----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:15:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.887408830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.147104890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.539566519999997 Atomic positions (fractional): *1 Na 0.22597108188506 0.49887826168511 0.19516494847415 22.990 2 Na 0.72597108188506 0.00112173831489 0.30483505152585 22.990 3 Na 0.77402891811494 0.99887826168511 0.80483505152585 22.990 4 Na 0.27402891811494 0.50112173831489 0.69516494847415 22.990 5 Na 0.77402891811494 0.50112173831489 0.80483505152585 22.990 6 Na 0.27402891811494 0.99887826168511 0.69516494847415 22.990 7 Na 0.22597108188506 0.00112173831489 0.19516494847415 22.990 8 Na 0.72597108188506 0.49887826168511 0.30483505152585 22.990 *9 Na 0.95993434300860 0.25000000000000 0.16983470173373 22.990 10 Na 0.45993434300860 0.25000000000000 0.33016529826627 22.990 11 Na 0.04006565699140 0.75000000000000 0.83016529826627 22.990 12 Na 0.54006565699140 0.75000000000000 0.66983470173373 22.990 *13 B 0.98325235081838 0.75000000000000 0.28352986237134 10.811 14 B 0.48325235081838 0.75000000000000 0.21647013762866 10.811 15 B 0.01674764918162 0.25000000000000 0.71647013762866 10.811 16 B 0.51674764918162 0.25000000000000 0.78352986237134 10.811 *17 B 0.90639600072189 0.75000000000000 0.54367150169189 10.811 18 B 0.40639600072189 0.75000000000000 0.95632849830811 10.811 19 B 0.09360399927811 0.25000000000000 0.45632849830811 10.811 20 B 0.59360399927811 0.25000000000000 0.04367150169189 10.811 *21 B 0.17747096430619 0.75000000000000 0.47778768951164 10.811 22 B 0.67747096430619 0.75000000000000 0.02221231048837 10.811 23 B 0.82252903569381 0.25000000000000 0.52221231048837 10.811 24 B 0.32252903569381 0.25000000000000 0.97778768951163 10.811 *25 H 0.91134280368158 0.62480682683232 0.10586467676316 1.008 26 H 0.41134280368157 0.87519317316768 0.39413532323684 1.008 27 H 0.08865719631843 0.12480682683232 0.89413532323684 1.008 28 H 0.58865719631842 0.37519317316768 0.60586467676316 1.008 29 H 0.08865719631843 0.37519317316768 0.89413532323684 1.008 30 H 0.58865719631842 0.12480682683232 0.60586467676316 1.008 31 H 0.91134280368158 0.87519317316768 0.10586467676316 1.008 32 H 0.41134280368157 0.62480682683232 0.39413532323684 1.008 *33 O 0.96273482349543 0.58132403518946 0.19426119486164 15.999 34 O 0.46273482349543 0.91867596481054 0.30573880513836 15.999 35 O 0.03726517650457 0.08132403518946 0.80573880513836 15.999 36 O 0.53726517650457 0.41867596481054 0.69426119486164 15.999 37 O 0.03726517650457 0.41867596481054 0.80573880513836 15.999 38 O 0.53726517650457 0.08132403518946 0.69426119486164 15.999 39 O 0.96273482349543 0.91867596481054 0.19426119486164 15.999 40 O 0.46273482349543 0.58132403518946 0.30573880513836 15.999 *41 O 0.13809608142711 0.75000000000000 0.33809914391033 15.999 42 O 0.63809608142711 0.75000000000000 0.16190085608967 15.999 43 O 0.86190391857289 0.25000000000000 0.66190085608967 15.999 44 O 0.36190391857289 0.25000000000000 0.83809914391033 15.999 *45 O 0.87269523709639 0.75000000000000 0.40059298093511 15.999 46 O 0.37269523709640 0.75000000000000 0.09940701906489 15.999 47 O 0.12730476290361 0.25000000000000 0.59940701906489 15.999 48 O 0.62730476290361 0.25000000000000 0.90059298093511 15.999 *49 O 0.80394178969812 0.75000000000000 0.64518546195559 15.999 50 O 0.30394178969811 0.75000000000000 0.85481453804441 15.999 51 O 0.19605821030188 0.25000000000000 0.35481453804441 15.999 52 O 0.69605821030188 0.25000000000000 0.14518546195559 15.999 *53 O 0.06336842473242 0.75000000000000 0.57936263740962 15.999 54 O 0.56336842473242 0.75000000000000 0.92063736259038 15.999 55 O 0.93663157526758 0.25000000000000 0.42063736259038 15.999 56 O 0.43663157526758 0.25000000000000 0.07936263740962 15.999 *57 O 0.32317813512134 0.75000000000000 0.51977873252315 15.999 58 O 0.82317813512134 0.75000000000000 0.98022126747685 15.999 59 O 0.67682186487866 0.25000000000000 0.48022126747685 15.999 60 O 0.17682186487866 0.25000000000000 0.01977873252315 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.887408830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.147104890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.539566519999997 Atomic positions (fractional): *1 Na 0.22597108188506 0.49887826168511 0.19516494847415 22.990 > 1 2 Na 0.72597108188506 0.00112173831489 0.30483505152585 22.990 > 2 3 Na 0.77402891811494 0.99887826168511 0.80483505152585 22.990 > 3 4 Na 0.27402891811494 0.50112173831489 0.69516494847415 22.990 > 4 5 Na 0.77402891811494 0.50112173831489 0.80483505152585 22.990 > 5 6 Na 0.27402891811494 0.99887826168511 0.69516494847415 22.990 > 6 7 Na 0.22597108188506 0.00112173831489 0.19516494847415 22.990 > 7 8 Na 0.72597108188506 0.49887826168511 0.30483505152585 22.990 > 8 *9 Na 0.95993434300860 0.25000000000000 0.16983470173373 22.990 > 9 10 Na 0.45993434300860 0.25000000000000 0.33016529826627 22.990 > 10 11 Na 0.04006565699140 0.75000000000000 0.83016529826627 22.990 > 11 12 Na 0.54006565699140 0.75000000000000 0.66983470173373 22.990 > 12 *13 B 0.98325235081838 0.75000000000000 0.28352986237134 10.811 > 13 14 B 0.48325235081838 0.75000000000000 0.21647013762866 10.811 > 14 15 B 0.01674764918162 0.25000000000000 0.71647013762866 10.811 > 15 16 B 0.51674764918162 0.25000000000000 0.78352986237134 10.811 > 16 *17 B 0.90639600072189 0.75000000000000 0.54367150169189 10.811 > 17 18 B 0.40639600072189 0.75000000000000 0.95632849830811 10.811 > 18 19 B 0.09360399927811 0.25000000000000 0.45632849830811 10.811 > 19 20 B 0.59360399927811 0.25000000000000 0.04367150169189 10.811 > 20 *21 B 0.17747096430619 0.75000000000000 0.47778768951164 10.811 > 21 22 B 0.67747096430619 0.75000000000000 0.02221231048837 10.811 > 22 23 B 0.82252903569381 0.25000000000000 0.52221231048837 10.811 > 23 24 B 0.32252903569381 0.25000000000000 0.97778768951163 10.811 > 24 *25 H 0.91134280368158 0.62480682683232 0.10586467676316 1.008 > 25 26 H 0.41134280368157 0.87519317316768 0.39413532323684 1.008 > 26 27 H 0.08865719631843 0.12480682683232 0.89413532323684 1.008 > 27 28 H 0.58865719631842 0.37519317316768 0.60586467676316 1.008 > 28 29 H 0.08865719631843 0.37519317316768 0.89413532323684 1.008 > 29 30 H 0.58865719631842 0.12480682683232 0.60586467676316 1.008 > 30 31 H 0.91134280368158 0.87519317316768 0.10586467676316 1.008 > 31 32 H 0.41134280368157 0.62480682683232 0.39413532323684 1.008 > 32 *33 O 0.96273482349543 0.58132403518946 0.19426119486164 15.999 > 33 34 O 0.46273482349543 0.91867596481054 0.30573880513836 15.999 > 34 35 O 0.03726517650457 0.08132403518946 0.80573880513836 15.999 > 35 36 O 0.53726517650457 0.41867596481054 0.69426119486164 15.999 > 36 37 O 0.03726517650457 0.41867596481054 0.80573880513836 15.999 > 37 38 O 0.53726517650457 0.08132403518946 0.69426119486164 15.999 > 38 39 O 0.96273482349543 0.91867596481054 0.19426119486164 15.999 > 39 40 O 0.46273482349543 0.58132403518946 0.30573880513836 15.999 > 40 *41 O 0.13809608142711 0.75000000000000 0.33809914391033 15.999 > 41 42 O 0.63809608142711 0.75000000000000 0.16190085608967 15.999 > 42 43 O 0.86190391857289 0.25000000000000 0.66190085608967 15.999 > 43 44 O 0.36190391857289 0.25000000000000 0.83809914391033 15.999 > 44 *45 O 0.87269523709639 0.75000000000000 0.40059298093511 15.999 > 45 46 O 0.37269523709640 0.75000000000000 0.09940701906489 15.999 > 46 47 O 0.12730476290361 0.25000000000000 0.59940701906489 15.999 > 47 48 O 0.62730476290361 0.25000000000000 0.90059298093511 15.999 > 48 *49 O 0.80394178969812 0.75000000000000 0.64518546195559 15.999 > 49 50 O 0.30394178969811 0.75000000000000 0.85481453804441 15.999 > 50 51 O 0.19605821030188 0.25000000000000 0.35481453804441 15.999 > 51 52 O 0.69605821030188 0.25000000000000 0.14518546195559 15.999 > 52 *53 O 0.06336842473242 0.75000000000000 0.57936263740962 15.999 > 53 54 O 0.56336842473242 0.75000000000000 0.92063736259038 15.999 > 54 55 O 0.93663157526758 0.25000000000000 0.42063736259038 15.999 > 55 56 O 0.43663157526758 0.25000000000000 0.07936263740962 15.999 > 56 *57 O 0.32317813512134 0.75000000000000 0.51977873252315 15.999 > 57 58 O 0.82317813512134 0.75000000000000 0.98022126747685 15.999 > 58 59 O 0.67682186487866 0.25000000000000 0.48022126747685 15.999 > 59 60 O 0.17682186487866 0.25000000000000 0.01977873252315 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.887408830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.294209779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.539566519999997 Atomic positions (fractional): *1 Na 0.22597108188506 0.24943913084255 0.19516494847415 22.990 > 1 2 Na 0.22597108188506 0.74943913084255 0.19516494847415 22.990 > 1 3 Na 0.72597108188506 0.00056086915745 0.30483505152585 22.990 > 2 4 Na 0.72597108188506 0.50056086915745 0.30483505152585 22.990 > 2 5 Na 0.77402891811494 0.49943913084255 0.80483505152585 22.990 > 3 6 Na 0.77402891811494 0.99943913084255 0.80483505152585 22.990 > 3 7 Na 0.27402891811494 0.25056086915745 0.69516494847415 22.990 > 4 8 Na 0.27402891811494 0.75056086915745 0.69516494847415 22.990 > 4 9 Na 0.77402891811494 0.25056086915745 0.80483505152585 22.990 > 5 10 Na 0.77402891811494 0.75056086915745 0.80483505152585 22.990 > 5 11 Na 0.27402891811494 0.49943913084255 0.69516494847415 22.990 > 6 12 Na 0.27402891811494 0.99943913084255 0.69516494847415 22.990 > 6 13 Na 0.22597108188506 0.00056086915745 0.19516494847415 22.990 > 7 14 Na 0.22597108188506 0.50056086915745 0.19516494847415 22.990 > 7 15 Na 0.72597108188506 0.24943913084255 0.30483505152585 22.990 > 8 16 Na 0.72597108188506 0.74943913084255 0.30483505152585 22.990 > 8 *17 Na 0.95993434300860 0.12500000000000 0.16983470173373 22.990 > 9 18 Na 0.95993434300860 0.62500000000000 0.16983470173373 22.990 > 9 19 Na 0.45993434300860 0.12500000000000 0.33016529826627 22.990 > 10 20 Na 0.45993434300860 0.62500000000000 0.33016529826627 22.990 > 10 21 Na 0.04006565699140 0.37500000000000 0.83016529826627 22.990 > 11 22 Na 0.04006565699140 0.87500000000000 0.83016529826627 22.990 > 11 23 Na 0.54006565699140 0.37500000000000 0.66983470173373 22.990 > 12 24 Na 0.54006565699140 0.87500000000000 0.66983470173373 22.990 > 12 *25 B 0.98325235081838 0.37500000000000 0.28352986237134 10.811 > 13 26 B 0.98325235081838 0.87500000000000 0.28352986237134 10.811 > 13 27 B 0.48325235081838 0.37500000000000 0.21647013762866 10.811 > 14 28 B 0.48325235081838 0.87500000000000 0.21647013762866 10.811 > 14 29 B 0.01674764918162 0.12500000000000 0.71647013762866 10.811 > 15 30 B 0.01674764918162 0.62500000000000 0.71647013762866 10.811 > 15 31 B 0.51674764918162 0.12500000000000 0.78352986237134 10.811 > 16 32 B 0.51674764918162 0.62500000000000 0.78352986237134 10.811 > 16 *33 B 0.90639600072189 0.37500000000000 0.54367150169189 10.811 > 17 34 B 0.90639600072189 0.87500000000000 0.54367150169189 10.811 > 17 35 B 0.40639600072189 0.37500000000000 0.95632849830811 10.811 > 18 36 B 0.40639600072189 0.87500000000000 0.95632849830811 10.811 > 18 37 B 0.09360399927811 0.12500000000000 0.45632849830811 10.811 > 19 38 B 0.09360399927811 0.62500000000000 0.45632849830811 10.811 > 19 39 B 0.59360399927811 0.12500000000000 0.04367150169189 10.811 > 20 40 B 0.59360399927811 0.62500000000000 0.04367150169189 10.811 > 20 *41 B 0.17747096430619 0.37500000000000 0.47778768951164 10.811 > 21 42 B 0.17747096430619 0.87500000000000 0.47778768951164 10.811 > 21 43 B 0.67747096430619 0.37500000000000 0.02221231048837 10.811 > 22 44 B 0.67747096430619 0.87500000000000 0.02221231048837 10.811 > 22 45 B 0.82252903569381 0.12500000000000 0.52221231048837 10.811 > 23 46 B 0.82252903569381 0.62500000000000 0.52221231048837 10.811 > 23 47 B 0.32252903569381 0.12500000000000 0.97778768951163 10.811 > 24 48 B 0.32252903569381 0.62500000000000 0.97778768951163 10.811 > 24 *49 H 0.91134280368158 0.31240341341616 0.10586467676316 1.008 > 25 50 H 0.91134280368158 0.81240341341616 0.10586467676316 1.008 > 25 51 H 0.41134280368157 0.43759658658384 0.39413532323684 1.008 > 26 52 H 0.41134280368157 0.93759658658384 0.39413532323684 1.008 > 26 53 H 0.08865719631843 0.06240341341616 0.89413532323684 1.008 > 27 54 H 0.08865719631843 0.56240341341616 0.89413532323684 1.008 > 27 55 H 0.58865719631842 0.18759658658384 0.60586467676316 1.008 > 28 56 H 0.58865719631842 0.68759658658384 0.60586467676316 1.008 > 28 57 H 0.08865719631843 0.18759658658384 0.89413532323684 1.008 > 29 58 H 0.08865719631843 0.68759658658384 0.89413532323684 1.008 > 29 59 H 0.58865719631842 0.06240341341616 0.60586467676316 1.008 > 30 60 H 0.58865719631842 0.56240341341616 0.60586467676316 1.008 > 30 61 H 0.91134280368158 0.43759658658384 0.10586467676316 1.008 > 31 62 H 0.91134280368158 0.93759658658384 0.10586467676316 1.008 > 31 63 H 0.41134280368157 0.31240341341616 0.39413532323684 1.008 > 32 64 H 0.41134280368157 0.81240341341616 0.39413532323684 1.008 > 32 *65 O 0.96273482349543 0.29066201759473 0.19426119486164 15.999 > 33 66 O 0.96273482349543 0.79066201759473 0.19426119486164 15.999 > 33 67 O 0.46273482349543 0.45933798240527 0.30573880513836 15.999 > 34 68 O 0.46273482349543 0.95933798240527 0.30573880513836 15.999 > 34 69 O 0.03726517650457 0.04066201759473 0.80573880513836 15.999 > 35 70 O 0.03726517650457 0.54066201759473 0.80573880513836 15.999 > 35 71 O 0.53726517650457 0.20933798240527 0.69426119486164 15.999 > 36 72 O 0.53726517650457 0.70933798240527 0.69426119486164 15.999 > 36 73 O 0.03726517650457 0.20933798240527 0.80573880513836 15.999 > 37 74 O 0.03726517650457 0.70933798240527 0.80573880513836 15.999 > 37 75 O 0.53726517650457 0.04066201759473 0.69426119486164 15.999 > 38 76 O 0.53726517650457 0.54066201759473 0.69426119486164 15.999 > 38 77 O 0.96273482349543 0.45933798240527 0.19426119486164 15.999 > 39 78 O 0.96273482349543 0.95933798240527 0.19426119486164 15.999 > 39 79 O 0.46273482349543 0.29066201759473 0.30573880513836 15.999 > 40 80 O 0.46273482349543 0.79066201759473 0.30573880513836 15.999 > 40 *81 O 0.13809608142711 0.37500000000000 0.33809914391033 15.999 > 41 82 O 0.13809608142711 0.87500000000000 0.33809914391033 15.999 > 41 83 O 0.63809608142711 0.37500000000000 0.16190085608967 15.999 > 42 84 O 0.63809608142711 0.87500000000000 0.16190085608967 15.999 > 42 85 O 0.86190391857289 0.12500000000000 0.66190085608967 15.999 > 43 86 O 0.86190391857289 0.62500000000000 0.66190085608967 15.999 > 43 87 O 0.36190391857289 0.12500000000000 0.83809914391033 15.999 > 44 88 O 0.36190391857289 0.62500000000000 0.83809914391033 15.999 > 44 *89 O 0.87269523709639 0.37500000000000 0.40059298093511 15.999 > 45 90 O 0.87269523709639 0.87500000000000 0.40059298093511 15.999 > 45 91 O 0.37269523709640 0.37500000000000 0.09940701906489 15.999 > 46 92 O 0.37269523709640 0.87500000000000 0.09940701906489 15.999 > 46 93 O 0.12730476290361 0.12500000000000 0.59940701906489 15.999 > 47 94 O 0.12730476290361 0.62500000000000 0.59940701906489 15.999 > 47 95 O 0.62730476290361 0.12500000000000 0.90059298093511 15.999 > 48 96 O 0.62730476290361 0.62500000000000 0.90059298093511 15.999 > 48 *97 O 0.80394178969812 0.37500000000000 0.64518546195559 15.999 > 49 98 O 0.80394178969812 0.87500000000000 0.64518546195559 15.999 > 49 99 O 0.30394178969811 0.37500000000000 0.85481453804441 15.999 > 50 100 O 0.30394178969811 0.87500000000000 0.85481453804441 15.999 > 50 101 O 0.19605821030188 0.12500000000000 0.35481453804441 15.999 > 51 102 O 0.19605821030188 0.62500000000000 0.35481453804441 15.999 > 51 103 O 0.69605821030188 0.12500000000000 0.14518546195559 15.999 > 52 104 O 0.69605821030188 0.62500000000000 0.14518546195559 15.999 > 52 *105 O 0.06336842473242 0.37500000000000 0.57936263740962 15.999 > 53 106 O 0.06336842473242 0.87500000000000 0.57936263740962 15.999 > 53 107 O 0.56336842473242 0.37500000000000 0.92063736259038 15.999 > 54 108 O 0.56336842473242 0.87500000000000 0.92063736259038 15.999 > 54 109 O 0.93663157526758 0.12500000000000 0.42063736259038 15.999 > 55 110 O 0.93663157526758 0.62500000000000 0.42063736259038 15.999 > 55 111 O 0.43663157526758 0.12500000000000 0.07936263740962 15.999 > 56 112 O 0.43663157526758 0.62500000000000 0.07936263740962 15.999 > 56 *113 O 0.32317813512134 0.37500000000000 0.51977873252315 15.999 > 57 114 O 0.32317813512134 0.87500000000000 0.51977873252315 15.999 > 57 115 O 0.82317813512134 0.37500000000000 0.98022126747685 15.999 > 58 116 O 0.82317813512134 0.87500000000000 0.98022126747685 15.999 > 58 117 O 0.67682186487866 0.12500000000000 0.48022126747685 15.999 > 59 118 O 0.67682186487866 0.62500000000000 0.48022126747685 15.999 > 59 119 O 0.17682186487866 0.12500000000000 0.01977873252315 15.999 > 60 120 O 0.17682186487866 0.62500000000000 0.01977873252315 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5083274 0.0000000 0.0000000 0.0000000 2.1974703 0.0000000 0.0000000 0.0000000 2.5170635 -------------------------- Born effective charges -------------------------- 1 Na 1.0564625 0.0264625 -0.1608355 0.0039835 1.0859225 0.0676320 -0.1188395 0.0688638 1.0631015 2 Na 1.0564625 -0.0264625 0.1608355 -0.0039835 1.0859225 0.0676320 0.1188395 0.0688638 1.0631015 3 Na 1.0564625 -0.0264625 -0.1608355 -0.0039835 1.0859225 -0.0676320 -0.1188395 -0.0688638 1.0631015 4 Na 1.0564625 0.0264625 0.1608355 0.0039835 1.0859225 -0.0676320 0.1188395 -0.0688638 1.0631015 5 Na 1.0564625 0.0264625 -0.1608355 0.0039835 1.0859225 0.0676320 -0.1188395 0.0688638 1.0631015 6 Na 1.0564625 -0.0264625 0.1608355 -0.0039835 1.0859225 0.0676320 0.1188395 0.0688638 1.0631015 7 Na 1.0564625 -0.0264625 -0.1608355 -0.0039835 1.0859225 -0.0676320 -0.1188395 -0.0688638 1.0631015 8 Na 1.0564625 0.0264625 0.1608355 0.0039835 1.0859225 -0.0676320 0.1188395 -0.0688638 1.0631015 9 Na 1.1336494 0.0000000 -0.0575332 0.0000000 1.0869698 0.0000000 0.0269830 0.0000000 1.1479129 10 Na 1.1336494 0.0000000 0.0575332 0.0000000 1.0869698 0.0000000 -0.0269830 0.0000000 1.1479129 11 Na 1.1336494 0.0000000 -0.0575332 0.0000000 1.0869698 0.0000000 0.0269830 0.0000000 1.1479129 12 Na 1.1336494 0.0000000 0.0575332 0.0000000 1.0869698 0.0000000 -0.0269830 0.0000000 1.1479129 13 B 1.9966263 0.0000000 0.3633841 0.0000000 1.7921590 0.0000000 0.1838102 0.0000000 2.6316954 14 B 1.9966263 0.0000000 -0.3633841 0.0000000 1.7921590 0.0000000 -0.1838102 0.0000000 2.6316954 15 B 1.9966263 0.0000000 0.3633841 0.0000000 1.7921590 0.0000000 0.1838102 0.0000000 2.6316954 16 B 1.9966263 0.0000000 -0.3633841 0.0000000 1.7921590 0.0000000 -0.1838102 0.0000000 2.6316954 17 B 2.4499984 0.0000000 -0.2436353 0.0000000 0.5771389 0.0000000 -0.4477711 0.0000000 2.5346400 18 B 2.4499984 0.0000000 0.2436353 0.0000000 0.5771389 0.0000000 0.4477711 0.0000000 2.5346400 19 B 2.4499984 0.0000000 -0.2436353 0.0000000 0.5771389 0.0000000 -0.4477711 0.0000000 2.5346400 20 B 2.4499984 0.0000000 0.2436353 0.0000000 0.5771389 0.0000000 0.4477711 0.0000000 2.5346400 21 B 2.8371198 0.0000000 0.2087738 0.0000000 0.5826272 0.0000000 -0.1076674 0.0000000 2.1121904 22 B 2.8371198 0.0000000 -0.2087738 0.0000000 0.5826272 0.0000000 0.1076674 0.0000000 2.1121904 23 B 2.8371198 0.0000000 0.2087738 0.0000000 0.5826272 0.0000000 -0.1076674 0.0000000 2.1121904 24 B 2.8371198 0.0000000 -0.2087738 0.0000000 0.5826272 0.0000000 0.1076674 0.0000000 2.1121904 25 H 0.6193702 -0.2540332 0.4759574 -0.1760164 0.4326024 -0.2533198 0.3505540 -0.2611498 0.8190220 26 H 0.6193702 0.2540332 -0.4759574 0.1760164 0.4326024 -0.2533198 -0.3505540 -0.2611498 0.8190220 27 H 0.6193702 0.2540332 0.4759574 0.1760164 0.4326024 0.2533198 0.3505540 0.2611498 0.8190220 28 H 0.6193702 -0.2540332 -0.4759574 -0.1760164 0.4326024 0.2533198 -0.3505540 0.2611498 0.8190220 29 H 0.6193702 -0.2540332 0.4759574 -0.1760164 0.4326024 -0.2533198 0.3505540 -0.2611498 0.8190220 30 H 0.6193702 0.2540332 -0.4759574 0.1760164 0.4326024 -0.2533198 -0.3505540 -0.2611498 0.8190220 31 H 0.6193702 0.2540332 0.4759574 0.1760164 0.4326024 0.2533198 0.3505540 0.2611498 0.8190220 32 H 0.6193702 -0.2540332 -0.4759574 -0.1760164 0.4326024 0.2533198 -0.3505540 0.2611498 0.8190220 33 O -1.1579173 -0.0027773 -0.4054041 0.0239109 -1.3940922 -0.1519962 -0.2772142 -0.3015962 -1.5975948 34 O -1.1579173 0.0027773 0.4054041 -0.0239109 -1.3940922 -0.1519962 0.2772142 -0.3015962 -1.5975948 35 O -1.1579173 0.0027773 -0.4054041 -0.0239109 -1.3940922 0.1519962 -0.2772142 0.3015962 -1.5975948 36 O -1.1579173 -0.0027773 0.4054041 0.0239109 -1.3940922 0.1519962 0.2772142 0.3015962 -1.5975948 37 O -1.1579173 -0.0027773 -0.4054041 0.0239109 -1.3940922 -0.1519962 -0.2772142 -0.3015962 -1.5975948 38 O -1.1579173 0.0027773 0.4054041 -0.0239109 -1.3940922 -0.1519962 0.2772142 -0.3015962 -1.5975948 39 O -1.1579173 0.0027773 -0.4054041 -0.0239109 -1.3940922 0.1519962 -0.2772142 0.3015962 -1.5975948 40 O -1.1579173 -0.0027773 0.4054041 0.0239109 -1.3940922 0.1519962 0.2772142 0.3015962 -1.5975948 41 O -1.7911625 0.0000000 -0.5969008 0.0000000 -0.7384507 0.0000000 -0.4577327 0.0000000 -1.8197649 42 O -1.7911625 0.0000000 0.5969008 0.0000000 -0.7384507 0.0000000 0.4577327 0.0000000 -1.8197649 43 O -1.7911625 0.0000000 -0.5969008 0.0000000 -0.7384507 0.0000000 -0.4577327 0.0000000 -1.8197649 44 O -1.7911625 0.0000000 0.5969008 0.0000000 -0.7384507 0.0000000 0.4577327 0.0000000 -1.8197649 45 O -1.2825118 0.0000000 0.0989906 0.0000000 -0.7812604 0.0000000 0.1872321 0.0000000 -2.3894580 46 O -1.2825118 0.0000000 -0.0989906 0.0000000 -0.7812604 0.0000000 -0.1872321 0.0000000 -2.3894580 47 O -1.2825118 0.0000000 0.0989906 0.0000000 -0.7812604 0.0000000 0.1872321 0.0000000 -2.3894580 48 O -1.2825118 0.0000000 -0.0989906 0.0000000 -0.7812604 0.0000000 -0.1872321 0.0000000 -2.3894580 49 O -1.6582118 0.0000000 0.5454334 0.0000000 -1.1183105 0.0000000 0.6257786 0.0000000 -1.8153407 50 O -1.6582118 0.0000000 -0.5454334 0.0000000 -1.1183105 0.0000000 -0.6257786 0.0000000 -1.8153407 51 O -1.6582118 0.0000000 0.5454334 0.0000000 -1.1183105 0.0000000 0.6257786 0.0000000 -1.8153407 52 O -1.6582118 0.0000000 -0.5454334 0.0000000 -1.1183105 0.0000000 -0.6257786 0.0000000 -1.8153407 53 O -2.4176937 0.0000000 0.2592912 0.0000000 -0.5954067 0.0000000 0.4074129 0.0000000 -1.3593913 54 O -2.4176937 0.0000000 -0.2592912 0.0000000 -0.5954067 0.0000000 -0.4074129 0.0000000 -1.3593913 55 O -2.4176937 0.0000000 0.2592912 0.0000000 -0.5954067 0.0000000 0.4074129 0.0000000 -1.3593913 56 O -2.4176937 0.0000000 -0.2592912 0.0000000 -0.5954067 0.0000000 -0.4074129 0.0000000 -1.3593913 57 O -2.3036451 0.0000000 -0.0168845 0.0000000 -1.0543320 0.0000000 0.1206510 0.0000000 -1.6115412 58 O -2.3036451 0.0000000 0.0168845 0.0000000 -1.0543320 0.0000000 -0.1206510 0.0000000 -1.6115412 59 O -2.3036451 0.0000000 -0.0168845 0.0000000 -1.0543320 0.0000000 0.1206510 0.0000000 -1.6115412 60 O -2.3036451 0.0000000 0.0168845 0.0000000 -1.0543320 0.0000000 -0.1206510 0.0000000 -1.6115412 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4266 Number of blocks in projector: 4266 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: 1062 Use submatrix version of eigh solver. (1) Block: 500 / 1062 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1062 / 1062 (2) Block: 250 / 562 (2) 227 eigenvectors found. (2) Block: 500 / 562 (2) 232 eigenvectors found. (2) Block: 562 / 562 (2) 54 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 539 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 23 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 738 Use submatrix version of eigh solver. (1) Block: 500 / 738 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 245 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 738 / 738 (1) 232 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 738 Use submatrix version of eigh solver. (1) Block: 500 / 738 (2) Block: 250 / 500 (2) 245 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 738 / 738 (1) 232 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4266, 4194), data: False |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 66), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 66), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 66), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (738, 732), data: False |-- (738, 6), data: (738, 12) @ (12, 6) |-- (238, 232), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 244), data: True |-- (250, 245), data: True |-- (738, 732), data: False |-- (738, 6), data: (738, 12) @ (12, 6) |-- (238, 232), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 245), data: True |-- (250, 244), data: True |-- (1062, 1038), data: False |-- (1062, 23), data: (1062, 47) @ (47, 23) |-- (562, 539), data: False |-- (562, 26), data: (562, 49) @ (49, 26) |-- (62, 54), data: True |-- (250, 232), data: True |-- (250, 227), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 227), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.076 Solver_block: 200 / 960 - Time: 0.972 Solver_block: 300 / 960 - Time: 0.964 Solver_block: 400 / 960 - Time: 0.962 Solver_block: 500 / 960 - Time: 0.968 Solver_block: 600 / 960 - Time: 0.964 Solver_block: 700 / 960 - Time: 0.970 Solver_block: 800 / 960 - Time: 0.964 Solver_block: 900 / 960 - Time: 0.975 Solver_block: 960 / 960 - Time: 0.643 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.712 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4266 Number of blocks in projector: 4266 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: 1062 Use submatrix version of eigh solver. (1) Block: 500 / 1062 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1062 / 1062 (2) Block: 250 / 562 (2) 227 eigenvectors found. (2) Block: 500 / 562 (2) 232 eigenvectors found. (2) Block: 562 / 562 (2) 54 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 539 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 23 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 738 Use submatrix version of eigh solver. (1) Block: 500 / 738 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 245 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 738 / 738 (1) 232 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 738 Use submatrix version of eigh solver. (1) Block: 500 / 738 (2) Block: 250 / 500 (2) 245 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 738 / 738 (1) 232 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4266, 4194), data: False |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 66), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 66), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 66), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (738, 732), data: False |-- (738, 6), data: (738, 12) @ (12, 6) |-- (238, 232), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 244), data: True |-- (250, 245), data: True |-- (738, 732), data: False |-- (738, 6), data: (738, 12) @ (12, 6) |-- (238, 232), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 245), data: True |-- (250, 244), data: True |-- (1062, 1038), data: False |-- (1062, 23), data: (1062, 47) @ (47, 23) |-- (562, 539), data: False |-- (562, 26), data: (562, 49) @ (49, 26) |-- (62, 54), data: True |-- (250, 232), data: True |-- (250, 227), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 227), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:16:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:16:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.887408830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.147104890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.539566519999997 Atomic positions (fractional): 1 Na 0.22597108188506 0.49887826168511 0.19516494847415 22.990 2 Na 0.72597108188506 0.00112173831489 0.30483505152585 22.990 3 Na 0.77402891811494 0.99887826168511 0.80483505152585 22.990 4 Na 0.27402891811494 0.50112173831489 0.69516494847415 22.990 5 Na 0.77402891811494 0.50112173831489 0.80483505152585 22.990 6 Na 0.27402891811494 0.99887826168511 0.69516494847415 22.990 7 Na 0.22597108188506 0.00112173831489 0.19516494847415 22.990 8 Na 0.72597108188506 0.49887826168511 0.30483505152585 22.990 9 Na 0.95993434300860 0.25000000000000 0.16983470173373 22.990 10 Na 0.45993434300860 0.25000000000000 0.33016529826627 22.990 11 Na 0.04006565699140 0.75000000000000 0.83016529826627 22.990 12 Na 0.54006565699140 0.75000000000000 0.66983470173373 22.990 13 B 0.98325235081838 0.75000000000000 0.28352986237134 10.811 14 B 0.48325235081838 0.75000000000000 0.21647013762866 10.811 15 B 0.01674764918162 0.25000000000000 0.71647013762866 10.811 16 B 0.51674764918162 0.25000000000000 0.78352986237134 10.811 17 B 0.90639600072189 0.75000000000000 0.54367150169189 10.811 18 B 0.40639600072189 0.75000000000000 0.95632849830811 10.811 19 B 0.09360399927811 0.25000000000000 0.45632849830811 10.811 20 B 0.59360399927811 0.25000000000000 0.04367150169189 10.811 21 B 0.17747096430619 0.75000000000000 0.47778768951164 10.811 22 B 0.67747096430619 0.75000000000000 0.02221231048837 10.811 23 B 0.82252903569381 0.25000000000000 0.52221231048837 10.811 24 B 0.32252903569381 0.25000000000000 0.97778768951163 10.811 25 H 0.91134280368158 0.62480682683232 0.10586467676316 1.008 26 H 0.41134280368157 0.87519317316768 0.39413532323684 1.008 27 H 0.08865719631843 0.12480682683232 0.89413532323684 1.008 28 H 0.58865719631842 0.37519317316768 0.60586467676316 1.008 29 H 0.08865719631843 0.37519317316768 0.89413532323684 1.008 30 H 0.58865719631842 0.12480682683232 0.60586467676316 1.008 31 H 0.91134280368158 0.87519317316768 0.10586467676316 1.008 32 H 0.41134280368157 0.62480682683232 0.39413532323684 1.008 33 O 0.96273482349543 0.58132403518946 0.19426119486164 15.999 34 O 0.46273482349543 0.91867596481054 0.30573880513836 15.999 35 O 0.03726517650457 0.08132403518946 0.80573880513836 15.999 36 O 0.53726517650457 0.41867596481054 0.69426119486164 15.999 37 O 0.03726517650457 0.41867596481054 0.80573880513836 15.999 38 O 0.53726517650457 0.08132403518946 0.69426119486164 15.999 39 O 0.96273482349543 0.91867596481054 0.19426119486164 15.999 40 O 0.46273482349543 0.58132403518946 0.30573880513836 15.999 41 O 0.13809608142711 0.75000000000000 0.33809914391033 15.999 42 O 0.63809608142711 0.75000000000000 0.16190085608967 15.999 43 O 0.86190391857289 0.25000000000000 0.66190085608967 15.999 44 O 0.36190391857289 0.25000000000000 0.83809914391033 15.999 45 O 0.87269523709639 0.75000000000000 0.40059298093511 15.999 46 O 0.37269523709640 0.75000000000000 0.09940701906489 15.999 47 O 0.12730476290361 0.25000000000000 0.59940701906489 15.999 48 O 0.62730476290361 0.25000000000000 0.90059298093511 15.999 49 O 0.80394178969812 0.75000000000000 0.64518546195559 15.999 50 O 0.30394178969811 0.75000000000000 0.85481453804441 15.999 51 O 0.19605821030188 0.25000000000000 0.35481453804441 15.999 52 O 0.69605821030188 0.25000000000000 0.14518546195559 15.999 53 O 0.06336842473242 0.75000000000000 0.57936263740962 15.999 54 O 0.56336842473242 0.75000000000000 0.92063736259038 15.999 55 O 0.93663157526758 0.25000000000000 0.42063736259038 15.999 56 O 0.43663157526758 0.25000000000000 0.07936263740962 15.999 57 O 0.32317813512134 0.75000000000000 0.51977873252315 15.999 58 O 0.82317813512134 0.75000000000000 0.98022126747685 15.999 59 O 0.67682186487866 0.25000000000000 0.48022126747685 15.999 60 O 0.17682186487866 0.25000000000000 0.01977873252315 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.887408830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.294209779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.539566519999997 Atomic positions (fractional): 1 Na 0.22597108188506 0.24943913084255 0.19516494847415 22.990 > 1 2 Na 0.22597108188506 0.74943913084255 0.19516494847415 22.990 > 1 3 Na 0.72597108188506 0.00056086915745 0.30483505152585 22.990 > 3 4 Na 0.72597108188506 0.50056086915745 0.30483505152585 22.990 > 3 5 Na 0.77402891811494 0.49943913084255 0.80483505152585 22.990 > 5 6 Na 0.77402891811494 0.99943913084255 0.80483505152585 22.990 > 5 7 Na 0.27402891811494 0.25056086915745 0.69516494847415 22.990 > 7 8 Na 0.27402891811494 0.75056086915745 0.69516494847415 22.990 > 7 9 Na 0.77402891811494 0.25056086915745 0.80483505152585 22.990 > 9 10 Na 0.77402891811494 0.75056086915745 0.80483505152585 22.990 > 9 11 Na 0.27402891811494 0.49943913084255 0.69516494847415 22.990 > 11 12 Na 0.27402891811494 0.99943913084255 0.69516494847415 22.990 > 11 13 Na 0.22597108188506 0.00056086915745 0.19516494847415 22.990 > 13 14 Na 0.22597108188506 0.50056086915745 0.19516494847415 22.990 > 13 15 Na 0.72597108188506 0.24943913084255 0.30483505152585 22.990 > 15 16 Na 0.72597108188506 0.74943913084255 0.30483505152585 22.990 > 15 17 Na 0.95993434300860 0.12500000000000 0.16983470173373 22.990 > 17 18 Na 0.95993434300860 0.62500000000000 0.16983470173373 22.990 > 17 19 Na 0.45993434300860 0.12500000000000 0.33016529826627 22.990 > 19 20 Na 0.45993434300860 0.62500000000000 0.33016529826627 22.990 > 19 21 Na 0.04006565699140 0.37500000000000 0.83016529826627 22.990 > 21 22 Na 0.04006565699140 0.87500000000000 0.83016529826627 22.990 > 21 23 Na 0.54006565699140 0.37500000000000 0.66983470173373 22.990 > 23 24 Na 0.54006565699140 0.87500000000000 0.66983470173373 22.990 > 23 25 B 0.98325235081838 0.37500000000000 0.28352986237134 10.811 > 25 26 B 0.98325235081838 0.87500000000000 0.28352986237134 10.811 > 25 27 B 0.48325235081838 0.37500000000000 0.21647013762866 10.811 > 27 28 B 0.48325235081838 0.87500000000000 0.21647013762866 10.811 > 27 29 B 0.01674764918162 0.12500000000000 0.71647013762866 10.811 > 29 30 B 0.01674764918162 0.62500000000000 0.71647013762866 10.811 > 29 31 B 0.51674764918162 0.12500000000000 0.78352986237134 10.811 > 31 32 B 0.51674764918162 0.62500000000000 0.78352986237134 10.811 > 31 33 B 0.90639600072189 0.37500000000000 0.54367150169189 10.811 > 33 34 B 0.90639600072189 0.87500000000000 0.54367150169189 10.811 > 33 35 B 0.40639600072189 0.37500000000000 0.95632849830811 10.811 > 35 36 B 0.40639600072189 0.87500000000000 0.95632849830811 10.811 > 35 37 B 0.09360399927811 0.12500000000000 0.45632849830811 10.811 > 37 38 B 0.09360399927811 0.62500000000000 0.45632849830811 10.811 > 37 39 B 0.59360399927811 0.12500000000000 0.04367150169189 10.811 > 39 40 B 0.59360399927811 0.62500000000000 0.04367150169189 10.811 > 39 41 B 0.17747096430619 0.37500000000000 0.47778768951164 10.811 > 41 42 B 0.17747096430619 0.87500000000000 0.47778768951164 10.811 > 41 43 B 0.67747096430619 0.37500000000000 0.02221231048837 10.811 > 43 44 B 0.67747096430619 0.87500000000000 0.02221231048837 10.811 > 43 45 B 0.82252903569381 0.12500000000000 0.52221231048837 10.811 > 45 46 B 0.82252903569381 0.62500000000000 0.52221231048837 10.811 > 45 47 B 0.32252903569381 0.12500000000000 0.97778768951163 10.811 > 47 48 B 0.32252903569381 0.62500000000000 0.97778768951163 10.811 > 47 49 H 0.91134280368158 0.31240341341616 0.10586467676316 1.008 > 49 50 H 0.91134280368158 0.81240341341616 0.10586467676316 1.008 > 49 51 H 0.41134280368157 0.43759658658384 0.39413532323684 1.008 > 51 52 H 0.41134280368157 0.93759658658384 0.39413532323684 1.008 > 51 53 H 0.08865719631843 0.06240341341616 0.89413532323684 1.008 > 53 54 H 0.08865719631843 0.56240341341616 0.89413532323684 1.008 > 53 55 H 0.58865719631842 0.18759658658384 0.60586467676316 1.008 > 55 56 H 0.58865719631842 0.68759658658384 0.60586467676316 1.008 > 55 57 H 0.08865719631843 0.18759658658384 0.89413532323684 1.008 > 57 58 H 0.08865719631843 0.68759658658384 0.89413532323684 1.008 > 57 59 H 0.58865719631842 0.06240341341616 0.60586467676316 1.008 > 59 60 H 0.58865719631842 0.56240341341616 0.60586467676316 1.008 > 59 61 H 0.91134280368158 0.43759658658384 0.10586467676316 1.008 > 61 62 H 0.91134280368158 0.93759658658384 0.10586467676316 1.008 > 61 63 H 0.41134280368157 0.31240341341616 0.39413532323684 1.008 > 63 64 H 0.41134280368157 0.81240341341616 0.39413532323684 1.008 > 63 65 O 0.96273482349543 0.29066201759473 0.19426119486164 15.999 > 65 66 O 0.96273482349543 0.79066201759473 0.19426119486164 15.999 > 65 67 O 0.46273482349543 0.45933798240527 0.30573880513836 15.999 > 67 68 O 0.46273482349543 0.95933798240527 0.30573880513836 15.999 > 67 69 O 0.03726517650457 0.04066201759473 0.80573880513836 15.999 > 69 70 O 0.03726517650457 0.54066201759473 0.80573880513836 15.999 > 69 71 O 0.53726517650457 0.20933798240527 0.69426119486164 15.999 > 71 72 O 0.53726517650457 0.70933798240527 0.69426119486164 15.999 > 71 73 O 0.03726517650457 0.20933798240527 0.80573880513836 15.999 > 73 74 O 0.03726517650457 0.70933798240527 0.80573880513836 15.999 > 73 75 O 0.53726517650457 0.04066201759473 0.69426119486164 15.999 > 75 76 O 0.53726517650457 0.54066201759473 0.69426119486164 15.999 > 75 77 O 0.96273482349543 0.45933798240527 0.19426119486164 15.999 > 77 78 O 0.96273482349543 0.95933798240527 0.19426119486164 15.999 > 77 79 O 0.46273482349543 0.29066201759473 0.30573880513836 15.999 > 79 80 O 0.46273482349543 0.79066201759473 0.30573880513836 15.999 > 79 81 O 0.13809608142711 0.37500000000000 0.33809914391033 15.999 > 81 82 O 0.13809608142711 0.87500000000000 0.33809914391033 15.999 > 81 83 O 0.63809608142711 0.37500000000000 0.16190085608967 15.999 > 83 84 O 0.63809608142711 0.87500000000000 0.16190085608967 15.999 > 83 85 O 0.86190391857289 0.12500000000000 0.66190085608967 15.999 > 85 86 O 0.86190391857289 0.62500000000000 0.66190085608967 15.999 > 85 87 O 0.36190391857289 0.12500000000000 0.83809914391033 15.999 > 87 88 O 0.36190391857289 0.62500000000000 0.83809914391033 15.999 > 87 89 O 0.87269523709639 0.37500000000000 0.40059298093511 15.999 > 89 90 O 0.87269523709639 0.87500000000000 0.40059298093511 15.999 > 89 91 O 0.37269523709640 0.37500000000000 0.09940701906489 15.999 > 91 92 O 0.37269523709640 0.87500000000000 0.09940701906489 15.999 > 91 93 O 0.12730476290361 0.12500000000000 0.59940701906489 15.999 > 93 94 O 0.12730476290361 0.62500000000000 0.59940701906489 15.999 > 93 95 O 0.62730476290361 0.12500000000000 0.90059298093511 15.999 > 95 96 O 0.62730476290361 0.62500000000000 0.90059298093511 15.999 > 95 97 O 0.80394178969812 0.37500000000000 0.64518546195559 15.999 > 97 98 O 0.80394178969812 0.87500000000000 0.64518546195559 15.999 > 97 99 O 0.30394178969811 0.37500000000000 0.85481453804441 15.999 > 99 100 O 0.30394178969811 0.87500000000000 0.85481453804441 15.999 > 99 101 O 0.19605821030188 0.12500000000000 0.35481453804441 15.999 > 101 102 O 0.19605821030188 0.62500000000000 0.35481453804441 15.999 > 101 103 O 0.69605821030188 0.12500000000000 0.14518546195559 15.999 > 103 104 O 0.69605821030188 0.62500000000000 0.14518546195559 15.999 > 103 105 O 0.06336842473242 0.37500000000000 0.57936263740962 15.999 > 105 106 O 0.06336842473242 0.87500000000000 0.57936263740962 15.999 > 105 107 O 0.56336842473242 0.37500000000000 0.92063736259038 15.999 > 107 108 O 0.56336842473242 0.87500000000000 0.92063736259038 15.999 > 107 109 O 0.93663157526758 0.12500000000000 0.42063736259038 15.999 > 109 110 O 0.93663157526758 0.62500000000000 0.42063736259038 15.999 > 109 111 O 0.43663157526758 0.12500000000000 0.07936263740962 15.999 > 111 112 O 0.43663157526758 0.62500000000000 0.07936263740962 15.999 > 111 113 O 0.32317813512134 0.37500000000000 0.51977873252315 15.999 > 113 114 O 0.32317813512134 0.87500000000000 0.51977873252315 15.999 > 113 115 O 0.82317813512134 0.37500000000000 0.98022126747685 15.999 > 115 116 O 0.82317813512134 0.87500000000000 0.98022126747685 15.999 > 115 117 O 0.67682186487866 0.12500000000000 0.48022126747685 15.999 > 117 118 O 0.67682186487866 0.62500000000000 0.48022126747685 15.999 > 117 119 O 0.17682186487866 0.12500000000000 0.01977873252315 15.999 > 119 120 O 0.17682186487866 0.62500000000000 0.01977873252315 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5083274 0.0000000 0.0000000 0.0000000 2.1974703 0.0000000 0.0000000 0.0000000 2.5170635 -------------------------- Born effective charges -------------------------- 1 Na 1.0564625 0.0264625 -0.1608355 0.0039835 1.0859225 0.0676320 -0.1188395 0.0688638 1.0631015 2 Na 1.0564625 -0.0264625 0.1608355 -0.0039835 1.0859225 0.0676320 0.1188395 0.0688638 1.0631015 3 Na 1.0564625 -0.0264625 -0.1608355 -0.0039835 1.0859225 -0.0676320 -0.1188395 -0.0688638 1.0631015 4 Na 1.0564625 0.0264625 0.1608355 0.0039835 1.0859225 -0.0676320 0.1188395 -0.0688638 1.0631015 5 Na 1.0564625 0.0264625 -0.1608355 0.0039835 1.0859225 0.0676320 -0.1188395 0.0688638 1.0631015 6 Na 1.0564625 -0.0264625 0.1608355 -0.0039835 1.0859225 0.0676320 0.1188395 0.0688638 1.0631015 7 Na 1.0564625 -0.0264625 -0.1608355 -0.0039835 1.0859225 -0.0676320 -0.1188395 -0.0688638 1.0631015 8 Na 1.0564625 0.0264625 0.1608355 0.0039835 1.0859225 -0.0676320 0.1188395 -0.0688638 1.0631015 9 Na 1.1336494 0.0000000 -0.0575332 0.0000000 1.0869698 0.0000000 0.0269830 0.0000000 1.1479129 10 Na 1.1336494 0.0000000 0.0575332 0.0000000 1.0869698 0.0000000 -0.0269830 0.0000000 1.1479129 11 Na 1.1336494 0.0000000 -0.0575332 0.0000000 1.0869698 0.0000000 0.0269830 0.0000000 1.1479129 12 Na 1.1336494 0.0000000 0.0575332 0.0000000 1.0869698 0.0000000 -0.0269830 0.0000000 1.1479129 13 B 1.9966263 0.0000000 0.3633841 0.0000000 1.7921590 0.0000000 0.1838102 0.0000000 2.6316954 14 B 1.9966263 0.0000000 -0.3633841 0.0000000 1.7921590 0.0000000 -0.1838102 0.0000000 2.6316954 15 B 1.9966263 0.0000000 0.3633841 0.0000000 1.7921590 0.0000000 0.1838102 0.0000000 2.6316954 16 B 1.9966263 0.0000000 -0.3633841 0.0000000 1.7921590 0.0000000 -0.1838102 0.0000000 2.6316954 17 B 2.4499984 0.0000000 -0.2436353 0.0000000 0.5771389 0.0000000 -0.4477711 0.0000000 2.5346400 18 B 2.4499984 0.0000000 0.2436353 0.0000000 0.5771389 0.0000000 0.4477711 0.0000000 2.5346400 19 B 2.4499984 0.0000000 -0.2436353 0.0000000 0.5771389 0.0000000 -0.4477711 0.0000000 2.5346400 20 B 2.4499984 0.0000000 0.2436353 0.0000000 0.5771389 0.0000000 0.4477711 0.0000000 2.5346400 21 B 2.8371198 0.0000000 0.2087738 0.0000000 0.5826272 0.0000000 -0.1076674 0.0000000 2.1121904 22 B 2.8371198 0.0000000 -0.2087738 0.0000000 0.5826272 0.0000000 0.1076674 0.0000000 2.1121904 23 B 2.8371198 0.0000000 0.2087738 0.0000000 0.5826272 0.0000000 -0.1076674 0.0000000 2.1121904 24 B 2.8371198 0.0000000 -0.2087738 0.0000000 0.5826272 0.0000000 0.1076674 0.0000000 2.1121904 25 H 0.6193702 -0.2540332 0.4759574 -0.1760164 0.4326024 -0.2533198 0.3505540 -0.2611498 0.8190220 26 H 0.6193702 0.2540332 -0.4759574 0.1760164 0.4326024 -0.2533198 -0.3505540 -0.2611498 0.8190220 27 H 0.6193702 0.2540332 0.4759574 0.1760164 0.4326024 0.2533198 0.3505540 0.2611498 0.8190220 28 H 0.6193702 -0.2540332 -0.4759574 -0.1760164 0.4326024 0.2533198 -0.3505540 0.2611498 0.8190220 29 H 0.6193702 -0.2540332 0.4759574 -0.1760164 0.4326024 -0.2533198 0.3505540 -0.2611498 0.8190220 30 H 0.6193702 0.2540332 -0.4759574 0.1760164 0.4326024 -0.2533198 -0.3505540 -0.2611498 0.8190220 31 H 0.6193702 0.2540332 0.4759574 0.1760164 0.4326024 0.2533198 0.3505540 0.2611498 0.8190220 32 H 0.6193702 -0.2540332 -0.4759574 -0.1760164 0.4326024 0.2533198 -0.3505540 0.2611498 0.8190220 33 O -1.1579173 -0.0027773 -0.4054041 0.0239109 -1.3940922 -0.1519962 -0.2772142 -0.3015962 -1.5975948 34 O -1.1579173 0.0027773 0.4054041 -0.0239109 -1.3940922 -0.1519962 0.2772142 -0.3015962 -1.5975948 35 O -1.1579173 0.0027773 -0.4054041 -0.0239109 -1.3940922 0.1519962 -0.2772142 0.3015962 -1.5975948 36 O -1.1579173 -0.0027773 0.4054041 0.0239109 -1.3940922 0.1519962 0.2772142 0.3015962 -1.5975948 37 O -1.1579173 -0.0027773 -0.4054041 0.0239109 -1.3940922 -0.1519962 -0.2772142 -0.3015962 -1.5975948 38 O -1.1579173 0.0027773 0.4054041 -0.0239109 -1.3940922 -0.1519962 0.2772142 -0.3015962 -1.5975948 39 O -1.1579173 0.0027773 -0.4054041 -0.0239109 -1.3940922 0.1519962 -0.2772142 0.3015962 -1.5975948 40 O -1.1579173 -0.0027773 0.4054041 0.0239109 -1.3940922 0.1519962 0.2772142 0.3015962 -1.5975948 41 O -1.7911625 0.0000000 -0.5969008 0.0000000 -0.7384507 0.0000000 -0.4577327 0.0000000 -1.8197649 42 O -1.7911625 0.0000000 0.5969008 0.0000000 -0.7384507 0.0000000 0.4577327 0.0000000 -1.8197649 43 O -1.7911625 0.0000000 -0.5969008 0.0000000 -0.7384507 0.0000000 -0.4577327 0.0000000 -1.8197649 44 O -1.7911625 0.0000000 0.5969008 0.0000000 -0.7384507 0.0000000 0.4577327 0.0000000 -1.8197649 45 O -1.2825118 0.0000000 0.0989906 0.0000000 -0.7812604 0.0000000 0.1872321 0.0000000 -2.3894580 46 O -1.2825118 0.0000000 -0.0989906 0.0000000 -0.7812604 0.0000000 -0.1872321 0.0000000 -2.3894580 47 O -1.2825118 0.0000000 0.0989906 0.0000000 -0.7812604 0.0000000 0.1872321 0.0000000 -2.3894580 48 O -1.2825118 0.0000000 -0.0989906 0.0000000 -0.7812604 0.0000000 -0.1872321 0.0000000 -2.3894580 49 O -1.6582118 0.0000000 0.5454334 0.0000000 -1.1183105 0.0000000 0.6257786 0.0000000 -1.8153407 50 O -1.6582118 0.0000000 -0.5454334 0.0000000 -1.1183105 0.0000000 -0.6257786 0.0000000 -1.8153407 51 O -1.6582118 0.0000000 0.5454334 0.0000000 -1.1183105 0.0000000 0.6257786 0.0000000 -1.8153407 52 O -1.6582118 0.0000000 -0.5454334 0.0000000 -1.1183105 0.0000000 -0.6257786 0.0000000 -1.8153407 53 O -2.4176937 0.0000000 0.2592912 0.0000000 -0.5954067 0.0000000 0.4074129 0.0000000 -1.3593913 54 O -2.4176937 0.0000000 -0.2592912 0.0000000 -0.5954067 0.0000000 -0.4074129 0.0000000 -1.3593913 55 O -2.4176937 0.0000000 0.2592912 0.0000000 -0.5954067 0.0000000 0.4074129 0.0000000 -1.3593913 56 O -2.4176937 0.0000000 -0.2592912 0.0000000 -0.5954067 0.0000000 -0.4074129 0.0000000 -1.3593913 57 O -2.3036451 0.0000000 -0.0168845 0.0000000 -1.0543320 0.0000000 0.1206510 0.0000000 -1.6115412 58 O -2.3036451 0.0000000 0.0168845 0.0000000 -1.0543320 0.0000000 -0.1206510 0.0000000 -1.6115412 59 O -2.3036451 0.0000000 -0.0168845 0.0000000 -1.0543320 0.0000000 0.1206510 0.0000000 -1.6115412 60 O -2.3036451 0.0000000 0.0168845 0.0000000 -1.0543320 0.0000000 -0.1206510 0.0000000 -1.6115412 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 89, 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] Computing fc3[ 105, 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[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:17:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:17:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.887408830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.147104890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.539566519999997 