 12.607 26.825 ( 0.000 7.392 -8.303) 11.117 26.858 ( 0.000 6.559 -26.406) 27.208 27.365 ( 0.000 9.197 7.434) 11.826 28.071 ( 0.000 -20.297 13.912) 24.608 28.729 ( 0.000 0.709 10.423) 10.447 28.853 ( 0.000 -3.558 7.150) 7.987 29.573 ( 0.000 8.446 7.128) 11.052 30.126 ( 0.000 -17.993 6.171) 19.022 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.20 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 10.289 31.187 17.150) 37.049 2.949 ( 13.870 34.675 10.561) 38.811 3.755 ( -5.460 16.956 12.648) 21.847 4.082 ( -0.250 -15.062 2.978) 15.356 4.137 ( -9.002 -2.452 5.616) 10.890 4.399 ( 2.841 -8.087 7.035) 11.089 4.569 ( -10.186 -10.937 15.013) 21.184 4.762 ( 7.611 -5.600 11.270) 14.707 5.005 ( 3.318 15.308 -4.043) 16.177 5.036 ( -0.051 18.035 0.268) 18.037 5.377 ( 8.579 7.527 3.394) 11.907 5.528 ( 3.878 5.471 3.549) 7.587 5.743 ( 13.036 10.710 2.257) 17.021 6.014 ( -4.691 -2.923 -1.405) 5.703 6.368 ( -11.336 -9.067 -6.970) 16.103 6.453 ( -7.679 -9.886 -3.188) 12.917 6.574 ( -13.007 -5.431 -6.500) 15.522 6.770 ( 9.063 -10.818 -2.680) 14.365 6.909 ( 3.931 11.525 -7.271) 14.182 7.156 ( -3.698 5.837 -3.304) 7.659 7.192 ( 6.577 7.385 -3.078) 10.357 7.382 ( -1.293 -1.647 -6.986) 7.293 7.649 ( -10.653 6.180 3.857) 12.905 7.773 ( -5.386 9.851 -6.005) 12.732 8.006 ( 4.307 5.820 -2.716) 7.733 8.016 ( -0.056 4.438 -3.611) 5.722 8.172 ( 2.783 -1.401 -4.227) 5.252 8.347 ( -0.694 -2.400 -9.814) 10.127 8.670 ( 0.798 13.856 0.459) 13.887 8.865 ( -2.814 7.023 -6.426) 9.927 9.024 ( -2.651 5.609 -2.932) 6.862 9.212 ( -3.502 -1.118 -3.200) 4.874 9.277 ( -0.833 4.211 -0.449) 4.316 9.366 ( 0.963 0.501 -1.373) 1.751 9.435 ( -2.851 1.647 3.379) 4.718 9.508 ( -0.626 7.607 4.040) 8.636 9.792 ( 6.993 -4.512 0.092) 8.322 9.929 ( 2.197 -2.918 -6.181) 7.180 10.012 ( 7.131 -7.262 -7.795) 12.820 10.237 ( 3.645 -9.934 -1.565) 10.697 10.465 ( -5.211 -1.331 -4.349) 6.917 10.536 ( -1.640 -0.947 -3.545) 4.019 10.653 ( -6.561 1.276 2.502) 7.137 10.947 ( -11.941 -5.231 6.727) 14.670 11.623 ( 14.173 -2.198 -8.461) 16.653 11.775 ( 4.462 -5.347 -10.796) 12.847 11.985 ( 0.136 -2.975 -4.813) 5.660 12.066 ( 2.878 -9.675 -0.584) 10.111 12.584 ( 2.281 9.087 10.058) 13.746 12.788 ( -1.462 0.829 7.477) 7.663 13.021 ( 1.804 -4.672 3.647) 6.196 13.215 ( -3.861 -12.070 5.255) 13.719 13.532 ( 1.100 0.067 -4.505) 4.638 13.599 ( -0.007 2.735 -0.458) 2.773 13.607 ( -0.482 -5.207 1.264) 5.380 13.755 ( -3.648 -6.011 -0.542) 7.052 14.296 ( 18.729 9.637 5.841) 21.857 14.796 ( 11.352 -11.623 3.587) 16.639 15.591 ( -9.593 -0.299 3.311) 10.153 15.685 ( -11.791 -3.773 2.168) 12.569 16.049 ( 3.995 6.010 -4.523) 8.517 16.297 ( -2.437 -5.277 -3.690) 6.885 16.350 ( -3.429 8.190 -2.841) 9.322 16.635 ( -7.733 -6.226 -5.821) 11.508 17.795 ( 1.879 12.078 -4.860) 13.154 17.943 ( -2.992 9.535 -0.788) 10.025 18.273 ( 4.831 -11.086 -7.164) 14.056 18.453 ( -1.003 -13.000 -0.497) 13.048 24.332 ( 0.545 6.411 0.299) 6.441 24.411 ( -1.230 10.214 0.666) 10.310 24.657 ( -0.191 -6.567 0.952) 6.639 24.692 ( -1.080 0.180 1.122) 1.568 25.009 ( 6.263 5.155 1.051) 8.179 25.173 ( 2.444 -4.980 -0.418) 5.563 25.601 ( -8.328 12.143 -2.861) 15.000 25.883 ( -23.485 1.055 -9.366) 25.305 26.824 ( 4.373 11.243 -9.847) 15.572 26.995 ( 4.608 12.303 -6.526) 14.669 27.444 ( 7.535 -3.386 -4.688) 9.498 27.976 ( -8.236 -18.117 7.741) 21.354 28.844 ( 10.891 2.611 7.824) 13.662 29.071 ( 19.040 -8.546 8.366) 22.484 29.521 ( -4.983 6.869 7.836) 11.550 30.060 ( -6.924 -18.311 6.052) 20.490 ======================= Grid point 62 (27/90) ======================= q-point: ( 0.40 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( 14.615 25.991 19.787) 35.787 3.236 ( 10.518 28.035 14.313) 33.188 3.612 ( -4.166 24.706 12.365) 27.940 3.824 ( -19.225 20.981 5.307) 28.947 4.145 ( 6.645 -19.199 6.792) 21.421 4.322 ( -11.103 -17.921 12.492) 24.504 4.628 ( 14.696 -13.240 3.797) 20.142 4.857 ( -4.244 -17.522 5.385) 18.816 5.016 ( 0.824 17.663 -1.041) 17.713 5.045 ( -0.473 9.351 -2.355) 9.655 5.535 ( 7.226 4.587 0.982) 8.615 5.591 ( 1.680 0.665 0.170) 1.815 5.892 ( 7.953 7.082 -6.021) 12.233 6.071 ( -8.177 4.361 -6.897) 11.552 6.249 ( -0.533 -0.521 -1.875) 2.018 6.258 ( -8.473 -8.438 -2.992) 12.327 6.395 ( 11.080 4.417 3.928) 12.558 6.829 ( -19.681 16.497 -1.666) 25.735 7.020 ( 9.357 -4.034 -1.991) 10.382 7.116 ( 11.918 5.057 -5.643) 14.124 7.185 ( -6.566 3.366 -0.475) 7.394 7.394 ( -10.506 0.589 -8.195) 13.338 7.451 ( 4.049 -3.748 -3.663) 6.622 7.614 ( -10.383 2.595 -1.638) 10.828 8.062 ( 5.128 3.718 -3.992) 7.487 8.140 ( 4.521 3.918 0.129) 5.984 8.180 ( 0.645 1.755 -0.547) 1.948 8.296 ( -4.845 1.885 -5.692) 7.709 8.712 ( 3.780 14.006 -3.657) 14.961 8.796 ( -4.332 9.830 -7.173) 12.917 9.038 ( 3.417 0.638 -6.345) 7.235 9.125 ( -5.082 -0.958 -4.246) 6.691 9.288 ( 2.585 5.430 3.780) 7.103 9.354 ( -3.191 3.380 1.578) 4.909 9.414 ( 1.902 -0.391 0.462) 1.996 9.471 ( -3.137 2.260 2.624) 4.672 9.923 ( 5.224 -0.533 -2.139) 5.671 9.961 ( 0.848 -0.776 -4.877) 5.011 10.192 ( 9.666 -9.038 -4.546) 13.993 10.292 ( 0.854 -9.953 -3.053) 10.445 10.362 ( -2.973 1.566 -3.353) 4.747 10.461 ( -9.034 2.483 1.005) 9.422 10.576 ( 3.450 -5.159 1.282) 6.337 10.722 ( -10.610 -4.475 6.163) 13.060 11.810 ( 5.157 -1.205 -11.977) 13.096 11.854 ( 1.059 -2.628 -9.937) 10.333 12.034 ( 5.516 -7.758 -7.442) 12.083 12.104 ( -0.278 -10.779 -4.727) 11.773 12.651 ( 4.451 6.391 10.152) 12.796 12.736 ( -3.866 2.777 9.419) 10.553 13.062 ( 2.637 -6.325 5.228) 8.619 13.130 ( -4.396 -9.032 5.445) 11.426 13.552 ( 1.019 -0.474 -1.227) 1.663 13.574 ( -1.294 -0.511 0.446) 1.461 13.639 ( 2.486 -4.197 -3.296) 5.887 13.693 ( -3.001 -6.352 -3.454) 7.828 14.734 ( 25.577 8.712 6.243) 27.732 15.067 ( 12.988 -5.178 1.884) 14.108 15.260 ( -20.484 1.232 6.972) 21.673 15.417 ( -15.403 -4.146 1.858) 16.059 16.181 ( 7.910 2.524 -5.371) 9.888 16.267 ( -1.640 0.940 -3.014) 3.557 16.295 ( 0.545 0.803 -2.320) 2.515 16.445 ( -11.070 -4.546 -5.227) 13.058 17.840 ( 2.526 11.977 -3.605) 12.760 17.889 ( -2.620 11.203 -2.538) 11.782 18.361 ( 4.003 -13.243 -4.657) 14.597 18.422 ( -2.345 -13.605 -2.371) 14.008 24.350 ( 1.313 7.050 0.341) 7.179 24.381 ( -1.795 8.405 0.469) 8.607 24.659 ( 0.465 -4.941 0.702) 5.012 24.673 ( -0.881 -3.337 1.124) 3.629 25.174 ( 11.057 7.065 -0.706) 13.140 25.257 ( 6.531 0.392 -0.828) 6.595 25.417 ( -10.149 6.750 -1.463) 12.276 25.463 ( -18.130 6.511 -4.186) 19.714 26.930 ( 5.512 15.276 -4.146) 16.761 27.009 ( -2.279 17.252 -0.136) 17.402 27.614 ( 9.530 -13.401 -8.336) 18.437 27.800 ( -9.689 -15.972 -1.464) 18.738 29.088 ( 13.259 5.346 6.804) 15.833 29.303 ( -6.067 6.261 4.880) 9.992 29.540 ( 16.164 -15.539 9.268) 24.262 29.859 ( -14.085 -18.716 6.288) 24.253 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.406 ( 0.000 -0.055 2.003) 2.004 3.406 ( 0.000 0.055 2.003) 2.004 3.606 ( 0.000 -3.466 9.607) 10.213 3.606 ( 0.000 3.466 9.607) 10.213 4.259 ( 0.000 -15.130 15.482) 21.648 4.259 ( 0.000 15.130 15.482) 21.648 4.587 ( 0.000 -1.856 13.304) 13.432 4.587 ( 0.000 1.856 13.304) 13.432 5.342 ( 0.000 -0.152 -0.983) 0.994 5.342 ( 0.000 0.152 -0.983) 0.994 5.446 ( 0.000 -7.210 0.636) 7.238 5.446 ( 0.000 7.210 0.636) 7.238 6.012 ( 0.000 -15.134 -0.317) 15.137 6.012 ( 0.000 15.134 -0.317) 15.137 6.143 ( 0.000 -4.438 3.101) 5.414 6.143 ( 0.000 4.438 3.101) 5.414 6.634 ( 0.000 -3.397 -9.733) 10.309 6.634 ( 0.000 3.397 -9.733) 10.309 7.178 ( 0.000 -4.206 -2.177) 4.736 7.178 ( 0.000 4.206 -2.177) 4.736 7.231 ( 0.000 -9.153 -4.161) 10.054 7.231 ( 0.000 9.153 -4.161) 10.054 7.972 ( 0.000 -4.410 -3.906) 5.891 7.972 ( 0.000 4.410 -3.906) 5.891 8.033 ( 0.000 -2.292 -5.592) 6.043 8.033 ( 0.000 2.292 -5.592) 6.043 8.192 ( 0.000 -10.210 -9.348) 13.843 8.192 ( 0.000 10.210 -9.348) 13.843 8.889 ( 0.000 -7.098 -6.160) 9.398 8.889 ( 0.000 7.098 -6.160) 9.398 9.182 ( 0.000 -1.663 4.143) 4.465 9.182 ( 0.000 1.663 4.143) 4.465 9.373 ( 0.000 -6.226 -6.051) 8.682 9.373 ( 0.000 6.226 -6.051) 8.682 9.509 ( 0.000 -8.208 4.427) 9.326 9.509 ( 0.000 8.208 4.427) 9.326 9.820 ( 0.000 -7.927 -7.691) 11.045 9.820 ( 0.000 7.927 -7.691) 11.045 9.927 ( 0.000 -12.486 1.437) 12.569 9.927 ( 0.000 12.486 1.437) 12.569 10.533 ( 0.000 -0.400 -5.539) 5.554 10.533 ( 0.000 0.400 -5.539) 5.554 10.859 ( 0.000 -10.264 3.968) 11.004 10.859 ( 0.000 10.264 3.968) 11.004 11.569 ( 0.000 -7.501 -12.060) 14.202 11.569 ( 0.000 7.501 -12.060) 14.202 11.936 ( 0.000 -0.081 2.524) 2.525 11.936 ( 0.000 0.081 2.524) 2.525 12.827 ( 0.000 -6.481 4.446) 7.860 12.827 ( 0.000 6.481 4.446) 7.860 12.938 ( 0.000 -6.071 9.266) 11.078 12.938 ( 0.000 6.071 9.266) 11.078 13.535 ( 0.000 -1.588 -4.798) 5.054 13.535 ( 0.000 1.588 -4.798) 5.054 13.702 ( 0.000 -5.618 3.060) 6.398 13.702 ( 0.000 5.618 3.060) 6.398 14.372 ( 0.000 -15.276 4.443) 15.909 14.372 ( 0.000 15.276 4.443) 15.909 15.704 ( 0.000 -2.718 3.103) 4.125 15.704 ( 0.000 2.718 3.103) 4.125 16.178 ( 0.000 -7.328 -4.986) 8.863 16.178 ( 0.000 7.328 -4.986) 8.863 16.569 ( 0.000 -7.385 -3.857) 8.332 16.569 ( 0.000 7.385 -3.857) 8.332 18.006 ( 0.000 -10.324 -7.973) 13.044 18.006 ( 0.000 10.324 -7.973) 13.044 18.204 ( 0.000 -11.922 -0.163) 11.923 18.204 ( 0.000 11.922 -0.163) 11.923 24.483 ( 0.000 -8.128 0.647) 8.153 24.483 ( 0.000 8.128 0.647) 8.153 24.640 ( 0.000 -7.854 1.194) 7.944 24.640 ( 0.000 7.854 1.194) 7.944 25.032 ( 0.000 -4.414 0.947) 4.514 25.032 ( 0.000 4.414 0.947) 4.514 25.980 ( 0.000 -11.801 -6.004) 13.240 25.980 ( 0.000 11.801 -6.004) 13.240 26.913 ( 0.000 -0.844 -17.357) 17.377 26.913 ( 0.000 0.844 -17.357) 17.377 27.659 ( 0.000 -17.935 11.841) 21.491 27.659 ( 0.000 17.935 11.841) 21.491 28.779 ( 0.000 -3.299 7.642) 8.324 28.779 ( 0.000 3.299 7.642) 8.324 29.798 ( 0.000 -13.169 6.289) 14.593 29.798 ( 0.000 13.169 6.289) 14.593 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( 6.848 -18.042 5.540) 20.077 3.474 ( 6.848 18.042 5.540) 20.077 3.706 ( 9.347 -21.215 9.541) 25.070 3.706 ( 9.347 21.215 9.541) 25.070 4.192 ( -6.253 -16.242 13.791) 22.206 4.192 ( -6.253 16.242 13.791) 22.206 4.530 ( -5.820 -9.318 10.754) 15.374 4.530 ( -5.820 9.318 10.754) 15.374 5.362 ( 1.599 -1.721 -1.528) 2.802 5.362 ( 1.599 1.721 -1.528) 2.802 5.446 ( 0.360 -3.862 1.395) 4.122 5.446 ( 0.360 3.862 1.395) 4.122 5.992 ( -3.992 -9.463 -3.168) 10.748 5.992 ( -3.992 9.463 -3.168) 10.748 6.252 ( 12.193 -18.388 3.367) 22.319 6.252 ( 12.193 18.388 3.367) 22.319 6.544 ( -7.164 -4.171 -6.449) 10.503 6.544 ( -7.164 4.171 -6.449) 10.503 7.144 ( 1.616 -8.437 -7.616) 11.480 7.144 ( 1.616 8.437 -7.616) 11.480 7.297 ( 0.586 -5.552 -3.332) 6.501 7.297 ( 0.586 5.552 -3.332) 6.501 7.836 ( -13.271 -6.926 0.312) 14.973 7.836 ( -13.271 6.926 0.312) 14.973 8.062 ( 3.290 -0.481 -5.484) 6.413 8.062 ( 3.290 0.481 -5.484) 6.413 8.236 ( 3.216 -7.662 -6.946) 10.830 8.236 ( 3.216 7.662 -6.946) 10.830 8.895 ( 0.850 -5.116 -6.368) 8.213 8.895 ( 0.850 5.116 -6.368) 8.213 9.123 ( -4.938 -5.524 0.303) 7.416 9.123 ( -4.938 5.524 0.303) 7.416 9.378 ( 0.401 -4.014 -3.590) 5.400 9.378 ( 0.401 4.014 -3.590) 5.400 9.480 ( -2.456 -7.035 4.103) 8.506 9.480 ( -2.456 7.035 4.103) 8.506 9.895 ( 6.256 -4.278 -6.920) 10.263 9.895 ( 6.256 4.278 -6.920) 10.263 9.973 ( 4.397 -12.919 1.117) 13.692 9.973 ( 4.397 12.919 1.117) 13.692 10.491 ( -3.507 -2.698 -4.625) 6.400 10.491 ( -3.507 2.698 -4.625) 6.400 10.770 ( -8.478 -9.002 3.978) 12.991 10.770 ( -8.478 9.002 3.978) 12.991 11.666 ( 8.648 -4.658 -12.034) 15.534 11.666 ( 8.648 4.658 -12.034) 15.534 11.948 ( 0.727 -1.171 -0.191) 1.392 11.948 ( 0.727 1.171 -0.191) 1.392 12.826 ( 0.259 -6.784 5.417) 8.685 12.826 ( 0.259 6.784 5.417) 8.685 12.933 ( -0.830 -4.090 9.335) 10.225 12.933 ( -0.830 4.090 9.335) 10.225 13.544 ( 0.907 -1.251 -4.401) 4.664 13.544 ( 0.907 1.251 -4.401) 4.664 13.664 ( -3.113 -3.736 1.373) 5.053 13.664 ( -3.113 3.736 1.373) 5.053 14.537 ( 15.714 -12.552 4.917) 20.704 14.537 ( 15.714 12.552 4.917) 20.704 15.614 ( -9.831 -2.492 3.154) 10.621 15.614 ( -9.831 2.492 3.154) 10.621 16.177 ( 0.697 -6.047 -4.144) 7.364 16.177 ( 0.697 6.047 -4.144) 7.364 16.504 ( -6.180 -6.490 -4.180) 9.889 16.504 ( -6.180 6.490 -4.180) 9.889 18.033 ( 2.552 -10.478 -7.017) 12.867 18.033 ( 2.552 10.478 -7.017) 12.867 18.189 ( -1.509 -11.773 -0.870) 11.901 18.189 ( -1.509 11.773 -0.870) 11.901 24.489 ( 0.640 -8.040 0.640) 8.091 24.489 ( 0.640 8.040 0.640) 8.091 24.611 ( -2.638 -7.544 1.054) 8.061 24.611 ( -2.638 7.544 1.054) 8.061 25.092 ( 6.034 -3.185 0.698) 6.859 25.092 ( 6.034 3.185 0.698) 6.859 25.808 ( -14.857 -7.223 -4.961) 17.248 25.808 ( -14.857 7.223 -4.961) 17.248 27.039 ( 10.675 -7.559 -14.250) 19.343 27.039 ( 10.675 7.559 -14.250) 19.343 27.593 ( -6.206 -16.526 7.699) 19.258 27.593 ( -6.206 16.526 7.699) 19.258 28.927 ( 13.925 -5.278 7.960) 16.885 28.927 ( 13.925 5.278 7.960) 16.885 29.732 ( -6.927 -12.909 6.381) 15.979 29.732 ( -6.927 12.909 6.381) 15.979 ======================= Grid point 69 (30/90) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.651 ( 10.887 -19.896 11.489) 25.424 3.651 ( 10.887 19.896 11.489) 25.424 3.826 ( -3.169 -19.699 15.559) 25.302 3.826 ( -3.169 19.699 15.559) 25.302 4.140 ( 6.598 -25.170 5.090) 26.514 4.140 ( 6.598 25.170 5.090) 26.514 4.360 ( -11.805 -23.431 7.136) 27.190 4.360 ( -11.805 23.431 7.136) 27.190 5.396 ( 2.175 -5.751 -1.926) 6.443 5.396 ( 2.175 5.751 -1.926) 6.443 5.441 ( -1.720 -5.364 -0.022) 5.633 5.441 ( -1.720 5.364 -0.022) 5.633 5.990 ( 6.051 -4.854 -3.474) 8.500 5.990 ( 6.051 4.854 -3.474) 8.500 6.199 ( -13.318 -1.807 -4.848) 14.288 6.199 ( -13.318 1.807 -4.848) 14.288 6.746 ( 23.195 -18.852 0.398) 29.893 6.746 ( 23.195 18.852 0.398) 29.893 7.133 ( -12.128 -9.674 -8.578) 17.727 7.133 ( -12.128 9.674 -8.578) 17.727 7.290 ( 6.423 -8.758 -3.755) 11.492 7.290 ( 6.423 8.758 -3.755) 11.492 7.518 ( -16.551 -9.432 3.278) 19.329 7.518 ( -16.551 9.432 3.278) 19.329 8.167 ( 6.332 -3.240 -3.459) 7.909 8.167 ( 6.332 3.240 -3.459) 7.909 8.255 ( -1.956 -4.580 -3.927) 6.342 8.255 ( -1.956 4.580 -3.927) 6.342 8.937 ( 3.701 -2.218 -5.948) 7.348 8.937 ( 3.701 2.218 -5.948) 7.348 9.025 ( -5.052 -5.353 -3.995) 8.375 9.025 ( -5.052 5.353 -3.995) 8.375 9.393 ( 1.368 -0.427 0.123) 1.439 9.393 ( 1.368 0.427 0.123) 1.439 9.431 ( -2.444 -4.530 2.773) 5.847 9.431 ( -2.444 4.530 2.773) 5.847 10.013 ( 5.204 -5.820 -5.050) 9.299 10.013 ( 5.204 5.820 -5.050) 9.299 10.053 ( 1.969 -10.076 -1.390) 10.360 10.053 ( 1.969 10.076 -1.390) 10.360 10.455 ( 1.664 -5.827 -1.516) 6.247 10.455 ( 1.664 5.827 -1.516) 6.247 10.580 ( -9.924 -7.635 2.415) 12.752 10.580 ( -9.924 7.635 2.415) 12.752 11.836 ( 7.778 -1.665 -10.281) 12.999 11.836 ( 7.778 1.665 -10.281) 12.999 11.937 ( -2.570 -2.074 -5.759) 6.639 11.937 ( -2.570 2.074 -5.759) 6.639 12.849 ( 2.216 -5.136 7.446) 9.313 12.849 ( 2.216 5.136 7.446) 9.313 12.900 ( -2.540 -2.717 8.951) 9.694 12.900 ( -2.540 2.717 8.951) 9.694 13.568 ( 1.640 -0.762 -3.203) 3.678 13.568 ( 1.640 0.762 -3.203) 3.678 13.607 ( -2.506 -1.752 -1.242) 3.300 13.607 ( -2.506 1.752 -1.242) 3.300 14.913 ( 21.960 -8.384 4.757) 23.983 14.913 ( 21.960 8.384 4.757) 23.983 15.325 ( -19.541 -4.224 3.811) 20.353 15.325 ( -19.541 4.224 3.811) 20.353 16.232 ( 5.170 -2.328 -3.540) 6.685 16.232 ( 5.170 2.328 -3.540) 6.685 16.362 ( -7.807 -3.583 -4.061) 9.501 16.362 ( -7.807 3.583 -4.061) 9.501 18.091 ( 3.227 -10.876 -4.924) 12.367 18.091 ( 3.227 10.876 -4.924) 12.367 18.149 ( -2.641 -11.368 -2.670) 11.973 18.149 ( -2.641 11.368 -2.670) 11.973 24.511 ( 1.721 -7.799 0.673) 8.015 24.511 ( 1.721 7.799 0.673) 8.015 24.555 ( -2.804 -7.526 0.819) 8.073 24.555 ( -2.804 7.526 0.819) 8.073 25.255 ( 10.905 -1.270 -0.315) 10.983 25.255 ( 10.905 1.270 -0.315) 10.983 25.507 ( -15.094 -1.667 -2.384) 15.371 25.507 ( -15.094 1.667 -2.384) 15.371 27.253 ( 10.850 -11.233 -7.734) 17.427 27.253 ( 10.850 11.233 -7.734) 17.427 27.444 ( -8.970 -13.906 -0.061) 16.548 27.444 ( -8.970 13.906 -0.061) 16.548 29.240 ( 17.001 -9.125 7.501) 20.702 29.240 ( 17.001 9.125 7.501) 20.702 29.536 ( -13.212 -11.796 6.757) 18.957 29.536 ( -13.212 11.796 6.757) 18.957 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.000 0.000 38.390) 38.390 1.795 ( 0.000 0.000 42.021) 42.021 3.156 ( 0.000 0.000 65.303) 65.303 3.780 ( 0.000 0.000 4.198) 4.198 3.797 ( 0.000 0.000 10.438) 10.438 3.872 ( 0.000 0.000 26.038) 26.038 4.671 ( 0.000 0.000 -5.634) 5.634 4.710 ( 0.000 0.000 -10.731) 10.731 5.131 ( 0.000 0.000 3.537) 3.537 5.216 ( 0.000 0.000 3.425) 3.425 5.425 ( 0.000 0.000 -5.405) 5.405 5.536 ( 0.000 0.000 -11.177) 11.177 5.825 ( 0.000 0.000 -1.023) 1.023 5.905 ( 0.000 0.000 -8.254) 8.254 6.054 ( 0.000 0.000 -3.077) 3.077 6.191 ( 0.000 0.000 -4.228) 4.228 6.469 ( 0.000 0.000 18.996) 18.996 6.759 ( 0.000 0.000 2.563) 2.563 6.771 ( 0.000 0.000 6.278) 6.278 6.861 ( 0.000 0.000 -15.706) 15.706 6.919 ( 0.000 0.000 -13.644) 13.644 7.306 ( 0.000 0.000 5.191) 5.191 7.433 ( 0.000 0.000 -3.309) 3.309 7.693 ( 0.000 0.000 -5.908) 5.908 7.926 ( 0.000 0.000 -5.885) 5.885 8.053 ( 0.000 0.000 -0.171) 0.171 8.054 ( 0.000 0.000 -5.550) 5.550 8.056 ( 0.000 0.000 -3.371) 3.371 8.139 ( 0.000 0.000 7.920) 7.920 8.429 ( 0.000 0.000 -9.159) 9.159 8.715 ( 0.000 0.000 -7.133) 7.133 8.808 ( 0.000 0.000 13.031) 13.031 9.077 ( 0.000 0.000 3.618) 3.618 9.163 ( 0.000 0.000 -17.223) 17.223 9.364 ( 0.000 0.000 -4.000) 4.000 9.445 ( 0.000 0.000 4.157) 4.157 9.798 ( 0.000 0.000 -19.545) 19.545 9.919 ( 0.000 0.000 0.768) 0.768 9.989 ( 0.000 0.000 1.305) 1.305 10.255 ( 0.000 0.000 2.788) 2.788 10.383 ( 0.000 0.000 -2.439) 2.439 10.494 ( 0.000 0.000 -3.480) 3.480 11.067 ( 0.000 0.000 -6.290) 6.290 11.286 ( 0.000 0.000 -1.327) 1.327 11.805 ( 0.000 0.000 -17.497) 17.497 12.161 ( 0.000 0.000 -1.369) 1.369 12.399 ( 0.000 0.000 -5.940) 5.940 12.534 ( 0.000 0.000 -16.692) 16.692 12.575 ( 0.000 0.000 -1.990) 1.990 13.162 ( 0.000 0.000 3.030) 3.030 13.163 ( 0.000 0.000 11.712) 11.712 13.239 ( 0.000 0.000 17.012) 17.012 13.251 ( 0.000 0.000 6.334) 6.334 13.377 ( 0.000 0.000 3.857) 3.857 13.534 ( 0.000 0.000 1.459) 1.459 14.079 ( 0.000 0.000 3.879) 3.879 14.286 ( 0.000 0.000 -13.221) 13.221 14.926 ( 0.000 0.000 -2.757) 2.757 15.400 ( 0.000 0.000 5.048) 5.048 15.749 ( 0.000 0.000 -0.388) 0.388 15.807 ( 0.000 0.000 0.982) 0.982 16.244 ( 0.000 0.000 0.805) 0.805 16.425 ( 0.000 0.000 -10.925) 10.925 16.816 ( 0.000 0.000 -8.317) 8.317 17.119 ( 0.000 0.000 -0.352) 0.352 18.288 ( 0.000 0.000 -13.593) 13.593 19.067 ( 0.000 0.000 0.848) 0.848 19.089 ( 0.000 0.000 -2.453) 2.453 23.800 ( 0.000 0.000 0.712) 0.712 24.011 ( 0.000 0.000 1.873) 1.873 24.032 ( 0.000 0.000 -2.289) 2.289 24.272 ( 0.000 0.000 -1.087) 1.087 24.790 ( 0.000 0.000 0.144) 0.144 24.884 ( 0.000 0.000 0.114) 0.114 25.023 ( 0.000 0.000 4.414) 4.414 25.414 ( 0.000 0.000 -2.309) 2.309 26.556 ( 0.000 0.000 1.475) 1.475 26.592 ( 0.000 0.000 3.705) 3.705 27.300 ( 0.000 0.000 3.775) 3.775 28.542 ( 0.000 0.000 0.641) 0.641 29.144 ( 0.000 0.000 9.580) 9.580 29.614 ( 0.000 0.000 -7.354) 7.354 29.654 ( 0.000 0.000 16.399) 16.399 31.458 ( 0.000 0.000 -10.893) 10.893 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 19.521 0.000 33.321) 38.618 2.130 ( 29.765 0.000 35.072) 46.000 3.299 ( 10.595 0.000 53.085) 54.132 3.369 ( -24.108 0.000 11.469) 26.697 3.815 ( -1.649 0.000 33.480) 33.521 4.127 ( 15.814 0.000 4.019) 16.317 4.642 ( -2.684 0.000 -6.138) 6.699 4.708 ( -0.186 0.000 -9.502) 9.504 5.010 ( -10.100 0.000 0.978) 10.148 5.126 ( -9.126 0.000 -5.670) 10.743 5.473 ( -0.604 0.000 3.859) 3.906 5.629 ( 7.291 0.000 -8.462) 11.170 5.630 ( -6.811 0.000 -0.939) 6.875 5.904 ( -0.755 0.000 -6.866) 6.908 6.242 ( 5.702 0.000 -5.853) 8.171 6.253 ( 10.033 0.000 -2.736) 10.399 6.395 ( -5.058 0.000 23.562) 24.099 6.737 ( -4.518 0.000 -1.424) 4.737 6.747 ( 8.814 0.000 -11.142) 14.207 6.920 ( 6.794 0.000 -8.478) 10.864 7.226 ( -6.097 0.000 5.115) 7.958 7.318 ( 22.634 0.000 -11.144) 25.229 7.463 ( 2.778 0.000 -3.175) 4.219 7.576 ( -9.793 0.000 -5.240) 11.107 7.618 ( -24.443 0.000 -0.384) 24.446 7.847 ( -7.318 0.000 -4.495) 8.588 8.078 ( 4.498 0.000 -4.001) 6.020 8.130 ( -15.092 0.000 3.029) 15.393 8.132 ( 3.572 0.000 -3.916) 5.300 8.369 ( -4.140 0.000 -9.582) 10.438 8.736 ( 3.351 0.000 -5.456) 6.403 8.848 ( 4.111 0.000 12.477) 13.137 8.972 ( -5.827 0.000 -5.566) 8.058 9.268 ( 5.188 0.000 -11.566) 12.676 9.338 ( -9.451 0.000 5.457) 10.913 9.410 ( 2.614 0.000 -1.865) 3.211 9.914 ( 9.881 0.000 -11.599) 15.237 9.948 ( 2.058 0.000 0.681) 2.168 9.993 ( 0.325 0.000 1.359) 1.397 10.355 ( 11.895 0.000 2.188) 12.095 10.499 ( 8.422 0.000 -3.630) 9.171 10.565 ( 6.929 0.000 -4.021) 8.012 11.023 ( -4.487 0.000 -6.140) 7.605 11.112 ( -16.882 0.000 2.126) 17.015 11.739 ( -5.108 0.000 -14.599) 15.467 11.997 ( -8.861 0.000 -5.861) 10.624 12.428 ( 2.014 0.000 -13.842) 13.988 12.621 ( 4.645 0.000 -1.627) 4.922 12.702 ( 0.798 0.000 -11.698) 11.725 12.971 ( 10.822 0.000 13.657) 17.425 13.076 ( -7.614 0.000 1.838) 7.832 13.266 ( 1.028 0.000 6.490) 6.571 13.337 ( -2.181 0.000 5.623) 6.031 13.652 ( 9.458 0.000 -0.594) 9.477 13.713 ( 19.743 0.000 12.036) 23.123 14.058 ( 1.493 0.000 3.433) 3.743 14.219 ( -6.608 0.000 -11.415) 13.190 14.927 ( -2.575 0.000 -3.046) 3.988 15.445 ( 4.376 0.000 3.927) 5.880 15.723 ( -2.618 0.000 -0.156) 2.623 15.767 ( -1.365 0.000 2.876) 3.184 16.218 ( -1.780 0.000 -0.066) 1.781 16.373 ( -4.846 0.000 -7.083) 8.582 16.689 ( -10.932 0.000 -10.385) 15.078 17.222 ( 8.647 0.000 -0.288) 8.652 18.020 ( -20.635 0.000 -2.254) 20.758 19.082 ( 2.036 0.000 -4.468) 4.910 19.160 ( 3.425 0.000 -4.102) 5.343 23.810 ( 1.114 0.000 0.657) 1.293 23.951 ( -3.410 0.000 0.290) 3.422 24.094 ( 3.672 0.000 -0.700) 3.739 24.258 ( -1.415 0.000 -1.034) 1.753 24.789 ( 0.206 0.000 0.845) 0.869 24.876 ( -1.437 0.000 0.323) 1.473 25.059 ( 4.092 0.000 3.003) 5.076 25.378 ( -3.607 0.000 -1.982) 4.115 26.523 ( 0.864 0.000 2.059) 2.233 26.684 ( 2.488 0.000 6.830) 7.269 27.454 ( 15.425 0.000 -6.413) 16.705 28.476 ( -9.044 0.000 -2.713) 9.442 29.079 ( -1.957 0.000 10.408) 10.590 29.389 ( -7.092 0.000 9.053) 11.500 30.110 ( 26.725 0.000 -1.333) 26.759 31.333 ( -12.275 0.000 -8.146) 14.732 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 27.830 0.000 24.447) 37.043 2.736 ( 30.118 0.000 31.074) 43.275 2.867 ( -27.859 0.000 17.053) 32.664 3.220 ( -18.644 0.000 32.077) 37.102 4.116 ( 30.681 0.000 35.594) 46.992 4.397 ( 12.044 0.000 0.511) 12.054 4.568 ( -5.641 0.000 -4.561) 7.254 4.717 ( 1.911 0.000 -7.041) 7.296 4.736 ( -29.840 0.000 10.927) 31.777 4.816 ( -8.681 0.000 -2.064) 8.924 5.508 ( 7.553 0.000 -5.164) 9.149 5.627 ( -1.520 0.000 -0.413) 1.575 5.763 ( 6.210 0.000 -6.590) 9.054 5.860 ( -3.812 0.000 -5.903) 7.027 6.275 ( 0.536 0.000 15.247) 15.256 6.372 ( -3.776 0.000 3.743) 5.317 6.404 ( 10.300 0.000 -7.016) 12.462 6.600 ( -9.278 0.000 -5.922) 11.007 6.956 ( 3.037 0.000 -3.623) 4.728 7.033 ( -8.220 0.000 1.818) 8.419 7.104 ( 11.582 0.000 -5.027) 12.626 7.320 ( 9.565 0.000 -1.647) 9.706 7.341 ( -12.507 0.000 -4.596) 13.325 7.562 ( 5.873 0.000 -3.326) 6.749 7.696 ( -7.808 0.000 -3.561) 8.582 7.698 ( -18.949 0.000 -5.151) 19.636 7.876 ( 17.989 0.000 -10.708) 20.935 8.155 ( 2.763 0.000 -4.836) 5.570 8.175 ( 0.689 0.000 -4.621) 4.672 8.217 ( -13.203 0.000 -12.706) 18.324 8.797 ( 3.008 0.000 -4.573) 5.474 8.868 ( -4.630 0.000 -5.477) 7.172 8.963 ( 7.729 0.000 10.825) 13.301 9.139 ( -10.344 0.000 8.189) 13.193 9.359 ( 4.168 0.000 -7.391) 8.486 9.417 ( -1.611 0.000 -3.789) 4.117 9.979 ( 1.160 0.000 0.847) 1.436 9.994 ( -0.362 0.000 1.191) 1.245 10.178 ( 17.562 0.000 -2.751) 17.777 10.496 ( -8.361 0.000 3.793) 9.181 10.643 ( 8.778 0.000 -0.772) 8.812 10.730 ( 9.403 0.000 -4.957) 10.630 10.795 ( -10.187 0.000 1.566) 10.306 10.901 ( -7.962 0.000 -5.694) 9.788 11.698 ( 2.584 0.000 -13.753) 13.994 11.829 ( -9.130 0.000 -11.204) 14.453 12.510 ( 6.109 0.000 -14.606) 15.832 12.624 ( -5.230 0.000 -10.259) 11.515 12.744 ( 7.844 0.000 -0.669) 7.873 12.910 ( -9.061 0.000 0.546) 9.077 13.285 ( 0.991 0.000 6.561) 6.635 13.306 ( -1.219 0.000 6.440) 6.554 13.351 ( 21.471 0.000 6.694) 22.490 13.703 ( -13.647 0.000 7.535) 15.589 13.851 ( 10.790 0.000 -3.809) 11.443 14.054 ( -10.034 0.000 -7.649) 12.617 14.332 ( 20.483 0.000 8.334) 22.113 14.719 ( -18.180 0.000 4.649) 18.765 15.547 ( 5.749 0.000 2.001) 6.088 15.651 ( -4.771 0.000 0.598) 4.808 15.884 ( 12.982 0.000 1.081) 13.027 16.134 ( -9.794 0.000 -0.566) 9.811 16.322 ( 2.572 0.000 -6.209) 6.721 16.462 ( -11.041 0.000 -12.774) 16.884 17.415 ( 11.265 0.000 0.614) 11.282 17.666 ( -15.442 0.000 1.765) 15.543 19.133 ( 2.888 0.000 -5.692) 6.382 19.177 ( -1.222 0.000 -5.946) 6.070 23.842 ( 2.111 0.000 0.518) 2.173 23.890 ( -2.898 0.000 0.356) 2.920 24.162 ( 3.342 0.000 -0.751) 3.425 24.219 ( -2.578 0.000 -0.901) 2.731 24.803 ( 1.315 0.000 1.228) 1.799 24.838 ( -2.146 0.000 1.148) 2.434 25.164 ( 6.278 0.000 0.554) 6.303 25.284 ( -5.886 0.000 -1.023) 5.974 26.578 ( 4.186 0.000 4.212) 5.938 26.661 ( -3.749 0.000 7.369) 8.268 27.815 ( 20.257 0.000 -11.485) 23.286 28.193 ( -18.496 0.000 -7.647) 20.015 29.140 ( 6.469 0.000 10.632) 12.446 29.269 ( -6.399 0.000 10.256) 12.088 30.603 ( 24.006 0.000 -4.037) 24.343 31.022 ( -19.424 0.000 -4.990) 20.055 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 0.000 15.793 35.824) 39.150 2.089 ( 0.000 33.483 29.983) 44.945 3.317 ( 0.000 15.749 54.774) 56.993 3.883 ( 0.000 4.971 27.533) 27.978 3.944 ( 0.000 14.968 5.073) 15.804 4.041 ( 0.000 19.264 8.298) 20.975 4.735 ( 0.000 4.221 -1.530) 4.490 4.749 ( 0.000 2.316 -6.884) 7.263 5.126 ( 0.000 -2.156 2.254) 3.119 5.215 ( 0.000 -0.828 3.161) 3.268 5.378 ( 0.000 -0.767 -1.157) 1.388 5.429 ( 0.000 -11.302 -1.121) 11.358 5.740 ( 0.000 0.905 -4.343) 4.436 6.036 ( 0.000 5.848 -6.675) 8.874 6.121 ( 0.000 6.063 -5.934) 8.483 6.249 ( 0.000 