Atomic positions (fractional): 1 Na 0.22597108188506 0.49887826168511 0.19516494847415 22.990 2 Na 0.72597108188506 0.00112173831489 0.30483505152585 22.990 3 Na 0.77402891811494 0.99887826168511 0.80483505152585 22.990 4 Na 0.27402891811494 0.50112173831489 0.69516494847415 22.990 5 Na 0.77402891811494 0.50112173831489 0.80483505152585 22.990 6 Na 0.27402891811494 0.99887826168511 0.69516494847415 22.990 7 Na 0.22597108188506 0.00112173831489 0.19516494847415 22.990 8 Na 0.72597108188506 0.49887826168511 0.30483505152585 22.990 9 Na 0.95993434300860 0.25000000000000 0.16983470173373 22.990 10 Na 0.45993434300860 0.25000000000000 0.33016529826627 22.990 11 Na 0.04006565699140 0.75000000000000 0.83016529826627 22.990 12 Na 0.54006565699140 0.75000000000000 0.66983470173373 22.990 13 B 0.98325235081838 0.75000000000000 0.28352986237134 10.811 14 B 0.48325235081838 0.75000000000000 0.21647013762866 10.811 15 B 0.01674764918162 0.25000000000000 0.71647013762866 10.811 16 B 0.51674764918162 0.25000000000000 0.78352986237134 10.811 17 B 0.90639600072189 0.75000000000000 0.54367150169189 10.811 18 B 0.40639600072189 0.75000000000000 0.95632849830811 10.811 19 B 0.09360399927811 0.25000000000000 0.45632849830811 10.811 20 B 0.59360399927811 0.25000000000000 0.04367150169189 10.811 21 B 0.17747096430619 0.75000000000000 0.47778768951164 10.811 22 B 0.67747096430619 0.75000000000000 0.02221231048837 10.811 23 B 0.82252903569381 0.25000000000000 0.52221231048837 10.811 24 B 0.32252903569381 0.25000000000000 0.97778768951163 10.811 25 H 0.91134280368158 0.62480682683232 0.10586467676316 1.008 26 H 0.41134280368157 0.87519317316768 0.39413532323684 1.008 27 H 0.08865719631843 0.12480682683232 0.89413532323684 1.008 28 H 0.58865719631842 0.37519317316768 0.60586467676316 1.008 29 H 0.08865719631843 0.37519317316768 0.89413532323684 1.008 30 H 0.58865719631842 0.12480682683232 0.60586467676316 1.008 31 H 0.91134280368158 0.87519317316768 0.10586467676316 1.008 32 H 0.41134280368157 0.62480682683232 0.39413532323684 1.008 33 O 0.96273482349543 0.58132403518946 0.19426119486164 15.999 34 O 0.46273482349543 0.91867596481054 0.30573880513836 15.999 35 O 0.03726517650457 0.08132403518946 0.80573880513836 15.999 36 O 0.53726517650457 0.41867596481054 0.69426119486164 15.999 37 O 0.03726517650457 0.41867596481054 0.80573880513836 15.999 38 O 0.53726517650457 0.08132403518946 0.69426119486164 15.999 39 O 0.96273482349543 0.91867596481054 0.19426119486164 15.999 40 O 0.46273482349543 0.58132403518946 0.30573880513836 15.999 41 O 0.13809608142711 0.75000000000000 0.33809914391033 15.999 42 O 0.63809608142711 0.75000000000000 0.16190085608967 15.999 43 O 0.86190391857289 0.25000000000000 0.66190085608967 15.999 44 O 0.36190391857289 0.25000000000000 0.83809914391033 15.999 45 O 0.87269523709639 0.75000000000000 0.40059298093511 15.999 46 O 0.37269523709640 0.75000000000000 0.09940701906489 15.999 47 O 0.12730476290361 0.25000000000000 0.59940701906489 15.999 48 O 0.62730476290361 0.25000000000000 0.90059298093511 15.999 49 O 0.80394178969812 0.75000000000000 0.64518546195559 15.999 50 O 0.30394178969811 0.75000000000000 0.85481453804441 15.999 51 O 0.19605821030188 0.25000000000000 0.35481453804441 15.999 52 O 0.69605821030188 0.25000000000000 0.14518546195559 15.999 53 O 0.06336842473242 0.75000000000000 0.57936263740962 15.999 54 O 0.56336842473242 0.75000000000000 0.92063736259038 15.999 55 O 0.93663157526758 0.25000000000000 0.42063736259038 15.999 56 O 0.43663157526758 0.25000000000000 0.07936263740962 15.999 57 O 0.32317813512134 0.75000000000000 0.51977873252315 15.999 58 O 0.82317813512134 0.75000000000000 0.98022126747685 15.999 59 O 0.67682186487866 0.25000000000000 0.48022126747685 15.999 60 O 0.17682186487866 0.25000000000000 0.01977873252315 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.887408830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.294209779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.539566519999997 Atomic positions (fractional): 1 Na 0.22597108188506 0.24943913084255 0.19516494847415 22.990 > 1 2 Na 0.22597108188506 0.74943913084255 0.19516494847415 22.990 > 1 3 Na 0.72597108188506 0.00056086915745 0.30483505152585 22.990 > 3 4 Na 0.72597108188506 0.50056086915745 0.30483505152585 22.990 > 3 5 Na 0.77402891811494 0.49943913084255 0.80483505152585 22.990 > 5 6 Na 0.77402891811494 0.99943913084255 0.80483505152585 22.990 > 5 7 Na 0.27402891811494 0.25056086915745 0.69516494847415 22.990 > 7 8 Na 0.27402891811494 0.75056086915745 0.69516494847415 22.990 > 7 9 Na 0.77402891811494 0.25056086915745 0.80483505152585 22.990 > 9 10 Na 0.77402891811494 0.75056086915745 0.80483505152585 22.990 > 9 11 Na 0.27402891811494 0.49943913084255 0.69516494847415 22.990 > 11 12 Na 0.27402891811494 0.99943913084255 0.69516494847415 22.990 > 11 13 Na 0.22597108188506 0.00056086915745 0.19516494847415 22.990 > 13 14 Na 0.22597108188506 0.50056086915745 0.19516494847415 22.990 > 13 15 Na 0.72597108188506 0.24943913084255 0.30483505152585 22.990 > 15 16 Na 0.72597108188506 0.74943913084255 0.30483505152585 22.990 > 15 17 Na 0.95993434300860 0.12500000000000 0.16983470173373 22.990 > 17 18 Na 0.95993434300860 0.62500000000000 0.16983470173373 22.990 > 17 19 Na 0.45993434300860 0.12500000000000 0.33016529826627 22.990 > 19 20 Na 0.45993434300860 0.62500000000000 0.33016529826627 22.990 > 19 21 Na 0.04006565699140 0.37500000000000 0.83016529826627 22.990 > 21 22 Na 0.04006565699140 0.87500000000000 0.83016529826627 22.990 > 21 23 Na 0.54006565699140 0.37500000000000 0.66983470173373 22.990 > 23 24 Na 0.54006565699140 0.87500000000000 0.66983470173373 22.990 > 23 25 B 0.98325235081838 0.37500000000000 0.28352986237134 10.811 > 25 26 B 0.98325235081838 0.87500000000000 0.28352986237134 10.811 > 25 27 B 0.48325235081838 0.37500000000000 0.21647013762866 10.811 > 27 28 B 0.48325235081838 0.87500000000000 0.21647013762866 10.811 > 27 29 B 0.01674764918162 0.12500000000000 0.71647013762866 10.811 > 29 30 B 0.01674764918162 0.62500000000000 0.71647013762866 10.811 > 29 31 B 0.51674764918162 0.12500000000000 0.78352986237134 10.811 > 31 32 B 0.51674764918162 0.62500000000000 0.78352986237134 10.811 > 31 33 B 0.90639600072189 0.37500000000000 0.54367150169189 10.811 > 33 34 B 0.90639600072189 0.87500000000000 0.54367150169189 10.811 > 33 35 B 0.40639600072189 0.37500000000000 0.95632849830811 10.811 > 35 36 B 0.40639600072189 0.87500000000000 0.95632849830811 10.811 > 35 37 B 0.09360399927811 0.12500000000000 0.45632849830811 10.811 > 37 38 B 0.09360399927811 0.62500000000000 0.45632849830811 10.811 > 37 39 B 0.59360399927811 0.12500000000000 0.04367150169189 10.811 > 39 40 B 0.59360399927811 0.62500000000000 0.04367150169189 10.811 > 39 41 B 0.17747096430619 0.37500000000000 0.47778768951164 10.811 > 41 42 B 0.17747096430619 0.87500000000000 0.47778768951164 10.811 > 41 43 B 0.67747096430619 0.37500000000000 0.02221231048837 10.811 > 43 44 B 0.67747096430619 0.87500000000000 0.02221231048837 10.811 > 43 45 B 0.82252903569381 0.12500000000000 0.52221231048837 10.811 > 45 46 B 0.82252903569381 0.62500000000000 0.52221231048837 10.811 > 45 47 B 0.32252903569381 0.12500000000000 0.97778768951163 10.811 > 47 48 B 0.32252903569381 0.62500000000000 0.97778768951163 10.811 > 47 49 H 0.91134280368158 0.31240341341616 0.10586467676316 1.008 > 49 50 H 0.91134280368158 0.81240341341616 0.10586467676316 1.008 > 49 51 H 0.41134280368157 0.43759658658384 0.39413532323684 1.008 > 51 52 H 0.41134280368157 0.93759658658384 0.39413532323684 1.008 > 51 53 H 0.08865719631843 0.06240341341616 0.89413532323684 1.008 > 53 54 H 0.08865719631843 0.56240341341616 0.89413532323684 1.008 > 53 55 H 0.58865719631842 0.18759658658384 0.60586467676316 1.008 > 55 56 H 0.58865719631842 0.68759658658384 0.60586467676316 1.008 > 55 57 H 0.08865719631843 0.18759658658384 0.89413532323684 1.008 > 57 58 H 0.08865719631843 0.68759658658384 0.89413532323684 1.008 > 57 59 H 0.58865719631842 0.06240341341616 0.60586467676316 1.008 > 59 60 H 0.58865719631842 0.56240341341616 0.60586467676316 1.008 > 59 61 H 0.91134280368158 0.43759658658384 0.10586467676316 1.008 > 61 62 H 0.91134280368158 0.93759658658384 0.10586467676316 1.008 > 61 63 H 0.41134280368157 0.31240341341616 0.39413532323684 1.008 > 63 64 H 0.41134280368157 0.81240341341616 0.39413532323684 1.008 > 63 65 O 0.96273482349543 0.29066201759473 0.19426119486164 15.999 > 65 66 O 0.96273482349543 0.79066201759473 0.19426119486164 15.999 > 65 67 O 0.46273482349543 0.45933798240527 0.30573880513836 15.999 > 67 68 O 0.46273482349543 0.95933798240527 0.30573880513836 15.999 > 67 69 O 0.03726517650457 0.04066201759473 0.80573880513836 15.999 > 69 70 O 0.03726517650457 0.54066201759473 0.80573880513836 15.999 > 69 71 O 0.53726517650457 0.20933798240527 0.69426119486164 15.999 > 71 72 O 0.53726517650457 0.70933798240527 0.69426119486164 15.999 > 71 73 O 0.03726517650457 0.20933798240527 0.80573880513836 15.999 > 73 74 O 0.03726517650457 0.70933798240527 0.80573880513836 15.999 > 73 75 O 0.53726517650457 0.04066201759473 0.69426119486164 15.999 > 75 76 O 0.53726517650457 0.54066201759473 0.69426119486164 15.999 > 75 77 O 0.96273482349543 0.45933798240527 0.19426119486164 15.999 > 77 78 O 0.96273482349543 0.95933798240527 0.19426119486164 15.999 > 77 79 O 0.46273482349543 0.29066201759473 0.30573880513836 15.999 > 79 80 O 0.46273482349543 0.79066201759473 0.30573880513836 15.999 > 79 81 O 0.13809608142711 0.37500000000000 0.33809914391033 15.999 > 81 82 O 0.13809608142711 0.87500000000000 0.33809914391033 15.999 > 81 83 O 0.63809608142711 0.37500000000000 0.16190085608967 15.999 > 83 84 O 0.63809608142711 0.87500000000000 0.16190085608967 15.999 > 83 85 O 0.86190391857289 0.12500000000000 0.66190085608967 15.999 > 85 86 O 0.86190391857289 0.62500000000000 0.66190085608967 15.999 > 85 87 O 0.36190391857289 0.12500000000000 0.83809914391033 15.999 > 87 88 O 0.36190391857289 0.62500000000000 0.83809914391033 15.999 > 87 89 O 0.87269523709639 0.37500000000000 0.40059298093511 15.999 > 89 90 O 0.87269523709639 0.87500000000000 0.40059298093511 15.999 > 89 91 O 0.37269523709640 0.37500000000000 0.09940701906489 15.999 > 91 92 O 0.37269523709640 0.87500000000000 0.09940701906489 15.999 > 91 93 O 0.12730476290361 0.12500000000000 0.59940701906489 15.999 > 93 94 O 0.12730476290361 0.62500000000000 0.59940701906489 15.999 > 93 95 O 0.62730476290361 0.12500000000000 0.90059298093511 15.999 > 95 96 O 0.62730476290361 0.62500000000000 0.90059298093511 15.999 > 95 97 O 0.80394178969812 0.37500000000000 0.64518546195559 15.999 > 97 98 O 0.80394178969812 0.87500000000000 0.64518546195559 15.999 > 97 99 O 0.30394178969811 0.37500000000000 0.85481453804441 15.999 > 99 100 O 0.30394178969811 0.87500000000000 0.85481453804441 15.999 > 99 101 O 0.19605821030188 0.12500000000000 0.35481453804441 15.999 > 101 102 O 0.19605821030188 0.62500000000000 0.35481453804441 15.999 > 101 103 O 0.69605821030188 0.12500000000000 0.14518546195559 15.999 > 103 104 O 0.69605821030188 0.62500000000000 0.14518546195559 15.999 > 103 105 O 0.06336842473242 0.37500000000000 0.57936263740962 15.999 > 105 106 O 0.06336842473242 0.87500000000000 0.57936263740962 15.999 > 105 107 O 0.56336842473242 0.37500000000000 0.92063736259038 15.999 > 107 108 O 0.56336842473242 0.87500000000000 0.92063736259038 15.999 > 107 109 O 0.93663157526758 0.12500000000000 0.42063736259038 15.999 > 109 110 O 0.93663157526758 0.62500000000000 0.42063736259038 15.999 > 109 111 O 0.43663157526758 0.12500000000000 0.07936263740962 15.999 > 111 112 O 0.43663157526758 0.62500000000000 0.07936263740962 15.999 > 111 113 O 0.32317813512134 0.37500000000000 0.51977873252315 15.999 > 113 114 O 0.32317813512134 0.87500000000000 0.51977873252315 15.999 > 113 115 O 0.82317813512134 0.37500000000000 0.98022126747685 15.999 > 115 116 O 0.82317813512134 0.87500000000000 0.98022126747685 15.999 > 115 117 O 0.67682186487866 0.12500000000000 0.48022126747685 15.999 > 117 118 O 0.67682186487866 0.62500000000000 0.48022126747685 15.999 > 117 119 O 0.17682186487866 0.12500000000000 0.01977873252315 15.999 > 119 120 O 0.17682186487866 0.62500000000000 0.01977873252315 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5083274 0.0000000 0.0000000 0.0000000 2.1974703 0.0000000 0.0000000 0.0000000 2.5170635 -------------------------- Born effective charges -------------------------- 1 Na 1.0564625 0.0264625 -0.1608355 0.0039835 1.0859225 0.0676320 -0.1188395 0.0688638 1.0631015 2 Na 1.0564625 -0.0264625 0.1608355 -0.0039835 1.0859225 0.0676320 0.1188395 0.0688638 1.0631015 3 Na 1.0564625 -0.0264625 -0.1608355 -0.0039835 1.0859225 -0.0676320 -0.1188395 -0.0688638 1.0631015 4 Na 1.0564625 0.0264625 0.1608355 0.0039835 1.0859225 -0.0676320 0.1188395 -0.0688638 1.0631015 5 Na 1.0564625 0.0264625 -0.1608355 0.0039835 1.0859225 0.0676320 -0.1188395 0.0688638 1.0631015 6 Na 1.0564625 -0.0264625 0.1608355 -0.0039835 1.0859225 0.0676320 0.1188395 0.0688638 1.0631015 7 Na 1.0564625 -0.0264625 -0.1608355 -0.0039835 1.0859225 -0.0676320 -0.1188395 -0.0688638 1.0631015 8 Na 1.0564625 0.0264625 0.1608355 0.0039835 1.0859225 -0.0676320 0.1188395 -0.0688638 1.0631015 9 Na 1.1336494 0.0000000 -0.0575332 0.0000000 1.0869698 0.0000000 0.0269830 0.0000000 1.1479129 10 Na 1.1336494 0.0000000 0.0575332 0.0000000 1.0869698 0.0000000 -0.0269830 0.0000000 1.1479129 11 Na 1.1336494 0.0000000 -0.0575332 0.0000000 1.0869698 0.0000000 0.0269830 0.0000000 1.1479129 12 Na 1.1336494 0.0000000 0.0575332 0.0000000 1.0869698 0.0000000 -0.0269830 0.0000000 1.1479129 13 B 1.9966263 0.0000000 0.3633841 0.0000000 1.7921590 0.0000000 0.1838102 0.0000000 2.6316954 14 B 1.9966263 0.0000000 -0.3633841 0.0000000 1.7921590 0.0000000 -0.1838102 0.0000000 2.6316954 15 B 1.9966263 0.0000000 0.3633841 0.0000000 1.7921590 0.0000000 0.1838102 0.0000000 2.6316954 16 B 1.9966263 0.0000000 -0.3633841 0.0000000 1.7921590 0.0000000 -0.1838102 0.0000000 2.6316954 17 B 2.4499984 0.0000000 -0.2436353 0.0000000 0.5771389 0.0000000 -0.4477711 0.0000000 2.5346400 18 B 2.4499984 0.0000000 0.2436353 0.0000000 0.5771389 0.0000000 0.4477711 0.0000000 2.5346400 19 B 2.4499984 0.0000000 -0.2436353 0.0000000 0.5771389 0.0000000 -0.4477711 0.0000000 2.5346400 20 B 2.4499984 0.0000000 0.2436353 0.0000000 0.5771389 0.0000000 0.4477711 0.0000000 2.5346400 21 B 2.8371198 0.0000000 0.2087738 0.0000000 0.5826272 0.0000000 -0.1076674 0.0000000 2.1121904 22 B 2.8371198 0.0000000 -0.2087738 0.0000000 0.5826272 0.0000000 0.1076674 0.0000000 2.1121904 23 B 2.8371198 0.0000000 0.2087738 0.0000000 0.5826272 0.0000000 -0.1076674 0.0000000 2.1121904 24 B 2.8371198 0.0000000 -0.2087738 0.0000000 0.5826272 0.0000000 0.1076674 0.0000000 2.1121904 25 H 0.6193702 -0.2540332 0.4759574 -0.1760164 0.4326024 -0.2533198 0.3505540 -0.2611498 0.8190220 26 H 0.6193702 0.2540332 -0.4759574 0.1760164 0.4326024 -0.2533198 -0.3505540 -0.2611498 0.8190220 27 H 0.6193702 0.2540332 0.4759574 0.1760164 0.4326024 0.2533198 0.3505540 0.2611498 0.8190220 28 H 0.6193702 -0.2540332 -0.4759574 -0.1760164 0.4326024 0.2533198 -0.3505540 0.2611498 0.8190220 29 H 0.6193702 -0.2540332 0.4759574 -0.1760164 0.4326024 -0.2533198 0.3505540 -0.2611498 0.8190220 30 H 0.6193702 0.2540332 -0.4759574 0.1760164 0.4326024 -0.2533198 -0.3505540 -0.2611498 0.8190220 31 H 0.6193702 0.2540332 0.4759574 0.1760164 0.4326024 0.2533198 0.3505540 0.2611498 0.8190220 32 H 0.6193702 -0.2540332 -0.4759574 -0.1760164 0.4326024 0.2533198 -0.3505540 0.2611498 0.8190220 33 O -1.1579173 -0.0027773 -0.4054041 0.0239109 -1.3940922 -0.1519962 -0.2772142 -0.3015962 -1.5975948 34 O -1.1579173 0.0027773 0.4054041 -0.0239109 -1.3940922 -0.1519962 0.2772142 -0.3015962 -1.5975948 35 O -1.1579173 0.0027773 -0.4054041 -0.0239109 -1.3940922 0.1519962 -0.2772142 0.3015962 -1.5975948 36 O -1.1579173 -0.0027773 0.4054041 0.0239109 -1.3940922 0.1519962 0.2772142 0.3015962 -1.5975948 37 O -1.1579173 -0.0027773 -0.4054041 0.0239109 -1.3940922 -0.1519962 -0.2772142 -0.3015962 -1.5975948 38 O -1.1579173 0.0027773 0.4054041 -0.0239109 -1.3940922 -0.1519962 0.2772142 -0.3015962 -1.5975948 39 O -1.1579173 0.0027773 -0.4054041 -0.0239109 -1.3940922 0.1519962 -0.2772142 0.3015962 -1.5975948 40 O -1.1579173 -0.0027773 0.4054041 0.0239109 -1.3940922 0.1519962 0.2772142 0.3015962 -1.5975948 41 O -1.7911625 0.0000000 -0.5969008 0.0000000 -0.7384507 0.0000000 -0.4577327 0.0000000 -1.8197649 42 O -1.7911625 0.0000000 0.5969008 0.0000000 -0.7384507 0.0000000 0.4577327 0.0000000 -1.8197649 43 O -1.7911625 0.0000000 -0.5969008 0.0000000 -0.7384507 0.0000000 -0.4577327 0.0000000 -1.8197649 44 O -1.7911625 0.0000000 0.5969008 0.0000000 -0.7384507 0.0000000 0.4577327 0.0000000 -1.8197649 45 O -1.2825118 0.0000000 0.0989906 0.0000000 -0.7812604 0.0000000 0.1872321 0.0000000 -2.3894580 46 O -1.2825118 0.0000000 -0.0989906 0.0000000 -0.7812604 0.0000000 -0.1872321 0.0000000 -2.3894580 47 O -1.2825118 0.0000000 0.0989906 0.0000000 -0.7812604 0.0000000 0.1872321 0.0000000 -2.3894580 48 O -1.2825118 0.0000000 -0.0989906 0.0000000 -0.7812604 0.0000000 -0.1872321 0.0000000 -2.3894580 49 O -1.6582118 0.0000000 0.5454334 0.0000000 -1.1183105 0.0000000 0.6257786 0.0000000 -1.8153407 50 O -1.6582118 0.0000000 -0.5454334 0.0000000 -1.1183105 0.0000000 -0.6257786 0.0000000 -1.8153407 51 O -1.6582118 0.0000000 0.5454334 0.0000000 -1.1183105 0.0000000 0.6257786 0.0000000 -1.8153407 52 O -1.6582118 0.0000000 -0.5454334 0.0000000 -1.1183105 0.0000000 -0.6257786 0.0000000 -1.8153407 53 O -2.4176937 0.0000000 0.2592912 0.0000000 -0.5954067 0.0000000 0.4074129 0.0000000 -1.3593913 54 O -2.4176937 0.0000000 -0.2592912 0.0000000 -0.5954067 0.0000000 -0.4074129 0.0000000 -1.3593913 55 O -2.4176937 0.0000000 0.2592912 0.0000000 -0.5954067 0.0000000 0.4074129 0.0000000 -1.3593913 56 O -2.4176937 0.0000000 -0.2592912 0.0000000 -0.5954067 0.0000000 -0.4074129 0.0000000 -1.3593913 57 O -2.3036451 0.0000000 -0.0168845 0.0000000 -1.0543320 0.0000000 0.1206510 0.0000000 -1.6115412 58 O -2.3036451 0.0000000 0.0168845 0.0000000 -1.0543320 0.0000000 -0.1206510 0.0000000 -1.6115412 59 O -2.3036451 0.0000000 -0.0168845 0.0000000 -1.0543320 0.0000000 0.1206510 0.0000000 -1.6115412 60 O -2.3036451 0.0000000 0.0168845 0.0000000 -1.0543320 0.0000000 -0.1206510 0.0000000 -1.6115412 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 319, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.546 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.679 ( 0.000 0.000 0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.552 ( 0.000 0.000 0.000) 0.000 4.641 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.887 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.183 ( 0.000 0.000 0.000) 0.000 5.212 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.712 ( 0.000 0.000 0.000) 0.000 5.829 ( 0.000 0.000 0.000) 0.000 5.855 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 5.963 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.117 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 6.321 ( 0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.611 ( 0.000 0.000 0.000) 0.000 6.612 ( 0.000 0.000 0.000) 0.000 6.688 ( 0.000 0.000 0.000) 0.000 6.827 ( 0.000 0.000 0.000) 0.000 6.839 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 6.914 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 7.003 ( 0.000 0.000 0.000) 0.000 7.014 ( 0.000 0.000 0.000) 0.000 7.154 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.449 ( 0.000 0.000 0.000) 0.000 7.490 ( 0.000 0.000 0.000) 0.000 7.619 ( 0.000 0.000 0.000) 0.000 7.988 ( 0.000 0.000 0.000) 0.000 8.071 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 8.593 ( 0.000 0.000 0.000) 0.000 8.999 ( 0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 10.538 ( 0.000 0.000 0.000) 0.000 10.561 ( 0.000 0.000 0.000) 0.000 10.758 ( 0.000 0.000 0.000) 0.000 11.031 ( 0.000 0.000 0.000) 0.000 11.059 ( 0.000 0.000 0.000) 0.000 11.208 ( 0.000 0.000 0.000) 0.000 11.212 ( 0.000 0.000 0.000) 0.000 11.287 ( 0.000 0.000 0.000) 0.000 11.311 ( 0.000 0.000 0.000) 0.000 11.400 ( 0.000 0.000 0.000) 0.000 11.555 ( 0.000 0.000 0.000) 0.000 12.377 ( 0.000 0.000 0.000) 0.000 12.435 ( 0.000 0.000 0.000) 0.000 12.824 ( 0.000 0.000 0.000) 0.000 12.874 ( 0.000 0.000 0.000) 0.000 13.690 ( 0.000 0.000 0.000) 0.000 13.788 ( 0.000 0.000 0.000) 0.000 13.835 ( 0.000 0.000 0.000) 0.000 13.924 ( 0.000 0.000 0.000) 0.000 15.271 ( 0.000 0.000 0.000) 0.000 15.497 ( 0.000 0.000 0.000) 0.000 15.594 ( 0.000 0.000 0.000) 0.000 15.597 ( 0.000 0.000 0.000) 0.000 15.695 ( 0.000 0.000 0.000) 0.000 15.723 ( 0.000 0.000 0.000) 0.000 15.952 ( 0.000 0.000 0.000) 0.000 16.039 ( 0.000 0.000 0.000) 0.000 18.001 ( 0.000 0.000 0.000) 0.000 18.013 ( 0.000 0.000 0.000) 0.000 18.019 ( 0.000 0.000 0.000) 0.000 18.108 ( 0.000 0.000 0.000) 0.000 18.855 ( 0.000 0.000 0.000) 0.000 18.976 ( 0.000 0.000 0.000) 0.000 19.099 ( 0.000 0.000 0.000) 0.000 19.168 ( 0.000 0.000 0.000) 0.000 19.927 ( 0.000 0.000 0.000) 0.000 19.949 ( 0.000 0.000 0.000) 0.000 20.354 ( 0.000 0.000 0.000) 0.000 20.362 ( 0.000 0.000 0.000) 0.000 20.541 ( 0.000 0.000 0.000) 0.000 20.570 ( 0.000 0.000 0.000) 0.000 21.321 ( 0.000 0.000 0.000) 0.000 21.324 ( 0.000 0.000 0.000) 0.000 21.794 ( 0.000 0.000 0.000) 0.000 21.796 ( 0.000 0.000 0.000) 0.000 21.802 ( 0.000 0.000 0.000) 0.000 21.806 ( 0.000 0.000 0.000) 0.000 25.180 ( 0.000 0.000 0.000) 0.000 25.249 ( 0.000 0.000 0.000) 0.000 25.301 ( 0.000 0.000 0.000) 0.000 25.503 ( 0.000 0.000 0.000) 0.000 25.784 ( 0.000 0.000 0.000) 0.000 25.792 ( 0.000 0.000 0.000) 0.000 26.062 ( 0.000 0.000 0.000) 0.000 26.120 ( 0.000 0.000 0.000) 0.000 27.198 ( 0.000 0.000 0.000) 0.000 27.205 ( 0.000 0.000 0.000) 0.000 27.401 ( 0.000 0.000 0.000) 0.000 27.609 ( 0.000 0.000 0.000) 0.000 28.047 ( 0.000 0.000 0.000) 0.000 28.057 ( 0.000 0.000 0.000) 0.000 28.108 ( 0.000 0.000 0.000) 0.000 28.126 ( 0.000 0.000 0.000) 0.000 28.361 ( 0.000 0.000 0.000) 0.000 28.788 ( 0.000 0.000 0.000) 0.000 28.945 ( 0.000 0.000 0.000) 0.000 29.085 ( 0.000 0.000 0.000) 0.000 29.519 ( 0.000 0.000 0.000) 0.000 29.626 ( 0.000 0.000 0.000) 0.000 29.950 ( 0.000 0.000 0.000) 0.000 30.851 ( 0.000 0.000 0.000) 0.000 30.969 ( 0.000 0.000 0.000) 0.000 30.977 ( 0.000 0.000 0.000) 0.000 31.701 ( 0.000 0.000 0.000) 0.000 31.826 ( 0.000 0.000 0.000) 0.000 34.212 ( 0.000 0.000 0.000) 0.000 34.758 ( 0.000 0.000 0.000) 0.000 34.805 ( 0.000 0.000 0.000) 0.000 35.916 ( 0.000 0.000 0.000) 0.000 36.171 ( 0.000 0.000 0.000) 0.000 36.201 ( 0.000 0.000 0.000) 0.000 37.112 ( 0.000 0.000 0.000) 0.000 37.189 ( 0.000 0.000 0.000) 0.000 38.117 ( 0.000 0.000 0.000) 0.000 38.435 ( 0.000 0.000 0.000) 0.000 38.516 ( 0.000 0.000 0.000) 0.000 39.229 ( 0.000 0.000 0.000) 0.000 39.970 ( 0.000 0.000 0.000) 0.000 40.154 ( 0.000 0.000 0.000) 0.000 41.000 ( 0.000 0.000 0.000) 0.000 41.671 ( 0.000 0.000 0.000) 0.000 42.607 ( 0.000 0.000 0.000) 0.000 42.716 ( 0.000 0.000 0.000) 0.000 42.919 ( 0.000 0.000 0.000) 0.000 42.926 ( 0.000 0.000 0.000) 0.000 43.371 ( 0.000 0.000 0.000) 0.000 43.660 ( 0.000 0.000 0.000) 0.000 43.892 ( 0.000 0.000 0.000) 0.000 44.252 ( 0.000 0.000 0.000) 0.000 90.273 ( 0.000 0.000 0.000) 0.000 90.324 ( 0.000 0.000 0.000) 0.000 90.345 ( 0.000 0.000 0.000) 0.000 90.386 ( 0.000 0.000 0.000) 0.000 93.754 ( 0.000 0.000 0.000) 0.000 94.399 ( 0.000 0.000 0.000) 0.000 94.577 ( 0.000 0.000 0.000) 0.000 94.768 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 28.452 0.000 0.000) 28.452 0.816 ( 43.942 0.000 0.000) 43.942 1.411 ( 72.557 0.000 0.000) 72.557 1.653 ( 10.791 0.000 0.000) 10.791 2.466 ( 5.718 0.000 0.000) 5.718 2.804 ( -17.187 0.000 0.000) 17.187 2.943 ( -4.953 0.000 0.000) 4.953 3.018 ( -18.879 0.000 0.000) 18.879 3.222 ( -0.043 0.000 0.000) 0.043 3.237 ( 20.041 0.000 0.000) 20.041 3.556 ( -13.325 0.000 0.000) 13.325 3.649 ( 5.909 0.000 0.000) 5.909 3.786 ( -1.228 0.000 0.000) 1.228 3.817 ( 3.435 0.000 0.000) 3.435 3.903 ( 15.183 0.000 0.000) 15.183 3.929 ( 2.273 0.000 0.000) 2.273 3.974 ( 7.782 0.000 0.000) 7.782 4.173 ( -4.853 0.000 0.000) 4.853 4.190 ( 1.571 0.000 0.000) 1.571 4.236 ( 2.809 0.000 0.000) 2.809 4.309 ( -11.424 0.000 0.000) 11.424 4.339 ( 10.502 0.000 0.000) 10.502 4.437 ( -0.676 0.000 0.000) 0.676 4.564 ( 3.308 0.000 0.000) 3.308 4.629 ( -1.912 0.000 0.000) 1.912 4.639 ( -4.645 0.000 0.000) 4.645 4.808 ( 4.997 0.000 0.000) 4.997 4.819 ( -1.022 0.000 0.000) 1.022 4.957 ( -2.622 0.000 0.000) 2.622 5.010 ( 14.047 0.000 0.000) 14.047 5.085 ( -8.280 0.000 0.000) 8.280 5.168 ( 4.591 0.000 0.000) 4.591 5.228 ( -2.813 0.000 0.000) 2.813 5.306 ( -4.172 0.000 0.000) 4.172 5.322 ( 11.148 0.000 0.000) 11.148 5.399 ( 8.988 0.000 0.000) 8.988 5.459 ( -3.232 0.000 0.000) 3.232 5.569 ( 7.897 0.000 0.000) 7.897 5.625 ( -20.491 0.000 0.000) 20.491 5.746 ( 3.415 0.000 0.000) 3.415 5.765 ( 4.122 0.000 0.000) 4.122 5.776 ( -5.472 0.000 0.000) 5.472 5.869 ( -2.734 0.000 0.000) 2.734 5.969 ( 4.560 0.000 0.000) 4.560 6.050 ( 4.029 0.000 0.000) 4.029 6.050 ( 2.211 0.000 0.000) 2.211 6.151 ( -3.283 0.000 0.000) 3.283 6.209 ( -1.852 0.000 0.000) 1.852 6.274 ( -4.453 0.000 0.000) 4.453 6.380 ( 16.328 0.000 0.000) 16.328 6.414 ( -3.088 0.000 0.000) 3.088 6.555 ( -3.255 0.000 0.000) 3.255 6.575 ( -2.896 0.000 0.000) 2.896 6.717 ( 3.628 0.000 0.000) 3.628 6.753 ( -7.736 0.000 0.000) 7.736 6.837 ( -1.156 0.000 0.000) 1.156 6.874 ( -1.626 0.000 0.000) 1.626 6.899 ( 3.946 0.000 0.000) 3.946 6.949 ( -14.283 0.000 0.000) 14.283 7.021 ( 1.879 0.000 0.000) 1.879 7.025 ( 6.481 0.000 0.000) 6.481 7.059 ( 2.986 0.000 0.000) 2.986 7.170 ( -6.701 0.000 0.000) 6.701 7.396 ( 2.511 0.000 0.000) 2.511 7.510 ( 2.608 0.000 0.000) 2.608 7.615 ( 2.771 0.000 0.000) 2.771 7.986 ( 0.041 0.000 0.000) 0.041 8.102 ( 5.590 0.000 0.000) 5.590 8.113 ( 4.374 0.000 0.000) 4.374 8.553 ( -2.759 0.000 0.000) 2.759 8.613 ( 2.197 0.000 0.000) 2.197 8.967 ( -3.268 0.000 0.000) 3.268 10.292 ( 1.368 0.000 0.000) 1.368 10.531 ( -0.904 0.000 0.000) 0.904 10.598 ( -3.378 0.000 0.000) 3.378 10.732 ( -2.934 0.000 0.000) 2.934 11.059 ( 2.973 0.000 0.000) 2.973 11.097 ( 3.841 0.000 0.000) 3.841 11.204 ( -0.769 0.000 0.000) 0.769 11.217 ( 0.378 0.000 0.000) 0.378 11.299 ( 1.043 0.000 0.000) 1.043 11.300 ( -0.849 0.000 0.000) 0.849 11.379 ( -2.203 0.000 0.000) 2.203 11.525 ( -3.218 0.000 0.000) 3.218 12.358 ( -1.717 0.000 0.000) 1.717 12.522 ( -0.651 0.000 0.000) 0.651 12.732 ( -8.916 0.000 0.000) 8.916 12.814 ( -5.946 0.000 0.000) 5.946 13.765 ( 7.537 0.000 0.000) 7.537 13.857 ( 6.982 0.000 0.000) 6.982 13.894 ( 5.982 0.000 0.000) 5.982 13.987 ( 6.133 0.000 0.000) 6.133 15.239 ( -3.037 0.000 0.000) 3.037 15.457 ( -3.843 0.000 0.000) 3.843 15.595 ( 0.041 0.000 0.000) 0.041 15.597 ( 0.001 0.000 0.000) 0.001 15.697 ( 0.242 0.000 0.000) 0.242 15.722 ( -0.157 0.000 0.000) 0.157 15.837 ( -12.352 0.000 0.000) 12.352 15.939 ( -10.307 0.000 0.000) 10.307 18.027 ( 1.418 0.000 0.000) 1.418 18.038 ( 1.786 0.000 0.000) 1.786 18.074 ( 0.380 0.000 0.000) 0.380 18.123 ( 1.323 0.000 0.000) 1.323 18.864 ( 0.253 0.000 0.000) 0.253 18.965 ( -1.008 0.000 0.000) 1.008 19.069 ( -2.914 0.000 0.000) 2.914 19.130 ( -3.867 0.000 0.000) 3.867 19.926 ( -0.023 0.000 0.000) 0.023 19.945 ( -0.333 0.000 0.000) 0.333 20.357 ( 0.238 0.000 0.000) 0.238 20.363 ( 0.100 0.000 0.000) 0.100 20.550 ( 0.890 0.000 0.000) 0.890 20.575 ( 0.526 0.000 0.000) 0.526 21.311 ( -0.942 0.000 0.000) 0.942 21.314 ( -0.987 0.000 0.000) 0.987 21.786 ( -0.663 0.000 0.000) 0.663 21.794 ( -0.277 0.000 0.000) 0.277 21.798 ( -0.779 0.000 0.000) 0.779 21.804 ( -0.576 0.000 0.000) 0.576 25.179 ( -0.101 0.000 0.000) 0.101 25.238 ( -0.759 0.000 0.000) 0.759 25.281 ( -2.001 0.000 0.000) 2.001 25.475 ( -4.030 0.000 0.000) 4.030 25.787 ( 0.308 0.000 0.000) 0.308 25.794 ( 0.177 0.000 0.000) 0.177 26.065 ( 0.300 0.000 0.000) 0.300 26.116 ( -0.493 0.000 0.000) 0.493 27.245 ( 4.467 0.000 0.000) 4.467 27.324 ( 0.924 0.000 0.000) 0.924 27.384 ( -1.389 0.000 0.000) 1.389 27.588 ( -2.147 0.000 0.000) 2.147 28.049 ( 0.236 0.000 0.000) 0.236 28.063 ( 0.533 0.000 0.000) 0.533 28.103 ( -0.534 0.000 0.000) 0.534 28.121 ( -0.520 0.000 0.000) 0.520 28.422 ( 6.036 0.000 0.000) 6.036 28.793 ( 0.287 0.000 0.000) 0.287 29.032 ( 8.505 0.000 0.000) 8.505 29.489 ( -1.415 0.000 0.000) 1.415 29.614 ( -1.318 0.000 0.000) 1.318 29.792 ( -6.570 0.000 0.000) 6.570 29.978 ( 3.232 0.000 0.000) 3.232 30.748 ( -10.200 0.000 0.000) 10.200 31.011 ( 5.410 0.000 0.000) 5.410 31.196 ( 10.625 0.000 0.000) 10.625 31.664 ( -4.036 0.000 0.000) 4.036 31.804 ( -2.445 0.000 0.000) 2.445 34.260 ( 4.917 0.000 0.000) 4.917 34.734 ( -2.614 0.000 0.000) 2.614 35.937 ( 1.982 0.000 0.000) 1.982 36.024 ( 0.347 0.000 0.000) 0.347 36.173 ( 0.210 0.000 0.000) 0.210 36.199 ( -0.207 0.000 0.000) 0.207 37.116 ( 0.398 0.000 0.000) 0.398 37.182 ( -0.687 0.000 0.000) 0.687 38.145 ( 2.877 0.000 0.000) 2.877 38.482 ( 4.973 0.000 0.000) 4.973 38.488 ( -2.871 0.000 0.000) 2.871 39.241 ( -7.547 0.000 0.000) 7.547 40.237 ( 8.473 0.000 0.000) 8.473 40.977 ( -2.792 0.000 0.000) 2.792 41.716 ( 4.571 0.000 0.000) 4.571 41.921 ( 0.916 0.000 0.000) 0.916 42.732 ( 1.579 0.000 0.000) 1.579 42.902 ( -2.218 0.000 0.000) 2.218 42.918 ( -0.091 0.000 0.000) 0.091 43.242 ( -5.964 0.000 0.000) 5.964 43.385 ( 1.643 0.000 0.000) 1.643 43.656 ( -0.805 0.000 0.000) 0.805 43.922 ( 3.014 0.000 0.000) 3.014 44.303 ( -4.399 0.000 0.000) 4.399 90.277 ( 0.473 0.000 0.000) 0.473 90.329 ( 0.521 0.000 0.000) 0.521 90.340 ( -0.533 0.000 0.000) 0.533 90.383 ( -0.340 0.000 0.000) 0.340 93.782 ( 2.883 0.000 0.000) 2.883 94.284 ( -8.519 0.000 0.000) 8.519 94.702 ( 9.567 0.000 0.000) 9.567 95.388 ( -4.848 0.000 0.000) 4.848 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 32.010 0.000 0.000) 32.010 1.629 ( 41.772 0.000 0.000) 41.772 1.918 ( 16.618 0.000 0.000) 16.618 2.311 ( -30.294 0.000 0.000) 30.294 2.558 ( -8.611 0.000 0.000) 8.611 2.656 ( 57.428 0.000 0.000) 57.428 2.755 ( 0.928 0.000 0.000) 0.928 2.769 ( -15.092 0.000 0.000) 15.092 3.271 ( -16.343 0.000 0.000) 16.343 3.334 ( 10.113 0.000 0.000) 10.113 3.598 ( 17.371 0.000 0.000) 17.371 3.716 ( -0.386 0.000 0.000) 0.386 3.809 ( 2.890 0.000 0.000) 2.890 3.858 ( -1.244 0.000 0.000) 1.244 3.936 ( -1.710 0.000 0.000) 1.710 3.988 ( -3.210 0.000 0.000) 3.210 4.088 ( -2.640 0.000 0.000) 2.640 4.149 ( 9.959 0.000 0.000) 9.959 4.210 ( 2.115 0.000 0.000) 2.115 4.317 ( 3.620 0.000 0.000) 3.620 4.319 ( 9.586 0.000 0.000) 9.586 4.365 ( -3.639 0.000 0.000) 3.639 4.403 ( -2.252 0.000 0.000) 2.252 4.533 ( -2.718 0.000 0.000) 2.718 4.571 ( -3.958 0.000 0.000) 3.958 4.725 ( -19.313 0.000 0.000) 19.313 4.736 ( 1.181 0.000 0.000) 1.181 4.861 ( 11.687 0.000 0.000) 11.687 4.875 ( -7.150 0.000 0.000) 7.150 4.955 ( -2.761 0.000 0.000) 2.761 5.129 ( -5.116 0.000 0.000) 5.116 5.179 ( -8.389 0.000 0.000) 8.389 5.185 ( -3.752 0.000 0.000) 3.752 5.304 ( 2.238 0.000 0.000) 2.238 5.318 ( 5.816 0.000 0.000) 5.816 5.365 ( -7.009 0.000 0.000) 7.009 5.591 ( 15.306 0.000 0.000) 15.306 5.646 ( 12.877 0.000 0.000) 12.877 5.727 ( 7.849 0.000 0.000) 7.849 5.752 ( -2.535 0.000 0.000) 2.535 5.761 ( 4.947 0.000 0.000) 4.947 5.809 ( 4.979 0.000 0.000) 4.979 5.939 ( 6.031 0.000 0.000) 6.031 6.037 ( -3.286 0.000 0.000) 3.286 6.074 ( -3.263 0.000 0.000) 3.263 6.074 ( 4.995 0.000 0.000) 4.995 6.115 ( 2.751 0.000 0.000) 2.751 6.152 ( -4.420 0.000 0.000) 4.420 6.179 ( -5.237 0.000 0.000) 5.237 6.371 ( -0.346 0.000 0.000) 0.346 6.390 ( -14.094 0.000 0.000) 14.094 6.534 ( -0.740 0.000 0.000) 0.740 6.586 ( -9.330 0.000 0.000) 9.330 6.723 ( -8.273 0.000 0.000) 8.273 6.756 ( 17.582 0.000 0.000) 17.582 6.789 ( -0.030 0.000 0.000) 0.030 6.812 ( 7.609 0.000 0.000) 7.609 6.913 ( 3.162 0.000 0.000) 3.162 6.956 ( 1.709 0.000 0.000) 1.709 7.054 ( -5.427 0.000 0.000) 5.427 7.066 ( 2.535 0.000 0.000) 2.535 7.087 ( 1.073 0.000 0.000) 1.073 7.099 ( 1.197 0.000 0.000) 1.197 7.398 ( -4.329 0.000 0.000) 4.329 7.585 ( 3.989 0.000 0.000) 3.989 7.629 ( -0.021 0.000 0.000) 0.021 8.014 ( 3.911 0.000 0.000) 3.911 8.180 ( 1.119 0.000 0.000) 1.119 8.225 ( 7.129 0.000 0.000) 7.129 8.478 ( -5.205 0.000 0.000) 5.205 8.675 ( 4.337 0.000 0.000) 4.337 8.883 ( -5.527 0.000 0.000) 5.527 10.343 ( 4.298 0.000 0.000) 4.298 10.498 ( -2.663 0.000 0.000) 2.663 10.527 ( -3.329 0.000 0.000) 3.329 10.642 ( -6.563 0.000 0.000) 6.563 11.136 ( 4.924 0.000 0.000) 4.924 11.183 ( -1.174 0.000 0.000) 1.174 11.193 ( 6.199 0.000 0.000) 6.199 11.207 ( -1.405 0.000 0.000) 1.405 11.298 ( 0.837 0.000 0.000) 0.837 11.320 ( 0.763 0.000 0.000) 0.763 11.320 ( -4.036 0.000 0.000) 4.036 11.439 ( -5.722 0.000 0.000) 5.722 12.334 ( -0.080 0.000 0.000) 0.080 12.522 ( 1.092 0.000 0.000) 1.092 12.538 ( -10.484 0.000 0.000) 10.484 12.683 ( -7.073 0.000 0.000) 7.073 13.946 ( 10.598 0.000 0.000) 10.598 14.019 ( 9.011 0.000 0.000) 9.011 14.032 ( 7.436 0.000 0.000) 7.436 14.111 ( 5.497 0.000 0.000) 5.497 15.189 ( -0.886 0.000 0.000) 0.886 15.387 ( -2.179 0.000 0.000) 2.179 15.542 ( -17.384 0.000 0.000) 17.384 15.596 ( 0.054 0.000 0.000) 0.054 15.597 ( -0.012 0.000 0.000) 0.012 15.686 ( -15.232 0.000 0.000) 15.232 15.703 ( 0.389 0.000 0.000) 0.389 15.718 ( -0.305 0.000 0.000) 0.305 18.057 ( 1.470 0.000 0.000) 1.470 18.070 ( 0.982 0.000 0.000) 0.982 18.092 ( 1.876 0.000 0.000) 1.876 18.142 ( 0.297 0.000 0.000) 0.297 18.882 ( 1.955 0.000 0.000) 1.955 18.949 ( -0.438 0.000 0.000) 0.438 19.005 ( -3.440 0.000 0.000) 3.440 19.038 ( -5.421 0.000 0.000) 5.421 19.927 ( 0.093 0.000 0.000) 0.093 19.938 ( -0.438 0.000 0.000) 0.438 20.361 ( 0.237 0.000 0.000) 0.237 20.365 ( 0.063 0.000 0.000) 0.063 20.570 ( 1.118 0.000 0.000) 1.118 20.585 ( 0.411 0.000 0.000) 0.411 21.292 ( -0.967 0.000 0.000) 0.967 21.293 ( -1.046 0.000 0.000) 1.046 21.774 ( -0.464 0.000 0.000) 0.464 21.782 ( -0.826 0.000 0.000) 0.826 21.788 ( -0.334 0.000 0.000) 0.334 21.792 ( -0.596 0.000 0.000) 0.596 25.176 ( 0.009 0.000 0.000) 0.009 25.234 ( -2.731 0.000 0.000) 2.731 25.241 ( 1.446 0.000 0.000) 1.446 25.382 ( -5.285 0.000 0.000) 5.285 25.793 ( 0.345 0.000 0.000) 0.345 25.797 ( 0.144 0.000 0.000) 0.144 26.074 ( 0.604 0.000 0.000) 0.604 26.103 ( -0.801 0.000 0.000) 0.801 27.318 ( 1.959 0.000 0.000) 1.959 27.360 ( -1.116 0.000 0.000) 1.116 27.371 ( 4.858 0.000 0.000) 4.858 27.536 ( -3.270 0.000 0.000) 3.270 28.057 ( 0.621 0.000 0.000) 0.621 28.076 ( 0.808 0.000 0.000) 0.808 28.089 ( -0.894 0.000 0.000) 0.894 28.108 ( -0.820 0.000 0.000) 0.820 28.561 ( 8.050 0.000 0.000) 8.050 28.780 ( -2.247 0.000 0.000) 2.247 29.226 ( 11.313 0.000 0.000) 11.313 29.474 ( 0.202 0.000 0.000) 0.202 29.575 ( -2.710 0.000 0.000) 2.710 29.636 ( -9.329 0.000 0.000) 9.329 30.079 ( 7.607 0.000 0.000) 7.607 30.511 ( -13.921 0.000 0.000) 13.921 31.170 ( 10.591 0.000 0.000) 10.591 31.408 ( 11.143 0.000 0.000) 11.143 31.551 ( -7.897 0.000 0.000) 7.897 31.730 ( -5.510 0.000 0.000) 5.510 34.383 ( 7.772 0.000 0.000) 7.772 34.658 ( -5.459 0.000 0.000) 5.459 35.980 ( 2.322 0.000 0.000) 2.322 36.028 ( -0.100 0.000 0.000) 0.100 36.179 ( 0.362 0.000 0.000) 0.362 36.194 ( -0.359 0.000 0.000) 0.359 37.127 ( 0.785 0.000 0.000) 0.785 37.165 ( -1.073 0.000 0.000) 1.073 38.219 ( 4.783 0.000 0.000) 4.783 38.414 ( -4.794 0.000 0.000) 4.794 38.619 ( 9.441 0.000 0.000) 9.441 39.054 ( -11.698 0.000 0.000) 11.698 40.445 ( 12.849 0.000 0.000) 12.849 40.880 ( -7.777 0.000 0.000) 7.777 41.822 ( 5.961 0.000 0.000) 5.961 41.935 ( 0.169 0.000 0.000) 0.169 42.769 ( 2.134 0.000 0.000) 2.134 42.852 ( -2.715 0.000 0.000) 2.715 42.929 ( 1.507 0.000 0.000) 1.507 43.108 ( -7.542 0.000 0.000) 7.542 43.439 ( 4.130 0.000 0.000) 4.130 43.617 ( -3.510 0.000 0.000) 3.510 43.994 ( 4.513 0.000 0.000) 4.513 44.199 ( -6.124 0.000 0.000) 6.124 90.290 ( 0.846 0.000 0.000) 0.846 90.326 ( -0.902 0.000 0.000) 0.902 90.342 ( 0.836 0.000 0.000) 0.836 90.373 ( -0.659 0.000 0.000) 0.659 93.860 ( 5.334 0.000 0.000) 5.334 94.124 ( -8.318 0.000 0.000) 8.318 94.892 ( 10.423 0.000 0.000) 10.423 95.261 ( -8.344 0.000 0.000) 8.344 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -33.710 0.000 0.000) 33.710 1.697 ( 33.710 0.000 0.000) 33.710 2.252 ( -18.417 0.000 0.000) 18.417 2.252 ( 18.417 0.000 0.000) 18.417 2.330 ( -31.485 0.000 0.000) 31.485 2.330 ( 31.485 0.000 0.000) 31.485 2.967 ( -15.368 0.000 0.000) 15.368 2.967 ( 15.368 0.000 0.000) 15.368 3.373 ( -15.127 0.000 0.000) 15.127 3.373 ( 15.127 0.000 0.000) 15.127 3.735 ( -7.009 0.000 0.000) 7.009 3.735 ( 7.009 0.000 0.000) 7.009 3.877 ( -3.965 0.000 0.000) 3.965 3.877 ( 3.965 0.000 0.000) 3.965 3.974 ( -4.643 0.000 0.000) 4.643 3.974 ( 4.643 0.000 0.000) 4.643 4.142 ( -27.458 0.000 0.000) 27.458 4.142 ( 27.458 0.000 0.000) 27.458 4.274 ( -3.357 0.000 0.000) 3.357 4.274 ( 3.357 0.000 0.000) 3.357 4.313 ( -4.076 0.000 0.000) 4.076 4.313 ( 4.076 0.000 0.000) 4.076 4.412 ( -1.103 0.000 0.000) 1.103 4.412 ( 1.103 0.000 0.000) 1.103 4.516 ( -0.995 0.000 0.000) 0.995 4.516 ( 0.995 0.000 0.000) 0.995 4.756 ( -3.624 0.000 0.000) 3.624 4.756 ( 3.624 0.000 0.000) 3.624 4.967 ( -2.075 0.000 0.000) 2.075 4.967 ( 2.075 0.000 0.000) 2.075 5.117 ( -2.142 0.000 0.000) 2.142 5.117 ( 2.142 0.000 0.000) 2.142 5.188 ( -10.983 0.000 0.000) 10.983 5.188 ( 10.983 0.000 0.000) 10.983 5.371 ( -1.310 0.000 0.000) 1.310 5.371 ( 1.310 0.000 0.000) 1.310 5.728 ( -0.443 0.000 0.000) 0.443 5.728 ( 0.443 0.000 0.000) 0.443 5.807 ( -5.109 0.000 0.000) 5.109 5.807 ( 5.109 0.000 0.000) 5.109 5.917 ( -8.289 0.000 0.000) 8.289 5.917 ( 8.289 0.000 0.000) 8.289 5.956 ( -8.238 0.000 0.000) 8.238 5.956 ( 8.238 0.000 0.000) 8.238 6.074 ( -4.804 0.000 0.000) 4.804 6.074 ( 4.804 0.000 0.000) 4.804 6.102 ( -1.076 0.000 0.000) 1.076 6.102 ( 1.076 0.000 0.000) 1.076 6.185 ( -5.897 0.000 0.000) 5.897 6.185 ( 5.897 0.000 0.000) 5.897 6.432 ( -6.446 0.000 0.000) 6.446 6.432 ( 6.446 0.000 0.000) 6.446 6.578 ( -5.824 0.000 0.000) 5.824 6.578 ( 5.824 0.000 0.000) 5.824 6.848 ( -2.029 0.000 0.000) 2.029 6.848 ( 2.029 0.000 0.000) 2.029 6.959 ( -1.341 0.000 0.000) 1.341 6.959 ( 1.341 0.000 0.000) 1.341 6.965 ( -3.689 0.000 0.000) 3.689 6.965 ( 3.689 0.000 0.000) 3.689 7.101 ( -0.996 0.000 0.000) 0.996 7.101 ( 0.996 0.000 0.000) 0.996 7.226 ( -12.739 0.000 0.000) 12.739 7.226 ( 12.739 0.000 0.000) 12.739 7.625 ( -0.660 0.000 0.000) 0.660 7.625 ( 0.660 0.000 0.000) 0.660 8.125 ( -6.167 0.000 0.000) 6.167 8.125 ( 6.167 0.000 0.000) 6.167 8.362 ( -7.009 0.000 0.000) 7.009 8.362 ( 7.009 0.000 0.000) 7.009 8.772 ( -5.851 0.000 0.000) 5.851 8.772 ( 5.851 0.000 0.000) 5.851 10.438 ( -4.250 0.000 0.000) 4.250 10.438 ( 4.250 0.000 0.000) 4.250 10.521 ( -4.124 0.000 0.000) 4.124 10.521 ( 4.124 0.000 0.000) 4.124 11.179 ( -0.952 0.000 0.000) 0.952 11.179 ( 0.952 0.000 0.000) 0.952 11.232 ( -5.116 0.000 0.000) 5.116 11.232 ( 5.116 0.000 0.000) 5.116 11.318 ( -0.871 0.000 0.000) 0.871 11.318 ( 0.871 0.000 0.000) 0.871 11.319 ( -6.852 0.000 0.000) 6.852 11.319 ( 6.852 0.000 0.000) 6.852 12.381 ( -5.534 0.000 0.000) 5.534 12.381 ( 5.534 0.000 0.000) 5.534 12.573 ( -4.383 0.000 0.000) 4.383 12.573 ( 4.383 0.000 0.000) 4.383 14.096 ( -2.892 0.000 0.000) 2.892 14.096 ( 2.892 0.000 0.000) 2.892 14.138 ( -2.774 0.000 0.000) 2.774 14.138 ( 2.774 0.000 0.000) 2.774 15.266 ( -10.072 0.000 0.000) 10.072 15.266 ( 10.072 0.000 0.000) 10.072 15.440 ( -8.865 0.000 0.000) 8.865 15.440 ( 8.865 0.000 0.000) 8.865 15.597 ( -0.037 0.000 0.000) 0.037 15.597 ( 0.037 0.000 0.000) 0.037 15.711 ( -0.401 0.000 0.000) 0.401 15.711 ( 0.401 0.000 0.000) 0.401 18.075 ( -0.352 0.000 0.000) 0.352 18.075 ( 0.352 0.000 0.000) 0.352 18.129 ( -1.566 0.000 0.000) 1.566 18.129 ( 1.566 0.000 0.000) 1.566 18.940 ( -4.098 0.000 0.000) 4.098 18.940 ( 4.098 0.000 0.000) 4.098 18.959 ( -1.819 0.000 0.000) 1.819 18.959 ( 1.819 0.000 0.000) 1.819 19.930 ( -0.305 0.000 0.000) 0.305 19.930 ( 0.305 0.000 0.000) 0.305 20.364 ( -0.085 0.000 0.000) 0.085 20.364 ( 0.085 0.000 0.000) 0.085 20.586 ( -0.429 0.000 0.000) 0.429 20.586 ( 0.429 0.000 0.000) 0.429 21.282 ( -0.047 0.000 0.000) 0.047 21.282 ( 0.047 0.000 0.000) 0.047 21.771 ( -0.224 0.000 0.000) 0.224 21.771 ( 0.224 0.000 0.000) 0.224 21.785 ( -0.106 0.000 0.000) 0.106 21.785 ( 0.106 0.000 0.000) 0.106 25.191 ( -1.656 0.000 0.000) 1.656 25.191 ( 1.656 0.000 0.000) 1.656 25.293 ( -3.972 0.000 0.000) 3.972 25.293 ( 3.972 0.000 0.000) 3.972 25.798 ( -0.107 0.000 0.000) 0.107 25.798 ( 0.107 0.000 0.000) 0.107 26.087 ( -0.821 0.000 0.000) 0.821 26.087 ( 0.821 0.000 0.000) 0.821 27.341 ( -0.966 0.000 0.000) 0.966 27.341 ( 0.966 0.000 0.000) 0.966 27.465 ( -4.454 0.000 0.000) 4.454 27.465 ( 4.454 0.000 0.000) 4.454 28.071 ( -0.909 0.000 0.000) 0.909 28.071 ( 0.909 0.000 0.000) 0.909 28.092 ( -0.903 0.000 0.000) 0.903 28.092 ( 0.903 0.000 0.000) 0.903 28.700 ( -6.195 0.000 0.000) 6.195 28.700 ( 6.195 0.000 0.000) 6.195 29.430 ( -9.490 0.000 0.000) 9.490 29.430 ( 9.490 0.000 0.000) 9.490 29.524 ( -1.676 0.000 0.000) 1.676 29.524 ( 1.676 0.000 0.000) 1.676 30.263 ( -11.844 0.000 0.000) 11.844 30.263 ( 11.844 0.000 0.000) 11.844 31.375 ( -10.586 0.000 0.000) 10.586 31.375 ( 10.586 0.000 0.000) 10.586 31.597 ( -8.726 0.000 0.000) 8.726 31.597 ( 8.726 0.000 0.000) 8.726 34.533 ( -7.694 0.000 0.000) 7.694 34.533 ( 7.694 0.000 0.000) 7.694 36.015 ( -1.298 0.000 0.000) 1.298 36.015 ( 1.298 0.000 0.000) 1.298 36.186 ( -0.417 0.000 0.000) 0.417 36.186 ( 0.417 0.000 0.000) 0.417 37.144 ( -1.067 0.000 0.000) 1.067 37.144 ( 1.067 0.000 0.000) 1.067 38.316 ( -5.416 0.000 0.000) 5.416 38.316 ( 5.416 0.000 0.000) 5.416 38.825 ( -12.141 0.000 0.000) 12.141 38.825 ( 12.141 0.000 0.000) 12.141 40.688 ( -12.269 0.000 0.000) 12.269 40.688 ( 12.269 0.000 0.000) 12.269 41.911 ( -3.048 0.000 0.000) 3.048 41.911 ( 3.048 0.000 0.000) 3.048 42.808 ( -2.066 0.000 0.000) 2.066 42.808 ( 2.066 0.000 0.000) 2.066 42.986 ( -4.898 0.000 0.000) 4.898 42.986 ( 4.898 0.000 0.000) 4.898 43.531 ( -5.250 0.000 0.000) 5.250 43.531 ( 5.250 0.000 0.000) 5.250 44.088 ( -5.509 0.000 0.000) 5.509 44.088 ( 5.509 0.000 0.000) 5.509 90.308 ( -1.011 0.000 0.000) 1.011 90.308 ( 1.011 0.000 0.000) 1.011 90.359 ( -0.864 0.000 0.000) 0.864 90.359 ( 0.864 0.000 0.000) 0.864 93.978 ( -7.152 0.000 0.000) 7.152 93.978 ( 7.152 0.000 0.000) 7.152 95.086 ( -10.075 0.000 0.000) 10.075 95.086 ( 10.075 0.000 0.000) 10.075 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 0.000 21.891 0.000) 21.891 0.644 ( 0.000 32.228 0.000) 32.228 1.079 ( 0.000 52.652 0.000) 52.652 1.915 ( 0.000 32.228 0.000) 32.228 2.487 ( 0.000 7.594 0.000) 7.594 2.945 ( 0.000 -6.769 0.000) 6.769 2.951 ( 0.000 -21.044 0.000) 21.044 2.978 ( 0.000 -0.440 0.000) 0.440 3.075 ( 0.000 9.822 0.000) 9.822 3.358 ( 0.000 3.348 0.000) 3.348 3.512 ( 0.000 -10.109 0.000) 10.109 3.537 ( 0.000 -3.005 0.000) 3.005 3.627 ( 0.000 -3.736 0.000) 3.736 3.852 ( 0.000 5.275 0.000) 5.275 3.913 ( 0.000 -0.211 0.000) 0.211 3.914 ( 0.000 1.060 0.000) 1.060 3.919 ( 0.000 0.111 0.000) 0.111 4.143 ( 0.000 2.881 0.000) 2.881 4.191 ( 0.000 2.233 0.000) 2.233 4.204 ( 0.000 -2.298 0.000) 2.298 4.251 ( 0.000 3.323 0.000) 3.323 4.391 ( 0.000 2.930 0.000) 2.930 4.463 ( 0.000 -2.786 0.000) 2.786 4.547 ( 0.000 1.718 0.000) 1.718 4.623 ( 0.000 -2.108 0.000) 2.108 4.717 ( 0.000 0.955 0.000) 0.955 4.807 ( 0.000 9.279 0.000) 9.279 4.819 ( 0.000 3.314 0.000) 3.314 4.836 ( 0.000 -9.344 0.000) 9.344 4.984 ( 0.000 6.378 0.000) 6.378 5.016 ( 0.000 0.736 0.000) 0.736 5.194 ( 0.000 2.241 0.000) 2.241 5.227 ( 0.000 1.403 0.000) 1.403 5.256 ( 0.000 -0.786 0.000) 0.786 5.382 ( 0.000 1.908 0.000) 1.908 5.424 ( 0.000 6.679 0.000) 6.679 5.474 ( 0.000 -0.299 0.000) 0.299 5.476 ( 0.000 -1.808 0.000) 1.808 5.590 ( 0.000 -10.027 0.000) 10.027 5.709 ( 0.000 -0.194 0.000) 0.194 5.744 ( 0.000 -2.427 0.000) 2.427 5.885 ( 0.000 0.731 0.000) 0.731 5.963 ( 0.000 -4.232 0.000) 4.232 5.979 ( 0.000 3.169 0.000) 3.169 6.056 ( 0.000 2.584 0.000) 2.584 6.090 ( 0.000 0.726 0.000) 0.726 6.113 ( 0.000 -0.449 0.000) 0.449 6.207 ( 0.000 -0.830 0.000) 0.830 6.278 ( 0.000 3.775 0.000) 3.775 6.339 ( 0.000 0.429 0.000) 0.429 6.514 ( 0.000 -5.472 0.000) 5.472 6.518 ( 0.000 6.138 0.000) 6.138 6.591 ( 0.000 -1.648 0.000) 1.648 6.701 ( 0.000 1.456 0.000) 1.456 6.739 ( 0.000 10.410 0.000) 10.410 6.869 ( 0.000 -1.030 0.000) 1.030 6.909 ( 0.000 -1.209 0.000) 1.209 6.914 ( 0.000 5.909 0.000) 5.909 6.933 ( 0.000 4.875 0.000) 4.875 6.960 ( 0.000 1.811 0.000) 1.811 7.010 ( 0.000 0.825 0.000) 0.825 7.149 ( 0.000 -0.648 0.000) 0.648 7.275 ( 0.000 3.385 0.000) 3.385 7.436 ( 0.000 -1.369 0.000) 1.369 7.442 ( 0.000 -4.580 0.000) 4.580 7.663 ( 0.000 4.459 0.000) 4.459 7.810 ( 0.000 -2.676 0.000) 2.676 7.935 ( 0.000 -5.074 0.000) 5.074 8.487 ( 0.000 -8.960 0.000) 8.960 8.520 ( 0.000 -6.917 0.000) 6.917 8.847 ( 0.000 -7.670 0.000) 7.670 8.908 ( 0.000 -8.943 0.000) 8.943 10.300 ( 0.000 1.843 0.000) 1.843 10.546 ( 0.000 0.772 0.000) 0.772 10.550 ( 0.000 -1.107 0.000) 1.107 10.742 ( 0.000 -1.485 0.000) 1.485 11.032 ( 0.000 -0.106 0.000) 0.106 11.054 ( 0.000 -0.455 0.000) 0.455 11.210 ( 0.000 0.182 0.000) 0.182 11.216 ( 0.000 0.430 0.000) 0.430 11.282 ( 0.000 -0.549 0.000) 0.549 11.306 ( 0.000 -0.514 0.000) 0.514 11.414 ( 0.000 1.285 0.000) 1.285 11.549 ( 0.000 -0.600 0.000) 0.600 12.380 ( 0.000 0.317 0.000) 0.317 12.434 ( 0.000 -0.181 0.000) 0.181 12.832 ( 0.000 0.686 0.000) 0.686 12.876 ( 0.000 0.158 0.000) 0.158 13.694 ( 0.000 0.460 0.000) 0.460 13.783 ( 0.000 -0.501 0.000) 0.501 13.838 ( 0.000 0.376 0.000) 0.376 13.919 ( 0.000 -0.467 0.000) 0.467 15.280 ( 0.000 0.918 0.000) 0.918 15.483 ( 0.000 -1.365 0.000) 1.365 15.601 ( 0.000 0.433 0.000) 0.433 15.612 ( 0.000 1.651 0.000) 1.651 15.721 ( 0.000 -1.019 0.000) 1.019 15.730 ( 0.000 0.565 0.000) 0.565 15.965 ( 0.000 1.153 0.000) 1.153 16.045 ( 0.000 0.461 0.000) 0.461 18.002 ( 0.000 0.135 0.000) 0.135 18.017 ( 0.000 0.443 0.000) 0.443 18.019 ( 0.000 -0.009 0.000) 0.009 18.103 ( 0.000 -0.491 0.000) 0.491 18.866 ( 0.000 1.009 0.000) 1.009 18.976 ( 0.000 -0.076 0.000) 0.076 19.107 ( 0.000 0.772 0.000) 0.772 19.170 ( 0.000 0.089 0.000) 0.089 19.954 ( 0.000 2.703 0.000) 2.703 19.977 ( 0.000 2.796 0.000) 2.796 20.371 ( 0.000 0.267 0.000) 0.267 20.401 ( 0.000 -2.200 0.000) 2.200 20.593 ( 0.000 2.870 0.000) 2.870 20.963 ( 0.000 1.750 0.000) 1.750 21.291 ( 0.000 -2.988 0.000) 2.988 21.305 ( 0.000 -1.895 0.000) 1.895 21.795 ( 0.000 0.037 0.000) 0.037 21.796 ( 0.000 0.043 0.000) 0.043 21.802 ( 0.000 0.011 0.000) 0.011 21.806 ( 0.000 -0.038 0.000) 0.038 25.174 ( 0.000 -0.544 0.000) 0.544 25.238 ( 0.000 -0.982 0.000) 0.982 25.299 ( 0.000 -0.154 0.000) 0.154 25.476 ( 0.000 -2.527 0.000) 2.527 25.789 ( 0.000 0.578 0.000) 0.578 25.807 ( 0.000 1.082 0.000) 1.082 26.041 ( 0.000 -2.105 0.000) 2.105 26.101 ( 0.000 -1.945 0.000) 1.945 27.197 ( 0.000 -0.026 0.000) 0.026 27.205 ( 0.000 -0.031 0.000) 0.031 27.418 ( 0.000 1.707 0.000) 1.707 27.605 ( 0.000 -0.390 0.000) 0.390 28.054 ( 0.000 0.634 0.000) 0.634 28.059 ( 0.000 0.218 0.000) 0.218 28.161 ( 0.000 3.320 0.000) 3.320 28.393 ( 0.000 3.083 0.000) 3.083 28.645 ( 0.000 -2.660 0.000) 2.660 28.813 ( 0.000 2.222 0.000) 2.222 28.918 ( 0.000 -2.690 0.000) 2.690 29.087 ( 0.000 0.072 0.000) 0.072 29.519 ( 0.000 0.238 0.000) 0.238 29.651 ( 0.000 2.614 0.000) 2.614 29.924 ( 0.000 -2.666 0.000) 2.666 30.754 ( 0.000 -9.449 0.000) 9.449 30.966 ( 0.000 -0.303 0.000) 0.303 30.970 ( 0.000 -0.588 0.000) 0.588 31.696 ( 0.000 -0.459 0.000) 0.459 31.790 ( 0.000 -3.119 0.000) 3.119 34.238 ( 0.000 2.513 0.000) 2.513 34.771 ( 0.000 -3.350 0.000) 3.350 34.801 ( 0.000 4.253 0.000) 4.253 35.841 ( 0.000 -7.288 0.000) 7.288 36.263 ( 0.000 8.611 0.000) 8.611 37.098 ( 0.000 -1.496 0.000) 1.496 37.195 ( 0.000 0.598 0.000) 0.598 37.225 ( 0.000 -0.169 0.000) 0.169 38.134 ( 0.000 1.695 0.000) 1.695 38.423 ( 0.000 -1.283 0.000) 1.283 38.561 ( 0.000 4.393 0.000) 4.393 39.206 ( 0.000 -2.364 0.000) 2.364 39.973 ( 0.000 0.330 0.000) 0.330 40.140 ( 0.000 -1.311 0.000) 1.311 41.027 ( 0.000 2.694 0.000) 2.694 41.633 ( 0.000 -3.715 0.000) 3.715 42.604 ( 0.000 -0.228 0.000) 0.228 42.703 ( 0.000 -1.235 0.000) 1.235 42.914 ( 0.000 -0.484 0.000) 0.484 42.917 ( 0.000 -0.786 0.000) 0.786 43.384 ( 0.000 1.348 0.000) 1.348 43.672 ( 0.000 1.240 0.000) 1.240 43.853 ( 0.000 -3.722 0.000) 3.722 44.198 ( 0.000 -5.124 0.000) 5.124 90.283 ( 0.000 0.997 0.000) 0.997 90.332 ( 0.000 0.685 0.000) 0.685 90.360 ( 0.000 1.402 0.000) 1.402 90.627 ( 0.000 -1.729 0.000) 1.729 93.793 ( 0.000 3.825 0.000) 3.825 94.390 ( 0.000 -0.795 0.000) 0.795 94.553 ( 0.000 -2.359 0.000) 2.359 94.701 ( 0.000 -6.437 0.000) 6.437 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 38.606 9.175 0.000) 39.681 0.951 ( 19.189 29.286 0.000) 35.013 1.655 ( 50.005 26.431 0.000) 56.561 2.015 ( 12.437 30.671 0.000) 33.097 2.543 ( 5.594 7.303 0.000) 9.200 2.844 ( -11.525 -4.648 0.000) 12.427 2.929 ( -4.463 -0.593 0.000) 4.502 2.970 ( -10.598 -2.030 0.000) 10.791 3.124 ( 18.287 -9.097 0.000) 20.424 3.198 ( -8.279 5.546 0.000) 9.965 3.494 ( -5.184 -6.230 0.000) 8.105 3.596 ( 5.438 -4.650 0.000) 7.155 3.776 ( -3.252 0.010 0.000) 3.252 3.833 ( 12.069 -4.547 0.000) 12.897 3.855 ( -0.357 2.630 0.000) 2.654 3.989 ( 7.476 -1.590 0.000) 7.643 3.990 ( 3.591 2.055 0.000) 4.137 4.122 ( -4.527 -2.790 0.000) 5.317 4.203 ( 0.128 -2.694 0.000) 2.697 4.245 ( -0.860 3.997 0.000) 4.088 4.295 ( -11.412 -0.467 0.000) 11.422 4.364 ( 12.822 2.670 0.000) 13.097 4.478 ( 2.518 1.901 0.000) 3.156 4.498 ( -1.460 -3.321 0.000) 3.628 4.621 ( -4.530 0.230 0.000) 4.536 4.634 ( -1.123 0.748 0.000) 1.349 4.844 ( 0.598 2.916 0.000) 2.976 4.872 ( 4.834 -6.212 0.000) 7.871 4.960 ( 5.147 10.973 0.000) 12.120 5.073 ( 2.395 0.110 0.000) 2.398 5.073 ( 4.693 1.533 0.000) 4.937 5.149 ( -5.478 -2.013 0.000) 5.836 5.211 ( -2.651 0.229 0.000) 2.661 5.235 ( 2.638 -3.134 0.000) 4.096 5.383 ( 10.170 -0.433 0.000) 10.180 5.404 ( 1.434 8.364 0.000) 8.486 5.468 ( -1.824 -0.194 0.000) 1.834 5.564 ( 7.449 -0.026 0.000) 7.449 5.679 ( -8.872 3.283 0.000) 9.460 5.732 ( 6.980 -1.758 0.000) 7.198 5.762 ( 5.430 -0.662 0.000) 5.470 5.811 ( -4.180 1.222 0.000) 4.355 5.887 ( -3.411 -3.527 0.000) 4.907 5.939 ( -2.840 4.743 0.000) 5.528 6.061 ( 2.920 -0.634 0.000) 2.988 6.104 ( -2.573 -3.615 0.000) 4.437 6.158 ( -0.558 5.608 0.000) 5.635 6.184 ( -4.047 4.025 0.000) 5.708 6.288 ( 12.135 -5.100 0.000) 13.163 6.327 ( -0.928 1.762 0.000) 1.992 6.499 ( -3.447 -4.857 0.000) 5.956 6.506 ( -0.803 6.727 0.000) 6.775 6.690 ( 3.957 -4.708 0.000) 6.150 6.693 ( 0.987 6.657 0.000) 6.730 6.746 ( 1.122 5.563 0.000) 5.675 6.779 ( -9.815 1.798 0.000) 9.978 6.854 ( -5.814 2.028 0.000) 6.158 6.955 ( 4.447 4.410 0.000) 6.263 6.978 ( 0.882 -2.684 0.000) 2.826 7.023 ( 5.868 1.232 0.000) 5.996 7.029 ( 3.042 0.299 0.000) 3.056 7.162 ( -0.595 3.074 0.000) 3.131 7.226 ( -5.325 2.261 0.000) 5.785 7.451 ( 1.439 -5.685 0.000) 5.864 7.460 ( -0.209 3.726 0.000) 3.732 7.650 ( 0.347 3.879 0.000) 3.894 7.841 ( 4.256 -6.557 0.000) 7.817 7.936 ( 0.346 -4.729 0.000) 4.741 8.463 ( -14.936 6.810 0.000) 16.415 8.466 ( -2.220 -8.476 0.000) 8.762 8.545 ( 0.531 -5.439 0.000) 5.465 8.877 ( -3.194 -8.872 0.000) 9.430 10.307 ( 1.028 1.483 0.000) 1.804 10.538 ( -1.017 0.675 0.000) 1.221 10.563 ( -1.437 -2.544 0.000) 2.922 10.718 ( -2.826 -1.391 0.000) 3.150 11.060 ( 3.008 0.069 0.000) 3.009 11.097 ( 4.002 -0.230 0.000) 4.008 11.208 ( -0.784 0.407 0.000) 0.883 11.219 ( 0.430 0.238 0.000) 0.491 11.293 ( 1.099 -0.564 0.000) 1.235 11.294 ( -0.887 -0.529 0.000) 1.033 11.392 ( -2.283 1.216 0.000) 2.587 11.519 ( -3.129 -0.526 0.000) 3.173 12.361 ( -1.657 0.344 0.000) 1.692 12.474 ( 1.663 -2.814 0.000) 3.268 12.740 ( -8.889 0.718 0.000) 8.918 12.813 ( -6.186 -0.075 0.000) 6.187 13.768 ( 7.522 0.391 0.000) 7.532 13.852 ( 6.994 -0.497 0.000) 7.011 13.898 ( 6.014 0.428 0.000) 6.029 13.982 ( 6.139 -0.470 0.000) 6.157 15.248 ( -3.045 0.915 0.000) 3.180 15.443 ( -3.876 -1.383 0.000) 4.115 15.600 ( -0.214 0.308 0.000) 0.375 15.611 ( -0.075 1.535 0.000) 1.537 15.707 ( -0.696 -0.054 0.000) 0.698 15.728 ( -0.227 0.493 0.000) 0.543 15.848 ( -11.865 1.122 0.000) 11.918 15.930 ( -10.856 -0.134 0.000) 10.857 18.032 ( 1.433 0.464 0.000) 1.506 18.037 ( 1.770 -0.166 0.000) 1.778 18.048 ( 2.488 -1.158 0.000) 2.744 18.118 ( 1.339 -0.486 0.000) 1.425 18.868 ( 0.338 0.723 0.000) 0.798 18.965 ( -0.973 -0.022 0.000) 0.973 19.077 ( -2.982 0.711 0.000) 3.065 19.131 ( -3.841 0.115 0.000) 3.843 19.958 ( 0.202 2.878 0.000) 2.885 19.975 ( -0.254 2.872 0.000) 2.883 20.374 ( 0.233 0.391 0.000) 0.455 20.396 ( -0.449 -0.685 0.000) 0.820 20.596 ( 0.330 2.664 0.000) 2.684 20.712 ( -10.829 11.804 0.000) 16.019 21.282 ( -0.934 -2.978 0.000) 3.122 21.293 ( -1.159 -2.071 0.000) 2.373 21.786 ( -0.650 0.074 0.000) 0.655 21.794 ( -0.303 -0.007 0.000) 0.303 21.797 ( -0.748 -0.090 0.000) 0.753 21.800 ( -0.431 -0.206 0.000) 0.478 25.172 ( -0.132 -0.594 0.000) 0.608 25.228 ( -0.762 -0.956 0.000) 1.222 25.279 ( -2.071 -0.226 0.000) 2.083 25.444 ( -3.499 -2.657 0.000) 4.394 25.793 ( 0.371 0.635 0.000) 0.736 25.806 ( 0.092 1.188 0.000) 1.192 26.044 ( 0.397 -2.018 0.000) 2.057 26.103 ( -0.301 -1.563 0.000) 1.592 27.239 ( 4.251 -0.489 0.000) 4.279 27.285 ( 4.248 -1.998 0.000) 4.695 27.400 ( -1.558 1.549 0.000) 2.197 27.583 ( -2.242 -0.497 0.000) 2.297 28.057 ( 0.425 0.800 0.000) 0.906 28.066 ( 0.669 0.321 0.000) 0.742 28.153 ( -0.786 3.139 0.000) 3.236 28.262 ( -11.546 10.435 0.000) 15.563 28.453 ( 5.919 3.017 0.000) 6.643 28.797 ( 0.418 0.522 0.000) 0.669 29.002 ( 8.238 -2.929 0.000) 8.743 29.498 ( -1.797 -0.633 0.000) 1.905 29.559 ( 9.715 -14.644 0.000) 17.574 29.638 ( -1.364 2.556 0.000) 2.897 29.951 ( 3.098 -2.645 0.000) 4.074 30.660 ( -9.371 -8.597 0.000) 12.717 31.008 ( 5.829 -0.185 0.000) 5.832 31.138 ( 12.617 -3.651 0.000) 13.135 31.658 ( -4.042 -0.481 0.000) 4.071 31.771 ( -2.155 -2.896 0.000) 3.609 34.288 ( 5.178 2.762 0.000) 5.868 34.776 ( -2.617 4.258 0.000) 4.998 35.311 ( 29.242 -28.632 0.000) 40.926 35.849 ( 0.656 -8.087 0.000) 8.113 36.269 ( 0.733 8.683 0.000) 8.714 36.759 ( -23.071 19.227 0.000) 30.032 37.100 ( 0.249 -1.638 0.000) 1.657 37.184 ( -1.234 0.084 0.000) 1.237 38.163 ( 2.957 1.762 0.000) 3.442 38.468 ( 4.844 -1.402 0.000) 5.043 38.530 ( -3.145 4.130 0.000) 5.191 39.200 ( -6.288 -3.842 0.000) 7.368 40.231 ( 9.264 -0.631 0.000) 9.286 41.005 ( -2.688 2.807 0.000) 3.886 41.146 ( 54.865 -51.338 0.000) 75.138 41.670 ( 3.686 -4.469 0.000) 5.793 42.712 ( 2.407 -2.458 0.000) 3.441 42.787 ( 13.233 -12.151 0.000) 17.965 42.894 ( -2.298 -0.788 0.000) 2.430 42.910 ( -0.337 -0.758 0.000) 0.830 43.397 ( 1.577 1.308 0.000) 2.049 43.650 ( -1.973 0.875 0.000) 2.158 43.878 ( 2.447 -4.206 0.000) 4.866 44.169 ( -3.102 -6.885 0.000) 7.552 90.288 ( 0.505 1.026 0.000) 1.144 90.337 ( 0.609 0.752 0.000) 0.968 90.355 ( -0.526 1.373 0.000) 1.471 90.495 ( -6.855 5.159 0.000) 8.580 93.817 ( 2.700 3.594 0.000) 4.495 94.287 ( -7.724 0.345 0.000) 7.732 94.661 ( 8.290 -3.900 0.000) 9.161 94.991 ( 13.014 -22.950 0.000) 26.383 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 25.520 24.039 0.000) 35.060 1.666 ( 40.124 3.852 0.000) 40.309 2.160 ( 14.013 22.082 0.000) 26.153 2.436 ( -27.404 11.412 0.000) 29.686 2.640 ( -3.252 6.421 0.000) 7.198 2.730 ( 41.293 6.994 0.000) 41.882 2.773 ( -8.996 1.791 0.000) 9.172 2.819 ( 0.776 4.949 0.000) 5.010 3.225 ( 9.373 -6.461 0.000) 11.384 3.287 ( -9.363 1.262 0.000) 9.447 3.528 ( 17.354 -6.632 0.000) 18.578 3.639 ( -2.327 -4.359 0.000) 4.941 3.704 ( -6.175 -8.958 0.000) 10.881 3.891 ( -0.421 0.562 0.000) 0.702 3.928 ( 2.665 -3.469 0.000) 4.375 3.973 ( -4.431 -1.827 0.000) 4.793 4.091 ( 0.707 0.724 0.000) 1.012 4.140 ( 3.248 -2.588 0.000) 4.153 4.209 ( -0.805 -3.519 0.000) 3.610 4.218 ( 6.583 -7.153 0.000) 9.722 4.254 ( 5.164 1.215 0.000) 5.305 4.400 ( -2.692 3.332 0.000) 4.284 4.481 ( -3.881 -2.551 0.000) 4.644 4.491 ( -1.464 -1.232 0.000) 1.914 4.569 ( -4.968 4.810 0.000) 6.914 4.645 ( -4.012 -3.317 0.000) 5.206 4.851 ( 0.669 5.034 0.000) 5.078 4.905 ( -6.619 2.046 0.000) 6.928 4.931 ( -0.382 1.977 0.000) 2.014 4.998 ( 2.982 3.995 0.000) 4.985 5.115 ( 2.962 6.245 0.000) 6.912 5.126 ( -2.844 -4.251 0.000) 5.115 5.232 ( -1.240 -3.766 0.000) 3.965 5.240 ( -8.803 5.637 0.000) 10.453 5.432 ( -1.299 7.949 0.000) 8.054 5.447 ( 2.498 4.413 0.000) 5.071 5.581 ( 10.873 0.727 0.000) 10.897 5.664 ( 13.235 1.176 0.000) 13.287 5.734 ( 2.930 0.140 0.000) 2.933 5.774 ( 6.215 1.869 0.000) 6.490 5.813 ( -0.899 3.345 0.000) 3.464 5.827 ( 5.205 1.684 0.000) 5.470 5.944 ( 6.249 -5.206 0.000) 8.133 5.957 ( 4.952 0.137 0.000) 4.954 6.039 ( -3.464 -2.595 0.000) 4.328 6.082 ( 1.260 -1.785 0.000) 2.185 6.125 ( -3.567 4.959 0.000) 6.109 6.197 ( 3.211 3.351 0.000) 4.641 6.276 ( -6.614 5.035 0.000) 8.313 6.368 ( -9.362 -0.695 0.000) 9.388 6.376 ( -1.993 0.382 0.000) 2.029 6.577 ( 4.305 4.329 0.000) 6.105 6.578 ( -10.282 -1.094 0.000) 10.340 6.714 ( -5.115 -1.519 0.000) 5.336 6.761 ( 2.604 -0.140 0.000) 2.607 6.785 ( 7.328 3.320 0.000) 8.045 6.813 ( 7.681 0.662 0.000) 7.710 6.975 ( -1.124 -2.065 0.000) 2.351 7.041 ( 3.348 7.368 0.000) 8.093 7.066 ( 3.236 0.342 0.000) 3.254 7.093 ( -5.979 8.054 0.000) 10.031 7.102 ( 1.858 1.315 0.000) 2.277 7.146 ( -0.957 3.943 0.000) 4.057 7.417 ( -5.176 2.095 0.000) 5.584 7.512 ( 4.615 -6.976 0.000) 8.365 7.647 ( -1.465 1.220 0.000) 1.906 7.962 ( 6.784 -10.995 0.000) 12.919 7.964 ( 2.976 -4.649 0.000) 5.520 8.334 ( -1.933 1.060 0.000) 2.204 8.407 ( -3.919 -7.024 0.000) 8.043 8.597 ( 4.038 -7.556 0.000) 8.567 8.795 ( -5.350 -8.634 0.000) 10.157 10.350 ( 3.790 0.665 0.000) 3.848 10.501 ( -2.907 0.340 0.000) 2.927 10.512 ( -2.757 -1.390 0.000) 3.088 10.630 ( -6.376 -1.122 0.000) 6.474 11.138 ( 4.982 0.215 0.000) 4.987 11.188 ( -1.128 0.445 0.000) 1.212 11.191 ( 5.078 -0.318 0.000) 5.088 11.213 ( -0.268 0.643 0.000) 0.697 11.290 ( 0.527 -0.771 0.000) 0.934 11.314 ( 0.821 -0.534 0.000) 0.979 11.331 ( -4.111 1.039 0.000) 4.240 11.437 ( -5.481 -0.263 0.000) 5.488 12.339 ( 0.067 0.541 0.000) 0.546 12.499 ( 1.824 -2.006 0.000) 2.711 12.546 ( -10.457 0.792 0.000) 10.487 12.677 ( -7.427 -0.629 0.000) 7.453 13.949 ( 10.526 0.291 0.000) 10.530 14.015 ( 9.092 -0.426 0.000) 9.102 14.036 ( 7.331 0.378 0.000) 7.341 14.107 ( 5.594 -0.388 0.000) 5.607 15.197 ( -0.970 0.818 0.000) 1.268 15.371 ( -2.268 -1.461 0.000) 2.698 15.533 ( -14.058 -0.477 0.000) 14.066 15.610 ( -0.030 1.347 0.000) 1.348 15.620 ( -3.676 1.540 0.000) 3.985 15.661 ( -11.983 -1.635 0.000) 12.094 15.719 ( -2.596 1.102 0.000) 2.821 15.722 ( -0.354 0.379 0.000) 0.519 18.061 ( 1.423 0.443 0.000) 1.491 18.068 ( 1.166 -0.109 0.000) 1.171 18.089 ( 2.244 -0.250 0.000) 2.257 18.138 ( 0.381 -0.396 0.000) 0.550 18.887 ( 1.931 0.557 0.000) 2.010 18.949 ( -0.363 0.097 0.000) 0.376 19.011 ( -3.535 0.550 0.000) 3.577 19.040 ( -5.385 0.193 0.000) 5.388 19.960 ( 0.115 3.176 0.000) 3.178 19.969 ( -0.333 3.044 0.000) 3.062 20.379 ( 0.265 0.668 0.000) 0.719 20.388 ( -0.324 0.768 0.000) 0.833 20.603 ( 0.317 2.343 0.000) 2.365 20.617 ( -1.531 5.304 0.000) 5.521 21.262 ( -0.930 -2.936 0.000) 3.080 21.268 ( -1.256 -2.464 0.000) 2.766 21.775 ( -0.473 0.079 0.000) 0.479 21.782 ( -0.789 -0.023 0.000) 0.789 21.787 ( -0.357 -0.050 0.000) 0.361 21.790 ( -0.535 -0.158 0.000) 0.558 25.170 ( 0.066 -0.573 0.000) 0.577 25.229 ( 1.272 -1.099 0.000) 1.681 25.230 ( -2.801 -0.359 0.000) 2.824 25.360 ( -4.894 -2.059 0.000) 5.309 25.801 ( 0.448 0.789 0.000) 0.907 25.808 ( 0.083 1.129 0.000) 1.132 26.055 ( 0.745 -1.815 0.000) 1.962 26.090 ( -0.934 -1.389 0.000) 1.674 27.313 ( 2.613 -0.389 0.000) 2.642 27.365 ( 5.056 -0.616 0.000) 5.093 27.372 ( -1.390 1.140 0.000) 1.797 27.529 ( -3.335 -0.644 0.000) 3.397 28.071 ( 1.013 1.284 0.000) 1.635 28.084 ( 1.189 0.774 0.000) 1.419 28.132 ( -1.570 2.905 0.000) 3.302 28.146 ( -3.145 4.329 0.000) 5.351 28.588 ( 7.699 2.626 0.000) 8.135 28.789 ( -1.816 0.985 0.000) 2.066 29.188 ( 10.609 -3.775 0.000) 11.261 29.466 ( -1.893 -3.202 0.000) 3.720 29.570 ( -3.593 -3.405 0.000) 4.950 29.600 ( -2.675 2.509 0.000) 3.667 30.046 ( 7.066 -3.222 0.000) 7.766 30.442 ( -12.766 -6.643 0.000) 14.391 31.170 ( 10.565 0.016 0.000) 10.565 31.372 ( 11.803 -3.185 0.000) 12.226 31.547 ( -7.786 -0.356 0.000) 7.794 31.702 ( -5.366 -2.617 0.000) 5.971 34.417 ( 8.119 3.384 0.000) 8.796 34.700 ( -5.533 4.205 0.000) 6.950 35.669 ( 11.619 -21.443 0.000) 24.389 35.853 ( -0.608 -10.419 0.000) 10.437 36.294 ( 2.027 9.188 0.000) 9.409 36.475 ( -9.468 14.710 0.000) 17.494 37.109 ( 0.689 -1.879 0.000) 2.001 37.155 ( -1.637 -1.039 0.000) 1.939 38.240 ( 5.029 2.052 0.000) 5.431 38.450 ( -5.233 3.470 0.000) 6.279 38.601 ( 9.207 -1.738 0.000) 9.370 39.026 ( -11.306 -2.842 0.000) 11.657 40.455 ( 13.772 1.087 0.000) 13.815 40.909 ( -7.826 2.923 0.000) 8.354 41.676 ( 12.037 -24.121 0.000) 26.958 41.749 ( 3.913 -7.001 0.000) 8.020 42.753 ( 2.263 -1.462 0.000) 2.694 42.842 ( -2.829 -0.906 0.000) 2.970 42.911 ( 0.662 -1.603 0.000) 1.735 42.946 ( 2.496 -11.225 0.000) 11.499 43.448 ( 3.828 0.986 0.000) 3.952 43.605 ( -3.009 -0.157 0.000) 3.013 43.935 ( 3.471 -5.486 0.000) 6.492 44.091 ( -4.742 -7.990 0.000) 9.291 90.302 ( 0.907 1.109 0.000) 1.432 90.340 ( -0.950 1.322 0.000) 1.627 90.354 ( 1.089 1.006 0.000) 1.483 90.414 ( -2.600 3.131 0.000) 4.070 93.891 ( 5.118 3.214 0.000) 6.043 94.140 ( -7.694 1.671 0.000) 7.874 94.822 ( 8.625 -6.573 0.000) 10.844 95.070 ( -2.144 -16.180 0.000) 16.321 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -29.319 17.156 0.000) 33.970 1.890 ( 29.319 17.156 0.000) 33.970 2.339 ( -27.175 2.062 0.000) 27.253 2.339 ( 27.175 2.062 0.000) 27.253 2.435 ( -10.869 15.690 0.000) 19.087 2.435 ( 10.869 15.690 0.000) 19.087 2.997 ( -12.049 2.768 0.000) 12.363 2.997 ( 12.049 2.768 0.000) 12.363 3.364 ( -6.918 -0.946 0.000) 6.983 3.364 ( 6.918 -0.946 0.000) 6.983 3.557 ( -3.185 -10.878 0.000) 11.335 3.557 ( 3.185 -10.878 0.000) 11.335 3.874 ( -4.178 -6.627 0.000) 7.834 3.874 ( 4.178 -6.627 0.000) 7.834 3.954 ( -10.336 -1.712 0.000) 10.477 3.954 ( 10.336 -1.712 0.000) 10.477 4.065 ( -1.145 -2.843 0.000) 3.065 4.065 ( 1.145 -2.843 0.000) 3.065 4.259 ( -4.334 -3.331 0.000) 5.466 4.259 ( 4.334 -3.331 0.000) 5.466 4.371 ( -5.068 1.743 0.000) 5.359 4.371 ( 5.068 1.743 0.000) 5.359 4.437 ( -3.034 -2.335 0.000) 3.828 4.437 ( 3.034 -2.335 0.000) 3.828 4.494 ( -0.197 4.387 0.000) 4.392 4.494 ( 0.197 4.387 0.000) 4.392 4.817 ( -0.062 6.295 0.000) 6.295 4.817 ( 0.062 6.295 0.000) 6.295 5.029 ( -3.007 -0.932 0.000) 3.148 5.029 ( 3.007 -0.932 0.000) 3.148 5.111 ( -2.427 8.494 0.000) 8.834 5.111 ( 2.427 8.494 0.000) 8.834 5.167 ( -3.955 -0.677 0.000) 4.013 5.167 ( 3.955 -0.677 0.000) 4.013 5.470 ( -1.778 5.576 0.000) 5.853 5.470 ( 1.778 5.576 0.000) 5.853 5.704 ( -2.221 -1.433 0.000) 2.644 5.704 ( 2.221 -1.433 0.000) 2.644 5.800 ( -0.519 -0.343 0.000) 0.622 5.800 ( 0.519 -0.343 0.000) 0.622 5.935 ( -7.564 0.823 0.000) 7.609 5.935 ( 7.564 0.823 0.000) 7.609 5.986 ( -7.114 1.911 0.000) 7.366 5.986 ( 7.114 1.911 0.000) 7.366 6.088 ( -6.533 1.541 0.000) 6.712 6.088 ( 6.533 1.541 0.000) 6.712 6.122 ( -1.373 1.981 0.000) 2.411 6.122 ( 1.373 1.981 0.000) 2.411 6.211 ( -3.964 2.365 0.000) 4.616 6.211 ( 3.964 2.365 0.000) 4.616 6.416 ( -6.658 -1.958 0.000) 6.940 6.416 ( 6.658 -1.958 0.000) 6.940 6.627 ( -2.928 5.026 0.000) 5.817 6.627 ( 2.928 5.026 0.000) 5.817 6.836 ( -1.692 -1.013 0.000) 1.972 6.836 ( 1.692 -1.013 0.000) 1.972 6.937 ( -2.936 -1.250 0.000) 3.190 6.937 ( 2.936 -1.250 0.000) 3.190 7.036 ( -0.205 5.855 0.000) 5.859 7.036 ( 0.205 5.855 0.000) 5.859 7.124 ( -1.529 1.917 0.000) 2.452 7.124 ( 1.529 1.917 0.000) 2.452 7.253 ( -11.689 2.991 0.000) 12.065 7.253 ( 11.689 2.991 0.000) 12.065 7.594 ( -3.851 -3.156 0.000) 4.979 7.594 ( 3.851 -3.156 0.000) 4.979 8.023 ( -1.263 -8.113 0.000) 8.211 8.023 ( 1.263 -8.113 0.000) 8.211 8.338 ( -2.516 -3.700 0.000) 4.474 8.338 ( 2.516 -3.700 0.000) 4.474 8.689 ( -5.562 -8.178 0.000) 9.891 8.689 ( 5.562 -8.178 0.000) 9.891 10.438 ( -4.192 0.002 0.000) 4.192 10.438 ( 4.192 0.002 0.000) 4.192 10.512 ( -4.147 -0.845 0.000) 4.232 10.512 ( 4.147 -0.845 0.000) 4.232 11.183 ( -0.752 0.384 0.000) 0.844 11.183 ( 0.752 0.384 0.000) 0.844 11.239 ( -5.177 0.596 0.000) 5.211 11.239 ( 5.177 0.596 0.000) 5.211 11.299 ( -2.080 -1.024 0.000) 2.318 11.299 ( 2.080 -1.024 0.000) 2.318 11.330 ( -3.764 0.298 0.000) 3.776 11.330 ( 3.764 0.298 0.000) 3.776 12.389 ( -5.613 0.770 0.000) 5.666 12.389 ( 5.613 0.770 0.000) 5.666 12.559 ( -4.792 -1.272 0.000) 4.958 12.559 ( 4.792 -1.272 0.000) 4.958 14.097 ( -2.906 0.162 0.000) 2.910 14.097 ( 2.906 0.162 0.000) 2.910 14.135 ( -2.816 -0.235 0.000) 2.826 14.135 ( 2.816 -0.235 0.000) 2.826 15.272 ( -9.890 0.598 0.000) 9.908 15.272 ( 9.890 0.598 0.000) 9.908 15.422 ( -8.680 -1.648 0.000) 8.835 15.422 ( 8.680 -1.648 0.000) 8.835 15.610 ( -0.112 1.304 0.000) 1.309 15.610 ( 0.112 1.304 0.000) 1.309 15.715 ( -0.324 0.382 0.000) 0.501 15.715 ( 0.324 0.382 0.000) 0.501 18.077 ( -0.185 0.266 0.000) 0.324 18.077 ( 0.185 0.266 0.000) 0.324 18.127 ( -1.487 -0.227 0.000) 1.505 18.127 ( 1.487 -0.227 0.000) 1.505 18.945 ( -4.135 0.432 0.000) 4.158 18.945 ( 4.135 0.432 0.000) 4.158 18.961 ( -1.828 0.242 0.000) 1.844 18.961 ( 1.828 0.242 0.000) 1.844 19.964 ( -0.231 3.192 0.000) 3.200 19.964 ( 0.231 3.192 0.000) 3.200 20.383 ( -0.219 0.902 0.000) 0.928 20.383 ( 0.219 0.902 0.000) 0.928 20.607 ( -0.102 2.715 0.000) 2.716 20.607 ( 0.102 2.715 0.000) 2.716 21.254 ( -0.169 -2.790 0.000) 2.795 21.254 ( 0.169 -2.790 0.000) 2.795 21.772 ( -0.192 0.043 0.000) 0.197 21.772 ( 0.192 0.043 0.000) 0.197 21.784 ( -0.073 -0.095 0.000) 0.119 21.784 ( 0.073 -0.095 0.000) 0.119 25.185 ( -1.711 -0.468 0.000) 1.774 25.185 ( 1.711 -0.468 0.000) 1.774 25.277 ( -3.689 -1.500 0.000) 3.982 25.277 ( 3.689 -1.500 0.000) 3.982 25.808 ( -0.209 0.981 0.000) 1.003 25.808 ( 0.209 0.981 0.000) 1.003 26.072 ( -0.981 -1.577 0.000) 1.857 26.072 ( 0.981 -1.577 0.000) 1.857 27.347 ( -1.384 0.544 0.000) 1.487 27.347 ( 1.384 0.544 0.000) 1.487 27.458 ( -4.431 -0.679 0.000) 4.483 27.458 ( 4.431 -0.679 0.000) 4.483 28.096 ( -1.728 2.300 0.000) 2.877 28.096 ( 1.728 2.300 0.000) 2.877 28.109 ( -1.506 1.624 0.000) 2.215 28.109 ( 1.506 1.624 0.000) 2.215 28.718 ( -5.692 1.845 0.000) 5.983 28.718 ( 5.692 1.845 0.000) 5.983 29.372 ( -8.346 -5.596 0.000) 10.048 29.372 ( 8.346 -5.596 0.000) 10.048 29.550 ( -1.894 2.624 0.000) 3.236 29.550 ( 1.894 2.624 0.000) 3.236 30.215 ( -10.873 -4.624 0.000) 11.816 30.215 ( 10.873 -4.624 0.000) 11.816 31.373 ( -10.464 -0.125 0.000) 10.464 31.373 ( 10.464 -0.125 0.000) 10.464 31.568 ( -8.895 -2.678 0.000) 9.289 31.568 ( 8.895 -2.678 0.000) 9.289 34.572 ( -7.920 3.940 0.000) 8.846 34.572 ( 7.920 3.940 0.000) 8.846 35.811 ( -4.343 -14.544 0.000) 15.178 35.811 ( 4.343 -14.544 0.000) 15.178 36.352 ( -4.428 10.865 0.000) 11.733 36.352 ( 4.428 10.865 0.000) 11.733 37.127 ( -1.277 -1.784 0.000) 2.194 37.127 ( 1.277 -1.784 0.000) 2.194 38.344 ( -5.833 2.669 0.000) 6.414 38.344 ( 5.833 2.669 0.000) 6.414 38.803 ( -11.840 -2.233 0.000) 12.049 38.803 ( 11.840 -2.233 0.000) 12.049 40.712 ( -12.784 2.456 0.000) 13.018 40.712 ( 12.784 2.456 0.000) 13.018 41.783 ( -1.056 -12.194 0.000) 12.240 41.783 ( 1.056 -12.194 0.000) 12.240 42.795 ( -2.220 -1.164 0.000) 2.507 42.795 ( 2.220 -1.164 0.000) 2.507 42.937 ( -1.795 -4.248 0.000) 4.611 42.937 ( 1.795 -4.248 0.000) 4.611 43.532 ( -4.645 0.302 0.000) 4.655 43.532 ( 4.645 0.302 0.000) 4.655 44.006 ( -4.141 -7.113 0.000) 8.230 44.006 ( 4.141 -7.113 0.000) 8.230 90.321 ( -1.087 1.225 0.000) 1.638 90.321 ( 1.087 1.225 0.000) 1.638 90.378 ( -1.527 1.646 0.000) 2.245 90.378 ( 1.527 1.646 0.000) 2.245 94.004 ( -6.749 2.631 0.000) 7.244 94.004 ( 6.749 2.631 0.000) 7.244 94.974 ( -7.186 -10.321 0.000) 12.576 94.974 ( 7.186 -10.321 0.000) 12.576 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.000 24.747 0.000) 24.747 1.277 ( 0.000 30.782 0.000) 30.782 2.074 ( 0.000 45.826 0.000) 45.826 2.475 ( 0.000 -25.679 0.000) 25.679 2.647 ( 0.000 37.532 0.000) 37.532 2.690 ( 0.000 12.141 0.000) 12.141 2.737 ( 0.000 -13.920 0.000) 13.920 2.990 ( 0.000 2.209 0.000) 2.209 3.291 ( 0.000 9.254 0.000) 9.254 3.314 ( 0.000 -9.330 0.000) 9.330 3.340 ( 0.000 -5.595 0.000) 5.595 3.509 ( 0.000 -0.436 0.000) 0.436 3.593 ( 0.000 2.109 0.000) 2.109 3.841 ( 0.000 -4.757 0.000) 4.757 3.890 ( 0.000 -2.470 0.000) 2.470 3.895 ( 0.000 -2.388 0.000) 2.388 3.911 ( 0.000 -1.213 0.000) 1.213 4.135 ( 0.000 -3.873 0.000) 3.873 4.145 ( 0.000 -4.503 0.000) 4.503 4.217 ( 0.000 0.868 0.000) 0.868 4.341 ( 0.000 3.390 0.000) 3.390 4.438 ( 0.000 0.323 0.000) 0.323 4.521 ( 0.000 7.958 0.000) 7.958 4.588 ( 0.000 -0.312 0.000) 0.312 4.605 ( 0.000 4.008 0.000) 4.008 4.681 ( 0.000 -5.518 0.000) 5.518 4.800 ( 0.000 5.713 0.000) 5.713 4.892 ( 0.000 3.401 0.000) 3.401 4.973 ( 0.000 7.149 0.000) 7.149 5.003 ( 0.000 -2.356 0.000) 2.356 5.084 ( 0.000 3.400 0.000) 3.400 5.186 ( 0.000 -4.249 0.000) 4.249 5.225 ( 0.000 -0.369 0.000) 0.369 5.254 ( 0.000 0.468 0.000) 0.468 5.380 ( 0.000 -9.977 0.000) 9.977 5.409 ( 0.000 -3.432 0.000) 3.432 5.417 ( 0.000 2.451 0.000) 2.451 5.523 ( 0.000 4.834 0.000) 4.834 5.544 ( 0.000 3.873 0.000) 3.873 5.681 ( 0.000 -2.822 0.000) 2.822 5.692 ( 0.000 -3.411 0.000) 3.411 5.842 ( 0.000 -3.333 0.000) 3.333 5.867 ( 0.000 -4.603 0.000) 4.603 5.976 ( 0.000 -7.655 0.000) 7.655 6.097 ( 0.000 1.226 0.000) 1.226 6.123 ( 0.000 9.184 0.000) 9.184 6.220 ( 0.000 10.659 0.000) 10.659 6.257 ( 0.000 3.615 0.000) 3.615 6.357 ( 0.000 2.535 0.000) 2.535 6.397 ( 0.000 -4.520 0.000) 4.520 6.454 ( 0.000 10.443 0.000) 10.443 6.545 ( 0.000 -2.963 0.000) 2.963 6.669 ( 0.000 7.912 0.000) 7.912 6.739 ( 0.000 2.241 0.000) 2.241 6.829 ( 0.000 -2.056 0.000) 2.056 6.841 ( 0.000 0.594 0.000) 0.594 6.962 ( 0.000 2.545 0.000) 2.545 7.063 ( 0.000 6.563 0.000) 6.563 7.066 ( 0.000 9.020 0.000) 9.020 7.072 ( 0.000 6.486 0.000) 6.486 7.086 ( 0.000 9.680 0.000) 9.680 7.126 ( 0.000 -0.673 0.000) 0.673 7.292 ( 0.000 -0.775 0.000) 0.775 7.331 ( 0.000 -5.260 0.000) 5.260 7.388 ( 0.000 -3.512 0.000) 3.512 7.729 ( 0.000 -5.181 0.000) 5.181 7.763 ( 0.000 3.641 0.000) 3.641 7.804 ( 0.000 -7.256 0.000) 7.256 8.247 ( 0.000 -13.819 0.000) 13.819 8.352 ( 0.000 -8.122 0.000) 8.122 8.648 ( 0.000 -11.298 0.000) 11.298 8.654 ( 0.000 -15.915 0.000) 15.915 10.349 ( 0.000 2.874 0.000) 2.874 10.518 ( 0.000 -2.061 0.000) 2.061 10.569 ( 0.000 1.509 0.000) 1.509 10.702 ( 0.000 -2.361 0.000) 2.361 11.030 ( 0.000 -0.086 0.000) 0.086 11.043 ( 0.000 -0.555 0.000) 0.555 11.216 ( 0.000 0.455 0.000) 0.455 11.229 ( 0.000 0.830 0.000) 0.830 11.267 ( 0.000 -0.926 0.000) 0.926 11.291 ( 0.000 -0.913 0.000) 0.913 11.446 ( 0.000 1.804 0.000) 1.804 11.533 ( 0.000 -0.975 0.000) 0.975 12.389 ( 0.000 0.579 0.000) 0.579 12.428 ( 0.000 -0.437 0.000) 0.437 12.849 ( 0.000 0.943 0.000) 0.943 12.879 ( 0.000 0.058 0.000) 0.058 13.708 ( 0.000 0.838 0.000) 0.838 13.769 ( 0.000 -0.890 0.000) 0.890 13.849 ( 0.000 0.728 0.000) 0.728 13.906 ( 0.000 -0.833 0.000) 0.833 15.307 ( 0.000 1.770 0.000) 1.770 15.446 ( 0.000 -2.224 0.000) 2.224 15.615 ( 0.000 0.882 0.000) 0.882 15.654 ( 0.000 2.441 0.000) 2.441 15.695 ( 0.000 -1.495 0.000) 1.495 15.740 ( 0.000 0.216 0.000) 0.216 15.994 ( 0.000 1.700 0.000) 1.700 16.053 ( 0.000 0.190 0.000) 0.190 18.006 ( 0.000 0.236 0.000) 0.236 18.018 ( 0.000 -0.079 0.000) 0.079 18.030 ( 0.000 0.811 0.000) 0.811 18.089 ( 0.000 -0.865 0.000) 0.865 18.893 ( 0.000 1.657 0.000) 1.657 18.971 ( 0.000 -0.445 0.000) 0.445 19.127 ( 0.000 1.176 0.000) 1.176 19.171 ( 0.000 -0.045 0.000) 0.045 20.030 ( 0.000 4.660 0.000) 4.660 20.055 ( 0.000 4.780 0.000) 4.780 20.337 ( 0.000 -4.067 0.000) 4.067 20.347 ( 0.000 -2.843 0.000) 2.843 20.700 ( 0.000 7.628 0.000) 7.628 21.013 ( 0.000 3.235 0.000) 3.235 21.202 ( 0.000 -5.935 0.000) 5.935 21.251 ( 0.000 -3.411 0.000) 3.411 21.796 ( 0.000 0.057 0.000) 0.057 21.797 ( 0.000 0.037 0.000) 0.037 21.802 ( 0.000 0.025 0.000) 0.025 21.805 ( 0.000 -0.059 0.000) 0.059 25.163 ( 0.000 -0.372 0.000) 0.372 25.212 ( 0.000 -1.528 0.000) 1.528 25.299 ( 0.000 0.187 0.000) 0.187 25.413 ( 0.000 -3.408 0.000) 3.408 25.809 ( 0.000 1.494 0.000) 1.494 25.840 ( 0.000 2.260 0.000) 2.260 25.984 ( 0.000 -3.395 0.000) 3.395 26.046 ( 0.000 -3.434 0.000) 3.434 27.197 ( 0.000 0.025 0.000) 0.025 27.204 ( 0.000 -0.092 0.000) 0.092 27.464 ( 0.000 2.721 0.000) 2.721 27.592 ( 0.000 -0.972 0.000) 0.972 28.066 ( 0.000 0.442 0.000) 0.442 28.068 ( 0.000 0.695 0.000) 0.695 28.251 ( 0.000 5.445 0.000) 5.445 28.479 ( 0.000 5.305 0.000) 5.305 28.576 ( 0.000 -4.116 0.000) 4.116 28.840 ( 0.000 -4.926 0.000) 4.926 28.869 ( 0.000 3.301 0.000) 3.301 29.075 ( 0.000 -1.622 0.000) 1.622 29.542 ( 0.000 2.447 0.000) 2.447 29.737 ( 0.000 6.232 0.000) 6.232 29.846 ( 0.000 -4.925 0.000) 4.925 30.495 ( 0.000 -15.564 0.000) 15.564 30.957 ( 0.000 -0.609 0.000) 0.609 30.958 ( 0.000 -0.430 0.000) 0.430 31.686 ( 0.000 -0.534 0.000) 0.534 31.727 ( 0.000 -2.695 0.000) 2.695 34.310 ( 0.000 4.697 0.000) 4.697 34.678 ( 0.000 -5.732 0.000) 5.732 34.927 ( 0.000 8.381 0.000) 8.381 35.643 ( 0.000 -11.994 0.000) 11.994 36.482 ( 0.000 12.435 0.000) 12.435 37.044 ( 0.000 -4.199 0.000) 4.199 37.209 ( 0.000 0.677 0.000) 0.677 37.223 ( 0.000 -0.068 0.000) 0.068 38.183 ( 0.000 3.041 0.000) 3.041 38.384 ( 0.000 -2.520 0.000) 2.520 38.682 ( 0.000 7.429 0.000) 7.429 39.133 ( 0.000 -5.036 0.000) 5.036 39.986 ( 0.000 0.994 0.000) 0.994 40.104 ( 0.000 -2.192 0.000) 2.192 41.107 ( 0.000 5.244 0.000) 5.244 41.528 ( 0.000 -6.508 0.000) 6.508 42.601 ( 0.000 0.012 0.000) 0.012 42.671 ( 0.000 -1.887 0.000) 1.887 42.899 ( 0.000 -0.936 0.000) 0.936 42.901 ( 0.000 -0.788 0.000) 0.788 43.429 ( 0.000 3.207 0.000) 3.207 43.713 ( 0.000 2.901 0.000) 2.901 43.753 ( 0.000 -5.947 0.000) 5.947 44.065 ( 0.000 -7.605 0.000) 7.605 90.309 ( 0.000 1.467 0.000) 1.467 90.346 ( 0.000 0.612 0.000) 0.612 90.399 ( 0.000 2.444 0.000) 2.444 90.580 ( 0.000 -2.865 0.000) 2.865 93.905 ( 0.000 7.328 0.000) 7.328 94.375 ( 0.000 -0.389 0.000) 0.389 94.492 ( 0.000 -3.485 0.000) 3.485 94.526 ( 0.000 -10.536 0.000) 10.536 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 27.706 17.097 0.000) 32.556 1.505 ( 18.050 26.682 0.000) 32.214 2.338 ( 24.915 36.265 0.000) 43.999 2.492 ( 3.436 -21.938 0.000) 22.206 2.684 ( 4.798 27.651 0.000) 28.064 2.743 ( 5.641 11.392 0.000) 12.713 2.920 ( 16.654 -3.511 0.000) 17.020 2.948 ( -2.108 1.323 0.000) 2.489 3.090 ( -15.161 6.866 0.000) 16.644 3.340 ( 1.296 -8.223 0.000) 8.325 3.397 ( -6.207 11.063 0.000) 12.685 3.491 ( 6.539 -4.718 0.000) 8.063 3.725 ( 5.208 -6.012 0.000) 7.954 3.789 ( -6.827 -0.322 0.000) 6.834 3.836 ( 4.222 -3.672 0.000) 5.595 3.928 ( 1.710 -2.691 0.000) 3.188 3.988 ( 3.952 -2.710 0.000) 4.792 4.074 ( -7.413 -2.049 0.000) 7.690 4.137 ( -2.019 -3.303 0.000) 3.871 4.244 ( 2.705 -6.925 0.000) 7.435 4.316 ( -2.954 1.367 0.000) 3.255 4.385 ( -6.925 2.944 0.000) 7.525 4.440 ( -2.570 -5.558 0.000) 6.124 4.578 ( 0.760 8.492 0.000) 8.526 4.667 ( 5.021 1.775 0.000) 5.325 4.670 ( -8.323 3.381 0.000) 8.983 4.777 ( 10.917 -2.801 0.000) 11.270 4.901 ( 0.916 1.881 0.000) 2.093 5.036 ( 2.916 -2.087 0.000) 3.586 5.050 ( -7.253 -2.104 0.000) 7.552 5.081 ( -8.099 -4.631 0.000) 9.329 5.163 ( 5.449 7.481 0.000) 9.255 5.223 ( 0.076 1.745 0.000) 1.747 5.293 ( 12.341 5.585 0.000) 13.546 5.391 ( 11.288 1.103 0.000) 11.341 5.463 ( 2.692 0.371 0.000) 2.717 5.560 ( 3.176 5.130 0.000) 6.034 5.582 ( 7.223 1.858 0.000) 7.459 5.642 ( 5.214 -5.463 0.000) 7.552 5.726 ( 4.680 -3.672 0.000) 5.948 5.728 ( 5.967 1.241 0.000) 6.095 5.782 ( -3.682 -1.246 0.000) 3.887 5.879 ( 0.816 -1.290 0.000) 1.527 5.990 ( -6.999 3.820 0.000) 7.974 6.035 ( 3.218 -3.573 0.000) 4.809 6.122 ( -2.408 3.269 0.000) 4.060 6.233 ( 0.666 4.457 0.000) 4.506 6.269 ( -1.104 1.122 0.000) 1.574 6.335 ( -4.855 8.336 0.000) 9.646 6.354 ( 3.565 3.706 0.000) 5.142 6.400 ( -0.593 -2.778 0.000) 2.840 6.634 ( 4.937 -1.836 0.000) 5.267 6.642 ( -2.490 4.955 0.000) 5.545 6.760 ( 3.542 4.291 0.000) 5.564 6.818 ( -9.604 2.891 0.000) 10.030 6.909 ( 2.613 1.910 0.000) 3.237 6.935 ( -2.283 2.366 0.000) 3.288 6.960 ( -10.108 3.109 0.000) 10.575 7.016 ( 5.916 0.681 0.000) 5.955 7.056 ( 0.364 8.141 0.000) 8.150 7.136 ( 4.321 7.915 0.000) 9.018 7.179 ( -0.312 -0.513 0.000) 0.600 7.225 ( -0.078 -0.410 0.000) 0.418 7.318 ( -1.035 -5.541 0.000) 5.637 7.477 ( 3.619 -1.580 0.000) 3.949 7.733 ( -1.243 1.338 0.000) 1.827 7.782 ( 2.571 0.660 0.000) 2.654 7.816 ( 1.386 -6.510 0.000) 6.656 8.238 ( -1.003 -13.223 0.000) 13.261 8.344 ( -1.115 -9.726 0.000) 9.790 8.471 ( -13.097 -6.618 0.000) 14.674 8.626 ( -2.922 -15.719 0.000) 15.988 10.348 ( 0.162 2.478 0.000) 2.483 10.512 ( -1.180 -2.568 0.000) 2.826 10.558 ( -1.325 1.341 0.000) 1.885 10.681 ( -2.550 -2.205 0.000) 3.372 11.062 ( 3.317 0.133 0.000) 3.320 11.087 ( 4.236 -0.624 0.000) 4.282 11.220 ( -0.838 0.775 0.000) 1.141 11.227 ( 0.676 0.563 0.000) 0.880 11.278 ( 1.115 -0.878 0.000) 1.420 11.280 ( -0.953 -0.907 0.000) 1.316 11.423 ( -2.448 1.722 0.000) 2.993 11.505 ( -2.927 -0.875 0.000) 3.055 12.372 ( -1.491 0.688 0.000) 1.642 12.433 ( 0.537 -1.453 0.000) 1.549 12.759 ( -8.737 1.085 0.000) 8.804 12.810 ( -6.824 -0.343 0.000) 6.833 13.780 ( 7.402 0.766 0.000) 7.442 13.838 ( 7.032 -0.863 0.000) 7.085 13.910 ( 6.086 0.796 0.000) 6.138 13.969 ( 6.155 -0.838 0.000) 6.212 15.274 ( -3.144 1.693 0.000) 3.571 15.406 ( -3.871 -2.179 0.000) 4.442 15.610 ( -0.650 0.727 0.000) 0.975 15.651 ( -0.309 2.318 0.000) 2.339 15.688 ( -0.859 -1.472 0.000) 1.704 15.736 ( -0.378 0.129 0.000) 0.399 15.880 ( -11.343 1.833 0.000) 11.490 15.935 ( -11.310 0.337 0.000) 11.315 18.032 ( 2.060 -0.122 0.000) 2.064 18.039 ( 2.091 -0.147 0.000) 2.097 18.045 ( 1.458 0.835 0.000) 1.680 18.105 ( 1.382 -0.856 0.000) 1.626 18.892 ( 0.044 1.528 0.000) 1.529 18.962 ( -0.791 -0.324 0.000) 0.855 19.095 ( -3.148 1.084 0.000) 3.330 19.133 ( -3.745 0.014 0.000) 3.745 20.036 ( 0.527 4.761 0.000) 4.790 20.054 ( -0.055 4.899 0.000) 4.899 20.344 ( 0.691 -3.879 0.000) 3.940 20.351 ( 0.424 -2.809 0.000) 2.841 20.699 ( -0.092 7.419 0.000) 7.420 20.901 ( -8.859 7.480 0.000) 11.594 21.193 ( -0.879 -5.888 0.000) 5.953 21.233 ( -1.736 -3.849 0.000) 4.222 21.788 ( -0.613 0.116 0.000) 0.624 21.794 ( -0.373 -0.038 0.000) 0.375 21.795 ( -0.674 -0.057 0.000) 0.677 21.798 ( -0.592 -0.085 0.000) 0.598 25.160 ( -0.239 -0.472 0.000) 0.529 25.203 ( -0.725 -1.454 0.000) 1.625 25.276 ( -2.245 0.079 0.000) 2.247 25.382 ( -3.105 -3.261 0.000) 4.503 25.814 ( 0.519 1.570 0.000) 1.653 25.841 ( 0.145 2.348 0.000) 2.352 25.990 ( 0.582 -3.310 0.000) 3.360 26.052 ( 0.194 -3.417 0.000) 3.422 27.232 ( 3.783 -0.109 0.000) 3.785 27.259 ( 4.403 -0.862 0.000) 4.487 27.442 ( -1.981 2.495 0.000) 3.185 27.567 ( -2.450 -1.106 0.000) 2.688 28.074 ( 0.829 0.664 0.000) 1.062 28.077 ( 0.982 0.798 0.000) 1.265 28.237 ( -1.437 4.968 0.000) 5.171 28.407 ( -11.447 3.563 0.000) 11.989 28.538 ( 5.758 5.329 0.000) 7.846 28.828 ( -0.210 2.984 0.000) 2.992 28.918 ( 7.489 -5.354 0.000) 9.206 29.263 ( 7.286 -11.661 0.000) 13.750 29.558 ( 2.069 3.548 0.000) 4.107 29.722 ( -1.580 6.018 0.000) 6.222 29.875 ( 2.987 -4.827 0.000) 5.677 30.425 ( -6.985 -14.105 0.000) 15.740 31.007 ( 6.422 0.161 0.000) 6.424 31.079 ( 10.481 -2.362 0.000) 10.743 31.648 ( -3.903 -0.416 0.000) 3.925 31.710 ( -2.102 -2.851 0.000) 3.542 34.370 ( 6.093 5.433 0.000) 8.164 34.904 ( -2.593 8.429 0.000) 8.819 34.913 ( 19.977 -14.101 0.000) 24.452 35.637 ( -0.794 -12.584 0.000) 12.609 36.486 ( 0.453 12.156 0.000) 12.164 37.001 ( -16.993 7.331 0.000) 18.507 37.043 ( -0.047 -4.350 0.000) 4.350 37.181 ( -2.889 -0.527 0.000) 2.936 38.213 ( 3.197 3.176 0.000) 4.507 38.427 ( 4.501 -2.718 0.000) 5.258 38.645 ( -3.824 7.055 0.000) 8.025 39.099 ( -5.305 -6.066 0.000) 8.059 40.217 ( 11.796 -0.497 0.000) 11.806 40.491 ( 41.122 -17.708 0.000) 44.773 41.088 ( -2.375 5.470 0.000) 5.963 41.547 ( 1.623 -7.525 0.000) 7.698 42.652 ( 4.366 -1.790 0.000) 4.718 42.697 ( 3.158 -2.162 0.000) 3.827 42.875 ( -2.327 -0.894 0.000) 2.493 42.890 ( -0.960 -1.118 0.000) 1.473 43.440 ( 1.336 3.083 0.000) 3.360 43.686 ( -2.609 2.748 0.000) 3.789 43.768 ( 1.423 -6.404 0.000) 6.560 44.026 ( -3.955 -7.515 0.000) 8.492 90.315 ( 0.587 1.515 0.000) 1.625 90.353 ( 0.752 0.658 0.000) 0.999 90.393 ( -0.643 2.346 0.000) 2.432 90.533 ( -4.041 -0.560 0.000) 4.079 93.926 ( 2.337 7.309 0.000) 7.674 94.304 ( -5.547 1.515 0.000) 5.751 94.559 ( 5.111 -5.842 0.000) 7.762 94.622 ( 7.492 -15.437 0.000) 17.159 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 35.248 8.986 0.000) 36.375 1.867 ( 20.744 24.127 0.000) 31.818 2.621 ( 7.879 -8.708 0.000) 11.743 2.683 ( 3.967 24.812 0.000) 25.127 2.725 ( -19.698 12.495 0.000) 23.327 2.818 ( -6.950 8.051 0.000) 10.636 2.909 ( 9.551 7.489 0.000) 12.137 2.911 ( 16.243 2.413 0.000) 16.422 3.287 ( -4.398 11.320 0.000) 12.145 3.336 ( -1.635 -5.327 0.000) 5.572 3.347 ( 23.387 2.198 0.000) 23.490 3.565 ( -0.422 -3.110 0.000) 3.139 3.611 ( -11.159 0.511 0.000) 11.170 3.715 ( -3.521 -11.675 0.000) 12.194 3.908 ( -5.423 -3.892 0.000) 6.675 3.925 ( 3.384 -1.102 0.000) 3.559 4.030 ( 8.653 -7.222 0.000) 11.271 4.076 ( 1.461 -2.555 0.000) 2.943 4.123 ( -0.305 -3.694 0.000) 3.707 4.139 ( -7.032 -0.270 0.000) 7.037 4.281 ( 1.042 -1.970 0.000) 2.229 4.342 ( -3.520 -7.640 0.000) 8.412 4.355 ( -5.256 -9.067 0.000) 10.480 4.491 ( -10.745 -2.558 0.000) 11.045 4.663 ( 2.751 8.067 0.000) 8.524 4.708 ( -0.697 6.042 0.000) 6.083 4.907 ( 3.939 1.171 0.000) 4.109 4.929 ( 0.031 1.006 0.000) 1.006 4.986 ( 1.972 4.768 0.000) 5.160 5.051 ( 3.218 -0.886 0.000) 3.337 5.095 ( 8.215 0.076 0.000) 8.216 5.206 ( -0.397 4.042 0.000) 4.062 5.308 ( 8.529 7.395 0.000) 11.289 5.388 ( -8.227 8.170 0.000) 11.594 5.512 ( -5.247 1.122 0.000) 5.366 5.550 ( 6.046 4.483 0.000) 7.526 5.629 ( 2.281 3.390 0.000) 4.086 5.673 ( 13.098 -0.212 0.000) 13.100 5.756 ( 3.439 2.671 0.000) 4.355 5.822 ( 3.557 -2.840 0.000) 4.552 5.830 ( 8.703 2.578 0.000) 9.077 5.871 ( 2.506 1.505 0.000) 2.923 5.898 ( 9.050 1.467 0.000) 9.168 5.901 ( -1.033 -0.541 0.000) 1.167 6.052 ( 1.189 -0.631 0.000) 1.346 6.063 ( -2.150 2.011 0.000) 2.945 6.203 ( -5.531 0.456 0.000) 5.549 6.222 ( 2.459 0.358 0.000) 2.485 6.363 ( -4.355 0.944 0.000) 4.457 6.376 ( -1.053 -0.282 0.000) 1.090 6.393 ( -3.995 4.982 0.000) 6.386 6.555 ( -14.280 -0.128 0.000) 14.281 6.668 ( 7.316 2.703 0.000) 7.799 6.689 ( 0.469 -0.480 0.000) 0.671 6.782 ( -1.878 1.233 0.000) 2.246 6.851 ( 4.519 5.467 0.000) 7.093 6.895 ( -2.241 3.837 0.000) 4.444 6.942 ( -0.169 0.779 0.000) 0.797 7.076 ( 2.314 1.139 0.000) 2.579 7.133 ( 3.965 2.479 0.000) 4.676 7.172 ( -0.458 1.694 0.000) 1.755 7.232 ( 5.558 10.367 0.000) 11.762 7.237 ( -1.061 2.081 0.000) 2.336 7.339 ( 5.438 -8.149 0.000) 9.797 7.476 ( -3.576 1.600 0.000) 3.917 7.661 ( -6.164 2.105 0.000) 6.514 7.842 ( 3.358 -0.549 0.000) 3.403 7.857 ( 2.642 -5.174 0.000) 5.809 8.210 ( -1.780 -11.918 0.000) 12.050 8.247 ( -5.794 -8.806 0.000) 10.541 8.391 ( 2.176 -12.388 0.000) 12.578 8.551 ( -4.764 -15.129 0.000) 15.861 10.369 ( 2.451 1.216 0.000) 2.736 10.477 ( -1.750 -1.999 0.000) 2.657 10.512 ( -3.561 0.777 0.000) 3.645 10.600 ( -5.912 -1.773 0.000) 6.172 11.144 ( 5.099 0.432 0.000) 5.117 11.181 ( 4.892 -0.600 0.000) 4.929 11.201 ( -0.977 0.850 0.000) 1.294 11.231 ( 0.300 1.056 0.000) 1.098 11.269 ( 0.010 -1.177 0.000) 1.177 11.299 ( 0.876 -0.934 0.000) 1.280 11.357 ( -4.349 1.524 0.000) 4.609 11.428 ( -5.051 -0.587 0.000) 5.085 12.355 ( 0.459 1.051 0.000) 1.147 12.455 ( 2.186 -2.190 0.000) 3.094 12.568 ( -10.312 1.352 0.000) 10.401 12.659 ( -8.279 -1.202 0.000) 8.366 13.957 ( 10.308 0.575 0.000) 10.324 14.003 ( 9.314 -0.723 0.000) 9.342 14.047 ( 7.048 0.699 0.000) 7.083 14.096 ( 5.861 -0.697 0.000) 5.903 15.220 ( -1.244 1.426 0.000) 1.893 15.334 ( -2.327 -2.105 0.000) 3.138 15.530 ( -12.066 0.204 0.000) 12.068 15.604 ( -10.905 -2.090 0.000) 11.103 15.646 ( -0.222 2.099 0.000) 2.110 15.676 ( -5.679 2.239 0.000) 6.105 15.728 ( -0.447 0.005 0.000) 0.447 15.739 ( -3.995 0.705 0.000) 4.057 18.068 ( 1.594 0.110 0.000) 1.597 18.074 ( 1.295 0.779 0.000) 1.512 18.084 ( 2.389 -0.265 0.000) 2.403 18.126 ( 0.595 -0.715 0.000) 0.930 18.905 ( 1.579 1.150 0.000) 1.953 18.951 ( -0.085 -0.007 0.000) 0.086 19.025 ( -3.816 0.814 0.000) 3.902 19.045 ( -5.174 0.232 0.000) 5.179 20.045 ( 0.409 5.093 0.000) 5.109 20.053 ( -0.097 5.151 0.000) 5.152 20.358 ( 0.617 -3.373 0.000) 3.429 20.360 ( 0.436 -2.757 0.000) 2.791 20.699 ( 0.177 7.091 0.000) 7.093 20.767 ( -4.863 8.599 0.000) 9.879 21.175 ( -0.780 -5.739 0.000) 5.792 21.196 ( -1.919 -4.729 0.000) 5.104 21.777 ( -0.490 0.135 0.000) 0.508 21.781 ( -0.697 0.000 0.000) 0.697 21.786 ( -0.409 -0.104 0.000) 0.422 21.787 ( -0.507 -0.158 0.000) 0.531 25.158 ( 0.190 -0.488 0.000) 0.524 25.201 ( 0.893 -1.585 0.000) 1.819 25.224 ( -2.980 -0.131 0.000) 2.982 25.310 ( -4.191 -2.732 0.000) 5.003 25.826 ( 0.704 1.784 0.000) 1.918 25.843 ( -0.051 2.321 0.000) 2.322 26.005 ( 0.995 -3.122 0.000) 3.276 26.045 ( -0.827 -3.074 0.000) 3.183 27.308 ( 3.607 0.017 0.000) 3.607 27.349 ( 5.054 -0.919 0.000) 5.137 27.403 ( -2.094 1.873 0.000) 2.809 27.511 ( -3.437 -1.236 0.000) 3.653 28.099 ( 1.933 1.335 0.000) 2.350 28.105 ( 2.012 1.288 0.000) 2.389 28.200 ( -2.455 3.744 0.000) 4.477 28.241 ( -6.453 4.207 0.000) 7.703 28.665 ( 6.951 4.996 0.000) 8.560 28.826 ( -0.933 2.959 0.000) 3.103 29.081 ( 8.878 -6.669 0.000) 11.104 29.294 ( -1.858 -11.060 0.000) 11.215 29.597 ( 1.508 4.108 0.000) 4.376 29.680 ( -2.747 5.645 0.000) 6.277 29.957 ( 5.715 -5.529 0.000) 7.952 30.262 ( -9.627 -10.854 0.000) 14.508 31.174 ( 10.566 0.504 0.000) 10.578 31.300 ( 11.967 -3.647 0.000) 12.511 31.541 ( -7.434 -0.026 0.000) 7.434 31.640 ( -5.475 -3.222 0.000) 6.352 34.520 ( 9.218 6.907 0.000) 11.519 34.827 ( -5.691 8.436 0.000) 10.176 35.266 ( 15.853 -18.348 0.000) 24.248 35.601 ( -3.399 -14.233 0.000) 14.634 36.507 ( 2.055 11.560 0.000) 11.742 36.728 ( -11.263 10.754 0.000) 15.572 37.046 ( 0.564 -4.548 0.000) 4.583 37.119 ( -3.273 -2.741 0.000) 4.269 38.298 ( 5.705 3.705 0.000) 6.803 38.547 ( -6.349 6.037 0.000) 8.761 38.551 ( 8.568 -3.294 0.000) 9.180 38.944 ( -10.349 -5.205 0.000) 11.584 40.494 ( 16.431 2.981 0.000) 16.700 40.997 ( -7.825 5.851 0.000) 9.771 41.153 ( 26.016 -23.896 0.000) 35.325 41.563 ( -0.824 -10.887 0.000) 10.918 42.719 ( 2.910 -1.633 0.000) 3.337 42.788 ( 4.950 -4.754 0.000) 6.863 42.822 ( -2.985 -0.844 0.000) 3.102 42.872 ( -0.921 -2.130 0.000) 2.320 43.482 ( 3.143 2.542 0.000) 4.043 43.625 ( -3.668 2.133 0.000) 4.243 43.801 ( 2.085 -7.296 0.000) 7.588 43.934 ( -5.193 -7.500 0.000) 9.123 90.331 ( 1.058 1.653 0.000) 1.963 90.374 ( 1.459 0.812 0.000) 1.670 90.376 ( -1.112 2.114 0.000) 2.389 90.460 ( -3.358 1.041 0.000) 3.516 93.991 ( 4.448 6.851 0.000) 8.168 94.195 ( -5.903 3.924 0.000) 7.088 94.653 ( 4.603 -9.665 0.000) 10.706 94.723 ( 2.524 -17.067 0.000) 17.252 ======================= Grid point 17 (12/48) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -18.778 18.126 0.000) 26.100 2.272 ( 18.778 18.126 0.000) 26.100 2.417 ( -22.868 7.268 0.000) 23.995 2.417 ( 22.868 7.268 0.000) 23.995 2.768 ( -3.391 11.741 0.000) 12.220 2.768 ( 3.391 11.741 0.000) 12.220 3.064 ( -2.562 3.345 0.000) 4.214 3.064 ( 2.562 3.345 0.000) 4.214 3.290 ( -4.927 -2.751 0.000) 5.644 3.290 ( 4.927 -2.751 0.000) 5.644 3.461 ( -4.594 -0.648 0.000) 4.640 3.461 ( 4.594 -0.648 0.000) 4.640 3.684 ( -4.143 -7.641 0.000) 8.692 3.684 ( 4.143 -7.641 0.000) 8.692 3.939 ( -11.116 0.614 0.000) 11.133 3.939 ( 11.116 0.614 0.000) 11.133 4.012 ( -4.953 -3.141 0.000) 5.865 4.012 ( 4.953 -3.141 0.000) 5.865 4.174 ( -1.408 -5.197 0.000) 5.384 4.174 ( 1.408 -5.197 0.000) 5.384 4.270 ( -0.450 -9.295 0.000) 9.306 4.270 ( 0.450 -9.295 0.000) 9.306 4.324 ( -4.155 -7.267 0.000) 8.371 4.324 ( 4.155 -7.267 0.000) 8.371 4.698 ( -1.576 11.889 0.000) 11.993 4.698 ( 1.576 11.889 0.000) 11.993 4.977 ( -5.404 7.129 0.000) 8.946 4.977 ( 5.404 7.129 0.000) 8.946 5.019 ( -4.377 1.991 0.000) 4.809 5.019 ( 4.377 1.991 0.000) 4.809 5.181 ( -3.904 2.033 0.000) 4.402 5.181 ( 3.904 2.033 0.000) 4.402 5.350 ( -10.233 9.597 0.000) 14.029 5.350 ( 10.233 9.597 0.000) 14.029 5.513 ( -7.568 2.515 0.000) 7.975 5.513 ( 7.568 2.515 0.000) 7.975 5.726 ( -5.419 2.920 0.000) 6.155 5.726 ( 5.419 2.920 0.000) 6.155 5.795 ( -3.644 -0.012 0.000) 3.644 5.795 ( 3.644 -0.012 0.000) 3.644 5.923 ( -0.583 -1.795 0.000) 1.888 5.923 ( 0.583 -1.795 0.000) 1.888 6.014 ( -6.855 1.330 0.000) 6.982 6.014 ( 6.855 1.330 0.000) 6.982 6.124 ( -8.310 1.091 0.000) 8.382 6.124 ( 8.310 1.091 0.000) 8.382 6.181 ( -12.535 3.394 0.000) 12.987 6.181 ( 12.535 3.394 0.000) 12.987 6.242 ( -2.301 -0.550 0.000) 2.366 6.242 ( 2.301 -0.550 0.000) 2.366 6.362 ( -4.639 -2.435 0.000) 5.239 6.362 ( 4.639 -2.435 0.000) 5.239 6.746 ( -2.931 4.725 0.000) 5.560 6.746 ( 2.931 4.725 0.000) 5.560 6.811 ( -1.935 -1.356 0.000) 2.363 6.811 ( 1.935 -1.356 0.000) 2.363 6.940 ( -1.042 2.863 0.000) 3.047 6.940 ( 1.042 2.863 0.000) 3.047 7.156 ( -5.969 4.585 0.000) 7.527 7.156 ( 5.969 4.585 0.000) 7.527 7.158 ( -0.733 1.753 0.000) 1.900 7.158 ( 0.733 1.753 0.000) 1.900 7.365 ( -7.630 7.547 0.000) 10.732 7.365 ( 7.630 7.547 0.000) 10.732 7.505 ( -10.057 -4.179 0.000) 10.891 7.505 ( 10.057 -4.179 0.000) 10.891 7.886 ( -0.443 -3.997 0.000) 4.022 7.886 ( 0.443 -3.997 0.000) 4.022 8.191 ( -0.516 -10.742 0.000) 10.755 8.191 ( 0.516 -10.742 0.000) 10.755 8.460 ( -4.643 -14.179 0.000) 14.920 8.460 ( 4.643 -14.179 0.000) 14.920 10.439 ( -4.122 0.176 0.000) 4.126 10.439 ( 4.122 0.176 0.000) 4.126 10.489 ( -4.144 -1.302 0.000) 4.343 10.489 ( 4.144 -1.302 0.000) 4.343 11.195 ( -0.256 0.794 0.000) 0.835 11.195 ( 0.256 0.794 0.000) 0.835 11.249 ( -4.128 0.007 0.000) 4.128 11.249 ( 4.128 0.007 0.000) 4.128 11.285 ( -2.383 -0.060 0.000) 2.384 11.285 ( 2.383 -0.060 0.000) 2.384 11.330 ( -4.306 -0.341 0.000) 4.320 11.330 ( 4.306 -0.341 0.000) 4.320 12.411 ( -5.787 1.411 0.000) 5.957 12.411 ( 5.787 1.411 0.000) 5.957 12.526 ( -5.495 -1.967 0.000) 5.837 12.526 ( 5.495 -1.967 0.000) 5.837 14.102 ( -2.940 0.334 0.000) 2.959 14.102 ( 2.940 0.334 0.000) 2.959 14.129 ( -2.907 -0.408 0.000) 2.936 14.129 ( 2.907 -0.408 0.000) 2.936 15.288 ( -9.459 1.040 0.000) 9.516 15.288 ( 9.459 1.040 0.000) 9.516 15.383 ( -8.509 -2.080 0.000) 8.760 15.383 ( 8.509 -2.080 0.000) 8.760 15.645 ( -0.222 2.005 0.000) 2.017 15.645 ( 0.222 2.005 0.000) 2.017 15.721 ( -0.142 0.039 0.000) 0.147 15.721 ( 0.142 0.039 0.000) 0.147 18.085 ( -0.175 0.516 0.000) 0.545 18.085 ( 0.175 0.516 0.000) 0.545 18.120 ( -1.263 -0.440 0.000) 1.337 18.120 ( 1.263 -0.440 0.000) 1.337 18.956 ( -3.899 0.664 0.000) 3.956 18.956 ( 3.899 0.664 0.000) 3.956 18.968 ( -2.052 0.394 0.000) 2.090 18.968 ( 2.052 0.394 0.000) 2.090 20.051 ( -0.189 5.285 0.000) 5.288 20.051 ( 0.189 5.285 0.000) 5.288 20.364 ( -0.019 -2.892 0.000) 2.892 20.364 ( 0.019 -2.892 0.000) 2.892 20.712 ( -1.430 7.420 0.000) 7.557 20.712 ( 1.430 7.420 0.000) 7.557 21.171 ( -0.552 -5.406 0.000) 5.434 21.171 ( 0.552 -5.406 0.000) 5.434 21.773 ( -0.117 0.090 0.000) 0.148 21.773 ( 0.117 0.090 0.000) 0.148 21.782 ( -0.024 -0.145 0.000) 0.147 21.782 ( 0.024 -0.145 0.000) 0.147 25.176 ( -1.862 -0.318 0.000) 1.889 25.176 ( 1.862 -0.318 0.000) 1.889 25.239 ( -3.073 -2.097 0.000) 3.721 25.239 ( 3.073 -2.097 0.000) 3.721 25.838 ( -0.476 2.081 0.000) 2.135 25.838 ( 0.476 2.081 0.000) 2.135 26.025 ( -1.161 -2.982 0.000) 3.200 26.025 ( 1.161 -2.982 0.000) 3.200 27.362 ( -2.346 0.998 0.000) 2.549 27.362 ( 2.346 0.998 0.000) 2.549 27.439 ( -4.312 -1.169 0.000) 4.468 27.439 ( 4.312 -1.169 0.000) 4.468 28.150 ( -3.350 2.324 0.000) 4.077 28.150 ( 3.350 2.324 0.000) 4.077 28.150 ( -2.912 2.581 0.000) 3.891 28.150 ( 2.912 2.581 0.000) 3.891 28.776 ( -4.499 4.024 0.000) 6.036 28.776 ( 4.499 4.024 0.000) 6.036 29.223 ( -5.779 -8.817 0.000) 10.542 29.223 ( 5.779 -8.817 0.000) 10.542 29.629 ( -2.331 5.287 0.000) 5.778 29.629 ( 2.331 5.287 0.000) 5.778 30.089 ( -8.335 -7.645 0.000) 11.310 30.089 ( 8.335 -7.645 0.000) 11.310 31.374 ( -10.176 0.371 0.000) 10.183 31.374 ( 10.176 0.371 0.000) 10.183 31.502 ( -9.225 -3.589 0.000) 9.898 31.502 ( 9.225 -3.589 0.000) 9.898 34.691 ( -8.555 8.030 0.000) 11.734 34.691 ( 8.555 8.030 0.000) 11.734 35.493 ( -8.557 -16.612 0.000) 18.686 35.493 ( 8.557 -16.612 0.000) 18.686 36.574 ( -5.513 11.133 0.000) 12.423 36.574 ( 5.513 11.133 0.000) 12.423 37.069 ( -1.942 -4.188 0.000) 4.617 37.069 ( 1.942 -4.188 0.000) 4.617 38.419 ( -6.930 4.746 0.000) 8.399 38.419 ( 6.930 4.746 0.000) 8.399 38.738 ( -11.010 -4.173 0.000) 11.774 38.738 ( 11.010 -4.173 0.000) 11.774 40.789 ( -14.077 5.338 0.000) 15.055 40.789 ( 14.077 5.338 0.000) 15.055 41.475 ( -9.697 -16.918 0.000) 19.500 41.475 ( 9.697 -16.918 0.000) 19.500 42.770 ( -2.647 -1.080 0.000) 2.859 42.770 ( 2.647 -1.080 0.000) 2.859 42.850 ( -1.799 -3.887 0.000) 4.283 42.850 ( 1.799 -3.887 0.000) 4.283 43.552 ( -4.044 1.918 0.000) 4.476 43.552 ( 4.044 1.918 0.000) 4.476 43.851 ( -3.459 -7.701 0.000) 8.442 43.851 ( 3.459 -7.701 0.000) 8.442 90.353 ( -1.267 1.863 0.000) 2.252 90.353 ( 1.267 1.863 0.000) 2.252 90.408 ( -2.242 1.059 0.000) 2.480 90.408 ( 2.242 1.059 0.000) 2.480 94.086 ( -5.549 5.754 0.000) 7.993 94.086 ( 5.549 5.754 0.000) 7.993 94.721 ( -2.301 -13.828 0.000) 14.018 94.721 ( 2.301 -13.828 0.000) 14.018 ======================= Grid point 21 (13/48) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 0.000 26.780 0.000) 26.780 1.861 ( 0.000 27.362 0.000) 27.362 1.944 ( 0.000 -27.155 0.000) 27.155 2.353 ( 0.000 -21.090 0.000) 21.090 2.862 ( 0.000 23.633 0.000) 23.633 2.946 ( 0.000 12.854 0.000) 12.854 3.096 ( 0.000 -5.862 0.000) 5.862 3.133 ( 0.000 17.324 0.000) 17.324 3.180 ( 0.000 -10.061 0.000) 10.061 3.347 ( 0.000 20.696 0.000) 20.696 3.396 ( 0.000 2.924 0.000) 2.924 3.462 ( 0.000 -3.719 0.000) 3.719 3.679 ( 0.000 -16.573 0.000) 16.573 3.719 ( 0.000 7.132 0.000) 7.132 3.781 ( 0.000 -9.940 0.000) 9.940 3.784 ( 0.000 -1.280 0.000) 1.280 3.897 ( 0.000 1.495 0.000) 1.495 4.011 ( 0.000 -7.853 0.000) 7.853 4.122 ( 0.000 3.037 0.000) 3.037 4.212 ( 0.000 -3.071 0.000) 3.071 4.345 ( 0.000 -0.612 0.000) 0.612 4.390 ( 0.000 -3.816 0.000) 3.816 4.606 ( 0.000 1.044 0.000) 1.044 4.623 ( 0.000 -1.059 0.000) 1.059 4.689 ( 0.000 6.105 0.000) 6.105 4.692 ( 0.000 3.891 0.000) 3.891 4.872 ( 0.000 2.173 0.000) 2.173 4.926 ( 0.000 -0.914 0.000) 0.914 4.975 ( 0.000 1.197 0.000) 1.197 5.058 ( 0.000 -6.475 0.000) 6.475 5.077 ( 0.000 2.864 0.000) 2.864 5.165 ( 0.000 -7.165 0.000) 7.165 5.170 ( 0.000 6.166 0.000) 6.166 5.263 ( 0.000 3.819 0.000) 3.819 5.269 ( 0.000 -3.019 0.000) 3.019 5.348 ( 0.000 -3.617 0.000) 3.617 5.495 ( 0.000 4.915 0.000) 4.915 5.589 ( 0.000 1.391 0.000) 1.391 5.600 ( 0.000 -5.403 0.000) 5.403 5.621 ( 0.000 -2.383 0.000) 2.383 5.644 ( 0.000 7.219 0.000) 7.219 5.796 ( 0.000 -1.000 0.000) 1.000 5.802 ( 0.000 -1.722 0.000) 1.722 5.806 ( 0.000 -8.696 0.000) 8.696 6.137 ( 0.000 1.924 0.000) 1.924 6.184 ( 0.000 -2.383 0.000) 2.383 6.349 ( 0.000 5.621 0.000) 5.621 6.416 ( 0.000 2.591 0.000) 2.591 6.434 ( 0.000 3.658 0.000) 3.658 6.455 ( 0.000 11.581 0.000) 11.581 6.476 ( 0.000 -3.230 0.000) 3.230 6.598 ( 0.000 0.812 0.000) 0.812 6.728 ( 0.000 0.280 0.000) 0.280 6.774 ( 0.000 -3.033 0.000) 3.033 6.847 ( 0.000 6.721 0.000) 6.721 6.913 ( 0.000 6.414 0.000) 6.414 6.947 ( 0.000 -3.004 0.000) 3.004 7.041 ( 0.000 -4.894 0.000) 4.894 7.169 ( 0.000 3.040 0.000) 3.040 7.206 ( 0.000 2.818 0.000) 2.818 7.215 ( 0.000 1.507 0.000) 1.507 7.239 ( 0.000 1.820 0.000) 1.820 7.297 ( 0.000 1.872 0.000) 1.872 7.315 ( 0.000 -1.301 0.000) 1.301 7.369 ( 0.000 12.173 0.000) 12.173 7.643 ( 0.000 -11.200 0.000) 11.200 7.644 ( 0.000 -1.080 0.000) 1.080 7.730 ( 0.000 -6.572 0.000) 6.572 8.068 ( 0.000 1.669 0.000) 1.669 8.291 ( 0.000 3.072 0.000) 3.072 8.306 ( 0.000 -17.472 0.000) 17.472 8.431 ( 0.000 -9.697 0.000) 9.697 10.410 ( 0.000 3.091 0.000) 3.091 10.469 ( 0.000 -2.758 0.000) 2.758 10.606 ( 0.000 2.139 0.000) 2.139 10.653 ( 0.000 -2.506 0.000) 2.506 11.029 ( 0.000 0.092 0.000) 0.092 11.034 ( 0.000 -0.358 0.000) 0.358 11.229 ( 0.000 0.784 0.000) 0.784 11.247 ( 0.000 -0.998 0.000) 0.998 11.248 ( 0.000 1.080 0.000) 1.080 11.270 ( 0.000 -1.113 0.000) 1.113 11.481 ( 0.000 1.645 0.000) 1.645 11.511 ( 0.000 -1.282 0.000) 1.282 12.402 ( 0.000 0.714 0.000) 0.714 12.416 ( 0.000 -0.660 0.000) 0.660 12.866 ( 0.000 0.735 0.000) 0.735 12.877 ( 0.000 -0.307 0.000) 0.307 13.727 ( 0.000 1.064 0.000) 1.064 13.749 ( 0.000 -1.088 0.000) 1.088 13.867 ( 0.000 0.971 0.000) 0.971 13.887 ( 0.000 -1.015 0.000) 1.015 15.349 ( 0.000 2.337 0.000) 2.337 15.398 ( 0.000 -2.506 0.000) 2.506 15.636 ( 0.000 1.273 0.000) 1.273 15.664 ( 0.000 -1.512 0.000) 1.512 15.702 ( 0.000 2.104 0.000) 2.104 15.733 ( 0.000 -0.955 0.000) 0.955 16.027 ( 0.000 1.446 0.000) 1.446 16.048 ( 0.000 -0.641 0.000) 0.641 18.011 ( 0.000 0.259 0.000) 0.259 18.016 ( 0.000 -0.189 0.000) 0.189 18.048 ( 0.000 1.030 0.000) 1.030 18.070 ( 0.000 -1.052 0.000) 1.052 18.928 ( 0.000 1.657 0.000) 1.657 18.956 ( 0.000 -1.102 0.000) 1.102 19.150 ( 0.000 1.018 0.000) 1.018 19.166 ( 0.000 -0.495 0.000) 0.495 20.133 ( 0.000 5.510 0.000) 5.510 20.160 ( 0.000 5.512 0.000) 5.512 20.243 ( 0.000 -5.256 0.000) 5.256 20.266 ( 0.000 -4.902 0.000) 4.902 20.876 ( 0.000 9.381 0.000) 9.381 21.057 ( 0.000 -8.390 0.000) 8.390 21.088 ( 0.000 4.140 0.000) 4.140 21.173 ( 0.000 -4.218 0.000) 4.218 21.797 ( 0.000 0.046 0.000) 0.046 21.797 ( 0.000 -0.005 0.000) 0.005 21.803 ( 0.000 0.042 0.000) 0.042 21.804 ( 0.000 -0.058 0.000) 0.058 25.164 ( 0.000 0.484 0.000) 0.484 25.182 ( 0.000 -1.330 0.000) 1.330 25.312 ( 0.000 1.242 0.000) 1.242 25.351 ( 0.000 -2.640 0.000) 2.640 25.850 ( 0.000 2.654 0.000) 2.654 25.896 ( 0.000 3.355 0.000) 3.355 25.913 ( 0.000 -3.498 0.000) 3.498 25.970 ( 0.000 -3.904 0.000) 3.904 27.199 ( 0.000 0.114 0.000) 0.114 27.201 ( 0.000 -0.143 0.000) 0.143 27.520 ( 0.000 2.641 0.000) 2.641 27.565 ( 0.000 -1.823 0.000) 1.823 28.075 ( 0.000 0.361 0.000) 0.361 28.077 ( 0.000 0.171 0.000) 0.171 28.368 ( 0.000 5.965 0.000) 5.965 28.482 ( 0.000 -5.303 0.000) 5.303 28.598 ( 0.000 6.407 0.000) 6.407 28.727 ( 0.000 -6.272 0.000) 6.272 28.943 ( 0.000 3.972 0.000) 3.972 29.021 ( 0.000 -3.574 0.000) 3.574 29.620 ( 0.000 5.123 0.000) 5.123 29.735 ( 0.000 -5.993 0.000) 5.993 29.908 ( 0.000 11.048 0.000) 11.048 30.176 ( 0.000 -15.375 0.000) 15.375 30.949 ( 0.000 -0.172 0.000) 0.172 30.950 ( 0.000 -0.264 0.000) 0.264 31.679 ( 0.000 -0.019 0.000) 0.019 31.689 ( 0.000 -1.127 0.000) 1.127 34.421 ( 0.000 6.208 0.000) 6.208 34.552 ( 0.000 -6.665 0.000) 6.665 35.130 ( 0.000 11.728 0.000) 11.728 35.384 ( 0.000 -13.289 0.000) 13.289 36.727 ( 0.000 11.439 0.000) 11.439 36.923 ( 0.000 -7.958 0.000) 7.958 37.219 ( 0.000 0.313 0.000) 0.313 37.222 ( 0.000 -0.018 0.000) 0.018 38.251 ( 0.000 3.677 0.000) 3.677 38.324 ( 0.000 -3.443 0.000) 3.443 38.844 ( 0.000 8.454 0.000) 8.454 39.006 ( 0.000 -7.439 0.000) 7.439 40.014 ( 0.000 1.844 0.000) 1.844 40.057 ( 0.000 -2.366 0.000) 2.366 41.232 ( 0.000 7.143 0.000) 7.143 41.383 ( 0.000 -7.702 0.000) 7.702 42.609 ( 0.000 0.805 0.000) 0.805 42.634 ( 0.000 -1.658 0.000) 1.658 42.885 ( 0.000 -0.328 0.000) 0.328 42.887 ( 0.000 -0.486 0.000) 0.486 43.513 ( 0.000 5.116 0.000) 5.116 43.628 ( 0.000 -6.261 0.000) 6.261 43.792 ( 0.000 5.052 0.000) 5.052 43.914 ( 0.000 -7.094 0.000) 7.094 90.337 ( 0.000 1.140 0.000) 1.140 90.351 ( 0.000 -0.222 0.000) 0.222 90.454 ( 0.000 3.050 0.000) 3.050 90.518 ( 0.000 -3.242 0.000) 3.242 94.081 ( 0.000 10.127 0.000) 10.127 94.301 ( 0.000 -11.537 0.000) 11.537 94.382 ( 0.000 1.218 0.000) 1.218 94.425 ( 0.000 -2.921 0.000) 2.921 ======================= Grid point 22 (14/48) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 17.797 21.933 0.000) 28.246 2.023 ( 14.333 24.870 0.000) 28.705 2.030 ( 10.168 -23.595 0.000) 25.693 2.477 ( 11.497 -19.468 0.000) 22.610 2.952 ( 5.600 11.605 0.000) 12.885 2.983 ( 3.812 11.498 0.000) 12.114 3.061 ( 1.051 3.964 0.000) 4.101 3.147 ( -3.926 -2.996 0.000) 4.939 3.273 ( 5.957 13.006 0.000) 14.306 3.406 ( 8.924 27.534 0.000) 28.944 3.418 ( 0.360 0.611 0.000) 0.709 3.496 ( 1.091 -4.637 0.000) 4.763 3.680 ( -1.321 -13.490 0.000) 13.554 3.708 ( -2.849 5.248 0.000) 5.971 3.773 ( 1.873 -2.286 0.000) 2.955 3.827 ( 6.098 -13.559 0.000) 14.867 3.917 ( 2.890 3.237 0.000) 4.339 4.053 ( -7.394 0.485 0.000) 7.410 4.067 ( 3.957 -9.589 0.000) 10.374 4.090 ( -7.527 -2.142 0.000) 7.826 4.281 ( -4.859 -2.386 0.000) 5.413 4.316 ( -6.913 -5.255 0.000) 8.684 4.497 ( -13.627 7.123 0.000) 15.376 4.627 ( -10.624 -4.499 0.000) 11.537 4.695 ( 6.646 1.563 0.000) 6.828 4.734 ( 8.228 -2.152 0.000) 8.505 4.779 ( -1.548 7.320 0.000) 7.482 4.890 ( -0.762 -3.250 0.000) 3.338 5.004 ( 1.785 -1.228 0.000) 2.166 5.009 ( -0.676 -1.655 0.000) 1.787 5.086 ( -0.986 5.489 0.000) 5.577 5.197 ( 3.670 -3.659 0.000) 5.183 5.312 ( 4.035 7.137 0.000) 8.199 5.380 ( 16.006 2.716 0.000) 16.235 5.409 ( 11.166 -0.220 0.000) 11.168 5.451 ( 8.119 -4.167 0.000) 9.126 5.588 ( 3.392 1.279 0.000) 3.625 5.600 ( 1.002 0.908 0.000) 1.352 5.619 ( 8.223 0.207 0.000) 8.226 5.642 ( 2.499 -3.070 0.000) 3.959 5.755 ( 3.593 1.562 0.000) 3.918 5.774 ( 1.238 0.144 0.000) 1.246 5.841 ( 7.067 -0.269 0.000) 7.072 5.921 ( 9.152 -6.343 0.000) 11.135 6.112 ( -2.458 4.592 0.000) 5.208 6.167 ( -1.210 -0.283 0.000) 1.243 6.223 ( -7.813 2.027 0.000) 8.072 6.330 ( -2.897 -4.335 0.000) 5.213 6.406 ( -5.395 9.685 0.000) 11.087 6.483 ( -8.231 3.925 0.000) 9.119 6.514 ( 3.879 6.715 0.000) 7.755 6.597 ( 4.752 -2.295 0.000) 5.277 6.682 ( -3.158 1.874 0.000) 3.672 6.809 ( 1.984 -8.233 0.000) 8.469 6.892 ( 3.756 5.758 0.000) 6.874 6.895 ( -10.455 3.512 0.000) 11.029 6.931 ( -6.420 -0.623 0.000) 6.451 6.984 ( 4.037 -3.116 0.000) 5.100 7.046 ( -7.220 3.907 0.000) 8.210 7.146 ( 0.080 -3.943 0.000) 3.944 7.211 ( 0.264 1.833 0.000) 1.852 7.228 ( -1.197 3.053 0.000) 3.279 7.286 ( -0.300 7.060 0.000) 7.067 7.405 ( 3.715 13.136 0.000) 13.652 7.415 ( 2.970 -4.614 0.000) 5.487 7.673 ( 3.030 -10.327 0.000) 10.762 7.720 ( 6.332 0.095 0.000) 6.332 7.773 ( 4.277 -3.629 0.000) 5.609 8.061 ( -0.899 1.011 0.000) 1.353 8.226 ( -6.416 -0.108 0.000) 6.417 8.285 ( -2.241 -16.964 0.000) 17.111 8.315 ( -10.874 -7.457 0.000) 13.185 10.402 ( -0.667 2.842 0.000) 2.919 10.459 ( -1.138 -2.779 0.000) 3.003 10.591 ( -1.743 1.940 0.000) 2.608 10.634 ( -2.175 -2.316 0.000) 3.177 11.066 ( 3.723 0.318 0.000) 3.736 11.075 ( 4.079 -0.542 0.000) 4.115 11.238 ( -0.915 1.016 0.000) 1.367 11.241 ( 0.960 0.830 0.000) 1.269 11.259 ( 1.101 -0.971 0.000) 1.468 11.260 ( -0.967 -1.069 0.000) 1.442 11.457 ( -2.596 1.576 0.000) 3.037 11.484 ( -2.737 -1.201 0.000) 2.989 12.388 ( -1.152 0.937 0.000) 1.485 12.409 ( -0.540 -1.097 0.000) 1.223 12.781 ( -8.325 1.049 0.000) 8.391 12.799 ( -7.631 -0.738 0.000) 7.667 13.798 ( 7.255 0.993 0.000) 7.322 13.819 ( 7.121 -1.033 0.000) 7.196 13.929 ( 6.148 1.018 0.000) 6.231 13.950 ( 6.167 -1.033 0.000) 6.253 15.314 ( -3.395 2.188 0.000) 4.039 15.360 ( -3.695 -2.373 0.000) 4.391 15.630 ( -0.994 1.187 0.000) 1.548 15.657 ( -1.075 -1.529 0.000) 1.869 15.696 ( -0.477 2.056 0.000) 2.110 15.728 ( -0.492 -0.993 0.000) 1.108 15.914 ( -11.045 1.478 0.000) 11.143 15.935 ( -11.080 -0.512 0.000) 11.091 18.032 ( 1.978 0.152 0.000) 1.983 18.036 ( 1.970 -0.171 0.000) 1.977 18.064 ( 1.463 1.040 0.000) 1.795 18.085 ( 1.433 -1.047 0.000) 1.775 18.924 ( -0.226 1.538 0.000) 1.555 18.950 ( -0.511 -0.968 0.000) 1.095 19.116 ( -3.359 0.920 0.000) 3.483 19.130 ( -3.573 -0.407 0.000) 3.596 20.141 ( 0.737 5.582 0.000) 5.631 20.162 ( 0.183 5.629 0.000) 5.632 20.251 ( 0.838 -5.265 0.000) 5.331 20.270 ( 0.374 -4.973 0.000) 4.988 20.871 ( -0.444 9.219 0.000) 9.230 21.032 ( -5.123 5.950 0.000) 7.851 21.050 ( -0.718 -8.281 0.000) 8.312 21.143 ( -2.928 -5.103 0.000) 5.883 21.791 ( -0.549 0.117 0.000) 0.562 21.793 ( -0.463 -0.084 0.000) 0.471 21.795 ( -0.689 0.033 0.000) 0.690 21.796 ( -0.660 -0.073 0.000) 0.664 25.158 ( -0.415 0.356 0.000) 0.547 25.175 ( -0.601 -1.211 0.000) 1.352 25.287 ( -2.467 1.118 0.000) 2.709 25.323 ( -2.745 -2.481 0.000) 3.700 25.857 ( 0.656 2.699 0.000) 2.777 25.900 ( 0.241 3.447 0.000) 3.455 25.920 ( 0.689 -3.478 0.000) 3.545 25.975 ( 0.305 -3.987 0.000) 3.999 27.235 ( 3.667 0.362 0.000) 3.685 27.245 ( 3.953 -0.622 0.000) 4.002 27.494 ( -2.407 2.505 0.000) 3.474 27.538 ( -2.570 -1.859 0.000) 3.172 28.086 ( 1.164 0.450 0.000) 1.248 28.088 ( 1.210 0.225 0.000) 1.231 28.339 ( -2.928 4.814 0.000) 5.635 28.414 ( -6.149 -2.283 0.000) 6.560 28.659 ( 5.912 6.648 0.000) 8.897 28.795 ( 6.558 -6.704 0.000) 9.379 28.920 ( -0.553 6.098 0.000) 6.123 29.066 ( 2.230 -8.402 0.000) 8.693 29.649 ( 2.662 5.397 0.000) 6.018 29.765 ( 2.897 -5.921 0.000) 6.592 29.885 ( -2.352 10.408 0.000) 10.670 30.134 ( -4.209 -14.134 0.000) 14.748 31.016 ( 7.238 0.800 0.000) 7.282 31.040 ( 8.521 -1.554 0.000) 8.661 31.647 ( -3.427 0.344 0.000) 3.444 31.665 ( -2.701 -1.556 0.000) 3.117 34.502 ( 8.157 7.771 0.000) 11.266 34.680 ( 12.229 -10.002 0.000) 15.798 35.109 ( -2.392 11.916 0.000) 12.154 35.369 ( -1.817 -13.685 0.000) 13.805 36.726 ( -0.042 11.270 0.000) 11.270 36.920 ( -0.211 -7.985 0.000) 7.988 37.105 ( -10.332 3.657 0.000) 10.960 37.158 ( -5.792 -1.817 0.000) 6.070 38.285 ( 3.578 3.873 0.000) 5.273 38.362 ( 4.043 -3.665 0.000) 5.457 38.800 ( -4.587 8.192 0.000) 9.389 38.961 ( -5.088 -7.631 0.000) 9.172 40.221 ( 16.392 1.198 0.000) 16.436 40.282 ( 24.627 -5.526 0.000) 25.239 41.220 ( -1.722 7.583 0.000) 7.776 41.383 ( -0.415 -8.490 0.000) 8.500 42.639 ( 2.955 0.312 0.000) 2.971 42.659 ( 2.619 -1.574 0.000) 3.055 42.864 ( -2.110 -0.160 0.000) 2.116 42.870 ( -1.621 -0.764 0.000) 1.792 43.521 ( 0.992 5.008 0.000) 5.106 43.637 ( 0.892 -6.389 0.000) 6.451 43.762 ( -3.012 4.843 0.000) 5.704 43.879 ( -3.523 -6.814 0.000) 7.671 90.343 ( 0.697 1.191 0.000) 1.381 90.358 ( 0.781 -0.240 0.000) 0.817 90.445 ( -0.983 2.771 0.000) 2.941 90.499 ( -1.887 -2.454 0.000) 3.096 94.105 ( 2.446 10.492 0.000) 10.773 94.341 ( 3.665 -12.964 0.000) 13.472 94.353 ( -2.424 3.513 0.000) 4.268 94.444 ( 1.263 -5.402 0.000) 5.548 ======================= Grid point 23 (15/48) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 28.299 13.902 0.000) 31.529 2.322 ( 16.827 21.461 0.000) 27.272 2.331 ( 20.741 -16.241 0.000) 26.343 2.710 ( 10.584 -16.041 0.000) 19.218 2.914 ( -7.395 7.395 0.000) 10.458 2.986 ( -13.234 11.187 0.000) 17.328 3.068 ( 3.594 4.959 0.000) 6.124 3.103 ( -6.138 -10.810 0.000) 12.431 3.275 ( 3.002 23.487 0.000) 23.678 3.419 ( 0.050 -1.416 0.000) 1.417 3.450 ( -4.436 -7.588 0.000) 8.790 3.574 ( -3.048 -1.493 0.000) 3.394 3.661 ( -0.592 9.052 0.000) 9.071 3.712 ( 8.601 15.317 0.000) 17.567 3.844 ( 4.197 -7.771 0.000) 8.832 3.852 ( -4.847 1.149 0.000) 4.981 3.967 ( 2.151 3.040 0.000) 3.724 3.970 ( 3.813 -7.968 0.000) 8.833 4.034 ( -0.543 -8.925 0.000) 8.942 4.095 ( -1.371 -7.201 0.000) 7.330 4.173 ( -5.949 -4.194 0.000) 7.279 4.197 ( -6.341 -5.308 0.000) 8.270 4.263 ( -11.069 3.126 0.000) 11.502 4.380 ( -13.684 -6.822 0.000) 15.290 4.812 ( 7.539 5.174 0.000) 9.144 4.847 ( 5.744 7.527 0.000) 9.468 4.918 ( 13.024 -4.482 0.000) 13.773 4.923 ( 5.357 -0.549 0.000) 5.385 5.030 ( 1.748 1.940 0.000) 2.611 5.077 ( 3.219 -1.668 0.000) 3.625 5.094 ( 0.995 6.705 0.000) 6.779 5.258 ( 0.956 -8.467 0.000) 8.521 5.385 ( 4.321 11.230 0.000) 12.033 5.528 ( 0.498 5.475 0.000) 5.498 5.586 ( 4.000 -6.664 0.000) 7.772 5.593 ( 2.757 0.602 0.000) 2.822 5.630 ( 4.786 3.019 0.000) 5.659 5.696 ( 9.819 5.640 0.000) 11.324 5.723 ( 5.217 -5.420 0.000) 7.523 5.791 ( 8.069 -0.754 0.000) 8.105 5.852 ( 10.152 -0.053 0.000) 10.152 5.865 ( 7.220 -1.391 0.000) 7.353 5.965 ( 2.832 4.173 0.000) 5.043 6.039 ( 2.908 -2.240 0.000) 3.671 6.047 ( -5.472 11.771 0.000) 12.981 6.097 ( -2.449 1.980 0.000) 3.149 6.158 ( -1.879 -3.039 0.000) 3.573 6.278 ( -5.503 5.692 0.000) 7.917 6.280 ( -5.105 -8.419 0.000) 9.846 6.365 ( -5.703 -1.685 0.000) 5.947 6.510 ( -7.186 4.592 0.000) 8.528 6.561 ( -13.177 -0.602 0.000) 13.191 6.698 ( 5.544 2.795 0.000) 6.208 6.703 ( -0.319 1.958 0.000) 1.984 6.758 ( -4.126 -2.962 0.000) 5.079 6.829 ( 0.083 -8.567 0.000) 8.567 6.994 ( 6.849 6.880 0.000) 9.708 7.039 ( 1.044 7.060 0.000) 7.137 7.083 ( 4.901 -1.826 0.000) 5.230 7.156 ( -0.003 -3.735 0.000) 3.735 7.207 ( 0.026 2.830 0.000) 2.830 7.224 ( 3.102 -1.088 0.000) 3.287 7.304 ( 1.556 6.158 0.000) 6.351 7.432 ( -0.617 -5.012 0.000) 5.050 7.496 ( 5.696 13.963 0.000) 15.080 7.751 ( 5.051 -8.635 0.000) 10.004 7.775 ( -3.399 7.482 0.000) 8.218 7.872 ( 5.756 0.892 0.000) 5.825 8.031 ( -2.328 -0.359 0.000) 2.356 8.059 ( -11.440 -6.226 0.000) 13.024 8.141 ( -3.533 -11.111 0.000) 11.659 8.227 ( -3.659 -15.766 0.000) 16.184 10.398 ( 0.804 1.711 0.000) 1.890 10.436 ( -0.634 -2.025 0.000) 2.122 10.533 ( -4.420 1.307 0.000) 4.609 10.564 ( -5.251 -1.755 0.000) 5.537 11.155 ( 5.206 0.607 0.000) 5.241 11.168 ( 5.161 -0.681 0.000) 5.205 11.221 ( -0.730 1.130 0.000) 1.345 11.245 ( -0.411 -1.251 0.000) 1.317 11.254 ( 0.576 1.212 0.000) 1.342 11.278 ( 0.799 -1.168 0.000) 1.416 11.388 ( -4.571 1.424 0.000) 4.788 11.412 ( -4.759 -1.017 0.000) 4.867 12.381 ( 1.026 1.493 0.000) 1.811 12.415 ( 1.693 -1.863 0.000) 2.518 12.598 ( -9.920 1.619 0.000) 10.051 12.630 ( -9.212 -1.568 0.000) 9.344 13.971 ( 9.988 0.772 0.000) 10.018 13.987 ( 9.634 -0.835 0.000) 9.670 14.063 ( 6.660 0.880 0.000) 6.718 14.080 ( 6.240 -0.874 0.000) 6.301 15.253 ( -1.681 1.808 0.000) 2.469 15.292 ( -2.113 -2.071 0.000) 2.958 15.541 ( -11.354 0.918 0.000) 11.392 15.567 ( -11.158 -1.595 0.000) 11.272 15.687 ( -0.401 1.941 0.000) 1.982 15.718 ( -0.482 -1.020 0.000) 1.128 15.718 ( -5.433 1.736 0.000) 5.703 15.741 ( -4.940 -0.514 0.000) 4.967 18.072 ( 1.949 0.293 0.000) 1.971 18.078 ( 2.220 -0.310 0.000) 2.242 18.091 ( 1.102 0.938 0.000) 1.447 18.110 ( 0.857 -0.908 0.000) 1.248 18.929 ( 1.013 1.121 0.000) 1.511 18.946 ( 0.416 -0.553 0.000) 0.692 19.040 ( -4.249 0.589 0.000) 4.290 19.047 ( -4.749 -0.086 0.000) 4.750 20.156 ( 0.736 5.803 0.000) 5.850 20.166 ( 0.150 5.866 0.000) 5.868 20.269 ( 0.881 -5.276 0.000) 5.349 20.278 ( 0.346 -5.123 0.000) 5.135 20.864 ( -0.080 8.875 0.000) 8.875 20.935 ( -4.470 8.008 0.000) 9.171 21.036 ( -0.469 -7.996 0.000) 8.010 21.082 ( -3.069 -6.608 0.000) 7.286 21.780 ( -0.490 0.162 0.000) 0.516 21.782 ( -0.613 0.075 0.000) 0.617 21.783 ( -0.461 -0.149 0.000) 0.484 21.784 ( -0.549 -0.130 0.000) 0.564 25.155 ( 0.333 0.322 0.000) 0.463 25.172 ( 0.549 -1.241 0.000) 1.357 25.230 ( -3.234 0.851 0.000) 3.344 25.260 ( -3.612 -2.093 0.000) 4.175 25.873 ( 0.971 2.844 0.000) 3.005 25.901 ( -0.239 3.388 0.000) 3.396 25.937 ( 1.095 -3.457 0.000) 3.627 25.974 ( -0.508 -3.813 0.000) 3.847 27.314 ( 4.277 0.586 0.000) 4.317 27.330 ( 4.744 -0.917 0.000) 4.832 27.443 ( -2.873 2.024 0.000) 3.514 27.481 ( -3.347 -1.735 0.000) 3.770 28.121 ( 2.664 0.748 0.000) 2.767 28.125 ( 2.678 0.439 0.000) 2.713 28.268 ( -4.328 2.656 0.000) 5.078 28.291 ( -6.295 0.587 0.000) 6.323 28.785 ( 6.569 6.914 0.000) 9.536 28.918 ( -0.457 6.391 0.000) 6.407 28.934 ( 7.227 -7.728 0.000) 10.581 29.081 ( -0.560 -9.723 0.000) 9.739 29.702 ( 2.797 6.152 0.000) 6.758 29.827 ( -3.631 9.012 0.000) 9.716 29.833 ( 4.197 -6.654 0.000) 7.867 30.034 ( -6.024 -11.349 0.000) 12.848 31.194 ( 10.783 1.492 0.000) 10.886 31.235 ( 11.334 -2.704 0.000) 11.652 31.550 ( -6.848 1.000 0.000) 6.920 31.583 ( -6.105 -2.305 0.000) 6.525 34.694 ( 11.243 10.514 0.000) 15.393 34.941 ( 14.040 -14.267 0.000) 20.016 35.035 ( -5.679 12.253 0.000) 13.505 35.307 ( -5.054 -14.635 0.000) 15.483 36.734 ( 1.282 10.750 0.000) 10.826 36.912 ( -8.956 7.797 0.000) 11.874 36.922 ( 0.709 -7.870 0.000) 7.902 37.041 ( -5.847 -5.120 0.000) 7.771 38.382 ( 6.649 4.544 0.000) 8.054 38.473 ( 7.663 -4.354 0.000) 8.814 38.681 ( -7.752 7.155 0.000) 10.549 38.823 ( -9.131 -6.768 0.000) 11.366 40.586 ( 20.529 6.670 0.000) 21.585 40.782 ( 25.195 -13.536 0.000) 28.601 41.143 ( -7.227 8.692 0.000) 11.304 41.340 ( -5.074 -10.884 0.000) 12.008 42.702 ( 3.393 0.129 0.000) 3.395 42.724 ( 3.854 -2.047 0.000) 4.364 42.815 ( -2.817 0.255 0.000) 2.829 42.834 ( -2.143 -1.537 0.000) 2.637 43.552 ( 2.378 4.499 0.000) 5.088 43.662 ( 1.842 -6.372 0.000) 6.633 43.690 ( -4.331 4.284 0.000) 6.091 43.795 ( -4.940 -6.235 0.000) 7.955 90.362 ( 1.281 1.355 0.000) 1.865 90.380 ( 1.493 -0.314 0.000) 1.526 90.420 ( -1.551 2.186 0.000) 2.680 90.456 ( -2.407 -1.228 0.000) 2.702 94.165 ( 3.709 10.536 0.000) 11.170 94.301 ( -3.146 6.703 0.000) 7.405 94.411 ( 3.284 -14.029 0.000) 14.408 94.461 ( 0.407 -9.139 0.000) 9.148 ======================= Grid point 24 (16/48) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -17.061 9.556 0.000) 19.555 2.515 ( 17.061 9.556 0.000) 19.555 2.660 ( -1.656 5.594 0.000) 5.834 2.660 ( 1.656 5.594 0.000) 5.834 2.782 ( -9.908 2.139 0.000) 10.137 2.782 ( 9.908 2.139 0.000) 10.137 3.027 ( -7.124 -10.609 0.000) 12.779 3.027 ( 7.124 -10.609 0.000) 12.779 3.371 ( -3.844 7.112 0.000) 8.085 3.371 ( 3.844 7.112 0.000) 8.085 3.469 ( -5.137 0.532 0.000) 5.164 3.469 ( 5.137 0.532 0.000) 5.164 3.686 ( -3.195 8.566 0.000) 9.143 3.686 ( 3.195 8.566 0.000) 9.143 3.925 ( -4.516 -8.615 0.000) 9.727 3.925 ( 4.516 -8.615 0.000) 9.727 3.990 ( -9.289 3.897 0.000) 10.073 3.990 ( 9.289 3.897 0.000) 10.073 4.050 ( -5.897 -3.478 0.000) 6.846 4.050 ( 5.897 -3.478 0.000) 6.846 4.121 ( -2.727 -4.750 0.000) 5.477 4.121 ( 2.727 -4.750 0.000) 5.477 4.157 ( -8.541 -7.625 0.000) 11.449 4.157 ( 8.541 -7.625 0.000) 11.449 4.922 ( -0.529 9.723 0.000) 9.737 4.922 ( 0.529 9.723 0.000) 9.737 5.031 ( -2.920 -0.465 0.000) 2.957 5.031 ( 2.920 -0.465 0.000) 2.957 5.085 ( -1.852 2.727 0.000) 3.296 5.085 ( 1.852 2.727 0.000) 3.296 5.168 ( -9.938 -4.699 0.000) 10.993 5.168 ( 9.938 -4.699 0.000) 10.993 5.478 ( -4.622 8.381 0.000) 9.572 5.478 ( 4.622 8.381 0.000) 9.572 5.608 ( -0.201 -1.023 0.000) 1.042 5.608 ( 0.201 -1.023 0.000) 1.042 5.774 ( -8.080 2.082 0.000) 8.344 5.774 ( 8.080 2.082 0.000) 8.344 5.811 ( -1.990 -0.395 0.000) 2.029 5.811 ( 1.990 -0.395 0.000) 2.029 5.922 ( -4.701 5.695 0.000) 7.385 5.922 ( 4.701 5.695 0.000) 7.385 6.048 ( -9.370 -0.121 0.000) 9.371 6.048 ( 9.370 -0.121 0.000) 9.371 6.100 ( -6.961 -1.838 0.000) 7.200 6.100 ( 6.961 -1.838 0.000) 7.200 6.160 ( -3.743 -4.675 0.000) 5.989 6.160 ( 3.743 -4.675 0.000) 5.989 6.268 ( -10.144 3.714 0.000) 10.803 6.268 ( 10.144 3.714 0.000) 10.803 6.329 ( -6.689 -2.002 0.000) 6.982 6.329 ( 6.689 -2.002 0.000) 6.982 6.767 ( -0.426 -0.225 0.000) 0.482 6.767 ( 0.426 -0.225 0.000) 0.482 6.788 ( -4.822 -1.772 0.000) 5.137 6.788 ( 4.822 -1.772 0.000) 5.137 7.051 ( -0.194 6.266 0.000) 6.269 7.051 ( 0.194 6.266 0.000) 6.269 7.142 ( -1.282 -2.664 0.000) 2.957 7.142 ( 1.282 -2.664 0.000) 2.957 7.266 ( -5.928 5.738 0.000) 8.250 7.266 ( 5.928 5.738 0.000) 8.250 7.368 ( -7.349 -4.244 0.000) 8.486 7.368 ( 7.349 -4.244 0.000) 8.486 7.627 ( -8.906 12.703 0.000) 15.514 7.627 ( 8.906 12.703 0.000) 15.514 7.864 ( -7.421 -4.343 0.000) 8.599 7.864 ( 7.421 -4.343 0.000) 8.599 7.973 ( -3.730 -3.469 0.000) 5.094 7.973 ( 3.730 -3.469 0.000) 5.094 8.158 ( -3.338 -14.693 0.000) 15.068 8.158 ( 3.338 -14.693 0.000) 15.068 10.446 ( -4.093 0.619 0.000) 4.140 10.446 ( 4.093 0.619 0.000) 4.140 10.464 ( -4.099 -1.133 0.000) 4.252 10.464 ( 4.099 -1.133 0.000) 4.252 11.214 ( -0.423 1.065 0.000) 1.145 11.214 ( 0.423 1.065 0.000) 1.145 11.236 ( -1.504 -1.033 0.000) 1.824 11.236 ( 1.504 -1.033 0.000) 1.824 11.298 ( -4.299 1.028 0.000) 4.421 11.298 ( 4.299 1.028 0.000) 4.421 11.318 ( -4.588 -0.859 0.000) 4.668 11.318 ( 4.588 -0.859 0.000) 4.668 12.444 ( -5.928 1.878 0.000) 6.218 12.444 ( 5.928 1.878 0.000) 6.218 12.485 ( -5.886 -2.104 0.000) 6.251 12.485 ( 5.886 -2.104 0.000) 6.251 14.110 ( -2.975 0.457 0.000) 3.010 14.110 ( 2.975 0.457 0.000) 3.010 14.120 ( -2.973 -0.485 0.000) 3.012 14.120 ( 2.973 -0.485 0.000) 3.012 15.313 ( -8.995 1.382 0.000) 9.101 15.313 ( 8.995 1.382 0.000) 9.101 15.344 ( -8.644 -1.769 0.000) 8.823 15.344 ( 8.644 -1.769 0.000) 8.823 15.684 ( -0.209 1.824 0.000) 1.836 15.684 ( 0.209 1.824 0.000) 1.836 15.713 ( -0.062 -0.932 0.000) 0.934 15.713 ( 0.062 -0.932 0.000) 0.934 18.097 ( -0.564 0.639 0.000) 0.852 18.097 ( 0.564 0.639 0.000) 0.852 18.110 ( -0.937 -0.598 0.000) 1.111 18.110 ( 0.937 -0.598 0.000) 1.111 18.969 ( -3.288 0.486 0.000) 3.323 18.969 ( 3.288 0.486 0.000) 3.323 18.973 ( -2.599 0.041 0.000) 2.599 18.973 ( 2.599 0.041 0.000) 2.599 20.165 ( -0.230 5.968 0.000) 5.972 20.165 ( 0.230 5.968 0.000) 5.972 20.280 ( -0.222 -5.238 0.000) 5.243 20.280 ( 0.222 -5.238 0.000) 5.243 20.877 ( -1.704 8.599 0.000) 8.766 20.877 ( 1.704 8.599 0.000) 8.766 21.041 ( -1.165 -7.533 0.000) 7.623 21.041 ( 1.165 -7.533 0.000) 7.623 21.775 ( -0.047 0.141 0.000) 0.149 21.775 ( 0.047 0.141 0.000) 0.149 21.778 ( -0.013 -0.163 0.000) 0.164 21.778 ( 0.013 -0.163 0.000) 0.164 25.178 ( -2.103 0.569 0.000) 2.179 25.178 ( 2.103 0.569 0.000) 2.179 25.200 ( -2.494 -1.635 0.000) 2.982 25.200 ( 2.494 -1.635 0.000) 2.982 25.890 ( -0.809 3.106 0.000) 3.209 25.890 ( 0.809 3.106 0.000) 3.209 25.958 ( -1.083 -3.551 0.000) 3.712 25.958 ( 1.083 -3.551 0.000) 3.712 27.386 ( -3.315 1.301 0.000) 3.561 27.386 ( 3.315 1.301 0.000) 3.561 27.413 ( -3.979 -1.377 0.000) 4.210 27.413 ( 3.979 -1.377 0.000) 4.210 28.186 ( -4.163 1.201 0.000) 4.333 28.186 ( 4.163 1.201 0.000) 4.333 28.190 ( -4.379 0.980 0.000) 4.487 28.190 ( 4.379 0.980 0.000) 4.487 28.883 ( -3.566 6.721 0.000) 7.608 28.883 ( 3.566 6.721 0.000) 7.608 29.041 ( -3.897 -8.873 0.000) 9.691 29.041 ( 3.897 -8.873 0.000) 9.691 29.759 ( -3.405 7.565 0.000) 8.296 29.759 ( 3.405 7.565 0.000) 8.296 29.923 ( -5.479 -8.594 0.000) 10.192 29.923 ( 5.479 -8.594 0.000) 10.192 31.392 ( -9.851 1.503 0.000) 9.965 31.392 ( 9.851 1.503 0.000) 9.965 31.436 ( -9.540 -2.839 0.000) 9.954 31.436 ( 9.540 -2.839 0.000) 9.954 34.893 ( -9.407 12.066 0.000) 15.300 34.893 ( 9.407 12.066 0.000) 15.300 35.169 ( -9.843 -15.354 0.000) 18.239 35.169 ( 9.843 -15.354 0.000) 18.239 36.786 ( -4.536 9.771 0.000) 10.773 36.786 ( 4.536 9.771 0.000) 10.773 36.956 ( -3.091 -7.120 0.000) 7.762 36.956 ( 3.091 -7.120 0.000) 7.762 38.526 ( -8.360 5.738 0.000) 10.140 38.526 ( 8.360 5.738 0.000) 10.140 38.640 ( -9.795 -5.474 0.000) 11.221 38.640 ( 9.795 -5.474 0.000) 11.221 40.932 ( -15.308 9.130 0.000) 17.824 40.932 ( 15.308 9.130 0.000) 17.824 41.161 ( -14.726 -13.830 0.000) 20.202 41.161 ( 14.726 -13.830 0.000) 20.202 42.762 ( -2.948 0.413 0.000) 2.977 42.762 ( 2.948 0.413 0.000) 2.977 42.788 ( -2.842 -2.247 0.000) 3.623 42.788 ( 2.842 -2.247 0.000) 3.623 43.611 ( -3.815 3.991 0.000) 5.521 43.611 ( 3.815 3.991 0.000) 5.521 43.712 ( -3.645 -6.062 0.000) 7.073 43.712 ( 3.645 -6.062 0.000) 7.073 90.390 ( -1.615 1.673 0.000) 2.325 90.390 ( 1.615 1.673 0.000) 2.325 90.413 ( -2.087 -0.555 0.000) 2.160 90.413 ( 2.087 -0.555 0.000) 2.160 94.236 ( -3.694 9.238 0.000) 9.949 94.236 ( 3.694 9.238 0.000) 9.949 94.454 ( -1.243 -12.424 0.000) 12.486 94.454 ( 1.243 -12.424 0.000) 12.486 ======================= Grid point 49 (17/48) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 0.000 0.000 18.993) 18.993 0.988 ( 0.000 0.000 44.698) 44.698 1.256 ( 0.000 0.000 59.049) 59.049 1.441 ( 0.000 0.000 -9.734) 9.734 2.526 ( 0.000 0.000 10.586) 10.586 2.852 ( 0.000 0.000 -12.587) 12.587 3.011 ( 0.000 0.000 4.228) 4.228 3.117 ( 0.000 0.000 10.346) 10.346 3.181 ( 0.000 0.000 -5.020) 5.020 3.337 ( 0.000 0.000 1.994) 1.994 3.495 ( 0.000 0.000 1.125) 1.125 3.608 ( 0.000 0.000 -7.824) 7.824 3.819 ( 0.000 0.000 10.634) 10.634 3.837 ( 0.000 0.000 -3.119) 3.119 3.838 ( 0.000 0.000 -3.017) 3.017 3.901 ( 0.000 0.000 9.978) 9.978 3.905 ( 0.000 0.000 0.933) 0.933 4.065 ( 0.000 0.000 -3.267) 3.267 4.202 ( 0.000 0.000 3.990) 3.990 4.207 ( 0.000 0.000 -1.947) 1.947 4.268 ( 0.000 0.000 1.275) 1.275 4.350 ( 0.000 0.000 -1.084) 1.084 4.538 ( 0.000 0.000 -5.078) 5.078 4.575 ( 0.000 0.000 -1.276) 1.276 4.577 ( 0.000 0.000 -7.915) 7.915 4.629 ( 0.000 0.000 3.449) 3.449 4.715 ( 0.000 0.000 -7.153) 7.153 4.772 ( 0.000 0.000 -1.954) 1.954 4.851 ( 0.000 0.000 -8.313) 8.313 4.872 ( 0.000 0.000 8.684) 8.684 4.956 ( 0.000 0.000 -13.091) 13.091 5.165 ( 0.000 0.000 7.584) 7.584 5.174 ( 0.000 0.000 -0.649) 0.649 5.265 ( 0.000 0.000 2.169) 2.169 5.353 ( 0.000 0.000 1.073) 1.073 5.356 ( 0.000 0.000 -4.302) 4.302 5.410 ( 0.000 0.000 4.111) 4.111 5.626 ( 0.000 0.000 6.621) 6.621 5.727 ( 0.000 0.000 2.142) 2.142 5.739 ( 0.000 0.000 2.249) 2.249 5.805 ( 0.000 0.000 -9.060) 9.060 5.810 ( 0.000 0.000 -3.008) 3.008 5.878 ( 0.000 0.000 -3.151) 3.151 5.896 ( 0.000 0.000 -17.850) 17.850 5.978 ( 0.000 0.000 -1.282) 1.282 5.979 ( 0.000 0.000 1.492) 1.492 6.083 ( 0.000 0.000 6.391) 6.391 6.181 ( 0.000 0.000 -4.352) 4.352 6.358 ( 0.000 0.000 -0.158) 0.158 6.403 ( 0.000 0.000 0.337) 0.337 6.423 ( 0.000 0.000 -0.626) 0.626 6.470 ( 0.000 0.000 -5.687) 5.687 6.569 ( 0.000 0.000 -1.683) 1.683 6.596 ( 0.000 0.000 -1.568) 1.568 6.826 ( 0.000 0.000 -0.919) 0.919 6.854 ( 0.000 0.000 -0.195) 0.195 6.865 ( 0.000 0.000 2.736) 2.736 6.921 ( 0.000 0.000 1.246) 1.246 6.923 ( 0.000 0.000 -0.751) 0.751 6.998 ( 0.000 0.000 -0.658) 0.658 7.008 ( 0.000 0.000 -8.393) 8.393 7.008 ( 0.000 0.000 -0.402) 0.402 7.367 ( 0.000 0.000 8.921) 8.921 7.480 ( 0.000 0.000 4.515) 4.515 7.555 ( 0.000 0.000 8.683) 8.683 7.644 ( 0.000 0.000 3.326) 3.326 7.935 ( 0.000 0.000 -4.766) 4.766 7.958 ( 0.000 0.000 -12.449) 12.449 8.101 ( 0.000 0.000 2.764) 2.764 8.449 ( 0.000 0.000 -6.705) 6.705 8.711 ( 0.000 0.000 5.648) 5.648 8.977 ( 0.000 0.000 -2.073) 2.073 10.338 ( 0.000 0.000 4.739) 4.739 10.525 ( 0.000 0.000 -2.666) 2.666 10.537 ( 0.000 0.000 -1.440) 1.440 10.713 ( 0.000 0.000 -4.342) 4.342 11.029 ( 0.000 0.000 -0.146) 0.146 11.050 ( 0.000 0.000 -0.756) 0.756 11.208 ( 0.000 0.000 0.583) 0.583 11.218 ( 0.000 0.000 0.909) 0.909 11.323 ( 0.000 0.000 2.329) 2.329 11.382 ( 0.000 0.000 1.001) 1.001 11.421 ( 0.000 0.000 1.814) 1.814 11.544 ( 0.000 0.000 -1.034) 1.034 12.315 ( 0.000 0.000 -4.721) 4.721 12.363 ( 0.000 0.000 -5.292) 5.292 12.975 ( 0.000 0.000 7.653) 7.653 13.221 ( 0.000 0.000 0.984) 0.984 13.719 ( 0.000 0.000 2.199) 2.199 13.790 ( 0.000 0.000 -0.151) 0.151 13.840 ( 0.000 0.000 0.673) 0.673 13.934 ( 0.000 0.000 -0.789) 0.789 15.286 ( 0.000 0.000 1.802) 1.802 15.448 ( 0.000 0.000 -2.984) 2.984 15.594 ( 0.000 0.000 -0.070) 0.070 15.595 ( 0.000 0.000 -0.161) 0.161 15.699 ( 0.000 0.000 0.397) 0.397 15.723 ( 0.000 0.000 -0.067) 0.067 16.068 ( 0.000 0.000 8.488) 8.488 16.116 ( 0.000 0.000 6.111) 6.111 17.921 ( 0.000 0.000 -2.783) 2.783 17.983 ( 0.000 0.000 -2.708) 2.708 18.116 ( 0.000 0.000 4.912) 4.912 18.160 ( 0.000 0.000 2.362) 2.362 18.852 ( 0.000 0.000 -0.115) 0.115 18.952 ( 0.000 0.000 -2.094) 2.094 19.082 ( 0.000 0.000 -1.392) 1.392 19.144 ( 0.000 0.000 -2.377) 2.377 19.928 ( 0.000 0.000 0.145) 0.145 19.946 ( 0.000 0.000 -0.245) 0.245 20.355 ( 0.000 0.000 0.105) 0.105 20.361 ( 0.000 0.000 -0.032) 0.032 20.544 ( 0.000 0.000 0.274) 0.274 20.567 ( 0.000 0.000 -0.232) 0.232 21.321 ( 0.000 0.000 -0.001) 0.001 21.324 ( 0.000 0.000 -0.059) 0.059 21.796 ( 0.000 0.000 0.157) 0.157 21.802 ( 0.000 0.000 -0.012) 0.012 21.802 ( 0.000 0.000 0.056) 0.056 21.806 ( 0.000 0.000 -0.003) 0.003 25.235 ( 0.000 0.000 -1.165) 1.165 25.267 ( 0.000 0.000 -2.755) 2.755 25.497 ( 0.000 0.000 -0.214) 0.214 25.606 ( 0.000 0.000 -1.912) 1.912 25.785 ( 0.000 0.000 0.121) 0.121 25.792 ( 0.000 0.000 -0.025) 0.025 26.068 ( 0.000 0.000 0.473) 0.473 26.114 ( 0.000 0.000 -0.545) 0.545 27.197 ( 0.000 0.000 -0.022) 0.022 27.204 ( 0.000 0.000 -0.131) 0.131 27.440 ( 0.000 0.000 3.143) 3.143 27.607 ( 0.000 0.000 -0.381) 0.381 28.027 ( 0.000 0.000 -1.347) 1.347 28.032 ( 0.000 0.000 -1.594) 1.594 28.133 ( 0.000 0.000 1.590) 1.590 28.144 ( 0.000 0.000 1.197) 1.197 28.495 ( 0.000 0.000 1.169) 1.169 28.801 ( 0.000 0.000 -8.779) 8.779 28.833 ( 0.000 0.000 4.169) 4.169 29.157 ( 0.000 0.000 1.344) 1.344 29.545 ( 0.000 0.000 3.506) 3.506 29.916 ( 0.000 0.000 -3.239) 3.239 30.659 ( 0.000 0.000 4.315) 4.315 30.849 ( 0.000 0.000 -0.262) 0.262 30.978 ( 0.000 0.000 0.083) 0.083 30.979 ( 0.000 0.000 0.741) 0.741 31.731 ( 0.000 0.000 -1.561) 1.561 31.789 ( 0.000 0.000 -3.144) 3.144 34.266 ( 0.000 0.000 4.909) 4.909 34.679 ( 0.000 0.000 -4.968) 4.968 34.943 ( 0.000 0.000 10.300) 10.300 35.834 ( 0.000 0.000 -10.398) 10.398 36.179 ( 0.000 0.000 0.685) 0.685 36.204 ( 0.000 0.000 0.174) 0.174 37.112 ( 0.000 0.000 0.066) 0.066 37.174 ( 0.000 0.000 -1.284) 1.284 38.166 ( 0.000 0.000 4.398) 4.398 38.488 ( 0.000 0.000 -2.628) 2.628 39.277 ( 0.000 0.000 4.307) 4.307 39.609 ( 0.000 0.000 -2.961) 2.961 40.030 ( 0.000 0.000 5.532) 5.532 40.228 ( 0.000 0.000 6.060) 6.060 40.981 ( 0.000 0.000 -6.098) 6.098 41.504 ( 0.000 0.000 -13.930) 13.930 42.674 ( 0.000 0.000 5.016) 5.016 42.794 ( 0.000 0.000 5.926) 5.926 42.970 ( 0.000 0.000 3.635) 3.635 42.972 ( 0.000 0.000 -0.900) 0.900 43.661 ( 0.000 0.000 0.218) 0.218 43.852 ( 0.000 0.000 -3.586) 3.586 44.289 ( 0.000 0.000 3.594) 3.594 44.690 ( 0.000 0.000 -4.844) 4.844 90.274 ( 0.000 0.000 0.119) 0.119 90.308 ( 0.000 0.000 -0.973) 0.973 90.361 ( 0.000 0.000 0.989) 0.989 90.387 ( 0.000 0.000 0.077) 0.077 93.789 ( 0.000 0.000 3.286) 3.286 94.251 ( 0.000 0.000 -10.080) 10.080 94.950 ( 0.000 0.000 13.183) 13.183 95.675 ( 0.000 0.000 -5.972) 5.972 ======================= Grid point 50 (18/48) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 22.971 0.000 12.433) 26.120 1.072 ( 26.141 0.000 32.284) 41.540 1.551 ( 11.121 0.000 -9.305) 14.500 1.997 ( 52.006 0.000 39.793) 65.484 2.569 ( 3.628 0.000 8.837) 9.553 2.836 ( -17.092 0.000 2.983) 17.350 2.919 ( 4.438 0.000 -3.691) 5.772 3.007 ( -16.587 0.000 -0.932) 16.613 3.170 ( 9.711 0.000 0.313) 9.716 3.361 ( 0.386 0.000 9.643) 9.651 3.504 ( -7.291 0.000 -4.207) 8.418 3.544 ( 6.997 0.000 -7.810) 10.486 3.733 ( -4.057 0.000 -5.827) 7.101 3.843 ( 0.038 0.000 2.928) 2.928 3.900 ( -4.906 0.000 0.017) 4.906 3.971 ( 3.504 0.000 3.797) 5.167 3.990 ( 9.005 0.000 -1.480) 9.126 4.092 ( 5.346 0.000 -6.921) 8.745 4.097 ( -4.791 0.000 -5.331) 7.167 4.217 ( 2.033 0.000 2.544) 3.257 4.306 ( -10.384 0.000 -0.753) 10.411 4.393 ( 6.783 0.000 -0.878) 6.840 4.493 ( 5.666 0.000 4.853) 7.460 4.586 ( 0.561 0.000 2.815) 2.871 4.605 ( 0.979 0.000 1.560) 1.842 4.743 ( -3.186 0.000 3.664) 4.855 4.756 ( 1.238 0.000 -11.195) 11.263 4.796 ( 14.262 0.000 -7.866) 16.287 4.798 ( -1.074 0.000 -3.005) 3.191 4.947 ( 2.893 0.000 2.535) 3.846 5.006 ( 4.271 0.000 -16.499) 17.043 5.079 ( -8.336 0.000 0.270) 8.340 5.219 ( 1.467 0.000 3.195) 3.516 5.273 ( -2.487 0.000 0.732) 2.592 5.351 ( 4.276 0.000 3.330) 5.420 5.390 ( 3.015 0.000 -2.696) 4.045 5.413 ( 4.143 0.000 2.815) 5.009 5.644 ( 1.607 0.000 4.018) 4.327 5.753 ( 2.596 0.000 0.282) 2.611 5.756 ( -3.892 0.000 1.149) 4.058 5.794 ( -6.099 0.000 3.289) 6.929 5.802 ( 4.849 0.000 2.984) 5.694 5.882 ( -1.377 0.000 0.672) 1.532 5.956 ( 2.590 0.000 -1.452) 2.969 5.972 ( 0.777 0.000 -4.416) 4.484 6.018 ( 1.477 0.000 -2.572) 2.966 6.049 ( 11.301 0.000 -12.909) 17.157 6.163 ( -1.978 0.000 -4.151) 4.598 6.224 ( -7.790 0.000 1.111) 7.869 6.417 ( -0.602 0.000 1.052) 1.212 6.454 ( 6.247 0.000 -1.103) 6.343 6.564 ( -2.568 0.000 -1.082) 2.787 6.595 ( 3.857 0.000 3.182) 5.000 6.685 ( 1.661 0.000 -5.484) 5.730 6.751 ( -7.022 0.000 -0.058) 7.022 6.830 ( -3.933 0.000 -1.334) 4.153 6.898 ( 2.185 0.000 2.681) 3.459 6.913 ( 0.026 0.000 -0.245) 0.246 6.920 ( 2.024 0.000 1.663) 2.620 6.991 ( 0.724 0.000 0.909) 1.162 7.013 ( 1.472 0.000 -0.736) 1.646 7.048 ( 2.911 0.000 -1.015) 3.083 7.250 ( -8.654 0.000 4.493) 9.751 7.449 ( -3.933 0.000 3.351) 5.167 7.567 ( 2.112 0.000 2.648) 3.387 7.646 ( -0.449 0.000 1.468) 1.535 7.897 ( -0.973 0.000 -8.450) 8.506 8.017 ( 4.355 0.000 -5.648) 7.132 8.140 ( 4.133 0.000 2.557) 4.860 8.456 ( 0.438 0.000 -5.898) 5.914 8.701 ( -0.805 0.000 5.018) 5.082 8.946 ( -3.138 0.000 -1.960) 3.700 10.266 ( -3.038 0.000 2.501) 3.935 10.511 ( -0.814 0.000 -1.345) 1.572 10.558 ( 0.139 0.000 -2.354) 2.358 10.689 ( -2.969 0.000 -4.652) 5.519 11.057 ( 2.988 0.000 -0.115) 2.990 11.086 ( 3.635 0.000 -0.905) 3.746 11.217 ( 0.354 0.000 1.471) 1.513 11.225 ( 0.288 0.000 0.923) 0.966 11.329 ( 0.398 0.000 2.172) 2.208 11.366 ( -1.000 0.000 2.408) 2.607 11.400 ( -2.180 0.000 1.793) 2.822 11.515 ( -3.067 0.000 -0.909) 3.199 12.289 ( -1.430 0.000 -4.177) 4.415 12.394 ( 1.618 0.000 -6.337) 6.541 12.890 ( -8.434 0.000 5.973) 10.335 12.986 ( -17.951 0.000 8.628) 19.917 13.793 ( 7.305 0.000 2.107) 7.603 13.846 ( 6.194 0.000 -0.718) 6.235 13.914 ( 6.942 0.000 1.311) 7.065 13.989 ( 5.775 0.000 -0.327) 5.784 15.261 ( -2.228 0.000 2.405) 3.279 15.429 ( -2.618 0.000 -1.828) 3.193 15.594 ( 0.032 0.000 -0.076) 0.082 15.595 ( 0.014 0.000 -0.151) 0.151 15.701 ( 0.207 0.000 0.365) 0.419 15.722 ( -0.125 0.000 -0.037) 0.130 15.959 ( -11.426 0.000 8.587) 14.293 16.009 ( -10.759 0.000 5.818) 12.232 17.959 ( 3.293 0.000 -2.490) 4.128 18.011 ( 2.862 0.000 -2.017) 3.501 18.138 ( 1.172 0.000 3.556) 3.744 18.168 ( 0.331 0.000 2.705) 2.726 18.850 ( -0.037 0.000 -0.659) 0.660 18.940 ( -1.093 0.000 -2.160) 2.421 19.051 ( -3.006 0.000 -1.477) 3.349 19.105 ( -3.897 0.000 -2.291) 4.520 19.928 ( -0.044 0.000 0.126) 0.133 19.943 ( -0.294 0.000 -0.211) 0.361 20.357 ( 0.211 0.000 0.081) 0.226 20.363 ( 0.101 0.000 -0.031) 0.106 20.553 ( 0.857 0.000 0.246) 0.891 20.573 ( 0.562 0.000 -0.201) 0.597 21.311 ( -0.946 0.000 -0.005) 0.946 21.314 ( -0.983 0.000 -0.055) 0.984 21.787 ( -0.728 0.000 0.158) 0.745 21.795 ( -0.594 0.000 0.009) 0.594 21.799 ( -0.564 0.000 -0.066) 0.568 21.801 ( -0.491 0.000 -0.051) 0.493 25.215 ( -1.958 0.000 -1.101) 2.247 25.241 ( -2.089 0.000 -2.097) 2.960 25.394 ( -9.305 0.000 6.884) 11.575 25.480 ( -4.888 0.000 0.713) 4.939 25.788 ( 0.304 0.000 0.117) 0.326 25.794 ( 0.200 0.000 -0.005) 0.200 26.070 ( 0.218 0.000 0.400) 0.455 26.110 ( -0.423 0.000 -0.484) 0.643 27.243 ( 4.488 0.000 -0.055) 4.488 27.283 ( 4.731 0.000 -1.991) 5.133 27.421 ( -1.629 0.000 3.097) 3.499 27.585 ( -2.156 0.000 -0.422) 2.197 28.028 ( 0.122 0.000 -1.380) 1.385 28.034 ( 0.209 0.000 -1.687) 1.700 28.131 ( -0.239 0.000 1.652) 1.669 28.140 ( -0.368 0.000 1.269) 1.322 28.473 ( 1.960 0.000 3.447) 3.965 28.788 ( -0.141 0.000 -1.576) 1.582 28.943 ( 8.028 0.000 -5.195) 9.563 29.265 ( 5.095 0.000 -9.382) 10.676 29.552 ( 1.319 0.000 5.754) 5.903 29.944 ( 2.960 0.000 -2.875) 4.126 30.313 ( -20.419 0.000 18.944) 27.854 30.745 ( -10.555 0.000 -0.690) 10.578 31.026 ( 6.252 0.000 1.426) 6.413 31.155 ( 11.799 0.000 -2.498) 12.061 31.689 ( -3.695 0.000 0.839) 3.789 31.780 ( -1.828 0.000 -2.268) 2.913 34.307 ( 4.262 0.000 4.342) 6.084 34.700 ( -1.296 0.000 -3.822) 4.036 35.399 ( 27.781 0.000 -20.398) 34.465 35.850 ( 1.436 0.000 -10.516) 10.614 36.181 ( 0.170 0.000 0.650) 0.672 36.202 ( -0.170 0.000 0.207) 0.268 37.115 ( 0.303 0.000 -0.019) 0.304 37.169 ( -0.576 0.000 -1.185) 1.318 38.188 ( 2.286 0.000 3.717) 4.364 38.464 ( -2.499 0.000 -2.256) 3.367 38.900 ( -19.328 0.000 20.044) 27.845 39.266 ( -10.059 0.000 1.799) 10.218 40.318 ( 8.894 0.000 6.926) 11.273 40.796 ( 16.239 0.000 -16.509) 23.157 41.183 ( 25.804 0.000 -21.447) 33.554 41.570 ( 6.593 0.000 -14.697) 16.108 42.727 ( 4.346 0.000 1.702) 4.667 42.811 ( 1.534 0.000 5.223) 5.444 42.948 ( -0.378 0.000 2.043) 2.078 43.021 ( 3.390 0.000 -0.008) 3.390 43.643 ( -1.828 0.000 0.918) 2.046 43.852 ( -0.674 0.000 -2.655) 2.739 44.170 ( -12.512 0.000 10.256) 16.178 44.435 ( -15.319 0.000 7.181) 16.919 90.278 ( 0.429 0.000 0.085) 0.437 90.310 ( 0.195 0.000 -0.996) 1.015 90.359 ( -0.199 0.000 1.019) 1.039 90.384 ( -0.314 0.000 0.095) 0.328 93.812 ( 2.409 0.000 2.909) 3.777 94.196 ( -5.112 0.000 -7.204) 8.833 94.929 ( 0.265 0.000 13.781) 13.783 95.494 ( -11.906 0.000 2.144) 12.098 ======================= Grid point 51 (19/48) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 29.372 0.000 7.350) 30.278 1.745 ( 39.844 0.000 14.218) 42.305 1.818 ( 15.575 0.000 -8.513) 17.750 2.359 ( -26.465 0.000 3.848) 26.744 2.573 ( -15.238 0.000 0.155) 15.239 2.822 ( 5.276 0.000 7.036) 8.795 2.876 ( 4.680 0.000 12.340) 13.198 2.914 ( 22.189 0.000 17.628) 28.339 3.299 ( -13.845 0.000 2.692) 14.105 3.319 ( 6.389 0.000 -6.253) 8.940 3.495 ( 10.810 0.000 -7.012) 12.886 3.701 ( 8.789 0.000 -1.198) 8.870 3.718 ( 1.381 0.000 -9.746) 9.844 3.811 ( -3.721 0.000 -7.628) 8.488 3.828 ( 1.265 0.000 -4.352) 4.532 3.938 ( -3.978 0.000 -8.285) 9.191 4.038 ( -1.367 0.000 3.806) 4.044 4.164 ( 8.404 0.000 -0.333) 8.410 4.169 ( 3.657 0.000 -3.481) 5.049 4.248 ( 0.072 0.000 -0.856) 0.859 4.265 ( 2.189 0.000 0.627) 2.277 4.417 ( -2.134 0.000 -2.146) 3.027 4.474 ( -5.841 0.000 2.911) 6.526 4.561 ( -1.112 0.000 6.467) 6.562 4.622 ( -4.056 0.000 2.216) 4.622 4.732 ( -0.324 0.000 -0.676) 0.750 4.744 ( -3.981 0.000 -3.314) 5.179 4.825 ( 1.835 0.000 -1.920) 2.656 4.954 ( 0.847 0.000 2.888) 3.010 4.982 ( -1.572 0.000 -14.165) 14.252 4.996 ( 2.858 0.000 6.763) 7.342 5.076 ( 7.827 0.000 -8.681) 11.688 5.180 ( -4.857 0.000 3.256) 5.847 5.219 ( 2.085 0.000 1.919) 2.834 5.372 ( -4.431 0.000 1.006) 4.543 5.484 ( -6.137 0.000 9.686) 11.466 5.611 ( 9.214 0.000 -3.073) 9.712 5.629 ( 9.192 0.000 3.572) 9.862 5.653 ( 3.183 0.000 -2.042) 3.782 5.791 ( 0.810 0.000 -0.954) 1.251 5.836 ( 7.015 0.000 6.783) 9.759 5.851 ( 1.913 0.000 4.387) 4.786 5.923 ( -2.602 0.000 -6.000) 6.540 5.979 ( 6.788 0.000 0.174) 6.791 6.067 ( 6.411 0.000 -3.948) 7.529 6.083 ( 0.334 0.000 -0.629) 0.712 6.126 ( -1.455 0.000 1.352) 1.987 6.130 ( 2.041 0.000 -1.495) 2.530 6.241 ( 4.276 0.000 0.623) 4.321 6.352 ( -13.562 0.000 -4.373) 14.250 6.402 ( -0.755 0.000 2.432) 2.547 6.521 ( -2.147 0.000 -1.039) 2.385 6.601 ( -7.432 0.000 1.347) 7.554 6.625 ( 1.291 0.000 -4.269) 4.460 6.712 ( -7.754 0.000 -1.057) 7.826 6.818 ( 13.279 0.000 1.246) 13.337 6.922 ( -3.177 0.000 7.006) 7.693 6.938 ( 2.437 0.000 2.138) 3.241 6.968 ( 1.670 0.000 1.106) 2.003 7.022 ( 2.458 0.000 -2.893) 3.797 7.053 ( 2.495 0.000 -1.125) 2.737 7.081 ( -6.131 0.000 -0.299) 6.138 7.089 ( 1.212 0.000 -1.011) 1.578 7.370 ( -5.219 0.000 -2.691) 5.872 7.616 ( 1.537 0.000 -1.286) 2.005 7.663 ( 2.602 0.000 4.048) 4.812 7.905 ( 2.587 0.000 -9.106) 9.466 8.076 ( 0.500 0.000 -7.330) 7.347 8.245 ( 6.591 0.000 1.859) 6.849 8.445 ( -2.206 0.000 -2.771) 3.542 8.702 ( 1.593 0.000 2.302) 2.800 8.866 ( -5.189 0.000 -1.559) 5.418 10.275 ( 3.966 0.000 -1.761) 4.339 10.491 ( -1.424 0.000 0.477) 1.502 10.542 ( -1.518 0.000 -0.939) 1.785 10.595 ( -6.835 0.000 -4.048) 7.944 11.134 ( 4.802 0.000 -0.155) 4.805 11.174 ( 5.277 0.000 -1.449) 5.472 11.207 ( -1.101 0.000 1.871) 2.171 11.217 ( -1.186 0.000 1.198) 1.686 11.337 ( 0.829 0.000 2.785) 2.906 11.344 ( -3.411 0.000 1.916) 3.912 11.363 ( 0.254 0.000 2.347) 2.361 11.434 ( -5.322 0.000 -0.480) 5.344 12.284 ( 1.553 0.000 -3.014) 3.391 12.420 ( 1.113 0.000 -5.254) 5.371 12.662 ( -14.014 0.000 5.429) 15.029 12.713 ( -10.147 0.000 2.168) 10.376 13.966 ( 10.044 0.000 1.452) 10.148 14.000 ( 8.964 0.000 -0.800) 9.000 14.061 ( 7.258 0.000 1.405) 7.392 14.109 ( 5.262 0.000 -0.391) 5.277 15.235 ( 0.797 0.000 4.289) 4.363 15.376 ( -1.608 0.000 0.633) 1.728 15.595 ( 0.042 0.000 -0.089) 0.099 15.595 ( 0.005 0.000 -0.129) 0.129 15.677 ( -16.759 0.000 9.084) 19.062 15.706 ( 0.330 0.000 0.278) 0.431 15.718 ( -0.248 0.000 0.046) 0.252 15.748 ( -15.654 0.000 5.067) 16.454 18.031 ( 4.088 0.000 -0.377) 4.105 18.075 ( 3.531 0.000 -0.382) 3.551 18.142 ( -0.890 0.000 3.042) 3.169 18.164 ( -0.696 0.000 2.049) 2.164 18.862 ( 1.622 0.000 -1.483) 2.197 18.922 ( -0.486 0.000 -2.277) 2.329 18.984 ( -3.655 0.000 -1.766) 4.059 19.013 ( -5.318 0.000 -2.168) 5.743 19.928 ( 0.050 0.000 0.069) 0.086 19.936 ( -0.378 0.000 -0.124) 0.398 20.362 ( 0.209 0.000 0.033) 0.211 20.364 ( 0.068 0.000 -0.024) 0.072 20.572 ( 1.050 0.000 0.157) 1.062 20.584 ( 0.478 0.000 -0.111) 0.491 21.291 ( -0.974 0.000 -0.015) 0.974 21.293 ( -1.038 0.000 -0.044) 1.039 21.775 ( -0.525 0.000 0.071) 0.529 21.780 ( -0.760 0.000 -0.065) 0.763 21.788 ( -0.453 0.000 -0.074) 0.459 21.790 ( -0.522 0.000 -0.056) 0.525 25.180 ( -1.154 0.000 -0.672) 1.335 25.211 ( -1.333 0.000 -1.791) 2.232 25.285 ( -2.415 0.000 3.759) 4.468 25.384 ( -5.215 0.000 0.071) 5.215 25.795 ( 0.337 0.000 0.106) 0.353 25.798 ( 0.173 0.000 0.041) 0.178 26.076 ( 0.463 0.000 0.203) 0.505 26.100 ( -0.675 0.000 -0.310) 0.743 27.326 ( 3.106 0.000 0.689) 3.182 27.366 ( 4.723 0.000 -0.180) 4.726 27.393 ( -0.994 0.000 2.590) 2.774 27.534 ( -3.229 0.000 -0.340) 3.247 28.032 ( 0.267 0.000 -1.532) 1.555 28.038 ( 0.101 0.000 -1.830) 1.832 28.126 ( -0.191 0.000 1.765) 1.775 28.132 ( -0.452 0.000 1.468) 1.536 28.566 ( 6.683 0.000 0.743) 6.724 28.769 ( -2.473 0.000 -1.386) 2.835 29.102 ( 8.179 0.000 -7.484) 11.086 29.290 ( -1.512 0.000 -11.248) 11.349 29.611 ( 5.120 0.000 9.116) 10.455 29.945 ( -9.369 0.000 9.832) 13.581 30.098 ( 3.205 0.000 4.539) 5.556 30.505 ( -13.860 0.000 -1.010) 13.896 31.192 ( 10.524 0.000 2.068) 10.725 31.367 ( 9.683 0.000 -2.726) 10.059 31.595 ( -5.740 0.000 2.805) 6.389 31.717 ( -4.962 0.000 -1.277) 5.123 34.414 ( 6.719 0.000 2.866) 7.304 34.645 ( -4.310 0.000 -1.379) 4.525 35.736 ( 10.264 0.000 -17.898) 20.632 35.872 ( 0.467 0.000 -11.096) 11.106 36.185 ( 0.295 0.000 0.554) 0.628 36.198 ( -0.294 0.000 0.299) 0.419 37.123 ( 0.617 0.000 -0.253) 0.667 37.154 ( -0.889 0.000 -0.924) 1.282 38.246 ( 3.710 0.000 2.252) 4.340 38.401 ( -3.986 0.000 -1.181) 4.157 38.757 ( 0.871 0.000 9.977) 10.015 39.059 ( -11.546 0.000 0.093) 11.546 40.525 ( 12.097 0.000 7.026) 13.989 40.858 ( -2.908 0.000 -1.528) 3.285 41.552 ( 12.158 0.000 -19.892) 23.313 41.694 ( 4.396 0.000 -16.106) 16.695 42.794 ( 2.517 0.000 1.301) 2.833 42.833 ( 0.371 0.000 3.636) 3.654 42.968 ( 2.696 0.000 2.454) 3.646 43.075 ( 1.071 0.000 -1.095) 1.532 43.604 ( -1.467 0.000 4.345) 4.585 43.761 ( -8.610 0.000 8.301) 11.960 44.021 ( -0.011 0.000 4.247) 4.247 44.229 ( -8.661 0.000 2.153) 8.925 90.289 ( 0.719 0.000 -0.044) 0.720 90.312 ( -0.159 0.000 -0.838) 0.853 90.357 ( 0.111 0.000 0.886) 0.893 90.375 ( -0.560 0.000 0.184) 0.589 93.877 ( 4.435 0.000 1.703) 4.751 94.086 ( -6.167 0.000 -3.255) 6.973 94.991 ( 5.861 0.000 7.896) 9.833 95.298 ( -9.536 0.000 1.856) 9.715 ======================= Grid point 52 (20/48) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -29.006 0.000 2.137) 29.085 1.722 ( 29.006 0.000 2.137) 29.085 2.234 ( -17.202 0.000 -1.491) 17.267 2.234 ( 17.202 0.000 -1.491) 17.267 2.446 ( -32.737 0.000 10.446) 34.363 2.446 ( 32.737 0.000 10.446) 34.363 3.030 ( -13.898 0.000 5.750) 15.041 3.030 ( 13.898 0.000 5.750) 15.041 3.329 ( -9.039 0.000 -1.813) 9.219 3.329 ( 9.039 0.000 -1.813) 9.219 3.697 ( -11.719 0.000 -7.672) 14.007 3.697 ( 11.719 0.000 -7.672) 14.007 3.755 ( -2.430 0.000 -10.089) 10.377 3.755 ( 2.430 0.000 -10.089) 10.377 3.903 ( -2.477 0.000 -4.061) 4.757 3.903 ( 2.477 0.000 -4.061) 4.757 4.143 ( -9.497 0.000 2.314) 9.775 4.143 ( 9.497 0.000 2.314) 9.775 4.227 ( -1.983 0.000 -2.022) 2.832 4.227 ( 1.983 0.000 -2.022) 2.832 4.343 ( -5.702 0.000 0.211) 5.706 4.343 ( 5.702 0.000 0.211) 5.706 4.520 ( -14.000 0.000 3.167) 14.354 4.520 ( 14.000 0.000 3.167) 14.354 4.558 ( -1.508 0.000 3.908) 4.189 4.558 ( 1.508 0.000 3.908) 4.189 4.754 ( -3.647 0.000 -0.449) 3.674 4.754 ( 3.647 0.000 -0.449) 3.674 5.036 ( -2.281 0.000 5.626) 6.071 5.036 ( 2.281 0.000 5.626) 6.071 5.041 ( -7.053 0.000 -1.749) 7.267 5.041 ( 7.053 0.000 -1.749) 7.267 5.216 ( -9.970 0.000 2.552) 10.291 5.216 ( 