1.977 -0.971) 2.202 6.492 ( 0.000 4.892 5.504) 7.364 6.656 ( 0.000 -3.491 -6.349) 7.246 6.757 ( 0.000 0.139 1.612) 1.618 6.912 ( 0.000 5.319 -16.967) 17.781 7.107 ( 0.000 -12.361 0.982) 12.400 7.215 ( 0.000 13.941 -7.081) 15.636 7.572 ( 0.000 7.933 -0.921) 7.987 7.587 ( 0.000 -8.018 -3.297) 8.669 7.875 ( 0.000 -2.721 3.169) 4.177 7.918 ( 0.000 -6.287 4.776) 7.895 7.955 ( 0.000 -3.516 -8.875) 9.546 8.277 ( 0.000 6.046 3.482) 6.977 8.297 ( 0.000 13.690 -5.645) 14.809 8.394 ( 0.000 0.322 -6.175) 6.184 8.729 ( 0.000 1.504 -8.431) 8.564 8.900 ( 0.000 6.700 2.741) 7.239 9.101 ( 0.000 2.168 3.024) 3.721 9.136 ( 0.000 -2.316 -17.013) 17.170 9.414 ( 0.000 3.634 1.608) 3.974 9.495 ( 0.000 4.030 4.481) 6.027 9.774 ( 0.000 -2.308 -18.257) 18.403 9.978 ( 0.000 2.826 -2.297) 3.642 9.988 ( 0.000 -0.195 0.123) 0.231 10.242 ( 0.000 1.333 -2.007) 2.409 10.376 ( 0.000 -0.822 -1.774) 1.955 10.506 ( 0.000 1.064 -1.543) 1.874 10.864 ( 0.000 -14.296 -7.584) 16.183 11.370 ( 0.000 2.951 -1.006) 3.118 11.794 ( 0.000 -0.300 -15.949) 15.952 12.032 ( 0.000 -23.207 3.905) 23.533 12.054 ( 0.000 -9.456 -1.918) 9.648 12.384 ( 0.000 -10.535 -14.829) 18.190 12.744 ( 0.000 4.829 9.320) 10.497 12.927 ( 0.000 -3.952 2.938) 4.924 13.105 ( 0.000 -6.020 7.890) 9.924 13.302 ( 0.000 7.702 4.807) 9.079 13.439 ( 0.000 3.811 7.562) 8.468 13.469 ( 0.000 0.562 0.250) 0.615 13.702 ( 0.000 14.946 1.245) 14.998 14.057 ( 0.000 -2.377 6.100) 6.547 14.198 ( 0.000 -7.674 -10.674) 13.146 15.026 ( 0.000 4.605 -3.276) 5.651 15.440 ( 0.000 6.114 0.282) 6.120 15.727 ( 0.000 -1.684 -0.298) 1.710 15.851 ( 0.000 4.097 0.221) 4.103 16.225 ( 0.000 -1.759 1.676) 2.430 16.394 ( 0.000 -2.887 -10.736) 11.117 16.780 ( 0.000 -3.232 -7.942) 8.574 17.209 ( 0.000 8.197 -1.109) 8.272 18.253 ( 0.000 -3.371 -13.158) 13.582 18.632 ( 0.000 -30.167 11.208) 32.181 18.970 ( 0.000 -10.334 -2.518) 10.636 24.039 ( 0.000 6.864 0.434) 6.878 24.161 ( 0.000 8.363 -2.440) 8.711 24.268 ( 0.000 3.305 -0.675) 3.373 24.467 ( 0.000 42.846 -18.309) 46.594 24.829 ( 0.000 4.318 -1.747) 4.658 24.999 ( 0.000 -1.391 4.116) 4.345 25.017 ( 0.000 11.139 -0.895) 11.175 25.381 ( 0.000 -3.090 -2.044) 3.705 26.545 ( 0.000 -0.862 1.369) 1.618 26.600 ( 0.000 0.932 2.634) 2.794 27.304 ( 0.000 0.636 4.057) 4.106 28.529 ( 0.000 -1.532 -0.333) 1.568 29.137 ( 0.000 -0.768 9.774) 9.805 29.464 ( 0.000 -13.107 -1.603) 13.205 29.654 ( 0.000 0.228 15.757) 15.759 31.191 ( 0.000 -21.598 -2.330) 21.723 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 17.931 20.671 31.007) 41.355 2.346 ( 23.975 22.279 28.576) 43.448 3.415 ( 5.607 11.161 42.923) 44.704 3.591 ( -22.809 18.961 10.214) 31.370 3.871 ( 1.995 7.757 33.550) 34.493 4.302 ( 13.531 14.060 4.084) 19.936 4.685 ( -3.723 1.922 -3.073) 5.196 4.756 ( 0.309 5.422 -3.932) 6.705 5.032 ( -7.832 1.806 -0.631) 8.062 5.180 ( -3.634 2.885 -2.402) 5.225 5.421 ( -1.385 -2.428 -0.714) 2.885 5.500 ( 8.914 -8.852 6.883) 14.325 5.704 ( -3.094 4.135 -6.397) 8.222 6.026 ( -4.544 5.380 -3.773) 7.990 6.048 ( 2.365 -3.940 -6.864) 8.260 6.341 ( -2.366 -0.256 5.540) 6.030 6.406 ( 4.044 2.201 -1.754) 4.927 6.719 ( -1.423 -1.208 -3.900) 4.324 6.821 ( 5.153 6.477 -4.326) 9.339 6.984 ( 7.692 3.591 -10.729) 13.681 7.059 ( -1.483 -10.294 1.813) 10.557 7.359 ( 7.471 -3.292 -10.220) 13.081 7.459 ( -15.084 -0.874 -0.332) 15.113 7.594 ( 1.575 8.926 -0.107) 9.065 7.676 ( -4.456 0.906 -3.068) 5.485 7.816 ( -8.655 -3.381 -2.865) 9.723 8.050 ( 1.712 -1.115 -0.801) 2.195 8.185 ( -3.412 7.736 -1.745) 8.633 8.236 ( -6.876 5.837 -3.710) 9.753 8.398 ( -3.191 4.284 -7.528) 9.231 8.714 ( 0.888 -0.303 -5.943) 6.017 8.954 ( 1.433 6.548 0.750) 6.745 9.009 ( -0.799 2.871 -2.029) 3.606 9.239 ( 2.770 -1.120 -10.109) 10.541 9.390 ( -3.404 2.286 2.474) 4.789 9.445 ( -1.880 4.171 3.064) 5.507 9.862 ( 7.962 -3.232 -10.251) 13.376 9.960 ( 0.812 -0.933 0.120) 1.242 10.070 ( 1.722 6.426 -1.325) 6.783 10.313 ( 11.113 -4.302 0.199) 11.918 10.489 ( 8.527 0.049 -4.458) 9.622 10.573 ( 5.532 0.682 -2.432) 6.081 10.813 ( -5.059 -13.869 -6.086) 15.968 11.179 ( -16.335 0.956 3.348) 16.702 11.727 ( -5.588 -0.861 -14.414) 15.483 11.916 ( -6.293 -7.174 -5.778) 11.156 12.168 ( 6.625 -17.019 -6.373) 19.343 12.470 ( 3.687 -13.855 -11.137) 18.154 12.814 ( 4.768 8.079 3.026) 9.857 12.876 ( 3.566 -4.812 8.133) 10.100 13.162 ( 1.631 -6.640 6.410) 9.372 13.243 ( -6.376 9.549 2.379) 11.726 13.388 ( 1.026 3.884 5.027) 6.435 13.569 ( 7.835 -3.333 -0.409) 8.524 13.914 ( 9.967 7.199 2.281) 12.505 14.021 ( -1.840 -3.328 4.801) 6.125 14.182 ( 2.275 -1.011 -4.441) 5.091 15.049 ( -0.125 6.793 -4.065) 7.917 15.470 ( 1.748 4.471 0.655) 4.845 15.698 ( -2.998 -2.031 -0.108) 3.623 15.793 ( -2.458 2.216 2.371) 4.071 16.203 ( -1.360 -1.094 0.652) 1.863 16.354 ( -3.873 -1.939 -7.445) 8.613 16.664 ( -10.586 -2.378 -9.582) 14.475 17.287 ( 6.942 6.206 -0.839) 9.350 17.968 ( -18.986 -4.635 -0.580) 19.552 18.818 ( 10.246 -22.334 -1.778) 24.636 18.979 ( 0.739 -11.584 -2.882) 11.960 24.038 ( 0.074 8.410 0.291) 8.415 24.156 ( -1.140 7.882 -2.484) 8.342 24.254 ( -1.021 7.720 -1.202) 7.879 24.379 ( -6.376 31.979 -10.693) 34.317 24.830 ( 0.536 3.757 0.394) 3.815 24.954 ( -2.734 4.482 2.041) 5.633 25.079 ( 4.269 4.409 0.170) 6.140 25.350 ( -3.126 -2.626 -1.771) 4.450 26.527 ( 1.559 0.541 1.508) 2.236 26.700 ( 3.388 1.753 5.840) 6.976 27.433 ( 13.523 -1.822 -5.857) 14.849 28.441 ( -10.774 -3.602 -3.423) 11.865 29.065 ( -0.720 -1.226 10.860) 10.953 29.388 ( -4.257 -0.076 8.533) 9.537 29.989 ( 24.332 -10.337 3.439) 26.660 31.094 ( -9.763 -19.768 -1.705) 22.113 ======================= Grid point 97 (36/90) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 26.124 21.505 23.304) 41.086 2.862 ( 26.663 12.317 28.846) 41.167 3.111 ( -26.634 20.417 16.186) 37.259 3.298 ( -17.080 8.054 29.955) 35.411 4.124 ( 20.552 3.614 23.434) 31.378 4.432 ( -6.498 -0.846 1.808) 6.798 4.677 ( 8.416 12.202 3.368) 15.201 4.787 ( 3.464 10.955 0.732) 11.513 4.873 ( -7.751 7.276 -2.337) 10.885 4.988 ( -15.242 12.597 5.752) 20.593 5.454 ( 7.070 -3.260 -5.857) 9.743 5.596 ( -4.387 -0.540 -2.146) 4.914 5.759 ( 11.581 -6.142 1.722) 13.222 5.949 ( -5.654 3.929 -3.929) 7.927 6.100 ( 2.366 -6.442 -6.166) 9.226 6.194 ( -7.952 -5.527 7.424) 12.203 6.568 ( 6.426 3.493 -6.206) 9.592 6.627 ( -4.050 -0.216 1.987) 4.517 6.887 ( -0.704 -4.898 -0.038) 4.949 6.979 ( -4.941 2.052 -6.412) 8.351 7.156 ( 2.358 -1.449 1.476) 3.136 7.258 ( 8.927 0.726 -3.570) 9.641 7.371 ( -5.102 -3.630 -6.201) 8.812 7.525 ( -11.467 -7.564 -2.675) 13.995 7.688 ( 6.178 9.543 -3.550) 11.910 7.853 ( -4.317 8.401 -7.445) 12.027 7.968 ( 8.576 7.551 -7.290) 13.554 8.174 ( 1.272 0.138 -3.681) 3.897 8.189 ( -0.658 4.262 -4.027) 5.900 8.246 ( -12.392 3.421 -10.423) 16.550 8.774 ( 4.729 -0.478 -4.433) 6.499 8.875 ( -5.450 1.675 -5.445) 7.884 9.092 ( 5.121 8.172 4.303) 10.561 9.197 ( -5.646 3.851 0.972) 6.903 9.371 ( 2.258 1.462 -2.339) 3.565 9.419 ( -2.010 0.786 -0.147) 2.163 9.984 ( 1.634 -0.064 0.116) 1.639 9.995 ( 1.711 -0.755 -0.709) 2.000 10.175 ( 13.422 0.541 -2.353) 13.638 10.467 ( -8.680 -2.709 2.863) 9.533 10.588 ( 4.187 -9.203 -3.278) 10.629 10.636 ( 4.507 -3.323 -1.479) 5.791 10.779 ( 3.096 -2.728 -3.218) 5.233 10.894 ( -10.929 0.294 1.369) 11.018 11.665 ( 1.127 -3.062 -14.648) 15.007 11.771 ( -8.149 -5.256 -12.613) 15.910 12.321 ( 8.455 -12.387 -10.523) 18.321 12.452 ( -4.524 -11.911 -10.161) 16.297 12.899 ( 5.688 8.864 -1.975) 10.715 12.993 ( -0.488 -1.450 8.101) 8.244 13.134 ( 0.570 -1.318 2.178) 2.609 13.177 ( -1.664 -6.422 8.460) 10.751 13.500 ( 10.054 3.897 1.369) 10.870 13.666 ( -1.891 -4.364 -0.919) 4.844 13.884 ( -1.261 0.954 0.650) 1.709 13.963 ( -5.976 -5.909 -2.388) 8.736 14.467 ( 21.275 10.482 7.883) 24.993 14.872 ( -18.503 11.779 2.491) 22.075 15.512 ( 4.466 -2.959 3.070) 6.175 15.616 ( -5.346 -3.059 1.083) 6.253 15.907 ( 12.716 2.180 -0.711) 12.921 16.139 ( -8.215 0.555 -0.995) 8.293 16.308 ( 1.873 -1.316 -5.628) 6.076 16.438 ( -10.969 -2.180 -11.637) 16.140 17.446 ( 9.487 3.283 0.023) 10.039 17.658 ( -13.092 -0.260 1.299) 13.159 18.948 ( 3.829 -16.714 -5.196) 17.917 18.986 ( -0.437 -14.092 -4.187) 14.708 24.051 ( 1.539 11.283 -0.182) 11.389 24.102 ( -3.586 12.377 -1.510) 12.974 24.255 ( 1.206 10.739 -1.970) 10.985 24.293 ( -2.786 14.027 -3.491) 14.720 24.855 ( 1.977 4.564 1.310) 5.144 24.901 ( -2.689 5.237 1.597) 6.100 25.170 ( 5.135 1.129 -0.393) 5.272 25.269 ( -4.952 -1.247 -1.115) 5.227 26.594 ( 4.735 1.781 3.591) 6.204 26.684 ( -3.858 2.496 6.750) 8.166 27.768 ( 19.511 -4.379 -11.359) 22.997 28.141 ( -18.641 -5.028 -7.768) 20.811 29.150 ( 7.320 1.044 10.766) 13.061 29.288 ( -6.405 1.832 10.227) 12.205 30.449 ( 22.491 -13.624 -0.610) 26.303 30.832 ( -17.136 -16.386 -1.120) 23.736 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 0.000 25.046 23.883) 34.608 2.766 ( 0.000 28.903 29.930) 41.607 3.726 ( 0.000 17.993 22.753) 29.007 4.182 ( 0.000 21.823 26.436) 34.279 4.351 ( 0.000 21.229 7.198) 22.416 4.438 ( 0.000 15.344 7.042) 16.883 4.751 ( 0.000 -0.857 4.241) 4.327 4.777 ( 0.000 1.627 0.763) 1.797 4.948 ( 0.000 -19.990 12.037) 23.334 5.147 ( 0.000 7.314 0.718) 7.349 5.402 ( 0.000 3.951 -4.439) 5.943 5.454 ( 0.000 7.343 9.033) 11.641 5.654 ( 0.000 -11.326 10.725) 15.598 6.136 ( 0.000 0.232 -9.022) 9.025 6.247 ( 0.000 4.412 -11.387) 12.212 6.297 ( 0.000 7.251 -4.672) 8.626 6.649 ( 0.000 3.912 -8.059) 8.958 6.685 ( 0.000 6.056 -9.766) 11.492 6.784 ( 0.000 2.855 -0.671) 2.933 6.923 ( 0.000 -0.370 -1.751) 1.790 6.987 ( 0.000 -5.136 -9.305) 10.628 7.181 ( 0.000 -6.970 -7.465) 10.213 7.604 ( 0.000 6.387 -2.009) 6.695 7.675 ( 0.000 1.146 -3.436) 3.622 7.839 ( 0.000 -2.944 -3.990) 4.958 7.880 ( 0.000 2.845 -1.056) 3.035 7.928 ( 0.000 3.925 2.893) 4.876 8.268 ( 0.000 -3.099 -7.898) 8.484 8.531 ( 0.000 7.449 4.094) 8.500 8.573 ( 0.000 11.696 -6.342) 13.305 8.808 ( 0.000 6.996 -11.993) 13.885 9.002 ( 0.000 2.275 -6.982) 7.343 9.080 ( 0.000 -2.502 -15.665) 15.864 9.238 ( 0.000 12.123 5.729) 13.409 9.487 ( 0.000 3.944 6.291) 7.425 9.570 ( 0.000 1.779 4.246) 4.603 9.704 ( 0.000 -4.162 -14.804) 15.378 9.908 ( 0.000 -8.111 -5.466) 9.781 9.966 ( 0.000 -2.486 -1.244) 2.780 10.318 ( 0.000 -6.328 -1.705) 6.554 10.383 ( 0.000 8.090 -4.408) 9.213 10.548 ( 0.000 3.969 -2.866) 4.896 10.573 ( 0.000 -10.745 -8.970) 13.997 11.340 ( 0.000 -5.380 -2.852) 6.089 11.593 ( 0.000 -17.182 7.187) 18.625 11.796 ( 0.000 -12.081 -1.554) 12.180 11.831 ( 0.000 1.381 -13.002) 13.075 12.157 ( 0.000 -10.431 -10.610) 14.879 12.741 ( 0.000 -0.427 14.591) 14.597 12.974 ( 0.000 -5.412 4.980) 7.355 12.989 ( 0.000 5.204 -1.992) 5.572 13.447 ( 0.000 2.283 4.826) 5.339 13.450 ( 0.000 -1.327 -0.446) 1.400 13.537 ( 0.000 6.914 3.721) 7.851 13.901 ( 0.000 3.621 2.045) 4.158 13.909 ( 0.000 -12.836 -0.093) 12.837 14.085 ( 0.000 0.187 6.349) 6.352 14.988 ( 0.000 -6.995 2.857) 7.556 15.651 ( 0.000 10.646 -7.959) 13.292 15.698 ( 0.000 -0.618 0.239) 0.662 15.949 ( 0.000 2.967 -0.518) 3.012 16.204 ( 0.000 1.988 2.476) 3.176 16.306 ( 0.000 -5.384 -10.320) 11.640 16.693 ( 0.000 -4.695 -6.829) 8.288 17.434 ( 0.000 12.246 -2.674) 12.535 18.121 ( 0.000 -16.074 8.634) 18.246 18.150 ( 0.000 -6.269 -12.034) 13.569 18.707 ( 0.000 -13.702 -3.179) 14.066 24.217 ( 0.000 10.073 1.135) 10.137 24.229 ( 0.000 2.861 -0.519) 2.908 24.515 ( 0.000 13.762 -1.413) 13.835 24.828 ( 0.000 -2.115 1.439) 2.558 24.915 ( 0.000 1.695 1.607) 2.336 25.250 ( 0.000 1.144 -2.264) 2.537 25.327 ( 0.000 6.997 -2.259) 7.353 25.389 ( 0.000 29.528 -30.492) 42.446 26.532 ( 0.000 0.109 0.253) 0.275 26.636 ( 0.000 2.353 -0.823) 2.493 27.344 ( 0.000 3.768 4.776) 6.084 28.446 ( 0.000 -7.616 -2.889) 8.145 29.107 ( 0.000 -2.128 10.366) 10.582 29.157 ( 0.000 -13.233 9.288) 16.167 29.679 ( 0.000 2.598 14.012) 14.250 30.706 ( 0.000 -22.494 5.185) 23.084 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 18.700 23.339 22.698) 37.545 2.906 ( 13.745 26.480 28.989) 41.599 3.722 ( -2.277 16.125 21.906) 27.296 4.041 ( -21.454 20.795 9.134) 31.243 4.194 ( 1.764 18.540 22.889) 29.508 4.572 ( 5.540 10.079 5.315) 12.669 4.691 ( -2.768 2.338 3.802) 5.251 4.914 ( 9.565 3.521 2.813) 10.574 5.042 ( 1.993 -7.399 5.766) 9.589 5.104 ( 2.512 -1.927 5.161) 6.055 5.333 ( -0.389 2.522 5.201) 5.793 5.564 ( 3.443 9.881 -0.132) 10.464 5.732 ( 5.879 -7.623 7.377) 12.128 5.908 ( -13.511 1.377 -8.131) 15.829 6.180 ( -6.880 2.215 -4.464) 8.495 6.410 ( -7.073 0.712 -7.695) 10.476 6.462 ( 8.069 7.711 -12.471) 16.736 6.701 ( -5.705 -1.290 -3.638) 6.888 6.852 ( -5.662 -2.641 1.144) 6.351 6.995 ( 1.718 0.630 -4.581) 4.933 7.037 ( 15.719 2.334 -5.201) 16.721 7.183 ( -0.133 -5.431 -9.440) 10.892 7.488 ( -10.497 1.833 -4.016) 11.388 7.642 ( -6.777 -1.028 -1.693) 7.061 7.799 ( -1.501 9.772 0.839) 9.922 7.898 ( 5.105 7.545 -5.821) 10.811 8.005 ( 6.649 -1.695 -0.589) 6.887 8.233 ( -4.510 -1.407 -7.432) 8.807 8.460 ( -4.842 11.578 0.397) 12.556 8.562 ( -4.913 9.069 -5.431) 11.656 8.753 ( -1.685 4.973 -9.480) 10.837 9.019 ( -1.636 -0.740 -7.899) 8.100 9.102 ( 4.994 4.883 -7.259) 10.074 9.270 ( 1.513 5.839 -2.388) 6.487 9.443 ( -2.778 3.232 3.359) 5.426 9.532 ( -3.019 2.870 5.324) 6.760 9.780 ( 6.982 -4.454 -10.387) 13.285 9.924 ( 1.792 -2.418 -0.402) 3.037 10.094 ( 9.277 -7.697 -1.229) 12.116 10.258 ( -1.366 1.094 -3.986) 4.353 10.494 ( 6.053 -4.473 -2.105) 7.815 10.517 ( -2.989 -8.595 -6.338) 11.090 10.608 ( 3.552 2.830 -3.488) 5.727 11.153 ( -13.619 -2.279 5.246) 14.771 11.660 ( -4.315 -9.339 -9.816) 14.219 11.727 ( -2.917 -10.146 -8.162) 13.344 11.867 ( 7.757 -6.938 -6.975) 12.529 12.197 ( 2.447 -11.760 -9.947) 15.596 12.769 ( 3.420 -1.490 13.416) 13.925 12.972 ( 0.496 -0.558 3.601) 3.678 13.041 ( 3.682 0.933 0.608) 3.846 13.403 ( -7.044 1.753 4.637) 8.614 13.461 ( 1.047 2.543 -0.349) 2.772 13.526 ( 3.144 1.705 0.131) 3.579 13.855 ( -3.134 -8.692 -4.454) 10.257 13.907 ( -1.953 -7.680 7.466) 10.887 14.284 ( 18.190 7.838 8.089) 21.395 15.054 ( 5.957 -5.301 2.039) 8.231 15.642 ( -5.002 4.027 -3.864) 7.495 15.670 ( -4.474 4.049 -1.986) 6.352 15.844 ( -3.657 2.282 0.873) 4.398 16.202 ( -0.180 2.143 1.120) 2.425 16.289 ( -1.826 -4.276 -7.707) 9.001 16.594 ( -9.607 -4.039 -7.641) 12.923 17.473 ( 3.729 10.887 -2.431) 11.761 17.867 ( -12.051 -3.426 -0.082) 12.529 18.399 ( 11.607 -16.204 -4.386) 20.409 18.697 ( -1.095 -14.353 -3.536) 14.822 24.219 ( 0.208 9.279 0.903) 9.325 24.229 ( -0.064 3.411 -0.395) 3.434 24.521 ( 0.884 13.558 -1.623) 13.683 24.805 ( -3.600 -0.154 -0.911) 3.716 24.926 ( 1.664 4.574 1.182) 5.009 25.201 ( -7.666 14.820 -9.572) 19.236 25.272 ( -4.706 12.091 -9.621) 16.152 25.301 ( -2.456 5.022 -1.851) 5.889 26.558 ( 4.049 2.805 -0.571) 4.959 26.767 ( 6.882 4.609 1.710) 8.458 27.392 ( 6.842 -1.449 -3.565) 7.850 28.303 ( -14.000 -10.026 -4.220) 17.729 29.041 ( 3.867 -0.558 11.792) 12.422 29.374 ( 6.355 -2.170 7.735) 10.243 29.768 ( 11.983 -7.908 11.553) 18.428 30.635 ( -7.435 -21.965 4.974) 23.717 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 25.975 21.335 20.713) 39.483 3.233 ( 18.015 20.890 28.493) 39.658 3.562 ( -17.866 19.552 21.605) 34.179 3.593 ( -20.541 19.764 16.523) 32.948 4.300 ( 9.137 10.628 7.817) 16.048 4.501 ( -10.036 8.827 0.101) 13.366 4.780 ( 8.550 -1.073 9.096) 12.530 4.930 ( -7.183 -2.943 5.128) 9.303 5.110 ( 9.839 7.122 2.838) 12.473 5.228 ( 0.866 7.807 6.361) 10.107 5.443 ( 8.354 0.579 0.104) 8.375 5.544 ( 1.233 -4.024 -0.903) 4.304 5.691 ( -8.303 9.164 -4.922) 13.310 5.773 ( -4.866 -7.925 4.621) 10.384 6.171 ( 3.734 4.477 -4.854) 7.586 6.231 ( -5.546 1.379 -8.107) 9.919 6.553 ( -1.488 -4.808 -2.079) 5.445 6.598 ( -5.353 2.410 1.169) 5.986 6.862 ( 10.123 3.434 -2.572) 10.995 7.070 ( 5.809 -0.883 -4.155) 7.196 7.107 ( -9.863 0.609 -7.165) 12.206 7.192 ( -2.427 -3.695 -0.501) 4.449 7.338 ( 1.215 1.585 -6.070) 6.390 7.449 ( -9.437 1.790 -1.603) 9.739 7.873 ( 7.548 6.702 -5.684) 11.584 8.033 ( -4.380 6.637 -8.377) 11.550 8.082 ( 8.066 3.206 -2.660) 9.079 8.170 ( 2.106 0.074 -2.594) 3.342 8.366 ( -4.215 12.077 -1.707) 12.905 8.407 ( -8.923 10.631 -8.952) 16.516 8.801 ( 5.578 2.908 -7.533) 9.814 8.927 ( -6.634 2.277 -7.905) 10.568 9.224 ( 5.237 4.535 -4.238) 8.121 9.274 ( -0.757 4.875 -4.216) 6.490 9.416 ( 0.646 2.334 3.722) 4.440 9.470 ( -3.755 3.221 6.572) 8.225 9.922 ( 5.861 -5.575 -4.638) 9.324 9.958 ( 1.165 -3.185 -0.885) 3.505 10.224 ( 5.792 3.470 -1.242) 6.865 10.345 ( 9.517 -11.668 -3.567) 15.474 10.386 ( -9.052 -6.555 -4.145) 11.920 10.521 ( -6.467 -5.823 0.057) 8.703 10.729 ( 9.282 -2.458 2.238) 9.859 10.917 ( -10.343 1.058 6.055) 12.032 11.574 ( -0.450 -5.572 -15.957) 16.908 11.640 ( -5.588 -5.458 -16.489) 18.245 12.066 ( 9.860 -11.602 -9.298) 17.840 12.196 ( -3.244 -12.071 -10.491) 16.319 12.867 ( 5.885 -4.333 10.302) 12.631 12.957 ( -2.802 -4.327 7.245) 8.892 13.129 ( 5.608 4.633 0.719) 7.309 13.254 ( -7.400 4.829 2.184) 9.102 13.508 ( 3.484 -1.361 -3.021) 4.808 13.563 ( -0.813 -4.360 -3.200) 5.469 13.813 ( -0.044 -6.084 1.363) 6.235 13.853 ( -3.182 -6.640 6.698) 9.954 14.696 ( 23.367 10.291 7.554) 26.627 15.084 ( -10.645 6.424 1.342) 12.505 15.447 ( -3.665 -2.754 4.621) 6.509 15.538 ( -7.498 -4.015 2.111) 8.764 15.972 ( 11.721 3.773 -4.119) 12.984 16.165 ( -5.736 2.028 -1.465) 6.258 16.269 ( 1.424 -2.295 -4.627) 5.358 16.379 ( -10.441 -3.158 -8.867) 14.057 17.562 ( 5.351 7.742 -1.937) 9.608 17.682 ( -7.490 3.206 -1.095) 8.221 18.572 ( 6.503 -17.239 -4.919) 19.070 18.660 ( -2.994 -15.921 -4.350) 16.774 24.223 ( 0.235 7.155 0.371) 7.168 24.227 ( -0.129 4.989 -0.075) 4.991 24.565 ( 4.063 13.352 -2.528) 14.184 24.682 ( -7.679 10.019 -3.907) 13.214 24.982 ( 3.706 7.479 0.599) 8.368 25.062 ( -5.072 12.241 -2.466) 13.477 25.237 ( -0.437 2.968 -1.995) 3.603 25.253 ( -2.043 2.528 -1.499) 3.579 26.669 ( 6.734 5.847 1.305) 9.013 26.784 ( -4.126 7.512 4.380) 9.625 27.634 ( 16.851 -8.287 -10.676) 21.601 27.980 ( -18.297 -10.275 -7.600) 22.318 29.190 ( 9.454 2.990 11.031) 14.833 29.350 ( -6.252 4.195 10.117) 12.611 30.098 ( 18.912 -18.042 6.044) 26.828 30.424 ( -14.323 -20.604 4.729) 25.535 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 0.000 27.008 13.283) 30.097 3.326 ( 0.000 24.833 27.844) 37.309 3.923 ( 0.000 -4.720 4.559) 6.563 4.356 ( 0.000 8.073 18.852) 20.508 4.407 ( 0.000 -20.650 14.530) 25.250 4.708 ( 0.000 1.357 14.708) 14.770 4.810 ( 0.000 2.268 2.987) 3.750 4.955 ( 0.000 27.277 10.341) 29.172 5.034 ( 0.000 22.210 3.340) 22.460 5.211 ( 0.000 -20.072 13.305) 24.082 5.354 ( 0.000 9.907 4.398) 10.840 5.531 ( 0.000 -1.494 -1.613) 2.199 5.705 ( 0.000 17.522 12.245) 21.377 6.031 ( 0.000 -6.714 -5.370) 8.597 6.311 ( 0.000 2.045 -10.726) 10.919 6.402 ( 0.000 -2.858 -6.130) 6.764 6.550 ( 0.000 -22.383 -4.368) 22.805 6.613 ( 0.000 -5.008 -5.472) 7.417 6.875 ( 0.000 7.684 -3.979) 8.653 6.917 ( 0.000 9.643 -4.318) 10.566 7.080 ( 0.000 7.472 -7.455) 10.555 7.186 ( 0.000 -1.084 -11.736) 11.786 7.700 ( 0.000 3.773 -4.887) 6.174 7.746 ( 0.000 8.357 -4.849) 9.662 7.833 ( 0.000 4.031 -6.625) 7.756 7.948 ( 0.000 1.074 -5.641) 5.742 8.004 ( 0.000 1.016 1.414) 1.741 8.174 ( 0.000 -6.521 -8.923) 11.052 8.660 ( 0.000 5.744 -1.122) 5.853 8.747 ( 0.000 3.734 -7.678) 8.538 8.961 ( 0.000 4.792 -14.833) 15.588 9.067 ( 0.000 1.825 -12.389) 12.523 9.100 ( 0.000 9.610 -3.204) 10.130 9.472 ( 0.000 6.930 2.580) 7.394 9.511 ( 0.000 -6.813 -1.485) 6.973 9.621 ( 0.000 -4.268 -6.629) 7.884 9.688 ( 0.000 16.353 9.935) 19.134 9.711 ( 0.000 -9.052 -9.015) 12.775 9.843 ( 0.000 -10.151 -2.251) 10.398 10.141 ( 0.000 -6.571 -3.290) 7.349 10.452 ( 0.000 -0.170 -1.255) 1.266 10.456 ( 0.000 -2.440 -4.881) 5.457 10.699 ( 0.000 8.692 -4.302) 9.698 11.178 ( 0.000 -10.072 0.075) 10.072 11.342 ( 0.000 -6.378 -1.844) 6.640 11.499 ( 0.000 -13.310 -9.841) 16.553 11.885 ( 0.000 1.233 -8.060) 8.154 11.970 ( 0.000 -6.678 -7.563) 10.089 12.809 ( 0.000 6.986 11.600) 13.542 12.921 ( 0.000 0.906 5.949) 6.017 13.082 ( 0.000 3.590 5.626) 6.674 13.392 ( 0.000 -7.569 6.887) 10.234 13.421 ( 0.000 -1.193 -2.370) 2.653 13.610 ( 0.000 -11.216 -1.370) 11.300 13.667 ( 0.000 3.202 4.325) 5.382 13.884 ( 0.000 -4.213 2.824) 5.072 14.215 ( 0.000 11.469 9.645) 14.985 14.783 ( 0.000 -12.047 5.487) 13.237 15.712 ( 0.000 1.933 1.661) 2.549 15.819 ( 0.000 3.816 -4.689) 6.045 15.930 ( 0.000 -0.933 -0.208) 0.956 16.175 ( 0.000 -6.896 -9.759) 11.949 16.340 ( 0.000 8.340 -1.753) 8.522 16.594 ( 0.000 -4.678 -5.144) 6.953 17.675 ( 0.000 9.531 -3.807) 10.264 17.978 ( 0.000 2.240 -1.328) 2.604 18.000 ( 0.000 -7.739 -10.375) 12.943 18.420 ( 0.000 -13.384 -4.244) 14.041 24.332 ( 0.000 6.750 0.115) 6.751 24.443 ( 0.000 10.714 0.945) 10.756 24.700 ( 0.000 -7.679 2.223) 7.994 24.720 ( 0.000 4.278 0.645) 4.326 24.987 ( 0.000 3.566 1.858) 4.021 25.138 ( 0.000 -5.931 -0.881) 5.996 25.585 ( 0.000 11.926 -6.365) 13.519 25.780 ( 0.000 7.765 -23.001) 24.276 26.572 ( 0.000 3.705 -4.372) 5.731 26.678 ( 0.000 0.885 -5.408) 5.480 27.494 ( 0.000 11.016 4.717) 11.983 28.178 ( 0.000 -17.045 -1.574) 17.117 28.990 ( 0.000 -2.848 13.150) 13.455 29.051 ( 0.000 -3.069 11.131) 11.546 29.776 ( 0.000 6.876 11.858) 13.707 30.283 ( 0.000 -17.536 7.898) 19.233 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 15.248 25.171 13.364) 32.321 3.438 ( 11.016 24.495 27.500) 38.439 3.982 ( 5.454 0.115 6.313) 8.344 4.283 ( -7.823 1.499 16.745) 18.543 4.337 ( -9.938 5.083 12.457) 16.726 4.623 ( 1.694 -12.269 14.213) 18.852 4.863 ( -7.530 -7.596 9.129) 14.062 4.951 ( 0.943 18.231 1.994) 18.364 5.010 ( -0.037 17.471 5.942) 18.454 5.124 ( -1.444 -4.882 13.040) 13.999 5.445 ( 5.167 6.107 2.710) 8.446 5.581 ( 4.437 -3.505 1.340) 5.811 5.791 ( -1.919 10.320 1.461) 10.598 5.978 ( 4.990 3.559 -1.671) 6.353 6.183 ( -10.804 -0.391 -8.623) 13.829 6.355 ( -7.076 -4.709 -5.027) 9.875 6.495 ( -8.202 -13.483 -1.700) 15.873 6.614 ( 8.731 0.436 -10.478) 13.646 6.825 ( -0.173 2.387 -2.257) 3.290 7.037 ( -0.227 3.459 -5.201) 6.250 7.116 ( 8.171 3.469 -4.899) 10.139 7.177 ( -2.456 0.377 -11.403) 11.671 7.609 ( -5.950 10.455 -8.585) 14.779 7.694 ( -5.091 6.311 -0.893) 8.158 7.946 ( 2.129 2.209 -3.330) 4.528 7.981 ( 0.887 1.452 0.515) 1.778 8.036 ( 10.894 3.000 -6.187) 12.883 8.170 ( -1.708 -4.267 -7.516) 8.809 8.653 ( -0.998 7.196 -3.226) 7.949 8.714 ( -3.140 4.875 -7.121) 9.183 8.916 ( -5.435 7.849 -8.919) 13.065 8.998 ( -1.746 0.429 -10.316) 10.472 9.186 ( 5.890 4.707 -7.953) 10.958 9.372 ( -3.798 -0.859 0.674) 3.952 9.521 ( -1.917 1.989 0.757) 2.864 9.592 ( -0.951 1.792 -0.370) 2.062 9.743 ( 4.044 5.505 -4.025) 7.928 9.840 ( 1.295 -6.102 -0.758) 6.284 9.880 ( 11.229 -9.278 -2.426) 14.767 10.180 ( 2.991 -6.846 -3.664) 8.321 10.379 ( -5.289 0.186 -3.502) 6.346 10.485 ( 2.975 -2.290 -0.790) 3.837 10.676 ( -4.147 4.022 -0.629) 5.811 11.075 ( -9.145 -7.692 3.806) 12.541 11.411 ( 3.771 -7.923 -11.309) 14.314 11.531 ( 5.292 -8.138 -10.500) 14.299 11.832 ( -3.965 0.117 -10.478) 11.204 11.983 ( 0.259 -8.443 -8.010) 11.641 12.825 ( 1.857 6.739 11.623) 13.563 12.930 ( 0.526 1.146 6.474) 6.596 13.117 ( 3.117 2.377 5.303) 6.594 13.351 ( -3.827 -6.665 6.894) 10.325 13.438 ( 1.517 -1.606 -2.780) 3.550 13.598 ( -1.786 -4.485 -2.276) 5.337 13.648 ( -1.272 -2.870 3.386) 4.617 13.775 ( -6.290 -4.521 3.941) 8.691 14.457 ( 19.863 9.095 9.078) 23.658 14.890 ( 10.425 -9.625 4.965) 15.032 15.647 ( -6.716 0.836 1.600) 6.954 15.741 ( -12.291 -1.374 1.680) 12.481 15.920 ( 3.560 5.566 -5.937) 8.882 16.178 ( 0.568 -5.872 -7.516) 9.555 16.305 ( -3.238 6.165 -1.413) 7.106 16.508 ( -8.361 -4.009 -5.420) 10.741 17.700 ( 2.393 9.605 -3.954) 10.659 17.883 ( -4.444 5.566 -4.770) 8.572 18.122 ( 6.950 -10.578 -6.601) 14.275 18.400 ( -2.074 -13.725 -4.485) 14.588 24.337 ( 0.605 6.896 0.166) 6.925 24.428 ( -1.473 10.103 0.840) 10.245 24.678 ( -1.159 -3.578 0.796) 3.844 24.721 ( -0.688 -1.486 1.479) 2.206 25.032 ( 4.514 4.763 0.880) 6.621 25.162 ( 2.545 -3.618 -0.575) 4.461 25.516 ( -6.422 9.607 -5.083) 12.624 25.608 ( -14.011 9.246 -15.089) 22.572 26.658 ( 8.359 6.597 -4.919) 11.730 26.853 ( 13.725 1.668 -5.998) 15.071 27.426 ( -5.334 6.399 0.858) 8.375 28.022 ( -13.950 -16.057 -2.526) 21.420 29.058 ( 9.258 2.379 12.046) 15.378 29.271 ( 16.343 -6.689 10.144) 20.366 29.735 ( -3.781 4.348 12.013) 13.323 30.216 ( -6.997 -17.508 7.913) 20.447 ======================= Grid point 107 (42/90) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.501 ( 22.272 21.103 14.905) 34.111 3.697 ( 13.136 23.456 26.750) 37.925 3.956 ( -14.826 15.605 15.517) 26.535 4.018 ( -13.879 22.846 14.882) 30.595 4.295 ( 10.494 -12.011 6.799) 17.338 4.586 ( -16.800 -9.498 10.620) 22.028 4.775 ( 11.660 -15.912 10.435) 22.317 4.968 ( -3.062 14.342 0.863) 14.691 5.022 ( 0.392 11.741 2.486) 12.008 5.055 ( -5.727 -18.304 8.677) 21.050 5.552 ( 5.316 3.288 0.667) 6.286 5.595 ( -0.682 -0.021 0.072) 0.686 5.808 ( 4.886 6.873 -2.058) 8.680 5.907 ( -8.258 5.967 -6.503) 12.087 6.149 ( -3.104 -4.406 -6.012) 8.074 6.182 ( -6.025 -5.859 -4.519) 9.542 6.501 ( 11.986 4.983 4.290) 13.671 6.725 ( -5.645 7.620 -7.846) 12.308 6.881 ( 9.265 -4.681 -7.745) 12.951 7.046 ( -5.440 -4.453 -10.841) 12.921 7.099 ( 5.918 7.040 1.636) 9.341 7.271 ( 2.360 5.324 -3.723) 6.912 7.424 ( -8.075 5.368 0.605) 9.715 7.547 ( -9.872 5.951 -2.832) 11.870 7.959 ( 4.290 3.061 -5.672) 7.743 8.081 ( -6.650 0.717 -6.371) 9.237 8.139 ( 8.655 0.222 -4.772) 9.885 8.199 ( 3.812 0.913 -2.583) 4.695 8.615 ( -1.734 10.405 -8.030) 13.257 8.641 ( -3.877 11.439 -4.222) 12.795 8.869 ( 1.586 2.385 -9.441) 9.866 8.939 ( -4.408 -0.892 -10.818) 11.716 9.330 ( 7.900 5.216 -2.920) 9.906 9.376 ( 2.884 1.256 2.856) 4.248 9.463 ( -2.840 2.148 0.633) 3.617 9.529 ( -6.119 2.058 4.157) 7.679 9.823 ( 4.149 -1.498 -7.056) 8.321 9.866 ( 0.379 -2.345 -3.535) 4.259 10.098 ( 9.599 -11.155 -3.905) 15.226 10.204 ( -1.780 -8.403 -4.682) 9.783 10.318 ( 2.284 