9.970 0.000 2.552) 10.291 5.334 ( -6.564 0.000 -0.455) 6.580 5.334 ( 6.564 0.000 -0.455) 6.580 5.697 ( -4.393 0.000 -2.662) 5.136 5.697 ( 4.393 0.000 -2.662) 5.136 5.840 ( -3.919 0.000 -6.329) 7.444 5.840 ( 3.919 0.000 -6.329) 7.444 5.870 ( -7.594 0.000 4.671) 8.915 5.870 ( 7.594 0.000 4.671) 8.915 5.952 ( -5.430 0.000 0.937) 5.510 5.952 ( 5.430 0.000 0.937) 5.510 6.116 ( -5.419 0.000 -1.854) 5.728 6.116 ( 5.419 0.000 -1.854) 5.728 6.148 ( -3.724 0.000 2.251) 4.351 6.148 ( 3.724 0.000 2.251) 4.351 6.224 ( -4.828 0.000 6.480) 8.080 6.224 ( 4.828 0.000 6.480) 8.080 6.429 ( -4.982 0.000 -0.131) 4.984 6.429 ( 4.982 0.000 -0.131) 4.984 6.584 ( -4.564 0.000 0.503) 4.592 6.584 ( 4.564 0.000 0.503) 4.592 6.752 ( -10.769 0.000 -8.298) 13.595 6.752 ( 10.769 0.000 -8.298) 13.595 6.974 ( -0.970 0.000 1.358) 1.669 6.974 ( 0.970 0.000 1.358) 1.669 6.975 ( -4.566 0.000 1.239) 4.731 6.975 ( 4.566 0.000 1.239) 4.731 7.090 ( -1.087 0.000 -1.065) 1.522 7.090 ( 1.087 0.000 -1.065) 1.522 7.214 ( -11.456 0.000 -2.216) 11.669 7.214 ( 11.456 0.000 -2.216) 11.669 7.657 ( -2.637 0.000 2.819) 3.860 7.657 ( 2.637 0.000 2.819) 3.860 8.012 ( -6.703 0.000 -9.275) 11.444 8.012 ( 6.703 0.000 -9.275) 11.444 8.367 ( -5.837 0.000 0.427) 5.853 8.367 ( 5.837 0.000 0.427) 5.853 8.767 ( -4.891 0.000 -0.488) 4.915 8.767 ( 4.891 0.000 -0.488) 4.915 10.401 ( -8.312 0.000 -1.766) 8.498 10.401 ( 8.312 0.000 -1.766) 8.498 10.518 ( -0.509 0.000 -0.546) 0.746 10.518 ( 0.509 0.000 -0.546) 0.746 11.197 ( -0.404 0.000 1.579) 1.630 11.197 ( 0.404 0.000 1.579) 1.630 11.218 ( -2.937 0.000 -1.077) 3.128 11.218 ( 2.937 0.000 -1.077) 3.128 11.332 ( -4.335 0.000 0.985) 4.445 11.332 ( 4.335 0.000 0.985) 4.445 11.357 ( -0.910 0.000 2.505) 2.666 11.357 ( 0.910 0.000 2.506) 2.666 12.365 ( -6.655 0.000 -1.425) 6.806 12.365 ( 6.655 0.000 -1.425) 6.806 12.566 ( -4.370 0.000 -0.498) 4.398 12.566 ( 4.370 0.000 -0.498) 4.398 14.108 ( -2.288 0.000 0.719) 2.399 14.108 ( 2.288 0.000 0.719) 2.399 14.131 ( -2.413 0.000 -0.391) 2.445 14.131 ( 2.413 0.000 -0.391) 2.445 15.331 ( -8.078 0.000 5.379) 9.705 15.331 ( 8.078 0.000 5.379) 9.705 15.506 ( -6.207 0.000 5.363) 8.203 15.506 ( 6.207 0.000 5.363) 8.203 15.595 ( -0.023 0.000 -0.107) 0.109 15.595 ( 0.023 0.000 -0.107) 0.109 15.713 ( -0.334 0.000 0.161) 0.371 15.713 ( 0.334 0.000 0.161) 0.371 18.099 ( -2.734 0.000 2.032) 3.406 18.099 ( 2.734 0.000 2.032) 3.406 18.137 ( -2.063 0.000 0.715) 2.183 18.137 ( 2.063 0.000 0.715) 2.183 18.914 ( -3.396 0.000 -2.149) 4.019 18.914 ( 3.396 0.000 -2.149) 4.019 18.937 ( -1.578 0.000 -1.968) 2.522 18.937 ( 1.578 0.000 -1.968) 2.522 19.930 ( -0.247 0.000 -0.020) 0.247 19.930 ( 0.247 0.000 -0.020) 0.247 20.364 ( -0.069 0.000 -0.005) 0.069 20.364 ( 0.069 0.000 -0.005) 0.069 20.586 ( -0.347 0.000 0.023) 0.348 20.586 ( 0.347 0.000 0.023) 0.348 21.281 ( -0.038 0.000 -0.029) 0.048 21.281 ( 0.038 0.000 -0.029) 0.048 21.771 ( -0.176 0.000 -0.007) 0.176 21.771 ( 0.176 0.000 -0.007) 0.176 21.784 ( -0.068 0.000 -0.082) 0.106 21.784 ( 0.068 0.000 -0.082) 0.106 25.182 ( -1.251 0.000 -0.849) 1.512 25.182 ( 1.251 0.000 -0.849) 1.512 25.300 ( -3.287 0.000 0.642) 3.349 25.300 ( 3.287 0.000 0.642) 3.349 25.799 ( -0.089 0.000 0.083) 0.122 25.799 ( 0.089 0.000 0.083) 0.122 26.087 ( -0.665 0.000 -0.060) 0.668 26.087 ( 0.665 0.000 -0.060) 0.668 27.365 ( -1.489 0.000 2.054) 2.537 27.365 ( 1.489 0.000 2.054) 2.537 27.463 ( -4.458 0.000 -0.237) 4.464 27.463 ( 4.458 0.000 -0.237) 4.464 28.037 ( -0.178 0.000 -1.766) 1.775 28.037 ( 0.178 0.000 -1.766) 1.775 28.126 ( -0.180 0.000 1.705) 1.715 28.126 ( 0.180 0.000 1.705) 1.715 28.689 ( -5.818 0.000 -0.933) 5.892 28.689 ( 5.818 0.000 -0.933) 5.892 29.228 ( -5.022 0.000 -9.671) 10.898 29.228 ( 5.022 0.000 -9.671) 10.898 29.747 ( -9.364 0.000 11.812) 15.074 29.747 ( 9.364 0.000 11.812) 15.074 30.260 ( -11.571 0.000 -0.614) 11.587 30.260 ( 11.571 0.000 -0.614) 11.587 31.382 ( -8.408 0.000 0.728) 8.439 31.382 ( 8.408 0.000 0.728) 8.439 31.600 ( -6.717 0.000 0.226) 6.721 31.600 ( 6.717 0.000 0.226) 6.721 34.542 ( -6.485 0.000 0.842) 6.539 34.542 ( 6.485 0.000 0.842) 6.539 35.852 ( -3.069 0.000 -12.998) 13.355 35.852 ( 3.069 0.000 -12.998) 13.355 36.191 ( -0.340 0.000 0.425) 0.545 36.191 ( 0.340 0.000 0.425) 0.545 37.137 ( -0.865 0.000 -0.582) 1.042 37.137 ( 0.865 0.000 -0.582) 1.042 38.322 ( -4.276 0.000 0.461) 4.301 38.322 ( 4.276 0.000 0.461) 4.301 38.860 ( -8.947 0.000 2.641) 9.329 38.860 ( 8.947 0.000 2.641) 9.329 40.736 ( -9.587 0.000 4.334) 10.521 40.736 ( 9.587 0.000 4.334) 10.521 41.698 ( -3.887 0.000 -15.813) 16.284 41.698 ( 3.887 0.000 -15.813) 16.284 42.825 ( -1.010 0.000 2.567) 2.759 42.825 ( 1.010 0.000 2.567) 2.759 43.039 ( -4.039 0.000 1.633) 4.356 43.039 ( 4.039 0.000 1.633) 4.356 43.630 ( -4.524 0.000 7.508) 8.765 43.630 ( 4.524 0.000 7.508) 8.765 44.090 ( -5.985 0.000 0.285) 5.992 44.090 ( 5.985 0.000 0.285) 5.992 90.303 ( -0.684 0.000 -0.354) 0.770 90.303 ( 0.684 0.000 -0.354) 0.770 90.364 ( -0.564 0.000 0.445) 0.718 90.364 ( 0.564 0.000 0.445) 0.718 93.973 ( -5.715 0.000 -0.322) 5.724 93.973 ( 5.715 0.000 -0.322) 5.724 95.128 ( -8.423 0.000 3.319) 9.054 95.128 ( 8.423 0.000 3.319) 9.054 ======================= Grid point 56 (21/48) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.000 27.686 18.959) 33.555 1.154 ( 0.000 15.674 35.752) 39.037 1.451 ( 0.000 25.525 41.981) 49.132 1.814 ( 0.000 31.909 -8.879) 33.121 2.587 ( 0.000 5.684 8.781) 10.460 2.795 ( 0.000 -5.045 -11.140) 12.229 2.992 ( 0.000 -17.131 2.075) 17.256 3.062 ( 0.000 1.227 6.626) 6.739 3.174 ( 0.000 8.684 7.882) 11.728 3.314 ( 0.000 -2.152 -3.341) 3.974 3.433 ( 0.000 -1.708 -2.169) 2.761 3.607 ( 0.000 -3.291 0.690) 3.363 3.764 ( 0.000 -4.899 10.291) 11.398 3.844 ( 0.000 0.323 -2.819) 2.837 3.849 ( 0.000 -1.015 -2.208) 2.430 3.932 ( 0.000 1.660 0.167) 1.669 3.965 ( 0.000 4.961 3.337) 5.979 4.110 ( 0.000 3.803 -2.188) 4.387 4.183 ( 0.000 -5.529 1.290) 5.677 4.190 ( 0.000 -0.549 -1.221) 1.339 4.254 ( 0.000 3.462 1.204) 3.666 4.359 ( 0.000 -0.499 -2.189) 2.245 4.524 ( 0.000 0.613 -3.560) 3.612 4.539 ( 0.000 -0.651 2.196) 2.291 4.650 ( 0.000 1.951 3.638) 4.128 4.675 ( 0.000 2.781 -9.380) 9.784 4.714 ( 0.000 -7.286 -9.822) 12.230 4.727 ( 0.000 6.359 -3.691) 7.352 4.822 ( 0.000 2.712 -0.108) 2.715 4.930 ( 0.000 3.309 3.835) 5.065 5.064 ( 0.000 6.231 -9.676) 11.509 5.179 ( 0.000 1.381 6.890) 7.028 5.204 ( 0.000 0.659 -2.720) 2.799 5.230 ( 0.000 -2.747 1.361) 3.066 5.393 ( 0.000 3.529 -1.352) 3.779 5.405 ( 0.000 4.321 -2.695) 5.093 5.415 ( 0.000 0.403 4.095) 4.115 5.583 ( 0.000 -3.995 5.533) 6.824 5.667 ( 0.000 -5.041 0.709) 5.090 5.705 ( 0.000 -2.344 -1.605) 2.841 5.766 ( 0.000 -1.790 -1.884) 2.599 5.810 ( 0.000 -1.291 -6.698) 6.821 5.906 ( 0.000 -4.142 -0.223) 4.148 5.965 ( 0.000 5.058 -5.551) 7.510 5.989 ( 0.000 6.917 -3.277) 7.654 6.005 ( 0.000 5.515 -0.747) 5.565 6.165 ( 0.000 2.494 1.532) 2.927 6.208 ( 0.000 -1.592 -4.102) 4.400 6.304 ( 0.000 -0.442 -2.300) 2.343 6.343 ( 0.000 -0.103 3.861) 3.862 6.413 ( 0.000 -2.960 -7.180) 7.766 6.504 ( 0.000 4.306 0.765) 4.374 6.519 ( 0.000 -4.270 -0.159) 4.273 6.706 ( 0.000 -5.618 0.694) 5.661 6.749 ( 0.000 11.085 -1.621) 11.203 6.803 ( 0.000 -2.903 -3.501) 4.548 6.914 ( 0.000 3.945 0.242) 3.952 6.937 ( 0.000 3.078 0.365) 3.100 6.972 ( 0.000 -2.759 0.099) 2.761 6.992 ( 0.000 7.253 2.178) 7.573 7.021 ( 0.000 2.540 0.700) 2.635 7.065 ( 0.000 0.761 -5.480) 5.533 7.432 ( 0.000 3.371 10.133) 10.679 7.458 ( 0.000 -2.490 4.260) 4.934 7.535 ( 0.000 -2.404 6.190) 6.640 7.652 ( 0.000 1.909 -0.245) 1.924 7.817 ( 0.000 -4.921 -1.906) 5.277 7.884 ( 0.000 -4.938 -4.644) 6.778 8.360 ( 0.000 7.757 -19.688) 21.161 8.365 ( 0.000 -8.293 -6.390) 10.469 8.637 ( 0.000 -7.069 5.965) 9.249 8.920 ( 0.000 -5.873 -2.379) 6.337 10.318 ( 0.000 -0.914 4.061) 4.162 10.513 ( 0.000 -1.118 -2.621) 2.849 10.541 ( 0.000 0.433 -1.351) 1.418 10.697 ( 0.000 -1.514 -4.353) 4.609 11.030 ( 0.000 0.066 -0.086) 0.109 11.047 ( 0.000 -0.224 -0.539) 0.584 11.211 ( 0.000 0.327 0.372) 0.495 11.218 ( 0.000 -0.037 0.734) 0.735 11.317 ( 0.000 -0.562 2.361) 2.427 11.363 ( 0.000 -1.386 2.235) 2.629 11.434 ( 0.000 1.227 1.749) 2.136 11.542 ( 0.000 -0.280 -0.777) 0.826 12.314 ( 0.000 0.021 -4.569) 4.569 12.362 ( 0.000 -0.181 -5.263) 5.267 12.977 ( 0.000 0.191 7.614) 7.616 13.101 ( 0.000 -7.027 9.952) 12.183 13.722 ( 0.000 0.295 2.027) 2.048 13.785 ( 0.000 -0.422 -0.138) 0.444 13.844 ( 0.000 0.349 0.658) 0.745 13.922 ( 0.000 -0.797 -0.175) 0.816 15.293 ( 0.000 0.715 1.645) 1.793 15.437 ( 0.000 -1.067 -2.686) 2.890 15.607 ( 0.000 1.081 0.156) 1.092 15.629 ( 0.000 2.355 0.323) 2.377 15.702 ( 0.000 0.044 -0.295) 0.298 15.730 ( 0.000 0.576 0.020) 0.576 16.073 ( 0.000 0.487 8.079) 8.094 16.117 ( 0.000 0.132 5.878) 5.879 17.924 ( 0.000 0.236 -2.855) 2.865 17.978 ( 0.000 -0.420 -2.782) 2.814 18.119 ( 0.000 0.232 4.879) 4.884 18.153 ( 0.000 -0.421 3.025) 3.054 18.861 ( 0.000 0.918 -0.201) 0.940 18.953 ( 0.000 0.030 -1.995) 1.995 19.089 ( 0.000 0.733 -1.437) 1.613 19.145 ( 0.000 0.115 -2.263) 2.266 19.956 ( 0.000 2.707 0.150) 2.711 19.975 ( 0.000 2.781 -0.255) 2.793 20.371 ( 0.000 0.257 0.002) 0.257 20.388 ( 0.000 -0.646 -0.869) 1.083 20.593 ( 0.000 3.078 -0.041) 3.078 20.697 ( 0.000 11.933 -8.998) 14.945 21.296 ( 0.000 -2.636 0.115) 2.639 21.304 ( 0.000 -1.976 -0.121) 1.980 21.796 ( 0.000 0.035 0.155) 0.159 21.801 ( 0.000 -0.027 0.131) 0.134 21.802 ( 0.000 0.017 0.061) 0.064 21.806 ( 0.000 -0.058 -0.002) 0.058 25.225 ( 0.000 -0.984 -1.150) 1.514 25.255 ( 0.000 -1.234 -2.306) 2.616 25.441 ( 0.000 -10.075 7.711) 12.688 25.470 ( 0.000 -2.518 -0.269) 2.532 25.791 ( 0.000 0.646 0.181) 0.671 25.803 ( 0.000 1.030 -0.242) 1.058 26.046 ( 0.000 -2.062 0.513) 2.125 26.094 ( 0.000 -2.000 -0.589) 2.085 27.196 ( 0.000 -0.042 -0.029) 0.051 27.203 ( 0.000 -0.040 -0.139) 0.144 27.454 ( 0.000 1.372 3.021) 3.318 27.605 ( 0.000 -0.252 -0.246) 0.352 28.041 ( 0.000 1.184 -0.963) 1.526 28.049 ( 0.000 0.946 -1.015) 1.388 28.170 ( 0.000 2.567 0.676) 2.655 28.239 ( 0.000 7.549 -6.127) 9.723 28.514 ( 0.000 1.555 -0.551) 1.650 28.792 ( 0.000 -0.987 -8.214) 8.273 28.844 ( 0.000 1.135 3.567) 3.743 29.136 ( 0.000 -2.059 0.633) 2.155 29.551 ( 0.000 0.673 3.661) 3.723 29.892 ( 0.000 -2.332 -2.901) 3.722 30.282 ( 0.000 -22.880 23.318) 32.668 30.750 ( 0.000 -9.673 -0.594) 9.691 30.972 ( 0.000 -0.469 0.188) 0.505 30.974 ( 0.000 -0.419 0.599) 0.731 31.695 ( 0.000 -1.824 -0.744) 1.969 31.755 ( 0.000 -2.879 -2.934) 4.110 34.293 ( 0.000 2.610 4.998) 5.639 34.707 ( 0.000 2.397 -4.490) 5.090 34.917 ( 0.000 -2.058 9.279) 9.505 35.744 ( 0.000 -7.388 -9.100) 11.722 36.272 ( 0.000 8.705 0.854) 8.746 36.535 ( 0.000 20.893 -18.179) 27.695 37.108 ( 0.000 -0.571 -0.143) 0.589 37.175 ( 0.000 -0.030 -1.748) 1.749 38.193 ( 0.000 2.669 5.169) 5.817 38.535 ( 0.000 4.537 -2.505) 5.182 39.248 ( 0.000 -2.951 3.701) 4.733 39.264 ( 0.000 -25.006 20.323) 32.223 40.034 ( 0.000 0.393 5.563) 5.577 40.213 ( 0.000 -1.399 5.974) 6.135 40.977 ( 0.000 0.732 -5.043) 5.096 41.471 ( 0.000 -3.288 -13.568) 13.961 42.675 ( 0.000 0.097 5.298) 5.299 42.784 ( 0.000 -1.002 6.269) 6.349 42.960 ( 0.000 -0.893 3.595) 3.704 42.965 ( 0.000 -0.694 0.029) 0.694 43.668 ( 0.000 0.763 -0.171) 0.782 43.817 ( 0.000 -3.329 -3.223) 4.633 44.025 ( 0.000 -34.754 28.878) 45.186 44.221 ( 0.000 -6.392 2.189) 6.756 90.288 ( 0.000 1.093 0.314) 1.138 90.319 ( 0.000 0.960 -0.839) 1.275 90.374 ( 0.000 1.195 0.950) 1.526 90.475 ( 0.000 4.888 -5.627) 7.453 93.824 ( 0.000 3.435 2.996) 4.558 94.248 ( 0.000 -0.270 -9.437) 9.441 94.872 ( 0.000 -7.386 11.968) 14.064 95.141 ( 0.000 -31.055 21.030) 37.506 ======================= Grid point 57 (22/48) ======================= q-point: ( 0.17 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 10.922 32.876 12.973) 36.992 1.175 ( 22.905 10.717 27.447) 37.321 1.876 ( 10.293 27.487 -4.440) 29.685 2.127 ( 45.009 14.617 28.562) 55.274 2.636 ( 4.506 6.102 8.092) 11.091 2.815 ( -3.241 -3.867 -3.173) 5.960 2.970 ( -8.767 2.773 3.059) 9.690 2.985 ( -3.399 -4.749 0.144) 5.842 3.138 ( 4.268 -1.680 2.418) 5.186 3.260 ( -5.810 -0.141 5.511) 8.009 3.422 ( 2.679 -5.902 -4.068) 7.652 3.593 ( -0.833 1.295 -2.010) 2.532 3.733 ( -1.581 -2.797 -8.042) 8.660 3.825 ( -6.080 -0.821 3.197) 6.919 3.889 ( 0.899 -1.049 2.977) 3.282 3.971 ( 5.422 -1.147 1.883) 5.853 4.034 ( 2.163 1.366 -1.118) 2.792 4.069 ( -3.346 -1.791 -5.238) 6.468 4.128 ( 0.453 2.243 -4.730) 5.254 4.182 ( 0.136 -0.118 -2.768) 2.774 4.335 ( 2.998 -0.422 1.198) 3.256 4.357 ( -1.786 0.853 2.707) 3.353 4.482 ( 5.077 -3.896 0.087) 6.401 4.589 ( -0.295 0.693 2.928) 3.024 4.608 ( -0.487 1.441 -0.313) 1.553 4.656 ( -2.395 -2.028 0.003) 3.139 4.804 ( 6.554 -0.281 -6.498) 9.233 4.839 ( 6.146 3.697 -2.962) 7.760 4.879 ( 0.425 -0.507 -6.058) 6.094 4.930 ( 3.936 8.832 -2.257) 9.929 5.088 ( -5.755 -1.264 -1.923) 6.198 5.119 ( -1.107 4.743 -3.170) 5.812 5.195 ( 0.706 1.479 -0.885) 1.862 5.264 ( 6.200 0.596 4.195) 7.509 5.398 ( 5.696 0.041 2.166) 6.095 5.426 ( 2.474 3.156 -1.458) 4.267 5.445 ( -1.505 5.429 2.215) 6.053 5.618 ( 4.878 -1.769 3.012) 6.000 5.737 ( 2.557 -1.787 0.872) 3.238 5.761 ( 1.066 -1.725 0.190) 2.037 5.769 ( -3.195 1.565 -1.181) 3.748 5.800 ( 4.860 -1.420 3.263) 6.024 5.850 ( 0.448 -5.854 -4.026) 7.119 5.961 ( -3.000 3.019 1.115) 4.399 6.008 ( 3.166 1.846 -2.838) 4.636 6.058 ( 3.373 1.923 -4.928) 6.274 6.091 ( -3.860 7.077 -2.284) 8.379 6.170 ( -1.291 1.112 -3.249) 3.669 6.253 ( -1.298 2.999 -3.617) 4.875 6.364 ( 4.823 -4.473 2.662) 7.096 6.491 ( -2.804 -0.053 -1.190) 3.046 6.538 ( 4.103 -1.490 0.308) 4.376 6.579 ( 2.767 -2.528 -2.191) 4.341 6.711 ( -0.423 -3.417 -0.046) 3.443 6.737 ( -0.219 6.341 -0.596) 6.372 6.771 ( -4.825 1.955 -0.692) 5.252 6.893 ( -3.041 1.516 -2.017) 3.952 6.938 ( 0.566 1.896 2.873) 3.488 6.970 ( 4.090 3.938 -0.153) 5.680 7.010 ( 0.653 0.329 -0.974) 1.217 7.021 ( 1.800 0.505 -0.770) 2.023 7.126 ( 3.181 4.455 -1.826) 5.770 7.271 ( -8.412 0.440 4.608) 9.601 7.502 ( -2.270 2.118 2.421) 3.937 7.544 ( 0.623 -1.372 5.122) 5.339 7.650 ( -0.616 1.211 -0.049) 1.360 7.822 ( 1.075 -4.851 -3.630) 6.153 7.907 ( 2.605 -5.738 -1.948) 6.596 8.288 ( -4.069 4.567 -10.339) 12.012 8.371 ( 0.511 -8.015 -6.115) 10.094 8.628 ( -0.725 -7.009 5.315) 8.826 8.876 ( -3.956 -6.980 -1.360) 8.138 10.275 ( -2.029 0.992 1.408) 2.662 10.503 ( -0.901 -0.879 -1.721) 2.132 10.554 ( 0.259 -0.121 -1.707) 1.731 10.675 ( -2.659 -1.307 -4.405) 5.308 11.059 ( 3.032 0.159 -0.053) 3.037 11.085 ( 3.736 -0.061 -0.810) 3.823 11.219 ( 0.361 0.245 1.215) 1.291 11.224 ( 0.266 -0.074 0.702) 0.755 11.317 ( 0.037 -0.987 2.138) 2.355 11.354 ( -0.655 -1.040 2.568) 2.847 11.414 ( -2.107 1.233 1.815) 3.042 11.513 ( -3.026 -0.226 -0.637) 3.100 12.293 ( -1.253 0.434 -4.213) 4.417 12.384 ( 1.467 -0.886 -5.691) 5.943 12.889 ( -8.773 -0.087 6.028) 10.645 12.941 ( -14.165 -3.169 9.383) 17.284 13.794 ( 7.261 0.133 1.900) 7.507 13.843 ( 6.258 -0.279 -0.617) 6.295 13.915 ( 6.823 0.188 1.220) 6.934 13.982 ( 5.992 -0.576 -0.265) 6.026 15.268 ( -2.282 0.649 2.213) 3.244 15.413 ( -2.551 -1.325 -1.562) 3.271 15.606 ( -0.035 1.036 0.196) 1.054 15.622 ( -0.560 2.171 0.395) 2.277 15.702 ( 0.050 -0.034 0.038) 0.071 15.728 ( -0.205 0.502 0.048) 0.544 15.960 ( -11.551 0.195 8.190) 14.161 16.004 ( -11.195 -0.244 5.932) 12.671 17.960 ( 3.333 0.129 -2.384) 4.100 18.008 ( 2.966 -0.280 -2.124) 3.658 18.135 ( 1.053 -0.149 4.031) 4.169 18.161 ( 0.516 -0.438 2.926) 3.003 18.858 ( -0.129 0.846 -0.601) 1.046 18.941 ( -1.054 0.073 -2.060) 2.315 19.058 ( -3.072 0.672 -1.520) 3.492 19.106 ( -3.872 0.150 -2.244) 4.478 19.958 ( 0.144 2.874 0.053) 2.879 19.972 ( -0.214 2.863 -0.217) 2.879 20.374 ( 0.226 0.379 -0.002) 0.441 20.387 ( -0.078 0.029 -0.608) 0.613 20.596 ( 0.330 2.835 -0.048) 2.854 20.646 ( -3.280 9.024 -3.411) 10.189 21.284 ( -1.061 -2.753 0.142) 2.953 21.292 ( -1.138 -2.135 -0.105) 2.421 21.788 ( -0.708 0.065 0.153) 0.727 21.795 ( -0.627 0.020 0.022) 0.627 21.799 ( -0.564 -0.014 -0.044) 0.566 21.799 ( -0.470 -0.109 0.060) 0.487 25.205 ( -1.905 -0.940 -0.965) 2.333 25.231 ( -1.865 -1.052 -1.574) 2.657 25.346 ( -5.991 -3.759 6.577) 9.658 25.443 ( -3.447 -2.933 0.035) 4.526 25.795 ( 0.370 0.710 0.188) 0.822 25.804 ( 0.195 1.059 -0.126) 1.084 26.049 ( 0.298 -1.981 0.433) 2.050 26.094 ( -0.216 -1.707 -0.714) 1.863 27.239 ( 4.340 -0.308 0.094) 4.352 27.271 ( 4.861 -0.871 -0.951) 5.029 27.434 ( -1.742 1.270 2.892) 3.607 27.582 ( -2.251 -0.355 -0.283) 2.296 28.044 ( 0.310 1.340 -1.021) 1.713 28.053 ( 0.384 1.211 -1.153) 1.716 28.164 ( -0.611 2.367 0.779) 2.566 28.206 ( -3.020 6.257 -2.496) 7.383 28.496 ( 2.133 2.205 2.726) 4.104 28.792 ( 0.150 0.421 -1.868) 1.921 28.927 ( 7.408 -1.546 -4.003) 8.561 29.239 ( 5.023 -2.734 -8.974) 10.641 29.560 ( 1.475 0.966 5.403) 5.684 29.920 ( 2.866 -2.345 -2.519) 4.479 30.148 ( -10.726 -12.489 20.672) 26.427 30.654 ( -9.567 -8.794 -0.916) 13.027 31.022 ( 6.436 -0.276 1.280) 6.568 31.121 ( 11.780 -2.455 -1.216) 12.094 31.667 ( -3.092 -1.528 0.297) 3.462 31.746 ( -1.492 -2.907 -2.238) 3.960 34.336 ( 4.455 2.817 4.397) 6.864 34.735 ( -0.808 3.518 -4.323) 5.632 35.194 ( 22.442 -13.696 -4.304) 26.642 35.752 ( 0.645 -7.982 -8.983) 12.034 36.275 ( 0.385 8.686 0.618) 8.717 36.477 ( -5.018 17.983 -12.133) 22.266 37.106 ( -0.101 -1.061 0.009) 1.065 37.165 ( -0.994 -0.458 -1.577) 1.920 38.214 ( 2.170 2.517 4.368) 5.488 38.508 ( -2.780 4.274 -2.172) 5.542 38.843 ( -15.417 -5.448 20.062) 25.881 39.221 ( -8.276 -4.174 1.563) 9.400 40.309 ( 9.591 -0.841 6.765) 11.768 40.705 ( 31.479 -10.576 -15.666) 36.718 41.061 ( 13.185 -5.879 -5.020) 15.284 41.521 ( 4.897 -4.313 -13.103) 14.638 42.719 ( 3.874 -0.594 2.957) 4.910 42.801 ( 1.587 -0.987 5.580) 5.885 42.940 ( -0.632 -0.788 2.338) 2.547 42.999 ( 2.216 -2.062 1.573) 3.412 43.649 ( -2.093 0.616 0.406) 2.219 43.784 ( -4.277 -8.075 4.530) 10.199 43.956 ( -3.824 -17.826 16.863) 24.834 44.194 ( -3.418 -9.557 2.400) 10.429 90.292 ( 0.401 1.141 0.257) 1.237 90.322 ( 0.326 1.064 -0.888) 1.423 90.371 ( -0.267 1.116 0.975) 1.506 90.444 ( -2.394 4.069 -2.753) 5.465 93.846 ( 2.358 3.411 2.742) 4.972 94.201 ( -4.378 0.578 -6.793) 8.102 94.855 ( 0.532 -6.945 12.281) 14.119 95.168 ( 0.220 -23.754 9.762) 25.682 ======================= Grid point 58 (23/48) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 22.503 24.431 7.386) 34.026 1.769 ( 35.317 4.697 11.141) 37.329 2.097 ( 13.190 23.299 -4.702) 27.183 2.479 ( -23.102 10.902 3.235) 25.749 2.653 ( -10.361 6.207 -0.053) 12.078 2.842 ( 9.283 2.466 5.484) 11.061 2.887 ( -8.467 -0.119 11.060) 13.930 2.941 ( 22.881 3.421 13.798) 26.937 3.249 ( 5.639 -3.832 -1.055) 6.899 3.333 ( -4.463 0.592 4.560) 6.407 3.427 ( 14.295 -4.005 -8.907) 17.313 3.577 ( -2.338 -5.416 -4.750) 7.574 3.671 ( -8.852 -5.711 -3.607) 11.135 3.768 ( 3.956 -2.476 -12.088) 12.957 3.916 ( 2.786 0.750 -3.685) 4.680 3.968 ( 3.181 1.084 0.928) 3.486 3.988 ( -5.760 -2.119 0.853) 6.196 4.124 ( 4.187 -5.628 -2.864) 7.577 4.164 ( 2.993 -1.871 -3.428) 4.920 4.220 ( 3.303 2.875 0.235) 4.386 4.332 ( 0.264 1.077 4.473) 4.608 4.399 ( -0.165 -0.290 -0.371) 0.499 4.500 ( -10.719 1.837 -1.306) 10.953 4.517 ( -1.631 -5.832 3.248) 6.872 4.590 ( -3.143 -0.084 3.280) 4.544 4.700 ( 4.241 -1.554 2.954) 5.397 4.790 ( 0.045 -0.349 -6.697) 6.706 4.860 ( 2.399 5.422 0.902) 5.997 4.925 ( -5.878 0.368 -5.090) 7.784 4.994 ( 2.815 4.272 -4.423) 6.763 5.037 ( 4.933 -2.895 0.272) 5.726 5.129 ( -0.363 6.937 -2.144) 7.269 5.243 ( 3.656 9.354 1.774) 10.199 5.314 ( -10.260 -0.209 6.803) 12.312 5.368 ( 4.399 5.751 -0.463) 7.255 5.507 ( 3.447 1.625 1.637) 4.147 5.624 ( -0.165 2.434 1.923) 3.106 5.650 ( 12.860 1.704 -0.588) 12.985 5.704 ( 0.384 1.994 0.017) 2.031 5.788 ( 1.406 -0.335 -2.170) 2.607 5.803 ( 5.008 -2.494 4.276) 7.041 5.880 ( 1.931 1.774 4.060) 4.833 5.913 ( 2.871 -3.236 -4.518) 6.255 5.981 ( 4.503 -0.461 0.308) 4.537 6.042 ( -0.674 4.158 -1.728) 4.553 6.072 ( 4.978 0.764 -2.184) 5.489 6.101 ( 1.941 -1.036 1.106) 2.463 6.207 ( 1.900 2.113 0.869) 2.972 6.245 ( -0.194 0.397 -1.643) 1.701 6.343 ( -9.748 0.227 -2.989) 10.198 6.424 ( -0.703 1.638 2.448) 3.028 6.551 ( -5.584 0.485 -3.005) 6.360 6.608 ( -1.056 -1.492 -4.948) 5.275 6.642 ( 0.645 4.696 3.707) 6.017 6.705 ( -3.881 -1.242 -1.397) 4.308 6.814 ( 8.464 2.021 0.030) 8.702 6.850 ( 0.204 -0.866 2.209) 2.382 6.973 ( 0.581 -2.289 0.470) 2.407 7.032 ( 0.559 3.464 -1.495) 3.814 7.046 ( 5.481 1.730 -1.824) 6.030 7.071 ( 3.062 1.606 -1.257) 3.678 7.128 ( -5.628 7.437 2.008) 9.540 7.147 ( -1.569 3.632 0.576) 3.998 7.404 ( -6.996 3.798 -1.379) 8.079 7.589 ( 3.621 -6.198 1.961) 7.441 7.630 ( -1.048 -0.014 0.477) 1.152 7.856 ( 2.878 -3.952 -6.673) 8.272 7.967 ( 2.354 -7.382 -2.303) 8.083 8.266 ( 1.283 -1.371 -3.871) 4.302 8.371 ( -1.212 -7.170 -3.263) 7.970 8.628 ( 1.339 -7.267 2.648) 7.849 8.787 ( -5.357 -7.772 -1.008) 9.493 10.288 ( 3.675 1.180 -1.790) 4.254 10.483 ( -1.139 -0.781 0.283) 1.410 10.540 ( -1.662 -0.157 -0.703) 1.811 10.587 ( -6.559 -0.697 -3.624) 7.526 11.136 ( 4.807 0.248 -0.131) 4.815 11.172 ( 4.928 -0.161 -1.303) 5.100 11.209 ( -1.024 0.177 1.564) 1.878 11.219 ( -0.956 0.191 0.885) 1.317 11.321 ( 0.432 -1.091 2.040) 2.354 11.346 ( -0.802 -0.688 2.321) 2.550 11.365 ( -2.115 0.762 2.304) 3.219 11.435 ( -5.061 0.001 -0.202) 5.065 12.291 ( 1.651 0.651 -3.001) 3.486 12.414 ( 1.741 -0.623 -4.977) 5.309 12.651 ( -13.753 -0.895 5.275) 14.757 12.706 ( -10.344 -0.654 2.069) 10.570 13.967 ( 9.999 0.049 1.289) 10.082 13.998 ( 8.999 -0.198 -0.776) 9.035 14.060 ( 7.138 -0.044 1.238) 7.245 14.105 ( 5.380 -0.399 -0.406) 5.410 15.241 ( 0.766 0.539 4.064) 4.171 15.365 ( -1.222 -1.017 0.826) 1.791 15.604 ( -0.904 0.648 1.058) 1.536 15.613 ( -0.349 1.689 0.202) 1.736 15.674 ( -14.022 -0.302 6.682) 15.535 15.700 ( -5.223 -0.546 2.412) 5.779 15.724 ( -0.659 0.445 0.111) 0.803 15.747 ( -11.967 0.119 3.919) 12.593 18.033 ( 4.120 0.214 -0.418) 4.147 18.074 ( 3.594 -0.164 -0.448) 3.626 18.140 ( -0.747 -0.129 3.162) 3.252 18.162 ( -0.573 -0.217 2.076) 2.165 18.869 ( 1.521 0.656 -1.408) 2.173 18.924 ( -0.425 0.177 -2.190) 2.238 18.990 ( -3.734 0.526 -1.792) 4.175 19.015 ( -5.304 0.203 -2.157) 5.729 19.960 ( 0.111 3.125 -0.001) 3.127 19.968 ( -0.279 3.037 -0.130) 3.053 20.378 ( 0.251 0.654 -0.016) 0.700 20.385 ( -0.117 0.781 -0.229) 0.823 20.603 ( 0.335 2.429 -0.040) 2.452 20.610 ( -0.690 4.546 -0.435) 4.619 21.263 ( -0.993 -2.842 0.066) 3.011 21.268 ( -1.225 -2.486 -0.061) 2.772 21.775 ( -0.528 0.079 0.070) 0.539 21.781 ( -0.740 0.010 -0.044) 0.742 21.788 ( -0.464 -0.031 -0.040) 0.466 21.789 ( -0.499 -0.072 0.006) 0.504 25.173 ( -0.990 -0.666 -0.600) 1.335 25.206 ( -1.125 -0.505 -1.750) 2.140 25.265 ( -2.124 -1.768 3.095) 4.149 25.360 ( -4.828 -2.224 -0.088) 5.316 25.803 ( 0.412 0.842 0.158) 0.951 25.808 ( 0.154 1.059 -0.013) 1.070 26.058 ( 0.578 -1.803 0.212) 1.905 26.085 ( -0.717 -1.529 -0.460) 1.750 27.322 ( 3.470 -0.293 0.797) 3.573 27.362 ( 5.112 -0.430 -0.175) 5.133 27.402 ( -1.529 0.867 2.506) 3.061 27.529 ( -3.297 -0.506 -0.211) 3.342 28.052 ( 0.563 1.814 -1.274) 2.287 28.061 ( 0.354 1.927 -1.569) 2.509 28.150 ( -0.837 1.870 1.144) 2.347 28.158 ( -1.694 2.887 0.812) 3.445 28.590 ( 6.567 2.381 0.519) 7.005 28.779 ( -2.042 1.086 -1.274) 2.640 29.081 ( 8.087 -2.155 -6.779) 10.770 29.265 ( -1.364 -2.634 -10.726) 11.129 29.616 ( 4.554 0.712 8.156) 9.368 29.905 ( -8.826 -3.476 11.548) 14.944 30.050 ( 5.228 -4.200 2.171) 7.049 30.434 ( -12.681 -6.733 -1.101) 14.399 31.190 ( 10.550 -0.159 1.879) 10.717 31.343 ( 10.654 -2.201 -2.086) 11.078 31.578 ( -6.042 -1.392 2.152) 6.563 31.688 ( -4.810 -2.629 -1.300) 5.634 34.447 ( 6.992 3.303 2.805) 8.225 34.684 ( -4.291 3.890 -1.659) 6.025 35.535 ( 13.042 -15.319 -9.802) 22.380 35.754 ( -0.896 -9.613 -8.905) 13.134 36.289 ( 1.158 8.952 -0.167) 9.028 36.385 ( -4.252 13.258 -5.246) 14.878 37.107 ( 0.347 -1.702 -0.197) 1.748 37.142 ( -1.324 -1.329 -1.145) 2.198 38.271 ( 3.789 2.431 2.609) 5.203 38.438 ( -4.433 3.593 -1.113) 5.814 38.731 ( 1.352 -2.470 9.617) 10.020 39.030 ( -11.105 -2.847 0.100) 11.465 40.532 ( 12.991 0.764 6.728) 14.650 40.877 ( -2.092 1.781 -2.458) 3.686 41.426 ( 15.866 -12.421 -15.204) 25.242 41.613 ( 3.442 -6.785 -12.513) 14.645 42.784 ( 2.599 -0.879 2.068) 3.436 42.825 ( 0.479 -0.730 3.768) 3.868 42.950 ( 1.957 -1.701 2.876) 3.873 43.033 ( 0.608 -3.949 1.673) 4.331 43.598 ( -2.257 -0.677 4.434) 5.021 43.682 ( -5.132 -6.193 8.944) 12.029 43.942 ( 1.723 -7.045 2.016) 7.528 44.102 ( -5.738 -9.321 0.896) 10.982 90.303 ( 0.751 1.234 0.091) 1.447 90.326 ( -0.055 1.345 -0.801) 1.567 90.368 ( 0.147 0.967 0.831) 1.283 90.405 ( -1.684 2.399 -0.658) 3.004 93.909 ( 4.284 3.259 1.715) 5.649 94.105 ( -5.550 1.904 -3.017) 6.598 94.910 ( 4.802 -7.676 6.972) 11.427 95.122 ( -4.650 -15.392 3.313) 16.417 ======================= Grid point 59 (24/48) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -25.426 17.363 2.238) 30.870 1.917 ( 25.426 17.363 2.238) 30.870 2.358 ( -19.617 8.034 -0.188) 21.199 2.358 ( 19.617 8.034 -0.188) 21.199 2.502 ( -24.222 8.534 8.074) 26.921 2.502 ( 24.222 8.534 8.074) 26.921 3.051 ( -10.867 1.747 4.836) 12.021 3.051 ( 10.867 1.747 4.836) 12.021 3.321 ( -4.727 -0.593 -1.988) 5.162 3.321 ( 4.727 -0.593 -1.988) 5.162 3.530 ( -3.961 -10.202 -4.125) 11.696 3.530 ( 3.961 -10.202 -4.125) 11.696 3.740 ( -8.625 -2.196 -10.736) 13.946 3.740 ( 8.625 -2.196 -10.736) 13.946 3.966 ( -1.855 0.507 -0.452) 1.976 3.966 ( 1.855 0.507 -0.452) 1.976 4.092 ( -7.834 -3.154 1.753) 8.625 4.092 ( 7.834 -3.154 1.753) 8.625 4.228 ( -6.884 -2.506 1.053) 7.401 4.228 ( 6.884 -2.506 1.053) 7.401 4.352 ( -2.219 2.614 -4.462) 5.627 4.352 ( 2.219 2.614 -4.462) 5.627 4.419 ( -6.415 -5.108 1.936) 8.425 4.419 ( 6.415 -5.108 1.936) 8.425 4.627 ( -5.568 0.368 6.639) 8.672 4.627 ( 5.568 0.368 6.639) 8.672 4.841 ( -3.801 6.727 -3.222) 8.371 4.841 ( 3.801 6.727 -3.222) 8.371 4.959 ( -5.441 1.437 -1.037) 5.722 4.959 ( 5.441 1.437 -1.037) 5.722 5.129 ( -6.494 -0.426 3.826) 7.550 5.129 ( 6.494 -0.426 3.826) 7.550 5.209 ( -7.444 7.021 4.252) 11.080 5.209 ( 7.444 7.021 4.252) 11.080 5.453 ( -3.581 6.280 -0.888) 7.283 5.453 ( 3.581 6.280 -0.888) 7.283 5.698 ( -0.378 -1.001 -0.714) 1.286 5.698 ( 0.378 -1.001 -0.714) 1.286 5.824 ( -3.068 -2.050 1.688) 4.058 5.824 ( 3.068 -2.050 1.688) 4.058 5.854 ( -5.059 1.529 -6.404) 8.303 5.854 ( 5.059 1.529 -6.404) 8.303 5.982 ( -4.138 2.305 0.742) 4.795 5.982 ( 4.138 2.305 0.742) 4.795 6.087 ( -10.012 0.347 -1.276) 10.099 6.087 ( 10.012 0.347 -1.276) 10.099 6.187 ( -3.924 -0.683 3.970) 5.623 6.187 ( 3.924 -0.683 3.970) 5.623 6.241 ( -8.516 2.339 2.781) 9.259 6.241 ( 8.516 2.339 2.781) 9.259 6.421 ( -5.045 -1.282 0.554) 5.235 6.421 ( 5.045 -1.282 0.554) 5.235 6.624 ( -1.840 3.691 -1.389) 4.352 6.624 ( 1.840 3.691 -1.389) 4.352 6.762 ( -8.243 1.344 -5.674) 10.097 6.762 ( 8.243 1.344 -5.674) 10.097 6.946 ( -3.369 -1.589 1.209) 3.917 6.946 ( 3.369 -1.589 1.209) 3.917 7.043 ( -2.110 5.214 0.644) 5.661 7.043 ( 2.110 5.214 0.644) 5.661 7.113 ( -1.332 2.098 -0.748) 2.595 7.113 ( 1.332 2.098 -0.748) 2.595 7.240 ( -10.633 2.990 -2.344) 11.291 7.240 ( 10.633 2.990 -2.344) 11.291 7.622 ( -0.308 -3.637 2.545) 4.450 7.622 ( 0.308 -3.637 2.545) 4.450 7.942 ( -4.831 -5.733 -6.952) 10.224 7.942 ( 4.831 -5.733 -6.952) 10.224 8.319 ( -3.698 -5.149 -1.129) 6.439 8.319 ( 3.698 -5.149 -1.129) 6.439 8.688 ( -4.739 -7.736 -0.135) 9.073 8.688 ( 4.739 -7.736 -0.135) 9.073 10.406 ( -7.864 0.452 -1.511) 8.020 10.406 ( 7.864 0.452 -1.511) 8.020 10.511 ( -0.856 -0.686 -0.407) 1.170 10.511 ( 0.856 -0.686 -0.407) 1.170 11.197 ( -0.440 0.073 1.259) 1.335 11.197 ( 0.440 0.073 1.259) 1.335 11.219 ( -2.446 0.148 -1.245) 2.748 11.219 ( 2.446 0.148 -1.245) 2.748 11.330 ( -2.903 -0.218 1.593) 3.319 11.330 ( 2.903 -0.218 1.593) 3.319 11.355 ( -1.719 -0.261 2.046) 2.685 11.355 ( 1.719 -0.261 2.046) 2.685 12.373 ( -6.606 0.764 -1.423) 6.801 12.373 ( 6.606 0.764 -1.423) 6.801 12.552 ( -4.747 -1.276 -0.502) 4.941 12.552 ( 4.747 -1.276 -0.502) 4.941 14.108 ( -2.370 -0.043 0.611) 2.448 14.108 ( 2.370 -0.043 0.611) 2.448 14.129 ( -2.545 -0.267 -0.454) 2.599 14.129 ( 2.545 -0.267 -0.454) 2.599 15.337 ( -7.960 0.541 5.336) 9.598 15.337 ( 7.960 0.541 5.336) 9.598 15.487 ( -6.174 -1.762 5.234) 8.283 15.487 ( 6.174 -1.762 5.234) 8.283 15.611 ( -0.069 1.455 0.034) 1.457 15.611 ( 0.069 1.455 0.034) 1.457 15.717 ( -0.297 0.344 0.155) 0.481 15.717 ( 0.297 0.344 0.155) 0.481 18.100 ( -2.643 0.159 1.942) 3.284 18.100 ( 2.643 0.159 1.942) 3.284 18.136 ( -2.075 -0.168 0.764) 2.217 18.136 ( 2.075 -0.168 0.764) 2.217 18.919 ( -3.424 0.518 -2.093) 4.047 18.919 ( 3.424 0.518 -2.093) 4.047 18.939 ( -1.576 0.212 -1.970) 2.532 18.939 ( 1.576 0.212 -1.970) 2.532 19.963 ( -0.197 3.167 -0.046) 3.174 19.963 ( 0.197 3.167 -0.046) 3.174 20.382 ( -0.165 0.870 -0.064) 0.888 20.382 ( 0.165 0.870 -0.064) 0.888 20.606 ( -0.055 2.637 -0.034) 2.638 20.606 ( 0.055 2.637 -0.034) 2.638 21.254 ( -0.131 -2.763 -0.005) 2.766 21.254 ( 0.131 -2.763 -0.005) 2.766 21.772 ( -0.153 0.055 0.001) 0.162 21.772 ( 0.153 0.055 0.001) 0.162 21.784 ( -0.057 -0.047 -0.038) 0.084 21.784 ( 0.057 -0.047 -0.038) 0.084 25.177 ( -1.333 -0.446 -0.818) 1.626 25.177 ( 1.333 -0.446 -0.818) 1.626 25.281 ( -3.149 -1.780 0.396) 3.639 25.281 ( 3.149 -1.780 0.396) 3.639 25.809 ( -0.150 0.978 0.085) 0.993 25.809 ( 0.150 0.978 0.085) 0.993 26.070 ( -0.772 -1.622 -0.107) 1.800 26.070 ( 0.772 -1.622 -0.107) 1.800 27.369 ( -1.849 0.398 1.921) 2.696 27.369 ( 1.849 0.398 1.921) 2.696 27.457 ( -4.444 -0.552 -0.122) 4.480 27.457 ( 4.444 -0.552 -0.122) 4.480 28.062 ( -0.313 2.337 -1.707) 2.911 28.062 ( 0.313 2.337 -1.707) 2.911 28.141 ( -0.189 1.434 1.513) 2.093 28.141 ( 0.189 1.434 1.513) 2.093 28.708 ( -5.413 1.881 -0.881) 5.798 28.708 ( 5.413 1.881 -0.881) 5.798 29.206 ( -4.938 -2.360 -9.098) 10.617 29.206 ( 4.938 -2.360 -9.098) 10.617 29.735 ( -8.063 -0.876 11.041) 13.700 29.735 ( 8.063 -0.876 11.041) 13.700 30.210 ( -10.725 -4.795 -0.795) 11.775 30.210 ( 10.725 -4.795 -0.795) 11.775 31.380 ( -8.392 -0.127 0.718) 8.423 31.380 ( 8.392 -0.127 0.718) 8.423 31.570 ( -6.953 -2.797 0.107) 7.495 31.570 ( 6.953 -2.797 0.107) 7.495 34.579 ( -6.653 3.741 0.673) 7.662 34.579 ( 6.653 3.741 0.673) 7.662 35.700 ( -5.296 -12.198 -9.308) 16.232 35.700 ( 5.296 -12.198 -9.308) 16.232 36.322 ( -2.488 10.227 -1.825) 10.683 36.322 ( 2.488 10.227 -1.825) 10.683 37.120 ( -0.954 -1.855 -0.646) 2.184 37.120 ( 0.954 -1.855 -0.646) 2.184 38.351 ( -4.634 2.831 0.599) 5.463 38.351 ( 4.634 2.831 0.599) 5.463 38.836 ( -8.797 -2.314 2.600) 9.460 38.836 ( 8.797 -2.314 2.600) 9.460 40.756 ( -10.001 2.054 3.961) 10.951 40.756 ( 10.001 2.054 3.961) 10.951 41.609 ( -4.481 -8.602 -13.192) 16.374 41.609 ( 4.481 -8.602 -13.192) 16.374 42.817 ( -1.098 -0.714 2.832) 3.120 42.817 ( 1.098 -0.714 2.832) 3.120 43.005 ( -3.105 -3.285 2.950) 5.398 43.005 ( 3.105 -3.285 2.950) 5.398 43.604 ( -2.847 -2.006 5.968) 6.911 43.604 ( 2.847 -2.006 5.968) 6.911 44.002 ( -4.472 -7.613 -0.204) 8.831 44.002 ( 4.472 -7.613 -0.204) 8.831 90.318 ( -0.746 1.364 -0.250) 1.575 90.318 ( 0.746 1.364 -0.250) 1.575 90.380 ( -1.036 1.329 0.158) 1.693 90.380 ( 1.036 1.329 0.158) 1.693 94.001 ( -5.360 2.809 -0.179) 6.054 94.001 ( 5.360 2.809 -0.179) 6.054 95.016 ( -6.098 -10.449 3.311) 12.543 95.016 ( 6.098 -10.449 3.311) 12.543 ======================= Grid point 63 (25/48) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 0.000 14.590 30.509) 33.818 1.542 ( 0.000 21.377 21.838) 30.559 2.214 ( 0.000 41.735 13.926) 43.997 2.410 ( 0.000 6.638 -7.083) 9.707 2.643 ( 0.000 -9.025 -7.261) 11.583 2.715 ( 0.000 8.080 6.036) 10.086 2.739 ( 0.000 7.670 3.930) 8.618 3.092 ( 0.000 3.499 10.237) 10.819 3.199 ( 0.000 -7.475 -3.800) 8.386 3.413 ( 0.000 12.994 6.418) 14.492 3.457 ( 0.000 1.545 -1.616) 2.235 3.507 ( 0.000 -5.644 4.639) 7.305 3.647 ( 0.000 -5.961 5.189) 7.903 3.784 ( 0.000 -4.618 -1.294) 4.796 3.845 ( 0.000 -0.110 -0.332) 0.349 3.936 ( 0.000 -1.832 0.683) 1.955 4.036 ( 0.000 1.484 1.747) 2.292 4.057 ( 0.000 -6.237 3.564) 7.184 4.176 ( 0.000 0.253 -1.913) 1.930 4.195 ( 0.000 1.130 -1.981) 2.281 4.307 ( 0.000 -3.979 -5.819) 7.049 4.310 ( 0.000 1.308 -2.633) 2.940 4.538 ( 0.000 -3.482 -10.110) 10.693 4.547 ( 0.000 0.685 2.060) 2.171 4.622 ( 0.000 2.366 -1.359) 2.729 4.694 ( 0.000 2.459 3.660) 4.409 4.772 ( 0.000 6.678 -3.331) 7.462 4.867 ( 0.000 4.044 -7.344) 8.383 4.890 ( 0.000 3.257 -0.184) 3.262 4.972 ( 0.000 2.911 -0.151) 2.915 5.101 ( 0.000 -3.714 -1.048) 3.859 5.170 ( 0.000 -3.299 -3.837) 5.060 5.216 ( 0.000 2.274 7.338) 7.683 5.231 ( 0.000 3.369 -3.705) 5.008 5.412 ( 0.000 -1.023 3.206) 3.365 5.451 ( 0.000 1.143 -1.266) 1.705 5.483 ( 0.000 0.677 1.613) 1.749 5.515 ( 0.000 1.050 0.931) 1.403 5.571 ( 0.000 -3.812 2.432) 4.522 5.665 ( 0.000 -1.483 -2.748) 3.123 5.716 ( 0.000 -3.172 1.205) 3.393 5.780 ( 0.000 -1.147 -3.768) 3.939 5.836 ( 0.000 -2.645 -1.034) 2.840 6.023 ( 0.000 -8.696 2.624) 9.083 6.098 ( 0.000 9.477 -1.776) 9.642 6.117 ( 0.000 -0.867 1.365) 1.617 6.190 ( 0.000 9.451 -3.019) 9.922 6.209 ( 0.000 2.773 -3.769) 4.679 6.326 ( 0.000 6.259 -3.618) 7.230 6.356 ( 0.000 -3.699 -6.425) 7.414 6.436 ( 0.000 -1.467 -0.265) 1.491 6.466 ( 0.000 5.899 1.541) 6.097 6.563 ( 0.000 3.695 -7.653) 8.498 6.752 ( 0.000 6.426 2.863) 7.035 6.782 ( 0.000 1.884 -4.011) 4.432 6.871 ( 0.000 -5.460 0.286) 5.467 6.956 ( 0.000 3.779 -0.205) 3.784 6.985 ( 0.000 1.148 -5.032) 5.161 7.027 ( 0.000 7.858 -1.947) 8.096 7.091 ( 0.000 5.491 -1.985) 5.839 7.140 ( 0.000 8.457 2.241) 8.749 7.143 ( 0.000 6.934 3.540) 7.785 7.385 ( 0.000 -3.950 4.971) 6.349 7.434 ( 0.000 -2.028 10.158) 10.359 7.466 ( 0.000 -4.300 4.839) 6.473 7.726 ( 0.000 3.489 -3.296) 4.800 7.732 ( 0.000 -4.463 -0.141) 4.465 7.759 ( 0.000 -6.731 -4.179) 7.923 8.136 ( 0.000 -13.599 -6.100) 14.904 8.333 ( 0.000 -7.993 -16.791) 18.597 8.462 ( 0.000 -8.953 6.392) 11.000 8.738 ( 0.000 -11.927 -0.876) 11.959 10.326 ( 0.000 1.645 0.818) 1.837 10.481 ( 0.000 -2.117 -2.504) 3.279 10.556 ( 0.000 1.022 -1.741) 2.018 10.659 ( 0.000 -2.142 -4.142) 4.663 11.031 ( 0.000 0.025 0.113) 0.115 11.042 ( 0.000 -0.321 -0.124) 0.344 11.217 ( 0.000 0.046 0.268) 0.272 11.219 ( 0.000 0.349 -0.165) 0.386 11.306 ( 0.000 -0.452 2.619) 2.657 11.337 ( 0.000 -1.205 2.752) 3.004 11.464 ( 0.000 1.611 1.501) 2.202 11.533 ( 0.000 -0.615 -0.126) 0.627 12.319 ( 0.000 0.500 -4.681) 4.708 12.356 ( 0.000 -0.412 -5.164) 5.180 12.982 ( 0.000 0.187 7.575) 7.577 13.013 ( 0.000 -2.239 10.160) 10.403 13.730 ( 0.000 0.553 1.578) 1.672 13.774 ( 0.000 -0.678 0.057) 0.681 13.854 ( 0.000 0.677 0.600) 0.904 13.906 ( 0.000 -0.820 0.004) 0.820 15.314 ( 0.000 1.325 1.126) 1.739 15.410 ( 0.000 -1.543 -1.922) 2.465 15.633 ( 0.000 1.370 0.858) 1.617 15.672 ( 0.000 1.880 0.788) 2.039 15.698 ( 0.000 -0.357 0.518) 0.629 15.740 ( 0.000 0.285 0.182) 0.338 16.087 ( 0.000 0.883 7.131) 7.185 16.120 ( 0.000 0.122 5.514) 5.515 17.931 ( 0.000 0.474 -3.015) 3.052 17.968 ( 0.000 -0.564 -3.043) 3.095 18.125 ( 0.000 0.379 4.753) 4.768 18.146 ( 0.000 -0.293 3.535) 3.547 18.886 ( 0.000 1.494 -0.446) 1.559 18.951 ( 0.000 -0.241 -1.697) 1.714 19.109 ( 0.000 1.116 -1.548) 1.908 19.147 ( 0.000 0.029 -2.097) 2.097 20.031 ( 0.000 4.641 0.145) 4.643 20.052 ( 0.000 4.724 -0.307) 4.734 20.338 ( 0.000 -3.786 0.070) 3.786 20.346 ( 0.000 -2.873 -0.073) 2.874 20.705 ( 0.000 7.884 0.482) 7.899 20.898 ( 0.000 8.116 -7.536) 11.075 21.213 ( 0.000 -5.647 0.570) 5.676 21.246 ( 0.000 -3.720 -0.436) 3.745 21.797 ( 0.000 0.058 0.151) 0.162 21.801 ( 0.000 -0.039 0.231) 0.234 21.803 ( 0.000 0.030 0.073) 0.079 21.805 ( 0.000 -0.036 -0.014) 0.038 25.200 ( 0.000 -1.392 -1.000) 1.714 25.213 ( 0.000 -2.643 0.659) 2.724 25.322 ( 0.000 -2.258 3.466) 4.137 25.408 ( 0.000 -3.387 -0.380) 3.408 25.813 ( 0.000 1.581 0.314) 1.612 25.834 ( 0.000 2.150 -0.434) 2.193 25.990 ( 0.000 -3.374 0.558) 3.420 26.038 ( 0.000 -3.486 -0.668) 3.550 27.196 ( 0.000 0.015 -0.059) 0.061 27.202 ( 0.000 -0.096 -0.147) 0.176 27.492 ( 0.000 2.276 2.390) 3.301 27.596 ( 0.000 -0.702 0.147) 0.717 28.066 ( 0.000 1.167 -0.150) 1.176 28.067 ( 0.000 0.862 0.040) 0.863 28.242 ( 0.000 4.329 -0.766) 4.397 28.360 ( 0.000 4.206 -8.198) 9.214 28.542 ( 0.000 1.379 -0.731) 1.561 28.756 ( 0.000 -2.791 -6.382) 6.965 28.879 ( 0.000 2.404 1.776) 2.988 29.080 ( 0.000 -3.373 -0.752) 3.456 29.578 ( 0.000 2.208 3.371) 4.029 29.827 ( 0.000 -4.123 -1.895) 4.538 29.998 ( 0.000 -5.865 17.162) 18.136 30.491 ( 0.000 -15.058 -0.663) 15.073 30.962 ( 0.000 -0.477 0.411) 0.629 30.965 ( 0.000 -0.433 0.555) 0.704 31.669 ( 0.000 -0.904 -1.440) 1.701 31.698 ( 0.000 -2.400 -2.426) 3.413 34.368 ( 0.000 4.887 5.265) 7.183 34.721 ( 0.000 -2.819 2.054) 3.488 34.922 ( 0.000 4.522 1.322) 4.711 35.554 ( 0.000 -11.227 -8.086) 13.836 36.491 ( 0.000 12.270 0.884) 12.302 36.840 ( 0.000 9.382 -16.359) 18.858 37.084 ( 0.000 -1.655 -1.549) 2.267 37.168 ( 0.000 -0.760 -3.241) 3.329 38.271 ( 0.000 5.137 7.477) 9.072 38.658 ( 0.000 7.028 -1.698) 7.230 38.845 ( 0.000 -15.724 24.116) 28.789 39.159 ( 0.000 -5.919 2.201) 6.315 40.048 ( 0.000 1.141 5.701) 5.814 40.175 ( 0.000 -2.258 6.017) 6.427 41.025 ( 0.000 3.880 -6.629) 7.681 41.379 ( 0.000 -5.692 -12.505) 13.739 42.680 ( 0.000 0.469 6.038) 6.056 42.757 ( 0.000 -1.626 6.935) 7.123 42.938 ( 0.000 -1.145 3.365) 3.555 42.946 ( 0.000 -1.190 1.607) 2.000 43.626 ( 0.000 -8.260 15.523) 17.584 43.700 ( 0.000 2.044 -0.903) 2.234 43.730 ( 0.000 -5.069 -2.063) 5.473 44.061 ( 0.000 -8.898 -0.496) 8.912 90.314 ( 0.000 1.407 0.394) 1.461 90.339 ( 0.000 0.935 -0.489) 1.055 90.407 ( 0.000 2.068 0.668) 2.173 90.521 ( 0.000 0.079 -4.023) 4.024 93.925 ( 0.000 6.588 2.073) 6.907 94.242 ( 0.000 -0.382 -7.709) 7.719 94.683 ( 0.000 -10.450 9.624) 14.207 94.710 ( 0.000 -13.883 14.289) 19.923 ======================= Grid point 64 (26/48) ======================= q-point: ( 0.17 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 17.115 15.591 24.136) 33.445 1.713 ( 12.071 24.347 15.193) 31.133 2.458 ( 8.387 18.504 -2.807) 20.509 2.488 ( 19.222 9.330 9.555) 23.406 2.717 ( 3.851 9.574 5.641) 11.761 2.797 ( 13.174 -5.055 -6.380) 15.486 2.810 ( 7.529 9.769 5.009) 13.312 3.018 ( -4.258 2.125 5.566) 7.323 3.208 ( -11.482 6.666 6.153) 14.633 3.284 ( -0.066 -4.948 -2.381) 5.491 3.415 ( -1.682 8.987 2.121) 9.385 3.576 ( 1.829 -2.776 1.868) 3.813 3.630 ( 1.375 -4.833 -6.834) 8.482 3.818 ( -8.192 -1.146 3.114) 8.838 3.843 ( -1.051 -3.257 0.277) 3.434 3.921 ( 5.145 -2.952 1.657) 6.159 4.007 ( -6.110 -2.559 -0.606) 6.652 4.046 ( -0.218 -1.219 -1.748) 2.142 4.112 ( -4.166 -1.682 -1.266) 4.667 4.227 ( 4.628 -0.508 -2.132) 5.121 4.290 ( 3.881 -3.421 -1.583) 5.410 4.352 ( -0.418 -3.523 -1.702) 3.935 4.466 ( -6.617 3.401 0.453) 7.454 4.540 ( -2.549 -3.797 -3.068) 5.507 4.637 ( 2.265 -0.768 -3.796) 4.487 4.691 ( -1.490 3.508 0.246) 3.819 4.782 ( 5.724 1.116 1.388) 5.995 4.909 ( 1.778 2.297 -0.217) 2.913 4.934 ( 6.731 4.227 -2.861) 8.448 5.024 ( -5.614 -3.607 -0.297) 6.680 5.034 ( -5.432 1.142 -2.777) 6.207 5.209 ( 6.397 4.616 -0.916) 7.941 5.282 ( 4.370 4.724 1.903) 6.711 5.302 ( 7.800 3.557 0.244) 8.576 5.381 ( 7.812 -0.691 2.597) 8.261 5.479 ( 0.887 1.529 0.112) 1.771 5.562 ( 4.041 4.605 -0.610) 6.157 5.629 ( 9.442 2.979 2.303) 10.165 5.664 ( 4.605 -4.297 0.371) 6.309 5.710 ( 2.726 -3.841 -1.335) 4.896 5.733 ( 3.315 -1.918 0.060) 3.831 5.771 ( 1.582 -1.960 0.825) 2.650 5.836 ( -1.477 2.459 -2.518) 3.817 5.996 ( -2.180 2.143 0.377) 3.080 6.033 ( 0.438 -2.182 -0.328) 2.250 6.118 ( -2.153 2.522 -1.394) 3.597 6.194 ( 3.620 2.311 -1.894) 4.694 6.229 ( -6.501 4.940 -5.825) 10.030 6.256 ( -0.541 -2.344 -2.572) 3.521 6.384 ( 4.272 5.388 -1.251) 6.989 6.435 ( 0.674 1.691 3.465) 3.915 6.542 ( -1.249 0.189 -6.176) 6.304 6.561 ( 3.835 -0.938 -2.392) 4.616 6.717 ( -3.292 3.748 -4.046) 6.423 6.796 ( -1.481 3.422 0.636) 3.783 6.884 ( -2.520 0.936 -2.001) 3.351 6.927 ( -1.547 1.309 -1.237) 2.374 6.990 ( 4.230 3.648 -1.897) 5.899 7.026 ( -0.984 2.530 0.022) 2.714 7.080 ( -0.955 6.410 1.202) 6.591 7.099 ( -0.487 8.111 1.403) 8.246 7.196 ( 2.438 3.337 -0.997) 4.251 7.261 ( -4.381 0.115 5.653) 7.153 7.425 ( -2.380 -6.209 5.579) 8.680 7.535 ( 2.367 -2.112 5.239) 6.125 7.711 ( -2.107 3.211 -2.650) 4.666 7.765 ( 2.614 -1.374 -1.727) 3.421 7.783 ( 2.596 -5.907 -2.319) 6.856 8.134 ( -0.124 -13.696 -5.829) 14.885 8.265 ( -5.604 -6.795 -13.284) 15.938 8.447 ( -1.398 -9.860 5.912) 11.581 8.675 ( -5.453 -12.652 0.455) 13.785 10.308 ( -0.998 2.311 -0.483) 2.563 10.472 ( -0.867 -2.144 -2.028) 3.076 10.560 ( -0.054 0.661 -1.398) 1.547 10.643 ( -1.987 -1.797 -3.783) 4.636 11.063 ( 3.288 0.231 0.110) 3.298 11.082 ( 3.925 -0.270 -0.386) 3.953 11.223 ( 0.200 0.016 0.195) 0.280 11.225 ( 0.431 0.284 0.381) 0.642 11.298 ( -0.523 -0.692 2.247) 2.409 11.331 ( -0.531 -1.225 2.584) 2.909 11.443 ( -2.193 1.546 1.646) 3.148 11.506 ( -2.819 -0.484 0.002) 2.861 12.306 ( -0.894 0.794 -4.276) 4.440 12.364 ( 0.838 -1.012 -4.928) 5.100 12.885 ( -10.163 -0.397 6.800) 12.235 12.896 ( -10.611 -1.115 7.410) 12.991 13.800 ( 7.072 0.412 1.382) 7.218 13.835 ( 6.430 -0.532 -0.308) 6.459 13.923 ( 6.561 0.531 0.942) 6.650 13.969 ( 6.126 -0.764 -0.121) 6.174 15.287 ( -2.428 1.266 1.674) 3.209 15.383 ( -2.633 -1.662 -0.944) 3.253 15.631 ( -0.145 1.329 0.989) 1.663 15.665 ( -0.619 2.019 0.758) 2.244 15.696 ( -0.174 -0.480 0.681) 0.851 15.736 ( -0.374 0.198 0.202) 0.469 15.970 ( -11.794 0.770 7.039) 13.756 16.003 ( -11.723 -0.002 5.542) 12.967 17.965 ( 3.331 0.426 -2.372) 4.112 18.000 ( 3.110 -0.492 -2.322) 3.912 18.135 ( 0.755 0.154 4.277) 4.346 18.154 ( 0.548 -0.326 3.212) 3.275 18.882 ( -0.293 1.429 -0.721) 1.627 18.941 ( -0.910 -0.149 -1.795) 2.018 19.076 ( -3.233 1.026 -1.626) 3.762 19.109 ( -3.790 0.085 -2.120) 4.343 20.036 ( 0.445 4.770 0.058) 4.791 20.052 ( 0.001 4.856 -0.256) 4.862 20.344 ( 0.627 -3.613 0.017) 3.667 20.350 ( 0.450 -2.874 -0.055) 2.909 20.703 ( -0.175 7.640 0.393) 7.652 20.837 ( -5.189 8.995 -4.535) 11.332 21.200 ( -1.159 -5.674 0.490) 5.812 21.229 ( -1.641 -4.090 -0.355) 4.421 21.790 ( -0.657 0.107 0.139) 0.681 21.795 ( -0.685 0.034 0.051) 0.688 21.797 ( -0.452 -0.114 0.146) 0.489 21.798 ( -0.593 -0.035 0.022) 0.595 25.182 ( -1.614 -1.274 -0.421) 2.099 25.200 ( -0.941 -1.862 -0.154) 2.092 25.290 ( -2.970 -1.416 2.326) 4.029 25.378 ( -3.048 -3.342 -0.357) 4.538 25.818 ( 0.507 1.642 0.317) 1.747 25.837 ( 0.257 2.212 -0.338) 2.252 25.995 ( 0.479 -3.282 0.478) 3.351 26.042 ( 0.164 -3.393 -0.798) 3.490 27.235 ( 4.032 -0.081 0.260) 4.041 27.256 ( 4.560 -0.633 -0.270) 4.612 27.469 ( -2.102 2.083 2.288) 3.741 27.570 ( -2.458 -0.831 0.119) 2.597 28.073 ( 0.731 1.314 -0.150) 1.511 28.076 ( 0.906 1.110 -0.079) 1.435 28.230 ( -1.233 3.938 -0.605) 4.170 28.319 ( -4.628 4.090 -5.626) 8.355 28.557 ( 3.476 3.792 1.058) 5.252 28.801 ( 2.650 -0.228 -4.404) 5.144 28.892 ( 3.877 -1.135 0.176) 4.043 29.154 ( 3.849 -5.637 -6.243) 9.250 29.596 ( 1.986 2.722 3.926) 5.173 29.855 ( 2.871 -4.005 -1.712) 5.217 29.961 ( -3.845 -4.679 15.096) 16.266 30.420 ( -7.081 -13.604 -0.775) 15.356 31.019 ( 6.747 0.035 1.031) 6.825 31.076 ( 9.979 -1.932 -0.219) 10.167 31.642 ( -2.984 -0.940 -0.625) 3.190 31.687 ( -1.575 -2.660 -1.960) 3.660 34.419 ( 5.181 5.467 4.494) 8.771 34.824 ( 3.978 2.969 -5.143) 7.148 34.971 ( 9.286 -6.238 4.081) 11.908 35.551 ( -0.527 -11.734 -7.790) 14.094 36.491 ( 0.098 12.044 0.603) 12.060 36.771 ( -6.579 10.942 -12.671) 17.988 37.065 ( -1.337 -3.053 -0.047) 3.333 37.145 ( -2.230 -1.614 -2.779) 3.911 38.287 ( 1.772 4.757 6.247) 8.050 38.624 ( -3.412 6.422 -1.331) 7.393 38.707 ( -7.440 -6.963 17.427) 20.187 39.112 ( -6.392 -6.582 0.839) 9.213 40.290 ( 11.906 -0.883 6.280) 13.489 40.464 ( 32.692 -10.167 -1.445) 34.267 41.047 ( 2.028 2.926 -3.605) 5.066 41.411 ( 2.938 -6.470 -11.377) 13.414 42.710 ( 2.854 -0.145 4.912) 5.683 42.774 ( 1.699 -1.608 6.323) 6.742 42.920 ( -1.214 -1.120 2.824) 3.271 42.950 ( -0.131 -2.450 3.233) 4.058 43.593 ( -2.574 -5.776 11.695) 13.295 43.675 ( -2.186 2.009 -0.897) 3.101 43.754 ( 1.802 -6.551 -0.435) 6.808 44.019 ( -4.155 -8.705 -0.675) 9.670 90.319 ( 0.524 1.475 0.347) 1.604 90.345 ( 0.600 1.040 -0.558) 1.324 90.402 ( -0.544 1.909 0.689) 2.101 90.494 ( -2.471 0.732 -2.808) 3.811 93.948 ( 2.388 6.730 2.074) 7.436 94.222 ( -2.139 1.427 -5.810) 6.353 94.681 ( 0.817 -9.511 8.544) 12.811 94.753 ( 2.675 -16.934 9.217) 19.465 ======================= Grid point 65 (27/48) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 28.690 12.302 11.855) 33.391 1.969 ( 16.778 20.860 7.555) 27.816 2.584 ( 2.975 13.699 -4.252) 14.649 2.712 ( -5.915 1.759 1.647) 6.387 2.737 ( -1.899 14.984 0.558) 15.115 2.878 ( -6.620 2.531 5.765) 9.136 2.953 ( 8.613 7.070 3.683) 11.736 2.980 ( 7.808 0.661 7.033) 10.529 3.247 ( -2.137 0.014 -2.914) 3.614 3.355 ( 5.633 0.120 -1.873) 5.937 3.382 ( 13.511 7.073 3.064) 15.555 3.546 ( -6.761 1.360 -0.896) 6.955 3.605 ( -9.799 -1.438 1.126) 9.968 3.674 ( 2.306 -4.358 -8.521) 9.845 3.840 ( -0.159 -6.410 1.463) 6.577 3.904 ( -0.889 -5.620 -4.098) 7.012 3.995 ( 1.548 0.590 0.087) 1.659 4.041 ( 2.208 -1.916 -0.744) 3.017 4.109 ( -0.113 -3.425 -0.961) 3.559 4.220 ( 0.733 -3.788 -0.687) 3.919 4.305 ( -2.935 -4.749 5.839) 8.078 4.356 ( -3.395 -7.175 -0.033) 7.938 4.378 ( -5.243 -5.382 3.924) 8.477 4.502 ( -5.815 2.761 -1.879) 6.706 4.640 ( 3.012 -3.777 -0.037) 4.831 4.732 ( -3.747 10.554 -1.045) 11.248 4.758 ( 3.914 -2.686 -9.033) 10.205 4.949 ( 0.853 2.127 -0.053) 2.292 4.966 ( 4.353 4.393 0.640) 6.218 5.064 ( 5.394 3.827 -1.018) 6.691 5.099 ( 9.838 3.429 0.962) 10.463 5.212 ( -3.128 2.461 1.839) 4.384 5.350 ( -3.184 6.141 1.411) 7.059 5.445 ( 1.864 5.105 4.680) 7.172 5.471 ( 8.175 5.666 -3.418) 10.518 5.587 ( -4.060 2.958 0.490) 5.047 5.632 ( 1.293 -1.424 -0.206) 1.934 5.676 ( 9.297 2.630 0.540) 9.677 5.720 ( 1.067 3.409 -1.023) 3.715 5.768 ( 3.863 -1.087 -0.613) 4.059 5.807 ( 6.182 0.992 -1.371) 6.409 5.884 ( 6.808 -1.147 -1.283) 7.022 5.903 ( 5.800 3.294 2.231) 7.033 6.002 ( 2.863 1.964 1.358) 3.728 6.053 ( 1.952 -2.513 4.068) 5.165 6.077 ( -0.455 1.062 -0.193) 1.171 6.166 ( -0.812 2.975 -3.553) 4.705 6.210 ( -2.365 -0.869 -1.453) 2.909 6.280 ( 1.732 3.126 -1.781) 3.993 6.359 ( -4.499 -0.474 -0.804) 4.594 6.451 ( -5.988 1.607 0.533) 6.223 6.535 ( -9.723 -1.766 -0.942) 9.927 6.587 ( 5.961 0.875 -8.531) 10.444 6.653 ( 6.239 -2.740 -1.318) 6.940 6.769 ( -3.682 4.626 1.816) 6.185 6.841 ( 2.544 1.832 -1.305) 3.396 6.906 ( -1.762 3.466 -1.354) 4.117 6.982 ( -2.638 4.407 3.823) 6.403 7.061 ( 1.999 1.989 -2.053) 3.488 7.094 ( 5.205 1.339 -1.967) 5.723 7.156 ( 2.312 4.858 -1.340) 5.544 7.213 ( -0.991 3.492 0.800) 3.717 7.250 ( 2.159 6.391 -0.448) 6.761 7.420 ( 2.883 -8.619 4.948) 10.348 7.512 ( -4.997 3.077 2.435) 6.353 7.623 ( -6.229 1.363 -2.975) 7.036 7.804 ( 1.781 -1.792 -3.510) 4.325 7.841 ( 2.359 -3.658 -1.600) 4.638 8.128 ( -0.016 -11.863 -4.787) 12.793 8.198 ( -1.611 -9.238 -5.494) 10.869 8.427 ( 0.061 -12.109 3.510) 12.608 8.567 ( -5.711 -13.654 0.415) 14.806 10.320 ( 2.858 2.021 -1.669) 3.878 10.458 ( -0.283 -1.767 -0.247) 1.806 10.538 ( -2.390 0.049 -0.342) 2.414 10.570 ( -5.807 -0.917 -2.493) 6.385 11.143 ( 4.764 0.421 -0.104) 4.784 11.168 ( 4.488 -0.286 -0.951) 4.597 11.214 ( -0.812 0.333 0.715) 1.132 11.225 ( -0.567 0.409 0.229) 0.736 11.299 ( 0.893 -1.052 1.760) 2.236 11.324 ( -0.211 -1.307 1.997) 2.396 11.387 ( -3.523 1.196 2.183) 4.314 11.433 ( -4.696 -0.194 0.409) 4.718 12.309 ( 1.951 1.172 -2.982) 3.751 12.395 ( 2.706 -1.218 -4.198) 5.141 12.638 ( -13.473 -0.234 4.282) 14.139 12.688 ( -11.109 -1.120 2.004) 11.343 13.969 ( 9.824 0.206 0.854) 9.864 13.992 ( 9.111 -0.373 -0.599) 9.139 14.062 ( 6.785 0.198 0.791) 6.834 14.094 ( 5.631 -0.620 -0.360) 5.676 15.257 ( 0.559 1.030 3.520) 3.710 15.339 ( -0.622 -1.488 1.372) 2.118 15.614 ( -4.831 0.314 4.060) 6.318 15.653 ( -1.389 1.408 0.901) 2.173 15.658 ( -7.673 -0.485 3.394) 8.404 15.704 ( -10.280 0.999 3.564) 10.926 15.732 ( -1.934 0.238 0.389) 1.987 15.753 ( -8.463 0.322 2.071) 8.719 18.039 ( 4.137 0.429 -0.527) 4.193 18.068 ( 3.756 -0.345 -0.593) 3.818 18.139 ( -0.581 0.093 3.194) 3.248 18.157 ( -0.474 -0.305 2.286) 2.354 18.887 ( 1.182 1.140 -1.386) 2.149 18.928 ( -0.198 0.104 -2.002) 2.015 19.004 ( -3.969 0.781 -1.850) 4.449 19.021 ( -5.146 0.267 -2.106) 5.567 20.045 ( 0.386 5.097 -0.035) 5.112 20.051 ( -0.037 5.132 -0.150) 5.135 20.357 ( 0.588 -3.158 -0.060) 3.212 20.360 ( 0.433 -2.884 -0.041) 2.916 20.701 ( 0.050 7.213 0.191) 7.216 20.751 ( -3.466 8.530 -1.274) 9.295 21.178 ( -0.949 -5.638 0.244) 5.723 21.194 ( -1.797 -4.835 -0.167) 5.161 21.778 ( -0.531 0.141 0.072) 0.554 21.781 ( -0.688 0.049 0.011) 0.690 21.787 ( -0.494 -0.076 0.037) 0.501 21.788 ( -0.479 -0.124 0.081) 0.502 25.158 ( -0.547 -0.695 -0.487) 1.009 25.191 ( -0.057 -1.107 -1.265) 1.682 25.230 ( -2.674 -1.288 1.296) 3.239 25.306 ( -4.194 -2.913 -0.399) 5.122 25.829 ( 0.616 1.821 0.240) 1.937 25.841 ( 0.089 2.215 -0.153) 2.222 26.007 ( 0.795 -3.097 0.237) 3.206 26.038 ( -0.578 -3.087 -0.590) 3.196 27.318 ( 4.109 -0.018 0.855) 4.197 27.350 ( 5.208 -0.725 0.064) 5.259 27.426 ( -2.286 1.521 2.024) 3.411 27.514 ( -3.418 -0.980 0.161) 3.560 28.094 ( 1.522 2.047 -0.451) 2.590 28.100 ( 1.534 1.795 -0.493) 2.412 28.199 ( -1.919 2.843 -0.079) 3.431 28.227 ( -4.362 3.271 -1.098) 5.561 28.660 ( 6.343 4.505 -0.144) 7.781 28.816 ( -0.908 2.653 -1.379) 3.124 29.014 ( 7.327 -4.511 -4.565) 9.740 29.177 ( -0.944 -6.156 -7.702) 9.905 29.649 ( 3.608 2.751 5.330) 6.999 29.848 ( -5.861 -1.070 9.946) 11.594 29.951 ( 5.452 -5.476 0.047) 7.728 30.256 ( -9.605 -10.455 -0.840) 14.222 31.190 ( 10.588 0.228 1.417) 10.685 31.289 ( 11.472 -2.900 -0.888) 11.866 31.553 ( -6.425 -0.836 0.886) 6.539 31.627 ( -4.966 -3.076 -1.161) 5.956 34.547 ( 7.878 6.652 2.550) 10.621 34.801 ( -4.143 7.744 -2.513) 9.135 35.224 ( 13.465 -14.970 -2.704) 20.316 35.522 ( -2.952 -13.065 -6.997) 15.112 36.502 ( 1.200 11.616 -0.291) 11.681 36.639 ( -6.466 11.633 -6.087) 14.635 37.049 ( -0.241 -4.303 -0.055) 4.310 37.097 ( -2.592 -3.287 -1.792) 4.553 38.341 ( 3.931 4.452 3.600) 6.944 38.538 ( -5.529 6.171 -0.943) 8.339 38.661 ( 2.378 -4.432 8.553) 9.922 38.948 ( -10.013 -5.301 0.034) 11.330 40.560 ( 15.537 2.300 5.824) 16.751 40.910 ( 6.276 -0.339 -5.701) 8.485 41.146 ( 13.118 -11.197 -1.301) 17.296 41.453 ( 0.344 -8.927 -9.171) 12.803 42.766 ( 2.639 -0.677 3.693) 4.589 42.807 ( 1.130 -1.042 4.252) 4.521 42.906 ( 0.079 -2.498 3.697) 4.462 42.941 ( -0.692 -4.383 4.584) 6.380 43.558 ( -0.584 -1.934 6.150) 6.473 43.627 ( -2.775 0.730 0.461) 2.906 43.788 ( 1.919 -7.633 -0.852) 7.917 43.923 ( -5.442 -8.362 -1.048) 10.032 90.333 ( 0.947 1.658 0.218) 1.922 90.358 ( 0.504 1.594 -0.715) 1.819 90.391 ( -0.277 1.272 0.703) 1.479 90.445 ( -2.485 1.158 -1.208) 2.996 94.009 ( 3.967 6.765 1.622) 8.008 94.166 ( -3.682 4.254 -2.391) 6.113 94.713 ( 2.281 -11.196 4.769) 12.381 94.779 ( -0.050 -17.194 4.161) 17.691 ======================= Grid point 66 (28/48) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -19.606 18.423 1.311) 26.935 2.302 ( 19.606 18.423 1.311) 26.935 2.457 ( -24.169 4.355 4.307) 24.933 2.457 ( 24.169 4.355 4.307) 24.933 2.788 ( -3.296 13.798 1.703) 14.288 2.788 ( 3.296 13.798 1.703) 14.288 3.087 ( -2.747 1.593 2.987) 4.359 3.087 ( 2.747 1.593 2.987) 4.359 3.280 ( -4.522 -1.634 -1.501) 5.037 3.280 ( 4.522 -1.634 -1.501) 5.037 3.426 ( -3.136 -0.059 -2.872) 4.253 3.426 ( 3.136 -0.059 -2.872) 4.253 3.692 ( -3.164 -2.019 -1.144) 3.924 3.692 ( 3.164 -2.019 -1.144) 3.924 3.895 ( -9.014 -5.332 -1.972) 10.657 3.895 ( 9.014 -5.332 -1.972) 10.657 4.020 ( -5.846 -4.474 -0.536) 7.381 4.020 ( 5.846 -4.474 -0.536) 7.381 4.168 ( -9.943 -2.018 3.795) 10.832 4.168 ( 9.943 -2.018 3.795) 10.832 4.283 ( -2.578 -7.198 1.010) 7.712 4.283 ( 2.578 -7.198 1.010) 7.712 4.378 ( -6.850 -4.792 1.660) 8.523 4.378 ( 6.850 -4.792 1.660) 8.523 4.652 ( -4.176 5.539 -3.250) 7.660 4.652 ( 4.176 5.539 -3.250) 7.660 4.918 ( -5.896 2.879 -6.653) 9.344 4.918 ( 5.896 2.879 -6.653) 9.344 5.109 ( -4.110 1.595 5.479) 7.033 5.109 ( 4.110 1.595 5.479) 7.033 5.166 ( -6.494 11.270 0.983) 13.044 5.166 ( 6.494 11.270 0.983) 13.044 5.360 ( -12.861 4.223 2.813) 13.826 5.360 ( 12.861 4.223 2.813) 13.826 5.522 ( -3.667 2.233 0.383) 4.311 5.522 ( 3.667 2.233 0.383) 4.311 5.706 ( -4.566 4.102 -1.458) 6.309 5.706 ( 4.566 4.102 -1.458) 6.309 5.804 ( -3.054 0.042 -0.334) 3.073 5.804 ( 3.054 0.042 -0.334) 3.073 5.895 ( -2.756 0.327 -2.305) 3.608 5.895 ( 2.756 0.327 -2.305) 3.608 6.018 ( -3.194 1.937 -1.409) 3.993 6.018 ( 3.194 1.937 -1.409) 3.993 6.116 ( -5.899 2.039 0.646) 6.274 6.116 ( 5.899 2.039 0.646) 6.274 6.198 ( -8.315 1.700 2.477) 8.841 6.198 ( 8.315 1.700 2.477) 8.841 6.248 ( -9.547 -1.818 -0.061) 9.719 6.248 ( 9.547 -1.818 -0.061) 9.719 6.377 ( -4.275 -2.667 1.731) 5.328 6.377 ( 4.275 -2.667 1.731) 5.328 6.692 ( -3.731 2.298 -5.721) 7.206 6.692 ( 3.731 2.298 -5.721) 7.206 6.798 ( -4.466 0.902 -0.717) 4.613 6.798 ( 4.466 0.902 -0.717) 4.613 6.944 ( -2.194 2.828 0.715) 3.650 6.944 ( 2.194 2.828 0.715) 3.650 7.132 ( -4.541 2.166 -0.715) 5.081 7.132 ( 4.541 2.166 -0.715) 5.081 7.166 ( -2.284 3.576 -0.194) 4.248 7.166 ( 2.284 3.576 -0.194) 4.248 7.360 ( -9.174 9.110 -2.401) 13.150 7.360 ( 9.174 9.110 -2.401) 13.150 7.515 ( -5.845 -6.320 2.151) 8.873 7.515 ( 5.845 -6.320 2.151) 8.873 7.843 ( -1.923 -3.104 -4.086) 5.480 7.843 ( 1.923 -3.104 -4.086) 5.480 8.157 ( -2.668 -10.480 -2.279) 11.052 8.157 ( 2.668 -10.480 -2.279) 11.052 8.470 ( -4.263 -13.570 0.674) 14.240 8.470 ( 4.263 -13.570 0.674) 14.240 10.419 ( -6.691 0.844 -0.880) 6.802 10.419 ( 6.691 0.844 -0.880) 6.802 10.492 ( -1.888 -1.216 -0.102) 2.248 10.492 ( 1.888 -1.216 -0.102) 2.248 11.201 ( -0.539 0.288 0.460) 0.765 11.201 ( 0.539 0.288 0.460) 0.765 11.221 ( -1.231 -0.017 -1.471) 1.919 11.221 ( 1.231 -0.017 -1.471) 1.919 11.327 ( -0.847 -0.029 2.340) 2.489 11.327 ( 0.847 -0.029 2.340) 2.489 11.348 ( -3.156 -0.447 1.542) 3.541 11.348 ( 3.156 -0.447 1.542) 3.541 12.395 ( -6.486 1.461 -1.365) 6.787 12.395 ( 6.486 1.461 -1.365) 6.787 12.518 ( -5.474 -2.070 -0.615) 5.884 12.518 ( 5.474 -2.070 -0.615) 5.884 14.107 ( -2.568 0.028 0.295) 2.585 14.107 ( 2.568 0.028 0.295) 2.585 14.122 ( -2.776 -0.372 -0.512) 2.847 14.122 ( 2.776 -0.372 -0.512) 2.847 15.352 ( -7.654 0.962 5.227) 9.319 15.352 ( 7.654 0.962 5.227) 9.319 15.445 ( -6.381 -2.161 5.074) 8.434 15.445 ( 6.381 -2.161 5.074) 8.434 15.648 ( -0.160 2.075 0.228) 2.093 15.648 ( 0.160 2.075 0.228) 2.093 15.722 ( -0.243 0.036 0.116) 0.272 15.722 ( 0.243 0.036 0.116) 0.272 18.106 ( -2.471 0.350 1.713) 3.026 18.106 ( 2.471 0.350 1.713) 3.026 18.131 ( -2.116 -0.324 0.908) 2.325 18.131 ( 2.116 -0.324 0.908) 2.325 18.932 ( -3.350 0.741 -1.984) 3.964 18.932 ( 3.350 0.741 -1.984) 3.964 18.945 ( -1.817 0.363 -1.987) 2.717 18.945 ( 1.817 0.363 -1.987) 2.717 20.050 ( -0.166 5.279 -0.074) 5.282 20.050 ( 0.166 5.279 -0.074) 5.282 20.363 ( -0.070 -2.881 -0.064) 2.882 20.363 ( 0.070 -2.881 -0.064) 2.882 20.710 ( -1.091 7.395 -0.149) 7.476 20.710 ( 1.091 7.395 -0.149) 7.476 21.172 ( -0.434 -5.397 0.031) 5.415 21.172 ( 0.434 -5.397 0.031) 5.415 21.773 ( -0.099 0.115 0.029) 0.154 21.773 ( 0.099 0.115 0.029) 0.154 21.782 ( -0.033 -0.109 0.039) 0.120 21.782 ( 0.033 -0.109 0.039) 0.120 25.168 ( -1.564 -0.314 -0.763) 1.768 25.168 ( 1.564 -0.314 -0.763) 1.768 25.237 ( -2.794 -2.404 -0.127) 3.688 25.237 ( 2.794 -2.404 -0.127) 3.688 25.839 ( -0.336 2.050 0.063) 2.079 25.839 ( 0.336 2.050 0.063) 2.079 26.023 ( -0.887 -2.983 -0.151) 3.116 26.023 ( 0.887 -2.983 -0.151) 3.116 27.381 ( -2.680 0.768 1.578) 3.203 27.381 ( 2.680 0.768 1.578) 3.203 27.442 ( -4.358 -0.949 0.193) 4.464 27.442 ( 4.358 -0.949 0.193) 4.464 28.120 ( -0.326 3.135 -1.401) 3.449 28.120 ( 0.326 3.135 -1.401) 3.449 28.174 ( -0.436 1.583 0.906) 1.875 28.174 ( 0.436 1.583 0.906) 1.875 28.765 ( -4.417 3.870 -0.908) 5.943 28.765 ( 4.417 3.870 -0.908) 5.943 29.128 ( -4.385 -5.502 -6.632) 9.668 29.128 ( 4.385 -5.502 -6.632) 9.668 29.735 ( -5.541 1.408 7.828) 9.693 29.735 ( 5.541 1.408 7.828) 9.693 30.083 ( -8.385 -7.431 -0.776) 11.231 30.083 ( 8.385 -7.431 -0.776) 11.231 31.381 ( -8.339 0.287 0.614) 8.367 31.381 ( 8.339 0.287 0.614) 8.367 31.502 ( -7.455 -3.625 -0.037) 8.290 31.502 ( 7.455 -3.625 -0.037) 8.290 34.693 ( -7.149 7.576 0.129) 10.417 34.693 ( 7.149 7.576 0.129) 10.417 35.425 ( -7.789 -14.682 -5.671) 17.561 35.425 ( 7.789 -14.682 -5.671) 17.561 36.545 ( -3.567 11.454 -2.180) 12.193 36.545 ( 3.567 11.454 -2.180) 12.193 37.059 ( -1.322 -4.368 -0.852) 4.642 37.059 ( 1.322 -4.368 -0.852) 4.642 38.431 ( -5.533 5.022 0.964) 7.534 38.431 ( 5.533 5.022 0.964) 7.534 38.769 ( -8.348 -4.387 2.410) 9.734 38.769 ( 8.348 -4.387 2.410) 9.734 40.821 ( -11.037 4.555 2.883) 12.283 40.821 ( 11.037 4.555 2.883) 12.283 41.385 ( -8.422 -12.796 -7.221) 16.936 41.385 ( 8.422 -12.796 -7.221) 16.936 42.803 ( -1.261 -0.499 3.399) 3.660 42.803 ( 1.261 -0.499 3.399) 3.660 42.923 ( -1.262 -4.382 4.537) 6.433 42.923 ( 1.262 -4.382 4.537) 6.433 43.577 ( -2.250 -0.205 2.334) 3.248 43.577 ( 2.250 -0.205 2.334) 3.248 43.836 ( -3.536 -8.135 -1.266) 8.961 43.836 ( 3.536 -8.135 -1.266) 8.961 90.352 ( -0.947 1.922 -0.079) 2.144 90.352 ( 0.947 1.922 -0.079) 2.144 90.405 ( -1.644 0.943 -0.223) 1.908 90.405 ( 1.644 0.943 -0.223) 1.908 94.089 ( -4.345 6.074 0.217) 7.471 94.089 ( 4.345 6.074 0.217) 7.471 94.756 ( -2.086 -14.384 2.813) 14.804 94.756 ( 2.086 -14.384 2.813) 14.804 ======================= Grid point 70 (29/48) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 0.000 18.109 19.904) 26.909 1.909 ( 0.000 6.036 9.041) 10.870 2.156 ( 0.000 -6.400 12.332) 13.893 2.391 ( 0.000 -15.209 2.009) 15.341 2.844 ( 0.000 12.209 -0.207) 12.210 2.998 ( 0.000 21.780 4.115) 22.165 3.008 ( 0.000 -5.544 -6.960) 8.899 3.184 ( 0.000 6.910 2.011) 7.197 3.244 ( 0.000 13.218 10.709) 17.012 3.448 ( 0.000 0.980 0.548) 1.123 3.464 ( 0.000 2.709 5.231) 5.891 3.521 ( 0.000 -2.529 6.893) 7.342 3.679 ( 0.000 -5.463 1.153) 5.584 3.679 ( 0.000 9.105 -1.202) 9.184 3.808 ( 0.000 -7.403 3.267) 8.092 3.886 ( 0.000 1.017 -0.136) 1.026 3.889 ( 0.000 -10.765 9.541) 14.385 3.982 ( 0.000 -6.615 -1.929) 6.891 4.152 ( 0.000 1.141 0.940) 1.478 4.209 ( 0.000 -1.581 -0.968) 1.854 4.282 ( 0.000 0.450 -9.708) 9.719 4.288 ( 0.000 -1.648 -6.139) 6.356 4.479 ( 0.000 -0.662 -9.402) 9.425 4.512 ( 0.000 -3.446 -2.659) 4.353 4.706 ( 0.000 3.831 0.766) 3.907 4.745 ( 0.000 1.038 2.483) 2.691 4.854 ( 0.000 2.953 -5.138) 5.926 4.919 ( 0.000 3.010 -0.111) 3.012 4.932 ( 0.000 0.240 -0.966) 0.995 4.978 ( 0.000 -6.740 -0.679) 6.774 5.072 ( 0.000 4.620 -5.037) 6.835 5.124 ( 0.000 -1.254 -5.532) 5.672 5.270 ( 0.000 2.392 6.681) 7.096 5.278 ( 0.000 0.918 -0.887) 1.277 5.380 ( 0.000 -0.960 5.583) 5.665 5.416 ( 0.000 -3.479 9.733) 10.336 5.518 ( 0.000 2.967 0.712) 3.051 5.545 ( 0.000 0.013 -3.581) 3.581 5.584 ( 0.000 5.819 -5.577) 8.060 5.649 ( 0.000 -0.277 2.202) 2.219 5.658 ( 0.000 -1.873 2.669) 3.260 5.775 ( 0.000 -9.915 -1.397) 10.013 5.775 ( 0.000 0.721 -1.258) 1.450 5.806 ( 0.000 -4.021 0.066) 4.022 6.132 ( 0.000 1.815 -0.837) 1.999 6.193 ( 0.000 -3.474 0.491) 3.509 6.290 ( 0.000 3.740 -4.735) 6.034 6.319 ( 0.000 3.157 -8.149) 8.739 6.355 ( 0.000 6.628 -4.086) 7.787 6.434 ( 0.000 2.096 0.769) 2.233 6.495 ( 0.000 5.031 0.374) 5.045 6.564 ( 0.000 2.081 -2.671) 3.386 6.618 ( 0.000 2.134 -7.374) 7.677 6.738 ( 0.000 -6.793 -2.748) 7.328 6.852 ( 0.000 3.932 -0.302) 3.944 6.872 ( 0.000 4.388 -3.762) 5.780 6.965 ( 0.000 -0.163 1.991) 1.998 6.992 ( 0.000 -0.071 -2.358) 2.359 7.166 ( 0.000 3.888 -0.524) 3.923 7.210 ( 0.000 -0.006 1.451) 1.451 7.270 ( 0.000 3.229 1.706) 3.652 7.290 ( 0.000 6.607 -1.578) 6.793 7.352 ( 0.000 3.177 7.737) 8.363 7.410 ( 0.000 2.288 2.929) 3.717 7.410 ( 0.000 -0.208 8.157) 8.159 7.617 ( 0.000 -10.319 -2.031) 10.517 7.653 ( 0.000 -1.520 0.807) 1.721 7.716 ( 0.000 -4.819 -1.562) 5.065 7.942 ( 0.000 0.209 -8.651) 8.653 8.118 ( 0.000 -12.226 -12.261) 17.315 8.364 ( 0.000 0.838 4.385) 4.464 8.492 ( 0.000 -10.894 1.508) 10.998 10.373 ( 0.000 2.811 -1.353) 3.120 10.431 ( 0.000 -2.791 -2.220) 3.566 10.581 ( 0.000 1.534 -2.541) 2.968 10.616 ( 0.000 -1.984 -3.465) 3.993 11.032 ( 0.000 0.110 0.231) 0.256 11.036 ( 0.000 -0.249 0.165) 0.299 11.220 ( 0.000 0.174 -0.295) 0.343 11.222 ( 0.000 -0.010 -0.566) 0.566 11.303 ( 0.000 0.270 2.945) 2.957 11.316 ( 0.000 -0.911 2.902) 3.042 11.494 ( 0.000 1.372 1.088) 1.751 11.518 ( 0.000 -0.950 0.539) 1.093 12.332 ( 0.000 0.694 -4.841) 4.890 12.345 ( 0.000 -0.625 -5.005) 5.044 12.985 ( 0.000 0.130 7.773) 7.774 12.989 ( 0.000 -0.478 8.557) 8.571 13.744 ( 0.000 0.736 1.007) 1.248 13.759 ( 0.000 -0.791 0.466) 0.918 13.870 ( 0.000 0.887 0.461) 0.999 13.888 ( 0.000 -0.917 0.234) 0.947 15.344 ( 0.000 1.625 0.244) 1.643 15.377 ( 0.000 -1.673 -0.864) 1.883 15.658 ( 0.000 1.168 1.235) 1.700 15.679 ( 0.000 -0.811 0.764) 1.114 15.714 ( 0.000 1.522 1.061) 1.855 15.737 ( 0.000 -0.667 0.453) 0.807 16.105 ( 0.000 0.860 6.188) 6.247 16.118 ( 0.000 -0.388 5.608) 5.622 17.942 ( 0.000 0.644 -3.151) 3.216 17.956 ( 0.000 -0.671 -3.177) 3.247 18.133 ( 0.000 0.401 4.481) 4.499 18.140 ( 0.000 -0.334 4.049) 4.063 18.917 ( 0.000 1.442 -0.816) 1.657 18.941 ( 0.000 -0.864 -1.264) 1.531 19.130 ( 0.000 0.941 -1.704) 1.947 19.144 ( 0.000 -0.406 -1.898) 1.941 20.133 ( 0.000 5.289 0.013) 5.289 20.154 ( 0.000 5.062 -0.524) 5.089 20.248 ( 0.000 -4.759 0.474) 4.783 20.267 ( 0.000 -4.705 -0.009) 4.705 20.884 ( 0.000 9.386 0.755) 9.416 21.026 ( 0.000 2.291 -2.988) 3.765 21.084 ( 0.000 -4.393 0.207) 4.398 21.158 ( 0.000 -4.995 -1.333) 5.170 21.799 ( 0.000 0.064 0.155) 0.168 21.800 ( 0.000 -0.057 0.190) 0.198 21.804 ( 0.000 0.032 0.072) 0.079 21.804 ( 0.000 -0.027 0.037) 0.046 25.175 ( 0.000 -0.866 0.563) 1.033 25.176 ( 0.000 -0.793 -0.473) 0.923 25.312 ( 0.000 0.797 0.246) 0.834 25.347 ( 0.000 -2.550 -0.374) 2.577 25.856 ( 0.000 2.716 0.449) 2.753 25.888 ( 0.000 3.214 -0.604) 3.271 25.920 ( 0.000 -3.454 0.535) 3.495 25.962 ( 0.000 -3.897 -0.690) 3.957 27.197 ( 0.000 0.098 -0.096) 0.137 27.200 ( 0.000 -0.132 -0.133) 0.188 27.538 ( 0.000 2.179 1.555) 2.677 27.575 ( 0.000 -1.437 0.764) 1.627 28.081 ( 0.000 0.455 0.520) 0.691 28.082 ( 0.000 0.377 0.429) 0.571 28.330 ( 0.000 4.170 -3.003) 5.139 28.391 ( 0.000 -1.277 -6.391) 6.518 28.592 ( 0.000 3.896 -0.964) 4.013 28.681 ( 0.000 -4.477 -3.722) 5.823 28.937 ( 0.000 3.296 -0.140) 3.299 29.008 ( 0.000 -3.695 -1.203) 3.886 29.641 ( 0.000 4.063 1.871) 4.473 29.734 ( 0.000 -4.926 -0.162) 4.928 30.006 ( 0.000 5.723 7.486) 9.423 30.199 ( 0.000 -13.021 1.696) 13.131 30.956 ( 0.000 -0.112 0.567) 0.578 30.958 ( 0.000 -0.260 0.591) 0.646 31.658 ( 0.000 -0.173 -1.789) 1.797 31.665 ( 0.000 -0.952 -2.034) 2.246 34.483 ( 0.000 6.419 5.624) 8.534 34.616 ( 0.000 -6.540 5.600) 8.610 35.082 ( 0.000 10.437 -4.184) 11.244 35.314 ( 0.000 -12.295 -6.410) 13.865 36.728 ( 0.000 10.700 0.187) 10.702 36.891 ( 0.000 -4.419 -3.424) 5.591 37.086 ( 0.000 2.527 -7.653) 8.060 37.139 ( 0.000 -2.195 -5.861) 6.259 38.397 ( 0.000 7.441 11.393) 13.608 38.572 ( 0.000 -10.204 16.789) 19.647 38.841 ( 0.000 8.763 -0.283) 8.767 39.015 ( 0.000 -8.233 0.561) 8.252 40.080 ( 0.000 2.025 5.917) 6.254 40.127 ( 0.000 -2.502 6.055) 6.551 41.125 ( 0.000 5.942 -8.811) 10.628 41.253 ( 0.000 -6.624 -10.851) 12.713 42.696 ( 0.000 1.094 6.875) 6.961 42.723 ( 0.000 -1.614 7.259) 7.436 42.921 ( 0.000 -0.428 2.896) 2.927 42.924 ( 0.000 -0.732 2.405) 2.514 43.568 ( 0.000 1.055 5.138) 5.245 43.630 ( 0.000 -4.513 0.281) 4.521 43.768 ( 0.000 4.759 -2.179) 5.234 43.892 ( 0.000 -7.563 -2.153) 7.864 90.339 ( 0.000 0.992 0.231) 1.018 90.350 ( 0.000 0.007 -0.082) 0.082 90.453 ( 0.000 2.414 -0.095) 2.416 90.498 ( 0.000 -1.959 -1.556) 2.501 94.078 ( 0.000 8.204 0.192) 8.206 94.211 ( 0.000 -3.869 -4.339) 5.814 94.511 ( 0.000 -4.871 7.454) 8.904 94.523 ( 0.000 -5.342 7.276) 9.026 ======================= Grid point 71 (30/48) ======================= q-point: ( 0.17 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 14.487 18.017 17.818) 29.188 2.118 ( 18.589 2.619 10.307) 21.416 2.188 ( 3.660 -2.099 10.529) 11.343 2.508 ( 10.298 -15.474 2.320) 18.732 2.902 ( 5.770 7.952 -1.961) 10.018 2.979 ( 0.493 2.529 -3.566) 4.399 3.109 ( 8.626 12.922 4.211) 16.097 3.169 ( -2.761 6.097 3.103) 7.377 3.238 ( -2.656 4.788 0.138) 5.477 3.417 ( -1.392 2.228 -3.001) 3.989 3.461 ( -0.844 8.071 2.173) 8.401 3.549 ( 3.026 7.211 2.872) 8.331 3.692 ( 0.468 5.974 0.860) 6.054 3.717 ( 2.055 -7.206 2.954) 8.055 3.823 ( -3.302 -2.487 3.504) 5.419 3.858 ( -0.667 -6.478 1.355) 6.652 3.912 ( 1.798 -2.066 2.035) 3.412 4.022 ( 1.136 -3.256 -1.657) 3.826 4.061 ( -8.695 -2.893 -0.624) 9.185 4.123 ( 1.766 -7.155 2.832) 7.895 4.219 ( -4.095 -1.022 -3.547) 5.513 4.267 ( -3.873 -4.268 -2.941) 6.471 4.510 ( 0.464 1.382 -8.912) 9.031 4.535 ( -4.007 0.836 -7.121) 8.213 4.609 ( -1.141 1.051 -1.856) 2.419 4.684 ( -7.695 -3.831 2.489) 8.949 4.856 ( 4.703 4.077 3.275) 7.033 4.926 ( 1.501 -2.357 2.234) 3.578 4.979 ( 4.043 1.541 -0.850) 4.409 4.994 ( 6.680 0.560 -0.076) 6.703 5.080 ( -4.513 4.965 -1.510) 6.877 5.201 ( 0.106 -5.187 -2.343) 5.693 5.358 ( 8.879 3.439 3.180) 10.038 5.386 ( 12.507 1.044 -1.018) 12.592 5.411 ( 7.563 4.673 2.570) 9.254 5.501 ( 4.048 -1.552 3.137) 5.352 5.581 ( 2.375 -0.265 0.646) 2.475 5.614 ( 6.149 -0.139 0.324) 6.159 5.674 ( 4.929 1.421 -0.698) 5.177 5.698 ( 5.351 0.238 4.278) 6.855 5.722 ( 9.426 2.202 -2.055) 9.895 5.754 ( 0.335 0.364 0.306) 0.582 5.832 ( 5.475 -2.305 -1.293) 6.079 5.876 ( 7.354 -8.584 -2.242) 11.524 6.095 ( -3.077 5.076 -2.279) 6.358 6.183 ( -1.218 -0.095 0.615) 1.368 6.197 ( -6.095 -0.067 -2.489) 6.584 6.250 ( -1.824 -0.258 -5.128) 5.449 6.327 ( -3.277 7.980 -5.817) 10.405 6.445 ( -2.970 2.301 -5.820) 6.927 6.498 ( -5.863 -3.165 -1.121) 6.756 6.519 ( 1.300 -1.447 -0.939) 2.160 6.630 ( 1.236 7.838 -2.504) 8.321 6.747 ( -4.322 -3.275 -3.696) 6.563 6.869 ( 2.647 3.634 -1.256) 4.668 6.888 ( 0.368 1.085 -3.377) 3.566 6.950 ( -2.379 2.326 0.161) 3.330 6.995 ( 2.950 -1.539 0.951) 3.461 7.120 ( -3.329 3.455 0.579) 4.833 7.168 ( -5.607 0.906 5.850) 8.154 7.231 ( 0.006 0.480 1.210) 1.302 7.242 ( -2.818 0.939 2.602) 3.949 7.352 ( 1.429 7.296 3.221) 8.103 7.390 ( -0.515 8.573 -0.039) 8.588 7.471 ( 1.449 -4.107 4.595) 6.331 7.637 ( 2.465 -10.142 -2.878) 10.827 7.731 ( 5.337 -0.128 0.489) 5.361 7.760 ( 4.696 -2.065 -1.063) 5.239 7.929 ( -1.270 -0.674 -8.393) 8.516 8.081 ( -3.726 -10.577 -11.363) 15.965 8.314 ( -4.948 -1.310 4.827) 7.035 8.420 ( -6.770 -10.909 2.654) 13.110 10.362 ( -0.790 2.949 -1.601) 3.448 10.421 ( -0.830 -2.853 -1.993) 3.577 10.579 ( -0.603 1.226 -1.958) 2.388 10.608 ( -1.253 -1.639 -2.872) 3.536 11.069 ( 3.649 0.317 0.197) 3.668 11.076 ( 3.912 -0.362 0.046) 3.929 11.225 ( 0.284 0.176 -0.406) 0.526 11.228 ( 0.408 -0.048 -0.431) 0.595 11.294 ( -0.812 0.275 2.587) 2.726 11.308 ( -0.705 -1.012 2.616) 2.892 11.472 ( -2.364 1.286 1.252) 2.968 11.493 ( -2.568 -0.836 0.688) 2.787 12.324 ( -0.452 0.981 -4.362) 4.493 12.344 ( 0.120 -1.018 -4.548) 4.662 12.879 ( -10.587 0.032 6.755) 12.559 12.884 ( -9.984 -0.379 6.164) 11.739 13.810 ( 6.849 0.604 0.772) 6.919 13.823 ( 6.634 -0.655 0.181) 6.669 13.936 ( 6.346 0.780 0.565) 6.418 13.952 ( 6.209 -0.846 0.179) 6.269 15.316 ( -2.574 1.580 0.879) 3.146 15.349 ( -2.661 -1.686 -0.061) 3.151 15.656 ( -0.270 1.151 1.483) 1.897 15.677 ( -0.302 -0.808 1.059) 1.366 15.708 ( -0.556 1.526 0.993) 1.904 15.732 ( -0.499 -0.720 0.443) 0.981 15.987 ( -11.851 0.836 5.924) 13.275 16.000 ( -11.848 -0.384 5.392) 13.023 17.976 ( 3.295 0.614 -2.439) 4.145 17.988 ( 3.222 -0.626 -2.442) 4.091 18.140 ( 0.575 0.324 4.067) 4.120 18.147 ( 0.529 -0.333 3.659) 3.712 18.911 ( -0.476 1.358 -1.023) 1.766 18.932 ( -0.692 -0.762 -1.414) 1.749 19.096 ( -3.434 0.846 -1.771) 3.955 19.107 ( -3.634 -0.323 -1.946) 4.135 20.141 ( 0.705 5.409 -0.023) 5.455 20.157 ( 0.310 5.297 -0.425) 5.323 20.256 ( 0.682 -4.896 0.351) 4.956 20.270 ( 0.359 -4.810 -0.017) 4.824 20.878 ( -0.563 9.237 0.638) 9.277 20.994 ( -3.359 5.992 -2.649) 7.362 21.063 ( -1.507 -7.007 0.741) 7.206 21.131 ( -2.603 -5.675 -1.044) 6.330 21.792 ( -0.585 0.122 0.132) 0.612 21.795 ( -0.513 -0.117 0.137) 0.543 21.796 ( -0.678 0.049 0.086) 0.685 21.797 ( -0.638 -0.051 0.070) 0.644 25.163 ( -0.974 -0.389 -0.103) 1.054 25.169 ( -0.631 -1.005 -0.225) 1.207 25.285 ( -2.682 0.790 0.026) 2.796 25.318 ( -2.816 -2.460 -0.445) 3.766 25.862 ( 0.608 2.737 0.421) 2.835 25.893 ( 0.328 3.261 -0.550) 3.323 25.926 ( 0.606 -3.409 0.482) 3.496 25.967 ( 0.329 -3.909 -0.709) 3.986 27.237 ( 3.951 0.278 0.190) 3.966 27.245 ( 4.175 -0.499 0.002) 4.205 27.512 ( -2.469 2.069 1.501) 3.553 27.548 ( -2.591 -1.481 0.737) 3.074 28.091 ( 1.128 0.565 0.501) 1.358 28.093 ( 1.168 0.434 0.417) 1.314 28.308 ( -2.283 3.507 -2.478) 4.863 28.353 ( -3.782 -0.592 -4.643) 6.018 28.646 ( 5.432 5.050 -1.133) 7.502 28.747 ( 6.221 -4.605 -3.920) 8.676 28.925 ( -0.360 4.116 0.410) 4.152 29.031 ( 1.263 -6.117 -2.618) 6.773 29.668 ( 2.558 4.344 1.768) 5.342 29.763 ( 2.876 -4.954 -0.254) 5.734 29.973 ( -3.321 5.427 6.738) 9.267 30.154 ( -4.557 -12.016 1.403) 12.927 31.025 ( 7.318 0.627 0.746) 7.383 31.044 ( 8.354 -1.292 0.350) 8.460 31.632 ( -2.751 0.071 -1.195) 3.000 31.646 ( -2.180 -1.344 -1.588) 3.013 34.551 ( 6.799 7.606 4.441) 11.127 34.717 ( 9.760 -8.706 3.324) 13.494 35.066 ( -1.800 10.428 -3.634) 11.188 35.302 ( -1.396 -12.636 -6.014) 14.063 36.725 ( -0.205 10.632 0.048) 10.634 36.879 ( -1.260 -2.556 -4.121) 5.010 37.025 ( -5.442 1.846 -4.357) 7.212 37.096 ( -4.208 -3.405 -4.716) 7.179 38.400 ( 0.803 6.472 9.256) 11.323 38.542 ( -1.571 -7.549 13.128) 15.225 38.794 ( -4.738 8.530 -0.710) 9.783 38.963 ( -5.564 -8.145 -0.078) 9.865 40.285 ( 15.920 0.640 5.517) 16.861 40.328 ( 22.315 -4.000 3.975) 23.017 41.140 ( 0.951 5.952 -6.552) 8.903 41.273 ( 1.527 -7.077 -9.173) 11.686 42.717 ( 2.094 0.800 6.212) 6.604 42.741 ( 1.805 -1.540 6.702) 7.110 42.903 ( -1.644 -0.339 2.949) 3.393 42.912 ( -1.425 -1.217 3.050) 3.580 43.563 ( -0.323 1.750 3.820) 4.215 43.636 ( 0.563 -5.080 0.091) 5.112 43.740 ( -2.851 4.462 -2.029) 5.671 43.857 ( -3.522 -7.202 -2.148) 8.299 90.346 ( 0.660 1.049 0.202) 1.256 90.357 ( 0.733 0.006 -0.119) 0.742 90.444 ( -0.931 2.191 -0.055) 2.381 90.483 ( -1.533 -1.510 -1.264) 2.495 94.107 ( 2.952 8.691 0.473) 9.191 94.235 ( 2.132 -1.911 -4.044) 4.955 94.498 ( -1.236 -6.602 7.006) 9.705 94.517 ( -0.707 -6.443 5.653) 8.601 ======================= Grid point 72 (31/48) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 22.405 12.303 9.798) 27.374 2.318 ( 10.778 5.484 3.348) 12.548 2.490 ( 18.756 -1.050 8.617) 20.667 2.689 ( 5.249 -9.129 -1.692) 10.666 2.962 ( -1.232 3.545 4.476) 5.841 3.008 ( -11.075 4.269 2.442) 12.118 3.065 ( 4.624 2.561 0.583) 5.318 3.091 ( -5.756 3.401 -1.576) 6.869 3.267 ( 4.536 11.550 1.123) 12.459 3.436 ( -2.448 -2.301 -5.641) 6.566 3.504 ( -0.144 2.484 3.094) 3.971 3.560 ( 1.405 1.672 -1.119) 2.454 3.608 ( -3.725 4.102 -0.822) 5.602 3.707 ( -3.703 -0.576 5.024) 6.267 3.743 ( -1.194 4.333 -3.730) 5.841 3.840 ( -0.399 0.702 -6.710) 6.759 3.970 ( 0.957 -4.453 -4.076) 6.112 3.995 ( 0.539 -7.571 1.161) 7.678 4.046 ( 3.466 1.859 5.459) 6.728 4.118 ( -3.835 -3.488 -0.996) 5.278 4.167 ( -0.539 -6.027 5.022) 7.864 4.184 ( -4.502 -7.141 0.257) 8.445 4.369 ( -9.768 2.955 7.465) 12.644 4.471 ( -11.646 -6.023 6.239) 14.519 4.626 ( 7.328 3.081 -11.308) 13.823 4.697 ( 9.871 -3.564 -12.316) 16.181 4.955 ( -4.034 10.303 -1.541) 11.172 4.993 ( 5.215 1.802 1.722) 5.780 5.017 ( 6.698 1.011 1.432) 6.923 5.106 ( 7.261 -1.030 3.937) 8.324 5.134 ( 3.907 1.662 1.321) 4.446 5.217 ( 4.345 -4.402 -1.713) 6.418 5.441 ( 1.655 5.400 3.170) 6.477 5.513 ( 0.324 2.128 -0.911) 2.337 5.553 ( 1.924 -0.825 -1.634) 2.656 5.588 ( 2.497 1.029 -2.802) 3.892 5.633 ( 6.548 1.453 1.584) 6.892 5.738 ( 4.795 -3.252 1.271) 5.932 5.771 ( 6.020 4.906 4.530) 8.991 5.789 ( 7.545 1.623 -0.651) 7.745 5.843 ( 6.260 -1.209 -0.943) 6.445 5.864 ( 6.414 2.567 -0.076) 6.910 5.985 ( 4.988 -1.395 0.784) 5.239 6.017 ( 8.048 2.661 0.649) 8.501 6.039 ( -1.376 3.901 -0.143) 4.139 6.111 ( -2.454 2.559 0.162) 3.549 6.168 ( -1.792 -2.058 -0.623) 2.799 6.215 ( -3.554 -1.578 -3.367) 5.144 6.295 ( -2.755 1.026 0.583) 2.997 6.357 ( -6.439 0.340 0.677) 6.484 6.465 ( 2.112 0.584 -6.902) 7.241 6.536 ( -13.875 0.764 -1.801) 14.012 6.563 ( 5.513 -4.032 -5.561) 8.808 6.588 ( -2.257 -2.664 -4.837) 5.965 6.833 ( -3.417 4.035 2.529) 5.861 6.902 ( -2.786 -1.206 -1.841) 3.550 6.973 ( 3.748 6.048 -0.476) 7.131 7.062 ( 1.920 -0.444 -0.957) 2.191 7.104 ( 1.876 2.239 5.361) 6.105 7.109 ( -0.055 1.110 -0.851) 1.400 7.196 ( -0.481 0.738 0.455) 0.992 7.265 ( 3.821 -3.525 2.343) 5.703 7.345 ( -1.251 6.385 2.628) 7.017 7.450 ( 5.133 11.503 -3.516) 13.078 7.472 ( -0.840 -3.791 2.985) 4.898 7.699 ( 3.804 -9.157 -4.417) 10.855 7.734 ( -5.440 6.754 -4.325) 9.691 7.878 ( 4.667 5.089 -0.269) 6.910 7.891 ( -2.002 -8.636 -6.564) 11.031 8.025 ( -0.339 -6.977 -5.031) 8.608 8.203 ( -5.670 -6.994 4.933) 10.267 8.285 ( -6.789 -12.602 2.562) 14.542 10.366 ( 1.785 2.448 -1.305) 3.299 10.415 ( 0.728 -2.401 -0.820) 2.640 10.542 ( -3.524 0.381 -0.461) 3.574 10.553 ( -4.725 -0.713 -1.238) 4.936 11.152 ( 4.599 0.464 -0.204) 4.626 11.161 ( 4.419 -0.407 -0.510) 4.466 11.223 ( -0.380 0.520 -0.210) 0.678 11.230 ( -0.319 -0.066 -0.441) 0.548 11.286 ( 0.620 -0.001 1.920) 2.017 11.299 ( 0.063 -1.091 1.888) 2.182 11.410 ( -4.113 1.011 1.726) 4.573 11.426 ( -4.439 -0.583 1.098) 4.610 12.336 ( 2.423 1.488 -3.062) 4.179 12.367 ( 2.855 -1.526 -3.433) 4.719 12.643 ( -13.011 0.743 2.993) 13.372 12.664 ( -12.136 -1.216 2.228) 12.399 13.975 ( 9.562 0.377 0.308) 9.574 13.983 ( 9.306 -0.454 -0.209) 9.319 14.069 ( 6.345 0.514 0.263) 6.371 14.081 ( 5.951 -0.663 -0.143) 5.989 15.280 ( 0.199 1.333 2.839) 3.143 15.309 ( -0.187 -1.501 2.099) 2.587 15.620 ( -7.724 0.437 5.157) 9.297 15.634 ( -8.269 -0.943 4.619) 9.519 15.695 ( -0.780 1.754 0.585) 2.007 15.719 ( -1.522 -0.329 0.569) 1.658 15.737 ( -8.668 0.821 1.761) 8.883 15.753 ( -8.414 -0.444 1.524) 8.562 18.049 ( 4.072 0.543 -0.642) 4.158 18.060 ( 3.935 -0.501 -0.679) 4.025 18.143 ( -0.517 0.295 2.990) 3.049 18.150 ( -0.478 -0.342 2.645) 2.710 18.910 ( 0.707 1.029 -1.526) 1.971 18.925 ( 0.212 -0.429 -1.760) 1.824 19.018 ( -4.344 0.546 -1.924) 4.782 19.024 ( -4.784 -0.036 -2.016) 5.191 20.155 ( 0.741 5.741 -0.052) 5.789 20.163 ( 0.282 5.760 -0.214) 5.771 20.270 ( 0.728 -5.151 0.098) 5.203 20.277 ( 0.311 -5.062 -0.055) 5.072 20.868 ( -0.275 8.910 0.347) 8.921 20.923 ( -3.557 8.275 -1.040) 9.067 21.041 ( -0.766 -7.897 0.399) 7.944 21.077 ( -2.730 -6.848 -0.472) 7.387 21.781 ( -0.515 0.174 0.083) 0.550 21.783 ( -0.610 0.087 0.057) 0.619 21.785 ( -0.502 -0.152 0.113) 0.537 21.785 ( -0.551 -0.111 0.079) 0.568 25.151 ( -0.001 0.126 -0.485) 0.502 25.165 ( 0.430 -1.188 -0.565) 1.384 25.224 ( -3.387 0.664 -0.329) 3.468 25.254 ( -3.700 -2.172 -0.592) 4.331 25.876 ( 0.829 2.840 0.277) 2.971 25.896 ( -0.034 3.248 -0.343) 3.267 25.940 ( 0.890 -3.409 0.275) 3.534 25.968 ( -0.290 -3.723 -0.512) 3.769 27.323 ( 4.609 0.438 0.688) 4.680 27.335 ( 4.976 -0.727 0.388) 5.044 27.459 ( -2.983 1.659 1.369) 3.678 27.490 ( -3.378 -1.403 0.715) 3.727 28.124 ( 2.407 0.884 0.298) 2.581 28.126 ( 2.380 0.702 0.171) 2.487 28.251 ( -3.532 2.062 -1.354) 4.308 28.268 ( -4.779 0.607 -1.897) 5.177 28.766 ( 6.469 5.928 -1.431) 8.890 28.869 ( 4.764 -0.985 -3.946) 6.264 28.930 ( 1.366 0.109 -0.347) 1.413 29.037 ( -0.768 -7.181 -3.455) 8.006 29.726 ( 3.498 4.786 2.215) 6.329 29.832 ( 4.341 -5.463 -0.101) 6.978 29.893 ( -4.784 4.918 5.136) 8.571 30.047 ( -6.361 -9.748 0.888) 11.673 31.203 ( 10.745 1.144 0.817) 10.837 31.237 ( 11.166 -2.234 0.082) 11.387 31.549 ( -6.212 0.526 -0.098) 6.235 31.575 ( -5.597 -2.010 -0.751) 5.995 34.712 ( 9.562 9.809 1.821) 13.819 34.926 ( 10.195 -8.504 -1.559) 13.368 35.013 ( -2.971 7.142 -1.327) 7.849 35.252 ( -4.234 -13.426 -4.863) 14.894 36.728 ( 0.828 10.501 -0.415) 10.542 36.835 ( -3.724 6.346 -4.570) 8.662 36.939 ( -2.313 -5.213 -0.118) 5.704 37.007 ( -4.610 -5.724 -2.746) 7.846 38.443 ( 3.912 5.608 5.057) 8.504 38.557 ( 3.449 -5.552 6.670) 9.338 38.678 ( -7.116 7.301 -0.395) 10.203 38.823 ( -8.635 -6.957 -0.189) 11.090 40.633 ( 19.294 5.267 4.050) 20.406 40.779 ( 22.505 -9.126 -0.159) 24.285 41.122 ( -3.789 5.558 -1.717) 6.943 41.272 ( -2.793 -8.743 -5.682) 10.795 42.764 ( 2.656 0.533 4.992) 5.679 42.784 ( 2.464 -1.225 5.178) 5.864 42.867 ( -2.069 -0.900 3.796) 4.416 42.878 ( -1.926 -1.908 3.641) 4.539 43.567 ( 0.997 2.592 1.417) 3.118 43.652 ( 1.275 -5.561 -0.754) 5.755 43.673 ( -3.878 3.523 -1.516) 5.454 43.774 ( -4.822 -6.408 -2.016) 8.269 90.363 ( 1.214 1.227 0.123) 1.731 90.377 ( 1.347 0.057 -0.251) 1.371 90.421 ( -1.438 1.639 0.051) 2.181 90.447 ( -2.076 -0.792 -0.734) 2.340 94.177 ( 4.142 9.667 1.067) 10.571 94.268 ( 0.695 4.676 -1.900) 5.095 94.475 ( -0.836 -11.403 4.315) 12.221 94.498 ( -1.222 -9.595 3.004) 10.129 ======================= Grid point 73 (32/48) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -17.076 5.761 -0.151) 18.022 2.533 ( 17.076 5.761 -0.151) 18.022 2.583 ( -14.675 3.913 -2.423) 15.379 2.583 ( 14.675 3.913 -2.423) 15.380 2.924 ( -9.420 5.256 8.143) 13.515 2.924 ( 9.420 5.256 8.143) 13.515 3.072 ( -8.858 -5.539 4.921) 11.548 3.072 ( 8.858 -5.539 4.921) 11.548 3.375 ( -8.617 7.437 -0.723) 11.405 3.375 ( 8.617 7.437 -0.723) 11.405 3.443 ( -6.910 0.992 -1.519) 7.144 3.443 ( 6.910 0.992 -1.519) 7.144 3.689 ( -1.714 2.438 0.287) 2.994 3.689 ( 1.714 2.438 0.287) 2.994 3.788 ( -7.317 -5.428 -6.597) 11.248 3.788 ( 7.317 -5.428 -6.597) 11.248 3.980 ( -2.372 1.995 -1.802) 3.586 3.980 ( 2.372 1.995 -1.802) 3.586 4.102 ( -3.685 -8.509 1.249) 9.356 4.102 ( 3.685 -8.509 1.249) 9.356 4.173 ( -8.395 1.054 6.802) 10.856 4.173 ( 8.395 1.054 6.802) 10.856 4.249 ( -9.469 -5.867 6.570) 12.933 4.249 ( 9.469 -5.867 6.570) 12.933 4.801 ( -9.160 7.669 -9.066) 14.997 4.801 ( 9.160 7.669 -9.066) 14.997 4.924 ( -9.074 -3.661 -8.756) 13.130 4.924 ( 9.074 -3.661 -8.756) 13.130 5.145 ( -3.078 4.543 3.998) 6.789 5.145 ( 3.078 4.543 3.998) 6.789 5.259 ( -5.113 -4.945 5.240) 8.835 5.259 ( 5.113 -4.945 5.240) 8.835 5.467 ( -3.590 9.693 -0.959) 10.381 5.467 ( 3.590 9.693 -0.959) 10.381 5.577 ( -3.358 0.141 -1.521) 3.690 5.577 ( 3.358 0.141 -1.521) 3.690 5.768 ( -4.918 1.182 -1.735) 5.347 5.768 ( 4.918 1.182 -1.735) 5.347 5.823 ( -0.641 -2.970 0.200) 3.045 5.823 ( 0.641 -2.970 0.200) 3.045 5.930 ( -5.524 8.920 2.202) 10.720 5.930 ( 5.524 8.920 2.202) 10.720 6.073 ( -2.619 1.075 0.880) 2.965 6.073 ( 2.619 1.075 0.880) 2.965 6.116 ( -3.821 -2.307 2.467) 5.100 6.116 ( 3.821 -2.307 2.467) 5.100 6.174 ( -3.076 -4.038 0.708) 5.125 6.174 ( 3.076 -4.038 0.708) 5.125 6.248 ( -10.567 3.588 -1.289) 11.234 6.248 ( 10.567 3.588 -1.289) 11.234 6.324 ( -5.838 -3.087 0.084) 6.604 6.324 ( 5.838 -3.087 0.084) 6.604 6.721 ( -9.195 1.573 -4.055) 10.172 6.721 ( 9.195 1.573 -4.055) 10.172 6.774 ( -10.266 -2.906 -2.172) 10.888 6.774 ( 10.266 -2.906 -2.172) 10.888 7.041 ( -2.695 5.228 -0.315) 5.890 7.041 ( 2.695 5.228 -0.315) 5.890 7.122 ( -1.759 -2.610 -0.859) 3.262 7.122 ( 1.759 -2.610 -0.859) 3.262 7.271 ( -6.373 6.600 0.585) 9.194 7.271 ( 6.373 6.600 0.585) 9.194 7.397 ( -7.250 -5.533 2.292) 9.404 7.397 ( 7.250 -5.533 2.292) 9.404 7.578 ( -8.238 11.706 -4.325) 14.953 7.578 ( 8.238 11.706 -4.325) 14.953 7.790 ( -5.334 -6.562 -5.880) 10.300 7.790 ( 5.334 -6.562 -5.880) 10.300 7.995 ( -4.817 0.122 1.315) 4.994 7.995 ( 4.817 0.122 1.315) 4.994 8.179 ( -3.740 -14.197 1.511) 14.758 8.179 ( 3.740 -14.197 1.511) 14.758 10.439 ( -5.112 1.189 -0.242) 5.254 10.439 ( 5.112 1.189 -0.242) 5.254 10.465 ( -3.411 -1.376 0.042) 3.678 10.465 ( 3.411 -1.376 0.042) 3.678 11.209 ( -0.484 0.466 -0.476) 0.824 11.209 ( 0.484 0.466 -0.476) 0.824 11.218 ( -0.152 -0.358 -1.216) 1.277 11.218 ( 0.152 -0.358 -1.216) 1.277 11.330 ( -3.019 0.317 2.227) 3.765 11.330 ( 3.019 0.317 2.227) 3.765 11.338 ( -3.851 -0.482 1.698) 4.236 11.338 ( 3.851 -0.482 1.698) 4.236 12.430 ( -6.313 2.012 -1.179) 6.730 12.430 ( 6.313 2.012 -1.179) 6.730 12.474 ( -6.019 -2.273 -0.885) 6.495 12.474 ( 6.019 -2.273 -0.885) 6.495 14.109 ( -2.762 0.189 -0.102) 2.770 14.109 ( 2.762 0.189 -0.102) 2.770 14.115 ( -2.859 -0.329 -0.401) 2.906 14.115 ( 2.859 -0.329 -0.401) 2.906 15.375 ( -7.255 1.326 5.107) 8.971 15.375 ( 7.255 1.326 5.107) 8.971 15.406 ( -6.811 -1.771 5.036) 8.654 15.406 ( 6.811 -1.771 5.036) 8.654 15.687 ( -0.193 1.769 0.241) 1.796 15.687 ( 0.193 1.769 0.241) 1.796 15.714 ( -0.208 -0.864 0.145) 0.901 15.714 ( 0.208 -0.864 0.145) 0.901 18.114 ( -2.319 0.461 1.422) 2.759 18.114 ( 2.319 0.461 1.422) 2.759 18.123 ( -2.199 -0.438 1.138) 2.514 18.123 ( 2.199 -0.438 1.138) 2.514 18.946 ( -2.951 0.501 -1.943) 3.568 18.946 ( 2.951 0.501 -1.943) 3.568 18.950 ( -2.363 0.045 -1.969) 3.076 18.950 ( 2.363 0.045 -1.969) 3.076 20.165 ( -0.194 5.975 -0.072) 5.979 20.165 ( 0.194 5.975 -0.072) 5.979 20.279 ( -0.189 -5.243 -0.060) 5.247 20.279 ( 0.189 -5.243 -0.060) 5.247 20.876 ( -1.341 8.666 -0.102) 8.770 20.876 ( 1.341 8.666 -0.102) 8.770 21.041 ( -0.926 -7.580 0.002) 7.637 21.041 ( 0.926 -7.580 0.002) 7.637 21.776 ( -0.045 0.164 0.063) 0.181 21.776 ( 0.045 0.164 0.063) 0.181 21.779 ( -0.007 -0.163 0.076) 0.179 21.779 ( 0.007 -0.163 0.076) 0.179 25.170 ( -1.908 0.590 -0.711) 2.120 25.170 ( 1.908 0.590 -0.711) 2.120 25.193 ( -2.338 -1.784 -0.543) 2.991 25.193 ( 2.338 -1.784 -0.543) 2.991 25.890 ( -0.591 3.049 -0.010) 3.106 25.890 ( 0.591 3.049 -0.010) 3.106 25.957 ( -0.812 -3.501 -0.105) 3.596 25.957 ( 0.812 -3.501 -0.105) 3.596 27.399 ( -3.519 1.037 1.124) 3.837 27.399 ( 3.519 1.037 1.124) 3.837 27.421 ( -4.087 -1.114 0.637) 4.283 27.421 ( 4.087 -1.114 0.637) 4.283 28.174 ( -0.205 2.009 -0.774) 2.163 28.174 ( 0.205 2.009 -0.774) 2.163 28.193 ( -0.552 0.095 0.043) 0.562 28.193 ( 0.552 0.095 0.043) 0.562 28.864 ( -3.536 5.981 -1.552) 7.120 28.864 ( 3.536 5.981 -1.552) 7.120 28.997 ( -3.563 -7.056 -3.454) 8.626 28.997 ( 3.563 -7.056 -3.454) 8.626 29.801 ( -4.499 5.135 3.449) 7.649 29.801 ( 4.499 5.135 3.449) 7.649 29.930 ( -5.782 -7.472 0.444) 9.459 29.930 ( 5.782 -7.472 0.444) 9.459 31.396 ( -8.201 1.345 0.355) 8.318 31.396 ( 8.201 1.345 0.355) 8.318 31.437 ( -7.911 -2.725 0.065) 8.368 31.437 ( 7.911 -2.725 0.065) 8.368 34.881 ( -7.866 11.209 -0.945) 13.726 34.881 ( 7.866 11.209 -0.945) 13.726 35.135 ( -8.381 -13.929 -2.827) 16.500 35.135 ( 8.381 -13.929 -2.827) 16.500 36.764 ( -3.046 10.166 -1.725) 10.752 36.764 ( 3.046 10.166 -1.725) 10.752 36.941 ( -2.076 -7.424 -1.221) 7.805 36.941 ( 2.076 -7.424 -1.221) 7.805 38.544 ( -6.620 6.082 1.470) 9.109 38.544 ( 6.620 6.082 1.470) 9.109 38.665 ( -7.609 -5.802 2.006) 9.777 38.665 ( 7.609 -5.802 2.006) 9.777 40.944 ( -12.005 7.811 1.053) 14.361 40.944 ( 12.005 7.811 1.053) 14.361 41.136 ( -11.587 -11.377 -2.044) 16.367 41.136 ( 11.587 -11.377 -2.044) 16.367 42.806 ( -1.255 0.985 3.941) 4.251 42.806 ( 1.255 0.985 3.941) 4.251 42.846 ( -0.970 -3.020 4.469) 5.480 42.846 ( 0.970 -3.020 4.469) 5.480 43.605 ( -2.995 2.985 -0.480) 4.256 43.605 ( 2.995 2.985 -0.480) 4.256 43.694 ( -3.318 -5.907 -1.576) 6.956 43.694 ( 3.318 -5.907 -1.576) 6.956 90.389 ( -1.271 1.598 -0.086) 2.044 90.389 ( 1.271 1.598 -0.086) 2.044 90.410 ( -1.621 -0.467 -0.235) 1.703 90.410 ( 1.621 -0.467 -0.235) 1.703 94.247 ( -2.833 9.732 0.866) 10.173 94.247 ( 2.833 9.732 0.866) 10.173 94.476 ( -0.882 -13.085 1.809) 13.239 94.476 ( 0.882 -13.085 1.809) 13.239 ======================= Grid point 98 (33/48) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 0.000 0.000 18.630) 18.630 1.162 ( 0.000 0.000 -16.092) 16.092 1.826 ( 0.000 0.000 34.232) 34.232 2.291 ( 0.000 0.000 12.154) 12.154 2.636 ( 0.000 0.000 16.794) 16.794 2.794 ( 0.000 0.000 13.253) 13.253 3.031 ( 0.000 0.000 -9.145) 9.145 3.154 ( 0.000 0.000 9.633) 9.633 3.247 ( 0.000 0.000 -13.890) 13.890 3.356 ( 0.000 0.000 10.640) 10.640 3.398 ( 0.000 0.000 -12.167) 12.167 3.548 ( 0.000 0.000 -5.393) 5.393 3.767 ( 0.000 0.000 -1.798) 1.798 3.777 ( 0.000 0.000 -2.199) 2.199 3.938 ( 0.000 0.000 2.302) 2.302 3.999 ( 0.000 0.000 -3.287) 3.287 4.000 ( 0.000 0.000 4.245) 4.245 4.052 ( 0.000 0.000 10.066) 10.066 4.153 ( 0.000 0.000 -3.301) 3.301 4.268 ( 0.000 0.000 -7.563) 7.563 4.288 ( 0.000 0.000 3.354) 3.354 4.305 ( 0.000 0.000 1.788) 1.788 4.378 ( 0.000 0.000 -6.129) 6.129 4.397 ( 0.000 0.000 -7.206) 7.206 4.537 ( 0.000 0.000 -0.112) 0.112 4.625 ( 0.000 0.000 -7.980) 7.980 4.639 ( 0.000 0.000 -1.186) 1.186 4.699 ( 0.000 0.000 -8.251) 8.251 4.727 ( 0.000 0.000 3.887) 3.887 4.781 ( 0.000 0.000 -1.547) 1.547 5.053 ( 0.000 0.000 7.281) 7.281 5.150 ( 0.000 0.000 -2.172) 2.172 5.273 ( 0.000 0.000 -0.674) 0.674 5.282 ( 0.000 0.000 -2.085) 2.085 5.296 ( 0.000 0.000 7.831) 7.831 5.409 ( 0.000 0.000 3.809) 3.809 5.549 ( 0.000 0.000 -12.492) 12.492 5.571 ( 0.000 0.000 -10.036) 10.036 5.572 ( 0.000 0.000 10.534) 10.534 5.739 ( 0.000 0.000 3.634) 3.634 5.754 ( 0.000 0.000 -1.470) 1.470 5.793 ( 0.000 0.000 2.885) 2.885 5.799 ( 0.000 0.000 -4.836) 4.836 5.879 ( 0.000 0.000 -6.306) 6.306 5.883 ( 0.000 0.000 10.337) 10.337 6.023 ( 0.000 0.000 2.589) 2.589 6.087 ( 0.000 0.000 -3.683) 3.683 6.155 ( 0.000 0.000 -9.681) 9.681 6.314 ( 0.000 0.000 3.743) 3.743 6.395 ( 0.000 0.000 -2.705) 2.705 6.423 ( 0.000 0.000 2.165) 2.165 6.460 ( 0.000 0.000 3.643) 3.643 6.505 ( 0.000 0.000 -4.444) 4.444 6.542 ( 0.000 0.000 -3.552) 3.552 6.815 ( 0.000 0.000 0.104) 0.104 6.832 ( 0.000 0.000 -1.335) 1.335 6.899 ( 0.000 0.000 -1.718) 1.718 6.901 ( 0.000 0.000 -1.058) 1.058 6.922 ( 0.000 0.000 2.620) 2.620 6.963 ( 0.000 0.000 2.116) 2.116 6.970 ( 0.000 0.000 -1.904) 1.904 6.996 ( 0.000 0.000 -0.964) 0.964 7.474 ( 0.000 0.000 3.295) 3.295 7.553 ( 0.000 0.000 -1.571) 1.571 7.659 ( 0.000 0.000 3.271) 3.271 7.741 ( 0.000 0.000 2.542) 2.542 7.791 ( 0.000 0.000 -0.530) 0.530 7.811 ( 0.000 0.000 -5.477) 5.477 8.185 ( 0.000 0.000 5.142) 5.142 8.309 ( 0.000 0.000 -6.518) 6.518 8.822 ( 0.000 0.000 4.924) 4.924 8.915 ( 0.000 0.000 -3.773) 3.773 10.453 ( 0.000 0.000 5.801) 5.801 10.485 ( 0.000 0.000 -0.625) 0.625 10.502 ( 0.000 0.000 -1.433) 1.433 10.590 ( 0.000 0.000 -6.661) 6.661 11.027 ( 0.000 0.000 0.073) 0.073 11.034 ( 0.000 0.000 -0.587) 0.587 11.236 ( 0.000 0.000 1.336) 1.336 11.240 ( 0.000 0.000 0.835) 0.835 11.365 ( 0.000 0.000 1.623) 1.623 11.390 ( 0.000 0.000 -0.528) 0.528 11.467 ( 0.000 0.000 2.364) 2.364 11.513 ( 0.000 0.000 -1.926) 1.926 12.238 ( 0.000 0.000 -1.564) 1.564 12.263 ( 0.000 0.000 -3.571) 3.571 13.130 ( 0.000 0.000 6.232) 6.232 13.217 ( 0.000 0.000 -1.950) 1.950 13.756 ( 0.000 0.000 1.189) 1.189 13.777 ( 0.000 0.000 -0.918) 0.918 13.867 ( 0.000 0.000 1.827) 1.827 13.907 ( 0.000 0.000 -1.731) 1.731 15.345 ( 0.000 0.000 3.232) 3.232 15.400 ( 0.000 0.000 -1.997) 1.997 15.592 ( 0.000 0.000 -0.055) 0.055 15.592 ( 0.000 0.000 -0.081) 0.081 15.710 ( 0.000 0.000 0.531) 0.531 15.719 ( 0.000 0.000 -0.334) 0.334 16.218 ( 0.000 0.000 4.440) 4.440 16.229 ( 0.000 0.000 3.227) 3.227 17.896 ( 0.000 0.000 0.295) 0.295 17.926 ( 0.000 0.000 -2.385) 2.385 18.194 ( 0.000 0.000 2.136) 2.136 18.202 ( 0.000 0.000 1.168) 1.168 18.862 ( 0.000 0.000 1.211) 1.211 18.901 ( 0.000 0.000 -2.406) 2.406 19.060 ( 0.000 0.000 -0.170) 0.170 19.087 ( 0.000 0.000 -2.535) 2.535 19.933 ( 0.000 0.000 0.281) 0.281 19.940 ( 0.000 0.000 -0.343) 0.343 20.358 ( 0.000 0.000 0.131) 0.131 20.360 ( 0.000 0.000 -0.087) 0.087 20.552 ( 0.000 0.000 0.422) 0.422 20.561 ( 0.000 0.000 -0.396) 0.396 21.321 ( 0.000 0.000 0.028) 0.028 21.322 ( 0.000 0.000 -0.065) 0.065 21.800 ( 0.000 0.000 0.183) 0.183 21.802 ( 0.000 0.000 -0.002) 0.002 21.803 ( 0.000 0.000 0.052) 0.052 21.805 ( 0.000 0.000 -0.109) 0.109 25.210 ( 0.000 0.000 -0.862) 0.862 25.215 ( 0.000 0.000 -1.558) 1.558 25.508 ( 0.000 0.000 1.410) 1.410 25.554 ( 0.000 0.000 -2.709) 2.709 25.788 ( 0.000 0.000 0.152) 0.152 25.791 ( 0.000 0.000 -0.093) 0.093 26.081 ( 0.000 0.000 0.804) 0.804 26.099 ( 0.000 0.000 -0.848) 0.848 27.198 ( 0.000 0.000 0.100) 0.100 27.201 ( 0.000 0.000 -0.146) 0.146 27.518 ( 0.000 0.000 3.800) 3.800 27.583 ( 0.000 0.000 -2.122) 2.122 28.005 ( 0.000 0.000 -0.589) 0.589 28.006 ( 0.000 0.000 -0.695) 0.695 28.159 ( 0.000 0.000 0.763) 0.763 28.163 ( 0.000 0.000 0.427) 0.427 28.538 ( 0.000 0.000 3.221) 3.221 28.638 ( 0.000 0.000 -6.381) 6.381 28.953 ( 0.000 0.000 6.849) 6.849 29.096 ( 0.000 0.000 -6.033) 6.033 29.670 ( 0.000 0.000 7.371) 7.371 29.817 ( 0.000 0.000 -6.130) 6.130 30.761 ( 0.000 0.000 4.663) 4.663 30.831 ( 0.000 0.000 -1.837) 1.837 30.981 ( 0.000 0.000 0.299) 0.299 30.987 ( 0.000 0.000 -0.079) 0.079 31.704 ( 0.000 0.000 -0.527) 0.527 31.723 ( 0.000 0.000 -2.424) 2.424 34.400 ( 0.000 0.000 7.334) 7.334 34.554 ( 0.000 0.000 -6.932) 6.932 35.216 ( 0.000 0.000 15.216) 15.216 35.550 ( 0.000 0.000 -15.724) 15.724 36.195 ( 0.000 0.000 0.705) 0.705 36.205 ( 0.000 0.000 -0.162) 0.162 37.119 ( 0.000 0.000 0.720) 0.720 37.143 ( 0.000 0.000 -1.483) 1.483 38.283 ( 0.000 0.000 6.223) 6.223 38.406 ( 0.000 0.000 -5.133) 5.133 39.393 ( 0.000 0.000 6.263) 6.263 39.520 ( 0.000 0.000 -5.434) 5.434 40.184 ( 0.000 0.000 8.292) 8.292 40.309 ( 0.000 0.000 -1.242) 1.242 40.931 ( 0.000 0.000 4.659) 4.659 41.173 ( 0.000 0.000 -15.819) 15.819 42.777 ( 0.000 0.000 4.485) 4.485 42.851 ( 0.000 0.000 -1.790) 1.790 43.002 ( 0.000 0.000 3.630) 3.630 43.034 ( 0.000 0.000 1.302) 1.302 43.683 ( 0.000 0.000 2.238) 2.238 43.759 ( 0.000 0.000 -4.665) 4.665 44.400 ( 0.000 0.000 6.746) 6.746 44.555 ( 0.000 0.000 -7.496) 7.496 90.279 ( 0.000 0.000 0.365) 0.365 90.290 ( 0.000 0.000 -0.703) 0.703 90.379 ( 0.000 0.000 0.617) 0.617 90.387 ( 0.000 0.000 -0.148) 0.148 93.890 ( 0.000 0.000 6.252) 6.252 94.048 ( 0.000 0.000 -8.796) 8.796 95.238 ( 0.000 0.000 13.557) 13.557 95.497 ( 0.000 0.000 -10.755) 10.755 ======================= Grid point 99 (34/48) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 16.766 0.000 15.912) 23.115 1.292 ( 12.970 0.000 -14.688) 19.594 1.899 ( 11.024 0.000 40.010) 41.501 2.555 ( 20.866 0.000 -14.552) 25.439 2.761 ( -6.499 0.000 7.685) 10.065 2.872 ( -15.161 0.000 -2.401) 15.350 2.876 ( 22.590 0.000 22.806) 32.100 3.061 ( -7.647 0.000 9.518) 12.209 3.269 ( 0.861 0.000 -3.207) 3.321 3.329 ( -2.115 0.000 -12.850) 13.023 3.374 ( 2.190 0.000 1.363) 2.580 3.516 ( -3.755 0.000 -0.203) 3.761 3.689 ( -8.030 0.000 3.690) 8.837 3.829 ( -7.108 0.000 -7.555) 10.373 3.919 ( -5.382 0.000 4.805) 7.215 3.963 ( 7.555 0.000 0.711) 7.588 3.991 ( -7.041 0.000 -1.374) 7.174 3.997 ( 6.005 0.000 -2.589) 6.539 4.058 ( 1.187 0.000 3.148) 3.364 4.234 ( -1.887 0.000 -8.302) 8.514 4.288 ( 0.860 0.000 3.835) 3.930 4.359 ( 1.472 0.000 -2.474) 2.879 4.495 ( 5.903 0.000 -5.668) 8.183 4.569 ( 10.520 0.000 -7.094) 12.688 4.597 ( 6.488 0.000 2.245) 6.866 4.655 ( -0.373 0.000 -1.739) 1.779 4.685 ( 4.050 0.000 -5.122) 6.530 4.710 ( -1.515 0.000 3.740) 4.035 4.738 ( 6.378 0.000 -5.765) 8.597 4.765 ( -0.504 0.000 -1.277) 1.373 5.054 ( -1.550 0.000 4.046) 4.333 5.094 ( -4.237 0.000 0.203) 4.241 5.265 ( -0.589 0.000 1.804) 1.898 5.310 ( -1.313 0.000 7.350) 7.466 5.338 ( 6.177 0.000 -3.263) 6.986 5.431 ( 4.477 0.000 1.855) 4.846 5.554 ( -1.522 0.000 9.272) 9.396 5.617 ( 7.809 0.000 -7.424) 10.775 5.700 ( -1.884 0.000 0.099) 1.887 5.730 ( 15.129 0.000 -12.718) 19.764 5.742 ( 0.203 0.000 -0.846) 0.870 5.808 ( -1.811 0.000 -7.265) 7.488 5.873 ( 5.461 0.000 3.441) 6.455 5.908 ( 3.661 0.000 11.341) 11.917 5.926 ( 4.645 0.000 -1.222) 4.803 6.005 ( -0.349 0.000 1.778) 1.812 6.070 ( -1.249 0.000 -4.034) 4.223 6.090 ( -3.097 0.000 0.579) 3.150 6.202 ( -8.006 0.000 0.703) 8.037 6.337 ( -3.009 0.000 -8.731) 9.235 6.465 ( 0.181 0.000 3.108) 3.113 6.527 ( -1.362 0.000 -2.476) 2.826 6.626 ( 10.331 0.000 0.343) 10.337 6.639 ( 12.181 0.000 0.296) 12.184 6.759 ( -5.443 0.000 0.982) 5.531 6.792 ( -4.282 0.000 -1.976) 4.716 6.925 ( 1.597 0.000 3.043) 3.437 6.956 ( 2.386 0.000 2.025) 3.130 6.965 ( 1.010 0.000 2.746) 2.926 6.991 ( 1.061 0.000 -1.371) 1.734 7.000 ( 8.653 0.000 -2.041) 8.891 7.016 ( 2.483 0.000 -2.003) 3.190 7.349 ( -14.033 0.000 5.308) 15.003 7.477 ( -12.651 0.000 -3.262) 13.065 7.556 ( -5.474 0.000 -4.595) 7.146 7.574 ( -3.734 0.000 -1.896) 4.188 7.844 ( 4.021 0.000 3.875) 5.585 7.927 ( 3.787 0.000 -3.656) 5.264 8.218 ( 3.384 0.000 4.704) 5.795 8.331 ( 2.136 0.000 -5.883) 6.259 8.802 ( -2.019 0.000 4.546) 4.974 8.888 ( -2.738 0.000 -3.541) 4.476 10.377 ( -5.132 0.000 6.623) 8.379 10.493 ( -0.963 0.000 -2.620) 2.792 10.504 ( 0.379 0.000 -0.371) 0.530 10.568 ( -1.537 0.000 -5.711) 5.914 11.057 ( 3.080 0.000 0.177) 3.085 11.067 ( 3.306 0.000 -0.747) 3.389 11.252 ( 1.008 0.000 1.433) 1.752 11.256 ( 0.842 0.000 1.289) 1.539 11.364 ( 0.150 0.000 1.223) 1.232 11.384 ( -0.420 0.000 -0.438) 0.607 11.444 ( -2.335 0.000 2.232) 3.230 11.487 ( -2.702 0.000 -1.746) 3.217 12.234 ( -0.039 0.000 -0.448) 0.450 12.277 ( 1.256 0.000 -4.323) 4.502 13.007 ( -12.041 0.000 4.553) 12.873 13.061 ( -14.969 0.000 -0.184) 14.970 13.826 ( 6.934 0.000 0.812) 6.981 13.835 ( 6.337 0.000 -0.311) 6.345 13.940 ( 6.813 0.000 1.280) 6.932 13.969 ( 6.123 0.000 -1.374) 6.275 15.334 ( -0.822 0.000 3.855) 3.941 15.395 ( -0.593 0.000 -1.834) 1.928 15.592 ( 0.025 0.000 -0.054) 0.059 15.592 ( 0.029 0.000 -0.079) 0.084 