4.514 -0.499) 5.083 10.488 ( -10.582 2.495 1.324) 10.952 10.633 ( 8.752 -7.030 3.899) 11.884 10.856 ( -12.712 -8.360 5.378) 16.137 11.494 ( 5.585 0.239 -17.511) 18.382 11.593 ( -2.697 0.794 -14.474) 14.745 11.833 ( 5.786 -10.215 -12.202) 16.933 11.949 ( -4.264 -11.438 -10.478) 16.087 12.876 ( 3.073 5.419 10.357) 12.086 12.923 ( -1.454 3.012 8.180) 8.837 13.185 ( 3.855 -0.910 5.851) 7.065 13.266 ( -4.542 -4.314 6.770) 9.223 13.475 ( 2.411 -1.004 -3.962) 4.745 13.535 ( -3.750 1.311 -3.995) 5.634 13.649 ( 1.302 -8.950 3.250) 9.610 13.691 ( -2.996 -6.951 4.455) 8.783 14.885 ( 23.374 7.862 7.369) 25.738 15.124 ( 10.053 -2.003 3.152) 10.724 15.407 ( -17.776 -0.880 5.452) 18.614 15.461 ( -11.970 -3.057 2.541) 12.612 16.054 ( 9.257 3.897 -5.608) 11.503 16.202 ( 0.104 -1.522 -3.461) 3.782 16.229 ( -3.208 1.143 -3.342) 4.772 16.319 ( -9.345 -2.408 -5.865) 11.293 17.754 ( 2.975 9.894 -4.222) 11.161 17.812 ( -3.173 9.340 -4.474) 10.832 18.246 ( 5.820 -13.876 -6.007) 16.202 18.341 ( -4.047 -14.311 -5.155) 15.741 24.357 ( 1.478 7.476 0.325) 7.627 24.392 ( -2.066 8.674 0.582) 8.936 24.672 ( 0.600 -3.506 0.257) 3.567 24.696 ( -1.613 -3.544 0.728) 3.961 25.152 ( 7.831 7.243 -1.347) 10.752 25.238 ( 5.021 1.736 -0.913) 5.390 25.349 ( -11.377 8.692 -6.074) 15.553 25.376 ( -7.616 5.558 -2.422) 9.735 26.850 ( 10.535 11.140 -2.937) 15.611 27.003 ( -2.277 12.577 -0.370) 12.787 27.432 ( 9.793 -10.248 -8.520) 16.539 27.716 ( -16.802 -14.522 -6.174) 23.050 29.282 ( 12.335 5.919 11.231) 17.701 29.464 ( -2.995 6.108 9.760) 11.897 29.753 ( 11.202 -13.464 10.529) 20.436 30.020 ( -13.120 -17.222 8.300) 23.186 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( 0.000 -19.786 7.204) 21.057 3.490 ( 0.000 19.786 7.204) 21.057 3.931 ( 0.000 -21.160 20.177) 29.239 3.931 ( 0.000 21.160 20.177) 29.239 4.676 ( 0.000 -13.268 22.453) 26.080 4.676 ( 0.000 13.268 22.453) 26.080 4.829 ( 0.000 -5.695 6.837) 8.899 4.829 ( 0.000 5.695 6.837) 8.899 5.337 ( 0.000 -6.065 1.269) 6.197 5.337 ( 0.000 6.065 1.269) 6.197 5.471 ( 0.000 -0.106 1.942) 1.945 5.471 ( 0.000 0.106 1.942) 1.945 6.001 ( 0.000 -3.847 -0.704) 3.911 6.001 ( 0.000 3.847 -0.704) 3.911 6.218 ( 0.000 -10.007 3.379) 10.562 6.218 ( 0.000 10.007 3.379) 10.562 6.437 ( 0.000 -7.351 -7.366) 10.407 6.437 ( 0.000 7.351 -7.366) 10.407 7.070 ( 0.000 -8.416 -10.124) 13.166 7.070 ( 0.000 8.416 -10.124) 13.166 7.096 ( 0.000 -5.064 -5.602) 7.552 7.096 ( 0.000 5.064 -5.602) 7.552 7.847 ( 0.000 -5.994 -9.634) 11.346 7.847 ( 0.000 5.994 -9.634) 11.346 7.941 ( 0.000 -2.910 -2.147) 3.616 7.941 ( 0.000 2.910 -2.147) 3.616 8.000 ( 0.000 -7.796 -6.338) 10.048 8.000 ( 0.000 7.796 -6.338) 10.048 8.751 ( 0.000 -2.243 -7.038) 7.387 8.751 ( 0.000 2.243 -7.038) 7.387 9.064 ( 0.000 -4.367 -13.682) 14.362 9.064 ( 0.000 4.367 -13.682) 14.362 9.333 ( 0.000 -10.583 1.694) 10.718 9.333 ( 0.000 10.583 1.694) 10.718 9.563 ( 0.000 -2.298 -7.609) 7.948 9.563 ( 0.000 2.298 -7.609) 7.948 9.621 ( 0.000 -8.742 -3.435) 9.392 9.621 ( 0.000 8.742 -3.435) 9.392 10.007 ( 0.000 -10.028 5.022) 11.216 10.007 ( 0.000 10.028 5.022) 11.216 10.434 ( 0.000 -0.440 -3.094) 3.125 10.434 ( 0.000 0.440 -3.094) 3.125 10.917 ( 0.000 -12.891 0.787) 12.915 10.917 ( 0.000 12.891 0.787) 12.915 11.317 ( 0.000 -3.578 -11.500) 12.044 11.317 ( 0.000 3.578 -11.500) 12.044 11.893 ( 0.000 -0.936 -6.821) 6.885 11.893 ( 0.000 0.936 -6.821) 6.885 12.952 ( 0.000 -2.016 7.521) 7.787 12.952 ( 0.000 2.016 7.521) 7.787 13.176 ( 0.000 -8.575 12.695) 15.320 13.176 ( 0.000 8.575 12.695) 15.320 13.439 ( 0.000 -4.037 -4.327) 5.918 13.439 ( 0.000 4.037 -4.327) 5.918 13.771 ( 0.000 -5.677 3.507) 6.673 13.771 ( 0.000 5.677 3.507) 6.673 14.500 ( 0.000 -14.354 7.440) 16.168 14.500 ( 0.000 14.354 7.440) 16.168 15.776 ( 0.000 -3.917 3.140) 5.021 15.776 ( 0.000 3.917 3.140) 5.021 16.026 ( 0.000 -6.959 -8.693) 11.135 16.026 ( 0.000 6.959 -8.693) 11.135 16.489 ( 0.000 -5.731 -3.427) 6.678 16.489 ( 0.000 5.731 -3.427) 6.678 17.839 ( 0.000 -7.343 -7.419) 10.439 17.839 ( 0.000 7.343 -7.419) 10.439 18.152 ( 0.000 -11.823 -4.688) 12.719 18.152 ( 0.000 11.823 -4.688) 12.719 24.494 ( 0.000 -7.770 0.229) 7.774 24.494 ( 0.000 7.770 0.229) 7.774 24.678 ( 0.000 -6.736 2.403) 7.152 24.678 ( 0.000 6.736 2.403) 7.152 25.051 ( 0.000 -2.794 0.586) 2.855 25.051 ( 0.000 2.794 0.586) 2.855 25.781 ( 0.000 -5.860 -12.251) 13.580 25.781 ( 0.000 5.860 -12.251) 13.580 26.654 ( 0.000 -3.099 -7.493) 8.109 26.654 ( 0.000 3.099 -7.493) 8.109 27.800 ( 0.000 -17.434 2.309) 17.587 27.800 ( 0.000 17.434 2.309) 17.587 28.992 ( 0.000 -2.084 12.064) 12.242 28.992 ( 0.000 2.084 12.064) 12.242 29.973 ( 0.000 -12.001 9.843) 15.521 29.973 ( 0.000 12.001 9.843) 15.521 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.616 ( 12.510 -19.490 7.955) 24.488 3.616 ( 12.510 19.490 7.955) 24.488 4.004 ( 7.395 -21.045 18.989) 29.295 4.004 ( 7.395 21.045 18.989) 29.295 4.593 ( -9.536 -12.235 20.592) 25.781 4.593 ( -9.536 12.235 20.592) 25.781 4.743 ( -7.257 -12.262 8.918) 16.809 4.743 ( -7.257 12.262 8.918) 16.809 5.345 ( 0.286 -6.885 0.193) 6.894 5.345 ( 0.286 6.885 0.193) 6.894 5.480 ( 0.194 -3.113 2.071) 3.744 5.480 ( 0.194 3.113 2.071) 3.744 5.932 ( -5.442 -9.852 -2.554) 11.541 5.932 ( -5.442 9.852 -2.554) 11.541 6.242 ( -2.862 -6.975 -4.742) 8.906 6.242 ( -2.862 6.975 -4.742) 8.906 6.465 ( 7.913 -10.874 0.289) 13.451 6.465 ( 7.913 10.874 0.289) 13.451 6.963 ( -1.887 -7.769 -9.330) 12.287 6.963 ( -1.887 7.769 -9.330) 12.287 7.178 ( 0.092 -1.427 -6.325) 6.485 7.178 ( 0.092 1.427 -6.325) 6.485 7.827 ( -6.058 -5.525 -4.223) 9.223 7.827 ( -6.058 5.525 -4.223) 9.223 7.917 ( 2.680 -5.502 -5.516) 8.239 7.917 ( 2.680 5.502 -5.516) 8.239 8.099 ( 6.777 -2.760 -5.010) 8.868 8.099 ( 6.777 2.760 -5.010) 8.868 8.749 ( 0.245 -1.623 -7.360) 7.541 8.749 ( 0.245 1.623 -7.360) 7.541 9.018 ( -5.646 -2.372 -10.222) 11.916 9.018 ( -5.646 2.372 -10.222) 11.916 9.295 ( 0.876 -4.955 -3.313) 6.024 9.295 ( 0.876 4.955 -3.313) 6.024 9.560 ( -2.279 -2.325 1.077) 3.430 9.560 ( -2.279 2.325 1.077) 3.430 9.717 ( 8.411 -1.954 -8.194) 11.904 9.717 ( 8.411 1.954 -8.194) 11.904 10.029 ( 1.608 -10.202 3.689) 10.967 10.029 ( 1.608 10.202 3.689) 10.967 10.417 ( -0.936 -3.220 -1.772) 3.793 10.417 ( -0.936 3.220 -1.772) 3.793 10.831 ( -8.466 -11.505 1.068) 14.324 10.831 ( -8.466 11.505 1.068) 14.324 11.398 ( 7.759 -4.231 -13.019) 15.735 11.398 ( 7.759 4.231 -13.019) 15.735 11.857 ( -3.753 -3.179 -8.567) 9.879 11.857 ( -3.753 3.179 -8.567) 9.879 12.976 ( 2.398 -2.044 8.432) 9.001 12.976 ( 2.398 2.044 8.432) 9.001 13.158 ( -1.807 -6.467 11.684) 13.476 13.158 ( -1.807 6.467 11.684) 13.476 13.455 ( 1.693 -4.017 -3.820) 5.796 13.455 ( 1.693 4.017 -3.820) 5.796 13.698 ( -5.960 -3.234 2.181) 7.123 13.698 ( -5.960 3.234 2.181) 7.123 14.670 ( 15.743 -10.819 7.299) 20.449 14.670 ( 15.743 10.819 7.299) 20.449 15.686 ( -9.616 -2.706 3.086) 10.455 15.686 ( -9.616 2.706 3.086) 10.455 16.048 ( 2.658 -6.293 -7.476) 10.128 16.048 ( 2.658 6.293 -7.476) 10.128 16.420 ( -6.479 -4.625 -3.333) 8.630 16.420 ( -6.479 4.625 -3.333) 8.630 17.880 ( 3.929 -8.143 -7.051) 11.466 17.880 ( 3.929 8.143 -7.051) 11.466 18.128 ( -2.438 -11.622 -4.840) 12.823 18.128 ( -2.438 11.622 -4.840) 12.823 24.500 ( 0.695 -7.663 0.281) 7.700 24.500 ( 0.695 7.663 0.281) 7.700 24.642 ( -3.207 -6.823 1.848) 7.762 24.642 ( -3.207 6.823 1.848) 7.762 25.106 ( 5.406 -2.390 0.488) 5.931 25.106 ( 5.406 2.390 0.488) 5.931 25.658 ( -10.667 -3.196 -8.865) 14.233 25.658 ( -10.667 3.196 -8.865) 14.233 26.801 ( 13.265 -5.826 -8.262) 16.678 26.801 ( 13.265 5.826 -8.262) 16.678 27.674 ( -11.716 -15.801 0.582) 19.679 27.674 ( -11.716 15.801 0.582) 19.679 29.140 ( 13.591 -5.297 11.671) 18.681 29.140 ( 13.591 5.297 11.671) 18.681 29.908 ( -6.723 -11.662 9.913) 16.717 29.908 ( -6.723 11.662 9.913) 16.717 ======================= Grid point 114 (45/90) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.925 ( 18.001 -18.638 11.573) 28.378 3.925 ( 18.001 18.638 11.573) 28.378 4.166 ( 2.923 -10.745 16.551) 19.948 4.166 ( 2.923 10.745 16.551) 19.948 4.374 ( -5.907 -7.938 14.827) 17.826 4.374 ( -5.907 7.938 14.827) 17.826 4.549 ( -13.194 -23.980 12.218) 29.973 4.549 ( -13.194 23.980 12.218) 29.973 5.361 ( 2.078 -8.774 -1.040) 9.077 5.361 ( 2.078 8.774 -1.040) 9.077 5.431 ( -4.652 -8.527 -0.604) 9.732 5.431 ( -4.652 8.527 -0.604) 9.732 5.923 ( 5.614 -3.678 -2.431) 7.138 5.923 ( 5.614 3.678 -2.431) 7.138 6.091 ( -10.079 -0.874 -4.574) 11.103 6.091 ( -10.079 0.874 -4.574) 11.103 6.708 ( 13.384 -10.232 -4.110) 17.341 6.708 ( 13.384 10.232 -4.110) 17.341 6.914 ( -7.072 -7.919 -11.032) 15.311 6.914 ( -7.072 7.919 -11.032) 15.311 7.249 ( 11.987 -5.847 0.213) 13.339 7.249 ( 11.987 5.847 0.213) 13.339 7.569 ( -17.784 -5.435 1.642) 18.668 7.569 ( -17.784 5.435 1.642) 18.668 8.055 ( 7.809 -6.040 -7.280) 12.266 8.055 ( 7.809 6.040 -7.280) 12.266 8.156 ( -1.660 -4.527 -5.573) 7.369 8.156 ( -1.660 4.527 -5.573) 7.369 8.786 ( 3.972 -3.371 -8.019) 9.563 8.786 ( 3.972 3.371 -8.019) 9.563 8.890 ( -6.452 -3.337 -8.620) 11.273 8.890 ( -6.452 3.337 -8.620) 11.273 9.380 ( 6.208 -0.279 -0.735) 6.258 9.380 ( 6.208 0.279 -0.735) 6.258 9.490 ( -4.851 -2.732 1.992) 5.913 9.490 ( -4.851 2.732 1.992) 5.913 9.883 ( 8.515 -7.006 -6.753) 12.930 9.883 ( 8.515 7.006 -6.753) 12.930 10.016 ( -4.167 -9.792 -1.807) 10.794 10.016 ( -4.167 9.792 -1.807) 10.794 10.453 ( 5.810 -8.169 1.262) 10.104 10.453 ( 5.810 8.169 1.262) 10.104 10.629 ( -11.267 -10.212 1.762) 15.308 10.629 ( -11.267 10.212 1.762) 15.308 11.577 ( 9.922 -5.484 -14.171) 18.148 11.577 ( 9.922 5.484 -14.171) 18.148 11.749 ( -7.531 -5.637 -12.113) 15.337 11.749 ( -7.531 5.637 -12.113) 15.337 13.037 ( 3.731 -1.469 9.657) 10.456 13.037 ( 3.731 1.469 9.657) 10.456 13.108 ( -3.357 -2.838 10.341) 11.236 13.108 ( -3.357 2.838 10.341) 11.236 13.504 ( 3.401 -3.792 -2.419) 5.639 13.504 ( 3.401 3.792 -2.419) 5.639 13.587 ( -5.209 -3.047 -0.229) 6.039 13.587 ( -5.209 3.047 -0.229) 6.039 15.032 ( 20.566 -6.081 5.973) 22.262 15.032 ( 20.566 6.081 5.973) 22.262 15.414 ( -18.055 -1.409 3.981) 18.542 15.414 ( -18.055 1.409 3.981) 18.542 16.134 ( 6.175 -3.731 -5.207) 8.898 16.134 ( 6.175 3.731 -5.207) 8.898 16.274 ( -7.994 -2.083 -3.723) 9.061 16.274 ( -7.994 2.083 -3.723) 9.061 17.971 ( 5.049 -9.654 -6.203) 12.537 17.971 ( 5.049 9.654 -6.203) 12.537 18.062 ( -4.247 -10.914 -5.356) 12.878 18.062 ( -4.247 10.914 -5.356) 12.878 24.525 ( 1.950 -7.391 0.505) 7.661 24.525 ( 1.950 7.391 0.505) 7.661 24.576 ( -3.281 -7.078 1.026) 7.868 24.576 ( -3.281 7.078 1.026) 7.868 25.244 ( 8.794 -1.599 -0.748) 8.969 25.244 ( 8.794 1.599 -0.748) 8.969 25.439 ( -11.255 -0.422 -3.942) 11.933 25.439 ( -11.255 0.422 -3.942) 11.933 27.095 ( 16.281 -9.660 -6.979) 20.177 27.095 ( 16.281 9.660 -6.979) 20.177 27.404 ( -15.565 -12.921 -3.332) 20.502 27.404 ( -15.565 12.921 -3.332) 20.502 29.439 ( 16.093 -8.478 10.861) 21.186 29.439 ( 16.093 8.478 10.861) 21.186 29.720 ( -12.621 -10.548 10.210) 19.360 29.720 ( -12.621 10.548 10.210) 19.360 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 0.000 0.000 35.442) 35.442 2.658 ( 0.000 0.000 40.923) 40.923 3.864 ( 0.000 0.000 3.214) 3.214 4.020 ( 0.000 0.000 10.133) 10.133 4.155 ( 0.000 0.000 29.120) 29.120 4.493 ( 0.000 0.000 -9.538) 9.538 4.527 ( 0.000 0.000 33.797) 33.797 4.585 ( 0.000 0.000 -2.059) 2.059 5.196 ( 0.000 0.000 2.566) 2.566 5.269 ( 0.000 0.000 -14.021) 14.021 5.289 ( 0.000 0.000 1.684) 1.684 5.340 ( 0.000 0.000 -5.074) 5.074 5.651 ( 0.000 0.000 -13.472) 13.472 5.808 ( 0.000 0.000 -0.243) 0.243 6.114 ( 0.000 0.000 13.011) 13.011 6.138 ( 0.000 0.000 -2.902) 2.902 6.475 ( 0.000 0.000 -16.962) 16.962 6.719 ( 0.000 0.000 -4.114) 4.114 6.758 ( 0.000 0.000 6.823) 6.823 6.829 ( 0.000 0.000 6.035) 6.035 6.953 ( 0.000 0.000 7.116) 7.116 7.378 ( 0.000 0.000 -1.557) 1.557 7.499 ( 0.000 0.000 10.199) 10.199 7.569 ( 0.000 0.000 -5.171) 5.171 7.752 ( 0.000 0.000 -10.391) 10.391 7.953 ( 0.000 0.000 -5.434) 5.434 7.977 ( 0.000 0.000 -1.785) 1.785 8.046 ( 0.000 0.000 -0.613) 0.613 8.055 ( 0.000 0.000 -17.900) 17.900 8.233 ( 0.000 0.000 -4.980) 4.980 8.592 ( 0.000 0.000 -2.274) 2.274 8.843 ( 0.000 0.000 -12.020) 12.020 9.073 ( 0.000 0.000 12.001) 12.001 9.161 ( 0.000 0.000 -0.225) 0.225 9.384 ( 0.000 0.000 5.665) 5.665 9.404 ( 0.000 0.000 -16.970) 16.970 9.511 ( 0.000 0.000 1.959) 1.959 9.941 ( 0.000 0.000 1.474) 1.474 10.010 ( 0.000 0.000 0.622) 0.622 10.244 ( 0.000 0.000 -10.063) 10.063 10.351 ( 0.000 0.000 7.039) 7.039 10.434 ( 0.000 0.000 -1.905) 1.905 10.909 ( 0.000 0.000 -8.672) 8.672 11.307 ( 0.000 0.000 -0.103) 0.103 11.393 ( 0.000 0.000 -17.494) 17.494 12.020 ( 0.000 0.000 -20.845) 20.845 12.119 ( 0.000 0.000 -3.663) 3.663 12.345 ( 0.000 0.000 -8.544) 8.544 12.596 ( 0.000 0.000 4.388) 4.388 13.231 ( 0.000 0.000 3.278) 3.278 13.388 ( 0.000 0.000 6.597) 6.597 13.408 ( 0.000 0.000 10.632) 10.632 13.443 ( 0.000 0.000 1.804) 1.804 13.530 ( 0.000 0.000 10.083) 10.083 13.552 ( 0.000 0.000 0.131) 0.131 13.987 ( 0.000 0.000 -14.613) 14.613 14.225 ( 0.000 0.000 10.241) 10.241 14.876 ( 0.000 0.000 -2.292) 2.292 15.503 ( 0.000 0.000 4.650) 4.650 15.731 ( 0.000 0.000 -1.278) 1.278 15.827 ( 0.000 0.000 0.772) 0.772 16.158 ( 0.000 0.000 -13.195) 13.195 16.287 ( 0.000 0.000 3.087) 3.087 16.676 ( 0.000 0.000 -5.565) 5.565 17.139 ( 0.000 0.000 2.855) 2.855 18.002 ( 0.000 0.000 -13.593) 13.593 19.023 ( 0.000 0.000 -3.402) 3.402 19.059 ( 0.000 0.000 -1.587) 1.587 23.819 ( 0.000 0.000 1.131) 1.131 23.981 ( 0.000 0.000 -2.535) 2.535 24.055 ( 0.000 0.000 2.337) 2.337 24.243 ( 0.000 0.000 -1.664) 1.664 24.796 ( 0.000 0.000 0.468) 0.468 24.875 ( 0.000 0.000 -0.961) 0.961 25.119 ( 0.000 0.000 4.681) 4.681 25.376 ( 0.000 0.000 -1.442) 1.442 26.587 ( 0.000 0.000 1.467) 1.467 26.647 ( 0.000 0.000 1.410) 1.410 27.415 ( 0.000 0.000 7.496) 7.496 28.461 ( 0.000 0.000 -8.943) 8.943 29.346 ( 0.000 0.000 9.130) 9.130 29.520 ( 0.000 0.000 -1.115) 1.115 30.011 ( 0.000 0.000 17.395) 17.395 31.216 ( 0.000 0.000 -12.085) 12.085 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 12.389 0.000 32.663) 34.933 2.878 ( 20.959 0.000 36.397) 42.000 3.618 ( -17.501 0.000 11.471) 20.925 4.094 ( -7.790 0.000 25.923) 27.069 4.203 ( 10.720 0.000 2.594) 11.030 4.478 ( -1.515 0.000 -8.838) 8.967 4.579 ( 5.444 0.000 30.626) 31.106 4.582 ( 0.266 0.000 -2.197) 2.213 4.976 ( -12.641 0.000 -7.522) 14.710 5.004 ( -11.638 0.000 -2.359) 11.875 5.431 ( 8.728 0.000 -9.237) 12.708 5.635 ( -9.040 0.000 8.795) 12.612 5.674 ( 1.430 0.000 -12.781) 12.861 5.703 ( 13.373 0.000 7.593) 15.379 6.158 ( 2.915 0.000 -3.921) 4.886 6.287 ( 12.296 0.000 7.441) 14.372 6.481 ( -0.440 0.000 -15.522) 15.528 6.572 ( -0.152 0.000 -3.036) 3.040 6.752 ( -1.318 0.000 10.073) 10.159 6.970 ( 2.377 0.000 5.708) 6.183 7.154 ( 18.322 0.000 -4.319) 18.824 7.408 ( 2.891 0.000 -2.259) 3.669 7.431 ( -5.935 0.000 10.591) 12.141 7.465 ( -9.116 0.000 -4.337) 10.095 7.604 ( -22.048 0.000 1.282) 22.085 7.708 ( -4.609 0.000 -8.206) 9.412 8.010 ( 3.153 0.000 -2.258) 3.878 8.032 ( -4.554 0.000 -19.151) 19.685 8.073 ( 1.897 0.000 -2.049) 2.792 8.079 ( -18.448 0.000 -6.657) 19.613 8.650 ( 2.440 0.000 -3.522) 4.284 8.758 ( -6.183 0.000 -10.958) 12.582 9.102 ( 2.964 0.000 11.518) 11.893 9.229 ( 6.423 0.000 1.659) 6.634 9.353 ( 4.998 0.000 -4.201) 6.529 9.440 ( -6.369 0.000 4.030) 7.537 9.734 ( 19.462 0.000 -3.622) 19.796 9.964 ( 1.784 0.000 0.945) 2.019 10.015 ( 0.337 0.000 0.655) 0.737 10.291 ( 9.139 0.000 -8.426) 12.430 10.489 ( 5.397 0.000 -2.977) 6.163 10.494 ( 10.132 0.000 3.812) 10.825 10.871 ( -3.888 0.000 -8.249) 9.120 11.141 ( -16.881 0.000 -0.217) 16.882 11.365 ( -1.965 0.000 -17.568) 17.677 11.893 ( -11.749 0.000 -8.576) 14.546 12.050 ( -1.056 0.000 -16.216) 16.251 12.389 ( -2.720 0.000 -16.111) 16.339 12.644 ( 4.894 0.000 4.187) 6.440 13.133 ( -8.431 0.000 3.428) 9.101 13.322 ( 7.429 0.000 16.612) 18.198 13.395 ( 0.551 0.000 5.023) 5.053 13.438 ( -0.555 0.000 3.770) 3.810 13.628 ( 6.325 0.000 -1.667) 6.541 13.954 ( 25.149 0.000 7.209) 26.162 13.956 ( -3.107 0.000 -12.918) 13.286 14.164 ( -5.426 0.000 8.769) 10.312 14.866 ( -1.982 0.000 -2.908) 3.519 15.528 ( 2.519 0.000 3.833) 4.587 15.712 ( -1.920 0.000 -0.882) 2.113 15.826 ( 1.056 0.000 2.265) 2.499 16.155 ( -0.193 0.000 -10.893) 10.894 16.248 ( -3.690 0.000 1.436) 3.960 16.536 ( -12.651 0.000 -4.752) 13.513 17.237 ( 8.590 0.000 2.149) 8.855 17.895 ( -10.204 0.000 -8.494) 13.277 18.998 ( -0.661 0.000 -3.459) 3.522 19.077 ( 0.209 0.000 -4.054) 4.059 23.828 ( 0.933 0.000 1.010) 1.375 23.945 ( -2.653 0.000 -0.914) 2.807 24.093 ( 2.892 0.000 0.687) 2.972 24.232 ( -1.202 0.000 -1.509) 1.929 24.802 ( 0.567 0.000 0.490) 0.749 24.870 ( -0.690 0.000 -0.844) 1.090 25.135 ( 1.908 0.000 4.028) 4.457 25.348 ( -2.800 0.000 -1.005) 2.975 26.580 ( 2.659 0.000 3.219) 4.175 26.793 ( 8.596 0.000 2.832) 9.050 27.400 ( 1.178 0.000 1.451) 1.868 28.330 ( -13.669 0.000 -11.017) 17.557 29.304 ( 0.537 0.000 10.811) 10.824 29.559 ( 0.029 0.000 6.624) 6.624 30.190 ( 16.634 0.000 8.186) 18.539 31.134 ( -8.491 0.000 -10.442) 13.459 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 19.362 0.000 26.220) 32.594 3.250 ( -20.358 0.000 18.820) 27.725 3.359 ( 26.589 0.000 28.977) 39.328 3.823 ( -20.188 0.000 25.024) 32.153 4.366 ( 5.804 0.000 -3.562) 6.810 4.439 ( -2.556 0.000 -7.145) 7.588 4.630 ( 5.542 0.000 -1.206) 5.672 4.697 ( 5.975 0.000 12.868) 14.188 4.790 ( -10.288 0.000 -1.232) 10.361 4.813 ( -6.243 0.000 -4.529) 7.713 5.574 ( 6.190 0.000 -10.242) 11.967 5.581 ( 6.167 0.000 15.230) 16.431 5.664 ( -2.831 0.000 -11.314) 11.663 5.763 ( -7.338 0.000 14.817) 16.534 6.268 ( 8.010 0.000 -6.729) 10.462 6.418 ( -6.317 0.000 -10.901) 12.599 6.490 ( 9.457 0.000 11.149) 14.620 6.641 ( -4.780 0.000 11.211) 12.187 6.838 ( 17.260 0.000 -5.971) 18.264 7.070 ( 8.172 0.000 0.874) 8.219 7.142 ( -14.195 0.000 6.045) 15.429 7.262 ( -11.040 0.000 -3.079) 11.461 7.356 ( 1.582 0.000 7.304) 7.474 7.488 ( 5.151 0.000 -2.964) 5.943 7.540 ( -1.023 0.000 -6.466) 6.547 7.599 ( -6.135 0.000 -5.107) 7.982 7.695 ( -6.129 0.000 -7.388) 9.599 7.889 ( -10.856 0.000 -16.561) 19.802 8.070 ( 2.463 0.000 -3.191) 4.030 8.094 ( -0.005 0.000 -3.127) 3.127 8.654 ( -0.632 0.000 -8.628) 8.651 8.669 ( -2.640 0.000 -11.683) 11.978 9.183 ( 5.414 0.000 10.033) 11.400 9.305 ( -7.064 0.000 7.421) 10.245 9.358 ( 5.806 0.000 3.912) 7.001 9.419 ( 0.085 0.000 3.205) 3.206 9.995 ( 1.354 0.000 0.709) 1.529 10.014 ( -0.556 0.000 0.698) 0.893 10.131 ( 22.979 0.000 -1.198) 23.010 10.477 ( -0.323 0.000 -4.912) 4.923 10.622 ( 7.796 0.000 -5.155) 9.347 10.654 ( 4.930 0.000 1.260) 5.088 10.755 ( -15.826 0.000 -4.766) 16.528 10.766 ( -6.822 0.000 -7.043) 9.805 11.394 ( 7.315 0.000 -14.354) 16.110 11.636 ( -14.918 0.000 -9.108) 17.479 12.099 ( 6.157 0.000 -20.950) 21.836 12.254 ( -8.955 0.000 -20.847) 22.689 12.775 ( 8.385 0.000 3.796) 9.204 12.952 ( -9.768 0.000 3.537) 10.389 13.408 ( 0.768 0.000 4.355) 4.422 13.424 ( -0.846 0.000 4.292) 4.375 13.615 ( 18.701 0.000 15.374) 24.209 13.756 ( 6.645 0.000 -4.822) 8.211 13.873 ( -5.380 0.000 -8.979) 10.467 13.942 ( -14.156 0.000 13.686) 19.690 14.437 ( 20.520 0.000 1.330) 20.564 14.747 ( -11.291 0.000 -1.355) 11.372 15.591 ( 3.706 0.000 2.030) 4.225 15.661 ( -3.345 0.000 0.276) 3.356 15.931 ( 10.557 0.000 2.204) 10.785 16.146 ( -5.303 0.000 1.210) 5.439 16.170 ( -0.734 0.000 -9.034) 9.063 16.266 ( -12.270 0.000 -4.190) 12.966 17.431 ( 11.286 0.000 1.155) 11.345 17.663 ( -12.734 0.000 -1.679) 12.844 19.013 ( 1.961 0.000 -5.250) 5.605 19.057 ( -2.069 0.000 -5.551) 5.924 23.854 ( 1.784 0.000 0.660) 1.902 23.895 ( -2.447 0.000 0.077) 2.449 24.149 ( 2.848 0.000 -0.385) 2.874 24.198 ( -2.204 0.000 -1.071) 2.450 24.819 ( 1.242 0.000 0.343) 1.289 24.847 ( -1.519 0.000 -0.168) 1.529 25.194 ( 4.003 0.000 2.112) 4.526 25.277 ( -4.336 0.000 0.229) 4.342 26.685 ( 7.510 0.000 5.895) 9.547 26.825 ( -5.198 0.000 7.963) 9.509 27.585 ( 17.772 0.000 -10.126) 20.454 27.979 ( -21.144 0.000 -12.209) 24.415 29.385 ( 6.431 0.000 12.172) 13.766 29.504 ( -5.152 0.000 11.268) 12.390 30.555 ( 19.597 0.000 -0.901) 19.617 30.899 ( -15.598 0.000 -6.441) 16.875 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 0.000 24.561 29.450) 38.348 2.736 ( 0.000 7.566 37.350) 38.109 4.043 ( 0.000 16.072 3.726) 16.499 4.081 ( 0.000 2.415 14.840) 15.035 4.252 ( 0.000 10.473 18.386) 21.160 4.591 ( 0.000 7.313 31.905) 32.732 4.596 ( 0.000 8.641 -7.426) 11.394 4.740 ( 0.000 13.453 1.850) 13.580 5.146 ( 0.000 -5.036 -0.799) 5.099 5.243 ( 0.000 -1.816 -3.222) 3.698 5.375 ( 0.000 6.336 -5.052) 8.104 5.424 ( 0.000 8.009 3.602) 8.782 5.652 ( 0.000 -8.680 -0.205) 8.682 5.790 ( 0.000 9.729 -12.656) 15.964 6.107 ( 0.000 0.414 6.993) 7.005 6.203 ( 0.000 3.436 -5.398) 6.399 6.531 ( 0.000 -8.641 -3.271) 9.239 6.564 ( 0.000 7.038 -14.306) 15.943 6.629 ( 0.000 -10.122 4.570) 11.106 6.811 ( 0.000 -1.435 4.407) 4.635 7.158 ( 0.000 7.888 0.125) 7.889 7.221 ( 0.000 -10.845 7.529) 13.202 7.511 ( 0.000 -2.749 -3.336) 4.322 7.561 ( 0.000 2.774 -0.696) 2.860 7.760 ( 0.000 -0.260 -8.976) 8.980 7.931 ( 0.000 2.312 2.179) 3.177 7.966 ( 0.000 -3.484 -2.526) 4.303 8.125 ( 0.000 0.912 -12.139) 12.174 8.178 ( 0.000 13.018 -5.114) 13.986 8.299 ( 0.000 7.270 -4.712) 8.663 8.587 ( 0.000 -0.324 -2.397) 2.419 8.812 ( 0.000 -2.473 -12.674) 12.914 8.999 ( 0.000 -4.146 5.744) 7.084 9.170 ( 0.000 2.030 0.648) 2.131 9.387 ( 0.000 -1.355 -16.782) 16.837 9.502 ( 0.000 7.101 6.276) 9.477 9.569 ( 0.000 4.509 1.631) 4.795 9.962 ( 0.000 0.446 0.810) 0.925 9.994 ( 0.000 -1.505 0.074) 1.507 10.221 ( 0.000 -5.598 0.194) 5.602 10.260 ( 0.000 1.338 -8.689) 8.792 10.504 ( 0.000 2.507 1.688) 3.022 10.689 ( 0.000 -16.480 -9.227) 18.888 11.330 ( 0.000 -4.962 -10.088) 11.242 11.449 ( 0.000 8.472 -8.147) 11.753 11.953 ( 0.000 -6.326 -15.339) 16.592 12.020 ( 0.000 -8.996 -2.668) 9.383 12.110 ( 0.000 -15.236 -4.126) 15.785 12.776 ( 0.000 10.422 -0.445) 10.431 13.139 ( 0.000 -9.737 11.452) 15.032 13.223 ( 0.000 -5.655 4.301) 7.105 13.388 ( 0.000 3.257 2.430) 4.064 13.496 ( 0.000 -0.984 1.468) 1.767 13.565 ( 0.000 0.444 2.878) 2.912 13.743 ( 0.000 13.192 2.677) 13.461 13.960 ( 0.000 -2.979 -9.550) 10.004 14.268 ( 0.000 3.592 12.507) 13.013 14.965 ( 0.000 6.492 -2.888) 7.105 15.485 ( 0.000 -0.831 3.182) 3.289 15.712 ( 0.000 -1.444 -1.164) 1.855 15.861 ( 0.000 3.157 0.528) 3.201 16.135 ( 0.000 -2.158 -12.638) 12.821 16.277 ( 0.000 -0.864 3.131) 3.248 16.646 ( 0.000 -2.722 -5.405) 6.052 17.210 ( 0.000 6.537 1.795) 6.779 17.979 ( 0.000 -2.205 -12.805) 12.993 18.771 ( 0.000 -23.385 3.134) 23.594 18.899 ( 0.000 -11.006 -3.950) 11.694 24.046 ( 0.000 10.743 0.188) 10.744 24.112 ( 0.000 9.803 -2.222) 10.052 24.227 ( 0.000 22.188 -6.166) 23.029 24.244 ( 0.000 2.473 -1.547) 2.917 24.836 ( 0.000 3.550 1.217) 3.753 24.987 ( 0.000 9.463 -1.870) 9.646 25.093 ( 0.000 -2.144 4.639) 5.111 25.347 ( 0.000 -2.762 -1.350) 3.074 26.575 ( 0.000 -1.095 1.373) 1.756 26.637 ( 0.000 -0.837 0.809) 1.164 27.421 ( 0.000 0.708 7.261) 7.295 28.427 ( 0.000 -3.472 -9.661) 10.266 29.341 ( 0.000 -0.509 9.175) 9.189 29.456 ( 0.000 -5.470 1.829) 5.768 30.000 ( 0.000 -0.873 16.889) 16.911 31.072 ( 0.000 -12.674 -8.061) 15.020 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.20 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 10.902 20.213 29.525) 37.405 2.962 ( 19.885 9.581 31.271) 38.276 3.803 ( -16.106 15.678 9.966) 24.587 4.113 ( -5.234 2.647 24.069) 24.774 4.302 ( 3.786 7.682 3.241) 9.157 4.539 ( -3.405 4.950 1.503) 6.193 4.681 ( 5.459 9.787 16.207) 19.704 4.746 ( 2.191 14.663 3.157) 15.158 4.935 ( -10.167 0.147 -6.614) 12.130 5.177 ( -8.458 11.485 -0.342) 14.267 5.453 ( 7.322 -3.808 -0.695) 8.282 5.575 ( -0.757 2.349 -0.442) 2.507 5.681 ( 9.762 -1.171 6.662) 11.876 5.820 ( 1.977 8.262 -11.400) 14.217 5.994 ( -4.720 -6.715 3.631) 8.976 6.296 ( 5.687 -3.297 -0.770) 6.618 6.496 ( -6.090 -2.374 -4.877) 8.155 6.569 ( 6.774 -2.023 -5.272) 8.819 6.668 ( 2.790 -0.465 -3.802) 4.739 6.958 ( 8.407 -1.031 3.689) 9.239 7.180 ( 2.648 -4.978 -0.195) 5.642 7.221 ( 0.486 -6.562 4.879) 8.192 7.419 ( -8.325 0.268 -2.481) 8.691 7.583 ( -0.551 1.772 -3.279) 3.767 7.673 ( -8.611 5.925 1.251) 10.527 7.719 ( -7.966 3.348 -1.589) 8.786 8.045 ( -6.049 1.249 -13.791) 15.111 8.048 ( 0.187 -0.125 0.211) 0.308 8.149 ( -6.666 8.332 -5.027) 11.795 8.175 ( -6.076 10.084 -7.633) 14.031 8.626 ( 2.012 -1.796 -3.045) 4.068 8.759 ( -4.118 0.332 -11.530) 12.248 9.089 ( 5.013 -0.415 5.109) 7.170 9.197 ( 3.894 -2.223 1.476) 4.721 9.382 ( 1.469 2.099 -4.239) 4.953 9.519 ( -2.025 5.482 3.163) 6.645 9.714 ( 14.838 -1.587 -1.275) 14.977 9.968 ( 1.071 -0.989 0.615) 1.582 10.059 ( 2.100 4.767 -0.388) 5.224 10.284 ( 12.064 -5.792 -3.574) 13.852 10.357 ( 6.635 -1.019 -6.932) 9.650 10.562 ( 5.046 0.832 1.054) 5.222 10.660 ( -2.732 -15.126 -8.016) 17.336 11.223 ( -14.845 1.447 0.562) 14.926 11.348 ( -4.792 0.613 -18.636) 19.252 11.820 ( -11.807 -6.975 -7.870) 15.811 11.974 ( 0.162 -6.767 -9.792) 11.904 12.185 ( 1.091 -14.251 -12.773) 19.168 12.782 ( 1.322 8.775 0.013) 8.874 13.165 ( 6.061 -6.805 11.855) 14.953 13.219 ( -6.160 1.722 2.155) 6.749 13.357 ( -0.847 -3.183 6.042) 6.882 13.472 ( -0.083 1.289 1.878) 2.280 13.576 ( 5.033 -3.176 0.154) 5.953 13.849 ( 1.191 -1.090 -5.011) 5.265 14.111 ( 11.275 0.574 0.437) 11.298 14.255 ( 3.726 10.872 11.717) 16.413 14.971 ( -0.552 7.955 -3.709) 8.795 15.508 ( 2.148 -1.165 2.593) 3.563 15.686 ( -2.460 -2.064 -0.916) 3.339 15.848 ( 0.068 1.993 2.299) 3.043 16.138 ( 0.315 -1.522 -10.576) 10.690 16.240 ( -3.476 -0.620 1.630) 3.889 16.520 ( -11.813 -1.620 -4.793) 12.851 17.288 ( 7.107 4.898 1.437) 8.750 17.869 ( -10.024 -2.391 -7.480) 12.734 18.796 ( 2.295 -19.212 -0.781) 19.365 18.901 ( -0.018 -12.501 -4.201) 13.188 24.043 ( -0.157 11.602 0.143) 11.604 24.106 ( -0.992 11.465 -2.237) 11.724 24.206 ( -0.808 13.866 -3.086) 14.228 24.248 ( -0.279 6.317 -2.768) 6.902 24.847 ( 1.077 3.999 1.118) 4.289 24.966 ( -1.963 7.805 -0.772) 8.085 25.118 ( 2.515 -0.962 3.230) 4.205 25.322 ( -2.476 -2.420 -0.981) 3.598 26.575 ( 3.118 -0.350 2.867) 4.251 26.786 ( 9.425 -0.529 1.829) 9.616 27.391 ( -0.472 -0.697 1.852) 2.034 28.285 ( -14.323 -4.353 -11.122) 18.649 29.298 ( 1.515 -0.466 11.119) 11.231 29.552 ( 2.618 -0.647 6.546) 7.080 30.133 ( 13.594 -4.909 9.912) 17.525 30.996 ( -7.846 -12.173 -6.900) 16.042 ======================= Grid point 142 (51/90) ======================= q-point: ( 0.40 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( 18.172 19.492 23.605) 35.600 3.406 ( 16.510 8.220 23.089) 29.551 3.473 ( -10.176 16.014 19.056) 26.891 3.868 ( -19.445 4.639 23.372) 30.755 4.373 ( 3.997 0.993 0.721) 4.181 4.459 ( -4.674 1.755 -0.623) 5.032 4.747 ( 2.572 9.265 2.583) 9.956 4.806 ( -4.106 4.988 -5.092) 8.226 4.860 ( 7.585 14.802 2.212) 16.779 5.017 ( -8.454 14.547 -2.516) 17.013 5.545 ( 6.889 -2.968 14.830) 16.619 5.632 ( 3.742 1.709 1.010) 4.236 5.751 ( -3.100 2.433 2.895) 4.890 5.786 ( -4.434 10.251 -9.856) 14.896 6.056 ( 9.644 -15.011 1.763) 17.929 6.267 ( -10.587 -10.727 -1.756) 15.173 6.490 ( 7.618 -2.927 -0.853) 8.206 6.618 ( -4.003 -5.473 -2.767) 7.324 6.862 ( 16.041 4.484 -2.606) 16.858 7.024 ( -0.684 -0.932 7.580) 7.668 7.195 ( -4.432 -4.319 -0.374) 6.200 7.242 ( -4.446 -1.783 -2.667) 5.482 7.260 ( 4.288 -2.977 5.124) 7.314 7.452 ( -11.780 -3.213 -2.610) 12.486 7.636 ( 1.935 8.771 -0.352) 8.989 7.697 ( 2.301 8.489 -5.526) 10.387 7.818 ( -5.859 7.988 -7.489) 12.419 7.942 ( -9.472 5.761 -14.522) 18.270 8.117 ( 1.988 2.744 -1.949) 3.909 8.148 ( -1.218 7.053 -2.194) 7.486 8.648 ( 1.054 -0.288 -7.886) 7.962 8.686 ( -3.010 1.769 -11.200) 11.731 9.157 ( 3.354 -1.366 3.236) 4.857 9.223 ( -2.607 -4.367 3.851) 6.380 9.438 ( 4.677 4.616 4.803) 8.140 9.506 ( -1.536 5.697 6.058) 8.457 9.972 ( 6.387 -3.569 -0.502) 7.333 9.994 ( 1.242 -0.818 0.536) 1.580 10.147 ( 13.460 1.571 -0.560) 13.563 10.438 ( -7.732 -5.610 -4.992) 10.779 10.491 ( 8.072 -9.801 -5.305) 13.761 10.620 ( -1.222 -3.901 -2.382) 4.732 10.688 ( 8.579 0.658 -3.274) 9.206 10.874 ( -14.919 4.666 -4.247) 16.199 11.338 ( 5.225 -5.110 -15.397) 17.044 11.558 ( -14.871 -7.303 -9.495) 19.095 12.025 ( 4.944 -6.475 -16.155) 18.093 12.133 ( -5.319 -9.779 -17.793) 20.988 12.866 ( 7.332 6.861 0.765) 10.070 13.039 ( -10.063 6.149 0.678) 11.812 13.301 ( 5.070 -8.495 9.311) 13.586 13.351 ( -0.896 -6.144 7.343) 9.616 13.531 ( 5.685 -3.918 -0.631) 6.933 13.626 ( -2.028 -8.676 -3.902) 9.727 13.897 ( 6.359 4.084 3.958) 8.531 14.057 ( -8.375 2.653 8.879) 12.491 14.575 ( 19.201 11.193 2.353) 22.350 14.874 ( -10.748 10.278 -2.029) 15.009 15.559 ( 3.245 -2.694 1.729) 4.558 15.628 ( -3.542 -2.790 0.132) 4.511 15.937 ( 10.065 0.609 2.220) 10.324 16.144 ( -3.953 -0.043 0.592) 3.998 16.162 ( -1.356 -0.732 -8.090) 8.236 16.259 ( -12.143 -0.616 -4.230) 12.873 17.452 ( 9.670 2.193 0.750) 9.944 17.655 ( -11.308 -0.668 -1.477) 11.423 18.846 ( 2.584 -15.034 -4.419) 15.882 18.887 ( -1.548 -13.776 -4.927) 14.713 24.048 ( 0.790 12.868 -0.135) 12.893 24.074 ( -1.829 13.484 -1.108) 13.652 24.211 ( 0.981 7.976 -2.062) 8.297 24.233 ( -1.127 6.106 -2.323) 6.629 24.877 ( 2.021 5.050 0.841) 5.504 24.921 ( -2.505 6.232 0.315) 6.724 25.182 ( 3.880 -0.802 1.384) 4.196 25.259 ( -3.914 -1.619 -0.013) 4.236 26.689 ( 7.944 0.539 5.325) 9.579 26.834 ( -5.046 1.014 7.182) 8.836 27.544 ( 16.780 -3.824 -9.732) 19.771 27.929 ( -21.044 -4.724 -11.874) 24.621 29.396 ( 7.068 1.154 12.172) 14.122 29.520 ( -4.924 1.613 11.091) 12.241 30.456 ( 18.115 -8.863 1.098) 20.197 30.778 ( -14.578 -10.868 -3.828) 18.582 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 0.000 14.832 29.390) 32.920 3.295 ( 0.000 28.194 21.764) 35.617 4.115 ( 0.000 0.886 13.158) 13.188 4.474 ( 0.000 22.772 3.443) 23.031 4.509 ( 0.000 12.620 11.697) 17.207 4.786 ( 0.000 8.134 -0.097) 8.135 4.839 ( 0.000 10.065 17.629) 20.300 4.911 ( 0.000 0.808 11.687) 11.715 5.178 ( 0.000 14.234 2.670) 14.482 5.198 ( 0.000 -10.307 1.076) 10.363 5.287 ( 0.000 -2.272 4.054) 4.647 5.661 ( 0.000 14.189 9.154) 16.886 5.716 ( 0.000 6.190 -4.879) 7.882 5.936 ( 0.000 1.778 -9.410) 9.577 6.126 ( 0.000 0.651 1.823) 1.936 6.216 ( 0.000 -1.385 -3.093) 3.389 6.452 ( 0.000 0.549 -10.632) 10.646 6.513 ( 0.000 2.755 -5.123) 5.817 6.722 ( 0.000 6.369 -13.072) 14.541 6.785 ( 0.000 -0.434 1.215) 1.290 6.993 ( 0.000 -9.454 6.086) 11.243 7.112 ( 0.000 -7.881 -0.016) 7.881 7.548 ( 0.000 3.551 -2.827) 4.539 7.582 ( 0.000 -0.590 -4.566) 4.604 7.749 ( 0.000 -0.106 -1.893) 1.896 7.913 ( 0.000 -1.421 0.240) 1.441 8.012 ( 0.000 3.846 2.842) 4.782 8.091 ( 0.000 -2.782 -5.811) 6.443 8.444 ( 0.000 10.821 -5.627) 12.197 8.515 ( 0.000 11.363 -10.158) 15.242 8.588 ( 0.000 0.551 -2.077) 2.149 8.768 ( 0.000 -0.977 -13.185) 13.221 8.933 ( 0.000 -1.417 -1.040) 1.757 9.305 ( 0.000 10.677 -0.202) 10.679 9.350 ( 0.000 -2.120 -15.919) 16.060 9.586 ( 0.000 0.128 2.924) 2.927 9.653 ( 0.000 2.005 1.031) 2.254 9.856 ( 0.000 -7.058 1.504) 7.217 9.947 ( 0.000 -2.945 -0.522) 2.991 10.232 ( 0.000 -10.395 -6.869) 12.459 10.292 ( 0.000 10.059 -4.120) 10.870 10.375 ( 0.000 -5.563 -9.317) 10.851 10.520 ( 0.000 -0.668 0.163) 0.687 11.190 ( 0.000 -7.388 -11.781) 13.906 11.608 ( 0.000 5.939 -7.551) 9.607 11.688 ( 0.000 -18.013 1.990) 18.123 11.759 ( 0.000 -15.631 -1.989) 15.757 11.876 ( 0.000 -6.809 -13.881) 15.461 12.942 ( 0.000 3.489 0.801) 3.580 13.039 ( 0.000 2.785 10.019) 10.399 13.075 ( 0.000 -5.192 4.888) 7.131 13.477 ( 0.000 -0.767 2.512) 2.627 13.487 ( 0.000 0.936 -2.687) 2.845 13.604 ( 0.000 5.784 2.510) 6.305 13.849 ( 0.000 -7.316 -1.056) 7.392 13.938 ( 0.000 4.407 1.623) 4.696 14.347 ( 0.000 3.704 14.842) 15.297 15.027 ( 0.000 -2.455 0.220) 2.464 15.527 ( 0.000 5.310 -3.476) 6.346 15.694 ( 0.000 0.287 -0.659) 0.719 15.948 ( 0.000 4.230 0.151) 4.233 16.068 ( 0.000 -4.146 -11.098) 11.847 16.263 ( 0.000 0.146 2.954) 2.958 16.575 ( 0.000 -3.686 -4.927) 6.153 17.395 ( 0.000 10.471 -0.666) 10.492 17.910 ( 0.000 -4.379 -10.738) 11.597 18.264 ( 0.000 -21.658 5.116) 22.254 18.612 ( 0.000 -15.129 -5.556) 16.117 24.219 ( 0.000 3.674 -0.319) 3.688 24.242 ( 0.000 9.871 1.249) 9.949 24.478 ( 0.000 14.959 -2.120) 15.108 24.726 ( 0.000 15.082 -13.163) 20.018 24.914 ( 0.000 2.649 1.711) 3.154 25.106 ( 0.000 8.382 0.217) 8.384 25.192 ( 0.000 4.865 -3.443) 5.960 25.285 ( 0.000 1.076 -1.562) 1.897 26.548 ( 0.000 -1.164 0.977) 1.520 26.618 ( 0.000 -0.852 -0.856) 1.208 27.456 ( 0.000 3.093 6.125) 6.862 28.303 ( 0.000 -8.592 -10.298) 13.412 29.321 ( 0.000 -1.409 9.547) 9.650 29.329 ( 0.000 -5.684 7.811) 9.660 29.991 ( 0.000 0.463 15.253) 15.260 30.749 ( 0.000 -16.574 -0.823) 16.594 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.20 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 15.223 14.109 26.915) 33.988 3.404 ( 10.919 26.610 19.930) 34.993 4.083 ( -4.364 6.245 10.200) 12.731 4.297 ( -12.493 15.886 15.598) 25.529 4.499 ( -4.577 11.195 5.596) 13.327 4.692 ( -6.541 9.908 5.017) 12.888 4.855 ( 0.555 0.685 5.170) 5.245 4.950 ( 1.025 7.517 3.387) 8.308 5.149 ( 0.980 15.483 4.912) 16.273 5.288 ( 8.638 -8.217 3.477) 12.419 5.363 ( 3.295 3.575 6.356) 8.002 5.711 ( 2.855 9.380 1.936) 9.994 5.713 ( -3.709 4.960 3.491) 7.109 5.817 ( -3.365 -2.262 -2.949) 5.014 6.102 ( -7.138 2.064 -2.523) 7.847 6.248 ( 6.817 5.822 -5.887) 10.725 6.320 ( -6.215 -6.558 -0.332) 9.041 6.539 ( -2.838 -2.852 -11.408) 12.097 6.785 ( 5.941 7.245 -10.828) 14.319 6.912 ( 8.900 -3.681 -2.041) 9.845 7.007 ( 1.663 -6.438 7.188) 9.792 7.109 ( 1.398 -4.231 0.083) 4.457 7.413 ( -9.843 -1.512 -2.372) 10.237 7.564 ( -2.650 -0.519 -4.228) 5.017 7.802 ( 2.269 5.345 -2.584) 6.356 7.874 ( -4.241 8.322 4.891) 10.544 8.035 ( 4.816 -0.640 0.620) 4.898 8.054 ( -4.370 -0.301 -7.093) 8.336 8.350 ( -9.081 9.953 -8.889) 16.141 8.456 ( -4.304 14.181 -5.979) 15.980 8.598 ( 1.285 -0.608 -3.419) 3.703 8.770 ( -0.437 0.559 -12.799) 12.819 9.055 ( 8.695 -2.531 1.356) 9.157 9.253 ( -3.335 8.602 -2.891) 9.668 9.393 ( 3.139 -1.042 -6.664) 7.440 9.596 ( 0.205 -0.613 0.890) 1.100 9.674 ( 6.929 -1.428 0.783) 7.117 9.939 ( 2.171 -0.995 1.704) 2.933 10.052 ( 10.563 -10.029 -2.822) 14.836 10.184 ( -1.543 0.643 -3.334) 3.729 10.330 ( -1.146 -10.997 -8.736) 14.092 10.451 ( 11.070 6.604 -5.437) 13.990 10.557 ( 3.032 -1.487 -0.174) 3.381 11.138 ( -5.838 -6.546 -8.147) 11.971 11.410 ( -15.355 1.347 -9.898) 18.318 11.606 ( -11.149 -12.298 -4.967) 17.327 11.749 ( 3.098 -14.081 -4.968) 15.250 11.930 ( 1.657 -8.954 -13.355) 16.164 12.928 ( 0.056 4.104 1.638) 4.420 13.084 ( 3.010 -1.248 8.495) 9.098 13.109 ( 3.052 -2.755 4.547) 6.130 13.464 ( -6.214 6.296 -0.181) 8.848 13.476 ( -3.989 0.544 1.926) 4.463 13.508 ( 0.843 -3.102 -1.765) 3.667 13.834 ( 2.231 -2.070 3.239) 4.444 14.044 ( 2.592 -6.188 4.802) 8.250 14.481 ( 14.377 9.288 10.479) 20.069 15.074 ( 3.985 -0.284 -0.726) 4.060 15.538 ( -0.265 4.737 -3.452) 5.868 15.651 ( -3.849 -0.728 -0.920) 4.023 15.895 ( -2.839 1.809 2.477) 4.180 16.095 ( 1.938 -2.586 -9.361) 9.903 16.234 ( -2.755 0.622 1.672) 3.282 16.473 ( -9.947 -2.624 -4.400) 11.188 17.437 ( 3.971 8.936 -0.708) 9.804 17.803 ( -8.343 -3.446 -5.376) 10.506 18.355 ( 6.914 -19.856 -0.254) 21.027 18.599 ( -1.403 -15.534 -5.529) 16.548 24.221 ( 0.163 4.047 -0.205) 4.055 24.240 ( -0.228 9.103 1.030) 9.164 24.478 ( 0.200 14.837 -2.452) 15.039 24.668 ( -5.181 15.476 -10.707) 19.519 24.940 ( 2.529 3.839 1.527) 4.844 25.093 ( -1.218 6.888 1.041) 7.072 25.193 ( 0.076 5.175 -2.909) 5.937 25.267 ( -1.746 0.341 -1.248) 2.173 26.574 ( 4.731 0.497 1.689) 5.048 26.775 ( 11.730 -0.584 -1.053) 11.792 27.385 ( -5.189 0.764 2.606) 5.856 28.143 ( -15.284 -9.185 -10.427) 20.657 29.292 ( 4.621 0.143 11.760) 12.636 29.530 ( 9.179 -1.689 6.640) 11.454 30.023 ( 4.836 -4.353 12.784) 14.345 30.682 ( -6.934 -16.306 -0.296) 17.721 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.40 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.499 ( 21.310 15.517 21.532) 34.037 3.685 ( 17.200 20.668 16.241) 31.413 3.881 ( -16.366 18.609 12.812) 27.898 4.029 ( -16.383 10.731 18.447) 26.904 4.445 ( 1.805 6.212 4.193) 7.709 4.552 ( -7.624 8.260 4.526) 12.118 4.883 ( 2.031 2.001 -2.586) 3.849 4.926 ( -2.315 3.834 -2.553) 5.156 5.214 ( 5.283 13.219 5.700) 15.334 5.330 ( -5.390 10.653 1.496) 12.032 5.493 ( 8.657 -1.882 4.260) 9.830 5.591 ( -4.159 -1.884 7.114) 8.453 5.763 ( 4.232 -4.994 7.885) 10.248 5.845 ( 0.218 -1.336 3.560) 3.809 6.026 ( -1.560 5.854 -7.067) 9.308 6.087 ( -10.298 -0.147 -4.620) 11.288 6.434 ( 7.585 0.061 -7.755) 10.848 6.519 ( -1.268 -2.207 -7.553) 7.970 6.893 ( 5.604 -1.210 -1.715) 5.984 6.981 ( -2.015 -6.779 -0.671) 7.104 7.076 ( 6.052 -0.922 6.031) 8.594 7.177 ( -0.408 -1.815 -0.135) 1.865 7.274 ( 1.566 2.424 0.192) 2.893 7.452 ( -10.352 3.593 0.826) 10.989 7.792 ( 0.646 5.622 -1.109) 5.767 7.868 ( -0.462 5.645 -6.177) 8.380 7.955 ( -0.284 4.261 -7.206) 8.376 8.079 ( -6.259 5.093 -8.761) 11.911 8.245 ( 3.808 10.123 -2.212) 11.039 8.361 ( -5.953 11.980 -1.258) 13.436 8.650 ( 3.991 0.373 -6.835) 7.923 8.730 ( -3.672 1.525 -10.353) 11.090 9.160 ( 2.493 1.269 -0.963) 2.958 9.198 ( -2.204 5.254 -2.403) 6.183 9.495 ( 6.931 -0.106 2.893) 7.511 9.598 ( -2.504 2.513 5.143) 6.248 9.846 ( 9.151 -8.217 -2.180) 12.491 9.949 ( -1.566 -5.193 -0.035) 5.424 10.186 ( 1.890 0.504 -2.885) 3.486 10.226 ( 2.056 -8.966 -6.829) 11.457 10.319 ( 7.275 -6.556 -1.293) 9.879 10.546 ( -7.536 -3.129 1.575) 8.311 10.741 ( 15.090 3.066 -2.636) 15.623 10.952 ( -10.530 1.761 -3.547) 11.250 11.210 ( -1.879 -6.035 -18.227) 19.292 11.355 ( -13.659 -10.106 -10.162) 19.798 11.827 ( 4.898 -12.541 -12.729) 18.528 11.912 ( -3.223 -10.420 -15.086) 18.616 12.974 ( 4.506 2.203 1.474) 5.228 13.069 ( -4.063 -3.499 2.716) 6.011 13.201 ( 5.219 1.382 6.391) 8.366 13.305 ( -6.339 4.130 3.847) 8.488 13.479 ( 0.908 -1.299 -1.046) 1.899 13.502 ( -1.202 -3.826 -1.998) 4.480 13.917 ( 5.573 -3.098 7.281) 9.678 14.017 ( -4.137 -6.498 8.060) 11.149 14.819 ( 18.254 10.860 4.180) 21.648 15.086 ( -6.499 8.117 -1.408) 10.493 15.495 ( -0.479 -3.057 1.019) 3.258 15.564 ( -5.437 -2.793 0.142) 6.114 15.955 ( 9.647 1.134 1.542) 9.835 16.137 ( 2.569 -1.197 -6.972) 7.526 16.159 ( -6.237 1.202 0.111) 6.353 16.242 ( -11.257 -0.922 -3.836) 11.928 17.530 ( 5.564 5.419 -0.905) 7.819 17.651 ( -7.084 0.830 -1.890) 7.378 18.476 ( 5.298 -18.107 -3.991) 19.284 18.556 ( -3.116 -16.612 -5.248) 17.698 24.226 ( 0.368 5.249 0.097) 5.262 24.234 ( -0.417 7.193 0.544) 7.226 24.497 ( 2.145 15.032 -3.669) 15.621 24.565 ( -4.825 15.498 -6.452) 17.467 25.000 ( 3.391 5.825 1.328) 6.870 25.058 ( -2.464 6.517 1.297) 7.087 25.200 ( 0.815 2.963 -1.516) 3.427 25.228 ( -2.010 0.160 -0.880) 2.200 26.720 ( 9.542 2.751 3.373) 10.488 26.880 ( -4.124 3.765 4.472) 7.154 27.430 ( 13.199 -6.756 -8.406) 17.044 27.784 ( -20.462 -8.957 -10.597) 24.723 29.438 ( 8.826 2.974 12.046) 15.227 29.575 ( -3.993 3.665 10.500) 11.816 30.218 ( 14.162 -12.785 5.426) 19.836 30.489 ( -12.785 -15.382 1.438) 20.053 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( 0.000 18.409 20.774) 27.757 3.813 ( 0.000 17.285 16.445) 23.858 4.085 ( 0.000 -1.778 12.066) 12.197 4.713 ( 0.000 -9.285 12.355) 15.455 4.719 ( 0.000 4.971 12.453) 13.409 4.853 ( 0.000 8.783 5.614) 10.424 4.915 ( 0.000 -0.581 3.798) 3.842 5.100 ( 0.000 14.901 1.325) 14.960 5.203 ( 0.000 12.960 9.386) 16.002 5.286 ( 0.000 -1.998 -2.573) 3.258 5.449 ( 0.000 9.253 4.899) 10.470 5.641 ( 0.000 -8.550 12.097) 14.813 5.900 ( 0.000 -2.501 -7.679) 8.076 5.972 ( 0.000 13.442 10.230) 16.893 6.166 ( 0.000 4.152 -0.460) 4.177 6.283 ( 0.000 3.903 -5.780) 6.974 6.380 ( 0.000 -10.548 -11.207) 15.390 6.543 ( 0.000 -4.271 -0.935) 4.372 6.808 ( 0.000 1.473 -1.046) 1.807 6.814 ( 0.000 5.258 -8.524) 10.015 6.931 ( 0.000 4.485 -8.055) 9.220 7.010 ( 0.000 -2.903 -1.042) 3.084 7.583 ( 0.000 2.398 -4.916) 5.470 7.626 ( 0.000 4.674 -5.449) 7.179 7.766 ( 0.000 1.763 1.450) 2.283 7.893 ( 0.000 -1.163 -2.507) 2.763 8.040 ( 0.000 -2.130 -1.114) 2.403 8.050 ( 0.000 -0.368 2.236) 2.266 8.579 ( 0.000 1.924 -8.459) 8.675 8.599 ( 0.000 0.716 -4.796) 4.850 8.668 ( 0.000 2.400 -11.760) 12.002 8.793 ( 0.000 2.334 -12.734) 12.946 9.040 ( 0.000 12.474 -3.577) 12.977 9.310 ( 0.000 -1.169 -12.152) 12.208 9.474 ( 0.000 -6.436 -3.197) 7.187 9.498 ( 0.000 2.213 -7.040) 7.380 9.586 ( 0.000 -8.320 -2.210) 8.608 9.774 ( 0.000 -14.392 -4.553) 15.095 9.905 ( 0.000 12.351 8.734) 15.127 10.078 ( 0.000 2.106 -2.033) 2.927 10.380 ( 0.000 1.620 -2.418) 2.911 10.446 ( 0.000 -0.788 0.103) 0.794 10.571 ( 0.000 10.768 -6.863) 12.769 11.056 ( 0.000 -4.730 -11.098) 12.064 11.315 ( 0.000 -15.777 -1.465) 15.845 11.370 ( 0.000 -20.683 -3.718) 21.015 11.685 ( 0.000 1.525 -9.220) 9.345 11.760 ( 0.000 -4.289 -10.681) 11.510 13.012 ( 0.000 5.780 7.338) 9.341 13.061 ( 0.000 3.696 7.117) 8.019 13.190 ( 0.000 8.771 4.215) 9.731 13.446 ( 0.000 -2.520 4.546) 5.198 13.459 ( 0.000 -3.170 -2.395) 3.973 13.603 ( 0.000 -8.802 2.723) 9.213 13.775 ( 0.000 2.308 5.617) 6.072 13.935 ( 0.000 -3.703 2.170) 4.292 14.453 ( 0.000 7.428 12.069) 14.172 14.887 ( 0.000 -9.606 4.037) 10.419 15.659 ( 0.000 6.180 -7.973) 10.088 15.731 ( 0.000 2.804 -0.539) 2.855 15.971 ( 0.000 -4.646 -7.975) 9.230 15.978 ( 0.000 -1.934 2.596) 3.237 16.319 ( 0.000 5.055 -0.302) 5.064 16.501 ( 0.000 -3.323 -4.073) 5.256 17.614 ( 0.000 8.982 -2.200) 9.247 17.806 ( 0.000 -5.093 -7.903) 9.402 17.949 ( 0.000 -6.598 -0.943) 6.665 18.298 ( 0.000 -14.355 -7.143) 16.034 24.333 ( 0.000 7.043 0.096) 7.043 24.454 ( 0.000 9.148 -0.141) 9.149 24.728 ( 0.000 7.037 0.064) 7.037 24.744 ( 0.000 -5.451 1.617) 5.686 24.997 ( 0.000 3.727 -1.435) 3.994 25.112 ( 0.000 -5.550 -1.758) 5.822 25.398 ( 0.000 12.642 -11.666) 17.202 25.450 ( 0.000 7.787 -6.043) 9.857 26.538 ( 0.000 0.388 -0.231) 0.452 26.599 ( 0.000 -1.213 -2.465) 2.747 27.569 ( 0.000 7.998 2.987) 8.538 28.070 ( 0.000 -13.008 -7.650) 15.091 29.247 ( 0.000 -1.852 11.215) 11.367 29.283 ( 0.000 -2.111 10.443) 10.654 30.037 ( 0.000 4.266 12.520) 13.227 30.422 ( 0.000 -13.967 4.911) 14.805 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.20 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( 13.156 17.108 18.697) 28.554 3.916 ( 10.262 18.725 15.186) 26.202 4.117 ( 3.492 -0.920 9.507) 10.170 4.568 ( -12.638 4.489 11.379) 17.588 4.642 ( -8.117 7.777 11.596) 16.150 4.873 ( 2.129 -9.012 7.059) 11.643 4.937 ( 0.081 2.759 2.169) 3.511 5.049 ( -5.877 14.594 3.574) 16.134 5.140 ( -2.402 7.116 5.682) 9.418 5.348 ( 1.120 -4.585 4.212) 6.326 5.494 ( 4.444 9.670 4.391) 11.513 5.646 ( -2.580 -9.539 6.055) 11.589 5.781 ( -4.366 1.770 -2.289) 5.238 5.967 ( -5.220 6.953 0.239) 8.698 6.115 ( -2.622 2.965 3.809) 5.493 6.233 ( -6.181 -4.030 -7.718) 10.677 6.433 ( 6.625 -0.005 -4.613) 8.073 6.455 ( -2.946 3.696 -2.969) 5.582 6.814 ( 1.927 -3.090 0.626) 3.695 6.871 ( 2.153 -1.088 -9.681) 9.977 7.006 ( 2.213 3.582 -3.892) 5.733 7.072 ( 8.961 0.932 0.206) 9.012 7.460 ( -6.935 8.087 -4.416) 11.533 7.619 ( 0.181 6.134 -4.787) 7.783 7.833 ( 1.901 -2.837 -5.340) 6.338 7.972 ( 0.494 -2.267 -2.489) 3.403 8.031 ( -0.046 1.232 -0.053) 1.234 8.065 ( 4.297 2.402 2.670) 5.600 8.515 ( -5.103 5.143 -8.024) 10.810 8.606 ( 0.457 1.354 -4.833) 5.039 8.677 ( -1.672 4.791 -10.895) 12.019 8.794 ( -1.422 1.946 -10.634) 10.903 9.079 ( 7.954 5.756 -2.220) 10.067 9.358 ( 1.804 -0.305 -5.881) 6.160 9.410 ( 0.498 -3.156 -4.060) 5.166 9.503 ( 1.515 0.588 -6.109) 6.322 9.693 ( 5.589 -0.652 -3.229) 6.488 9.753 ( -1.603 -13.376 -4.891) 14.332 9.970 ( 4.703 2.279 5.506) 7.591 10.117 ( 3.203 1.444 -1.347) 3.763 10.338 ( -3.113 3.911 -0.621) 5.037 10.481 ( 3.443 -3.333 -0.546) 4.823 10.627 ( 4.472 7.179 -3.925) 9.324 11.014 ( -4.416 -5.093 -10.140) 12.176 11.192 ( -10.161 -15.436 -8.354) 20.281 11.397 ( 2.473 -13.917 -3.425) 14.544 11.576 ( -9.327 1.090 -12.036) 15.266 11.763 ( -1.441 -7.340 -11.667) 13.859 13.023 ( 1.108 6.776 6.703) 9.595 13.070 ( 0.735 4.066 6.857) 8.005 13.225 ( 3.145 7.750 4.881) 9.684 13.424 ( -0.757 -4.535 0.491) 4.624 13.468 ( -1.448 -0.870 3.402) 3.798 13.546 ( -4.248 -2.028 -0.351) 4.721 13.749 ( -1.657 -4.095 5.937) 7.400 13.881 ( -3.700 -8.162 5.048) 10.286 14.650 ( 17.102 7.523 8.955) 20.719 14.982 ( 9.134 -7.027 3.455) 12.031 15.649 ( -6.247 3.980 -4.075) 8.454 15.668 ( -3.549 2.482 -3.880) 5.815 15.906 ( -2.146 -0.246 2.257) 3.124 16.024 ( 3.156 -4.204 -5.534) 7.633 16.286 ( -3.334 3.950 -0.551) 5.199 16.419 ( -8.099 -2.419 -3.434) 9.124 17.634 ( 1.863 8.388 -2.462) 8.938 17.767 ( -2.727 1.521 -5.702) 6.501 18.018 ( 5.569 -11.639 -3.243) 13.304 18.279 ( -1.985 -14.545 -6.805) 16.180 24.340 ( 0.734 7.183 0.152) 7.222 24.439 ( -1.495 9.178 0.002) 9.299 24.685 ( -2.309 0.645 -0.150) 2.402 24.740 ( -1.895 -1.148 -0.097) 2.218 25.032 ( 3.710 4.417 -0.991) 5.853 25.148 ( 3.291 -2.671 -0.959) 4.346 25.345 ( -4.809 11.366 -8.178) 14.806 25.412 ( -3.767 6.892 -4.908) 9.261 26.607 ( 7.900 2.830 -0.662) 8.418 26.751 ( 13.534 -2.022 -3.900) 14.229 27.452 ( -10.774 6.140 1.639) 12.509 27.909 ( -15.045 -12.577 -7.450) 20.978 29.314 ( 8.800 2.119 11.829) 14.895 29.470 ( 14.124 -3.961 8.462) 16.935 29.994 ( -4.011 2.187 12.332) 13.151 30.357 ( -6.689 -13.982 5.127) 16.326 ======================= Grid point 152 (57/90) ======================= q-point: ( 0.40 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( 21.264 14.799 14.673) 29.774 4.148 ( 10.547 21.307 13.385) 27.284 4.181 ( -6.809 10.057 6.582) 13.814 4.282 ( -8.929 10.678 10.132) 17.216 4.507 ( -0.375 -1.217 12.335) 12.400 4.746 ( -17.536 1.611 5.789) 18.537 4.933 ( 3.747 -1.685 1.497) 4.373 4.993 ( -1.726 10.728 0.619) 10.884 5.144 ( 2.882 -4.477 7.869) 9.501 5.251 ( -7.850 -13.636 6.382) 16.980 5.591 ( 3.482 4.291 4.723) 7.269 5.600 ( 0.420 -3.884 1.197) 4.085 5.803 ( 1.298 1.762 1.379) 2.587 5.840 ( -3.318 6.688 -0.303) 7.472 6.069 ( -3.452 -0.668 -1.949) 4.020 6.090 ( -4.489 -2.538 -2.344) 5.664 6.509 ( 5.356 5.651 -4.314) 8.901 6.554 ( 2.741 4.952 -5.675) 8.015 6.822 ( -0.091 -6.475 1.408) 6.626 6.852 ( -2.750 -5.125 -4.429) 7.311 7.137 ( 9.802 8.090 -0.507) 12.719 7.240 ( 5.536 5.575 1.997) 8.106 7.384 ( 0.731 8.624 -2.697) 9.065 7.556 ( -8.272 5.025 1.278) 9.762 7.857 ( -0.784 0.243 -3.715) 3.805 7.935 ( -4.937 2.854 -5.871) 8.185 7.987 ( 5.738 -1.935 -7.861) 9.923 8.127 ( -4.292 -1.100 -5.198) 6.830 8.472 ( 3.239 9.927 -4.515) 11.376 8.574 ( -5.240 6.972 -3.253) 9.309 8.662 ( 2.595 0.836 -9.133) 9.531 8.732 ( -4.086 -0.556 -8.614) 9.550 9.283 ( 8.681 8.910 -1.255) 12.503 9.391 ( -3.614 8.920 -4.696) 10.709 9.441 ( 8.968 -3.134 1.759) 9.661 9.589 ( 0.099 -4.795 0.313) 4.806 9.693 ( 1.858 -3.993 -4.929) 6.610 9.779 ( -1.077 -3.924 -4.562) 6.113 10.047 ( 4.942 -10.151 -0.895) 11.326 10.143 ( -2.451 -2.914 -0.292) 3.819 10.333 ( 5.387 5.402 1.381) 7.753 10.501 ( -6.394 -0.396 -0.367) 6.417 10.715 ( 6.653 -6.664 3.335) 9.990 10.876 ( -8.954 -11.415 -5.401) 15.480 11.108 ( 4.742 1.855 -18.986) 19.657 11.305 ( -12.524 4.534 -11.703) 17.730 11.540 ( 6.847 -13.685 -14.468) 21.059 11.683 ( -6.625 -11.338 -13.950) 19.159 13.052 ( 1.679 7.268 6.171) 9.681 13.076 ( -0.464 5.758 6.484) 8.684 13.295 ( 3.983 4.781 4.805) 7.862 13.383 ( -5.331 0.838 4.286) 6.892 13.435 ( 1.797 -2.686 -0.228) 3.240 13.485 ( -2.955 2.449 -0.141) 3.841 13.752 ( 2.156 -12.187 6.058) 13.780 13.812 ( -3.561 -11.465 6.156) 13.492 15.012 ( 18.815 7.482 4.568) 20.757 15.180 ( 8.017 0.815 1.881) 8.275 15.449 ( -10.937 -0.798 -0.028) 10.966 15.512 ( -11.187 -2.387 0.828) 11.469 15.990 ( 9.573 2.305 -0.379) 9.854 16.103 ( 4.773 -2.070 -4.845) 7.109 16.194 ( -7.180 1.647 -0.628) 7.393 16.226 ( -9.706 -0.558 -3.099) 10.204 17.676 ( 2.289 7.784 -3.134) 8.698 17.719 ( -2.273 6.631 -4.115) 8.128 18.129 ( 5.548 -14.628 -4.913) 16.398 18.221 ( -3.979 -14.923 -5.988) 16.564 24.363 ( 1.677 7.723 0.252) 7.907 24.401 ( -2.215 8.644 0.232) 8.926 24.663 ( 0.208 -1.076 -1.135) 1.578 24.691 ( -2.479 -1.414 -1.331) 3.149 25.126 ( 5.632 6.358 -0.886) 8.540 25.222 ( 2.739 3.342 -0.564) 4.358 25.242 ( -4.002 6.997 -3.669) 8.856 25.322 ( -5.148 4.679 -2.613) 7.431 26.817 ( 12.819 6.557 -0.316) 14.402 26.990 ( 2.937 5.587 -1.114) 6.410 27.283 ( 1.705 -5.872 -5.268) 8.071 27.564 ( -19.344 -11.631 -7.914) 23.919 29.526 ( 11.543 5.487 11.508) 17.198 29.671 ( 0.882 4.862 9.249) 10.486 29.963 ( 5.707 -10.136 9.471) 15.000 30.174 ( -11.871 -13.961 6.004) 19.284 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.710 ( 0.000 -16.414 13.371) 21.171 3.710 ( 0.000 16.414 13.371) 21.171 4.365 ( 0.000 -19.393 19.059) 27.190 4.365 ( 0.000 19.393 19.059) 27.190 4.851 ( 0.000 -6.675 -2.306) 7.063 4.851 ( 0.000 6.675 -2.306) 7.063 5.077 ( 0.000 -9.868 12.848) 16.201 5.077 ( 0.000 9.868 12.848) 16.201 5.367 ( 0.000 -2.229 0.039) 2.230 5.367 ( 0.000 2.229 0.039) 2.230 5.554 ( 0.000 -0.480 7.635) 7.650 5.554 ( 0.000 0.480 7.635) 7.650 5.967 ( 0.000 -10.995 -3.498) 11.538 5.967 ( 0.000 10.995 -3.498) 11.538 6.261 ( 0.000 -4.645 1.432) 4.861 6.261 ( 0.000 4.645 1.432) 4.861 6.371 ( 0.000 -10.551 -0.062) 10.551 6.371 ( 0.000 10.551 -0.062) 10.551 6.880 ( 0.000 -3.730 -7.521) 8.395 6.880 ( 0.000 3.730 -7.521) 8.395 6.965 ( 0.000 -1.791 -5.625) 5.903 6.965 ( 0.000 1.791 -5.625) 5.903 7.674 ( 0.000 -2.513 -6.273) 6.758 7.674 ( 0.000 2.513 -6.273) 6.758 7.832 ( 0.000 -4.527 -2.935) 5.396 7.832 ( 0.000 4.527 -2.935) 5.396 8.020 ( 0.000 -1.186 3.935) 4.110 8.020 ( 0.000 1.186 3.935) 4.110 8.594 ( 0.000 -0.717 -8.273) 8.304 8.594 ( 0.000 0.717 -8.273) 8.304 8.757 ( 0.000 -5.781 -14.169) 15.303 8.757 ( 0.000 5.781 -14.169) 15.303 9.330 ( 0.000 -0.244 -11.389) 11.392 9.330 ( 0.000 0.244 -11.389) 11.392 9.351 ( 0.000 -9.894 -0.335) 9.900 9.351 ( 0.000 9.894 -0.335) 9.900 9.552 ( 0.000 -4.658 -5.316) 7.068 9.552 ( 0.000 4.658 -5.316) 7.068 10.120 ( 0.000 -2.893 5.545) 6.254 10.120 ( 0.000 2.893 5.545) 6.254 10.408 ( 0.000 -1.254 -0.390) 1.313 10.408 ( 0.000 1.254 -0.390) 1.313 10.877 ( 0.000 -17.163 -4.230) 17.676 10.877 ( 0.000 17.163 -4.230) 17.676 11.098 ( 0.000 -2.761 -9.843) 10.223 11.098 ( 0.000 2.761 -9.843) 10.223 11.703 ( 0.000 -1.186 -9.460) 9.534 11.703 ( 0.000 1.186 -9.460) 9.534 13.133 ( 0.000 -1.403 9.278) 9.383 13.133 ( 0.000 1.403 9.278) 9.383 13.344 ( 0.000 -5.333 -2.975) 6.107 13.344 ( 0.000 5.333 -2.975) 6.107 13.437 ( 0.000 -5.179 9.862) 11.139 13.437 ( 0.000 5.179 9.862) 11.139 13.838 ( 0.000 -4.204 2.818) 5.061 13.838 ( 0.000 4.204 2.818) 5.061 14.659 ( 0.000 -11.303 7.385) 13.502 14.659 ( 0.000 11.303 7.385) 13.502 15.758 ( 0.000 -2.130 -6.936) 7.256 15.758 ( 0.000 2.130 -6.936) 7.256 15.920 ( 0.000 -1.296 1.224) 1.783 15.920 ( 0.000 1.296 1.224) 1.783 16.425 ( 0.000 -4.305 -2.847) 5.161 16.425 ( 0.000 4.305 -2.847) 5.161 17.718 ( 0.000 -2.984 -3.948) 4.949 17.718 ( 0.000 2.984 -3.948) 4.949 18.025 ( 0.000 -10.892 -7.031) 12.964 18.025 ( 0.000 10.892 -7.031) 12.964 24.490 ( 0.000 -6.448 -0.610) 6.477 24.490 ( 0.000 6.448 -0.610) 6.477 24.733 ( 0.000 -4.644 2.688) 5.366 24.733 ( 0.000 4.644 2.688) 5.366 25.045 ( 0.000 -1.356 -1.359) 1.920 25.045 ( 0.000 1.356 -1.359) 1.920 25.536 ( 0.000 -0.540 -9.857) 9.871 25.536 ( 0.000 0.540 -9.857) 9.871 26.564 ( 0.000 -1.843 -2.122) 2.811 26.564 ( 0.000 1.843 -2.122) 2.811 27.791 ( 0.000 -12.683 -2.281) 12.887 27.791 ( 0.000 12.683 -2.281) 12.887 29.244 ( 0.000 -1.223 11.377) 11.443 29.244 ( 0.000 1.223 11.377) 11.443 30.177 ( 0.000 -9.173 9.099) 12.920 30.177 ( 0.000 9.173 9.099) 12.920 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.817 ( 10.968 -15.604 11.373) 22.206 