15.711 ( 0.104 0.000 0.473) 0.484 15.719 ( -0.028 0.000 -0.278) 0.279 16.107 ( -11.320 0.000 4.335) 12.121 16.118 ( -11.297 0.000 3.137) 11.725 17.940 ( 4.386 0.000 0.470) 4.411 17.967 ( 4.118 0.000 -1.899) 4.534 18.199 ( 0.317 0.000 1.976) 2.002 18.211 ( 0.518 0.000 0.978) 1.107 18.851 ( -0.890 0.000 0.968) 1.315 18.889 ( -1.179 0.000 -2.403) 2.677 19.026 ( -3.313 0.000 -0.337) 3.330 19.050 ( -3.684 0.000 -2.387) 4.389 19.932 ( -0.107 0.000 0.244) 0.266 19.937 ( -0.201 0.000 -0.296) 0.358 20.360 ( 0.157 0.000 0.105) 0.188 20.361 ( 0.115 0.000 -0.074) 0.137 20.560 ( 0.768 0.000 0.374) 0.854 20.567 ( 0.655 0.000 -0.347) 0.741 21.311 ( -0.957 0.000 0.022) 0.957 21.312 ( -0.971 0.000 -0.059) 0.973 21.791 ( -0.769 0.000 0.179) 0.789 21.794 ( -0.744 0.000 -0.076) 0.748 21.798 ( -0.537 0.000 0.056) 0.540 21.800 ( -0.518 0.000 -0.077) 0.523 25.191 ( -1.674 0.000 -0.722) 1.823 25.198 ( -1.504 0.000 -1.436) 2.080 25.458 ( -5.144 0.000 1.523) 5.365 25.485 ( -5.764 0.000 -0.806) 5.820 25.791 ( 0.288 0.000 0.139) 0.319 25.793 ( 0.249 0.000 -0.070) 0.258 26.081 ( 0.008 0.000 0.693) 0.693 26.097 ( -0.236 0.000 -0.744) 0.781 27.246 ( 4.662 0.000 0.319) 4.673 27.257 ( 4.998 0.000 -0.772) 5.058 27.497 ( -1.909 0.000 3.704) 4.167 27.561 ( -2.117 0.000 -2.125) 3.000 28.006 ( 0.086 0.000 -0.578) 0.584 28.007 ( 0.111 0.000 -0.730) 0.738 28.157 ( -0.203 0.000 0.754) 0.781 28.160 ( -0.254 0.000 0.464) 0.529 28.554 ( 1.934 0.000 4.620) 5.009 28.675 ( 2.738 0.000 -6.826) 7.355 28.965 ( 1.881 0.000 5.366) 5.686 29.104 ( 0.463 0.000 -7.278) 7.293 29.703 ( 3.540 0.000 7.778) 8.546 29.851 ( 3.665 0.000 -5.939) 6.979 30.582 ( -15.115 0.000 8.461) 17.322 30.704 ( -11.932 0.000 -3.571) 12.455 31.065 ( 8.188 0.000 2.174) 8.471 31.110 ( 10.335 0.000 -2.000) 10.526 31.696 ( -1.273 0.000 0.458) 1.352 31.725 ( -0.644 0.000 -2.391) 2.477 34.429 ( 2.870 0.000 6.803) 7.384 34.577 ( 1.608 0.000 -7.019) 7.201 35.326 ( 9.825 0.000 7.815) 12.554 35.577 ( 2.522 0.000 -14.130) 14.353 36.196 ( 0.065 0.000 0.647) 0.650 36.204 ( -0.067 0.000 -0.105) 0.125 37.119 ( 0.045 0.000 0.574) 0.576 37.140 ( -0.292 0.000 -1.330) 1.362 38.288 ( 0.516 0.000 5.309) 5.334 38.393 ( -1.287 0.000 -4.426) 4.609 39.180 ( -17.400 0.000 8.172) 19.223 39.278 ( -14.273 0.000 -1.513) 14.353 40.463 ( 13.154 0.000 5.193) 14.142 40.553 ( 22.902 0.000 -5.603) 23.578 41.030 ( 10.297 0.000 2.794) 10.670 41.241 ( 6.691 0.000 -14.990) 16.415 42.801 ( 2.318 0.000 3.995) 4.619 42.868 ( 1.730 0.000 -1.502) 2.291 42.996 ( -0.485 0.000 3.778) 3.809 43.044 ( 0.818 0.000 0.138) 0.829 43.682 ( 0.088 0.000 3.029) 3.030 43.767 ( 0.812 0.000 -4.637) 4.708 44.321 ( -7.922 0.000 6.535) 10.269 44.444 ( -10.256 0.000 -4.335) 11.134 90.282 ( 0.333 0.000 0.323) 0.464 90.292 ( 0.240 0.000 -0.674) 0.716 90.377 ( -0.215 0.000 0.606) 0.643 90.384 ( -0.261 0.000 -0.128) 0.291 93.901 ( 1.126 0.000 5.469) 5.584 94.037 ( -1.205 0.000 -7.346) 7.444 95.204 ( -2.895 0.000 12.178) 12.518 95.420 ( -6.926 0.000 -7.856) 10.473 ======================= Grid point 100 (35/48) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 23.801 0.000 11.175) 26.294 1.601 ( 18.314 0.000 -11.477) 21.613 2.242 ( 23.490 0.000 30.634) 38.603 2.451 ( -22.393 0.000 4.562) 22.853 2.537 ( -19.960 0.000 -3.323) 20.234 2.894 ( 7.787 0.000 -27.672) 28.747 3.044 ( 4.928 0.000 13.185) 14.076 3.186 ( 7.445 0.000 12.759) 14.772 3.288 ( 3.956 0.000 11.907) 12.547 3.307 ( -2.695 0.000 -7.722) 8.179 3.408 ( -3.936 0.000 -2.456) 4.640 3.521 ( 12.483 0.000 -8.843) 15.298 3.531 ( -6.067 0.000 -0.431) 6.083 3.653 ( -8.667 0.000 -7.913) 11.735 3.823 ( -6.770 0.000 2.518) 7.223 3.918 ( -3.993 0.000 -0.953) 4.105 4.122 ( 6.700 0.000 -0.558) 6.723 4.130 ( 6.358 0.000 5.761) 8.580 4.137 ( 7.749 0.000 -1.574) 7.907 4.238 ( 0.797 0.000 -2.044) 2.194 4.300 ( 0.471 0.000 2.333) 2.380 4.358 ( -0.989 0.000 -3.009) 3.167 4.420 ( -7.878 0.000 -3.296) 8.540 4.551 ( -7.420 0.000 -14.843) 16.594 4.664 ( -1.682 0.000 2.090) 2.683 4.689 ( 0.731 0.000 3.544) 3.619 4.710 ( -2.290 0.000 -0.097) 2.292 4.777 ( -0.161 0.000 -2.860) 2.865 4.855 ( 16.967 0.000 6.601) 18.206 4.976 ( 14.999 0.000 -3.875) 15.492 5.020 ( 3.639 0.000 4.167) 5.532 5.103 ( 4.003 0.000 -1.628) 4.321 5.260 ( -0.318 0.000 7.727) 7.734 5.319 ( 3.512 0.000 8.591) 9.281 5.398 ( -3.769 0.000 -1.976) 4.256 5.543 ( 6.607 0.000 -7.838) 10.251 5.571 ( 4.297 0.000 2.173) 4.816 5.651 ( -0.658 0.000 0.108) 0.667 5.752 ( -0.671 0.000 -2.712) 2.794 5.756 ( -4.125 0.000 -6.645) 7.821 5.785 ( 5.459 0.000 8.007) 9.691 5.939 ( 1.559 0.000 3.605) 3.928 5.953 ( 5.545 0.000 -6.765) 8.747 5.976 ( -0.889 0.000 9.341) 9.383 5.991 ( 1.789 0.000 -0.646) 1.902 6.066 ( 5.262 0.000 0.078) 5.262 6.095 ( 5.935 0.000 -1.880) 6.226 6.135 ( 9.678 0.000 1.479) 9.791 6.184 ( 10.851 0.000 -3.141) 11.296 6.210 ( -9.225 0.000 -9.399) 13.170 6.454 ( -1.707 0.000 2.257) 2.830 6.494 ( -2.595 0.000 -1.584) 3.040 6.638 ( -6.101 0.000 2.061) 6.440 6.681 ( -6.610 0.000 -1.863) 6.867 6.689 ( -10.771 0.000 9.466) 14.340 6.841 ( 6.973 0.000 -1.039) 7.050 6.957 ( 6.102 0.000 -0.642) 6.135 6.984 ( 1.772 0.000 1.884) 2.586 7.005 ( 1.373 0.000 2.101) 2.510 7.024 ( 2.398 0.000 -1.342) 2.748 7.032 ( -19.070 0.000 -1.635) 19.139 7.057 ( 1.314 0.000 -2.030) 2.419 7.086 ( -1.664 0.000 3.422) 3.805 7.226 ( -4.751 0.000 -10.317) 11.359 7.580 ( 6.268 0.000 -0.700) 6.307 7.621 ( 7.545 0.000 -4.276) 8.673 7.855 ( -3.004 0.000 3.573) 4.668 7.945 ( -2.350 0.000 -5.031) 5.553 8.300 ( 4.911 0.000 3.262) 5.896 8.375 ( 1.963 0.000 -3.689) 4.179 8.760 ( -1.913 0.000 2.985) 3.545 8.820 ( -4.081 0.000 -2.661) 4.872 10.326 ( 0.587 0.000 5.504) 5.536 10.457 ( -2.015 0.000 -6.113) 6.437 10.508 ( -0.563 0.000 0.974) 1.124 10.536 ( -2.255 0.000 -1.676) 2.810 11.133 ( 4.611 0.000 0.234) 4.617 11.146 ( 4.659 0.000 -1.028) 4.771 11.249 ( -1.155 0.000 1.707) 2.061 11.252 ( -1.119 0.000 1.423) 1.811 11.375 ( 0.853 0.000 0.776) 1.153 11.385 ( 0.402 0.000 -0.120) 0.419 11.386 ( -3.548 0.000 1.848) 4.000 11.418 ( -4.406 0.000 -1.157) 4.556 12.254 ( 2.798 0.000 0.662) 2.875 12.312 ( 2.667 0.000 -4.483) 5.216 12.735 ( -15.899 0.000 1.823) 16.003 12.747 ( -15.121 0.000 0.652) 15.135 13.986 ( 9.180 0.000 0.516) 9.194 13.994 ( 9.211 0.000 -0.095) 9.212 14.079 ( 6.511 0.000 0.585) 6.537 14.095 ( 5.608 0.000 -0.829) 5.669 15.341 ( 2.566 0.000 4.646) 5.308 15.393 ( 1.401 0.000 -0.189) 1.413 15.593 ( 0.031 0.000 -0.054) 0.062 15.593 ( 0.024 0.000 -0.073) 0.077 15.713 ( 0.154 0.000 0.313) 0.349 15.718 ( -0.077 0.000 -0.121) 0.143 15.829 ( -16.755 0.000 4.352) 17.310 15.844 ( -16.412 0.000 2.728) 16.637 18.041 ( 5.837 0.000 1.039) 5.929 18.062 ( 5.418 0.000 -0.845) 5.483 18.193 ( -1.343 0.000 1.772) 2.223 18.204 ( -1.483 0.000 0.938) 1.754 18.843 ( 0.423 0.000 0.087) 0.432 18.870 ( -0.419 0.000 -2.263) 2.302 18.951 ( -4.242 0.000 -0.844) 4.325 18.964 ( -4.915 0.000 -1.981) 5.300 19.930 ( -0.068 0.000 0.139) 0.155 19.933 ( -0.231 0.000 -0.173) 0.289 20.363 ( 0.147 0.000 0.049) 0.155 20.364 ( 0.094 0.000 -0.043) 0.103 20.576 ( 0.873 0.000 0.229) 0.903 20.581 ( 0.655 0.000 -0.201) 0.685 21.291 ( -0.993 0.000 0.005) 0.993 21.292 ( -1.018 0.000 -0.042) 1.018 21.777 ( -0.622 0.000 0.134) 0.636 21.779 ( -0.697 0.000 -0.077) 0.701 21.787 ( -0.526 0.000 0.028) 0.527 21.789 ( -0.569 0.000 -0.112) 0.580 25.164 ( -0.862 0.000 -0.375) 0.940 25.174 ( -0.820 0.000 -1.356) 1.584 25.351 ( -4.825 0.000 2.132) 5.275 25.379 ( -5.201 0.000 -0.703) 5.248 25.797 ( 0.304 0.000 0.105) 0.321 25.798 ( 0.240 0.000 -0.013) 0.241 26.082 ( 0.099 0.000 0.385) 0.398 26.091 ( -0.336 0.000 -0.452) 0.563 27.343 ( 4.818 0.000 0.829) 4.889 27.358 ( 5.444 0.000 -0.562) 5.473 27.459 ( -2.092 0.000 3.216) 3.837 27.513 ( -2.849 0.000 -1.793) 3.367 28.008 ( 0.127 0.000 -0.610) 0.623 28.009 ( 0.083 0.000 -0.748) 0.753 28.153 ( -0.193 0.000 0.723) 0.749 28.155 ( -0.277 0.000 0.555) 0.620 28.607 ( 3.394 0.000 3.402) 4.805 28.701 ( -0.315 0.000 -4.828) 4.839 29.024 ( 3.868 0.000 0.714) 3.933 29.107 ( -0.287 0.000 -6.501) 6.507 29.803 ( 7.040 0.000 8.528) 11.059 29.947 ( 5.853 0.000 -4.825) 7.586 30.298 ( -13.095 0.000 9.593) 16.233 30.448 ( -13.928 0.000 -4.735) 14.711 31.250 ( 10.340 0.000 3.126) 10.802 31.312 ( 9.877 0.000 -2.666) 10.230 31.643 ( -4.102 0.000 1.894) 4.518 31.682 ( -3.928 0.000 -1.858) 4.345 34.496 ( 3.935 0.000 4.634) 6.079 34.591 ( -0.348 0.000 -3.890) 3.906 35.506 ( 8.082 0.000 -2.037) 8.335 35.620 ( 1.340 0.000 -10.895) 10.977 36.198 ( 0.113 0.000 0.487) 0.500 36.202 ( -0.116 0.000 0.053) 0.127 37.121 ( 0.165 0.000 0.178) 0.243 37.133 ( -0.412 0.000 -0.917) 1.006 38.304 ( 1.205 0.000 3.027) 3.258 38.363 ( -1.763 0.000 -2.443) 3.012 38.942 ( -7.158 0.000 6.885) 9.932 39.039 ( -10.541 0.000 -2.483) 10.830 40.699 ( 10.841 0.000 8.341) 13.678 40.824 ( 6.509 0.000 -2.848) 7.105 41.264 ( 11.872 0.000 -4.492) 12.694 41.376 ( 5.838 0.000 -12.602) 13.889 42.853 ( 2.917 0.000 3.562) 4.604 42.904 ( 1.458 0.000 0.385) 1.508 42.992 ( 0.560 0.000 2.065) 2.140 43.052 ( -0.280 0.000 -2.007) 2.026 43.697 ( 1.795 0.000 4.573) 4.913 43.782 ( 0.271 0.000 -3.080) 3.092 44.151 ( -7.964 0.000 6.052) 10.002 44.240 ( -10.164 0.000 -1.914) 10.343 90.290 ( 0.459 0.000 0.160) 0.486 90.297 ( 0.179 0.000 -0.521) 0.551 90.372 ( -0.171 0.000 0.503) 0.531 90.378 ( -0.370 0.000 -0.026) 0.371 93.930 ( 1.884 0.000 3.214) 3.725 94.007 ( -1.903 0.000 -3.971) 4.404 95.164 ( -0.714 0.000 7.656) 7.690 95.285 ( -6.677 0.000 -3.423) 7.503 ======================= Grid point 101 (36/48) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -12.593 0.000 1.518) 12.684 1.767 ( 12.593 0.000 1.518) 12.684 2.204 ( -8.363 0.000 -1.038) 8.427 2.204 ( 8.363 0.000 -1.038) 8.427 2.688 ( -21.645 0.000 9.244) 23.536 2.688 ( 21.645 0.000 9.244) 23.536 3.182 ( -8.711 0.000 7.357) 11.402 3.182 ( 8.711 0.000 7.357) 11.402 3.314 ( -3.352 0.000 -3.058) 4.537 3.314 ( 3.352 0.000 -3.058) 4.537 3.528 ( -4.386 0.000 -9.506) 10.470 3.528 ( 4.386 0.000 -9.506) 10.470 3.552 ( -17.837 0.000 3.463) 18.170 3.552 ( 17.837 0.000 3.463) 18.170 3.780 ( -9.956 0.000 -10.778) 14.672 3.780 ( 9.956 0.000 -10.778) 14.672 4.207 ( -1.333 0.000 -0.153) 1.341 4.207 ( 1.333 0.000 -0.153) 1.341 4.214 ( -2.688 0.000 3.079) 4.087 4.214 ( 2.688 0.000 3.079) 4.087 4.325 ( -2.392 0.000 -1.095) 2.631 4.325 ( 2.392 0.000 -1.095) 2.631 4.414 ( -6.130 0.000 -6.645) 9.041 4.414 ( 6.130 0.000 -6.645) 9.041 4.648 ( -1.292 0.000 3.730) 3.948 4.648 ( 1.292 0.000 3.730) 3.948 4.730 ( -2.786 0.000 -1.808) 3.322 4.730 ( 2.786 0.000 -1.808) 3.322 5.108 ( -4.280 0.000 2.608) 5.012 5.108 ( 4.280 0.000 2.608) 5.012 5.151 ( -3.573 0.000 4.133) 5.463 5.151 ( 3.573 0.000 4.133) 5.463 5.268 ( -4.834 0.000 1.382) 5.028 5.268 ( 4.834 0.000 1.382) 5.028 5.473 ( -12.464 0.000 11.573) 17.008 5.473 ( 12.464 0.000 11.573) 17.008 5.650 ( -5.122 0.000 -0.612) 5.159 5.650 ( 5.122 0.000 -0.612) 5.159 5.715 ( -4.110 0.000 -4.814) 6.330 5.715 ( 4.110 0.000 -4.814) 6.330 5.936 ( -7.822 0.000 0.911) 7.875 5.936 ( 7.822 0.000 0.911) 7.875 5.973 ( -1.880 0.000 0.730) 2.016 5.973 ( 1.880 0.000 0.730) 2.016 6.008 ( -5.977 0.000 -6.180) 8.597 6.008 ( 5.977 0.000 -6.180) 8.597 6.171 ( -1.376 0.000 0.265) 1.401 6.171 ( 1.376 0.000 0.265) 1.401 6.376 ( -10.355 0.000 6.552) 12.254 6.376 ( 10.355 0.000 6.552) 12.254 6.428 ( -1.729 0.000 0.004) 1.729 6.428 ( 1.729 0.000 0.004) 1.729 6.549 ( -17.500 0.000 -9.311) 19.823 6.549 ( 17.500 0.000 -9.311) 19.823 6.594 ( -1.661 0.000 0.321) 1.692 6.594 ( 1.661 0.000 0.321) 1.692 7.011 ( -0.728 0.000 1.966) 2.096 7.011 ( 0.728 0.000 1.966) 2.096 7.023 ( -4.944 0.000 3.454) 6.031 7.023 ( 4.944 0.000 3.454) 6.031 7.059 ( -1.055 0.000 -1.760) 2.052 7.059 ( 1.055 0.000 -1.760) 2.052 7.124 ( -7.710 0.000 -5.502) 9.472 7.124 ( 7.710 0.000 -5.502) 9.472 7.725 ( -7.068 0.000 3.352) 7.822 7.725 ( 7.068 0.000 3.352) 7.822 7.829 ( -8.794 0.000 -6.536) 10.957 7.829 ( 8.794 0.000 -6.536) 10.957 8.376 ( -2.346 0.000 0.282) 2.363 8.376 ( 2.346 0.000 0.282) 2.363 8.757 ( -1.978 0.000 -0.320) 2.004 8.757 ( 1.978 0.000 -0.320) 2.004 10.392 ( -5.119 0.000 0.420) 5.136 10.392 ( 5.119 0.000 0.420) 5.136 10.502 ( -1.083 0.000 -0.720) 1.301 10.502 ( 1.083 0.000 -0.720) 1.301 11.199 ( -0.798 0.000 -0.517) 0.951 11.199 ( 0.798 0.000 -0.517) 0.951 11.235 ( -0.166 0.000 1.484) 1.494 11.235 ( 0.166 0.000 1.484) 1.494 11.349 ( -1.328 0.000 0.460) 1.405 11.349 ( 1.328 0.000 0.460) 1.405 11.387 ( -0.293 0.000 0.339) 0.449 11.387 ( 0.293 0.000 0.339) 0.449 12.334 ( -3.359 0.000 -1.040) 3.516 12.334 ( 3.359 0.000 -1.040) 3.516 12.558 ( -1.965 0.000 -0.172) 1.972 12.558 ( 1.965 0.000 -0.172) 1.972 14.113 ( -0.772 0.000 -0.030) 0.773 14.113 ( 0.772 0.000 -0.030) 0.773 14.128 ( -0.111 0.000 -0.027) 0.115 14.128 ( 0.111 0.000 -0.027) 0.115 15.436 ( -2.964 0.000 3.267) 4.411 15.436 ( 2.964 0.000 3.267) 4.411 15.593 ( -0.006 0.000 -0.062) 0.062 15.593 ( 0.006 0.000 -0.062) 0.062 15.609 ( -1.827 0.000 3.148) 3.639 15.609 ( 1.827 0.000 3.148) 3.639 15.716 ( -0.134 0.000 0.095) 0.164 15.716 ( 0.134 0.000 0.095) 0.164 18.139 ( -3.863 0.000 1.231) 4.054 18.139 ( 3.863 0.000 1.231) 4.054 18.154 ( -3.478 0.000 0.647) 3.538 18.154 ( 3.478 0.000 0.647) 3.538 18.873 ( -1.787 0.000 -1.204) 2.155 18.873 ( 1.787 0.000 -1.204) 2.155 18.893 ( -1.063 0.000 -1.577) 1.902 18.893 ( 1.063 0.000 -1.577) 1.902 19.930 ( -0.094 0.000 -0.012) 0.095 19.930 ( 0.094 0.000 -0.012) 0.095 20.364 ( -0.026 0.000 -0.003) 0.026 20.364 ( 0.026 0.000 -0.003) 0.026 20.587 ( -0.132 0.000 0.014) 0.133 20.587 ( 0.132 0.000 0.014) 0.133 21.281 ( -0.014 0.000 -0.018) 0.023 21.281 ( 0.014 0.000 -0.018) 0.023 21.771 ( -0.080 0.000 0.039) 0.090 21.771 ( 0.080 0.000 0.039) 0.090 21.782 ( -0.072 0.000 -0.081) 0.108 21.782 ( 0.072 0.000 -0.081) 0.108 25.163 ( -0.522 0.000 -0.631) 0.819 25.163 ( 0.522 0.000 -0.631) 0.819 25.313 ( -1.145 0.000 0.379) 1.206 25.313 ( 1.145 0.000 0.379) 1.206 25.800 ( -0.036 0.000 0.051) 0.063 25.800 ( 0.036 0.000 0.051) 0.063 26.085 ( -0.255 0.000 -0.038) 0.258 26.085 ( 0.255 0.000 -0.038) 0.258 27.414 ( -2.803 0.000 2.239) 3.588 27.414 ( 2.803 0.000 2.239) 3.588 27.450 ( -4.030 0.000 -1.102) 4.178 27.450 ( 4.030 0.000 -1.102) 4.178 28.010 ( -0.044 0.000 -0.693) 0.694 28.010 ( 0.044 0.000 -0.693) 0.694 28.151 ( -0.048 0.000 0.655) 0.657 28.151 ( 0.048 0.000 0.655) 0.657 28.669 ( -2.834 0.000 -0.711) 2.922 28.669 ( 2.834 0.000 -0.711) 2.922 29.085 ( -2.226 0.000 -3.584) 4.219 29.085 ( 2.226 0.000 -3.584) 4.219 29.953 ( -7.368 0.000 6.587) 9.883 29.953 ( 7.368 0.000 6.587) 9.883 30.227 ( -7.656 0.000 -2.111) 7.942 30.227 ( 7.656 0.000 -2.111) 7.942 31.401 ( -3.220 0.000 0.727) 3.301 31.401 ( 3.220 0.000 0.727) 3.301 31.602 ( -2.456 0.000 -0.011) 2.456 31.602 ( 2.456 0.000 -0.011) 2.456 34.562 ( -2.729 0.000 0.713) 2.821 34.562 ( 2.729 0.000 0.713) 2.821 35.609 ( -2.846 0.000 -7.330) 7.863 35.609 ( 2.846 0.000 -7.330) 7.863 36.200 ( -0.132 0.000 0.269) 0.300 36.200 ( 0.132 0.000 0.269) 0.300 37.126 ( -0.331 0.000 -0.366) 0.493 37.126 ( 0.331 0.000 -0.366) 0.493 38.331 ( -1.632 0.000 0.263) 1.653 38.331 ( 1.632 0.000 0.263) 1.653 38.907 ( -3.019 0.000 1.350) 3.308 38.907 ( 3.019 0.000 1.350) 3.308 40.842 ( -3.878 0.000 4.383) 5.853 40.842 ( 3.878 0.000 4.383) 5.853 41.408 ( -2.950 0.000 -9.182) 9.645 41.408 ( 2.950 0.000 -9.182) 9.645 42.899 ( -1.765 0.000 3.434) 3.861 42.899 ( 1.765 0.000 3.434) 3.861 43.026 ( -2.308 0.000 -1.949) 3.021 43.026 ( 2.308 0.000 -1.949) 3.021 43.751 ( -3.363 0.000 2.994) 4.502 43.751 ( 3.363 0.000 2.994) 4.502 44.102 ( -3.352 0.000 0.636) 3.412 44.102 ( 3.352 0.000 0.636) 3.412 90.297 ( -0.215 0.000 -0.173) 0.276 90.297 ( 0.215 0.000 -0.173) 0.276 90.372 ( -0.169 0.000 0.229) 0.285 90.372 ( 0.169 0.000 0.229) 0.285 93.968 ( -2.126 0.000 -0.141) 2.131 93.968 ( 2.126 0.000 -0.141) 2.131 95.188 ( -3.361 0.000 1.733) 3.782 95.188 ( 3.361 0.000 1.733) 3.782 ======================= Grid point 105 (37/48) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.000 35.151 13.812) 37.767 1.552 ( 0.000 31.679 -12.518) 34.062 1.896 ( 0.000 7.100 29.690) 30.527 2.323 ( 0.000 3.758 9.360) 10.086 2.588 ( 0.000 -2.810 14.203) 14.478 2.832 ( 0.000 1.996 12.923) 13.077 2.953 ( 0.000 -7.866 -6.700) 10.332 3.194 ( 0.000 -4.639 -12.844) 13.656 3.211 ( 0.000 5.022 8.054) 9.492 3.357 ( 0.000 -0.120 -5.168) 5.170 3.395 ( 0.000 4.281 11.645) 12.407 3.602 ( 0.000 1.118 -3.143) 3.335 3.750 ( 0.000 -2.707 -3.505) 4.429 3.754 ( 0.000 -0.226 -5.960) 5.964 3.945 ( 0.000 0.497 2.549) 2.597 4.001 ( 0.000 1.156 1.777) 2.120 4.043 ( 0.000 -0.769 11.671) 11.696 4.055 ( 0.000 3.403 -2.865) 4.448 4.137 ( 0.000 -0.870 -3.355) 3.466 4.249 ( 0.000 -4.507 -2.001) 4.932 4.280 ( 0.000 0.064 -1.650) 1.652 4.295 ( 0.000 -0.630 1.892) 1.994 4.381 ( 0.000 -1.464 -8.505) 8.630 4.393 ( 0.000 1.017 -10.263) 10.313 4.547 ( 0.000 3.011 -1.473) 3.352 4.550 ( 0.000 -1.940 -3.481) 3.985 4.705 ( 0.000 4.721 2.575) 5.378 4.758 ( 0.000 3.056 4.037) 5.064 4.811 ( 0.000 3.310 -1.306) 3.559 4.846 ( 0.000 9.374 -9.775) 13.544 5.024 ( 0.000 -2.552 5.042) 5.652 5.135 ( 0.000 -2.150 -4.435) 4.928 5.296 ( 0.000 0.760 3.219) 3.307 5.307 ( 0.000 1.628 5.094) 5.348 5.358 ( 0.000 5.807 0.072) 5.808 5.389 ( 0.000 -1.089 2.394) 2.630 5.524 ( 0.000 -0.778 -10.032) 10.062 5.531 ( 0.000 -3.301 -8.647) 9.255 5.582 ( 0.000 0.798 11.497) 11.525 5.715 ( 0.000 -3.220 4.029) 5.158 5.743 ( 0.000 -1.916 -0.733) 2.052 5.807 ( 0.000 0.316 6.604) 6.612 5.843 ( 0.000 1.889 -8.806) 9.007 5.928 ( 0.000 5.560 2.665) 6.166 5.933 ( 0.000 5.761 -3.661) 6.826 6.038 ( 0.000 2.610 2.745) 3.788 6.057 ( 0.000 -2.469 -7.442) 7.841 6.136 ( 0.000 -0.138 -5.998) 6.000 6.290 ( 0.000 -2.305 1.861) 2.963 6.333 ( 0.000 -3.524 -2.074) 4.090 6.427 ( 0.000 3.436 4.372) 5.560 6.500 ( 0.000 -0.146 -2.025) 2.030 6.559 ( 0.000 1.707 3.945) 4.298 6.664 ( 0.000 3.324 -5.541) 6.462 6.710 ( 0.000 -3.499 0.621) 3.554 6.745 ( 0.000 0.679 -2.266) 2.366 6.924 ( 0.000 1.186 0.988) 1.544 6.945 ( 0.000 3.120 -0.126) 3.122 6.962 ( 0.000 -1.388 -0.009) 1.388 6.992 ( 0.000 4.012 -2.043) 4.502 7.018 ( 0.000 5.286 0.658) 5.327 7.028 ( 0.000 3.975 -0.113) 3.976 7.549 ( 0.000 6.134 1.738) 6.375 7.563 ( 0.000 -0.690 3.579) 3.645 7.625 ( 0.000 -2.589 1.750) 3.125 7.691 ( 0.000 -4.530 1.815) 4.880 7.740 ( 0.000 -3.469 -1.369) 3.729 7.763 ( 0.000 -4.643 -5.510) 7.205 8.185 ( 0.000 -1.573 -0.157) 1.581 8.244 ( 0.000 -6.597 -4.781) 8.147 8.754 ( 0.000 -6.573 5.139) 8.343 8.850 ( 0.000 -6.246 -4.029) 7.433 10.431 ( 0.000 -1.752 5.987) 6.238 10.477 ( 0.000 -0.820 -0.413) 0.918 10.502 ( 0.000 0.050 -1.698) 1.699 10.574 ( 0.000 -1.411 -6.649) 6.797 11.030 ( 0.000 0.200 0.098) 0.223 11.036 ( 0.000 0.127 -0.472) 0.489 11.232 ( 0.000 -0.315 1.037) 1.083 11.236 ( 0.000 -0.415 0.680) 0.796 11.361 ( 0.000 -0.316 1.751) 1.780 11.385 ( 0.000 -0.522 -0.214) 0.564 11.477 ( 0.000 0.904 2.104) 2.290 11.517 ( 0.000 0.327 -1.619) 1.652 12.240 ( 0.000 0.167 -1.538) 1.547 12.263 ( 0.000 -0.008 -3.451) 3.451 13.127 ( 0.000 -0.245 5.727) 5.733 13.192 ( 0.000 -2.117 0.022) 2.117 13.755 ( 0.000 -0.141 0.979) 0.989 13.773 ( 0.000 -0.379 -0.870) 0.949 13.870 ( 0.000 0.247 1.709) 1.726 13.905 ( 0.000 -0.198 -1.389) 1.403 15.348 ( 0.000 0.257 2.967) 2.978 15.396 ( 0.000 -0.382 -1.641) 1.685 15.610 ( 0.000 1.583 0.249) 1.602 15.620 ( 0.000 2.302 -0.686) 2.402 15.714 ( 0.000 0.405 0.865) 0.955 15.727 ( 0.000 0.720 -0.358) 0.804 16.217 ( 0.000 -0.061 4.282) 4.283 16.227 ( 0.000 -0.162 3.199) 3.203 17.895 ( 0.000 -0.022 0.119) 0.121 17.922 ( 0.000 -0.362 -2.236) 2.266 18.196 ( 0.000 0.187 2.120) 2.128 18.203 ( 0.000 0.069 1.323) 1.325 18.869 ( 0.000 0.668 1.062) 1.255 18.905 ( 0.000 0.325 -2.235) 2.259 19.066 ( 0.000 0.573 -0.283) 0.639 19.090 ( 0.000 0.318 -2.420) 2.441 19.961 ( 0.000 2.721 0.294) 2.737 19.968 ( 0.000 2.750 -0.361) 2.774 20.372 ( 0.000 0.240 0.053) 0.246 20.375 ( 0.000 0.170 -0.318) 0.361 20.593 ( 0.000 3.877 0.186) 3.882 20.608 ( 0.000 6.153 -1.540) 6.343 21.298 ( 0.000 -2.390 0.111) 2.392 21.301 ( 0.000 -2.171 -0.154) 2.176 21.800 ( 0.000 0.033 0.192) 0.194 21.802 ( 0.000 0.064 -0.002) 0.064 21.804 ( 0.000 0.023 0.043) 0.048 21.805 ( 0.000 -0.037 -0.081) 0.089 25.201 ( 0.000 -0.813 -0.743) 1.101 25.208 ( 0.000 -0.675 -1.537) 1.679 25.475 ( 0.000 -3.068 0.782) 3.167 25.494 ( 0.000 -5.209 -0.465) 5.230 25.795 ( 0.000 0.759 0.199) 0.784 25.799 ( 0.000 0.847 -0.143) 0.859 26.061 ( 0.000 -2.028 0.799) 2.180 26.078 ( 0.000 -2.046 -0.851) 2.216 27.197 ( 0.000 -0.055 0.106) 0.119 27.200 ( 0.000 -0.051 -0.153) 0.161 27.527 ( 0.000 0.822 3.491) 3.587 27.585 ( 0.000 0.181 -1.843) 1.851 28.025 ( 0.000 1.757 -0.401) 1.802 28.028 ( 0.000 1.831 -0.702) 1.961 28.181 ( 0.000 1.794 0.334) 1.825 28.187 ( 0.000 2.604 -0.531) 2.658 28.542 ( 0.000 0.319 2.868) 2.886 28.636 ( 0.000 -0.231 -6.180) 6.184 28.948 ( 0.000 -0.357 6.061) 6.072 29.077 ( 0.000 -1.879 -5.428) 5.744 29.669 ( 0.000 -0.076 6.744) 6.744 29.803 ( 0.000 -1.375 -5.571) 5.738 30.588 ( 0.000 -14.804 9.103) 17.379 30.714 ( 0.000 -11.031 -3.376) 11.536 30.978 ( 0.000 -0.302 0.293) 0.421 30.982 ( 0.000 -0.404 0.043) 0.407 31.676 ( 0.000 -2.051 -0.434) 2.097 31.694 ( 0.000 -2.379 -2.216) 3.251 34.429 ( 0.000 2.862 7.474) 8.003 34.585 ( 0.000 3.061 -6.975) 7.617 35.171 ( 0.000 -4.209 14.332) 14.937 35.485 ( 0.000 -5.999 -14.652) 15.833 36.297 ( 0.000 9.346 1.554) 9.474 36.347 ( 0.000 12.184 -3.889) 12.790 37.111 ( 0.000 -0.928 0.595) 1.102 37.135 ( 0.000 -0.839 -1.694) 1.890 38.325 ( 0.000 4.157 6.773) 7.947 38.454 ( 0.000 4.710 -5.186) 7.005 39.342 ( 0.000 -5.004 4.663) 6.840 39.409 ( 0.000 -10.236 -0.639) 10.256 40.186 ( 0.000 0.293 8.060) 8.066 40.300 ( 0.000 -0.780 -0.505) 0.929 40.927 ( 0.000 -0.314 3.750) 3.763 41.150 ( 0.000 -2.239 -15.145) 15.310 42.783 ( 0.000 0.601 4.634) 4.673 42.855 ( 0.000 0.433 -1.334) 1.403 42.993 ( 0.000 -0.888 3.448) 3.561 43.025 ( 0.000 -0.906 1.322) 1.602 43.677 ( 0.000 -0.478 1.417) 1.496 43.735 ( 0.000 -2.183 -3.939) 4.503 44.281 ( 0.000 -10.770 3.007) 11.182 44.303 ( 0.000 -20.579 2.729) 20.760 90.294 ( 0.000 1.302 0.312) 1.339 90.303 ( 0.000 1.195 -0.578) 1.327 90.393 ( 0.000 1.284 0.845) 1.537 90.413 ( 0.000 2.242 -1.378) 2.632 93.916 ( 0.000 2.578 5.715) 6.270 94.061 ( 0.000 1.238 -8.056) 8.150 95.120 ( 0.000 -10.913 10.722) 15.298 95.280 ( 0.000 -18.404 -3.165) 18.674 ======================= Grid point 106 (38/48) ======================= q-point: ( 0.17 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 10.680 32.253 12.632) 36.247 1.633 ( 8.243 27.952 -10.346) 30.924 1.968 ( 10.725 7.572 35.006) 37.387 2.574 ( 18.578 1.724 -16.291) 24.769 2.733 ( 7.646 -1.951 13.325) 15.487 2.834 ( -2.328 -0.726 5.583) 6.093 2.984 ( 6.935 4.629 6.289) 10.444 3.079 ( -9.003 1.435 8.316) 12.340 3.215 ( -0.010 -4.013 -2.558) 4.759 3.252 ( -4.398 -3.703 -6.488) 8.669 3.403 ( 0.077 2.756 2.687) 3.850 3.500 ( -7.427 -0.667 -4.540) 8.730 3.680 ( -3.309 -1.760 5.593) 6.733 3.857 ( -7.689 0.344 -4.112) 8.726 3.924 ( -0.805 -2.601 -0.037) 2.723 3.946 ( -2.310 2.311 -2.845) 4.333 4.008 ( -4.131 0.914 0.621) 4.276 4.027 ( 1.847 1.750 0.988) 2.730 4.064 ( 3.778 1.947 2.607) 4.986 4.172 ( -2.413 -3.260 -0.642) 4.106 4.344 ( 4.529 -0.584 -4.127) 6.155 4.393 ( 1.394 4.878 -3.769) 6.320 4.413 ( 7.204 -5.145 -1.865) 9.047 4.445 ( 3.952 -6.124 -8.296) 11.043 4.615 ( 3.604 -1.325 2.170) 4.411 4.685 ( -0.846 0.694 0.271) 1.127 4.720 ( 9.741 4.901 -1.762) 11.046 4.774 ( 2.473 4.989 -0.466) 5.587 4.833 ( 0.890 7.204 -0.768) 7.299 4.870 ( 1.556 7.704 -3.187) 8.481 5.056 ( 2.097 1.145 0.651) 2.477 5.094 ( -2.927 -0.285 -1.035) 3.117 5.214 ( -4.939 -3.197 4.574) 7.452 5.348 ( 1.601 1.140 -5.244) 5.600 5.382 ( 4.533 3.836 5.455) 8.064 5.446 ( 4.371 1.942 0.170) 4.786 5.538 ( 3.581 -0.882 3.960) 5.412 5.617 ( 6.102 0.214 1.863) 6.383 5.673 ( 7.895 -1.675 -7.725) 11.172 5.724 ( -0.136 -0.464 -1.589) 1.661 5.747 ( 1.460 -0.687 0.104) 1.616 5.812 ( 0.205 -1.124 -2.815) 3.038 5.883 ( 5.980 0.066 5.312) 7.998 5.917 ( -0.466 3.293 0.059) 3.326 5.965 ( 2.258 1.043 -2.018) 3.203 6.011 ( -1.451 3.117 1.316) 3.682 6.069 ( 3.100 0.478 -3.530) 4.722 6.119 ( -0.254 1.543 -4.264) 4.542 6.221 ( -6.134 2.504 3.978) 7.728 6.334 ( -0.806 -0.126 -5.321) 5.384 6.483 ( 0.124 1.522 1.860) 2.406 6.520 ( 2.951 0.237 -0.950) 3.109 6.617 ( 5.449 -4.089 2.502) 7.258 6.675 ( 1.803 -5.178 -2.811) 6.161 6.742 ( 1.167 5.201 0.430) 5.348 6.752 ( 0.435 0.590 -0.788) 1.077 6.888 ( -4.035 -0.486 2.634) 4.843 6.954 ( 0.748 -1.001 -2.135) 2.474 6.974 ( 3.002 2.216 0.705) 3.797 6.999 ( 1.672 1.204 -1.261) 2.416 7.025 ( 0.254 3.950 2.769) 4.831 7.090 ( 5.071 4.059 -2.658) 7.018 7.388 ( -13.229 1.572 6.497) 14.822 7.537 ( -7.857 5.085 -1.809) 9.532 7.543 ( -7.414 -1.902 -2.715) 8.122 7.596 ( -0.313 3.138 -4.668) 5.633 7.791 ( 4.145 -4.781 3.504) 7.233 7.862 ( 3.995 -5.645 -2.638) 7.402 8.191 ( 1.248 -3.572 0.641) 3.838 8.256 ( 1.460 -7.445 -4.726) 8.938 8.734 ( -2.009 -6.599 4.674) 8.332 8.821 ( -2.976 -6.534 -3.565) 8.017 10.372 ( -4.185 -0.432 6.356) 7.622 10.482 ( -0.648 -1.114 -1.697) 2.131 10.504 ( 0.092 0.042 -1.487) 1.490 10.559 ( -1.014 -0.805 -5.440) 5.592 11.060 ( 3.109 0.267 0.194) 3.126 11.069 ( 3.334 0.195 -0.657) 3.404 11.246 ( 0.839 -0.574 1.174) 1.553 11.251 ( 0.853 -0.515 0.954) 1.380 11.356 ( -0.324 -0.658 1.537) 1.703 11.378 ( -0.547 -0.626 -0.236) 0.864 11.456 ( -2.160 1.001 1.969) 3.089 11.492 ( -2.599 0.411 -1.398) 2.979 12.237 ( 0.053 0.286 -0.583) 0.651 12.276 ( 1.198 -0.166 -4.026) 4.203 13.003 ( -12.183 -0.390 4.170) 12.882 13.043 ( -14.440 -1.604 0.885) 14.556 13.824 ( 6.944 -0.188 0.755) 6.988 13.833 ( 6.439 -0.204 -0.335) 6.451 13.940 ( 6.609 0.018 1.177) 6.713 13.966 ( 6.022 -0.291 -1.180) 6.144 15.336 ( -0.917 0.155 3.558) 3.678 15.389 ( -0.722 -0.582 -1.381) 1.663 15.610 ( -0.009 1.559 0.229) 1.576 15.618 ( -0.206 2.172 -0.499) 2.238 15.714 ( -0.010 0.284 0.770) 0.821 15.726 ( -0.142 0.614 -0.324) 0.709 16.103 ( -11.538 -0.285 4.237) 12.295 16.114 ( -11.506 -0.354 3.141) 11.933 17.940 ( 4.422 0.006 0.344) 4.435 17.965 ( 4.215 -0.256 -1.801) 4.591 18.200 ( 0.231 0.087 1.961) 1.976 18.209 ( 0.394 -0.094 1.170) 1.238 18.858 ( -0.888 0.677 0.833) 1.393 18.892 ( -1.152 0.352 -2.240) 2.543 19.032 ( -3.366 0.521 -0.442) 3.435 19.053 ( -3.707 0.296 -2.292) 4.369 19.961 ( 0.016 2.841 0.225) 2.850 19.967 ( -0.110 2.843 -0.303) 2.861 20.374 ( 0.225 0.376 0.061) 0.442 20.377 ( 0.199 0.384 -0.277) 0.513 20.596 ( 0.271 3.475 0.097) 3.487 20.604 ( -0.211 5.149 -0.901) 5.232 21.287 ( -1.069 -2.500 0.116) 2.722 21.289 ( -1.095 -2.296 -0.138) 2.548 21.792 ( -0.757 0.054 0.174) 0.778 21.794 ( -0.751 0.041 -0.066) 0.755 21.798 ( -0.533 0.025 0.053) 0.536 21.800 ( -0.505 -0.017 -0.044) 0.507 25.184 ( -1.573 -0.712 -0.615) 1.833 25.192 ( -1.427 -0.595 -1.425) 2.103 25.423 ( -5.137 -3.327 1.605) 6.327 25.444 ( -4.395 -3.558 -0.358) 5.666 25.799 ( 0.352 0.827 0.178) 0.916 25.802 ( 0.300 0.903 -0.107) 0.958 26.061 ( 0.089 -1.945 0.705) 2.071 26.078 ( -0.106 -1.901 -0.822) 2.074 27.244 ( 4.600 -0.131 0.365) 4.616 27.254 ( 4.901 -0.205 -0.619) 4.945 27.504 ( -2.035 0.708 3.394) 4.020 27.562 ( -2.222 0.079 -1.851) 2.893 28.027 ( 0.206 1.879 -0.421) 1.936 28.030 ( 0.210 1.973 -0.743) 2.119 28.177 ( -0.421 1.642 0.390) 1.739 28.182 ( -0.533 2.320 -0.275) 2.396 28.564 ( 2.470 0.939 4.135) 4.907 28.677 ( 3.225 0.169 -6.592) 7.340 28.957 ( 1.514 -0.722 4.998) 5.272 29.086 ( 0.542 -1.796 -6.775) 7.030 29.700 ( 3.318 -0.248 7.134) 7.872 29.836 ( 3.514 -1.491 -5.438) 6.644 30.460 ( -11.683 -10.858 10.119) 18.889 30.605 ( -10.435 -9.341 -4.173) 14.614 31.057 ( 8.093 -0.692 1.860) 8.332 31.093 ( 10.031 -1.340 -1.522) 10.234 31.669 ( -1.174 -2.118 0.312) 2.441 31.695 ( -0.588 -2.542 -2.129) 3.368 34.458 ( 2.945 2.943 6.873) 8.036 34.608 ( 1.664 3.064 -7.056) 7.871 35.256 ( 7.946 -6.150 9.088) 13.548 35.506 ( 1.913 -6.530 -13.225) 14.873 36.295 ( -0.171 9.075 1.276) 9.166 36.337 ( -1.029 11.369 -3.184) 11.851 37.109 ( -0.229 -1.201 0.477) 1.312 37.130 ( -0.579 -1.128 -1.503) 1.966 38.326 ( 0.195 3.806 5.809) 6.947 38.438 ( -1.635 4.355 -4.509) 6.479 39.132 ( -16.012 -4.780 8.446) 18.724 39.231 ( -12.434 -4.532 -1.496) 13.319 40.451 ( 13.090 -1.106 4.952) 14.039 40.519 ( 23.134 -2.968 -3.671) 23.611 41.015 ( 8.972 -1.141 3.122) 9.568 41.215 ( 6.313 -2.479 -14.111) 15.657 42.804 ( 2.096 0.378 4.192) 4.702 42.870 ( 1.541 0.250 -1.075) 1.895 42.987 ( -0.514 -0.862 3.584) 3.722 43.031 ( 0.575 -1.197 0.367) 1.378 43.672 ( -0.360 -0.867 2.146) 2.342 43.738 ( 0.308 -2.631 -3.801) 4.633 44.196 ( -7.887 -12.965 5.273) 16.065 44.245 ( -5.974 -14.845 0.739) 16.019 90.297 ( 0.323 1.321 0.304) 1.393 90.306 ( 0.300 1.255 -0.586) 1.418 90.389 ( -0.321 1.178 0.787) 1.453 90.407 ( -0.627 1.945 -1.042) 2.294 93.928 ( 1.287 2.762 5.039) 5.888 94.053 ( -0.792 1.682 -6.757) 7.008 95.092 ( -2.343 -10.397 9.796) 14.476 95.236 ( -4.202 -16.153 -2.934) 16.946 ======================= Grid point 107 (39/48) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 17.525 24.094 9.971) 31.417 1.844 ( 13.336 20.376 -8.154) 25.681 2.294 ( 21.743 6.101 25.536) 34.089 2.555 ( -18.013 8.899 4.046) 20.494 2.613 ( -15.711 6.195 -3.303) 17.209 2.894 ( 3.748 0.775 -18.877) 19.261 3.050 ( 6.591 0.607 4.674) 8.103 3.180 ( 6.362 -1.900 12.038) 13.748 3.225 ( 2.705 -3.611 9.643) 10.646 3.255 ( 2.549 -5.491 -8.789) 10.672 3.375 ( -5.745 -1.078 -2.202) 6.246 3.462 ( 2.843 -1.125 -10.346) 10.788 3.579 ( -5.323 2.943 6.473) 8.883 3.675 ( -3.923 0.385 -0.181) 3.946 3.850 ( -2.388 0.958 -1.476) 2.966 3.953 ( -1.687 1.017 -6.241) 6.544 4.061 ( 3.645 -5.821 1.877) 7.120 4.102 ( 3.522 -2.080 3.836) 5.607 4.113 ( 6.184 -0.787 0.151) 6.236 4.200 ( 2.428 -0.003 -1.272) 2.741 4.368 ( -4.324 1.242 -2.402) 5.100 4.403 ( -3.910 3.151 -4.027) 6.437 4.435 ( 0.339 2.236 2.644) 3.479 4.521 ( -2.923 -0.910 -8.118) 8.676 4.622 ( 2.504 -6.086 1.450) 6.738 4.650 ( 0.894 -2.469 0.598) 2.693 4.771 ( -3.341 2.799 1.509) 4.612 4.814 ( -3.300 0.174 -2.694) 4.264 4.929 ( 8.519 5.522 0.940) 10.196 4.943 ( 7.179 5.503 2.503) 9.385 5.061 ( 6.277 1.755 3.005) 7.177 5.187 ( 9.429 6.385 -5.993) 12.868 5.213 ( 4.517 1.311 9.029) 10.180 5.381 ( -0.452 1.817 -0.771) 2.025 5.463 ( -2.975 4.208 3.211) 6.072 5.475 ( 5.875 -1.335 -1.885) 6.313 5.644 ( 1.155 4.053 0.859) 4.301 5.681 ( 6.974 1.303 -1.404) 7.232 5.727 ( 0.357 -2.207 -1.631) 2.767 5.748 ( 1.224 -0.752 -0.005) 1.437 5.788 ( -1.002 0.150 -2.328) 2.539 5.871 ( 4.100 -4.950 -4.331) 7.750 5.930 ( -1.967 -1.090 6.294) 6.684 5.966 ( 3.626 1.418 3.675) 5.354 6.027 ( -0.150 1.873 -1.260) 2.262 6.054 ( 8.242 -0.877 -2.414) 8.633 6.143 ( 2.212 4.174 3.192) 5.701 6.179 ( 8.276 3.109 -1.445) 8.958 6.211 ( 8.406 1.145 -2.208) 8.766 6.238 ( -6.000 3.463 -6.027) 9.182 6.472 ( -2.406 1.112 1.998) 3.319 6.498 ( -5.161 -0.779 -0.571) 5.250 6.619 ( -6.537 -2.743 3.059) 7.721 6.668 ( -2.390 -1.280 -1.846) 3.280 6.721 ( -6.389 3.771 5.084) 8.993 6.811 ( 2.398 -1.190 -0.695) 2.766 6.882 ( 3.917 -3.797 0.843) 5.520 6.943 ( 1.750 -0.821 -5.511) 5.840 7.017 ( 1.150 0.829 2.016) 2.465 7.028 ( 2.255 2.007 -0.282) 3.032 7.067 ( 2.768 2.627 2.449) 4.534 7.151 ( -0.472 3.620 -0.980) 3.780 7.176 ( -8.181 5.744 1.946) 10.184 7.281 ( -9.803 6.500 -9.744) 15.274 7.568 ( 5.414 -1.270 1.105) 5.670 7.630 ( 4.205 0.834 -3.413) 5.480 7.809 ( -2.266 -4.168 2.907) 5.564 7.889 ( -1.736 -5.084 -4.206) 6.823 8.242 ( 3.857 -5.954 1.348) 7.221 8.296 ( 2.231 -7.623 -3.398) 8.639 8.690 ( -2.085 -6.823 3.047) 7.758 8.749 ( -4.276 -7.008 -2.451) 8.567 10.333 ( 0.882 0.640 5.144) 5.258 10.455 ( -1.417 -0.229 -5.538) 5.721 10.503 ( -0.722 -0.342 0.792) 1.125 10.533 ( -2.117 -0.279 -1.745) 2.758 11.136 ( 4.501 0.236 0.192) 4.512 11.147 ( 4.473 0.091 -0.926) 4.569 11.242 ( -1.124 -0.630 1.376) 1.885 11.247 ( -1.159 -0.473 1.049) 1.634 11.355 ( 0.041 -1.215 1.254) 1.746 11.373 ( 0.006 -0.955 -0.114) 0.962 11.405 ( -2.748 1.138 1.437) 3.303 11.426 ( -3.968 0.693 -0.662) 4.082 12.259 ( 2.939 0.489 0.491) 3.020 12.312 ( 2.940 -0.021 -4.191) 5.120 12.725 ( -16.211 -0.925 1.906) 16.349 12.738 ( -14.912 -0.856 0.602) 14.949 13.985 ( 9.190 -0.099 0.479) 9.203 13.992 ( 9.189 -0.207 -0.067) 9.191 14.076 ( 6.401 -0.292 0.496) 6.427 14.090 ( 5.624 -0.401 -0.820) 5.698 15.341 ( 2.576 0.034 4.369) 5.072 15.387 ( 1.621 -0.552 0.092) 1.715 15.610 ( 0.021 1.534 0.134) 1.540 15.613 ( -0.233 1.853 -0.173) 1.875 15.712 ( -0.426 -0.084 0.642) 0.775 15.722 ( -0.358 0.361 -0.251) 0.568 15.822 ( -16.778 -0.616 4.221) 17.311 15.836 ( -16.340 -0.700 2.711) 16.578 18.041 ( 5.847 0.058 0.945) 5.923 18.061 ( 5.471 -0.128 -0.775) 5.527 18.193 ( -1.375 -0.023 1.745) 2.222 18.202 ( -1.428 -0.158 1.014) 1.758 18.849 ( 0.364 0.627 0.016) 0.725 18.874 ( -0.401 0.398 -2.134) 2.207 18.955 ( -4.282 0.430 -0.919) 4.400 18.967 ( -4.925 0.276 -1.918) 5.292 19.961 ( 0.020 3.050 0.102) 3.052 19.964 ( -0.139 3.027 -0.171) 3.035 20.379 ( 0.212 0.656 0.040) 0.690 20.381 ( 0.118 0.722 -0.158) 0.749 20.602 ( 0.338 2.735 -0.008) 2.756 20.604 ( 0.129 3.401 -0.183) 3.409 21.264 ( -1.077 -2.681 0.075) 2.890 21.266 ( -1.154 -2.557 -0.083) 2.807 21.778 ( -0.619 0.072 0.126) 0.636 21.780 ( -0.690 0.047 -0.060) 0.694 21.787 ( -0.519 0.034 0.035) 0.522 21.789 ( -0.553 0.001 -0.080) 0.558 25.158 ( -0.766 -0.520 -0.312) 0.977 25.169 ( -0.746 -0.446 -1.366) 1.619 25.324 ( -4.405 -2.502 2.035) 5.459 25.352 ( -4.803 -2.505 -0.788) 5.474 25.806 ( 0.347 0.927 0.134) 0.999 25.808 ( 0.267 0.976 -0.032) 1.012 26.064 ( 0.183 -1.785 0.400) 1.838 26.074 ( -0.280 -1.720 -0.533) 1.823 27.341 ( 4.881 -0.177 0.865) 4.960 27.355 ( 5.450 -0.246 -0.483) 5.476 27.463 ( -2.290 0.410 2.952) 3.759 27.512 ( -2.962 -0.124 -1.560) 3.350 28.032 ( 0.280 2.186 -0.521) 2.264 28.034 ( 0.188 2.277 -0.779) 2.414 28.168 ( -0.454 1.281 0.533) 1.460 28.171 ( -0.590 1.582 0.284) 1.712 28.626 ( 3.710 1.805 3.113) 5.168 28.715 ( 0.240 1.299 -4.657) 4.841 29.010 ( 3.626 -1.414 0.722) 3.958 29.089 ( -0.260 -1.745 -6.250) 6.494 29.793 ( 6.522 -0.901 7.943) 10.317 29.928 ( 5.664 -1.878 -4.515) 7.483 30.227 ( -11.321 -6.475 9.541) 16.159 30.377 ( -12.611 -6.699 -4.748) 15.048 31.242 ( 10.530 -0.697 2.814) 10.921 31.297 ( 10.382 -1.327 -2.352) 10.727 31.618 ( -4.264 -2.214 1.675) 5.088 31.653 ( -3.908 -2.529 -1.778) 4.982 34.528 ( 4.067 3.172 4.599) 6.910 34.624 ( -0.236 3.306 -4.082) 5.258 35.413 ( 7.572 -8.199 0.233) 11.163 35.536 ( 0.728 -7.540 -9.981) 12.531 36.293 ( 0.043 8.660 0.562) 8.678 36.315 ( -1.109 9.820 -1.765) 10.039 37.105 ( -0.108 -1.738 0.119) 1.746 37.117 ( -0.697 -1.707 -1.014) 2.104 38.336 ( 0.966 3.207 3.359) 4.744 38.400 ( -2.164 3.613 -2.522) 4.909 38.913 ( -6.578 -2.825 6.854) 9.911 39.010 ( -10.025 -2.846 -2.477) 10.712 40.697 ( 11.721 -0.067 7.881) 14.124 40.821 ( 8.168 -0.290 -3.561) 8.915 41.222 ( 11.016 -3.929 -2.267) 11.914 41.339 ( 5.196 -3.500 -11.486) 13.083 42.852 ( 2.720 -0.045 3.761) 4.642 42.903 ( 1.283 -0.137 0.757) 1.496 42.981 ( 0.352 -1.053 1.992) 2.281 43.036 ( -0.386 -1.583 -1.479) 2.201 43.674 ( 0.923 -2.034 3.722) 4.341 43.742 ( -0.305 -3.666 -2.059) 4.216 44.043 ( -6.624 -10.183 5.209) 13.218 44.109 ( -7.501 -10.894 -0.964) 13.262 90.305 ( 0.489 1.400 0.186) 1.494 90.312 ( 0.254 1.413 -0.497) 1.519 90.383 ( -0.263 0.954 0.580) 1.147 90.393 ( -0.724 1.357 -0.463) 1.606 93.960 ( 1.986 3.070 3.029) 4.748 94.031 ( -1.498 2.525 -3.649) 4.684 95.059 ( -0.629 -9.845 6.319) 11.715 95.147 ( -4.684 -12.681 -1.574) 13.609 ======================= Grid point 108 (40/48) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -10.547 16.894 1.312) 19.959 1.960 ( 10.547 16.894 1.312) 19.959 2.341 ( -6.591 11.994 -0.707) 13.704 2.341 ( 6.591 11.994 -0.707) 13.704 2.705 ( -19.075 2.361 7.825) 20.753 2.705 ( 19.075 2.361 7.825) 20.753 3.175 ( -7.273 -1.300 6.562) 9.881 3.175 ( 7.273 -1.300 6.562) 9.881 3.298 ( -1.417 -1.511 -2.877) 3.545 3.298 ( 1.417 -1.511 -2.877) 3.545 3.387 ( -7.408 -6.572 -7.442) 12.387 3.387 ( 7.408 -6.572 -7.442) 12.387 3.609 ( -8.329 3.136 3.529) 9.575 3.609 ( 8.329 3.136 3.529) 9.575 3.872 ( -5.175 4.440 -9.654) 11.820 3.872 ( 5.175 4.440 -9.654) 11.820 4.121 ( -3.039 -4.550 0.736) 5.521 4.121 ( 3.039 -4.550 0.736) 5.521 4.227 ( -2.522 -4.297 -3.073) 5.853 4.227 ( 2.522 -4.297 -3.073) 5.853 4.301 ( -4.682 4.297 1.885) 6.629 4.301 ( 4.682 4.297 1.885) 6.629 4.445 ( -2.044 -1.034 0.201) 2.299 4.445 ( 2.044 -1.034 0.201) 2.299 4.691 ( -1.126 -1.855 -0.536) 2.235 4.691 ( 1.126 -1.855 -0.536) 2.235 4.719 ( -2.120 1.921 -2.271) 3.653 4.719 ( 2.120 1.921 -2.271) 3.653 5.040 ( -1.793 0.229 4.188) 4.562 5.040 ( 1.793 0.229 4.188) 4.562 5.222 ( -7.826 3.951 2.945) 9.248 5.222 ( 7.826 3.951 2.945) 9.248 5.337 ( -2.002 5.926 3.159) 7.008 5.337 ( 2.002 5.926 3.159) 7.008 5.479 ( -7.455 0.466 4.674) 8.812 5.479 ( 7.455 0.466 4.674) 8.812 5.687 ( -4.059 1.052 0.348) 4.207 5.687 ( 4.059 1.052 0.348) 4.207 5.725 ( -1.322 1.812 -3.147) 3.864 5.725 ( 1.322 1.812 -3.147) 3.864 5.872 ( -4.059 -3.630 1.839) 5.747 5.872 ( 4.059 -3.630 1.839) 5.747 5.960 ( -6.441 -1.530 -5.255) 8.452 5.960 ( 6.441 -1.530 -5.255) 8.452 6.037 ( -5.642 4.710 -0.484) 7.365 6.037 ( 5.642 4.710 -0.484) 7.365 6.225 ( -3.071 2.116 -0.305) 3.741 6.225 ( 3.071 2.116 -0.305) 3.741 6.323 ( -3.031 -3.550 3.577) 5.881 6.323 ( 3.031 -3.550 3.577) 5.881 6.445 ( -6.974 0.398 1.874) 7.232 6.445 ( 6.974 0.398 1.874) 7.232 6.530 ( -12.735 0.075 -5.974) 14.067 6.530 ( 12.735 0.075 -5.974) 14.067 6.686 ( -2.650 6.623 -1.203) 7.234 6.686 ( 2.650 6.623 -1.203) 7.234 6.994 ( -4.699 -1.587 3.273) 5.942 6.994 ( 4.699 -1.587 3.273) 5.942 7.051 ( -3.073 2.525 -0.603) 4.023 7.051 ( 3.073 2.525 -0.603) 4.023 7.100 ( -1.803 3.151 -0.372) 3.650 7.100 ( 1.803 3.151 -0.372) 3.650 7.152 ( -4.955 3.568 -4.473) 7.569 7.152 ( 4.955 3.568 -4.473) 7.569 7.687 ( -4.828 -3.737 3.208) 6.896 7.687 ( 4.828 -3.737 3.208) 6.896 7.795 ( -6.412 -2.851 -5.561) 8.954 7.795 ( 6.412 -2.851 -5.561) 8.954 8.305 ( -1.868 -6.854 -0.253) 7.109 8.305 ( 1.868 -6.854 -0.253) 7.109 8.684 ( -1.906 -7.177 -0.149) 7.427 8.684 ( 1.906 -7.177 -0.149) 7.427 10.399 ( -4.954 0.678 0.431) 5.019 10.399 ( 4.954 0.678 0.431) 5.019 10.497 ( -1.270 -0.415 -0.629) 1.476 10.497 ( 1.270 -0.415 -0.629) 1.476 11.198 ( -0.652 -0.086 -0.558) 0.863 11.198 ( 0.652 -0.086 -0.558) 0.863 11.227 ( -0.227 -0.665 1.087) 1.295 11.227 ( 0.227 -0.665 1.087) 1.295 11.354 ( -1.298 0.420 0.736) 1.550 11.354 ( 1.298 0.420 0.736) 1.550 11.383 ( -0.502 -0.358 0.412) 0.741 11.383 ( 0.502 -0.358 0.412) 0.741 12.343 ( -3.310 0.810 -1.018) 3.557 12.343 ( 3.310 0.810 -1.018) 3.557 12.545 ( -2.124 -1.342 -0.196) 2.520 12.545 ( 2.124 -1.342 -0.196) 2.520 14.112 ( -0.631 -0.129 -0.045) 0.646 14.112 ( 0.631 -0.129 -0.045) 0.646 14.124 ( -0.129 -0.409 -0.064) 0.433 14.124 ( 0.129 -0.409 -0.064) 0.433 15.441 ( -2.962 0.484 3.260) 4.431 15.441 ( 2.962 0.484 3.260) 4.431 15.586 ( -1.948 -1.973 2.974) 4.066 15.586 ( 1.948 -1.973 2.974) 4.066 15.611 ( -0.183 1.622 -0.014) 1.632 15.611 ( 0.183 1.622 -0.014) 1.632 15.722 ( -0.092 0.400 0.227) 0.469 15.722 ( 0.092 0.400 0.227) 0.469 18.139 ( -3.839 0.016 1.215) 4.026 18.139 ( 3.839 0.016 1.215) 4.026 18.153 ( -3.492 -0.096 0.641) 3.551 18.153 ( 3.492 -0.096 0.641) 3.551 18.879 ( -1.856 0.586 -1.186) 2.279 18.879 ( 1.856 0.586 -1.186) 2.279 18.896 ( -1.120 0.235 -1.561) 1.935 18.896 ( 1.120 0.235 -1.561) 1.935 19.962 ( -0.080 3.130 -0.027) 3.131 19.962 ( 0.080 3.130 -0.027) 3.131 20.381 ( -0.057 0.819 -0.036) 0.822 20.381 ( 0.057 0.819 -0.036) 0.822 20.606 ( -0.010 2.522 -0.017) 2.523 20.606 ( 0.010 2.522 -0.017) 2.523 21.254 ( -0.047 -2.724 -0.005) 2.724 21.254 ( 0.047 -2.724 -0.005) 2.724 21.772 ( -0.070 0.066 0.039) 0.103 21.772 ( 0.070 0.066 0.039) 0.103 21.783 ( -0.059 0.028 -0.053) 0.084 21.783 ( 0.059 0.028 -0.053) 0.084 25.159 ( -0.560 -0.385 -0.610) 0.913 25.159 ( 0.560 -0.385 -0.610) 0.913 25.289 ( -1.141 -2.189 0.254) 2.482 25.289 ( 1.141 -2.189 0.254) 2.482 25.810 ( -0.048 0.983 0.058) 0.986 25.810 ( 0.048 0.983 0.058) 0.986 26.068 ( -0.282 -1.686 -0.061) 1.710 26.068 ( 0.282 -1.686 -0.061) 1.710 27.414 ( -3.011 0.081 2.080) 3.661 27.414 ( 3.011 0.081 2.080) 3.661 27.447 ( -4.083 -0.265 -0.955) 4.202 27.447 ( 4.083 -0.265 -0.955) 4.202 28.035 ( -0.081 2.413 -0.691) 2.512 28.035 ( 0.081 2.413 -0.691) 2.512 28.164 ( -0.069 1.118 0.576) 1.260 28.164 ( 0.069 1.118 0.576) 1.260 28.689 ( -2.694 1.979 -0.666) 3.409 28.689 ( 2.694 1.979 -0.666) 3.409 29.068 ( -2.164 -1.692 -3.515) 4.461 29.068 ( 2.164 -1.692 -3.515) 4.461 29.933 ( -7.076 -1.862 6.602) 9.856 29.933 ( 7.076 -1.862 6.602) 9.856 30.172 ( -7.548 -5.114 -2.394) 9.426 30.172 ( 7.548 -5.114 -2.394) 9.426 31.398 ( -3.293 -0.208 0.692) 3.372 31.398 ( 3.293 -0.208 0.692) 3.372 31.570 ( -2.632 -2.992 -0.094) 3.986 31.570 ( 2.632 -2.992 -0.094) 3.986 34.595 ( -2.776 3.370 0.581) 4.405 34.595 ( 2.776 3.370 0.581) 4.405 35.516 ( -3.185 -8.312 -5.827) 10.639 35.516 ( 3.185 -8.312 -5.827) 10.639 36.299 ( -0.588 8.793 -0.453) 8.824 36.299 ( 0.588 8.793 -0.453) 8.824 37.107 ( -0.332 -1.999 -0.417) 2.069 37.107 ( 0.332 -1.999 -0.417) 2.069 38.362 ( -1.766 3.089 0.347) 3.575 38.362 ( 1.766 3.089 0.347) 3.575 38.883 ( -2.996 -2.369 1.347) 4.051 38.883 ( 2.996 -2.369 1.347) 4.051 40.853 ( -4.023 1.104 3.953) 5.748 40.853 ( 4.023 1.104 3.953) 5.748 41.363 ( -3.198 -4.438 -7.904) 9.613 41.363 ( 3.198 -4.438 -7.904) 9.613 42.896 ( -1.747 -0.279 3.657) 4.063 42.896 ( 1.747 -0.279 3.657) 4.063 43.011 ( -2.131 -1.479 -1.595) 3.045 43.011 ( 2.131 -1.479 -1.595) 3.045 43.711 ( -2.660 -3.577 2.937) 5.338 43.711 ( 2.660 -3.577 2.937) 5.338 44.003 ( -2.613 -8.850 0.233) 9.231 44.003 ( 2.613 -8.850 0.233) 9.231 90.313 ( -0.225 1.495 -0.149) 1.520 90.313 ( 0.225 1.495 -0.149) 1.520 90.383 ( -0.304 0.937 0.108) 0.991 90.383 ( 0.304 0.937 0.108) 0.991 93.998 ( -1.981 3.063 -0.065) 3.649 93.998 ( 1.981 3.063 -0.065) 3.649 95.077 ( -2.495 -10.515 1.774) 10.952 95.077 ( 2.495 -10.515 1.774) 10.952 ======================= Grid point 112 (41/48) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.000 18.854 18.984) 26.756 2.019 ( 0.000 10.904 18.002) 21.047 2.207 ( 0.000 19.226 -8.721) 21.111 2.420 ( 0.000 1.249 -11.760) 11.826 2.667 ( 0.000 17.304 21.313) 27.453 2.823 ( 0.000 0.185 2.176) 2.184 2.850 ( 0.000 0.295 7.031) 7.037 3.101 ( 0.000 -3.012 -8.854) 9.352 3.322 ( 0.000 5.733 6.796) 8.892 3.380 ( 0.000 1.021 -3.054) 3.220 3.518 ( 0.000 5.933 6.799) 9.023 3.583 ( 0.000 -1.639 1.416) 2.166 3.688 ( 0.000 -1.701 0.629) 1.814 3.763 ( 0.000 0.595 -2.694) 2.759 3.944 ( 0.000 -1.013 2.123) 2.352 4.012 ( 0.000 -1.083 -0.940) 1.434 4.021 ( 0.000 -1.309 12.593) 12.661 4.094 ( 0.000 -0.666 -1.434) 1.582 4.144 ( 0.000 1.676 -2.538) 3.042 4.164 ( 0.000 -1.926 -0.399) 1.967 4.233 ( 0.000 -5.283 -4.476) 6.924 4.261 ( 0.000 -2.944 -1.279) 3.210 4.342 ( 0.000 -1.219 -4.474) 4.637 4.425 ( 0.000 2.629 -13.815) 14.063 4.593 ( 0.000 4.639 -1.142) 4.778 4.638 ( 0.000 3.543 -6.246) 7.180 4.774 ( 0.000 2.073 7.852) 8.121 4.844 ( 0.000 4.342 3.238) 5.416 4.878 ( 0.000 3.170 -1.343) 3.443 4.980 ( 0.000 -0.534 2.574) 2.629 4.998 ( 0.000 -0.361 -9.510) 9.517 5.092 ( 0.000 2.940 -6.729) 7.343 5.240 ( 0.000 -5.156 7.821) 9.367 5.333 ( 0.000 0.484 2.727) 2.769 5.398 ( 0.000 0.954 -2.236) 2.431 5.441 ( 0.000 -4.233 -6.324) 7.610 5.467 ( 0.000 3.197 1.002) 3.350 5.542 ( 0.000 1.031 -4.107) 4.235 5.618 ( 0.000 1.283 12.002) 12.070 5.647 ( 0.000 -0.342 1.671) 1.706 5.689 ( 0.000 -1.383 -2.302) 2.685 5.796 ( 0.000 -1.517 5.533) 5.737 5.839 ( 0.000 -1.429 -3.415) 3.702 5.947 ( 0.000 -7.635 -9.122) 11.896 6.075 ( 0.000 8.784 -0.284) 8.788 6.100 ( 0.000 7.549 -2.364) 7.910 6.151 ( 0.000 7.448 0.734) 7.484 6.207 ( 0.000 -5.230 1.354) 5.402 6.220 ( 0.000 7.557 -3.469) 8.315 6.271 ( 0.000 -3.821 -2.692) 4.674 6.455 ( 0.000 -2.001 0.771) 2.144 6.464 ( 0.000 -1.872 -0.847) 2.055 6.544 ( 0.000 5.791 5.186) 7.774 6.674 ( 0.000 4.075 -6.151) 7.378 6.830 ( 0.000 5.024 3.692) 6.235 6.860 ( 0.000 -6.803 -0.527) 6.824 6.903 ( 0.000 0.267 -1.876) 1.895 6.932 ( 0.000 9.116 -2.602) 9.480 7.013 ( 0.000 4.225 1.024) 4.347 7.051 ( 0.000 5.013 -2.035) 5.410 7.174 ( 0.000 8.520 1.059) 8.586 7.184 ( 0.000 7.942 0.357) 7.950 7.502 ( 0.000 -3.377 5.928) 6.822 7.551 ( 0.000 -5.501 3.354) 6.443 7.589 ( 0.000 -4.799 1.296) 4.971 7.645 ( 0.000 -5.925 -6.022) 8.448 7.660 ( 0.000 3.743 -0.137) 3.745 7.707 ( 0.000 -0.553 -2.136) 2.206 8.048 ( 0.000 -12.482 -1.726) 12.601 8.082 ( 0.000 -8.438 -5.894) 10.293 8.584 ( 0.000 -9.385 5.174) 10.717 8.679 ( 0.000 -10.275 -3.898) 10.990 10.401 ( 0.000 -0.962 5.251) 5.338 10.453 ( 0.000 -1.520 0.106) 1.523 10.504 ( 0.000 0.138 -2.471) 2.475 10.544 ( 0.000 -1.445 -6.086) 6.255 11.034 ( 0.000 0.191 0.174) 0.259 11.038 ( 0.000 0.081 -0.206) 0.221 11.225 ( 0.000 -0.385 0.439) 0.584 11.226 ( 0.000 -0.483 0.353) 0.598 11.355 ( 0.000 -0.235 1.829) 1.844 11.372 ( 0.000 -0.666 0.389) 0.771 11.498 ( 0.000 1.109 1.541) 1.899 11.524 ( 0.000 0.285 -0.835) 0.882 12.245 ( 0.000 0.350 -1.659) 1.695 12.262 ( 0.000 -0.083 -3.097) 3.099 13.122 ( 0.000 -0.247 4.743) 4.750 13.151 ( 0.000 -1.713 2.460) 2.998 13.752 ( 0.000 -0.073 0.516) 0.522 13.764 ( 0.000 -0.416 -0.740) 0.849 13.877 ( 0.000 0.408 1.342) 1.403 13.900 ( 0.000 -0.279 -0.716) 0.769 15.355 ( 0.000 0.483 2.239) 2.291 15.387 ( 0.000 -0.509 -0.776) 0.928 15.646 ( 0.000 1.840 0.655) 1.953 15.664 ( 0.000 1.771 -0.949) 2.009 15.724 ( 0.000 0.604 1.339) 1.469 15.742 ( 0.000 0.542 -0.272) 0.606 16.217 ( 0.000 0.109 3.919) 3.921 16.225 ( 0.000 -0.043 3.084) 3.084 17.896 ( 0.000 0.091 -0.315) 0.328 17.914 ( 0.000 -0.438 -1.908) 1.957 18.200 ( 0.000 0.254 2.070) 2.085 18.205 ( 0.000 0.118 1.584) 1.589 18.886 ( 0.000 1.009 0.617) 1.183 18.912 ( 0.000 0.327 -1.736) 1.767 19.081 ( 0.000 0.841 -0.596) 1.031 19.097 ( 0.000 0.369 -2.081) 2.113 20.036 ( 0.000 4.614 0.306) 4.625 20.044 ( 0.000 4.639 -0.406) 4.657 20.340 ( 0.000 -3.308 0.149) 3.312 20.343 ( 0.000 -3.001 -0.142) 3.005 20.724 ( 0.000 8.642 1.469) 8.766 20.777 ( 0.000 9.585 -3.885) 10.343 21.223 ( 0.000 -5.089 0.507) 5.114 21.235 ( 0.000 -4.407 -0.583) 4.445 21.801 ( 0.000 0.040 0.182) 0.186 21.804 ( 0.000 0.067 0.003) 0.067 21.804 ( 0.000 -0.054 -0.009) 0.055 21.804 ( 0.000 0.038 0.035) 0.052 25.182 ( 0.000 -0.958 -0.402) 1.039 25.191 ( 0.000 -0.926 -1.264) 1.567 25.385 ( 0.000 -4.814 1.619) 5.079 25.401 ( 0.000 -3.882 -0.318) 3.895 25.820 ( 0.000 1.743 0.322) 1.772 25.826 ( 0.000 1.917 -0.305) 1.941 26.005 ( 0.000 -3.404 0.761) 3.488 26.021 ( 0.000 -3.495 -0.828) 3.591 27.196 ( 0.000 -0.035 0.081) 0.088 27.199 ( 0.000 -0.080 -0.144) 0.165 27.548 ( 0.000 1.231 2.594) 2.872 27.588 ( 0.000 