3.817 ( 10.968 15.604 11.373) 22.206 4.418 ( 5.429 -18.203 17.919) 26.113 4.418 ( 5.429 18.203 17.919) 26.113 4.751 ( -9.776 -4.681 0.096) 10.840 4.751 ( -9.776 4.681 0.096) 10.840 5.041 ( -4.893 -12.442 12.187) 18.090 5.041 ( -4.893 12.442 12.187) 18.090 5.354 ( -0.876 -7.797 0.001) 7.847 5.354 ( -0.876 7.797 0.001) 7.847 5.552 ( -3.001 -4.879 5.833) 8.176 5.552 ( -3.001 4.879 5.833) 8.176 5.862 ( -5.363 -9.034 -4.657) 11.492 5.862 ( -5.363 9.034 -4.657) 11.492 6.182 ( -6.354 -2.034 0.808) 6.721 6.182 ( -6.354 2.034 0.808) 6.721 6.487 ( 9.021 -3.464 1.018) 9.717 6.487 ( 9.021 3.464 1.018) 9.717 6.799 ( -2.952 -2.921 -5.419) 6.827 6.799 ( -2.952 2.921 -5.419) 6.827 7.078 ( 6.335 -2.078 -3.453) 7.509 7.078 ( 6.335 2.078 -3.453) 7.509 7.679 ( 1.743 -9.693 -6.553) 11.829 7.679 ( 1.743 9.693 -6.553) 11.829 7.822 ( -1.999 -9.908 -4.522) 11.073 7.822 ( -1.999 9.908 -4.522) 11.073 8.076 ( 2.858 -1.877 2.069) 3.996 8.076 ( 2.858 1.877 2.069) 3.996 8.596 ( 0.396 -2.872 -7.200) 7.762 8.596 ( 0.396 2.872 -7.200) 7.762 8.766 ( -1.201 -4.783 -12.228) 13.185 8.766 ( -1.201 4.783 -12.228) 13.185 9.224 ( 1.686 -7.521 -4.096) 8.728 9.224 ( 1.686 7.521 -4.096) 8.728 9.499 ( 3.583 -6.003 -4.827) 8.496 9.499 ( 3.583 6.003 -4.827) 8.496 9.583 ( 5.114 -1.698 -5.599) 7.771 9.583 ( 5.114 1.698 -5.599) 7.771 10.121 ( -1.297 -5.214 4.882) 7.260 10.121 ( -1.297 5.214 4.882) 7.260 10.410 ( 0.985 -3.107 -0.099) 3.261 10.410 ( 0.985 3.107 -0.099) 3.261 10.800 ( -7.411 -11.208 -3.602) 13.911 10.800 ( -7.411 11.208 -3.602) 13.911 11.136 ( 4.188 -8.350 -12.248) 15.404 11.136 ( 4.188 8.350 -12.248) 15.404 11.636 ( -6.728 -4.385 -10.853) 13.501 11.636 ( -6.728 4.385 -10.853) 13.501 13.160 ( 2.617 -1.682 8.675) 9.216 13.160 ( 2.617 1.682 8.675) 9.216 13.355 ( 0.086 -1.659 2.074) 2.657 13.355 ( 0.086 1.659 2.074) 2.657 13.426 ( 0.004 -1.338 5.677) 5.832 13.426 ( 0.004 1.338 5.677) 5.832 13.749 ( -7.476 -3.632 2.474) 8.672 13.749 ( -7.476 3.632 2.474) 8.672 14.816 ( 14.276 -8.249 6.286) 17.645 14.816 ( 14.276 8.249 6.286) 17.645 15.698 ( -7.722 -0.905 -3.349) 8.466 15.698 ( -7.722 0.905 -3.349) 8.466 15.934 ( 3.151 -3.508 -1.410) 4.922 15.934 ( 3.151 3.508 -1.410) 4.922 16.364 ( -5.963 -3.076 -2.289) 7.089 16.364 ( -5.963 3.076 -2.289) 7.089 17.760 ( 3.964 -5.259 -4.257) 7.842 17.760 ( 3.964 5.259 -4.257) 7.842 18.003 ( -2.200 -10.685 -6.642) 12.772 18.003 ( -2.200 10.685 -6.642) 12.772 24.498 ( 0.887 -6.293 -0.498) 6.375 24.498 ( 0.887 6.293 -0.498) 6.375 24.680 ( -4.501 -5.162 1.613) 7.036 24.680 ( -4.501 5.162 1.613) 7.036 25.105 ( 5.392 -2.365 -0.705) 5.930 25.105 ( 5.392 2.365 -0.705) 5.930 25.479 ( -5.290 -1.227 -7.399) 9.178 25.479 ( -5.290 1.227 -7.399) 9.178 26.685 ( 11.718 -4.008 -3.448) 12.856 26.685 ( 11.718 4.008 -3.448) 12.856 27.645 ( -13.736 -11.731 -2.627) 18.254 27.645 ( -13.736 11.731 -2.627) 18.254 29.381 ( 12.628 -4.044 10.759) 17.076 29.381 ( 12.628 4.044 10.759) 17.076 30.113 ( -6.575 -8.891 9.156) 14.357 30.113 ( -6.575 8.891 9.156) 14.357 ======================= Grid point 159 (60/90) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.112 ( 18.631 -13.271 7.733) 24.146 4.112 ( 18.631 13.271 7.733) 24.146 4.460 ( -13.908 -9.289 7.501) 18.330 4.460 ( -13.908 9.289 7.501) 18.330 4.606 ( 7.877 -20.144 10.960) 24.248 4.606 ( 7.877 20.144 10.960) 24.248 4.848 ( -14.003 -15.552 10.800) 23.549 4.848 ( -14.003 15.552 10.800) 23.549 5.358 ( 1.825 -11.909 0.576) 12.062 5.358 ( 1.825 11.909 0.576) 12.062 5.431 ( -6.009 -12.074 0.710) 13.505 5.431 ( -6.009 12.074 0.710) 13.505 5.898 ( 6.793 -3.276 0.249) 7.546 5.898 ( 6.793 3.276 0.249) 7.546 6.047 ( -7.772 -1.648 0.890) 7.995 6.047 ( -7.772 1.648 0.890) 7.995 6.631 ( 6.039 -3.122 -1.493) 6.961 6.631 ( 6.039 3.122 -1.493) 6.961 6.737 ( -4.707 -3.164 -4.637) 7.326 6.737 ( -4.707 3.164 -4.637) 7.326 7.280 ( 15.466 -2.824 1.655) 15.808 7.280 ( 15.466 2.824 1.655) 15.808 7.580 ( -12.935 -5.929 -0.829) 14.253 7.580 ( -12.935 5.929 -0.829) 14.253 7.883 ( 7.984 -5.285 -8.039) 12.502 7.883 ( 7.984 5.285 -8.039) 12.502 8.037 ( -6.542 -6.120 -5.035) 10.276 8.037 ( -6.542 6.120 -5.035) 10.276 8.625 ( 2.797 -3.774 -7.119) 8.529 8.625 ( 2.797 3.774 -7.119) 8.529 8.696 ( -4.431 -3.567 -9.102) 10.734 8.696 ( -4.431 3.567 -9.102) 10.734 9.380 ( 9.603 -1.842 0.618) 9.798 9.380 ( 9.603 1.842 0.618) 9.798 9.495 ( -2.810 -1.769 -1.396) 3.602 9.495 ( -2.810 1.769 -1.396) 3.602 9.749 ( 11.971 -10.551 -5.775) 16.970 9.749 ( 11.971 10.551 -5.775) 16.970 10.001 ( -11.472 -10.190 0.779) 15.364 10.001 ( -11.472 10.190 0.779) 15.364 10.480 ( 6.276 -6.763 0.156) 9.228 10.480 ( 6.276 6.763 0.156) 9.228 10.631 ( -9.058 -6.383 -1.855) 11.236 10.631 ( -9.058 6.383 -1.855) 11.236 11.266 ( 9.204 -10.609 -14.962) 20.522 11.266 ( 9.204 10.609 -14.962) 20.522 11.464 ( -10.518 -8.805 -13.815) 19.468 11.464 ( -10.518 8.805 -13.815) 19.468 13.226 ( 4.022 -3.352 8.043) 9.597 13.226 ( 4.022 3.352 8.043) 9.597 13.307 ( -4.141 -4.980 8.307) 10.533 13.307 ( -4.141 4.980 8.307) 10.533 13.483 ( 5.226 -7.442 0.630) 9.115 13.483 ( 5.226 7.442 0.630) 9.115 13.604 ( -7.137 -6.344 1.618) 9.685 13.604 ( -7.137 6.344 1.618) 9.685 15.136 ( 17.851 -4.371 3.762) 18.759 15.136 ( 17.851 4.371 3.762) 18.759 15.465 ( -15.548 -1.895 0.619) 15.675 15.465 ( -15.548 1.895 0.619) 15.675 16.049 ( 8.024 -2.985 -2.424) 8.898 16.049 ( 8.024 2.985 -2.424) 8.898 16.216 ( -8.846 -0.546 -1.936) 9.071 16.216 ( -8.846 0.546 -1.936) 9.071 17.851 ( 5.105 -8.094 -4.921) 10.761 17.851 ( 5.105 8.094 -4.921) 10.761 17.942 ( -4.103 -9.864 -5.775) 12.145 17.942 ( -4.103 9.864 -5.775) 12.145 24.528 ( 2.422 -5.935 -0.161) 6.412 24.528 ( 2.422 5.935 -0.161) 6.412 24.592 ( -4.180 -5.566 0.473) 6.977 24.592 ( -4.180 5.566 0.473) 6.977 25.225 ( 6.771 -2.312 -1.079) 7.236 25.225 ( 6.771 2.312 -1.079) 7.236 25.358 ( -6.901 -1.871 -3.476) 7.950 25.358 ( -6.901 1.871 -3.476) 7.950 26.974 ( 17.484 -7.067 -4.525) 19.394 26.974 ( 17.484 7.067 -4.525) 19.394 27.325 ( -18.363 -9.719 -3.804) 21.122 27.325 ( -18.363 9.719 -3.804) 21.122 29.662 ( 15.274 -6.463 9.904) 19.317 29.662 ( 15.274 6.463 9.904) 19.317 29.931 ( -12.186 -8.012 9.383) 17.342 29.931 ( -12.186 8.012 9.383) 17.342 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 0.000 0.000 29.784) 29.784 3.486 ( 0.000 0.000 38.110) 38.110 3.867 ( 0.000 0.000 -4.508) 4.508 4.178 ( 0.000 0.000 4.626) 4.626 4.330 ( 0.000 0.000 -5.925) 5.925 4.536 ( 0.000 0.000 4.131) 4.131 4.610 ( 0.000 0.000 4.611) 4.611 4.979 ( 0.000 0.000 -13.001) 13.001 4.988 ( 0.000 0.000 11.144) 11.144 5.203 ( 0.000 0.000 -0.960) 0.960 5.237 ( 0.000 0.000 1.585) 1.585 5.254 ( 0.000 0.000 -4.533) 4.533 5.409 ( 0.000 0.000 -9.070) 9.070 5.754 ( 0.000 0.000 -7.461) 7.461 6.059 ( 0.000 0.000 -3.756) 3.756 6.174 ( 0.000 0.000 -11.257) 11.257 6.601 ( 0.000 0.000 24.443) 24.443 6.776 ( 0.000 0.000 11.205) 11.205 6.813 ( 0.000 0.000 1.191) 1.191 7.011 ( 0.000 0.000 9.835) 9.835 7.084 ( 0.000 0.000 6.135) 6.135 7.358 ( 0.000 0.000 -1.899) 1.899 7.497 ( 0.000 0.000 -1.918) 1.918 7.526 ( 0.000 0.000 -7.541) 7.541 7.537 ( 0.000 0.000 -8.438) 8.438 7.663 ( 0.000 0.000 -18.003) 18.003 7.936 ( 0.000 0.000 3.179) 3.179 7.966 ( 0.000 0.000 0.455) 0.455 8.023 ( 0.000 0.000 -1.522) 1.522 8.095 ( 0.000 0.000 -6.668) 6.668 8.644 ( 0.000 0.000 6.384) 6.384 8.692 ( 0.000 0.000 -2.623) 2.623 9.029 ( 0.000 0.000 -10.293) 10.293 9.128 ( 0.000 0.000 -10.005) 10.005 9.295 ( 0.000 0.000 9.107) 9.107 9.518 ( 0.000 0.000 -1.467) 1.467 9.549 ( 0.000 0.000 9.144) 9.144 9.977 ( 0.000 0.000 1.776) 1.776 10.003 ( 0.000 0.000 -12.331) 12.331 10.014 ( 0.000 0.000 -0.195) 0.195 10.433 ( 0.000 0.000 2.254) 2.254 10.544 ( 0.000 0.000 10.575) 10.575 10.717 ( 0.000 0.000 -9.439) 9.439 11.000 ( 0.000 0.000 -14.986) 14.986 11.382 ( 0.000 0.000 2.835) 2.835 11.659 ( 0.000 0.000 -13.261) 13.261 12.026 ( 0.000 0.000 -4.174) 4.174 12.143 ( 0.000 0.000 -9.691) 9.691 12.760 ( 0.000 0.000 11.038) 11.038 13.250 ( 0.000 0.000 -4.349) 4.349 13.439 ( 0.000 0.000 -0.642) 0.642 13.504 ( 0.000 0.000 2.576) 2.576 13.548 ( 0.000 0.000 1.271) 1.271 13.585 ( 0.000 0.000 6.339) 6.339 13.661 ( 0.000 0.000 3.073) 3.073 13.738 ( 0.000 0.000 -7.932) 7.932 14.470 ( 0.000 0.000 12.041) 12.041 14.813 ( 0.000 0.000 -4.197) 4.197 15.588 ( 0.000 0.000 3.517) 3.517 15.697 ( 0.000 0.000 -1.946) 1.946 15.831 ( 0.000 0.000 -0.332) 0.332 15.929 ( 0.000 0.000 -7.964) 7.964 16.364 ( 0.000 0.000 4.236) 4.236 16.567 ( 0.000 0.000 -5.132) 5.132 17.255 ( 0.000 0.000 8.318) 8.318 17.728 ( 0.000 0.000 -12.855) 12.855 18.967 ( 0.000 0.000 -1.605) 1.605 19.010 ( 0.000 0.000 -2.705) 2.705 23.847 ( 0.000 0.000 1.562) 1.562 23.929 ( 0.000 0.000 -2.360) 2.360 24.106 ( 0.000 0.000 2.483) 2.483 24.204 ( 0.000 0.000 -2.107) 2.107 24.809 ( 0.000 0.000 0.727) 0.727 24.850 ( 0.000 0.000 -1.235) 1.235 25.213 ( 0.000 0.000 4.229) 4.229 25.344 ( 0.000 0.000 -1.925) 1.925 26.615 ( 0.000 0.000 1.241) 1.241 26.655 ( 0.000 0.000 -0.412) 0.412 27.613 ( 0.000 0.000 11.498) 11.498 28.199 ( 0.000 0.000 -14.887) 14.887 29.501 ( 0.000 0.000 5.403) 5.403 29.542 ( 0.000 0.000 2.063) 2.063 30.362 ( 0.000 0.000 16.083) 16.083 30.958 ( 0.000 0.000 -12.857) 12.857 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 7.527 0.000 27.651) 28.657 3.617 ( 12.797 0.000 33.759) 36.103 3.786 ( -7.579 0.000 2.647) 8.028 4.222 ( 3.476 0.000 -0.174) 3.481 4.322 ( -0.744 0.000 -5.773) 5.821 4.458 ( -7.918 0.000 6.079) 9.982 4.598 ( -0.590 0.000 3.282) 3.335 4.838 ( -15.246 0.000 -3.507) 15.644 4.884 ( -7.742 0.000 -8.661) 11.617 4.899 ( -8.471 0.000 4.272) 9.487 5.304 ( 5.159 0.000 -2.392) 5.687 5.440 ( 2.242 0.000 -8.940) 9.217 5.729 ( 24.858 0.000 -3.543) 25.109 5.792 ( 5.188 0.000 2.122) 5.605 6.068 ( 1.552 0.000 -3.817) 4.120 6.196 ( 1.464 0.000 -11.061) 11.158 6.574 ( -2.152 0.000 15.351) 15.501 6.752 ( 2.335 0.000 18.993) 19.136 6.867 ( 0.972 0.000 2.445) 2.631 7.076 ( -0.462 0.000 4.757) 4.780 7.134 ( 10.066 0.000 1.936) 10.250 7.326 ( -4.954 0.000 -5.673) 7.531 7.426 ( -8.865 0.000 -5.611) 10.491 7.441 ( -1.199 0.000 1.167) 1.673 7.553 ( -0.583 0.000 -5.566) 5.597 7.641 ( -2.276 0.000 -16.307) 16.465 7.781 ( -9.588 0.000 7.475) 12.157 7.941 ( -14.697 0.000 -5.061) 15.544 7.985 ( 1.802 0.000 -0.208) 1.814 8.033 ( 0.758 0.000 -1.893) 2.039 8.581 ( -6.428 0.000 -1.093) 6.521 8.647 ( -7.460 0.000 -1.454) 7.601 9.187 ( 13.042 0.000 -3.973) 13.633 9.267 ( 15.494 0.000 -4.148) 16.040 9.314 ( 1.964 0.000 8.626) 8.847 9.491 ( -2.557 0.000 0.512) 2.607 9.756 ( 17.537 0.000 4.481) 18.101 9.989 ( 1.036 0.000 1.336) 1.690 10.020 ( 0.472 0.000 -0.139) 0.492 10.094 ( 10.099 0.000 -9.883) 14.130 10.460 ( 2.745 0.000 0.722) 2.838 10.600 ( 4.289 0.000 6.051) 7.416 10.691 ( -2.625 0.000 -8.661) 9.051 10.978 ( -1.761 0.000 -12.896) 13.015 11.200 ( -17.387 0.000 0.866) 17.408 11.579 ( -8.413 0.000 -15.601) 17.725 11.900 ( -8.424 0.000 -2.868) 8.899 12.072 ( -8.335 0.000 -13.023) 15.461 12.796 ( 3.748 0.000 10.117) 10.789 13.186 ( -6.216 0.000 -0.361) 6.227 13.413 ( -0.789 0.000 -2.340) 2.470 13.489 ( -1.711 0.000 -0.381) 1.753 13.611 ( 4.623 0.000 1.237) 4.786 13.630 ( 11.103 0.000 12.827) 16.965 13.742 ( 0.106 0.000 -6.378) 6.379 13.975 ( 21.786 0.000 -3.316) 22.037 14.415 ( -5.757 0.000 12.791) 14.026 14.790 ( -2.906 0.000 -4.909) 5.704 15.599 ( 1.115 0.000 2.930) 3.135 15.687 ( -0.985 0.000 -1.482) 1.780 15.851 ( 2.568 0.000 0.342) 2.590 15.953 ( 2.300 0.000 -7.260) 7.616 16.304 ( -5.745 0.000 3.436) 6.694 16.457 ( -10.285 0.000 -3.479) 10.858 17.326 ( 6.471 0.000 6.479) 9.156 17.699 ( -3.046 0.000 -9.893) 10.351 18.944 ( -1.658 0.000 -1.515) 2.246 18.996 ( -1.566 0.000 -3.485) 3.821 23.852 ( 0.573 0.000 1.342) 1.459 23.917 ( -1.108 0.000 -1.613) 1.957 24.119 ( 1.246 0.000 1.674) 2.087 24.197 ( -0.736 0.000 -1.822) 1.965 24.812 ( 0.356 0.000 0.579) 0.680 24.848 ( -0.306 0.000 -1.112) 1.154 25.218 ( 0.630 0.000 3.730) 3.783 25.326 ( -1.741 0.000 -1.371) 2.216 26.652 ( 5.568 0.000 3.654) 6.660 26.794 ( 11.490 0.000 -2.155) 11.690 27.515 ( -8.617 0.000 9.158) 12.574 28.053 ( -14.220 0.000 -14.606) 20.385 29.508 ( 3.675 0.000 8.288) 9.067 29.650 ( 5.925 0.000 1.901) 6.223 30.409 ( 5.219 0.000 11.978) 13.066 30.907 ( -5.229 0.000 -11.320) 12.469 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( 11.691 0.000 21.817) 24.752 3.600 ( -11.343 0.000 13.176) 17.386 3.923 ( 17.551 0.000 24.175) 29.874 4.240 ( -14.520 0.000 14.044) 20.201 4.278 ( 2.006 0.000 -4.156) 4.615 4.305 ( -1.077 0.000 -5.290) 5.398 4.622 ( 3.652 0.000 -0.406) 3.675 4.664 ( -2.659 0.000 -6.705) 7.213 4.723 ( -7.837 0.000 -4.796) 9.188 4.732 ( -7.362 0.000 -4.580) 8.670 5.399 ( 4.293 0.000 -5.388) 6.889 5.455 ( -1.165 0.000 -7.683) 7.770 5.933 ( 9.156 0.000 11.686) 14.846 6.041 ( 2.494 0.000 5.976) 6.475 6.129 ( 4.271 0.000 -5.736) 7.151 6.196 ( -1.929 0.000 -9.224) 9.424 6.628 ( 9.776 0.000 4.911) 10.940 6.807 ( -5.997 0.000 3.944) 7.178 6.890 ( 11.380 0.000 11.726) 16.340 7.093 ( 2.908 0.000 0.928) 3.053 7.166 ( -11.532 0.000 -2.678) 11.839 7.193 ( -7.101 0.000 -3.709) 8.011 7.396 ( 8.577 0.000 -4.165) 9.535 7.464 ( 2.517 0.000 0.560) 2.578 7.517 ( -2.673 0.000 -2.332) 3.548 7.570 ( -6.697 0.000 -12.581) 14.252 7.639 ( -5.496 0.000 5.805) 7.994 7.657 ( -8.583 0.000 9.436) 12.755 8.022 ( 1.633 0.000 -1.441) 2.178 8.040 ( -0.241 0.000 -2.080) 2.094 8.470 ( -2.997 0.000 -5.932) 6.646 8.499 ( -5.705 0.000 -5.775) 8.118 9.365 ( 3.190 0.000 7.048) 7.736 9.431 ( -3.484 0.000 4.169) 5.433 9.432 ( 9.599 0.000 3.192) 10.116 9.492 ( 4.535 0.000 2.357) 5.110 10.010 ( 1.030 0.000 0.781) 1.292 10.023 ( -0.237 0.000 0.248) 0.342 10.143 ( 23.007 0.000 2.558) 23.148 10.388 ( 16.877 0.000 -3.589) 17.254 10.532 ( 4.550 0.000 -2.875) 5.382 10.573 ( -11.080 0.000 -4.789) 12.071 10.622 ( -4.415 0.000 -6.387) 7.764 10.751 ( -20.772 0.000 4.044) 21.162 11.075 ( 9.700 0.000 -16.805) 19.403 11.345 ( -15.209 0.000 -18.716) 24.116 11.806 ( -0.269 0.000 -6.327) 6.333 11.891 ( -8.354 0.000 -11.861) 14.508 12.898 ( 6.691 0.000 7.680) 10.186 13.043 ( -8.000 0.000 4.279) 9.073 13.419 ( 1.169 0.000 -3.450) 3.643 13.451 ( -2.020 0.000 -2.472) 3.192 13.689 ( 3.267 0.000 -0.779) 3.359 13.733 ( -1.256 0.000 -3.473) 3.693 13.928 ( 17.109 0.000 14.089) 22.163 14.213 ( -10.335 0.000 10.184) 14.509 14.405 ( 16.453 0.000 -2.462) 16.636 14.674 ( -9.884 0.000 -5.691) 11.406 15.628 ( 1.738 0.000 1.466) 2.274 15.661 ( -1.657 0.000 -0.215) 1.671 15.945 ( 6.896 0.000 -0.529) 6.916 16.008 ( 2.435 0.000 -5.601) 6.107 16.182 ( -5.270 0.000 2.115) 5.678 16.236 ( -10.572 0.000 -0.245) 10.575 17.469 ( 7.833 0.000 2.585) 8.248 17.609 ( -6.298 0.000 -3.326) 7.122 18.929 ( 0.381 0.000 -2.689) 2.716 18.957 ( -2.195 0.000 -3.802) 4.390 23.868 ( 1.079 0.000 0.698) 1.285 23.892 ( -1.365 0.000 -0.333) 1.405 24.148 ( 1.601 0.000 0.229) 1.617 24.176 ( -1.330 0.000 -1.009) 1.670 24.823 ( 0.716 0.000 0.126) 0.727 24.838 ( -0.739 0.000 -0.570) 0.933 25.241 ( 1.813 0.000 2.142) 2.807 25.284 ( -2.455 0.000 0.137) 2.459 26.816 ( 10.472 0.000 6.560) 12.357 26.962 ( 0.146 0.000 3.885) 3.888 27.428 ( 5.608 0.000 -3.536) 6.630 27.714 ( -19.206 0.000 -12.605) 22.972 29.614 ( 6.099 0.000 9.180) 11.021 29.696 ( -1.450 0.000 6.296) 6.461 30.563 ( 10.217 0.000 1.856) 10.384 30.762 ( -9.576 0.000 -6.576) 11.617 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 0.000 16.280 25.784) 30.494 3.485 ( 0.000 1.512 32.888) 32.923 4.061 ( 0.000 16.169 -2.524) 16.365 4.234 ( 0.000 4.507 3.893) 5.956 4.459 ( 0.000 11.331 -5.338) 12.525 4.570 ( 0.000 3.422 4.193) 5.412 4.820 ( 0.000 18.036 5.817) 18.951 5.027 ( 0.000 4.009 11.813) 12.475 5.094 ( 0.000 -4.292 0.770) 4.361 5.106 ( 0.000 6.570 -8.249) 10.545 5.233 ( 0.000 5.301 -6.470) 8.364 5.438 ( 0.000 12.857 -1.102) 12.904 5.560 ( 0.000 10.371 -8.831) 13.621 5.665 ( 0.000 -7.648 -4.014) 8.638 6.057 ( 0.000 0.414 -6.439) 6.452 6.157 ( 0.000 -1.315 -8.459) 8.561 6.560 ( 0.000 -6.409 8.558) 10.692 6.642 ( 0.000 -4.592 18.974) 19.522 6.688 ( 0.000 -10.824 1.870) 10.984 6.945 ( 0.000 -4.238 7.946) 9.005 7.197 ( 0.000 2.377 3.286) 4.056 7.276 ( 0.000 -9.288 -4.487) 10.315 7.453 ( 0.000 0.710 -2.669) 2.762 7.512 ( 0.000 1.928 -2.640) 3.269 7.639 ( 0.000 6.364 -2.560) 6.859 7.736 ( 0.000 4.311 -11.434) 12.220 7.942 ( 0.000 2.309 -1.236) 2.619 8.055 ( 0.000 2.838 -2.557) 3.820 8.132 ( 0.000 11.821 0.718) 11.843 8.156 ( 0.000 5.780 -4.611) 7.394 8.629 ( 0.000 -1.783 4.739) 5.063 8.644 ( 0.000 -3.960 -3.363) 5.195 8.976 ( 0.000 -4.608 -8.004) 9.235 9.104 ( 0.000 -2.007 -10.377) 10.569 9.240 ( 0.000 -1.326 7.765) 7.878 9.555 ( 0.000 2.942 -3.616) 4.662 9.647 ( 0.000 5.345 7.373) 9.106 9.974 ( 0.000 -1.754 -3.921) 4.295 10.002 ( 0.000 1.779 2.359) 2.955 10.072 ( 0.000 4.342 -6.488) 7.807 10.244 ( 0.000 -11.817 2.027) 11.990 10.489 ( 0.000 -17.512 -9.387) 19.870 10.592 ( 0.000 0.730 6.663) 6.703 11.007 ( 0.000 -1.994 -14.719) 14.853 11.432 ( 0.000 3.959 1.185) 4.133 11.649 ( 0.000 -0.916 -11.478) 11.514 11.953 ( 0.000 -7.147 -2.952) 7.733 12.026 ( 0.000 -10.813 -5.215) 12.005 12.835 ( 0.000 6.073 6.874) 9.173 13.260 ( 0.000 -1.777 -4.410) 4.755 13.331 ( 0.000 -9.181 6.480) 11.238 13.370 ( 0.000 -4.391 -1.370) 4.599 13.513 ( 0.000 0.393 0.478) 0.618 13.566 ( 0.000 -0.696 -0.995) 1.215 13.802 ( 0.000 10.277 2.547) 10.588 13.852 ( 0.000 4.185 -1.375) 4.405 14.539 ( 0.000 5.359 12.448) 13.553 14.891 ( 0.000 5.947 -4.650) 7.549 15.555 ( 0.000 -2.674 3.421) 4.342 15.680 ( 0.000 -1.305 -2.003) 2.390 15.861 ( 0.000 2.761 -0.661) 2.839 15.921 ( 0.000 -0.794 -7.117) 7.161 16.350 ( 0.000 -1.264 3.829) 4.032 16.540 ( 0.000 -2.463 -4.986) 5.561 17.301 ( 0.000 4.290 7.074) 8.274 17.724 ( 0.000 -0.374 -11.768) 11.774 18.796 ( 0.000 -18.509 -0.055) 18.509 18.825 ( 0.000 -12.600 -2.711) 12.888 24.046 ( 0.000 15.589 -0.144) 15.590 24.072 ( 0.000 11.816 -1.558) 11.918 24.164 ( 0.000 6.723 -0.642) 6.754 24.208 ( 0.000 1.735 -1.773) 2.481 24.867 ( 0.000 5.047 1.637) 5.306 24.945 ( 0.000 7.941 -2.086) 8.210 25.186 ( 0.000 -2.309 4.204) 4.797 25.316 ( 0.000 -2.610 -1.883) 3.218 26.601 ( 0.000 -1.289 1.142) 1.722 26.638 ( 0.000 -1.468 -0.505) 1.552 27.608 ( 0.000 -0.375 10.756) 10.762 28.163 ( 0.000 -3.457 -14.449) 14.857 29.496 ( 0.000 -0.481 5.329) 5.350 29.519 ( 0.000 -2.000 3.177) 3.754 30.338 ( 0.000 -2.061 15.339) 15.477 30.876 ( 0.000 -7.293 -10.589) 12.857 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.362 ( 7.052 15.726 24.201) 29.710 3.606 ( 11.665 1.118 27.919) 30.278 3.967 ( -7.858 14.281 5.075) 17.072 4.283 ( 3.066 5.353 -1.110) 6.268 4.439 ( -2.400 9.669 -3.558) 10.579 4.489 ( -7.556 3.679 4.864) 9.710 4.808 ( -12.242 0.432 -2.807) 12.567 4.822 ( 0.125 19.029 5.224) 19.734 4.923 ( -9.422 2.495 2.740) 10.124 5.097 ( -7.460 16.701 -6.401) 19.379 5.369 ( 9.240 3.683 -2.078) 10.162 5.560 ( 3.805 9.485 -7.372) 12.601 5.656 ( 11.104 -3.205 -3.415) 12.051 5.744 ( 7.131 -3.122 0.487) 7.800 6.064 ( 1.700 -2.432 -1.913) 3.530 6.200 ( 4.066 0.642 -8.882) 9.790 6.499 ( -4.103 -6.699 8.056) 11.252 6.669 ( -0.423 -12.404 6.480) 14.001 6.689 ( 3.325 -4.181 11.313) 12.511 7.032 ( 5.144 -5.438 2.779) 7.984 7.164 ( -1.732 -0.001 1.803) 2.500 7.272 ( 0.489 -7.068 -3.788) 8.034 7.399 ( -4.389 2.249 0.100) 4.933 7.499 ( -1.674 0.479 -4.265) 4.607 7.632 ( 0.093 9.138 -0.582) 9.157 7.763 ( -1.371 7.517 -9.739) 12.379 7.813 ( -6.141 4.184 3.942) 8.412 7.983 ( -12.571 4.993 -7.395) 15.415 8.075 ( -1.494 3.611 1.675) 4.251 8.119 ( -0.949 10.409 -0.631) 10.471 8.561 ( -5.171 -1.354 -1.564) 5.569 8.632 ( -4.979 -1.389 -1.950) 5.525 9.122 ( 5.412 -4.078 -2.852) 7.352 9.182 ( 13.465 -5.709 -2.903) 14.911 9.343 ( 8.806 0.543 3.612) 9.533 9.550 ( 1.509 4.223 -0.809) 4.557 9.775 ( 11.455 0.748 5.415) 12.692 9.981 ( 1.511 -1.004 0.083) 1.816 10.051 ( 2.080 3.376 -0.225) 3.972 10.148 ( 9.937 4.750 -7.715) 13.447 10.281 ( 3.717 -12.719 -0.612) 13.265 10.462 ( -2.402 -15.902 -8.337) 18.115 10.638 ( 4.005 -0.833 4.134) 5.816 10.988 ( -1.476 -2.035 -14.393) 14.611 11.235 ( -19.206 3.139 0.896) 19.482 11.557 ( -10.012 -2.325 -13.562) 17.017 11.864 ( -6.665 -4.090 -2.706) 8.275 11.956 ( -6.563 -10.311 -8.859) 15.096 12.855 ( 2.454 4.927 7.038) 8.935 13.213 ( -5.429 0.719 -2.868) 6.182 13.365 ( 3.230 -6.387 3.687) 8.051 13.417 ( 3.574 -6.951 0.742) 7.851 13.486 ( -2.490 0.082 1.026) 2.694 13.541 ( 0.482 -5.511 -1.682) 5.782 13.855 ( 7.305 7.109 5.105) 11.400 14.080 ( 15.863 4.364 -3.234) 16.767 14.517 ( -1.480 8.530 12.173) 14.938 14.881 ( -1.552 7.262 -5.304) 9.126 15.566 ( 1.017 -2.739 2.817) 4.059 15.662 ( -1.637 -2.034 -1.469) 2.996 15.873 ( 1.925 1.916 0.110) 2.718 15.949 ( 2.590 -0.315 -6.538) 7.039 16.292 ( -5.463 -0.978 3.075) 6.345 16.437 ( -9.669 -1.734 -3.555) 10.447 17.361 ( 5.454 3.241 5.584) 8.452 17.694 ( -3.160 -0.560 -8.923) 9.482 18.779 ( -1.047 -15.909 -0.726) 15.960 18.821 ( -0.740 -13.784 -3.141) 14.156 24.044 ( -0.087 15.108 -0.003) 15.108 24.068 ( -0.429 12.672 -1.352) 12.751 24.167 ( 0.356 5.502 -0.576) 5.543 24.204 ( -0.377 2.058 -1.755) 2.731 24.873 ( 0.663 5.308 1.392) 5.528 24.938 ( -0.704 7.652 -1.645) 7.859 25.193 ( 0.776 -2.167 3.576) 4.253 25.300 ( -1.574 -2.425 -1.400) 3.212 26.641 ( 5.769 -0.982 3.366) 6.751 26.776 ( 11.524 -1.639 -2.300) 11.865 27.505 ( -9.188 -0.853 8.688) 12.674 28.014 ( -14.384 -3.667 -14.022) 20.420 29.506 ( 4.362 -0.126 8.353) 9.424 29.644 ( 7.041 -0.512 2.058) 7.354 30.368 ( 3.691 -3.543 12.037) 13.079 30.826 ( -5.224 -7.329 -9.292) 12.936 ======================= Grid point 187 (66/90) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.544 ( 11.148 14.981 19.101) 26.713 3.751 ( -8.228 12.675 11.438) 18.952 3.927 ( 14.392 1.829 20.736) 25.307 4.229 ( -13.577 0.828 8.415) 15.995 4.359 ( 1.364 6.098 1.229) 6.368 4.406 ( -2.720 8.439 -2.766) 9.288 4.664 ( -2.071 1.900 -6.404) 6.993 4.727 ( -7.965 2.703 -4.653) 9.613 4.866 ( 3.413 19.123 0.239) 19.426 4.961 ( -6.290 18.617 -2.620) 19.825 5.511 ( 5.829 9.438 -4.592) 12.006 5.585 ( -1.347 11.453 -7.287) 13.641 5.832 ( 5.637 -11.416 -0.009) 12.732 5.848 ( 2.993 -8.037 2.627) 8.970 6.128 ( 4.630 -3.793 3.498) 6.933 6.230 ( -3.742 0.104 1.949) 4.220 6.488 ( 4.159 -11.341 0.534) 12.092 6.594 ( -5.550 -14.869 -0.398) 15.876 6.882 ( 14.278 1.150 5.579) 15.372 7.050 ( -2.717 -5.639 -3.397) 7.122 7.157 ( 1.834 0.549 1.129) 2.222 7.289 ( -7.951 6.053 2.157) 10.223 7.344 ( 6.227 -4.768 0.381) 7.852 7.461 ( -3.731 -2.356 -1.546) 4.675 7.649 ( 1.452 11.200 0.820) 11.323 7.685 ( -2.261 5.700 -2.592) 6.657 7.705 ( -10.352 7.122 2.229) 12.761 7.740 ( -4.859 8.676 0.440) 9.954 8.086 ( 1.455 4.655 -1.021) 4.983 8.106 ( -0.606 7.436 -1.673) 7.646 8.481 ( -1.932 1.251 -5.928) 6.359 8.512 ( -5.119 1.529 -5.731) 7.835 9.229 ( 4.582 -7.311 3.158) 9.188 9.288 ( -0.964 -7.761 1.496) 7.962 9.543 ( 9.086 4.788 5.396) 11.602 9.618 ( 1.825 5.961 4.049) 7.434 9.987 ( 5.501 -3.198 1.921) 6.647 10.012 ( 0.939 -0.090 1.047) 1.409 10.148 ( 12.256 -0.290 0.967) 12.297 10.337 ( -3.428 -13.306 -3.911) 14.286 10.386 ( 11.866 -3.493 -4.026) 13.008 10.489 ( 11.215 -1.879 -7.417) 13.576 10.677 ( -2.931 0.078 -0.942) 3.080 10.775 ( -25.121 2.538 -1.138) 25.274 11.017 ( 7.091 -5.489 -15.731) 18.107 11.280 ( -17.145 -5.935 -17.486) 25.198 11.779 ( -1.015 -3.275 -6.071) 6.972 11.829 ( -5.520 -5.994 -9.592) 12.586 12.938 ( 6.079 3.353 5.642) 8.946 13.076 ( -7.845 2.328 2.060) 8.438 13.411 ( 1.857 -1.421 -1.026) 2.554 13.446 ( -1.811 -0.813 -0.953) 2.203 13.497 ( 3.720 -10.683 1.755) 11.448 13.543 ( -0.981 -10.339 -1.372) 10.476 14.054 ( 11.723 5.253 9.243) 15.826 14.229 ( -3.702 -0.559 5.445) 6.608 14.594 ( 11.116 14.328 1.109) 18.168 14.798 ( -7.805 10.378 -5.097) 13.950 15.591 ( 1.629 -3.105 1.393) 3.772 15.626 ( -1.931 -2.978 -0.241) 3.557 15.955 ( 6.434 0.837 -0.518) 6.509 16.009 ( 2.777 0.075 -5.249) 5.939 16.175 ( -5.209 -0.522 1.805) 5.537 16.225 ( -10.384 -0.920 -0.351) 10.431 17.483 ( 6.788 1.358 2.230) 7.273 17.606 ( -5.758 -0.173 -2.934) 6.464 18.773 ( 0.584 -13.920 -2.361) 14.131 18.797 ( -1.577 -13.637 -3.435) 14.151 24.046 ( 0.349 14.405 -0.047) 14.409 24.056 ( -0.687 13.698 -0.620) 13.729 24.178 ( 0.757 3.737 -0.917) 3.922 24.193 ( -0.735 2.678 -1.457) 3.136 24.892 ( 1.253 6.020 0.661) 6.184 24.918 ( -1.329 6.907 -0.492) 7.051 25.218 ( 1.880 -1.986 1.853) 3.304 25.260 ( -2.337 -2.100 -0.052) 3.142 26.809 ( 10.697 -0.555 6.059) 12.307 26.953 ( 0.876 -0.659 3.100) 3.288 27.397 ( 4.357 -2.839 -3.030) 6.018 27.674 ( -19.129 -3.740 -12.027) 22.903 29.625 ( 6.572 1.031 9.093) 11.266 29.708 ( -1.014 1.180 6.079) 6.275 30.495 ( 9.153 -6.195 2.772) 11.395 30.682 ( -9.327 -7.221 -5.128) 12.862 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( 0.000 7.391 26.888) 27.885 3.696 ( 0.000 19.959 16.847) 26.119 4.319 ( 0.000 2.592 7.199) 7.651 4.455 ( 0.000 19.329 -5.271) 20.035 4.686 ( 0.000 7.673 1.428) 7.804 4.740 ( 0.000 13.413 -4.629) 14.189 5.012 ( 0.000 -2.911 6.665) 7.273 5.122 ( 0.000 0.092 -0.568) 0.576 5.142 ( 0.000 9.453 6.277) 11.348 5.277 ( 0.000 18.439 6.884) 19.682 5.437 ( 0.000 -10.929 -0.227) 10.932 5.559 ( 0.000 15.858 -5.140) 16.670 5.755 ( 0.000 17.054 0.688) 17.068 5.755 ( 0.000 6.418 -7.938) 10.208 6.134 ( 0.000 -0.825 -6.293) 6.347 6.144 ( 0.000 7.959 -4.493) 9.140 6.393 ( 0.000 -6.898 2.806) 7.447 6.448 ( 0.000 -8.623 -0.914) 8.672 6.617 ( 0.000 0.397 6.879) 6.891 6.844 ( 0.000 -6.013 3.596) 7.006 7.045 ( 0.000 -11.007 -1.357) 11.091 7.131 ( 0.000 -5.102 -0.085) 5.102 7.517 ( 0.000 2.317 0.528) 2.377 7.538 ( 0.000 0.263 0.865) 0.905 7.777 ( 0.000 6.170 3.022) 6.871 7.817 ( 0.000 3.431 -4.031) 5.294 8.018 ( 0.000 4.151 -1.720) 4.494 8.115 ( 0.000 1.624 1.714) 2.361 8.319 ( 0.000 9.175 -5.432) 10.663 8.361 ( 0.000 7.665 -2.250) 7.989 8.567 ( 0.000 -2.119 -5.746) 6.124 8.569 ( 0.000 -3.566 -1.334) 3.807 8.886 ( 0.000 -2.610 -3.592) 4.441 9.061 ( 0.000 -1.469 -11.294) 11.389 9.302 ( 0.000 6.331 2.810) 6.927 9.607 ( 0.000 0.449 -5.576) 5.594 9.663 ( 0.000 -5.927 5.355) 7.988 9.917 ( 0.000 -4.807 2.957) 5.643 9.943 ( 0.000 -0.172 -1.054) 1.067 10.050 ( 0.000 -17.752 -8.877) 19.848 10.217 ( 0.000 8.563 -3.097) 9.106 10.217 ( 0.000 4.359 -5.334) 6.888 10.558 ( 0.000 -3.592 3.818) 5.242 10.910 ( 0.000 -6.247 -13.249) 14.648 11.505 ( 0.000 2.042 -2.635) 3.333 11.617 ( 0.000 -2.874 -7.903) 8.409 11.713 ( 0.000 -17.566 -1.622) 17.641 11.718 ( 0.000 -15.072 -1.853) 15.186 12.968 ( 0.000 6.106 3.199) 6.893 13.156 ( 0.000 -3.538 1.583) 3.876 13.217 ( 0.000 -0.720 5.908) 5.952 13.357 ( 0.000 0.916 -7.242) 7.300 13.537 ( 0.000 1.429 3.110) 3.423 13.631 ( 0.000 4.445 -0.073) 4.446 13.890 ( 0.000 0.041 3.497) 3.498 13.965 ( 0.000 4.384 0.637) 4.430 14.636 ( 0.000 3.057 12.305) 12.680 14.983 ( 0.000 1.280 -4.402) 4.584 15.509 ( 0.000 -0.874 1.495) 1.732 15.660 ( 0.000 -0.371 -3.136) 3.157 15.902 ( 0.000 -0.623 -3.743) 3.795 15.941 ( 0.000 4.476 -1.142) 4.619 16.322 ( 0.000 -0.990 2.843) 3.010 16.477 ( 0.000 -3.121 -4.548) 5.516 17.424 ( 0.000 7.068 3.691) 7.974 17.708 ( 0.000 -1.279 -8.782) 8.875 18.343 ( 0.000 -22.072 2.922) 22.265 18.495 ( 0.000 -17.436 -5.265) 18.214 24.222 ( 0.000 4.377 0.723) 4.436 24.262 ( 0.000 8.024 0.397) 8.034 24.434 ( 0.000 16.259 -1.895) 16.369 24.494 ( 0.000 18.398 -7.682) 19.937 24.968 ( 0.000 2.075 3.027) 3.670 25.113 ( 0.000 4.881 -3.889) 6.241 25.157 ( 0.000 2.039 3.144) 3.747 25.256 ( 0.000 -0.716 -1.470) 1.635 26.568 ( 0.000 -1.656 0.866) 1.869 26.601 ( 0.000 -1.897 -0.810) 2.062 27.605 ( 0.000 0.346 8.349) 8.356 28.056 ( 0.000 -6.619 -12.541) 14.181 29.472 ( 0.000 -2.192 5.397) 5.825 29.481 ( 0.000 -0.933 5.366) 5.446 30.290 ( 0.000 -2.011 13.153) 13.306 30.683 ( 0.000 -10.297 -5.411) 11.632 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( 9.557 7.624 23.732) 26.696 3.768 ( 7.352 18.520 15.256) 25.096 4.242 ( -6.406 7.875 6.160) 11.875 4.479 ( 0.905 15.059 -2.862) 15.356 4.581 ( -9.880 6.754 4.776) 12.885 4.708 ( -3.331 12.865 -3.639) 13.779 4.843 ( -8.958 2.770 0.195) 9.379 4.999 ( -11.176 4.218 -1.202) 12.005 5.276 ( 8.185 -6.456 3.096) 10.875 5.285 ( 1.860 20.446 5.646) 21.292 5.521 ( -2.495 15.568 -1.403) 15.829 5.618 ( 12.065 -3.807 -0.316) 12.655 5.726 ( -1.065 3.792 -3.961) 5.586 5.823 ( 4.147 11.576 0.230) 12.299 6.077 ( -4.970 9.422 -1.967) 10.833 6.186 ( 3.496 -1.559 -4.245) 5.716 6.320 ( -9.436 -12.347 -2.103) 15.682 6.395 ( -0.280 -7.534 0.262) 7.543 6.707 ( 9.043 3.562 5.848) 11.343 6.897 ( 2.856 -6.948 -0.423) 7.524 7.092 ( 4.349 -7.143 0.315) 8.369 7.138 ( 1.852 -2.741 2.534) 4.167 7.414 ( -5.516 -0.924 2.007) 5.942 7.506 ( -2.549 1.038 -1.175) 2.992 7.795 ( -0.711 3.790 1.431) 4.113 7.879 ( -1.696 3.371 -5.613) 6.763 7.965 ( 0.480 9.217 2.973) 9.696 8.129 ( 2.257 2.975 2.212) 4.340 8.173 ( -12.791 10.093 -4.350) 16.864 8.342 ( -1.844 8.472 -3.996) 9.547 8.557 ( -1.417 1.033 -1.863) 2.559 8.590 ( 0.578 -2.104 -3.851) 4.426 9.054 ( 9.400 -4.054 -2.801) 10.613 9.099 ( 5.107 1.038 -8.656) 10.103 9.351 ( 6.784 1.099 3.222) 7.590 9.600 ( 2.478 -1.688 -1.780) 3.487 9.718 ( 4.925 -6.917 3.848) 9.322 9.976 ( 0.752 -6.610 1.304) 6.779 9.994 ( 5.983 -4.047 -3.107) 7.863 10.079 ( 3.726 -9.551 -6.381) 12.075 10.205 ( 1.029 3.523 -2.578) 4.486 10.311 ( 8.986 9.204 -6.885) 14.590 10.582 ( 2.293 -4.444 2.485) 5.584 10.884 ( -2.495 -6.906 -12.896) 14.840 11.286 ( -20.505 -0.189 -2.753) 20.690 11.465 ( -13.791 -6.929 -8.554) 17.646 11.671 ( -3.522 -14.702 -2.399) 15.307 11.722 ( -1.766 -9.504 -5.902) 11.326 12.972 ( 0.858 5.805 3.626) 6.898 13.149 ( -1.386 -3.483 -0.148) 3.751 13.253 ( 3.414 -0.982 5.414) 6.475 13.376 ( 1.903 1.073 -4.852) 5.321 13.520 ( -1.814 0.811 1.398) 2.430 13.525 ( -7.127 3.405 1.984) 8.144 13.943 ( 5.986 0.628 6.023) 8.515 14.094 ( 7.277 -3.096 0.043) 7.908 14.698 ( 6.912 7.384 9.913) 14.162 15.014 ( 2.641 3.798 -4.839) 6.694 15.516 ( 0.387 -1.098 1.116) 1.612 15.624 ( -3.303 -1.174 -1.981) 4.027 15.911 ( 1.148 0.800 -1.111) 1.787 15.957 ( 1.982 1.901 -3.040) 4.097 16.273 ( -4.751 -0.575 2.122) 5.235 16.393 ( -8.147 -2.182 -3.464) 9.117 17.458 ( 3.165 5.884 2.840) 7.259 17.675 ( -3.006 -1.071 -6.373) 7.127 18.367 ( 2.155 -20.623 1.140) 20.767 18.485 ( -0.979 -17.322 -4.944) 18.040 24.225 ( 0.270 4.585 0.685) 4.644 24.257 ( -0.503 7.509 0.382) 7.536 24.428 ( -0.426 16.033 -2.084) 16.173 24.479 ( -1.489 17.456 -6.522) 18.694 24.987 ( 1.918 3.436 2.714) 4.780 25.109 ( -0.699 6.398 -2.113) 6.775 25.161 ( 0.550 0.886 1.661) 1.961 25.244 ( -1.281 -1.035 -1.256) 2.071 26.619 ( 6.503 -0.905 2.490) 7.022 26.733 ( 11.591 -2.275 -2.645) 12.104 27.488 ( -10.769 -0.475 7.004) 12.855 27.903 ( -14.621 -6.750 -11.934) 20.044 29.506 ( 6.393 0.337 8.393) 10.556 29.630 ( 9.725 -0.858 2.601) 10.103 30.281 ( -0.321 -4.112 11.615) 12.326 30.629 ( -5.440 -10.521 -4.634) 12.719 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.900 ( 11.760 14.321 15.433) 24.116 3.976 ( 14.001 10.782 12.160) 21.451 4.103 ( -7.518 12.521 9.242) 17.283 4.305 ( -16.431 6.781 6.922) 19.075 4.518 ( 2.672 9.813 3.850) 10.875 4.616 ( -6.126 10.865 0.772) 12.497 4.746 ( -1.091 5.121 -7.137) 8.851 4.801 ( -7.316 4.204 -7.926) 11.576 5.329 ( 2.679 19.521 4.225) 20.151 5.368 ( -0.144 10.109 1.921) 10.291 5.530 ( 4.855 -1.910 -1.038) 5.320 5.640 ( -4.848 -7.535 -3.352) 9.567 5.857 ( 6.365 13.107 0.109) 14.571 5.888 ( 2.986 5.708 -1.898) 6.716 5.992 ( -0.696 -0.402 4.450) 4.522 6.116 ( -9.107 -12.071 7.420) 16.844 6.288 ( 4.777 -3.776 -6.483) 8.894 6.371 ( -3.138 -3.406 -5.584) 7.255 6.894 ( 6.057 -0.673 1.507) 6.278 6.925 ( 0.593 -4.855 -1.870) 5.236 7.206 ( 9.978 -0.939 2.433) 10.314 7.231 ( 5.929 -1.127 4.302) 7.412 7.341 ( -2.497 -1.867 4.937) 5.839 7.454 ( -5.638 4.270 -0.382) 7.083 7.770 ( -0.043 2.898 -2.240) 3.663 7.815 ( -3.716 4.792 -2.159) 6.436 7.887 ( -5.971 4.786 3.765) 8.528 7.934 ( -8.617 8.751 -2.685) 12.571 8.231 ( 5.964 9.061 -0.234) 10.850 8.310 ( -2.094 10.409 -3.151) 11.075 8.532 ( -0.125 3.320 -4.107) 5.282 8.564 ( -2.659 2.584 -4.969) 6.200 9.128 ( 2.448 -0.728 -1.809) 3.130 9.164 ( -0.690 -2.085 -1.871) 2.885 9.575 ( 12.154 -2.190 5.582) 13.553 9.688 ( 1.469 0.444 3.373) 3.706 9.834 ( 7.131 -11.959 1.135) 13.970 9.941 ( -3.561 -13.269 -1.137) 13.786 10.107 ( 3.318 0.407 -3.759) 5.031 10.124 ( 0.537 -1.110 -2.648) 2.921 10.319 ( 14.116 -0.591 1.092) 14.170 10.559 ( 9.052 4.523 -3.638) 10.754 10.629 ( 3.199 -2.473 -3.432) 5.304 10.830 ( -20.061 0.890 -5.470) 20.812 10.856 ( 0.915 -9.189 -14.873) 17.507 11.125 ( -20.078 -7.433 -13.722) 25.429 11.623 ( -0.467 -11.736 -5.415) 12.933 11.660 ( -3.627 -9.530 -7.703) 12.780 13.014 ( 3.480 3.822 2.803) 5.880 13.092 ( -4.148 -0.109 0.257) 4.157 13.326 ( 3.875 -1.217 4.515) 6.073 13.399 ( -3.004 0.859 4.021) 5.093 13.434 ( 1.182 0.469 -2.464) 2.773 13.480 ( -2.449 0.484 -0.760) 2.609 14.072 ( 6.242 -4.115 6.764) 10.082 14.151 ( -1.274 -7.465 4.109) 8.616 14.886 ( 10.828 12.155 2.820) 16.521 15.031 ( -2.818 10.272 -3.531) 11.221 15.515 ( 0.381 -3.855 1.093) 4.024 15.557 ( -3.360 -3.150 -0.608) 4.645 15.975 ( 5.777 0.931 -0.377) 5.864 16.015 ( 3.243 0.729 -3.962) 5.172 16.168 ( -5.015 -0.024 0.770) 5.074 16.205 ( -9.661 -0.773 -0.498) 9.705 17.530 ( 4.045 3.271 0.843) 5.270 17.607 ( -3.909 0.515 -2.240) 4.534 18.414 ( 2.522 -18.406 -1.817) 18.667 18.457 ( -1.906 -17.371 -3.880) 17.901 24.233 ( 0.551 5.267 0.580) 5.328 24.245 ( -0.691 6.370 0.442) 6.423 24.426 ( 0.455 15.714 -2.816) 15.971 24.447 ( -1.575 16.072 -4.392) 16.736 25.034 ( 2.719 6.095 1.813) 6.916 25.082 ( -2.044 7.526 0.406) 7.810 25.180 ( 1.380 -0.586 -0.125) 1.505 25.212 ( -1.819 -1.311 -0.777) 2.373 26.803 ( 11.617 0.279 4.492) 12.458 26.943 ( 3.787 -0.086 0.651) 3.843 27.316 ( -0.141 -4.572 -1.545) 4.828 27.563 ( -18.910 -6.709 -10.217) 22.516 29.661 ( 8.021 2.549 8.771) 12.155 29.748 ( 0.616 2.709 5.412) 6.083 30.325 ( 5.950 -9.316 4.894) 12.089 30.485 ( -9.063 -10.875 -1.812) 14.272 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( 0.000 10.878 20.352) 23.077 4.038 ( 0.000 9.021 6.969) 11.400 4.361 ( 0.000 4.752 12.786) 13.641 4.759 ( 0.000 7.194 -6.664) 9.806 4.840 ( 0.000 3.183 -1.658) 3.589 4.883 ( 0.000 -4.759 -6.378) 7.958 5.001 ( 0.000 5.348 8.607) 10.133 5.174 ( 0.000 5.127 4.960) 7.134 5.287 ( 0.000 1.220 4.121) 4.298 5.327 ( 0.000 6.657 2.377) 7.068 5.585 ( 0.000 11.183 8.850) 14.261 5.720 ( 0.000 2.712 -6.207) 6.773 5.883 ( 0.000 -0.033 5.297) 5.297 6.072 ( 0.000 -6.703 -10.703) 12.629 6.104 ( 0.000 14.142 4.123) 14.731 6.177 ( 0.000 1.590 -2.104) 2.637 6.301 ( 0.000 -1.528 2.390) 2.836 6.558 ( 0.000 8.735 -0.871) 8.778 6.661 ( 0.000 3.748 -3.302) 4.996 6.677 ( 0.000 -6.090 -10.060) 11.760 6.883 ( 0.000 -3.389 3.980) 5.227 7.041 ( 0.000 -3.879 0.574) 3.921 7.549 ( 0.000 1.758 1.954) 2.628 7.555 ( 0.000 2.516 -1.014) 2.712 7.856 ( 0.000 0.792 4.262) 4.335 7.863 ( 0.000 0.640 1.291) 1.441 8.100 ( 0.000 3.392 3.767) 5.070 8.120 ( 0.000 0.102 6.390) 6.390 8.410 ( 0.000 -1.090 -7.205) 7.287 8.472 ( 0.000 0.058 -4.748) 4.748 8.487 ( 0.000 -0.762 -8.258) 8.293 8.571 ( 0.000 0.453 -8.308) 8.320 8.931 ( 0.000 7.880 -5.654) 9.699 9.066 ( 0.000 1.894 -10.823) 10.987 9.369 ( 0.000 -3.098 -1.710) 3.538 9.480 ( 0.000 -5.849 1.316) 5.995 9.499 ( 0.000 -9.692 -5.150) 10.975 9.665 ( 0.000 -15.008 -5.788) 16.085 10.027 ( 0.000 13.112 2.720) 13.391 10.060 ( 0.000 9.170 -0.319) 9.175 10.349 ( 0.000 5.824 -0.509) 5.847 10.445 ( 0.000 5.598 -4.529) 7.201 10.462 ( 0.000 1.800 1.952) 2.655 10.792 ( 0.000 -3.450 -12.753) 13.211 11.278 ( 0.000 -20.684 -1.717) 20.756 11.291 ( 0.000 -21.811 -3.472) 22.086 11.551 ( 0.000 -0.372 -3.827) 3.846 11.581 ( 0.000 -2.293 -6.094) 6.511 13.104 ( 0.000 7.589 2.668) 8.045 13.178 ( 0.000 5.152 2.945) 5.935 13.286 ( 0.000 5.168 4.447) 6.818 13.375 ( 0.000 -0.306 -3.573) 3.586 13.555 ( 0.000 0.528 4.955) 4.983 13.656 ( 0.000 -1.969 1.092) 2.251 13.887 ( 0.000 -0.535 4.828) 4.858 13.971 ( 0.000 -3.385 0.983) 3.525 14.686 ( 0.000 3.037 10.019) 10.469 14.931 ( 0.000 -5.477 -0.346) 5.488 15.530 ( 0.000 2.537 -3.596) 4.401 15.647 ( 0.000 -1.506 -6.556) 6.727 15.918 ( 0.000 2.428 2.170) 3.256 16.012 ( 0.000 1.278 0.376) 1.332 16.325 ( 0.000 1.514 0.824) 1.724 16.420 ( 0.000 -2.299 -3.670) 4.331 17.585 ( 0.000 7.808 -0.349) 7.816 17.676 ( 0.000 -1.293 -4.639) 4.816 17.953 ( 0.000 -13.447 1.478) 13.528 18.143 ( 0.000 -15.277 -7.246) 16.908 24.342 ( 0.000 6.854 0.995) 6.926 24.430 ( 0.000 6.984 -2.132) 7.302 24.724 ( 0.000 9.456 -0.320) 9.462 24.748 ( 0.000 3.780 -1.215) 3.970 24.962 ( 0.000 1.121 -0.119) 1.127 25.062 ( 0.000 -5.280 -2.936) 6.042 25.288 ( 0.000 7.690 -0.880) 7.740 25.351 ( 0.000 5.351 -3.426) 6.353 26.540 ( 0.000 -0.756 0.332) 0.826 26.564 ( 0.000 -1.512 -1.037) 1.833 27.637 ( 0.000 2.988 3.897) 4.911 27.897 ( 0.000 -8.105 -8.340) 11.629 29.439 ( 0.000 -0.823 6.769) 6.819 29.458 ( 0.000 -1.169 5.912) 6.027 30.273 ( 0.000 0.711 9.674) 9.700 30.476 ( 0.000 -8.777 0.194) 8.779 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.859 ( 8.556 10.026 18.013) 22.321 4.097 ( 5.946 8.333 5.155) 11.462 4.352 ( -0.699 7.351 11.046) 13.287 4.722 ( -7.029 5.594 -0.134) 8.984 4.773 ( -3.289 4.573 -0.999) 5.721 4.870 ( -1.688 -1.917 -6.932) 7.388 4.905 ( -7.809 6.776 3.627) 10.957 5.126 ( -8.599 10.756 1.328) 13.835 5.195 ( 1.164 1.108 2.074) 2.624 5.483 ( 5.194 -5.602 9.311) 12.044 5.565 ( -7.981 -1.706 -5.497) 9.840 5.643 ( 1.879 8.495 4.502) 9.796 5.857 ( -0.036 3.869 2.647) 4.688 5.986 ( -10.003 -14.119 -2.053) 17.425 6.091 ( -0.927 8.377 0.388) 8.437 6.187 ( -1.919 2.352 -0.309) 3.051 6.383 ( 7.193 5.689 -0.396) 9.180 6.437 ( -2.763 16.540 -0.815) 16.789 6.708 ( 7.536 -5.157 -2.972) 9.603 6.818 ( 4.635 -0.200 -2.573) 5.306 6.973 ( 6.787 -2.404 1.130) 7.288 7.094 ( 7.368 -2.638 0.587) 7.848 7.444 ( -6.693 5.597 2.596) 9.103 7.561 ( 1.111 4.812 -0.399) 4.954 7.794 ( -4.025 -2.905 1.125) 5.090 7.892 ( -0.851 -2.376 -2.727) 3.716 8.087 ( -4.419 0.722 4.664) 6.465 8.181 ( 2.854 2.556 6.709) 7.726 8.361 ( -3.537 5.569 -6.718) 9.415 8.460 ( -0.170 4.020 -7.135) 8.192 8.535 ( 1.084 -0.993 -4.317) 4.561 8.596 ( 2.770 -0.232 -7.728) 8.213 9.040 ( 12.926 2.289 -2.289) 13.325 9.156 ( 7.936 4.223 -9.575) 13.134 9.393 ( 2.984 -1.634 -2.180) 4.041 9.416 ( -0.948 -6.824 1.086) 6.975 9.597 ( 5.411 -7.862 -4.398) 10.509 9.662 ( -0.359 -11.368 -4.559) 12.254 10.039 ( 1.399 5.951 2.049) 6.448 10.126 ( 5.294 8.527 0.398) 10.045 10.337 ( -1.033 5.628 0.580) 5.751 10.464 ( 1.196 -5.888 -0.308) 6.016 10.518 ( 6.724 9.405 -5.521) 12.812 10.755 ( -3.435 -2.839 -12.326) 13.107 11.088 ( -16.436 -17.153 -1.680) 23.816 11.257 ( -5.162 -16.092 -8.797) 19.052 11.450 ( -8.760 -2.555 -1.365) 9.227 11.550 ( -4.050 -6.226 -7.835) 10.796 13.114 ( 1.156 8.259 3.127) 8.907 13.182 ( 0.262 6.715 2.777) 7.272 13.320 ( 3.054 5.095 3.929) 7.122 13.397 ( 1.958 -0.009 -1.711) 2.600 13.538 ( -1.776 1.290 3.163) 3.849 13.577 ( -6.374 0.701 1.510) 6.588 13.874 ( -0.925 -6.533 5.507) 8.594 13.959 ( -1.446 -8.989 2.083) 9.340 14.820 ( 12.320 4.881 7.389) 15.173 15.017 ( 8.272 -2.969 -0.464) 8.801 15.532 ( -1.049 2.093 -3.672) 4.355 15.609 ( -4.207 -0.757 -4.246) 6.025 15.926 ( 1.547 1.432 1.356) 2.506 15.997 ( -0.518 0.664 0.597) 1.032 16.281 ( -4.374 1.443 0.193) 4.610 16.354 ( -6.542 -1.552 -2.881) 7.315 17.600 ( 1.370 7.172 -0.649) 7.330 17.667 ( -0.773 1.192 -3.733) 3.994 17.987 ( 3.107 -14.401 0.237) 14.734 18.136 ( -0.784 -15.247 -6.453) 16.575 24.349 ( 0.719 7.053 0.914) 7.149 24.422 ( -0.807 7.509 -1.637) 7.728 24.676 ( -3.289 4.439 -0.404) 5.540 24.711 ( -3.437 4.203 -2.135) 5.834 25.020 ( 5.058 2.543 0.613) 5.694 25.111 ( 4.092 -2.091 -2.503) 5.233 25.269 ( -1.924 7.137 -0.386) 7.402 25.329 ( -2.170 5.093 -2.952) 6.274 26.612 ( 8.045 0.487 0.921) 8.112 26.685 ( 11.354 -2.256 -2.585) 11.861 27.502 ( -12.754 2.198 3.377) 13.375 27.744 ( -14.574 -7.989 -7.891) 18.398 29.524 ( 9.248 1.401 7.881) 12.232 29.604 ( 12.091 -1.637 4.083) 12.866 30.225 ( -4.675 -0.648 9.410) 10.527 30.417 ( -6.078 -9.101 0.487) 10.955 ======================= Grid point 197 (72/90) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.101 ( 15.838 8.939 12.874) 22.282 4.241 ( 7.116 7.455 2.704) 10.655 4.338 ( -1.286 11.963 5.866) 13.386 4.472 ( -16.704 7.561 5.946) 19.276 4.719 ( -0.550 3.771 8.633) 9.437 4.794 ( -4.905 4.687 -3.184) 7.495 4.853 ( 0.429 2.969 -8.337) 8.861 4.929 ( -9.224 10.511 -2.857) 14.273 5.242 ( 3.605 -4.347 2.302) 6.099 5.344 ( -7.616 -9.024 2.569) 12.085 5.624 ( 5.299 -10.141 0.049) 11.442 5.700 ( -0.105 1.150 2.174) 2.461 5.821 ( -2.294 -1.891 -1.078) 3.162 5.856 ( -2.087 6.270 1.509) 6.778 6.085 ( 0.132 3.506 4.436) 5.655 6.114 ( -3.351 -1.206 3.989) 5.348 6.446 ( 2.331 14.886 -1.063) 15.105 6.470 ( 0.683 11.566 -2.888) 11.941 6.844 ( 3.348 -3.705 0.529) 5.022 6.862 ( 0.648 -3.842 1.282) 4.101 7.140 ( 11.414 1.462 2.329) 11.740 7.281 ( 2.858 3.955 0.679) 4.926 7.379 ( 5.625 4.745 2.793) 7.871 7.560 ( -4.069 4.924 -0.828) 6.441 7.778 ( 3.366 -2.057 -2.316) 4.575 7.863 ( 0.427 -1.138 -3.699) 3.893 7.923 ( -9.701 0.619 3.214) 10.238 8.029 ( -12.805 0.121 -3.197) 13.199 8.413 ( 4.720 6.654 -1.842) 8.363 8.467 ( -0.582 3.813 -5.497) 6.715 8.555 ( 1.788 -1.380 -2.133) 3.107 8.598 ( -1.986 -0.094 -4.083) 4.542 9.239 ( 3.480 11.516 -3.624) 12.565 9.266 ( 1.286 8.749 -5.855) 10.606 9.493 ( 10.214 -3.048 2.730) 11.003 9.571 ( 12.458 -9.319 0.150) 15.559 9.616 ( -3.143 -10.814 -2.911) 11.631 9.714 ( 2.322 -0.334 -1.728) 2.913 10.068 ( 3.567 -5.978 3.337) 7.720 10.186 ( -2.811 2.195 3.668) 5.116 10.342 ( 4.690 1.805 -1.508) 5.247 10.477 ( -2.538 -4.857 -1.188) 5.608 10.634 ( -0.169 -10.524 -13.698) 17.275 10.726 ( -8.956 -5.293 -13.121) 16.745 10.786 ( 5.848 6.700 -0.595) 8.913 11.064 ( -14.944 1.771 -12.527) 19.580 11.346 ( 0.480 -13.210 -3.333) 13.632 11.435 ( -6.904 -11.038 -8.535) 15.568 13.147 ( 2.062 9.690 3.492) 10.504 13.179 ( -0.899 9.602 3.068) 10.120 13.385 ( 3.348 5.137 3.578) 7.099 13.441 ( 2.675 -0.477 0.418) 2.749 13.457 ( -4.730 2.172 2.772) 5.897 13.499 ( -2.943 1.945 0.623) 3.583 13.874 ( 1.319 -14.267 5.031) 15.186 13.917 ( -2.653 -13.950 3.416) 14.605 15.085 ( 13.403 7.001 2.960) 15.408 15.190 ( 6.350 4.137 -1.083) 7.656 15.444 ( -5.564 -2.213 0.114) 5.989 15.498 ( -7.236 -2.653 -1.564) 7.864 15.999 ( 6.272 1.577 0.267) 6.473 16.037 ( 4.194 0.981 -1.445) 4.543 16.174 ( -6.103 0.414 -0.786) 6.167 16.195 ( -8.691 -0.297 -0.579) 8.715 17.629 ( 1.414 6.075 -1.328) 6.377 17.651 ( -0.925 4.574 -2.355) 5.227 18.054 ( 3.431 -15.226 -2.105) 15.749 18.108 ( -2.154 -15.271 -4.504) 16.067 24.370 ( 1.429 7.662 0.542) 7.813 24.400 ( -1.486 8.131 -0.421) 8.276 24.633 ( -0.812 1.702 -1.369) 2.330 24.650 ( -2.382 2.253 -2.130) 3.910 25.124 ( 5.246 4.336 0.745) 6.847 25.189 ( 2.666 1.982 -1.876) 3.815 25.219 ( -2.182 5.571 0.366) 5.994 25.272 ( -3.560 4.167 -2.038) 5.847 26.832 ( 13.820 2.663 1.681) 14.174 26.948 ( 11.875 -0.117 -2.948) 12.236 27.231 ( -10.776 -2.450 0.311) 11.056 27.405 ( -18.846 -7.863 -7.006) 21.589 29.734 ( 10.726 4.371 7.963) 14.056 29.818 ( 5.899 3.398 4.367) 8.088 30.137 ( -1.244 -7.509 6.976) 10.325 30.256 ( -9.823 -10.221 1.747) 14.283 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.999 ( 0.000 -8.869 12.677) 15.472 3.999 ( 0.000 8.869 12.677) 15.472 4.610 ( 0.000 -15.474 4.116) 16.012 4.610 ( 0.000 15.474 4.116) 16.012 4.832 ( 0.000 -1.303 0.061) 1.305 4.832 ( 0.000 1.303 0.061) 1.305 5.185 ( 0.000 -7.070 -0.278) 7.076 5.185 ( 0.000 7.070 -0.278) 7.076 5.368 ( 0.000 -2.662 2.721) 3.807 5.368 ( 0.000 2.662 2.721) 3.807 5.774 ( 0.000 -7.158 10.837) 12.988 5.774 ( 0.000 7.158 10.837) 12.988 5.857 ( 0.000 -10.854 -5.929) 12.367 5.857 ( 0.000 10.854 -5.929) 12.367 6.259 ( 0.000 -2.531 -2.884) 3.836 6.259 ( 0.000 2.531 -2.884) 3.836 6.386 ( 0.000 -11.859 0.596) 11.874 6.386 ( 0.000 11.859 0.596) 11.874 6.729 ( 0.000 -1.247 -5.924) 6.054 6.729 ( 0.000 1.247 -5.924) 6.054 6.935 ( 0.000 -6.241 1.879) 6.517 6.935 ( 0.000 6.241 1.879) 6.517 7.598 ( 0.000 -0.573 -0.116) 0.584 7.598 ( 0.000 0.573 -0.116) 0.584 7.855 ( 0.000 -0.548 2.536) 2.594 7.855 ( 0.000 0.548 2.536) 2.594 8.129 ( 0.000 -0.365 6.485) 6.495 8.129 ( 0.000 0.365 6.485) 6.495 8.413 ( 0.000 -1.999 -7.769) 8.022 8.413 ( 0.000 1.999 -7.769) 8.022 8.525 ( 0.000 -3.355 -8.133) 8.798 8.525 ( 0.000 3.355 -8.133) 8.798 9.094 ( 0.000 -2.277 -10.703) 10.943 9.094 ( 0.000 2.277 -10.703) 10.943 9.331 ( 0.000 -4.322 -0.998) 4.436 9.331 ( 0.000 4.322 -0.998) 4.436 9.448 ( 0.000 -3.687 -3.807) 5.300 9.448 ( 0.000 3.687 -3.807) 5.300 10.228 ( 0.000 -2.327 4.567) 5.126 10.228 ( 0.000 2.327 4.567) 5.126 10.373 ( 0.000 -2.084 -3.222) 3.837 10.373 ( 0.000 2.084 -3.222) 3.837 10.789 ( 0.000 -14.871 -2.972) 15.165 10.789 ( 0.000 14.871 -2.972) 15.165 10.914 ( 0.000 -7.246 -7.055) 10.113 10.914 ( 0.000 7.246 -7.055) 10.113 11.549 ( 0.000 -0.551 -5.122) 5.152 11.549 ( 0.000 0.551 -5.122) 5.152 13.279 ( 0.000 -6.696 -1.301) 6.822 13.279 ( 0.000 6.696 -1.301) 6.822 13.307 ( 0.000 -3.078 5.381) 6.199 13.307 ( 0.000 3.078 5.381) 6.199 13.603 ( 0.000 -3.462 5.386) 6.403 13.603 ( 0.000 3.462 5.386) 6.403 13.885 ( 0.000 -2.436 1.634) 2.933 13.885 ( 0.000 2.436 1.634) 2.933 14.793 ( 0.000 -6.709 5.173) 8.472 14.793 ( 0.000 6.709 5.173) 8.472 15.595 ( 0.000 -3.165 -6.992) 7.675 15.595 ( 0.000 3.165 -6.992) 7.675 15.986 ( 0.000 -3.136 3.460) 4.670 15.986 ( 0.000 3.136 3.460) 4.670 16.372 ( 0.000 -2.427 -2.028) 3.163 16.372 ( 0.000 2.427 -2.028) 3.163 17.674 ( 0.000 -0.597 -0.597) 0.844 17.674 ( 0.000 0.597 -0.597) 0.844 17.883 ( 0.000 -7.939 -5.911) 9.898 17.883 ( 0.000 7.939 -5.911) 9.898 24.473 ( 0.000 -3.860 -0.794) 3.941 24.473 ( 0.000 3.860 -0.794) 3.941 24.780 ( 0.000 -2.183 1.661) 2.743 24.780 ( 0.000 2.183 1.661) 2.743 25.000 ( 0.000 -1.059 -2.314) 2.545 25.000 ( 0.000 1.059 -2.314) 2.545 25.396 ( 0.000 -1.605 -3.734) 4.064 25.396 ( 0.000 1.605 -3.734) 4.064 26.540 ( 0.000 -0.690 -0.536) 0.874 26.540 ( 0.000 0.690 -0.536) 0.874 27.738 ( 0.000 -6.545 -2.266) 6.926 27.738 ( 0.000 6.545 -2.266) 6.926 29.437 ( 0.000 -0.622 6.697) 6.725 29.437 ( 0.000 0.622 6.697) 6.725 30.330 ( 0.000 -4.898 5.257) 7.185 30.330 ( 0.000 4.898 5.257) 7.185 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.062 ( 6.855 -7.993 10.873) 15.137 4.062 ( 6.855 7.993 10.873) 15.137 4.613 ( -0.336 -13.691 1.705) 13.801 4.613 ( -0.336 13.691 1.705) 13.801 4.798 ( -2.856 -1.823 2.914) 4.469 4.798 ( -2.856 1.823 2.914) 4.469 5.121 ( -7.275 -10.034 -1.169) 12.449 5.121 ( -7.275 10.034 -1.169) 12.449 5.359 ( -0.458 -8.606 1.641) 8.773 5.359 ( -0.458 8.606 1.641) 8.773 5.648 ( -14.582 -12.305 -1.214) 19.118 5.648 ( -14.582 12.305 -1.214) 19.118 5.831 ( 3.987 -4.766 4.887) 7.905 5.831 ( 3.987 4.766 4.887) 7.905 6.205 ( -4.984 -1.994 -0.950) 5.451 6.205 ( -4.984 1.994 -0.950) 5.451 6.527 ( 10.545 -6.132 3.278) 12.631 6.527 ( 10.545 6.132 3.278) 12.631 6.743 ( 0.912 -6.852 -1.219) 7.019 6.743 ( 0.912 6.852 -1.219) 7.019 7.013 ( 8.362 -4.660 -2.443) 9.880 7.013 ( 8.362 4.660 -2.443) 9.880 7.610 ( 1.297 -6.256 0.542) 6.412 7.610 ( 1.297 6.256 0.542) 6.412 7.779 ( -5.237 -6.162 -0.111) 8.087 7.779 ( -5.237 6.162 -0.111) 8.087 8.132 ( -3.144 -4.584 2.590) 6.132 8.132 ( -3.144 4.584 2.590) 6.132 8.465 ( 2.700 -3.424 -4.549) 6.302 8.465 ( 2.700 3.424 -4.549) 6.302 8.556 ( 1.456 -2.646 -7.593) 8.171 8.556 ( 1.456 2.646 -7.593) 8.171 9.120 ( 9.312 -6.281 -5.379) 12.454 9.120 ( 9.312 6.281 -5.379) 12.454 9.421 ( 4.243 -6.991 -2.238) 8.478 9.421 ( 4.243 6.991 -2.238) 8.478 9.473 ( 4.083 -3.657 -4.461) 7.067 9.473 ( 4.083 3.657 -4.461) 7.067 10.221 ( -2.403 -6.162 4.463) 7.979 10.221 ( -2.403 6.162 4.463) 7.979 10.365 ( 0.118 -4.248 -4.239) 6.002 10.365 ( 0.118 4.248 -4.239) 6.002 10.733 ( -7.163 -13.914 -1.844) 15.757 10.733 ( -7.163 13.914 -1.844) 15.757 10.901 ( 1.349 -14.726 -9.284) 17.461 10.901 ( 1.349 14.726 -9.284) 17.461 11.459 ( -8.962 -2.461 -5.835) 10.973 11.459 ( -8.962 2.461 -5.835) 10.973 13.291 ( 2.058 -7.218 2.390) 7.877 13.291 ( 2.058 7.218 2.390) 7.877 13.361 ( 4.398 -6.719 2.135) 8.310 13.361 ( 4.398 6.719 2.135) 8.310 13.575 ( -2.762 -0.671 5.594) 6.275 13.575 ( -2.762 0.671 5.594) 6.275 13.793 ( -8.005 -3.197 1.553) 8.758 13.793 ( -8.005 3.197 1.553) 8.758 14.925 ( 12.051 -5.122 4.106) 13.723 14.925 ( 12.051 5.122 4.106) 13.723 15.579 ( -2.768 -2.046 -6.010) 6.926 15.579 ( -2.768 2.046 -6.010) 6.926 15.973 ( 0.008 -2.438 3.203) 4.026 15.973 ( 0.008 2.438 3.203) 4.026 16.320 ( -5.269 -1.864 -1.889) 5.900 16.320 ( -5.269 1.864 -1.889) 5.900 17.706 ( 3.077 -3.590 -1.074) 4.848 17.706 ( 3.077 3.590 -1.074) 4.848 17.873 ( -1.096 -7.902 -5.300) 9.578 17.873 ( -1.096 7.902 -5.300) 9.578 24.484 ( 1.134 -3.724 -0.684) 3.953 24.484 ( 1.134 3.724 -0.684) 3.953 24.703 ( -5.920 -2.813 0.569) 6.579 24.703 ( -5.920 2.813 0.569) 6.579 25.082 ( 6.369 -2.003 -1.195) 6.782 25.082 ( 6.369 2.003 -1.195) 6.782 25.372 ( -2.507 -1.605 -2.995) 4.222 25.372 ( -2.507 1.605 -2.995) 4.222 26.640 ( 10.074 -1.941 -1.184) 10.328 26.640 ( 10.074 1.941 -1.184) 10.328 27.590 ( -14.083 -6.130 -2.223) 15.519 27.590 ( -14.083 6.130 -2.223) 15.519 29.563 ( 11.763 -2.123 6.318) 13.520 29.563 ( 11.763 2.123 6.318) 13.520 30.268 ( -6.457 -4.748 5.298) 9.607 30.268 ( -6.457 4.748 5.298) 9.607 ======================= Grid point 204 (75/90) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.266 ( 13.880 -4.903 6.654) 16.154 4.266 ( 13.880 4.903 6.654) 16.154 4.528 ( -10.407 -4.241 1.491) 11.336 4.528 ( -10.407 4.241 1.491) 11.336 4.784 ( 2.913 -4.668 3.902) 6.746 4.784 ( 2.913 4.668 3.902) 6.746 4.919 ( -10.976 -7.176 -1.402) 13.189 4.919 ( -10.976 7.176 -1.402) 13.189 5.368 ( 1.631 -12.218 0.342) 12.331 5.368 ( 1.631 12.218 0.342) 12.331 5.437 ( -6.391 -14.081 -0.639) 15.477 5.437 ( -6.391 14.081 -0.639) 15.477 5.942 ( 7.008 -3.502 3.191) 8.459 5.942 ( 7.008 3.502 3.191) 8.459 6.083 ( -7.275 -0.929 0.952) 7.395 6.083 ( -7.275 0.929 0.952) 7.395 6.675 ( 4.733 -3.581 4.903) 7.698 6.675 ( 4.733 3.581 4.903) 7.698 6.737 ( -1.896 -3.993 3.066) 5.380 6.737 ( -1.896 3.993 3.066) 5.380 7.274 ( 17.076 -6.469 -2.284) 18.402 7.274 ( 17.076 6.469 -2.284) 18.402 7.553 ( -9.837 -8.615 -0.542) 13.087 7.553 ( -9.837 8.615 -0.542) 13.087 7.775 ( 6.639 -4.740 -2.116) 8.427 7.775 ( 6.639 4.740 -2.116) 8.427 7.972 ( -11.883 -3.858 -1.298) 12.561 7.972 ( -11.883 3.858 -1.298) 12.561 8.504 ( 1.832 -2.380 -4.219) 5.179 8.504 ( 1.832 2.380 -4.219) 5.179 8.539 ( -1.859 -3.234 -5.580) 6.712 8.539 ( -1.859 3.234 -5.580) 6.712 9.389 ( 9.448 -4.604 -0.057) 10.510 9.389 ( 9.448 4.604 -0.057) 10.510 9.451 ( 0.036 -5.230 -2.156) 5.657 9.451 ( 0.036 5.230 -2.156) 5.657 9.657 ( 17.918 -11.987 -2.764) 21.734 9.657 ( 17.918 11.987 -2.764) 21.734 10.044 ( -16.819 -10.136 2.839) 19.841 10.044 ( -16.819 10.136 2.839) 19.841 10.419 ( 5.270 -5.871 -5.371) 9.545 10.419 ( 5.270 5.871 -5.371) 9.545 10.555 ( -9.009 -6.202 -5.173) 12.099 10.555 ( -9.009 6.202 -5.173) 12.099 11.010 ( 9.612 -10.594 -8.185) 16.481 11.010 ( 9.612 10.594 -8.185) 16.481 11.238 ( -12.949 -6.181 -7.093) 16.006 11.238 ( -12.949 6.181 -7.093) 16.006 13.359 ( 4.598 -7.372 4.600) 9.831 13.359 ( 4.598 7.372 4.600) 9.831 13.429 ( -0.093 -6.432 3.044) 7.116 13.429 ( -0.093 6.432 3.044) 7.116 13.531 ( 1.156 -9.367 3.644) 10.117 13.531 ( 1.156 9.367 3.644) 10.117 13.635 ( -7.587 -8.461 0.927) 11.402 13.635 ( -7.587 8.461 0.927) 11.402 15.192 ( 14.563 -3.176 1.818) 15.016 15.192 ( 14.563 3.176 1.818) 15.016 15.446 ( -10.971 -1.975 -1.792) 11.291 15.446 ( -10.971 1.975 -1.792) 11.291 16.035 ( 6.416 -1.338 0.614) 6.582 16.035 ( 6.416 1.338 0.614) 6.582 16.185 ( -8.223 -0.665 -1.229) 8.341 16.185 ( -8.223 0.665 -1.229) 8.341 17.776 ( 3.765 -6.139 -2.281) 7.554 17.776 ( 3.765 6.139 -2.281) 7.554 17.838 ( -2.587 -7.477 -3.854) 8.800 17.838 ( -2.587 7.477 -3.854) 8.800 24.521 ( 2.847 -3.413 -0.428) 4.465 24.521 ( 2.847 3.413 -0.428) 4.465 24.595 ( -4.895 -3.100 -0.084) 5.795 24.595 ( -4.895 3.100 -0.084) 5.795 25.203 ( 5.943 -1.824 -0.859) 6.276 25.203 ( 5.943 1.824 -0.859) 6.276 25.304 ( -4.454 -1.611 -1.640) 5.012 25.304 ( -4.454 1.611 -1.640) 5.012 26.906 ( 16.954 -3.652 -2.101) 17.470 26.906 ( 16.954 3.652 -2.101) 17.470 27.259 ( -18.940 -5.119 -2.317) 19.756 27.259 ( -18.940 5.119 -2.317) 19.756 29.829 ( 14.635 -3.437 5.778) 16.105 29.829 ( 14.635 3.437 5.778) 16.105 30.089 ( -11.862 -4.276 5.448) 13.736 30.089 ( -11.862 4.276 5.448) 13.736 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.624 ( 0.000 0.000 -19.040) 19.040 3.624 ( 0.000 0.000 19.040) 19.040 4.206 ( 0.000 0.000 -29.517) 29.517 4.206 ( 0.000 0.000 29.517) 29.517 4.243 ( 0.000 0.000 -2.843) 2.843 4.243 ( 0.000 0.000 2.843) 2.843 4.754 ( 0.000 0.000 -8.709) 8.709 4.754 ( 0.000 0.000 8.709) 8.709 5.134 ( 0.000 0.000 -6.334) 6.334 5.134 ( 0.000 0.000 6.334) 6.334 5.281 ( 0.000 0.000 -3.455) 3.455 5.281 ( 0.000 0.000 3.455) 3.455 5.467 ( 0.000 0.000 -18.151) 18.151 5.467 ( 0.000 0.000 18.151) 18.151 6.032 ( 0.000 0.000 -2.213) 2.213 6.032 ( 0.000 0.000 2.213) 2.213 6.807 ( 0.000 0.000 -2.831) 2.831 6.807 ( 0.000 0.000 2.832) 2.832 7.142 ( 0.000 0.000 -7.699) 7.699 7.142 ( 0.000 0.000 7.699) 7.699 7.233 ( 0.000 0.000 -8.147) 8.147 7.233 ( 0.000 0.000 8.147) 8.147 7.378 ( 0.000 0.000 -3.634) 3.634 7.378 ( 0.000 0.000 3.634) 3.634 7.473 ( 0.000 0.000 -0.452) 0.452 7.473 ( 0.000 0.000 0.452) 0.452 7.989 ( 0.000 0.000 -1.572) 1.572 7.989 ( 0.000 0.000 1.572) 1.572 7.997 ( 0.000 0.000 -3.001) 3.001 7.997 ( 0.000 0.000 3.001) 3.001 8.723 ( 0.000 0.000 -3.472) 3.472 8.723 ( 0.000 0.000 3.472) 3.472 8.937 ( 0.000 0.000 -6.933) 6.933 8.937 ( 0.000 0.000 6.933) 6.933 9.446 ( 0.000 0.000 -5.413) 5.413 9.446 ( 0.000 0.000 5.413) 5.413 9.756 ( 0.000 0.000 -10.971) 10.971 9.756 ( 0.000 0.000 10.971) 10.971 10.004 ( 0.000 0.000 -0.765) 0.765 10.004 ( 0.000 0.000 0.765) 0.765 10.536 ( 0.000 0.000 -7.382) 7.382 10.536 ( 0.000 0.000 7.382) 7.382 10.755 ( 0.000 0.000 -9.778) 9.778 10.755 ( 0.000 0.000 9.778) 9.778 11.465 ( 0.000 0.000 -5.938) 5.938 11.465 ( 0.000 0.000 5.938) 5.938 12.001 ( 0.000 0.000 -2.832) 2.832 12.001 ( 0.000 0.000 2.832) 2.832 13.029 ( 0.000 0.000 -13.813) 13.813 13.029 ( 0.000 0.000 13.813) 13.813 13.474 ( 0.000 0.000 -2.766) 2.766 13.474 ( 0.000 0.000 2.766) 2.766 13.629 ( 0.000 0.000 -4.227) 4.227 13.629 ( 0.000 0.000 4.227) 4.227 13.672 ( 0.000 0.000 -1.920) 1.920 13.672 ( 0.000 0.000 1.920) 1.920 14.686 ( 0.000 0.000 -8.263) 8.263 14.686 ( 0.000 0.000 8.263) 8.263 15.651 ( 0.000 0.000 -2.563) 2.563 15.651 ( 0.000 0.000 2.563) 2.563 15.835 ( 0.000 0.000 -1.557) 1.557 15.835 ( 0.000 0.000 1.557) 1.557 16.461 ( 0.000 0.000 -4.998) 4.998 16.461 ( 0.000 0.000 4.998) 4.998 17.469 ( 0.000 0.000 -11.773) 11.773 17.469 ( 0.000 0.000 11.773) 11.773 18.964 ( 0.000 0.000 -1.316) 1.316 18.964 ( 0.000 0.000 1.316) 1.316 23.884 ( 0.000 0.000 -1.989) 1.989 23.884 ( 0.000 0.000 1.989) 1.989 24.157 ( 0.000 0.000 -2.386) 2.386 24.157 ( 0.000 0.000 2.386) 2.386 24.827 ( 0.000 0.000 -1.000) 1.000 24.827 ( 0.000 0.000 1.000) 1.000 25.291 ( 0.000 0.000 -3.197) 3.197 25.291 ( 0.000 0.000 3.197) 3.197 26.639 ( 0.000 0.000 -1.007) 1.007 26.639 ( 0.000 0.000 1.007) 1.007 27.886 ( 0.000 0.000 -14.519) 14.519 27.886 ( 0.000 0.000 14.519) 14.519 29.564 ( 0.000 0.000 -0.671) 0.671 29.564 ( 0.000 0.000 0.671) 0.671 30.677 ( 0.000 0.000 -14.248) 14.248 30.677 ( 0.000 0.000 14.248) 14.248 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( 2.315 0.000 -15.895) 16.063 3.649 ( 2.315 0.000 15.895) 16.063 4.231 ( 2.618 0.000 -23.552) 23.697 4.231 ( 2.618 0.000 23.552) 23.697 4.240 ( -0.333 0.000 -2.330) 2.354 4.240 ( -0.333 0.000 2.330) 2.354 4.707 ( -4.060 0.000 -7.218) 8.282 4.707 ( -4.060 0.000 7.218) 8.282 4.890 ( -16.536 0.000 -3.977) 17.008 4.890 ( -16.536 0.000 3.977) 17.008 5.315 ( 2.834 0.000 -3.146) 4.234 5.315 ( 2.834 0.000 3.146) 4.234 5.732 ( 18.701 0.000 -4.540) 19.244 5.732 ( 18.701 0.000 4.540) 19.244 6.048 ( 1.510 0.000 -2.810) 3.190 6.048 ( 1.510 0.000 2.810) 3.190 6.811 ( -0.245 0.000 -6.806) 6.810 6.811 ( -0.245 0.000 6.806) 6.811 7.120 ( -1.845 0.000 -9.417) 9.596 7.120 ( -1.845 0.000 9.417) 9.596 7.190 ( -3.780 0.000 -6.503) 7.522 7.190 ( -3.780 0.000 6.503) 7.522 7.378 ( 0.084 0.000 -6.303) 6.304 7.378 ( 0.084 0.000 6.303) 6.304 7.480 ( 0.531 0.000 -2.323) 2.383 7.480 ( 0.531 0.000 2.323) 2.383 7.875 ( -8.808 0.000 -2.715) 9.217 7.875 ( -8.808 0.000 2.715) 9.217 7.998 ( 0.800 0.000 -1.315) 1.539 7.998 ( 0.800 0.000 1.315) 1.539 8.613 ( -10.508 0.000 -2.559) 10.815 8.613 ( -10.508 0.000 2.559) 10.815 9.174 ( 19.991 0.000 -3.409) 20.279 9.174 ( 19.991 0.000 3.409) 20.279 9.451 ( 0.445 0.000 -4.373) 4.395 9.451 ( 0.445 0.000 4.373) 4.395 9.895 ( 13.590 0.000 -8.605) 16.085 9.895 ( 13.590 0.000 8.605) 16.085 10.011 ( 0.654 0.000 -0.703) 0.961 10.011 ( 0.654 0.000 0.703) 0.961 10.532 ( -0.399 0.000 -6.063) 6.076 10.532 ( -0.399 0.000 6.063) 6.076 10.751 ( -0.720 0.000 -8.874) 8.904 10.751 ( -0.720 0.000 8.874) 8.904 11.312 ( -15.239 0.000 -9.786) 18.111 11.312 ( -15.239 0.000 9.786) 18.111 11.897 ( -8.351 0.000 -3.474) 9.044 11.897 ( -8.351 0.000 3.474) 9.044 13.037 ( 0.763 0.000 -11.799) 11.823 13.037 ( 0.763 0.000 11.799) 11.823 13.430 ( -3.442 0.000 -3.571) 4.960 13.430 ( -3.442 0.000 3.571) 4.960 13.663 ( 2.509 0.000 -2.777) 3.743 13.663 ( 2.509 0.000 2.777) 3.743 13.851 ( 16.168 0.000 -8.356) 18.199 13.851 ( 16.168 0.000 8.356) 18.199 14.646 ( -4.342 0.000 -9.070) 10.055 14.646 ( -4.342 0.000 9.070) 10.055 15.651 ( 0.016 0.000 -2.075) 2.075 15.651 ( 0.016 0.000 2.075) 2.075 15.864 ( 3.002 0.000 -1.693) 3.447 15.864 ( 3.002 0.000 1.693) 3.447 16.381 ( -7.572 0.000 -3.801) 8.473 16.381 ( -7.572 0.000 3.801) 8.473 17.495 ( 2.286 0.000 -9.389) 9.663 17.495 ( 2.286 0.000 9.389) 9.663 18.943 ( -1.944 0.000 -1.411) 2.402 18.943 ( -1.944 0.000 1.411) 2.402 23.883 ( -0.052 0.000 -1.603) 1.604 23.883 ( -0.052 0.000 1.603) 1.604 24.157 ( 0.041 0.000 -1.925) 1.925 24.157 ( 0.041 0.000 1.925) 1.925 24.827 ( 0.021 0.000 -0.861) 0.861 24.827 ( 0.021 0.000 0.861) 0.861 25.285 ( -0.535 0.000 -2.645) 2.698 25.285 ( -0.535 0.000 2.645) 2.698 26.729 ( 9.034 0.000 -3.652) 9.744 26.729 ( 9.034 0.000 3.652) 9.744 27.755 ( -12.441 0.000 -13.430) 18.307 27.755 ( -12.441 0.000 13.430) 18.307 29.633 ( 6.100 0.000 -3.529) 7.047 29.633 ( 6.100 0.000 3.529) 7.047 30.663 ( -1.332 0.000 -12.133) 12.205 30.663 ( -1.332 0.000 12.133) 12.205 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( 1.567 0.000 -6.454) 6.641 3.693 ( 1.567 0.000 6.454) 6.641 4.234 ( -0.204 0.000 -0.912) 0.935 4.234 ( -0.204 0.000 0.912) 0.935 4.299 ( 3.676 0.000 -9.888) 10.549 4.299 ( 3.676 0.000 9.888) 10.549 4.623 ( -9.432 0.000 -3.617) 10.102 4.623 ( -9.432 0.000 3.617) 10.102 4.636 ( -2.393 0.000 -3.010) 3.846 4.636 ( -2.393 0.000 3.010) 3.846 5.362 ( 1.481 0.000 -1.419) 2.051 5.362 ( 1.481 0.000 1.419) 2.051 6.043 ( 10.743 0.000 -2.019) 10.931 6.043 ( 10.743 0.000 2.019) 10.931 6.077 ( 1.058 0.000 -1.579) 1.901 6.077 ( 1.058 0.000 1.579) 1.901 6.788 ( -1.403 0.000 -6.528) 6.677 6.788 ( -1.403 0.000 6.528) 6.677 7.084 ( -1.615 0.000 -5.567) 5.796 7.084 ( -1.615 0.000 5.567) 5.796 7.124 ( -2.274 0.000 -2.473) 3.360 7.124 ( -2.274 0.000 2.473) 3.360 7.380 ( 0.023 0.000 -4.128) 4.129 7.380 ( 0.023 0.000 4.128) 4.129 7.487 ( 0.213 0.000 -1.167) 1.186 7.487 ( 0.213 0.000 1.167) 1.186 7.753 ( -3.176 0.000 -2.247) 3.890 7.753 ( -3.176 0.000 2.247) 3.890 8.012 ( 0.441 0.000 -0.518) 0.680 8.012 ( 0.441 0.000 0.518) 0.680 8.426 ( -6.410 0.000 -1.138) 6.510 8.426 ( -6.410 0.000 1.138) 6.510 9.459 ( 0.266 0.000 -1.665) 1.686 9.459 ( 0.266 0.000 1.665) 1.686 9.493 ( 9.661 0.000 -2.108) 9.889 9.493 ( 9.661 0.000 2.108) 9.889 10.023 ( 0.427 0.000 -0.333) 0.541 10.023 ( 0.427 0.000 0.333) 0.541 10.250 ( 21.698 0.000 -7.620) 22.997 10.250 ( 21.698 0.000 7.620) 22.997 10.524 ( -0.262 0.000 -2.378) 2.393 10.524 ( -0.262 0.000 2.378) 2.393 10.677 ( -10.389 0.000 -12.753) 16.449 10.677 ( -10.389 0.000 12.753) 16.449 10.984 ( -12.675 0.000 -12.875) 18.067 10.984 ( -12.675 0.000 12.875) 18.067 11.764 ( -4.194 0.000 -1.566) 4.477 11.764 ( -4.194 0.000 1.566) 4.477 13.052 ( 0.572 0.000 -5.034) 5.067 13.052 ( 0.572 0.000 5.034) 5.067 13.374 ( -1.767 0.000 -2.070) 2.722 13.374 ( -1.767 0.000 2.070) 2.722 13.700 ( 1.090 0.000 -0.896) 1.411 13.700 ( 1.090 0.000 0.896) 1.411 14.181 ( 15.241 0.000 -9.653) 18.041 14.181 ( 15.241 0.000 9.653) 18.041 14.514 ( -8.860 0.000 -9.242) 12.802 14.514 ( -8.860 0.000 9.242) 12.802 15.651 ( 0.010 0.000 -0.793) 0.793 15.651 ( 0.010 0.000 0.793) 0.793 15.942 ( 4.248 0.000 -0.988) 4.361 15.942 ( 4.248 0.000 0.988) 4.361 16.221 ( -7.033 0.000 -1.368) 7.165 16.221 ( -7.033 0.000 1.368) 7.165 17.535 ( 1.296 0.000 -3.558) 3.787 17.535 ( 1.296 0.000 3.558) 3.787 18.908 ( -1.214 0.000 -0.737) 1.420 18.908 ( -1.214 0.000 0.737) 1.420 23.882 ( -0.032 0.000 -0.609) 0.609 23.882 ( -0.032 0.000 0.609) 0.609 24.158 ( 0.025 0.000 -0.731) 0.732 24.158 ( 0.025 0.000 0.731) 0.732 24.827 ( 0.013 0.000 -0.360) 0.360 24.827 ( 0.013 0.000 0.360) 0.360 25.275 ( -0.344 0.000 -1.043) 1.098 25.275 ( -0.344 0.000 1.043) 1.098 26.943 ( 10.690 0.000 -4.865) 11.745 26.943 ( 10.690 0.000 4.865) 11.745 27.486 ( -12.445 0.000 -8.359) 14.992 27.486 ( -12.445 0.000 8.359) 14.992 29.739 ( 3.595 0.000 -2.275) 4.254 29.739 ( 3.595 0.000 2.275) 4.254 30.637 ( -0.994 0.000 -5.109) 5.205 30.637 ( -0.994 0.000 5.109) 5.205 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.735 ( 0.000 9.092 -14.059) 16.743 3.735 ( 0.000 9.092 14.059) 16.743 4.192 ( 0.000 3.464 -14.873) 15.271 4.192 ( 0.000 3.464 14.873) 15.271 4.413 ( 0.000 11.076 -4.737) 12.046 4.413 ( 0.000 11.076 4.737) 12.046 4.947 ( 0.000 16.441 -6.808) 17.794 4.947 ( 0.000 16.440 6.808) 17.794 5.131 ( 0.000 1.114 -3.931) 4.085 5.131 ( 0.000 1.114 3.931) 4.086 5.367 ( 0.000 1.854 -14.006) 14.129 5.367 ( 0.000 1.854 14.006) 14.129 5.475 ( 0.000 6.113 -7.158) 9.413 5.475 ( 0.000 6.113 7.158) 9.413 6.019 ( 0.000 -0.794 -2.960) 3.064 6.019 ( 0.000 -0.794 2.960) 3.064 6.686 ( 0.000 -10.200 -3.056) 10.649 6.686 ( 0.000 -10.200 3.056) 10.649 7.004 ( 0.000 -8.442 -10.844) 13.742 7.004 ( 0.000 -8.442 10.844) 13.742 7.183 ( 0.000 -6.004 -4.268) 7.366 7.183 ( 0.000 -6.004 4.268) 7.366 7.457 ( 0.000 7.484 -3.665) 8.333 7.457 ( 0.000 7.484 3.665) 8.333 7.619 ( 0.000 8.655 -1.016) 8.714 7.619 ( 0.000 8.655 1.016) 8.714 7.952 ( 0.000 0.927 -3.569) 3.687 7.952 ( 0.000 0.927 3.569) 3.687 8.145 ( 0.000 9.416 -0.258) 9.420 8.145 ( 0.000 9.416 0.258) 9.420 8.661 ( 0.000 -5.514 -3.360) 6.457 8.661 ( 0.000 -5.514 3.360) 6.457 8.924 ( 0.000 -1.361 -6.275) 6.421 8.924 ( 0.000 -1.361 6.275) 6.421 9.418 ( 0.000 -0.990 -8.588) 8.644 9.418 ( 0.000 -0.990 8.588) 8.644 9.811 ( 0.000 3.011 -8.560) 9.074 9.811 ( 0.000 3.011 8.560) 9.074 10.033 ( 0.000 3.510 -0.549) 3.552 10.033 ( 0.000 3.510 0.549) 3.552 10.324 ( 0.000 -16.576 -6.021) 17.635 10.324 ( 0.000 -16.576 6.021) 17.635 10.760 ( 0.000 -1.473 -9.425) 9.539 10.760 ( 0.000 -1.473 9.425) 9.539 11.486 ( 0.000 1.506 -4.625) 4.864 11.486 ( 0.000 1.506 4.625) 4.864 11.937 ( 0.000 -6.822 -2.059) 7.126 11.937 ( 0.000 -6.822 2.059) 7.126 13.044 ( 0.000 1.405 -12.167) 12.248 13.044 ( 0.000 1.405 12.167) 12.248 13.389 ( 0.000 -8.328 -0.522) 8.344 13.389 ( 0.000 -8.328 0.522) 8.344 13.538 ( 0.000 1.449 -1.794) 2.306 13.538 ( 0.000 1.449 1.794) 2.306 13.838 ( 0.000 7.305 -0.899) 7.360 13.838 ( 0.000 7.305 0.899) 7.360 14.758 ( 0.000 5.494 -8.362) 10.005 14.758 ( 0.000 5.494 8.362) 10.005 15.625 ( 0.000 -2.209 -3.186) 3.877 15.625 ( 0.000 -2.209 3.186) 3.877 15.849 ( 0.000 1.439 -0.426) 1.500 15.849 ( 0.000 1.439 0.426) 1.500 16.438 ( 0.000 -2.023 -4.671) 5.090 16.438 ( 0.000 -2.023 4.671) 5.090 17.490 ( 0.000 1.887 -10.561) 10.728 17.490 ( 0.000 1.887 10.561) 10.728 18.794 ( 0.000 -15.080 -0.378) 15.085 18.794 ( 0.000 -15.080 0.378) 15.085 24.049 ( 0.000 14.452 -0.607) 14.465 24.049 ( 0.000 14.452 0.607) 14.465 24.175 ( 0.000 2.034 -1.267) 2.396 24.175 ( 0.000 2.034 1.267) 2.396 24.903 ( 0.000 6.503 -1.869) 6.766 24.903 ( 0.000 6.503 1.869) 6.766 25.263 ( 0.000 -2.458 -3.160) 4.003 25.263 ( 0.000 -2.458 3.160) 4.003 26.622 ( 0.000 -1.460 -0.932) 1.732 26.622 ( 0.000 -1.460 0.932) 1.732 27.864 ( 0.000 -2.028 -13.687) 13.836 27.864 ( 0.000 -2.028 13.687) 13.836 29.554 ( 0.000 -0.801 -0.316) 0.861 29.554 ( 0.000 -0.801 0.316) 0.861 30.632 ( 0.000 -4.009 -12.922) 13.530 30.632 ( 0.000 -4.009 12.922) 13.530 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( 3.083 9.880 -12.652) 16.346 3.768 ( 3.083 9.880 12.652) 16.346 4.196 ( 0.575 2.207 -12.844) 13.045 4.196 ( 0.575 2.207 12.844) 13.045 4.401 ( -0.989 9.969 -3.657) 10.665 4.401 ( -0.989 9.969 3.657) 10.665 4.859 ( -11.269 4.944 -4.462) 13.090 4.859 ( -11.269 4.944 4.462) 13.090 4.968 ( -7.098 15.261 -5.800) 17.802 4.968 ( -7.098 15.261 5.800) 17.802 5.421 ( 4.166 8.536 -5.557) 11.004 5.421 ( 4.166 8.536 5.557) 11.004 5.661 ( 12.183 -4.465 -4.998) 13.905 5.661 ( 12.183 -4.465 4.998) 13.905 6.062 ( 5.042 0.575 -3.418) 6.119 6.062 ( 5.042 0.575 3.418) 6.119 6.652 ( -3.775 -12.847 -4.243) 14.046 6.652 ( -3.775 -12.847 4.243) 14.046 6.983 ( -1.097 -7.257 -9.496) 12.002 6.983 ( -1.097 -7.257 9.496) 12.002 7.208 ( 1.995 -2.890 -3.063) 4.659 7.208 ( 1.995 -2.890 3.063) 4.659 7.410 ( -2.536 4.807 -2.841) 6.133 7.410 ( -2.536 4.807 2.841) 6.133 7.658 ( 1.055 10.562 -2.196) 10.839 7.658 ( 1.055 10.562 2.196) 10.839 7.871 ( -5.747 2.212 -3.330) 7.001 7.871 ( -5.747 2.212 3.330) 7.001 8.110 ( -2.303 8.457 -1.163) 8.842 8.110 ( -2.303 8.457 1.163) 8.842 8.588 ( -8.120 -2.023 -2.799) 8.824 8.588 ( -8.120 -2.023 2.799) 8.824 9.106 ( 14.742 -5.599 -2.637) 15.988 9.106 ( 14.742 -5.599 2.637) 15.988 9.468 ( 6.011 1.307 -6.417) 8.889 9.468 ( 6.011 1.307 6.417) 8.889 9.907 ( 8.827 0.449 -6.759) 11.127 9.907 ( 8.827 0.449 6.759) 11.127 10.057 ( 3.110 4.690 -1.048) 5.724 10.057 ( 3.110 4.690 1.048) 5.724 10.323 ( -0.003 -16.189 -4.571) 16.822 10.323 ( -0.003 -16.189 4.571) 16.822 10.758 ( -0.368 -1.536 -7.870) 8.027 10.758 ( -0.368 -1.536 7.870) 8.027 11.323 ( -16.578 0.574 -8.183) 18.496 11.323 ( -16.578 0.574 8.183) 18.496 11.846 ( -7.244 -5.441 -1.654) 9.210 11.846 ( -7.244 -5.441 1.654) 9.210 13.049 ( 0.506 1.041 -10.516) 10.580 13.049 ( 0.506 1.041 10.516) 10.580 13.407 ( 0.004 -4.671 -2.467) 5.283 13.407 ( 0.004 -4.671 2.467) 5.283 13.522 ( 0.131 -3.632 -1.673) 4.002 13.522 ( 0.131 -3.632 1.673) 4.002 13.982 ( 12.695 6.426 -5.929) 15.415 13.982 ( 12.695 6.426 5.929) 15.415 14.737 ( -2.289 7.266 -8.736) 11.591 14.737 ( -2.289 7.266 8.736) 11.591 15.621 ( -0.316 -2.481 -2.433) 3.489 15.621 ( -0.316 -2.481 2.433) 3.489 15.875 ( 2.759 1.122 -1.015) 3.147 15.875 ( 2.759 1.122 1.015) 3.147 16.363 ( -7.154 -1.581 -3.594) 8.161 16.363 ( -7.154 -1.581 3.594) 8.161 17.510 ( 1.770 1.355 -8.409) 8.700 17.510 ( 1.770 1.355 8.409) 8.700 18.778 ( -1.376 -14.506 -0.933) 14.601 18.778 ( -1.376 -14.506 0.933) 14.601 24.048 ( -0.051 14.424 -0.553) 14.435 24.048 ( -0.051 14.424 0.553) 14.435 24.174 ( -0.045 1.949 -1.045) 2.212 24.174 ( -0.045 1.949 1.045) 2.212 24.904 ( 0.075 6.599 -1.581) 6.786 24.904 ( 0.075 6.599 1.581) 6.786 25.258 ( -0.466 -2.396 -2.629) 3.588 25.258 ( -0.466 -2.396 2.629) 3.588 26.713 ( 9.017 -1.489 -3.439) 9.764 26.713 ( 9.017 -1.489 3.439) 9.764 27.731 ( -12.625 -2.213 -12.658) 18.015 27.731 ( -12.625 -2.213 12.658) 18.015 29.630 ( 6.699 -0.208 -3.409) 7.519 29.630 ( 6.699 -0.208 3.409) 7.519 30.612 ( -1.871 -4.531 -11.134) 12.166 30.612 ( -1.871 -4.531 11.134) 12.166 ======================= Grid point 239 (81/90) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.827 ( 2.185 11.746 -5.949) 13.347 3.827 ( 2.185 11.746 5.949) 13.347 4.218 ( 1.358 0.079 -5.909) 6.064 4.218 ( 1.358 0.079 5.909) 6.064 4.388 ( -0.094 7.887 -2.220) 8.194 4.388 ( -0.094 7.887 2.221) 8.194 4.630 ( -8.567 1.267 -3.265) 9.255 4.630 ( -8.567 1.267 3.265) 9.255 4.895 ( -1.822 21.289 -2.954) 21.570 4.895 ( -1.822 21.289 2.954) 21.570 5.491 ( 2.292 11.784 -2.036) 12.176 5.491 ( 2.292 11.784 2.036) 12.176 5.810 ( 3.195 -12.582 -2.026) 13.139 5.810 ( 3.195 -12.582 2.026) 13.139 6.207 ( 7.466 2.864 -3.633) 8.783 6.207 ( 7.466 2.864 3.633) 8.783 6.556 ( -4.786 -16.709 -3.648) 17.760 6.556 ( -4.786 -16.709 3.648) 17.760 6.988 ( 1.115 -4.902 -3.074) 5.893 6.988 ( 1.115 -4.902 3.074) 5.893 7.237 ( 0.677 3.804 -5.674) 6.864 7.237 ( 0.677 3.804 5.674) 6.864 7.374 ( -1.541 1.971 -3.963) 4.687 7.374 ( -1.541 1.971 3.963) 4.687 7.666 ( 2.114 9.003 -0.154) 9.249 7.666 ( 2.114 9.003 0.154) 9.249 7.771 ( -5.351 4.636 -2.403) 7.477 7.771 ( -5.351 4.636 2.404) 7.477 8.084 ( -0.297 6.355 -0.643) 6.394 8.084 ( -0.297 6.355 0.643) 6.394 8.436 ( -5.265 1.390 -1.315) 5.602 8.436 ( -5.265 1.390 1.315) 5.602 9.282 ( 3.300 -9.284 -1.785) 10.014 9.282 ( 3.300 -9.284 1.785) 10.014 9.638 ( 7.498 5.991 -2.534) 9.926 9.638 ( 7.498 5.991 2.534) 9.926 10.022 ( 1.872 0.196 -0.599) 1.975 10.022 ( 1.872 0.196 0.599) 1.975 10.221 ( 8.458 -6.850 -6.321) 12.587 10.221 ( 8.458 -6.850 6.321) 12.587 10.379 ( 11.991 -6.093 -2.694) 13.717 10.379 ( 11.991 -6.093 2.694) 13.717 10.712 ( -8.432 0.672 -7.622) 11.386 10.712 ( -8.432 0.672 7.622) 11.386 10.938 ( -16.898 -4.063 -12.339) 21.314 10.938 ( -16.898 -4.063 12.339) 21.314 11.732 ( -3.586 -3.785 -0.803) 5.276 11.732 ( -3.586 -3.785 0.803) 5.276 13.060 ( 0.471 0.585 -4.517) 4.579 13.060 ( 0.471 0.585 4.517) 4.579 13.384 ( -1.206 0.662 -1.757) 2.231 13.384 ( -1.206 0.662 1.757) 2.231 13.544 ( 1.018 -9.485 -0.785) 9.572 13.544 ( 1.018 -9.485 0.785) 9.572 14.221 ( 9.193 1.054 -5.588) 10.810 14.221 ( 9.193 1.054 5.588) 10.810 14.675 ( -3.329 12.949 -6.092) 14.693 14.675 ( -3.329 12.949 6.092) 14.693 15.615 ( -0.208 -3.079 -0.863) 3.205 15.615 ( -0.208 -3.079 0.863) 3.205 15.949 ( 4.040 0.604 -0.745) 4.152 15.949 ( 4.040 0.604 0.745) 4.152 16.211 ( -6.785 -0.919 -1.271) 6.964 16.211 ( -6.785 -0.919 1.271) 6.964 17.541 ( 1.014 0.582 -3.165) 3.374 17.541 ( 1.014 0.582 3.165) 3.374 18.754 ( -0.856 -13.566 -0.580) 13.605 18.754 ( -0.856 -13.566 0.580) 13.605 24.048 ( -0.030 14.389 -0.244) 14.391 24.048 ( -0.030 14.389 0.244) 14.391 24.173 ( -0.029 1.803 -0.410) 1.849 24.173 ( -0.029 1.803 0.410) 1.849 24.905 ( 0.049 6.762 -0.645) 6.793 24.905 ( 0.049 6.762 0.645) 6.793 25.250 ( -0.306 -2.310 -1.047) 2.554 25.250 ( -0.306 -2.310 1.047) 2.554 26.928 ( 10.918 -1.320 -4.693) 11.957 26.928 ( 10.918 -1.320 4.693) 11.957 27.457 ( -12.775 -2.671 -7.984) 15.300 27.457 ( -12.775 -2.671 7.984) 15.300 29.749 ( 4.051 0.921 -2.296) 4.747 29.749 ( 4.051 0.921 2.296) 4.747 30.575 ( -1.431 -5.595 -4.825) 7.525 30.575 ( -1.431 -5.595 4.825) 7.525 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.927 ( 0.000 8.189 -0.216) 8.191 3.927 ( 0.000 8.189 0.216) 8.191 4.369 ( 0.000 12.038 -1.109) 12.089 4.369 ( 0.000 12.038 1.109) 12.089 4.644 ( 0.000 9.443 -1.836) 9.620 4.644 ( 0.000 9.443 1.836) 9.620 5.165 ( 0.000 4.938 -2.600) 5.581 5.165 ( 0.000 4.938 2.601) 5.581 5.236 ( 0.000 -0.318 -12.768) 12.772 5.236 ( 0.000 -0.318 12.768) 12.772 5.458 ( 0.000 16.178 -9.320) 18.671 5.458 ( 0.000 16.178 9.320) 18.671 5.718 ( 0.000 10.951 -3.612) 11.532 5.718 ( 0.000 10.951 3.612) 11.532 6.057 ( 0.000 7.651 -1.484) 7.794 6.057 ( 0.000 7.651 1.484) 7.794 6.437 ( 0.000 -12.317 -1.309) 12.387 6.437 ( 0.000 -12.317 1.309) 12.387 6.815 ( 0.000 -9.343 -7.547) 12.010 6.815 ( 0.000 -9.343 7.547) 12.010 7.068 ( 0.000 -4.756 -4.488) 6.539 7.068 ( 0.000 -4.756 4.488) 6.539 7.552 ( 0.000 1.587 -1.280) 2.039 7.552 ( 0.000 1.587 1.280) 2.039 7.804 ( 0.000 8.094 -0.639) 8.119 7.804 ( 0.000 8.094 0.639) 8.119 8.034 ( 0.000 6.790 -4.912) 8.380 8.034 ( 0.000 6.790 4.912) 8.380 8.326 ( 0.000 5.547 -1.978) 5.890 8.326 ( 0.000 5.547 1.978) 5.890 8.526 ( 0.000 -6.234 -1.341) 6.377 8.526 ( 0.000 -6.234 1.341) 6.377 8.889 ( 0.000 -1.253 -4.934) 5.090 8.889 ( 0.000 -1.253 4.934) 5.090 9.440 ( 0.000 1.929 -9.119) 9.321 9.440 ( 0.000 1.929 9.119) 9.321 9.810 ( 0.000 -5.897 -8.476) 10.326 9.810 ( 0.000 -5.897 8.476) 10.326 9.967 ( 0.000 -10.869 -1.947) 11.042 9.967 ( 0.000 -10.869 1.947) 11.042 10.171 ( 0.000 8.681 -0.740) 8.713 10.171 ( 0.000 8.681 0.740) 8.713 10.683 ( 0.000 -5.359 -8.319) 9.896 10.683 ( 0.000 -5.359 8.319) 9.896 11.504 ( 0.000 -0.542 -2.715) 2.768 11.504 ( 0.000 -0.542 2.715) 2.768 11.694 ( 0.000 -15.713 -0.069) 15.713 11.694 ( 0.000 -15.713 0.069) 15.713 13.082 ( 0.000 2.275 -6.842) 7.210 13.082 ( 0.000 2.275 6.842) 7.210 13.283 ( 0.000 -0.467 -1.236) 1.321 13.283 ( 0.000 -0.467 1.236) 1.321 13.601 ( 0.000 3.129 -2.657) 4.105 13.601 ( 0.000 3.129 2.657) 4.105 13.952 ( 0.000 3.272 -1.967) 3.818 13.952 ( 0.000 3.272 1.967) 3.818 14.850 ( 0.000 2.280 -8.294) 8.602 14.850 ( 0.000 2.280 8.294) 8.602 15.573 ( 0.000 -2.379 -4.291) 4.907 15.573 ( 0.000 -2.379 4.291) 4.907 15.901 ( 0.000 3.552 -2.128) 4.141 15.901 ( 0.000 3.552 2.128) 4.141 16.389 ( 0.000 -2.254 -3.760) 4.383 16.389 ( 0.000 -2.254 3.760) 4.383 17.541 ( 0.000 2.774 -7.147) 7.666 17.541 ( 0.000 2.774 7.147) 7.666 18.405 ( 0.000 -20.137 -3.383) 20.419 18.405 ( 0.000 -20.137 3.383) 20.419 24.249 ( 0.000 5.225 -1.508) 5.438 24.249 ( 0.000 5.225 1.508) 5.438 24.414 ( 0.000 17.965 -0.597) 17.975 24.414 ( 0.000 17.965 0.597) 17.975 25.036 ( 0.000 3.360 -3.503) 4.854 25.036 ( 0.000 3.360 3.503) 4.854 25.217 ( 0.000 0.070 -2.420) 2.421 25.217 ( 0.000 0.070 2.420) 2.421 26.584 ( 0.000 -1.937 -0.773) 2.085 26.584 ( 0.000 -1.937 0.773) 2.085 27.807 ( 0.000 -3.222 -11.026) 11.487 27.807 ( 0.000 -3.222 11.026) 11.487 29.534 ( 0.000 -1.017 -0.327) 1.068 29.534 ( 0.000 -1.017 0.327) 1.068 30.527 ( 0.000 -5.437 -9.495) 10.942 30.527 ( 0.000 -5.437 9.495) 10.942 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( 4.887 8.390 -0.859) 9.747 3.975 ( 4.887 8.390 0.859) 9.747 4.349 ( -2.110 11.545 -6.364) 13.351 4.349 ( -2.110 11.545 6.364) 13.351 4.615 ( -2.444 8.853 -3.056) 9.679 4.615 ( -2.444 8.853 3.056) 9.679 4.926 ( -14.121 4.662 -5.050) 15.705 4.926 ( -14.121 4.662 5.050) 15.705 5.376 ( 3.182 9.144 -6.722) 11.787 5.376 ( 3.182 9.144 6.722) 11.787 5.478 ( 2.829 5.516 -9.660) 11.478 5.478 ( 2.829 5.515 9.660) 11.478 5.791 ( 6.026 15.188 -4.284) 16.892 5.791 ( 6.026 15.188 4.284) 16.892 6.059 ( 0.926 -0.053 -3.690) 3.805 6.059 ( 0.926 -0.053 3.690) 3.805 6.371 ( -5.449 -11.220 -2.786) 12.780 6.371 ( -5.449 -11.220 2.786) 12.780 6.846 ( 3.165 -6.009 -4.808) 8.322 6.846 ( 3.165 -6.009 4.808) 8.322 7.131 ( 5.549 -3.940 -2.819) 7.366 7.131 ( 5.549 -3.940 2.819) 7.366 7.476 ( -3.979 1.739 -2.825) 5.180 7.476 ( -3.979 1.739 2.825) 5.180 7.822 ( -3.106 4.231 -1.210) 5.386 7.822 ( -3.106 4.231 1.210) 5.386 8.019 ( 0.574 11.370 -4.272) 12.160 8.019 ( 0.574 11.370 4.272) 12.160 8.269 ( -4.363 4.588 -4.381) 7.700 8.269 ( -4.363 4.588 4.381) 7.700 8.547 ( -0.634 -1.802 -1.258) 2.287 8.547 ( -0.634 -1.802 1.258) 2.287 8.999 ( 9.527 -2.677 -0.145) 9.897 8.999 ( 9.527 -2.677 0.145) 9.897 9.487 ( 6.793 -0.347 -7.991) 10.494 9.487 ( 6.793 -0.347 7.991) 10.494 9.850 ( 2.875 -11.558 -8.153) 14.434 9.850 ( 2.875 -11.558 8.153) 14.434 10.012 ( 4.208 -4.853 -1.502) 6.597 10.012 ( 4.208 -4.853 1.502) 6.597 10.205 ( 4.347 8.547 -2.664) 9.952 10.205 ( 4.347 8.547 2.664) 9.952 10.674 ( -0.923 -5.910 -6.909) 9.138 10.674 ( -0.923 -5.910 6.909) 9.138 11.307 ( -18.891 -3.165 -5.013) 19.800 11.307 ( -18.891 -3.165 5.013) 19.800 11.657 ( -3.803 -11.826 -1.133) 12.475 11.657 ( -3.803 -11.826 1.133) 12.475 13.077 ( -0.295 2.108 -5.684) 6.069 13.077 ( -0.295 2.108 5.684) 6.069 13.318 ( 3.131 -0.457 -1.590) 3.541 13.318 ( 3.131 -0.457 1.590) 3.541 13.542 ( -4.475 2.503 -0.379) 5.141 13.542 ( -4.475 2.503 0.379) 5.141 14.052 ( 7.790 -0.351 -3.932) 8.733 14.052 ( 7.790 -0.351 3.932) 8.733 14.882 ( 3.229 5.426 -7.698) 9.957 14.882 ( 3.229 5.426 7.698) 9.957 15.566 ( -0.921 -2.424 -3.150) 4.080 15.566 ( -0.921 -2.424 3.150) 4.080 15.913 ( 1.594 2.576 -1.653) 3.451 15.913 ( 1.594 2.576 1.653) 3.451 16.326 ( -6.134 -1.655 -2.974) 7.015 16.326 ( -6.134 -1.655 2.974) 7.015 17.549 ( 0.699 2.264 -5.572) 6.055 17.549 ( 0.699 2.264 5.572) 6.055 18.405 ( 0.020 -19.333 -2.727) 19.524 18.405 ( 0.020 -19.333 2.727) 19.524 24.247 ( -0.098 5.226 -1.203) 5.364 24.247 ( -0.098 5.226 1.203) 5.364 24.407 ( -0.600 17.271 -0.674) 17.295 24.407 ( -0.600 17.271 0.674) 17.295 25.048 ( 1.099 4.737 -3.053) 5.741 25.048 ( 1.099 4.737 3.053) 5.741 25.209 ( -0.759 -0.526 -2.127) 2.319 25.209 ( -0.759 -0.526 2.127) 2.319 26.675 ( 9.056 -1.915 -2.830) 9.679 26.675 ( 9.056 -1.915 2.830) 9.679 27.669 ( -13.116 -3.511 -10.222) 16.995 27.669 ( -13.116 -3.511 10.222) 16.995 29.627 ( 8.337 -0.064 -2.994) 8.859 29.627 ( 8.337 -0.064 2.994) 8.859 30.492 ( -3.395 -6.320 -8.484) 11.111 30.492 ( -3.395 -6.320 8.484) 11.111 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.099 ( 6.804 11.256 -2.599) 13.407 4.099 ( 6.804 11.256 2.599) 13.407 4.287 ( -4.104 7.342 -7.014) 10.952 4.287 ( -4.104 7.342 7.014) 10.952 4.579 ( -0.812 8.737 -2.556) 9.139 4.579 ( -0.812 8.737 2.556) 9.139 4.697 ( -7.861 6.068 -2.217) 10.175 4.697 ( -7.861 6.068 2.217) 10.175 5.387 ( -0.237 21.266 -1.682) 21.334 5.387 ( -0.237 21.266 1.682) 21.334 5.529 ( 1.572 -11.330 -4.373) 12.246 5.529 ( 1.572 -11.330 4.373) 12.246 5.858 ( 0.730 19.359 -1.065) 19.402 5.858 ( 0.730 19.359 1.065) 19.402 6.122 ( 4.485 -11.837 -6.975) 14.452 6.122 ( 4.485 -11.837 6.975) 14.452 6.272 ( -4.243 -5.446 -4.765) 8.388 6.272 ( -4.243 -5.446 4.765) 8.388 6.912 ( 2.496 -2.823 -0.479) 3.798 6.912 ( 2.496 -2.823 0.479) 3.798 7.253 ( 6.187 -1.122 -1.928) 6.577 7.253 ( 6.187 -1.122 1.928) 6.577 7.428 ( -2.351 2.634 -2.857) 4.542 7.428 ( -2.351 2.634 2.857) 4.542 7.766 ( 0.455 3.183 -2.140) 3.862 7.766 ( 0.455 3.183 2.140) 3.862 7.940 ( -8.146 6.346 -1.000) 10.374 7.940 ( -8.146 6.346 1.000) 10.374 8.251 ( 1.742 8.717 -2.393) 9.206 8.251 ( 1.742 8.717 2.393) 9.206 8.501 ( -2.554 4.386 -1.154) 5.205 8.501 ( -2.554 4.386 1.154) 5.205 9.121 ( 2.516 -4.288 -1.389) 5.162 9.121 ( 2.516 -4.288 1.389) 5.162 9.694 ( 9.755 -1.014 -3.781) 10.511 9.694 ( 9.755 -1.014 3.781) 10.511 9.889 ( 1.048 -17.876 -3.500) 18.246 9.889 ( 1.048 -17.876 3.500) 18.246 10.083 ( 2.303 4.244 -1.021) 4.935 10.083 ( 2.303 4.244 1.021) 4.935 10.395 ( 16.479 3.315 -7.179) 18.277 10.395 ( 16.479 3.315 7.179) 18.277 10.654 ( -0.889 -6.893 -4.243) 8.143 10.654 ( -0.889 -6.893 4.243) 8.143 10.857 ( -25.351 -2.418 -9.062) 27.030 10.857 ( -25.351 -2.418 9.062) 27.030 11.582 ( -2.754 -10.328 -0.730) 10.714 11.582 ( -2.754 -10.328 0.730) 10.714 13.074 ( -0.063 1.692 -2.264) 2.827 13.074 ( -0.063 1.692 2.264) 2.827 13.385 ( 3.560 0.527 -1.809) 4.028 13.385 ( 3.560 0.527 1.809) 4.028 13.461 ( -3.822 1.021 -1.463) 4.218 13.461 ( -3.822 1.021 1.463) 4.218 14.171 ( 3.508 -6.519 -2.210) 7.726 14.171 ( 3.508 -6.519 2.210) 7.726 14.953 ( 2.935 11.959 -3.680) 12.852 14.953 ( 2.935 11.959 3.680) 12.852 15.539 ( -1.325 -3.823 -1.116) 4.197 15.539 ( -1.325 -3.823 1.116) 4.197 15.969 ( 3.576 1.437 -0.760) 3.928 15.969 ( 3.576 1.437 0.760) 3.928 16.191 ( -6.244 -0.787 -1.069) 6.384 16.191 ( -6.244 -0.787 1.069) 6.384 17.561 ( 0.428 1.537 -2.013) 2.568 17.561 ( 0.428 1.537 2.013) 2.568 18.405 ( 0.004 -18.065 -1.037) 18.095 18.405 ( 0.004 -18.065 1.037) 18.095 24.246 ( -0.045 5.224 -0.451) 5.243 24.246 ( -0.045 5.224 0.451) 5.243 24.396 ( -0.372 16.228 -0.327) 16.236 24.396 ( -0.372 16.228 0.327) 16.236 25.069 ( 0.814 7.568 -1.380) 7.736 25.069 ( 0.814 7.568 1.380) 7.736 25.193 ( -0.639 -2.178 -1.001) 2.481 25.193 ( -0.639 -2.178 1.001) 2.481 26.898 ( 11.905 -1.306 -4.184) 12.686 26.898 ( 11.905 -1.306 4.184) 12.686 27.379 ( -13.990 -4.481 -6.814) 16.194 27.379 ( -13.990 -4.481 6.814) 16.194 29.781 ( 5.609 2.229 -2.332) 6.470 29.781 ( 5.609 2.229 2.332) 6.470 30.421 ( -2.960 -8.559 -4.106) 9.944 30.421 ( -2.960 -8.559 4.106) 9.944 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.077 ( 0.000 6.015 -5.800) 8.356 4.077 ( 0.000 6.015 5.800) 8.356 4.598 ( 0.000 7.427 -9.253) 11.865 4.598 ( 0.000 7.427 9.253) 11.865 4.761 ( 0.000 2.393 -0.221) 2.403 4.761 ( 0.000 2.393 0.221) 2.403 5.186 ( 0.000 -1.297 -6.156) 6.291 5.186 ( 0.000 -1.297 6.156) 6.291 5.326 ( 0.000 8.207 -0.841) 8.250 5.326 ( 0.000 8.207 0.841) 8.250 5.748 ( 0.000 6.747 -1.579) 6.929 5.748 ( 0.000 6.747 1.579) 6.929 5.840 ( 0.000 4.849 -0.553) 4.881 5.840 ( 0.000 4.849 0.553) 4.881 6.225 ( 0.000 -6.241 -2.021) 6.560 6.225 ( 0.000 -6.241 2.021) 6.560 6.347 ( 0.000 12.006 -10.447) 15.915 6.347 ( 0.000 12.006 10.447) 15.915 6.643 ( 0.000 -4.465 -0.554) 4.500 6.643 ( 0.000 -4.465 0.554) 4.500 6.988 ( 0.000 -2.616 -5.000) 5.643 6.988 ( 0.000 -2.616 5.000) 5.643 7.581 ( 0.000 2.338 -1.310) 2.680 7.581 ( 0.000 2.338 1.310) 2.680 7.890 ( 0.000 0.107 -0.048) 0.117 7.890 ( 0.000 0.107 0.048) 0.117 8.211 ( 0.000 8.161 -2.009) 8.405 8.211 ( 0.000 8.161 2.009) 8.405 8.319 ( 0.000 -5.082 -2.348) 5.598 8.319 ( 0.000 -5.082 2.348) 5.598 8.453 ( 0.000 -0.879 -2.769) 2.905 8.453 ( 0.000 -0.879 2.769) 2.905 8.901 ( 0.000 2.647 -3.822) 4.649 8.901 ( 0.000 2.647 3.822) 4.649 9.400 ( 0.000 -5.804 -3.875) 6.979 9.400 ( 0.000 -5.804 3.875) 6.978 9.548 ( 0.000 -11.471 -4.971) 12.502 9.548 ( 0.000 -11.471 4.971) 12.502 10.049 ( 0.000 11.955 -0.528) 11.967 10.049 ( 0.000 11.955 0.528) 11.967 10.369 ( 0.000 7.984 -2.434) 8.347 10.369 ( 0.000 7.984 2.434) 8.347 10.571 ( 0.000 -2.659 -8.106) 8.531 10.571 ( 0.000 -2.659 8.106) 8.531 11.255 ( 0.000 -21.596 -0.119) 21.597 11.255 ( 0.000 -21.596 0.119) 21.597 11.514 ( 0.000 -1.673 -0.420) 1.725 11.514 ( 0.000 -1.673 0.420) 1.725 13.164 ( 0.000 5.653 -2.970) 6.386 13.164 ( 0.000 5.653 2.970) 6.386 13.341 ( 0.000 4.016 -0.952) 4.127 13.341 ( 0.000 4.016 0.952) 4.127 13.637 ( 0.000 0.679 -2.716) 2.799 13.637 ( 0.000 0.679 2.716) 2.799 13.961 ( 0.000 -2.485 -2.067) 3.232 13.961 ( 0.000 -2.485 2.067) 3.232 14.859 ( 0.000 -0.506 -6.318) 6.338 14.859 ( 0.000 -0.506 6.318) 6.338 15.531 ( 0.000 -1.570 -3.512) 3.848 15.531 ( 0.000 -1.570 3.512) 3.848 15.984 ( 0.000 3.683 -2.932) 4.707 15.984 ( 0.000 3.683 2.932) 4.707 16.356 ( 0.000 -0.811 -2.291) 2.431 16.356 ( 0.000 -0.811 2.291) 2.431 17.605 ( 0.000 3.517 -2.252) 4.176 17.605 ( 0.000 3.517 2.252) 4.176 18.016 ( 0.000 -15.617 -4.634) 16.290 18.016 ( 0.000 -15.617 4.634) 16.290 24.378 ( 0.000 6.443 -2.393) 6.873 24.378 ( 0.000 6.443 2.393) 6.873 24.724 ( 0.000 9.751 -0.584) 9.768 24.724 ( 0.000 9.751 0.584) 9.768 24.998 ( 0.000 -3.633 -2.894) 4.644 24.998 ( 0.000 -3.633 2.894) 4.644 25.301 ( 0.000 5.127 -1.558) 5.359 25.301 ( 0.000 5.127 1.558) 5.359 26.549 ( 0.000 -1.279 -0.522) 1.382 26.549 ( 0.000 -1.279 0.522) 1.382 27.742 ( 0.000 -2.602 -6.320) 6.835 27.742 ( 0.000 -2.602 6.320) 6.835 29.516 ( 0.000 -0.650 -0.492) 0.815 29.516 ( 0.000 -0.650 0.493) 0.815 30.427 ( 0.000 -3.679 -4.964) 6.178 30.427 ( 0.000 -3.679 4.964) 6.178 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.122 ( 4.870 5.808 -5.065) 9.116 4.122 ( 4.870 5.808 5.065) 9.116 4.582 ( -2.324 7.901 -11.453) 14.106 4.582 ( -2.324 7.901 11.453) 14.106 4.725 ( -2.617 2.906 -3.818) 5.465 4.725 ( -2.617 2.906 3.818) 5.465 5.072 ( -9.790 6.526 -6.164) 13.283 5.072 ( -9.790 6.526 6.164) 13.283 5.328 ( -0.716 -0.770 -10.498) 10.551 5.328 ( -0.716 -0.770 10.498) 10.551 5.710 ( -2.927 1.920 -7.533) 8.307 5.710 ( -2.927 1.920 7.533) 8.307 5.861 ( -0.762 -1.354 -7.621) 7.778 5.861 ( -0.762 -1.354 7.621) 7.778 6.172 ( -1.153 1.334 -3.289) 3.732 6.172 ( -1.153 1.334 3.289) 3.732 6.389 ( 2.912 15.694 -2.074) 16.096 6.389 ( 2.912 15.694 2.074) 16.096 6.734 ( 7.726 -4.035 -4.051) 9.611 6.734 ( 7.726 -4.035 4.051) 9.611 7.048 ( 6.152 -3.861 -4.476) 8.531 7.048 ( 6.152 -3.861 4.476) 8.531 7.536 ( -2.612 5.142 -4.042) 7.042 7.536 ( -2.612 5.142 4.042) 7.043 7.841 ( -4.306 -2.165 -2.974) 5.664 7.841 ( -4.306 -2.165 2.974) 5.664 8.209 ( -6.623 0.488 -6.535) 9.317 8.209 ( -6.623 0.488 6.535) 9.317 8.334 ( 3.003 6.396 -6.098) 9.333 8.334 ( 3.003 6.396 6.098) 9.333 8.492 ( 4.290 -2.846 -1.488) 5.359 8.492 ( 4.290 -2.846 1.488) 5.359 9.023 ( 11.930 3.114 -2.372) 12.556 9.023 ( 11.930 3.114 2.372) 12.556 9.412 ( 2.566 -5.716 -2.351) 6.693 9.412 ( 2.566 -5.716 2.351) 6.693 9.572 ( 2.124 -9.668 -2.831) 10.296 9.572 ( 2.124 -9.668 2.831) 10.296 10.090 ( 4.009 8.368 -2.939) 9.733 10.090 ( 4.009 8.368 2.939) 9.733 10.385 ( 1.415 5.512 -4.271) 7.115 10.385 ( 1.415 5.512 4.272) 7.115 10.554 ( -1.723 -2.095 -6.683) 7.212 10.554 ( -1.723 -2.095 6.683) 7.212 11.116 ( -13.307 -15.440 -4.260) 20.824 11.116 ( -13.307 -15.440 4.260) 20.824 11.452 ( -5.837 -5.689 -1.861) 8.361 11.452 ( -5.837 -5.689 1.861) 8.361 13.175 ( 1.120 7.304 -2.513) 7.805 13.175 ( 1.120 7.304 2.513) 7.805 13.374 ( 2.950 3.923 -1.264) 5.068 13.374 ( 2.950 3.923 1.264) 5.068 13.583 ( -4.641 1.558 -1.028) 5.002 13.583 ( -4.641 1.558 1.028) 5.002 13.958 ( -0.602 -8.086 -2.237) 8.411 13.958 ( -0.602 -8.086 2.237) 8.411 14.955 ( 8.995 1.834 -5.245) 10.573 14.955 ( 8.995 1.834 5.245) 10.573 15.524 ( -1.262 -1.504 -2.706) 3.343 15.524 ( -1.262 -1.504 2.706) 3.343 15.977 ( -0.041 3.018 -2.487) 3.911 15.977 ( -0.041 3.018 2.487) 3.911 16.302 ( -5.304 -0.576 -1.915) 5.668 16.302 ( -5.304 -0.576 1.915) 5.668 17.611 ( 0.524 3.957 -1.657) 4.322 17.611 ( 0.524 3.957 1.657) 4.322 18.028 ( 1.038 -15.537 -3.681) 16.001 18.028 ( 1.038 -15.537 3.681) 16.001 24.380 ( 0.222 6.820 -2.016) 7.116 24.380 ( 0.222 6.820 2.016) 7.116 24.678 ( -3.629 6.477 -0.783) 7.466 24.678 ( -3.629 6.477 0.783) 7.466 25.056 ( 4.871 -0.515 -2.491) 5.495 25.056 ( 4.871 -0.515 2.491) 5.495 25.285 ( -1.676 4.961 -1.470) 5.439 25.285 ( -1.676 4.961 1.470) 5.439 26.641 ( 9.296 -1.172 -1.741) 9.530 26.641 ( 9.296 -1.172 1.741) 9.530 27.598 ( -13.732 -2.853 -5.905) 15.218 27.598 ( -13.732 -2.853 5.905) 15.218 29.628 ( 10.391 0.148 -1.937) 10.571 29.628 ( 10.391 0.148 1.937) 10.571 30.373 ( -5.380 -4.447 -4.675) 8.401 30.373 ( -5.380 -4.447 4.675) 8.401 ======================= Grid point 259 (87/90) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.269 ( 10.111 6.142 -2.102) 12.016 4.269 ( 10.111 6.142 2.102) 12.016 4.471 ( -9.314 7.433 -5.991) 13.338 4.471 ( -9.314 7.433 5.991) 13.338 4.717 ( 1.938 4.795 -1.123) 5.292 4.717 ( 1.938 4.795 1.123) 5.292 4.873 ( -8.593 7.532 -4.850) 12.413 4.873 ( -8.593 7.532 4.850) 12.413 5.309 ( -0.709 -5.588 -4.291) 7.081 5.309 ( -0.709 -5.588 4.291) 7.081 5.657 ( -1.763 -6.556 -3.902) 7.831 5.657 ( -1.763 -6.556 3.902) 7.831 5.841 ( -0.454 4.013 -2.235) 4.616 5.841 ( -0.454 4.013 2.235) 4.616 6.170 ( -0.028 -3.642 -1.118) 3.810 6.170 ( -0.028 -3.642 1.118) 3.810 6.435 ( 1.412 22.663 -0.255) 22.709 6.435 ( 1.412 22.663 0.255) 22.709 6.853 ( 3.068 -2.898 -0.949) 4.326 6.853 ( 3.068 -2.898 0.949) 4.326 7.228 ( 10.606 -0.400 -4.766) 11.635 7.228 ( 10.606 -0.400 4.766) 11.635 7.495 ( -2.864 3.859 -5.709) 7.462 7.495 ( -2.864 3.859 5.709) 7.462 7.797 ( 1.972 -0.736 -3.235) 3.860 7.797 ( 1.972 -0.736 3.235) 3.860 7.987 ( -12.826 -0.910 -2.033) 13.018 7.987 ( -12.826 -0.910 2.033) 13.018 8.398 ( 2.257 4.146 -1.066) 4.840 8.398 ( 2.257 4.146 1.066) 4.840 8.546 ( 1.026 -1.399 -1.196) 2.107 8.546 ( 1.026 -1.399 1.196) 2.107 9.190 ( 2.811 10.808 -0.620) 11.185 9.190 ( 2.811 10.808 0.620) 11.185 9.542 ( 4.984 -11.020 -2.420) 12.334 9.542 ( 4.984 -11.020 2.420) 12.334 9.656 ( 9.111 -3.113 -4.341) 10.561 9.656 ( 9.111 -3.113 4.341) 10.561 10.186 ( 6.145 2.206 -6.615) 9.295 10.186 ( 6.145 2.206 6.615) 9.295 10.362 ( -6.862 -7.649 -8.542) 13.363 10.362 ( -6.862 -7.649 8.542) 13.363 10.523 ( -0.278 -2.621 -4.813) 5.487 10.523 ( -0.278 -2.621 4.813) 5.487 10.854 ( -9.435 2.823 -6.524) 11.813 10.854 ( -9.435 2.823 6.524) 11.813 11.336 ( -4.509 -11.844 -1.712) 12.789 11.336 ( -4.509 -11.844 1.712) 12.789 13.198 ( 0.914 10.671 -1.071) 10.763 13.198 ( 0.914 10.671 1.071) 10.763 13.434 ( 2.893 3.147 -1.151) 4.426 13.434 ( 2.893 3.147 1.151) 4.426 13.497 ( -3.670 1.768 -0.906) 4.174 13.497 ( -3.670 1.768 0.906) 4.174 13.941 ( -0.730 -14.782 -1.147) 14.844 13.941 ( -0.730 -14.782 1.147) 14.844 15.145 ( 8.532 6.228 -2.781) 10.923 15.145 ( 8.532 6.228 2.781) 10.923 15.463 ( -4.473 -3.287 -1.555) 5.764 15.463 ( -4.473 -3.287 1.555) 5.764 16.012 ( 3.518 2.488 -1.171) 4.465 16.012 ( 3.518 2.488 1.171) 4.465 16.179 ( -6.295 -0.523 -0.877) 6.377 16.179 ( -6.295 -0.523 0.877) 6.377 17.621 ( 0.359 4.620 -0.556) 4.667 17.621 ( 0.359 4.620 0.556) 4.667 18.046 ( 0.598 -15.405 -1.371) 15.478 18.046 ( 0.598 -15.405 1.371) 15.478 24.385 ( 0.213 7.646 -0.843) 7.696 24.385 ( 0.213 7.646 0.843) 7.696 24.621 ( -1.796 3.385 -0.402) 3.853 24.621 ( -1.796 3.385 0.402) 3.853 25.151 ( 4.505 2.308 -1.714) 5.344 25.151 ( 4.505 2.308 1.714) 5.344 25.238 ( -3.079 4.491 -1.312) 5.601 25.238 ( -3.079 4.491 1.312) 5.601 26.882 ( 14.346 -0.110 -2.984) 14.654 26.882 ( 14.346 -0.110 2.984) 14.654 27.284 ( -16.623 -4.109 -4.458) 17.694 27.284 ( -16.623 -4.109 4.458) 17.694 29.842 ( 9.249 3.333 -2.112) 10.055 29.842 ( 9.249 3.333 2.112) 10.055 30.243 ( -6.593 -7.619 -2.991) 10.510 30.243 ( -6.593 -7.619 2.991) 10.510 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.150 ( 0.000 0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.778 ( 0.000 -0.000 0.000) 0.000 5.778 ( 0.000 0.000 0.000) 0.000 5.916 ( 0.000 -0.000 0.000) 0.000 5.916 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 -0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.380 ( 0.000 -0.000 0.000) 0.000 6.380 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.965 ( 0.000 -0.000 0.000) 0.000 6.965 ( 0.000 0.000 0.000) 0.000 7.633 ( 0.000 0.000 0.000) 0.000 7.633 ( 0.000 0.000 0.000) 0.000 7.870 ( 0.000 -0.000 0.000) 0.000 7.870 ( 0.000 0.000 0.000) 0.000 8.228 ( 0.000 0.000 0.000) 0.000 8.228 ( 0.000 0.000 0.000) 0.000 8.335 ( 0.000 -0.000 0.000) 0.000 8.335 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 -0.000 -0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 8.961 ( 0.000 0.000 0.000) 0.000 8.961 ( 0.000 0.000 0.000) 0.000 9.321 ( 0.000 0.000 0.000) 0.000 9.321 ( 0.000 -0.000 0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 10.286 ( 0.000 -0.000 0.000) 0.000 10.286 ( 0.000 0.000 0.000) 0.000 10.321 ( 0.000 -0.000 0.000) 0.000 10.321 ( 0.000 0.000 0.000) 0.000 10.766 ( 0.000 -0.000 0.000) 0.000 10.766 ( 0.000 0.000 0.000) 0.000 10.832 ( 0.000 -0.000 0.000) 0.000 10.832 ( 0.000 0.000 0.000) 0.000 11.494 ( 0.000 0.000 0.000) 0.000 11.494 ( 0.000 0.000 0.000) 0.000 13.258 ( 0.000 0.000 0.000) 0.000 13.258 ( 0.000 0.000 0.000) 0.000 13.373 ( 0.000 -0.000 0.000) 0.000 13.373 ( 0.000 0.000 0.000) 0.000 13.659 ( 0.000 -0.000 0.000) 0.000 13.659 ( 0.000 0.000 0.000) 0.000 13.903 ( 0.000 0.000 0.000) 0.000 13.903 ( 0.000 0.000 0.000) 0.000 14.853 ( 0.000 0.000 0.000) 0.000 14.853 ( 0.000 0.000 0.000) 0.000 15.513 ( 0.000 0.000 0.000) 0.000 15.513 ( 0.000 0.000 0.000) 0.000 16.027 ( 0.000 0.000 0.000) 0.000 16.027 ( 0.000 0.000 0.000) 0.000 16.350 ( 0.000 -0.000 0.000) 0.000 16.350 ( 0.000 0.000 0.000) 0.000 17.674 ( 0.000 0.000 0.000) 0.000 17.674 ( 0.000 0.000 0.000) 0.000 17.812 ( 0.000 0.000 0.000) 0.000 17.812 ( 0.000 0.000 0.000) 0.000 24.464 ( 0.000 0.000 0.000) 0.000 24.464 ( 0.000 0.000 0.000) 0.000 24.798 ( 0.000 0.000 0.000) 0.000 24.798 ( 0.000 0.000 0.000) 0.000 24.973 ( 0.000 0.000 0.000) 0.000 24.973 ( 0.000 0.000 0.000) 0.000 25.361 ( 0.000 0.000 0.000) 0.000 25.361 ( 0.000 0.000 0.000) 0.000 26.535 ( 0.000 0.000 0.000) 0.000 26.535 ( 0.000 0.000 0.000) 0.000 27.712 ( 0.000 0.000 0.000) 0.000 27.712 ( 0.000 0.000 0.000) 0.000 29.509 ( 0.000 -0.000 0.000) 0.000 29.509 ( 0.000 0.000 0.000) 0.000 30.386 ( 0.000 -0.000 0.000) 0.000 30.386 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.193 ( 4.829 0.000 0.000) 4.829 4.193 ( 4.829 0.000 0.000) 4.829 4.635 ( -1.996 0.000 0.000) 1.996 4.635 ( -1.996 0.000 0.000) 1.996 4.789 ( -0.925 -0.000 0.000) 0.925 4.789 ( -0.925 0.000 0.000) 0.925 5.103 ( -7.295 0.000 0.000) 7.295 5.103 ( -7.295 0.000 0.000) 7.295 5.402 ( -2.566 0.000 0.000) 2.566 5.402 ( -2.566 0.000 0.000) 2.566 5.604 ( -13.215 0.000 0.000) 13.215 5.604 ( -13.215 0.000 0.000) 13.215 5.919 ( 1.575 0.000 0.000) 1.575 5.919 ( 1.575 0.000 0.000) 1.575 6.169 ( -3.082 0.000 0.000) 3.082 6.169 ( -3.082 0.000 0.000) 3.082 6.585 ( 15.962 -0.000 0.000) 15.962 6.585 ( 15.962 0.000 0.000) 15.962 6.712 ( 3.030 0.000 0.000) 3.030 6.712 ( 3.030 0.000 0.000) 3.030 6.991 ( 4.430 -0.000 0.000) 4.430 6.991 ( 4.430 0.000 0.000) 4.430 7.661 ( 2.994 -0.000 0.000) 2.994 7.661 ( 2.994 0.000 0.000) 2.994 7.764 ( -8.614 -0.000 0.000) 8.614 7.764 ( -8.614 0.000 0.000) 8.614 8.162 ( -6.345 0.000 0.000) 6.345 8.162 ( -6.345 0.000 0.000) 6.345 8.431 ( 1.341 -0.000 0.000) 1.341 8.431 ( 1.341 0.000 0.000) 1.341 8.460 ( 4.561 -0.000 -0.000) 4.561 8.460 ( 4.561 0.000 0.000) 4.561 9.050 ( 14.528 0.000 0.000) 14.528 9.050 ( 14.528 0.000 0.000) 14.528 9.410 ( 7.016 -0.000 -0.000) 7.016 9.410 ( 7.016 -0.000 0.000) 7.016 9.414 ( 0.656 0.000 0.000) 0.656 9.414 ( 0.656 0.000 0.000) 0.656 10.282 ( -4.535 -0.000 0.000) 4.535 10.282 ( -4.535 0.000 0.000) 4.535 10.297 ( 1.389 -0.000 0.000) 1.389 10.297 ( 1.389 0.000 0.000) 1.389 10.715 ( -11.492 -0.000 0.000) 11.492 10.715 ( -11.492 0.000 0.000) 11.492 10.799 ( 3.887 -0.000 0.000) 3.887 10.799 ( 3.887 0.000 0.000) 3.887 11.397 ( -9.504 -0.000 0.000) 9.504 11.397 ( -9.504 0.000 0.000) 9.504 13.302 ( 4.386 -0.000 0.000) 4.386 13.302 ( 4.386 0.000 0.000) 4.386 13.399 ( 2.493 -0.000 0.000) 2.493 13.399 ( 2.493 0.000 0.000) 2.493 13.635 ( -2.296 -0.000 0.000) 2.296 13.635 ( -2.296 0.000 0.000) 2.296 13.809 ( -8.368 0.000 0.000) 8.368 13.809 ( -8.368 0.000 0.000) 8.368 14.973 ( 10.967 0.000 0.000) 10.967 14.973 ( 10.967 0.000 0.000) 10.967 15.507 ( -1.378 0.000 0.000) 1.378 15.507 ( -1.378 0.000 0.000) 1.378 16.014 ( -0.549 0.000 0.000) 0.549 16.014 ( -0.549 0.000 0.000) 0.549 16.297 ( -5.199 0.000 0.000) 5.199 16.297 ( -5.199 0.000 0.000) 5.199 17.700 ( 2.455 0.000 0.000) 2.455 17.700 ( 2.455 0.000 0.000) 2.455 17.811 ( -0.299 0.000 0.000) 0.299 17.811 ( -0.299 0.000 0.000) 0.299 24.476 ( 1.258 0.000 0.000) 1.258 24.476 ( 1.258 0.000 0.000) 1.258 24.708 ( -6.461 0.000 0.000) 6.461 24.708 ( -6.461 0.000 0.000) 6.461 25.068 ( 6.943 0.000 0.000) 6.943 25.068 ( 6.943 0.000 0.000) 6.943 25.343 ( -1.905 0.000 0.000) 1.905 25.343 ( -1.905 0.000 0.000) 1.905 26.628 ( 9.500 0.000 0.000) 9.500 26.628 ( 9.500 0.000 0.000) 9.500 27.565 ( -14.055 -0.000 0.000) 14.055 27.565 ( -14.055 0.000 0.000) 14.055 29.630 ( 11.434 -0.000 0.000) 11.434 29.630 ( 11.434 0.000 0.000) 11.434 30.324 ( -6.407 -0.000 0.000) 6.407 30.324 ( -6.407 0.000 0.000) 6.407 ======================= Grid point 273 (90/90) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.346 ( 10.820 -0.000 0.000) 10.820 4.346 ( 10.820 0.000 0.000) 10.820 4.549 ( -7.985 0.000 0.000) 7.985 4.549 ( -7.985 0.000 0.000) 7.985 4.791 ( 1.888 0.000 0.000) 1.888 4.791 ( 1.888 0.000 0.000) 1.888 4.902 ( -10.378 0.000 0.000) 10.378 4.902 ( -10.378 0.000 0.000) 10.378 5.376 ( 0.277 -0.000 0.000) 0.277 5.376 ( 0.277 0.000 0.000) 0.277 5.422 ( -5.106 0.000 0.000) 5.106 5.422 ( -5.106 0.000 0.000) 5.106 5.983 ( 4.710 -0.000 0.000) 4.710 5.983 ( 4.710 0.000 0.000) 4.710 6.083 ( -5.309 -0.000 0.000) 5.309 6.083 ( -5.309 0.000 0.000) 5.309 6.760 ( 1.742 0.000 -0.000) 1.742 6.760 ( 1.742 0.000 0.000) 1.742 6.766 ( 2.206 -0.000 0.000) 2.206 6.766 ( 2.206 -0.000 0.000) 2.206 7.236 ( 19.232 -0.000 0.000) 19.232 7.236 ( 19.232 0.000 0.000) 19.232 7.563 ( -13.137 -0.000 0.000) 13.137 7.563 ( -13.137 0.000 0.000) 13.137 7.758 ( 7.608 0.000 0.000) 7.608 7.758 ( 7.608 0.000 0.000) 7.608 7.964 ( -12.848 -0.000 0.000) 12.848 7.964 ( -12.848 0.000 0.000) 12.848 8.459 ( 1.335 -0.000 0.000) 1.335 8.459 ( 1.335 0.000 0.000) 1.335 8.477 ( -0.549 -0.000 0.000) 0.549 8.477 ( -0.549 0.000 0.000) 0.549 9.383 ( 8.676 -0.000 0.000) 8.676 9.383 ( 8.676 0.000 0.000) 8.676 9.427 ( 0.368 -0.000 0.000) 0.368 9.427 ( 0.368 0.000 0.000) 0.368 9.632 ( 22.224 0.000 0.000) 22.224 9.632 ( 22.224 0.000 0.000) 22.224 10.084 ( -18.424 -0.000 0.000) 18.424 10.084 ( -18.424 0.000 0.000) 18.424 10.347 ( 4.030 -0.000 0.000) 4.030 10.347 ( 4.030 0.000 0.000) 4.030 10.474 ( -10.309 -0.000 0.000) 10.309 10.474 ( -10.309 0.000 0.000) 10.309 10.933 ( 10.168 -0.000 0.000) 10.168 10.933 ( 10.168 0.000 0.000) 10.168 11.167 ( -13.264 -0.000 0.000) 13.264 11.167 ( -13.264 0.000 0.000) 13.264 13.411 ( 6.116 -0.000 0.000) 6.116 13.411 ( 6.116 0.000 0.000) 6.116 13.452 ( 2.216 -0.000 0.000) 2.216 13.452 ( 2.216 0.000 0.000) 2.216 13.585 ( -2.082 -0.000 0.000) 2.082 13.585 ( -2.082 -0.000 0.000) 2.082 13.638 ( -7.994 0.000 0.000) 7.994 13.638 ( -7.994 0.000 0.000) 7.994 15.213 ( 12.752 0.000 0.000) 12.752 15.213 ( 12.752 0.000 0.000) 12.752 15.421 ( -8.081 0.000 0.000) 8.081 15.421 ( -8.081 0.000 0.000) 8.081 16.047 ( 4.492 0.000 0.000) 4.492 16.047 ( 4.492 0.000 0.000) 4.492 16.170 ( -7.375 0.000 0.000) 7.375 16.170 ( -7.375 0.000 0.000) 7.375 17.754 ( 2.737 -0.000 0.000) 2.737 17.754 ( 2.737 0.000 0.000) 2.737 17.795 ( -1.449 -0.000 0.000) 1.449 17.795 ( -1.449 0.000 0.000) 1.449 24.516 ( 3.013 0.000 0.000) 3.013 24.516 ( 3.013 0.000 0.000) 3.013 24.594 ( -5.114 -0.000 0.000) 5.114 24.594 ( -5.114 -0.000 0.000) 5.114 25.194 ( 5.851 0.000 0.000) 5.851 25.194 ( 5.851 0.000 0.000) 5.851 25.288 ( -3.878 0.000 0.000) 3.878 25.288 ( -3.878 0.000 0.000) 3.878 26.884 ( 16.587 0.000 0.000) 16.587 26.884 ( 16.587 0.000 0.000) 16.587 27.234 ( -18.925 -0.000 0.000) 18.925 27.234 ( -18.925 0.000 0.000) 18.925 29.890 ( 14.386 -0.000 0.000) 14.386 29.890 ( 14.386 0.000 0.000) 14.386 30.147 ( -11.733 -0.000 0.000) 11.733 30.147 ( -11.733 0.000 0.000) 11.733 =================== 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 3/33600 10.0 7126.426 5213.645 4822.216 0.000 0.000 0.000 3/33600 20.0 2248.122 1929.401 1614.382 0.000 0.000 0.000 3/33600 30.0 549.136 530.459 487.145 0.000 0.000 0.000 3/33600 40.0 199.303 202.064 195.865 0.000 0.000 0.000 3/33600 50.0 96.367 99.590 98.890 0.000 0.000 0.000 3/33600 60.0 55.935 58.386 58.491 0.000 0.000 0.000 3/33600 70.0 36.735 38.563 38.722 0.000 0.000 0.000 3/33600 80.0 26.318 27.713 27.817 0.000 0.000 0.000 3/33600 90.0 20.081 21.176 21.225 0.000 0.000 0.000 3/33600 100.0 16.055 16.938 16.945 0.000 0.000 0.000 3/33600 110.0 13.297 14.027 14.006 0.000 0.000 0.000 3/33600 120.0 11.319 11.934 11.893 0.000 0.000 0.000 3/33600 130.0 9.843 10.372 10.316 0.000 0.000 0.000 3/33600 140.0 8.709 9.170 9.103 0.000 0.000 0.000 3/33600 150.0 7.813 8.222 8.146 0.000 0.000 0.000 3/33600 160.0 7.091 7.458 7.373 0.000 0.000 0.000 3/33600 170.0 6.498 6.830 6.738 0.000 0.000 0.000 3/33600 180.0 6.002 6.307 6.208 0.000 0.000 0.000 3/33600 190.0 5.583 5.865 5.759 0.000 0.000 0.000 3/33600 200.0 5.224 5.487 5.374 0.000 0.000 0.000 3/33600 210.0 4.913 5.161 5.041 0.000 0.000 0.000 3/33600 220.0 4.642 4.876 4.750 0.000 0.000 0.000 3/33600 230.0 4.403 4.626 4.493 0.000 0.000 0.000 3/33600 240.0 4.191 4.404 4.265 0.000 0.000 0.000 3/33600 250.0 4.002 4.206 4.061 0.000 0.000 0.000 3/33600 260.0 3.831 4.028 3.878 0.000 0.000 0.000 3/33600 270.0 3.677 3.868 3.712 0.000 0.000 0.000 3/33600 280.0 3.538 3.722 3.561 0.000 0.000 0.000 3/33600 290.0 3.410 3.589 3.423 0.000 0.000 0.000 3/33600 300.0 3.293 3.467 3.297 0.000 0.000 0.000 3/33600 310.0 3.185 3.355 3.181 0.000 0.000 0.000 3/33600 320.0 3.085 3.251 3.073 0.000 0.000 0.000 3/33600 330.0 2.992 3.154 2.973 0.000 0.000 0.000 3/33600 340.0 2.906 3.065 2.881 0.000 0.000 0.000 3/33600 350.0 2.825 2.981 2.794 0.000 0.000 0.000 3/33600 360.0 2.750 2.902 2.713 0.000 0.000 0.000 3/33600 370.0 2.679 2.828 2.637 0.000 0.000 0.000 3/33600 380.0 2.612 2.759 2.565 0.000 0.000 0.000 3/33600 390.0 2.549 2.693 2.498 0.000 0.000 0.000 3/33600 400.0 2.489 2.631 2.434 0.000 0.000 0.000 3/33600 410.0 2.433 2.572 2.374 0.000 0.000 0.000 3/33600 420.0 2.379 2.516 2.317 0.000 0.000 0.000 3/33600 430.0 2.328 2.462 2.263 0.000 0.000 0.000 3/33600 440.0 2.279 2.411 2.211 0.000 0.000 0.000 3/33600 450.0 2.233 2.363 2.162 0.000 0.000 0.000 3/33600 460.0 2.188 2.316 2.115 0.000 0.000 0.000 3/33600 470.0 2.145 2.271 2.071 0.000 0.000 0.000 3/33600 480.0 2.105 2.229 2.028 0.000 0.000 0.000 3/33600 490.0 2.065 2.188 1.987 0.000 0.000 0.000 3/33600 500.0 2.028 2.148 1.948 0.000 0.000 0.000 3/33600 510.0 1.992 2.110 1.910 0.000 0.000 0.000 3/33600 520.0 1.957 2.074 1.874 0.000 0.000 0.000 3/33600 530.0 1.923 2.038 1.840 0.000 0.000 0.000 3/33600 540.0 1.891 2.004 1.806 0.000 0.000 0.000 3/33600 550.0 1.859 1.971 1.774 0.000 0.000 0.000 3/33600 560.0 1.829 1.940 1.743 0.000 0.000 0.000 3/33600 570.0 1.800 1.909 1.713 0.000 0.000 0.000 3/33600 580.0 1.772 1.879 1.684 0.000 0.000 0.000 3/33600 590.0 1.744 1.851 1.656 0.000 0.000 0.000 3/33600 600.0 1.718 1.823 1.629 0.000 0.000 0.000 3/33600 610.0 1.692 1.796 1.603 0.000 0.000 0.000 3/33600 620.0 1.667 1.769 1.578 0.000 0.000 0.000 3/33600 630.0 1.643 1.744 1.554 0.000 0.000 0.000 3/33600 640.0 1.620 1.719 1.530 0.000 0.000 0.000 3/33600 650.0 1.597 1.695 1.507 0.000 0.000 0.000 3/33600 660.0 1.575 1.672 1.485 0.000 0.000 0.000 3/33600 670.0 1.553 1.649 1.463 0.000 0.000 0.000 3/33600 680.0 1.532 1.627 1.443 0.000 0.000 0.000 3/33600 690.0 1.512 1.605 1.422 0.000 0.000 0.000 3/33600 700.0 1.492 1.584 1.402 0.000 0.000 0.000 3/33600 710.0 1.472 1.564 1.383 0.000 0.000 0.000 3/33600 720.0 1.454 1.544 1.364 0.000 0.000 0.000 3/33600 730.0 1.435 1.525 1.346 0.000 0.000 0.000 3/33600 740.0 1.417 1.506 1.329 0.000 0.000 0.000 3/33600 750.0 1.400 1.487 1.311 0.000 0.000 0.000 3/33600 760.0 1.383 1.469 1.295 0.000 0.000 0.000 3/33600 770.0 1.366 1.452 1.278 0.000 0.000 0.000 3/33600 780.0 1.350 1.434 1.262 0.000 0.000 0.000 3/33600 790.0 1.334 1.418 1.247 0.000 0.000 0.000 3/33600 800.0 1.319 1.401 1.231 0.000 0.000 0.000 3/33600 810.0 1.303 1.385 1.217 0.000 0.000 0.000 3/33600 820.0 1.289 1.370 1.202 0.000 0.000 0.000 3/33600 830.0 1.274 1.354 1.188 0.000 0.000 0.000 3/33600 840.0 1.260 1.339 1.174 0.000 0.000 0.000 3/33600 850.0 1.246 1.325 1.161 0.000 0.000 0.000 3/33600 860.0 1.233 1.310 1.148 0.000 0.000 0.000 3/33600 870.0 1.219 1.296 1.135 0.000 0.000 0.000 3/33600 880.0 1.206 1.282 1.122 0.000 0.000 0.000 3/33600 890.0 1.194 1.269 1.110 0.000 0.000 0.000 3/33600 900.0 1.181 1.256 1.098 0.000 0.000 0.000 3/33600 910.0 1.169 1.243 1.086 0.000 0.000 0.000 3/33600 920.0 1.157 1.230 1.075 0.000 0.000 0.000 3/33600 930.0 1.145 1.218 1.063 0.000 0.000 0.000 3/33600 940.0 1.134 1.206 1.052 0.000 0.000 0.000 3/33600 950.0 1.123 1.194 1.041 0.000 0.000 0.000 3/33600 960.0 1.112 1.182 1.031 0.000 0.000 0.000 3/33600 970.0 1.101 1.171 1.020 0.000 0.000 0.000 3/33600 980.0 1.090 1.159 1.010 0.000 0.000 0.000 3/33600 990.0 1.080 1.148 1.000 0.000 0.000 0.000 3/33600 1000.0 1.070 1.137 0.990 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:28:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|