0.085 -1.069) 1.073 28.064 ( 0.000 1.899 -0.008) 1.899 28.066 ( 0.000 1.761 -0.135) 1.766 28.228 ( 0.000 2.626 -0.245) 2.638 28.247 ( 0.000 2.843 -2.581) 3.840 28.552 ( 0.000 0.768 1.833) 1.987 28.626 ( 0.000 -0.792 -5.226) 5.285 28.942 ( 0.000 -0.197 3.882) 3.887 29.028 ( 0.000 -2.784 -3.842) 4.745 29.671 ( 0.000 0.353 4.925) 4.937 29.766 ( 0.000 -2.166 -3.877) 4.441 30.295 ( 0.000 -12.112 10.587) 16.087 30.447 ( 0.000 -13.952 -4.187) 14.567 30.971 ( 0.000 -0.288 0.379) 0.476 30.974 ( 0.000 -0.339 0.184) 0.385 31.640 ( 0.000 -1.376 -0.800) 1.592 31.649 ( 0.000 -1.831 -1.674) 2.481 34.512 ( 0.000 5.292 7.806) 9.430 34.668 ( 0.000 4.738 -6.280) 7.867 35.067 ( 0.000 -5.484 11.336) 12.593 35.329 ( 0.000 -9.107 -12.567) 15.520 36.523 ( 0.000 12.092 2.283) 12.305 36.606 ( 0.000 12.309 -6.511) 13.925 37.075 ( 0.000 -2.871 0.404) 2.899 37.104 ( 0.000 -2.486 -2.420) 3.470 38.445 ( 0.000 7.754 8.120) 11.228 38.586 ( 0.000 8.210 -5.082) 9.656 39.158 ( 0.000 -13.731 6.708) 15.282 39.201 ( 0.000 -8.734 1.080) 8.801 40.199 ( 0.000 1.009 7.481) 7.549 40.282 ( 0.000 -1.041 1.450) 1.785 40.927 ( 0.000 0.547 0.452) 0.710 41.089 ( 0.000 -3.617 -13.084) 13.575 42.802 ( 0.000 1.356 5.043) 5.222 42.867 ( 0.000 0.608 0.512) 0.795 42.968 ( 0.000 -1.507 2.516) 2.933 42.999 ( 0.000 -1.604 1.132) 1.963 43.673 ( 0.000 0.443 -0.721) 0.847 43.683 ( 0.000 -2.618 -1.758) 3.154 43.916 ( 0.000 -15.720 9.571) 18.404 44.033 ( 0.000 -12.473 -2.638) 12.749 90.323 ( 0.000 1.382 0.370) 1.431 90.330 ( 0.000 1.276 -0.383) 1.333 90.424 ( 0.000 1.665 0.982) 1.933 90.454 ( 0.000 1.483 -2.160) 2.620 93.991 ( 0.000 4.898 4.189) 6.445 94.098 ( 0.000 2.405 -5.964) 6.431 94.858 ( 0.000 -13.671 6.152) 14.991 94.902 ( 0.000 -17.141 3.013) 17.404 ======================= Grid point 113 (42/48) ======================= q-point: ( 0.17 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 9.470 18.555 16.384) 26.503 2.078 ( 4.232 17.179 17.191) 24.669 2.299 ( 9.260 19.037 -3.248) 21.417 2.590 ( 12.514 -0.288 -12.294) 17.545 2.750 ( 8.340 1.447 7.956) 11.617 2.827 ( 3.490 5.840 1.668) 7.005 3.006 ( 11.429 1.729 10.320) 15.495 3.112 ( -2.261 0.896 2.012) 3.156 3.198 ( -2.424 2.355 -3.704) 5.014 3.254 ( -11.939 3.026 -4.601) 13.147 3.485 ( -6.183 0.081 0.059) 6.184 3.518 ( -4.253 7.714 1.782) 8.987 3.626 ( -0.116 -2.690 6.598) 7.126 3.815 ( -0.942 -3.707 -4.610) 5.990 3.901 ( -9.029 -0.467 4.071) 9.915 3.960 ( -3.273 -0.653 -0.150) 3.341 4.003 ( -7.522 -1.620 1.717) 7.883 4.053 ( 1.119 0.499 2.866) 3.117 4.109 ( -2.289 0.083 0.433) 2.331 4.141 ( 4.230 1.771 -2.923) 5.438 4.258 ( 6.801 -6.167 -5.931) 10.929 4.317 ( 3.982 -6.106 -5.382) 9.061 4.360 ( 2.114 -1.968 -0.504) 2.932 4.474 ( 1.404 -0.161 -4.168) 4.402 4.613 ( 2.716 1.257 2.389) 3.829 4.681 ( -2.672 1.297 -2.514) 3.892 4.831 ( 2.869 4.339 4.260) 6.724 4.901 ( 1.393 4.990 -0.532) 5.208 4.930 ( 5.857 3.767 1.149) 7.058 4.970 ( 2.516 2.183 -1.214) 3.546 5.089 ( 2.344 1.078 -2.565) 3.638 5.130 ( -0.295 -0.489 -2.764) 2.822 5.184 ( 5.945 5.666 1.704) 8.388 5.354 ( 3.256 -0.301 -6.807) 7.551 5.424 ( 5.856 1.027 3.770) 7.040 5.480 ( 5.903 0.237 -3.644) 6.941 5.586 ( 1.899 4.636 7.197) 8.769 5.617 ( 7.393 -0.002 2.081) 7.681 5.652 ( 4.060 -1.984 -2.017) 4.949 5.702 ( 3.744 0.097 -1.107) 3.906 5.708 ( 3.135 -1.922 0.103) 3.679 5.796 ( -2.876 0.404 -4.629) 5.464 5.866 ( 7.437 -1.762 7.188) 10.493 5.989 ( 2.188 -3.248 -2.351) 4.568 6.003 ( -1.406 4.614 -0.020) 4.824 6.054 ( -0.728 3.767 -5.901) 7.039 6.114 ( -2.814 4.793 -0.018) 5.558 6.172 ( -2.785 2.782 -4.606) 6.059 6.244 ( 1.366 -3.502 2.814) 4.696 6.317 ( 1.880 -1.419 -3.668) 4.359 6.488 ( 0.299 1.109 2.896) 3.115 6.525 ( 4.561 -0.746 2.681) 5.343 6.556 ( 1.547 2.198 -0.110) 2.690 6.627 ( -3.718 3.490 -4.263) 6.646 6.833 ( -2.318 2.105 1.817) 3.620 6.842 ( -0.772 -2.542 0.266) 2.670 6.889 ( -2.003 2.343 -2.017) 3.684 6.920 ( 0.817 4.637 -3.997) 6.176 7.034 ( 1.960 2.798 1.451) 3.712 7.071 ( 1.728 6.534 -1.404) 6.903 7.156 ( -2.134 7.932 1.827) 8.415 7.180 ( 0.945 4.785 -0.747) 4.934 7.396 ( -6.873 0.385 6.863) 9.721 7.486 ( -4.074 -3.872 0.125) 5.622 7.629 ( 0.329 -2.195 -1.302) 2.574 7.636 ( -3.052 2.272 -2.383) 4.490 7.706 ( 3.337 -1.848 0.523) 3.850 7.754 ( 3.442 -2.519 -1.683) 4.585 8.041 ( -0.100 -13.164 -2.554) 13.410 8.056 ( -0.980 -9.762 -4.967) 10.997 8.559 ( -2.567 -10.055 4.605) 11.353 8.640 ( -3.859 -10.984 -3.095) 12.046 10.368 ( -2.367 0.228 5.152) 5.674 10.452 ( -0.476 -1.800 -0.665) 1.977 10.506 ( 0.049 0.203 -2.605) 2.613 10.541 ( -0.153 -0.930 -4.785) 4.877 11.067 ( 3.285 0.357 0.238) 3.313 11.073 ( 3.475 0.207 -0.400) 3.504 11.232 ( 0.471 -0.676 0.633) 1.039 11.238 ( 0.706 -0.726 0.296) 1.055 11.344 ( -0.974 -0.441 1.799) 2.093 11.362 ( -0.867 -0.822 0.252) 1.221 11.478 ( -2.043 1.135 1.492) 2.773 11.501 ( -2.382 0.398 -0.612) 2.492 12.245 ( 0.268 0.492 -0.992) 1.139 12.271 ( 1.029 -0.277 -3.314) 3.482 12.994 ( -12.578 -0.491 3.440) 13.049 13.010 ( -13.745 -1.432 2.258) 14.003 13.821 ( 6.929 -0.122 0.528) 6.950 13.828 ( 6.615 -0.273 -0.308) 6.628 13.942 ( 6.179 0.152 0.855) 6.240 13.959 ( 5.820 -0.350 -0.752) 5.879 15.341 ( -1.098 0.410 2.768) 3.005 15.376 ( -0.963 -0.671 -0.426) 1.249 15.646 ( 0.002 1.874 0.650) 1.984 15.662 ( -0.212 1.918 -0.766) 2.076 15.721 ( -0.332 0.393 1.260) 1.361 15.738 ( -0.380 0.416 -0.294) 0.635 16.099 ( -11.996 -0.108 3.917) 12.620 16.107 ( -11.954 -0.272 3.052) 12.341 17.941 ( 4.490 0.125 -0.014) 4.492 17.958 ( 4.381 -0.354 -1.518) 4.650 18.203 ( 0.063 0.156 1.917) 1.924 18.208 ( 0.155 -0.027 1.452) 1.461 18.876 ( -0.892 1.011 0.422) 1.413 18.900 ( -1.082 0.369 -1.769) 2.106 19.045 ( -3.483 0.776 -0.726) 3.642 19.060 ( -3.729 0.365 -2.009) 4.251 20.039 ( 0.286 4.766 0.221) 4.780 20.045 ( 0.131 4.788 -0.334) 4.802 20.346 ( 0.531 -3.219 0.109) 3.265 20.348 ( 0.477 -2.984 -0.127) 3.025 20.718 ( -0.541 8.291 1.151) 8.388 20.758 ( -1.752 9.172 -2.783) 9.744 21.210 ( -1.291 -5.211 0.473) 5.390 21.220 ( -1.445 -4.641 -0.495) 4.886 21.793 ( -0.711 0.087 0.157) 0.733 21.796 ( -0.736 0.056 -0.044) 0.739 21.799 ( -0.543 0.007 0.049) 0.545 21.799 ( -0.511 -0.040 0.030) 0.513 25.167 ( -1.326 -0.815 -0.332) 1.592 25.177 ( -1.231 -0.803 -1.221) 1.911 25.343 ( -3.903 -3.865 1.851) 5.796 25.368 ( -3.359 -3.742 -0.696) 5.077 25.825 ( 0.473 1.795 0.303) 1.881 25.831 ( 0.404 1.973 -0.257) 2.031 26.008 ( 0.289 -3.289 0.695) 3.374 26.024 ( 0.166 -3.355 -0.854) 3.466 27.242 ( 4.473 -0.085 0.378) 4.489 27.249 ( 4.694 -0.263 -0.349) 4.714 27.523 ( -2.327 1.083 2.521) 3.598 27.562 ( -2.450 -0.039 -1.086) 2.680 28.070 ( 0.611 2.139 -0.028) 2.224 28.072 ( 0.658 2.010 -0.229) 2.127 28.220 ( -0.880 2.376 -0.130) 2.537 28.236 ( -1.191 2.600 -2.066) 3.528 28.591 ( 3.893 1.716 2.668) 5.021 28.679 ( 4.571 -0.178 -5.632) 7.256 28.941 ( 0.485 -0.653 3.777) 3.864 29.036 ( 0.507 -2.945 -5.133) 5.940 29.698 ( 2.872 0.209 5.191) 5.936 29.796 ( 3.145 -2.315 -3.875) 5.502 30.230 ( -6.544 -10.181 9.872) 15.618 30.374 ( -7.188 -12.327 -4.130) 14.856 31.045 ( 7.706 -0.400 1.303) 7.825 31.067 ( 8.918 -1.132 -0.745) 9.020 31.630 ( -1.449 -1.617 -0.184) 2.179 31.644 ( -0.928 -2.158 -1.611) 2.848 34.544 ( 3.301 5.584 7.030) 9.565 34.695 ( 2.217 5.340 -6.955) 9.044 35.112 ( 4.607 -7.504 9.358) 12.850 35.340 ( 0.887 -9.620 -11.441) 14.974 36.515 ( -0.691 11.897 1.825) 12.056 36.584 ( -2.140 12.135 -5.383) 13.446 37.064 ( -0.953 -3.360 0.367) 3.512 37.090 ( -1.370 -3.004 -2.103) 3.915 38.435 ( -0.821 6.970 7.045) 9.944 38.560 ( -2.623 7.551 -4.552) 9.199 38.996 ( -11.599 -8.514 9.197) 17.076 39.107 ( -9.243 -7.619 -2.056) 12.154 40.424 ( 13.832 -1.388 4.683) 14.669 40.457 ( 20.814 -2.723 0.370) 20.994 40.999 ( 6.722 -0.148 1.388) 6.866 41.150 ( 5.595 -3.814 -11.719) 13.534 42.818 ( 1.544 1.038 4.659) 5.016 42.877 ( 1.045 0.345 0.599) 1.253 42.963 ( -0.474 -1.433 2.687) 3.082 42.998 ( -0.139 -2.061 0.809) 2.218 43.658 ( -1.435 -0.303 -0.081) 1.469 43.677 ( -0.670 -2.893 -1.495) 3.324 43.878 ( -3.558 -14.087 8.258) 16.712 43.988 ( -4.503 -11.841 -2.750) 12.963 90.327 ( 0.451 1.465 0.364) 1.576 90.335 ( 0.483 1.369 -0.425) 1.513 90.418 ( -0.600 1.518 0.895) 1.861 90.444 ( -1.035 1.408 -1.747) 2.470 94.010 ( 1.887 5.375 3.803) 6.850 94.104 ( 0.524 3.361 -5.108) 6.137 94.839 ( -1.716 -13.501 5.611) 14.721 94.884 ( -1.822 -16.953 1.984) 17.165 ======================= Grid point 114 (43/48) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 9.578 20.852 7.760) 24.223 2.193 ( 8.845 12.018 7.937) 16.902 2.527 ( 13.529 12.938 3.842) 19.110 2.689 ( -4.181 4.729 -4.955) 8.025 2.757 ( -8.924 7.175 4.000) 12.130 2.935 ( 3.467 4.236 -5.521) 7.775 3.080 ( -0.506 -3.047 4.082) 5.119 3.109 ( 3.038 5.074 -6.421) 8.729 3.164 ( 2.923 -1.460 8.043) 8.681 3.242 ( 6.053 2.408 -2.054) 6.831 3.420 ( -7.149 5.418 -0.120) 8.971 3.478 ( -0.689 2.726 -7.151) 7.684 3.624 ( 1.161 0.654 6.976) 7.102 3.689 ( -3.845 1.845 3.864) 5.755 3.812 ( 1.035 -5.337 -1.853) 5.743 3.884 ( -2.492 -4.065 -4.513) 6.565 3.988 ( 1.039 -2.749 3.028) 4.220 4.054 ( -2.039 -2.869 -1.528) 3.837 4.109 ( 4.322 -0.422 3.697) 5.703 4.206 ( 2.520 -0.726 -2.904) 3.913 4.344 ( 2.297 -5.388 -0.486) 5.877 4.376 ( -0.853 -4.837 1.598) 5.165 4.449 ( -2.139 -3.437 -0.151) 4.051 4.491 ( 1.876 -1.626 -7.591) 7.986 4.520 ( -1.038 -1.982 5.661) 6.087 4.672 ( -2.328 5.236 -5.700) 8.082 4.721 ( -8.875 -3.041 4.816) 10.546 4.857 ( -5.418 3.768 -6.263) 9.098 5.059 ( 7.893 4.138 1.787) 9.089 5.070 ( 5.020 2.969 0.464) 5.851 5.137 ( 8.376 7.449 6.132) 12.777 5.261 ( 9.120 0.387 2.455) 9.453 5.343 ( 11.227 9.886 -3.912) 15.462 5.448 ( -5.346 2.988 6.355) 8.826 5.483 ( 5.757 2.339 -5.939) 8.596 5.537 ( 0.149 4.209 -2.215) 4.759 5.634 ( -1.848 -3.661 0.545) 4.137 5.699 ( 5.198 1.474 2.094) 5.795 5.703 ( 5.131 -0.395 -4.033) 6.538 5.755 ( 1.406 3.285 1.907) 4.050 5.800 ( 5.408 -1.237 -1.142) 5.664 5.824 ( 3.161 0.600 -4.274) 5.349 5.972 ( -1.329 3.368 3.591) 5.099 5.981 ( 1.447 2.792 1.104) 3.333 6.056 ( 5.530 1.890 -1.274) 5.982 6.073 ( -1.026 2.325 -2.639) 3.664 6.177 ( 10.994 -0.786 2.514) 11.306 6.201 ( 4.180 -1.978 0.712) 4.679 6.276 ( 2.166 4.080 -0.231) 4.625 6.311 ( -2.504 0.571 -3.458) 4.308 6.452 ( -6.796 -1.434 1.008) 7.018 6.473 ( -2.822 -0.802 -1.635) 3.359 6.556 ( -4.229 -2.767 3.049) 5.902 6.633 ( 2.564 -1.920 -1.391) 3.492 6.778 ( -1.320 1.394 -0.422) 1.965 6.797 ( -4.129 -1.709 -2.602) 5.171 6.894 ( 3.637 4.827 1.251) 6.172 6.962 ( 3.683 2.850 -4.649) 6.580 7.070 ( -0.586 3.767 1.925) 4.271 7.097 ( 2.000 6.030 0.037) 6.353 7.139 ( 2.200 4.762 2.115) 5.656 7.205 ( 0.030 2.902 -2.161) 3.619 7.284 ( -4.910 5.215 4.171) 8.289 7.415 ( -5.753 3.675 -6.994) 9.774 7.548 ( -2.108 0.596 4.269) 4.798 7.623 ( -0.898 -2.806 -0.017) 2.946 7.730 ( -0.345 -2.904 -1.330) 3.212 7.780 ( -0.930 -4.260 -3.815) 5.794 8.064 ( 3.372 -11.256 -0.575) 11.765 8.097 ( 3.452 -10.926 -3.395) 11.950 8.500 ( -3.073 -11.562 3.077) 12.353 8.552 ( -5.003 -12.202 -1.759) 13.305 10.352 ( 1.402 1.291 4.115) 4.535 10.444 ( 0.142 -0.991 -2.874) 3.044 10.499 ( -1.299 0.028 -0.663) 1.458 10.525 ( -1.838 -0.461 -1.946) 2.716 11.142 ( 4.189 0.379 0.103) 4.208 11.150 ( 4.045 0.167 -0.653) 4.100 11.227 ( -1.024 -0.742 0.721) 1.455 11.235 ( -1.039 -0.672 0.141) 1.245 11.333 ( 0.328 -0.868 1.520) 1.781 11.351 ( -0.013 -1.124 0.159) 1.135 11.427 ( -3.263 0.996 1.344) 3.667 11.440 ( -3.832 0.573 0.021) 3.874 12.273 ( 3.336 0.820 -0.022) 3.436 12.311 ( 3.556 -0.177 -3.346) 4.886 12.704 ( -16.476 -1.027 1.844) 16.611 12.717 ( -15.241 -1.153 0.491) 15.292 13.982 ( 9.185 -0.115 0.380) 9.193 13.987 ( 9.124 -0.251 -0.022) 9.128 14.070 ( 6.118 -0.239 0.243) 6.128 14.081 ( 5.631 -0.488 -0.743) 5.701 15.343 ( 2.485 0.226 3.637) 4.411 15.374 ( 1.932 -0.714 0.803) 2.211 15.646 ( 0.018 1.940 0.581) 2.026 15.656 ( -0.378 2.156 -0.290) 2.208 15.710 ( -1.611 -0.105 1.367) 2.116 15.728 ( -0.736 0.157 -0.386) 0.845 15.809 ( -16.984 -0.530 3.719) 17.394 15.820 ( -16.261 -0.731 2.505) 16.469 18.044 ( 5.847 0.156 0.673) 5.887 18.057 ( 5.592 -0.217 -0.549) 5.623 18.193 ( -1.435 0.043 1.659) 2.194 18.199 ( -1.393 -0.143 1.155) 1.815 18.866 ( 0.207 0.924 -0.234) 0.975 18.883 ( -0.330 0.466 -1.783) 1.872 18.967 ( -4.382 0.647 -1.095) 4.563 18.974 ( -4.877 0.411 -1.751) 5.198 20.045 ( 0.282 5.093 0.075) 5.102 20.048 ( 0.114 5.102 -0.181) 5.106 20.357 ( 0.518 -2.998 0.032) 3.042 20.358 ( 0.447 -2.918 -0.092) 2.953 20.708 ( -0.402 7.577 0.524) 7.605 20.724 ( -1.476 8.114 -1.060) 8.315 21.184 ( -1.226 -5.391 0.286) 5.536 21.190 ( -1.519 -5.094 -0.263) 5.322 21.780 ( -0.600 0.136 0.109) 0.625 21.781 ( -0.659 0.102 -0.022) 0.668 21.788 ( -0.522 -0.015 0.049) 0.525 21.788 ( -0.533 -0.058 -0.010) 0.536 25.147 ( -0.504 -0.517 -0.164) 0.740 25.159 ( -0.480 -0.524 -1.305) 1.486 25.265 ( -3.706 -2.914 1.578) 4.972 25.292 ( -4.160 -3.184 -0.975) 5.328 25.834 ( 0.462 1.910 0.219) 1.977 25.838 ( 0.309 2.036 -0.130) 2.063 26.014 ( 0.372 -3.079 0.413) 3.129 26.025 ( -0.096 -3.094 -0.601) 3.153 27.337 ( 5.024 -0.117 0.822) 5.092 27.349 ( 5.408 -0.371 -0.239) 5.426 27.474 ( -2.755 0.686 2.211) 3.599 27.508 ( -3.205 -0.275 -0.899) 3.340 28.085 ( 0.913 2.835 -0.235) 2.988 28.088 ( 0.860 2.747 -0.478) 2.918 28.199 ( -1.144 1.609 0.165) 1.981 28.207 ( -1.614 1.763 -0.650) 2.477 28.677 ( 4.660 3.242 2.165) 6.076 28.751 ( 2.096 2.156 -4.305) 5.251 28.970 ( 2.495 -2.417 0.965) 3.605 29.038 ( -0.388 -3.266 -5.160) 6.119 29.775 ( 5.307 -0.557 5.946) 7.989 29.878 ( 5.239 -2.891 -3.532) 6.949 30.082 ( -8.100 -6.819 8.170) 13.374 30.209 ( -9.460 -9.116 -3.951) 13.719 31.228 ( 10.704 -0.611 1.991) 10.905 31.265 ( 10.936 -1.720 -1.471) 11.168 31.573 ( -4.795 -1.938 1.006) 5.269 31.598 ( -4.271 -2.638 -1.416) 5.216 34.622 ( 4.555 6.259 4.480) 8.944 34.723 ( 0.225 6.491 -4.682) 8.006 35.219 ( 6.019 -10.536 3.117) 12.528 35.348 ( -0.388 -10.692 -8.371) 13.584 36.504 ( -0.317 11.548 0.678) 11.572 36.540 ( -2.234 11.719 -3.060) 12.316 37.046 ( -0.785 -4.267 0.069) 4.340 37.060 ( -1.495 -4.049 -1.351) 4.523 38.427 ( 0.249 5.733 4.186) 7.102 38.501 ( -3.226 6.278 -2.674) 7.547 38.831 ( -5.057 -5.308 6.665) 9.908 38.926 ( -8.680 -5.421 -2.499) 10.534 40.701 ( 14.096 0.597 6.530) 15.547 40.809 ( 13.313 -1.047 -4.174) 13.991 41.133 ( 6.760 -4.029 1.580) 8.027 41.248 ( 3.382 -5.194 -8.883) 10.832 42.854 ( 2.135 0.353 4.120) 4.654 42.899 ( 0.843 -0.254 1.845) 2.044 42.954 ( -0.164 -1.530 1.762) 2.339 42.991 ( -0.678 -2.774 0.047) 2.856 43.631 ( -0.953 -1.813 1.618) 2.610 43.659 ( -1.215 -3.750 0.034) 3.942 43.811 ( -2.596 -10.823 3.770) 11.751 43.887 ( -5.569 -10.429 -2.642) 12.115 90.338 ( 0.738 1.713 0.285) 1.887 90.346 ( 0.600 1.715 -0.456) 1.873 90.405 ( -0.659 1.076 0.640) 1.414 90.421 ( -1.295 1.112 -0.958) 1.957 94.054 ( 2.466 6.314 2.498) 7.224 94.110 ( -0.157 5.322 -2.759) 5.997 94.810 ( -0.990 -13.902 3.670) 14.413 94.842 ( -2.314 -16.261 0.937) 16.451 ======================= Grid point 115 (44/48) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -3.696 14.179 -0.502) 14.662 2.304 ( 3.696 14.179 -0.502) 14.662 2.558 ( -0.933 6.781 3.617) 7.741 2.558 ( 0.933 6.781 3.617) 7.741 2.830 ( -12.011 10.106 1.449) 15.764 2.830 ( 12.011 10.106 1.449) 15.764 3.144 ( -3.662 1.467 0.549) 3.983 3.144 ( 3.662 1.467 0.549) 3.983 3.270 ( -7.434 -0.917 2.341) 7.847 3.270 ( 7.434 -0.917 2.341) 7.847 3.350 ( -5.680 2.176 -4.149) 7.362 3.350 ( 5.680 2.176 -4.149) 7.362 3.691 ( -4.362 4.363 4.133) 7.426 3.691 ( 4.362 4.363 4.133) 7.426 3.849 ( -1.656 -5.641 -4.888) 7.646 3.849 ( 1.656 -5.641 -4.888) 7.646 4.016 ( -2.382 -6.027 0.222) 6.485 4.016 ( 2.382 -6.027 0.222) 6.485 4.197 ( -4.724 -0.788 -1.684) 5.077 4.197 ( 4.724 -0.788 -1.684) 5.077 4.364 ( -1.477 -3.467 4.686) 6.013 4.364 ( 1.477 -3.467 4.686) 6.013 4.409 ( -3.250 4.618 1.991) 5.988 4.409 ( 3.250 4.618 1.991) 5.988 4.575 ( -5.657 -6.503 -1.714) 8.788 4.575 ( 5.657 -6.503 -1.714) 8.788 4.753 ( -7.227 0.057 -7.667) 10.537 4.753 ( 7.227 0.057 -7.667) 10.537 5.124 ( -0.816 4.504 0.550) 4.610 5.124 ( 0.816 4.504 0.550) 4.610 5.313 ( -7.847 6.058 7.877) 12.662 5.313 ( 7.847 6.058 7.877) 12.662 5.463 ( -7.122 0.927 2.346) 7.556 5.463 ( 7.122 0.927 2.346) 7.556 5.500 ( -1.942 3.922 -1.867) 4.758 5.500 ( 1.942 3.922 -1.867) 4.758 5.653 ( -5.157 -0.003 -1.038) 5.260 5.653 ( 5.157 -0.003 -1.038) 5.260 5.789 ( -0.301 4.473 -0.854) 4.564 5.789 ( 0.301 4.473 -0.854) 4.564 5.868 ( -1.459 0.342 -0.540) 1.592 5.868 ( 1.459 0.342 -0.540) 1.592 5.961 ( -2.573 3.436 -3.016) 5.246 5.961 ( 2.573 3.436 -3.016) 5.246 6.134 ( -5.673 3.775 0.945) 6.879 6.134 ( 5.673 3.775 0.945) 6.879 6.230 ( -5.300 -1.397 -0.761) 5.534 6.230 ( 5.300 -1.397 -0.761) 5.534 6.272 ( -1.090 -1.299 2.494) 3.016 6.272 ( 1.090 -1.299 2.494) 3.016 6.425 ( -3.824 -2.463 1.946) 4.948 6.425 ( 3.824 -2.463 1.946) 4.948 6.562 ( -8.166 2.919 -4.657) 9.844 6.562 ( 8.166 2.919 -4.657) 9.844 6.774 ( -1.881 -0.206 -1.106) 2.192 6.774 ( 1.881 -0.206 -1.106) 2.192 6.992 ( -5.588 2.405 4.010) 7.286 6.992 ( 5.588 2.405 4.010) 7.286 7.089 ( -7.720 1.585 -4.045) 8.859 7.089 ( 7.720 1.585 -4.045) 8.859 7.180 ( -1.710 5.038 1.411) 5.505 7.180 ( 1.710 5.038 1.411) 5.505 7.274 ( -5.639 7.975 -3.816) 10.487 7.274 ( 5.639 7.975 -3.816) 10.487 7.588 ( -3.215 -5.542 3.671) 7.385 7.588 ( 3.215 -5.542 3.671) 7.385 7.739 ( -2.206 -2.449 -4.605) 5.663 7.739 ( 2.206 -2.449 -4.605) 5.663 8.124 ( -1.488 -10.017 -0.751) 10.155 8.124 ( 1.488 -10.017 -0.751) 10.155 8.480 ( -1.716 -12.828 0.220) 12.944 8.480 ( 1.716 -12.828 0.220) 12.944 10.418 ( -4.461 1.135 0.434) 4.624 10.418 ( 4.461 1.135 0.434) 4.624 10.485 ( -1.844 -0.793 -0.356) 2.039 10.485 ( 1.844 -0.793 -0.356) 2.039 11.196 ( -0.524 -0.121 -0.607) 0.811 11.196 ( 0.524 -0.121 -0.607) 0.811 11.212 ( -0.651 -0.737 0.290) 1.025 11.212 ( 0.651 -0.737 0.290) 1.025 11.362 ( -1.973 0.366 1.114) 2.295 11.362 ( 1.973 0.366 1.114) 2.295 11.376 ( -1.643 -0.326 0.631) 1.790 11.376 ( 1.643 -0.326 0.631) 1.790 12.367 ( -3.186 1.621 -0.934) 3.695 12.367 ( 3.186 1.621 -0.934) 3.695 12.507 ( -2.472 -2.311 -0.311) 3.398 12.507 ( 2.472 -2.311 -0.311) 3.398 14.109 ( -0.295 -0.173 -0.087) 0.353 14.109 ( 0.295 -0.173 -0.087) 0.353 14.115 ( -0.406 -0.459 -0.150) 0.631 14.115 ( 0.406 -0.459 -0.150) 0.631 15.454 ( -2.954 0.856 3.229) 4.459 15.454 ( 2.954 0.856 3.229) 4.459 15.542 ( -2.289 -2.191 2.908) 4.301 15.542 ( 2.289 -2.191 2.908) 4.301 15.651 ( -0.224 2.192 0.085) 2.205 15.651 ( 0.224 2.192 0.085) 2.205 15.726 ( -0.152 -0.049 0.198) 0.254 15.726 ( 0.152 -0.049 0.198) 0.254 18.140 ( -3.766 0.095 1.127) 3.932 18.140 ( 3.766 0.095 1.127) 3.932 18.150 ( -3.526 -0.152 0.675) 3.593 18.150 ( 3.526 -0.152 0.675) 3.593 18.894 ( -2.085 0.775 -1.163) 2.510 18.894 ( 2.085 0.775 -1.163) 2.510 18.902 ( -1.460 0.417 -1.518) 2.147 18.902 ( 1.460 0.417 -1.518) 2.147 20.048 ( -0.071 5.267 -0.044) 5.267 20.048 ( 0.071 5.267 -0.044) 5.267 20.362 ( -0.041 -2.865 -0.039) 2.866 20.362 ( 0.041 -2.865 -0.039) 2.866 20.707 ( -0.379 7.351 -0.084) 7.361 20.707 ( 0.379 7.351 -0.084) 7.361 21.172 ( -0.159 -5.384 0.015) 5.386 21.172 ( 0.159 -5.384 0.015) 5.386 21.774 ( -0.047 0.138 0.043) 0.152 21.774 ( 0.047 0.138 0.043) 0.152 21.783 ( -0.032 -0.038 0.001) 0.050 21.783 ( 0.032 -0.038 0.001) 0.050 25.151 ( -0.667 -0.234 -0.558) 0.900 25.151 ( 0.667 -0.234 -0.558) 0.900 25.235 ( -1.112 -2.918 -0.040) 3.123 25.235 ( 1.112 -2.918 -0.040) 3.123 25.840 ( -0.101 2.008 0.052) 2.011 25.840 ( 0.101 2.008 0.052) 2.011 26.021 ( -0.308 -2.981 -0.083) 2.998 26.021 ( 0.308 -2.981 -0.083) 2.998 27.417 ( -3.483 0.216 1.618) 3.846 27.417 ( 3.483 0.216 1.618) 3.846 27.440 ( -4.178 -0.419 -0.512) 4.230 27.440 ( 4.178 -0.419 -0.512) 4.230 28.097 ( -0.108 3.449 -0.623) 3.507 28.097 ( 0.108 3.449 -0.623) 3.507 28.187 ( -0.213 0.961 0.325) 1.037 28.187 ( 0.213 0.961 0.325) 1.037 28.746 ( -2.315 3.711 -0.626) 4.419 28.746 ( 2.315 3.711 -0.626) 4.419 29.017 ( -1.983 -3.435 -3.034) 4.993 29.017 ( 1.983 -3.435 -3.034) 4.993 29.890 ( -6.085 -1.950 5.790) 8.623 29.890 ( 6.085 -1.950 5.790) 8.623 30.047 ( -6.748 -6.700 -2.484) 9.828 30.047 ( 6.748 -6.700 -2.484) 9.828 31.395 ( -3.467 0.031 0.555) 3.511 31.395 ( 3.467 0.031 0.555) 3.511 31.499 ( -3.052 -3.634 -0.175) 4.749 31.499 ( 3.052 -3.634 -0.175) 4.749 34.697 ( -2.937 6.778 0.189) 7.389 34.697 ( 2.937 6.778 0.189) 7.389 35.313 ( -3.562 -11.391 -3.554) 12.453 35.313 ( 3.562 -11.391 -3.554) 12.453 36.509 ( -0.961 11.441 -0.932) 11.519 36.509 ( 0.961 11.441 -0.932) 11.519 37.042 ( -0.393 -4.634 -0.549) 4.683 37.042 ( 0.393 -4.634 -0.549) 4.683 38.449 ( -2.092 5.452 0.564) 5.866 38.449 ( 2.092 5.452 0.564) 5.866 38.813 ( -2.915 -4.611 1.294) 5.606 38.813 ( 2.915 -4.611 1.294) 5.606 40.890 ( -4.398 2.789 2.778) 5.902 40.890 ( 4.398 2.789 2.778) 5.902 41.242 ( -3.993 -7.221 -4.801) 9.546 41.242 ( 3.993 -7.221 -4.801) 9.546 42.890 ( -1.539 -0.200 3.929) 4.225 42.890 ( 1.539 -0.200 3.929) 4.225 42.970 ( -1.456 -2.450 -0.288) 2.864 42.970 ( 1.456 -2.450 -0.288) 2.864 43.634 ( -1.151 -3.410 2.207) 4.222 43.634 ( 1.151 -3.410 2.207) 4.222 43.807 ( -2.313 -9.472 -1.150) 9.818 43.807 ( 2.313 -9.472 -1.150) 9.818 90.350 ( -0.305 2.030 -0.075) 2.054 90.350 ( 0.305 2.030 -0.075) 2.054 90.402 ( -0.520 0.732 -0.090) 0.902 90.402 ( 0.520 0.732 -0.090) 0.902 94.094 ( -1.579 6.557 0.155) 6.746 94.094 ( 1.579 6.557 0.155) 6.746 94.809 ( -0.942 -15.104 1.589) 15.216 94.809 ( 0.942 -15.104 1.589) 15.216 ======================= Grid point 119 (45/48) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.000 7.656 18.277) 19.815 2.176 ( 0.000 2.128 13.292) 13.462 2.298 ( 0.000 -0.654 -1.290) 1.446 2.373 ( 0.000 -4.374 -4.723) 6.437 2.863 ( 0.000 1.406 1.464) 2.030 2.897 ( 0.000 -0.674 -2.769) 2.850 3.110 ( 0.000 18.092 6.129) 19.102 3.204 ( 0.000 9.321 -1.272) 9.408 3.392 ( 0.000 0.726 -2.684) 2.781 3.412 ( 0.000 1.096 -1.727) 2.046 3.570 ( 0.000 3.436 4.850) 5.944 3.578 ( 0.000 2.457 3.470) 4.252 3.759 ( 0.000 6.247 5.045) 8.030 3.768 ( 0.000 0.136 4.735) 4.737 3.877 ( 0.000 -5.779 2.202) 6.184 3.940 ( 0.000 -6.509 -2.305) 6.905 4.020 ( 0.000 2.004 11.335) 11.511 4.054 ( 0.000 -1.386 -1.977) 2.414 4.120 ( 0.000 -4.552 -3.624) 5.818 4.151 ( 0.000 -6.852 8.130) 10.632 4.174 ( 0.000 1.203 -1.366) 1.820 4.179 ( 0.000 1.043 -1.648) 1.950 4.359 ( 0.000 3.147 -2.480) 4.007 4.445 ( 0.000 -2.972 -7.173) 7.764 4.649 ( 0.000 0.367 -9.072) 9.080 4.664 ( 0.000 1.191 -5.265) 5.398 4.796 ( 0.000 1.523 0.615) 1.642 4.867 ( 0.000 -5.644 -6.282) 8.445 4.927 ( 0.000 3.206 0.225) 3.214 4.944 ( 0.000 0.799 -1.137) 1.390 5.026 ( 0.000 4.250 4.267) 6.023 5.127 ( 0.000 -5.458 4.716) 7.213 5.201 ( 0.000 4.531 -5.760) 7.328 5.289 ( 0.000 -4.409 -4.124) 6.037 5.402 ( 0.000 0.538 -4.539) 4.571 5.411 ( 0.000 0.123 -4.298) 4.299 5.546 ( 0.000 5.873 2.974) 6.583 5.553 ( 0.000 1.505 1.686) 2.260 5.595 ( 0.000 -1.672 6.998) 7.195 5.683 ( 0.000 -3.503 -0.488) 3.537 5.721 ( 0.000 3.557 2.590) 4.400 5.768 ( 0.000 -0.006 2.088) 2.088 5.774 ( 0.000 -6.014 -1.282) 6.149 5.805 ( 0.000 -1.973 -0.302) 1.996 6.107 ( 0.000 -1.497 -0.015) 1.498 6.156 ( 0.000 -5.197 -3.534) 6.285 6.199 ( 0.000 1.869 -3.153) 3.666 6.202 ( 0.000 1.790 -3.156) 3.628 6.346 ( 0.000 11.654 3.227) 12.092 6.428 ( 0.000 9.710 -3.218) 10.229 6.495 ( 0.000 3.429 -0.193) 3.434 6.497 ( 0.000 3.617 -1.088) 3.777 6.577 ( 0.000 -4.462 3.403) 5.612 6.678 ( 0.000 -9.438 -3.806) 10.177 6.782 ( 0.000 2.865 -2.976) 4.131 6.798 ( 0.000 -0.513 -3.367) 3.406 7.004 ( 0.000 3.392 2.211) 4.049 7.013 ( 0.000 1.713 1.833) 2.508 7.157 ( 0.000 6.698 0.171) 6.700 7.196 ( 0.000 6.479 -2.790) 7.055 7.284 ( 0.000 1.704 1.019) 1.985 7.295 ( 0.000 2.710 0.399) 2.739 7.442 ( 0.000 -3.178 1.448) 3.492 7.484 ( 0.000 -5.541 -2.054) 5.909 7.508 ( 0.000 4.875 5.960) 7.700 7.605 ( 0.000 0.351 -1.633) 1.670 7.679 ( 0.000 -1.803 1.544) 2.373 7.684 ( 0.000 -1.284 0.939) 1.591 7.807 ( 0.000 -7.286 -2.355) 7.657 7.889 ( 0.000 -9.625 -8.486) 12.832 8.440 ( 0.000 -3.322 2.860) 4.384 8.486 ( 0.000 -7.417 -1.512) 7.569 10.398 ( 0.000 0.623 3.243) 3.302 10.421 ( 0.000 -1.526 1.241) 1.967 10.509 ( 0.000 0.370 -3.588) 3.607 10.521 ( 0.000 -0.838 -4.864) 4.935 11.037 ( 0.000 0.120 0.190) 0.224 11.039 ( 0.000 -0.029 0.055) 0.062 11.219 ( 0.000 -0.189 0.065) 0.199 11.219 ( 0.000 -0.192 0.070) 0.204 11.354 ( 0.000 0.130 1.564) 1.570 11.360 ( 0.000 -0.498 1.018) 1.133 11.517 ( 0.000 0.721 0.857) 1.120 11.526 ( 0.000 -0.132 0.061) 0.145 12.253 ( 0.000 0.372 -2.043) 2.077 12.259 ( 0.000 -0.236 -2.578) 2.589 13.119 ( 0.000 0.059 3.986) 3.986 13.127 ( 0.000 -0.719 3.463) 3.537 13.752 ( 0.000 0.121 0.010) 0.121 13.757 ( 0.000 -0.306 -0.440) 0.536 13.885 ( 0.000 0.437 0.753) 0.870 13.894 ( 0.000 -0.366 0.030) 0.367 15.366 ( 0.000 0.539 1.283) 1.392 15.376 ( 0.000 -0.521 0.255) 0.580 15.676 ( 0.000 1.057 0.594) 1.213 15.685 ( 0.000 0.284 -0.142) 0.317 15.737 ( 0.000 0.602 0.886) 1.071 15.745 ( 0.000 -0.171 0.104) 0.200 16.220 ( 0.000 0.205 3.493) 3.499 16.224 ( 0.000 -0.092 3.154) 3.156 17.899 ( 0.000 0.258 -0.871) 0.909 17.906 ( 0.000 -0.381 -1.437) 1.487 18.205 ( 0.000 0.157 1.970) 1.977 18.206 ( 0.000 0.019 1.807) 1.807 18.905 ( 0.000 0.775 -0.103) 0.782 18.915 ( 0.000 -0.152 -0.963) 0.975 19.096 ( 0.000 0.581 -1.055) 1.204 19.102 ( 0.000 -0.013 -1.585) 1.585 20.135 ( 0.000 4.878 0.202) 4.882 20.142 ( 0.000 4.708 -0.479) 4.732 20.259 ( 0.000 -4.300 0.422) 4.321 20.265 ( 0.000 -4.365 -0.175) 4.368 20.909 ( 0.000 9.183 1.727) 9.344 20.958 ( 0.000 7.845 -2.984) 8.393 21.098 ( 0.000 -6.976 1.043) 7.053 21.126 ( 0.000 -6.378 -1.566) 6.567 21.802 ( 0.000 0.044 0.133) 0.140 21.803 ( 0.000 -0.053 0.063) 0.082 21.805 ( 0.000 0.024 0.027) 0.036 21.805 ( 0.000 0.021 0.033) 0.039 25.169 ( 0.000 -0.220 -0.077) 0.233 25.174 ( 0.000 -0.681 -0.449) 0.816 25.323 ( 0.000 -1.182 0.652) 1.350 25.336 ( 0.000 -2.236 -0.575) 2.309 25.866 ( 0.000 2.871 0.487) 2.912 25.876 ( 0.000 3.073 -0.517) 3.116 25.932 ( 0.000 -3.617 0.641) 3.673 25.946 ( 0.000 -3.798 -0.719) 3.866 27.196 ( 0.000 0.025 0.006) 0.025 27.197 ( 0.000 -0.072 -0.086) 0.112 27.572 ( 0.000 0.997 1.338) 1.668 27.586 ( 0.000 -0.391 0.044) 0.394 28.092 ( 0.000 0.724 0.348) 0.804 28.092 ( 0.000 0.734 0.344) 0.810 28.274 ( 0.000 1.677 -1.595) 2.314 28.285 ( 0.000 0.735 -2.897) 2.988 28.574 ( 0.000 1.379 -0.131) 1.385 28.603 ( 0.000 -1.453 -2.983) 3.318 28.946 ( 0.000 0.769 0.997) 1.259 28.976 ( 0.000 -2.174 -1.674) 2.744 29.687 ( 0.000 1.304 2.138) 2.505 29.722 ( 0.000 -2.112 -1.106) 2.384 30.152 ( 0.000 -1.917 5.447) 5.775 30.216 ( 0.000 -8.031 -0.753) 8.067 30.968 ( 0.000 -0.070 0.407) 0.413 30.969 ( 0.000 -0.177 0.317) 0.364 31.622 ( 0.000 -0.427 -1.099) 1.179 31.624 ( 0.000 -0.651 -1.305) 1.458 34.631 ( 0.000 6.240 7.541) 9.788 34.723 ( 0.000 -1.195 1.450) 1.879 35.012 ( 0.000 2.089 0.468) 2.141 35.141 ( 0.000 -9.049 -9.097) 12.831 36.742 ( 0.000 8.921 1.402) 9.031 36.798 ( 0.000 5.278 -4.065) 6.662 37.005 ( 0.000 -2.837 -0.680) 2.917 37.035 ( 0.000 -4.098 -3.432) 5.345 38.628 ( 0.000 10.267 9.238) 13.811 38.756 ( 0.000 5.971 -2.112) 6.334 38.906 ( 0.000 -8.583 7.624) 11.480 39.008 ( 0.000 -10.114 -1.956) 10.301 40.225 ( 0.000 1.570 6.310) 6.503 40.257 ( 0.000 -1.470 4.130) 4.384 40.955 ( 0.000 2.264 -4.631) 5.154 41.015 ( 0.000 -3.599 -9.533) 10.189 42.836 ( 0.000 1.935 5.533) 5.861 42.869 ( 0.000 -0.830 4.512) 4.588 42.946 ( 0.000 -0.121 -0.009) 0.121 42.965 ( 0.000 -1.605 0.246) 1.623 43.650 ( 0.000 -0.168 1.898) 1.906 43.700 ( 0.000 -4.548 4.642) 6.498 43.710 ( 0.000 1.960 -1.161) 2.278 43.822 ( 0.000 -8.185 -4.517) 9.348 90.345 ( 0.000 0.710 0.224) 0.745 90.348 ( 0.000 0.405 -0.102) 0.418 90.453 ( 0.000 1.187 0.251) 1.214 90.468 ( 0.000 -0.123 -1.144) 1.150 94.097 ( 0.000 4.874 1.588) 5.126 94.141 ( 0.000 0.909 -2.572) 2.728 94.636 ( 0.000 -6.815 3.700) 7.754 94.644 ( 0.000 -7.642 3.072) 8.237 ======================= Grid point 120 (46/48) ======================= q-point: ( 0.17 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 9.138 9.044 16.357) 20.805 2.343 ( 5.136 -4.746 1.963) 7.264 2.373 ( 14.200 7.756 10.852) 19.483 2.525 ( 12.414 -6.216 -2.252) 14.065 2.880 ( 3.495 5.623 0.913) 6.684 2.925 ( 4.228 0.490 -1.501) 4.513 3.168 ( 0.106 9.871 0.600) 9.889 3.214 ( -3.076 6.482 -1.406) 7.312 3.248 ( -3.105 2.465 0.940) 4.074 3.287 ( -4.594 -1.083 -4.954) 6.842 3.576 ( -3.568 11.660 5.238) 13.271 3.618 ( -2.320 3.233 5.545) 6.824 3.661 ( -2.263 3.516 -0.090) 4.182 3.774 ( -2.135 2.589 -2.544) 4.211 3.861 ( 0.641 -7.820 3.169) 8.462 3.904 ( -4.640 -4.319 1.014) 6.420 3.942 ( -8.034 -2.733 0.780) 8.522 3.992 ( -3.542 -7.247 -1.409) 8.188 4.111 ( 0.219 1.079 2.346) 2.591 4.164 ( -0.939 -3.180 -1.832) 3.788 4.185 ( 3.462 1.136 -3.882) 5.324 4.205 ( 1.870 -1.723 -0.640) 2.622 4.331 ( -2.253 -0.591 -1.805) 2.947 4.384 ( -3.933 -5.644 -2.287) 7.249 4.657 ( 1.412 2.843 3.556) 4.766 4.708 ( 2.428 -1.072 -0.028) 2.654 4.893 ( 4.335 3.427 -1.042) 5.624 4.941 ( 5.823 0.223 -0.198) 5.831 4.992 ( 3.774 3.130 0.846) 4.975 5.032 ( 4.410 1.085 1.028) 4.657 5.081 ( 1.319 -1.518 -3.797) 4.296 5.093 ( -0.708 -1.664 2.762) 3.301 5.324 ( 12.108 5.115 -3.406) 13.578 5.361 ( 13.126 0.423 -3.862) 13.689 5.452 ( 4.216 2.257 -1.014) 4.889 5.479 ( 6.403 0.020 -4.906) 8.067 5.594 ( 4.820 -0.817 1.332) 5.067 5.610 ( 2.541 -1.714 0.581) 3.120 5.649 ( 6.093 1.497 3.208) 7.047 5.689 ( 2.678 -2.001 -0.100) 3.344 5.749 ( 1.074 4.704 0.472) 4.848 5.817 ( 1.915 -0.535 -3.345) 3.892 5.829 ( 9.083 -0.975 4.850) 10.343 5.871 ( 8.681 -5.365 1.377) 10.297 6.059 ( -2.756 0.932 1.074) 3.101 6.131 ( -2.209 -3.280 -4.512) 6.000 6.140 ( -3.892 0.553 -2.612) 4.719 6.152 ( -2.832 0.757 -3.644) 4.677 6.279 ( -5.354 6.797 1.272) 8.745 6.337 ( -5.498 2.563 -3.708) 7.110 6.521 ( 0.446 0.262 2.142) 2.204 6.535 ( 0.366 -1.621 0.899) 1.889 6.617 ( 0.716 5.104 2.503) 5.730 6.711 ( -6.415 -0.876 0.630) 6.505 6.753 ( 3.829 -0.246 -6.873) 7.871 6.802 ( 0.627 -2.395 -5.182) 5.743 6.977 ( -1.218 4.185 2.353) 4.953 7.013 ( -0.300 0.909 -0.320) 1.009 7.134 ( -0.636 7.728 2.299) 8.087 7.209 ( 1.042 5.056 -3.546) 6.263 7.273 ( -1.438 2.816 2.601) 4.094 7.285 ( 0.076 1.672 0.919) 1.910 7.395 ( -3.141 0.167 3.239) 4.515 7.443 ( -2.018 3.333 1.528) 4.185 7.542 ( 1.001 -4.200 1.254) 4.496 7.602 ( 0.594 -4.921 -0.475) 4.980 7.705 ( -1.762 -0.335 -0.143) 1.799 7.768 ( 6.706 1.255 0.871) 6.878 7.790 ( -0.838 -7.649 -3.878) 8.617 7.864 ( -0.187 -7.416 -8.062) 10.956 8.392 ( -4.760 -4.593 2.679) 7.136 8.431 ( -5.402 -8.037 -0.993) 9.734 10.383 ( -1.072 1.244 3.104) 3.512 10.414 ( -0.532 -1.817 0.960) 2.122 10.512 ( 0.204 0.444 -3.463) 3.497 10.524 ( 0.242 -0.720 -4.127) 4.196 11.073 ( 3.555 0.255 0.196) 3.570 11.076 ( 3.640 0.001 -0.049) 3.640 11.223 ( 0.214 -0.214 0.121) 0.326 11.225 ( 0.356 -0.435 -0.056) 0.565 11.340 ( -1.238 0.114 1.521) 1.965 11.348 ( -1.157 -0.598 0.899) 1.582 11.497 ( -2.077 0.690 0.915) 2.372 11.505 ( -2.194 -0.052 0.213) 2.205 12.255 ( 0.527 0.521 -1.644) 1.804 12.264 ( 0.792 -0.407 -2.460) 2.616 12.986 ( -13.049 -0.162 2.955) 13.380 12.990 ( -13.387 -0.559 2.741) 13.676 13.820 ( 6.862 0.054 0.192) 6.865 13.823 ( 6.756 -0.207 -0.122) 6.760 13.946 ( 5.834 0.274 0.360) 5.851 13.952 ( 5.718 -0.330 -0.211) 5.731 15.351 ( -1.192 0.548 1.747) 2.185 15.363 ( -1.142 -0.610 0.662) 1.454 15.677 ( 0.118 1.121 0.659) 1.306 15.686 ( 0.135 0.366 -0.097) 0.402 15.730 ( -0.691 0.540 0.877) 1.240 15.739 ( -0.611 -0.269 0.036) 0.669 16.099 ( -12.305 0.131 3.453) 12.781 16.103 ( -12.289 -0.189 3.106) 12.677 17.945 ( 4.524 0.265 -0.524) 4.562 17.951 ( 4.490 -0.346 -1.066) 4.628 18.206 ( -0.042 0.130 1.820) 1.826 18.208 ( -0.012 -0.041 1.663) 1.664 18.895 ( -0.924 0.757 -0.246) 1.220 18.904 ( -0.993 -0.114 -1.048) 1.448 19.059 ( -3.601 0.529 -1.130) 3.811 19.065 ( -3.691 0.016 -1.588) 4.018 20.142 ( 0.629 5.093 0.154) 5.134 20.147 ( 0.504 4.987 -0.403) 5.028 20.263 ( 0.451 -4.506 0.339) 4.541 20.269 ( 0.352 -4.537 -0.161) 4.553 20.899 ( -0.982 9.129 1.424) 9.291 20.939 ( -1.907 8.316 -2.387) 8.859 21.081 ( -1.549 -7.344 0.982) 7.569 21.105 ( -1.974 -6.735 -1.284) 7.135 21.795 ( -0.635 0.091 0.115) 0.651 21.796 ( -0.640 -0.002 0.010) 0.640 21.798 ( -0.591 -0.020 0.078) 0.596 21.799 ( -0.604 -0.025 0.044) 0.606 25.157 ( -1.080 -0.137 -0.108) 1.094 25.162 ( -1.036 -0.614 -0.519) 1.311 25.292 ( -3.056 -0.961 0.569) 3.253 25.306 ( -3.010 -2.143 -0.684) 3.758 25.872 ( 0.528 2.862 0.465) 2.947 25.881 ( 0.451 3.069 -0.482) 3.139 25.937 ( 0.473 -3.536 0.601) 3.618 25.951 ( 0.385 -3.724 -0.721) 3.812 27.241 ( 4.416 0.074 0.219) 4.422 27.244 ( 4.501 -0.213 -0.057) 4.507 27.544 ( -2.579 0.928 1.301) 3.034 27.558 ( -2.619 -0.444 0.023) 2.657 28.102 ( 1.059 0.880 0.347) 1.420 28.102 ( 1.074 0.819 0.307) 1.385 28.261 ( -1.376 1.522 -1.321) 2.440 28.271 ( -1.532 0.681 -2.417) 2.942 28.630 ( 5.457 2.038 0.117) 5.826 28.665 ( 5.835 -1.295 -3.216) 6.787 28.941 ( -0.393 0.860 1.193) 1.523 28.977 ( -0.044 -2.657 -2.276) 3.499 29.713 ( 2.657 1.324 2.176) 3.680 29.749 ( 2.794 -2.204 -1.180) 3.749 30.105 ( -4.617 -1.674 4.997) 7.006 30.166 ( -4.973 -7.406 -0.816) 8.959 31.042 ( 7.586 0.111 0.697) 7.618 31.049 ( 7.981 -0.641 0.010) 8.007 31.609 ( -1.647 -0.424 -0.682) 1.832 31.614 ( -1.435 -0.892 -1.128) 2.031 34.673 ( 4.205 6.857 6.546) 10.370 34.771 ( 4.663 -0.480 -0.706) 4.741 35.015 ( 0.313 0.655 1.497) 1.664 35.142 ( -0.054 -9.471 -8.347) 12.625 36.735 ( -0.636 9.166 1.142) 9.258 36.784 ( -1.344 6.368 -3.733) 7.503 36.980 ( -2.342 -3.907 -0.255) 4.562 37.009 ( -2.575 -4.788 -2.961) 6.191 38.597 ( -2.699 8.875 8.225) 12.397 38.714 ( -3.935 4.915 -1.642) 6.507 38.824 ( -6.807 -5.508 6.845) 11.114 38.937 ( -6.718 -9.025 -2.987) 11.641 40.406 ( 15.344 -0.215 4.460) 15.981 40.417 ( 16.863 -1.295 3.305) 17.233 41.017 ( 5.423 1.918 -3.085) 6.527 41.073 ( 5.154 -3.562 -7.944) 10.117 42.846 ( 0.975 1.714 5.116) 5.483 42.876 ( 0.718 -0.827 4.156) 4.297 42.941 ( -0.527 -0.296 0.458) 0.758 42.958 ( -0.763 -1.684 0.594) 1.941 43.634 ( -1.526 -0.328 1.822) 2.399 43.677 ( -2.191 -2.271 1.381) 3.444 43.691 ( -1.826 -0.421 1.018) 2.132 43.790 ( -3.263 -7.613 -4.245) 9.307 90.350 ( 0.611 0.766 0.217) 1.003 90.354 ( 0.643 0.434 -0.137) 0.788 90.445 ( -0.881 1.079 0.239) 1.413 90.457 ( -1.047 -0.058 -0.976) 1.432 94.129 ( 3.233 5.604 1.583) 6.660 94.170 ( 2.934 2.054 -2.355) 4.286 94.609 ( -2.652 -7.635 3.212) 8.697 94.617 ( -2.760 -8.308 2.645) 9.145 ======================= Grid point 121 (47/48) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 8.324 6.358 7.595) 12.939 2.404 ( 3.975 3.283 2.451) 5.708 2.610 ( 6.671 0.891 3.303) 7.497 2.661 ( -0.296 -4.170 -1.173) 4.342 2.997 ( -0.190 8.676 0.043) 8.678 3.060 ( 11.146 4.989 -0.304) 12.216 3.104 ( 1.565 3.616 2.096) 4.463 3.158 ( 2.324 0.729 5.076) 5.630 3.219 ( -2.336 4.676 -4.227) 6.722 3.285 ( -0.242 -0.250 -2.974) 2.994 3.530 ( -3.786 5.929 2.400) 7.433 3.594 ( -1.855 1.184 -0.167) 2.207 3.630 ( -0.618 5.467 -0.267) 5.509 3.706 ( -1.757 0.631 -5.505) 5.813 3.746 ( -4.951 0.519 6.862) 8.477 3.810 ( -6.155 -5.993 1.758) 8.769 3.943 ( 2.743 -0.457 1.774) 3.298 3.979 ( 0.501 -4.212 -1.612) 4.538 4.080 ( -0.912 -1.220 0.800) 1.721 4.141 ( -1.452 -6.080 -1.980) 6.557 4.233 ( 4.813 -1.813 4.803) 7.037 4.273 ( -1.158 -4.232 3.924) 5.887 4.378 ( 6.239 -1.882 -8.134) 10.423 4.400 ( 13.551 -4.261 -10.880) 17.893 4.578 ( -9.964 4.129 8.938) 14.008 4.647 ( -10.071 -2.713 8.188) 13.260 4.834 ( -9.629 7.019 -7.106) 13.873 4.911 ( -8.892 0.010 -8.486) 12.292 5.105 ( 8.695 3.382 3.054) 9.817 5.134 ( 7.553 3.260 -0.393) 8.236 5.194 ( 10.248 -2.711 3.217) 11.078 5.213 ( 10.007 -4.472 0.977) 11.004 5.475 ( 1.995 3.008 0.206) 3.616 5.501 ( -1.233 3.369 -1.675) 3.960 5.528 ( 1.975 -2.473 0.618) 3.225 5.550 ( 1.585 2.007 0.675) 2.645 5.681 ( 4.808 1.778 1.215) 5.268 5.699 ( 3.449 1.562 -3.059) 4.868 5.774 ( 5.415 2.376 -2.153) 6.293 5.792 ( 6.118 -0.832 -0.872) 6.236 5.831 ( 10.095 6.057 0.486) 11.783 5.856 ( 3.477 5.939 -1.412) 7.026 6.016 ( 6.141 -1.745 2.656) 6.914 6.055 ( 0.484 3.559 2.203) 4.213 6.086 ( 7.210 -2.898 4.849) 9.160 6.114 ( 3.217 -3.234 -3.212) 5.579 6.137 ( -0.283 3.251 -1.363) 3.537 6.152 ( 6.146 -0.780 2.386) 6.639 6.258 ( 1.290 -1.518 -5.100) 5.475 6.283 ( 7.746 -2.246 -7.962) 11.333 6.454 ( -8.409 1.921 5.709) 10.344 6.494 ( -11.101 -0.914 -1.092) 11.192 6.513 ( -4.450 0.092 1.518) 4.703 6.569 ( -1.822 -4.438 0.374) 4.812 6.789 ( -3.608 1.107 -4.495) 5.869 6.799 ( -0.548 0.445 -5.084) 5.133 6.984 ( 1.929 3.513 1.059) 4.146 7.016 ( 1.333 0.906 -2.067) 2.621 7.172 ( -0.059 6.331 4.549) 7.796 7.199 ( -0.019 4.028 1.987) 4.492 7.249 ( -2.514 0.706 2.432) 3.568 7.313 ( 2.224 6.881 -1.765) 7.444 7.347 ( 0.657 1.295 2.878) 3.223 7.426 ( 0.381 3.478 0.930) 3.620 7.534 ( -2.215 -5.093 1.319) 5.709 7.610 ( -6.569 3.655 -4.433) 8.727 7.619 ( 1.343 -8.798 -1.774) 9.075 7.722 ( -4.044 -5.552 -7.697) 10.316 7.905 ( 7.291 -0.191 1.479) 7.442 7.946 ( 6.194 -2.664 -2.564) 7.214 8.280 ( -6.595 -7.961 2.383) 10.609 8.307 ( -7.094 -10.040 -0.246) 12.296 10.383 ( 1.595 1.689 2.523) 3.430 10.417 ( 1.238 -1.624 0.300) 2.064 10.505 ( -1.536 0.458 -1.986) 2.553 10.515 ( -1.621 -0.544 -2.160) 2.755 11.149 ( 3.793 0.298 -0.001) 3.805 11.152 ( 3.728 0.018 -0.270) 3.737 11.217 ( -0.824 -0.141 -0.036) 0.836 11.222 ( -0.776 -0.561 -0.402) 1.039 11.324 ( 0.304 -0.026 1.371) 1.405 11.332 ( 0.131 -0.740 0.761) 1.069 11.442 ( -3.657 0.528 1.058) 3.843 11.447 ( -3.824 0.081 0.605) 3.872 12.290 ( 3.823 0.832 -0.907) 4.016 12.304 ( 3.980 -0.522 -2.121) 4.540 12.690 ( -16.498 -0.196 1.296) 16.550 12.697 ( -16.014 -0.765 0.687) 16.046 13.981 ( 9.130 0.001 0.227) 9.133 13.983 ( 9.092 -0.159 0.071) 9.093 14.068 ( 5.824 0.052 -0.132) 5.826 14.072 ( 5.664 -0.335 -0.506) 5.697 15.350 ( 2.293 0.439 2.696) 3.566 15.361 ( 2.118 -0.614 1.722) 2.797 15.680 ( -0.178 1.224 1.079) 1.641 15.689 ( -0.078 0.669 0.381) 0.774 15.711 ( -2.014 0.399 0.996) 2.282 15.725 ( -1.019 -0.576 -0.200) 1.188 15.804 ( -17.124 -0.002 2.917) 17.371 15.808 ( -16.582 -0.443 2.403) 16.762 18.048 ( 5.805 0.238 0.267) 5.816 18.053 ( 5.716 -0.256 -0.176) 5.724 18.194 ( -1.463 0.104 1.507) 2.103 18.197 ( -1.434 -0.115 1.323) 1.954 18.882 ( 0.007 0.644 -0.689) 0.943 18.889 ( -0.187 0.009 -1.261) 1.274 18.978 ( -4.533 0.391 -1.307) 4.734 18.980 ( -4.722 0.134 -1.532) 4.966 20.155 ( 0.694 5.634 0.061) 5.677 20.158 ( 0.527 5.624 -0.218) 5.652 20.273 ( 0.454 -4.981 0.142) 5.004 20.275 ( 0.303 -4.966 -0.123) 4.977 20.879 ( -0.886 8.931 0.731) 9.005 20.899 ( -2.011 8.740 -1.105) 9.036 21.051 ( -1.305 -7.701 0.575) 7.832 21.064 ( -1.998 -7.329 -0.644) 7.623 21.783 ( -0.556 0.158 0.082) 0.584 21.784 ( -0.589 0.111 0.016) 0.600 21.787 ( -0.558 -0.118 0.054) 0.573 21.787 ( -0.567 -0.087 0.051) 0.576 25.142 ( -0.137 0.114 -0.136) 0.224 25.149 ( -0.021 -0.480 -0.748) 0.889 25.225 ( -3.669 -0.792 0.369) 3.772 25.238 ( -3.790 -1.933 -0.802) 4.330 25.883 ( 0.558 2.881 0.317) 2.952 25.889 ( 0.289 3.032 -0.311) 3.061 25.947 ( 0.518 -3.420 0.383) 3.481 25.957 ( 0.129 -3.542 -0.507) 3.581 27.337 ( 5.175 0.108 0.555) 5.206 27.342 ( 5.307 -0.313 0.146) 5.319 27.488 ( -3.191 0.693 1.174) 3.470 27.500 ( -3.347 -0.495 0.069) 3.385 28.130 ( 1.862 1.306 0.165) 2.281 28.130 ( 1.870 1.228 0.135) 2.242 28.226 ( -2.271 0.928 -0.703) 2.552 28.231 ( -2.523 0.479 -1.217) 2.842 28.747 ( 6.233 3.405 0.176) 7.104 28.785 ( 5.886 0.384 -3.327) 6.772 28.931 ( -0.746 -0.592 0.704) 1.184 28.967 ( -1.215 -3.448 -2.739) 4.568 29.780 ( 4.408 1.163 2.537) 5.217 29.820 ( 4.676 -2.690 -1.201) 5.527 29.997 ( -6.359 -0.921 4.125) 7.636 30.051 ( -6.769 -5.926 -0.936) 9.045 31.222 ( 10.715 0.162 0.897) 10.754 31.235 ( 10.859 -1.130 -0.299) 10.922 31.548 ( -5.070 -0.405 0.117) 5.088 31.557 ( -4.827 -1.296 -0.738) 5.052 34.772 ( 5.765 8.351 3.839) 10.850 34.862 ( 3.611 4.980 -4.278) 7.493 35.027 ( 1.368 -6.035 3.081) 6.913 35.129 ( -1.578 -10.576 -6.096) 12.309 36.726 ( -0.149 9.934 0.411) 9.944 36.756 ( -1.491 8.960 -2.600) 9.448 36.934 ( -2.095 -6.468 0.039) 6.798 36.953 ( -2.866 -6.482 -1.901) 7.338 38.557 ( -0.916 6.974 5.091) 8.683 38.636 ( -3.928 5.849 -1.962) 7.313 38.713 ( -3.943 -5.223 5.363) 8.461 38.799 ( -6.993 -7.084 -2.494) 10.262 40.726 ( 17.106 1.949 3.927) 17.659 40.773 ( 18.160 -2.444 -0.720) 18.337 41.095 ( 1.333 0.565 -0.052) 1.449 41.148 ( 1.221 -4.326 -5.049) 6.760 42.870 ( 1.433 1.197 4.183) 4.581 42.892 ( 0.821 -0.633 3.415) 3.569 42.929 ( -0.730 -0.746 1.364) 1.717 42.939 ( -1.139 -1.956 1.359) 2.640 43.604 ( -1.321 -0.216 1.488) 2.001 43.634 ( -2.195 0.589 -1.748) 2.867 43.654 ( -1.505 -4.104 1.695) 4.688 43.716 ( -4.073 -6.312 -3.314) 8.211 90.367 ( 1.108 0.956 0.186) 1.475 90.371 ( 1.144 0.596 -0.235) 1.311 90.423 ( -1.345 0.740 0.219) 1.551 90.432 ( -1.552 -0.018 -0.630) 1.675 94.205 ( 4.322 7.969 1.465) 9.184 94.235 ( 3.316 6.008 -1.378) 6.999 94.548 ( -3.426 -10.818 2.134) 11.546 94.554 ( -3.489 -10.677 1.572) 11.342 ======================= Grid point 122 (48/48) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -2.386 5.913 -1.807) 6.627 2.489 ( 2.386 5.913 -1.807) 6.627 2.583 ( -1.636 -3.202 0.446) 3.624 2.583 ( 1.636 -3.202 0.446) 3.624 3.040 ( -6.698 10.199 2.513) 12.458 3.040 ( 6.698 10.199 2.513) 12.458 3.195 ( -5.942 -4.081 4.310) 8.399 3.195 ( 5.942 -4.081 4.310) 8.399 3.334 ( -8.781 10.268 -1.521) 13.596 3.334 ( 8.781 10.268 -1.521) 13.596 3.422 ( -9.034 2.760 -0.941) 9.493 3.422 ( 9.034 2.760 -0.941) 9.493 3.693 ( -3.875 -3.555 0.126) 5.260 3.693 ( 3.875 -3.555 0.126) 5.260 3.732 ( -1.287 -6.292 0.431) 6.436 3.732 ( 1.287 -6.292 0.431) 6.436 3.969 ( -1.589 4.295 0.535) 4.610 3.969 ( 1.589 4.295 0.535) 4.610 4.109 ( -2.418 -7.404 -0.066) 7.789 4.109 ( 2.418 -7.404 -0.066) 7.789 4.342 ( -10.010 2.013 8.596) 13.347 4.342 ( 10.010 2.013 8.596) 13.347 4.416 ( -12.540 -4.521 8.886) 16.020 4.416 ( 12.540 -4.521 8.886) 16.020 4.578 ( -11.774 6.444 -10.600) 17.103 4.578 ( 11.774 6.444 -10.600) 17.103 4.703 ( -11.777 -5.082 -11.407) 17.166 4.703 ( 11.777 -5.082 -11.407) 17.166 5.206 ( -1.221 5.205 1.562) 5.570 5.206 ( 1.221 5.205 1.562) 5.570 5.334 ( -1.291 -6.470 1.720) 6.818 5.334 ( 1.291 -6.470 1.720) 6.818 5.473 ( -2.288 4.906 2.226) 5.853 5.473 ( 2.288 4.906 2.226) 5.853 5.545 ( -3.804 -1.321 -2.830) 4.922 5.545 ( 3.804 -1.321 -2.830) 4.922 5.726 ( -0.893 5.167 -0.511) 5.268 5.726 ( 0.893 5.167 -0.511) 5.268 5.813 ( -1.356 -2.979 -1.016) 3.427 5.813 ( 1.356 -2.979 -1.016) 3.427 5.980 ( -2.838 10.284 1.292) 10.747 5.980 ( 2.838 10.284 1.292) 10.747 6.064 ( -1.533 4.291 -1.005) 4.666 6.064 ( 1.533 4.291 -1.005) 4.666 6.175 ( -2.154 -1.503 2.079) 3.349 6.175 ( 2.154 -1.503 2.079) 3.349 6.196 ( -7.120 0.033 0.844) 7.169 6.196 ( 7.120 0.033 0.844) 7.169 6.242 ( -5.768 -0.419 0.800) 5.839 6.242 ( 5.768 -0.419 0.800) 5.839 6.340 ( -1.322 -6.157 1.150) 6.402 6.340 ( 1.322 -6.157 1.150) 6.402 6.629 ( -8.882 3.396 -3.309) 10.068 6.629 ( 8.882 3.396 -3.309) 10.068 6.706 ( -7.416 -4.501 -2.945) 9.161 6.706 ( 7.416 -4.501 -2.945) 9.161 7.056 ( -4.099 3.383 1.460) 5.511 7.056 ( 4.099 3.383 1.460) 5.511 7.107 ( -5.730 -0.847 -1.033) 5.884 7.107 ( 5.730 -0.847 -1.033) 5.884 7.308 ( -3.993 7.540 2.984) 9.039 7.308 ( 3.993 7.540 2.984) 9.039 7.421 ( -4.545 1.364 -2.302) 5.274 7.421 ( 4.545 1.364 -2.302) 5.274 7.505 ( -3.515 1.998 0.274) 4.052 7.505 ( 3.515 1.998 0.274) 4.052 7.660 ( -2.828 -7.351 -5.266) 9.474 7.660 ( 2.828 -7.351 -5.266) 9.474 8.014 ( -1.917 2.527 0.490) 3.209 8.014 ( 1.917 2.527 0.490) 3.209 8.203 ( -1.526 -13.596 0.604) 13.695 8.203 ( 1.526 -13.596 0.604) 13.695 10.442 ( -3.672 1.252 0.322) 3.894 10.442 ( 3.672 1.252 0.322) 3.894 10.466 ( -2.721 -1.096 0.023) 2.934 10.466 ( 2.721 -1.096 0.023) 2.934 11.195 ( -0.856 0.075 -0.581) 1.037 11.195 ( 0.856 0.075 -0.581) 1.037 11.200 ( -0.963 -0.448 -0.356) 1.120 11.200 ( 0.963 -0.448 -0.356) 1.120 11.368 ( -3.366 0.191 1.171) 3.569 11.368 ( 3.366 0.191 1.171) 3.569 11.371 ( -3.280 -0.168 0.951) 3.420 11.371 ( 3.280 -0.168 0.951) 3.420 12.406 ( -3.018 2.307 -0.763) 3.874 12.406 ( 3.018 2.307 -0.763) 3.874 12.457 ( -2.791 -2.621 -0.528) 3.865 12.457 ( 2.791 -2.621 -0.528) 3.865 14.106 ( -0.711 -0.054 -0.149) 0.729 14.106 ( 0.711 -0.054 -0.149) 0.729 14.108 ( -0.852 -0.213 -0.197) 0.900 14.108 ( 0.852 -0.213 -0.197) 0.900 15.475 ( -2.899 1.191 3.148) 4.442 15.475 ( 2.899 1.191 3.148) 4.442 15.503 ( -2.688 -1.666 3.014) 4.369 15.503 ( 2.688 -1.666 3.014) 4.369 15.692 ( -0.251 1.720 0.109) 1.742 15.692 ( 0.251 1.720 0.109) 1.742 15.717 ( -0.218 -0.846 0.106) 0.881 15.717 ( 0.218 -0.846 0.106) 0.881 18.143 ( -3.672 0.169 0.966) 3.801 18.143 ( 3.672 0.169 0.966) 3.801 18.147 ( -3.586 -0.181 0.795) 3.678 18.147 ( 3.586 -0.181 0.795) 3.678 18.907 ( -2.232 0.425 -1.236) 2.587 18.907 ( 2.232 0.425 -1.236) 2.587 18.909 ( -1.985 0.158 -1.399) 2.434 18.909 ( 1.985 0.158 -1.399) 2.434 20.163 ( -0.079 5.986 -0.044) 5.986 20.163 ( 0.079 5.986 -0.044) 5.986 20.278 ( -0.077 -5.251 -0.037) 5.251 20.278 ( 0.077 -5.251 -0.037) 5.251 20.874 ( -0.490 8.768 -0.060) 8.781 20.874 ( 0.490 8.768 -0.060) 8.781 21.041 ( -0.344 -7.651 -0.001) 7.659 21.041 ( 0.344 -7.651 -0.001) 7.659 21.777 ( -0.022 0.179 0.048) 0.187 21.777 ( 0.022 0.179 0.048) 0.187 21.781 ( -0.004 -0.141 0.039) 0.146 21.781 ( 0.004 -0.141 0.039) 0.146 25.155 ( -0.828 0.719 -0.477) 1.196 25.155 ( 0.828 0.719 -0.477) 1.196 25.183 ( -1.001 -2.105 -0.319) 2.352 25.183 ( 1.001 -2.105 -0.319) 2.352 25.890 ( -0.189 2.957 0.010) 2.963 25.890 ( 0.189 2.957 0.010) 2.963 25.955 ( -0.273 -3.417 -0.051) 3.429 25.955 ( 0.273 -3.417 -0.051) 3.429 27.423 ( -3.927 0.364 0.929) 4.052 27.423 ( 3.927 0.364 0.929) 4.052 27.431 ( -4.163 -0.447 0.164) 4.190 27.431 ( 4.163 -0.447 0.164) 4.190 28.160 ( -0.098 2.580 -0.404) 2.613 28.160 ( 0.098 2.580 -0.404) 2.613 28.193 ( -0.223 -0.610 -0.049) 0.652 28.193 ( 0.223 -0.610 -0.049) 0.652 28.834 ( -1.907 4.882 -0.946) 5.327 28.834 ( 1.907 4.882 -0.946) 5.327 28.933 ( -1.800 -4.816 -1.933) 5.493 28.933 ( 1.800 -4.816 -1.933) 5.493 29.874 ( -5.028 0.803 2.893) 5.856 29.874 ( 5.028 0.803 2.893) 5.856 29.929 ( -5.376 -4.616 -0.698) 7.120 29.929 ( 5.376 -4.616 -0.698) 7.120 31.404 ( -3.585 0.944 0.281) 3.718 31.404 ( 3.585 0.944 0.281) 3.718 31.437 ( -3.449 -2.416 -0.033) 4.211 31.437 ( 3.449 -2.416 -0.033) 4.211 34.863 ( -3.217 9.771 -0.530) 10.301 34.863 ( 3.217 9.771 -0.530) 10.301 35.079 ( -3.508 -11.574 -1.737) 12.218 35.079 ( 3.508 -11.574 -1.737) 12.218 36.733 ( -0.857 10.533 -0.904) 10.607 36.733 ( 0.857 10.533 -0.904) 10.607 36.918 ( -0.586 -7.792 -0.726) 7.848 36.918 ( 0.586 -7.792 -0.726) 7.848 38.572 ( -2.455 6.584 0.849) 7.078 38.572 ( 2.455 6.584 0.849) 7.078 38.703 ( -2.742 -6.229 1.123) 6.898 38.703 ( 2.742 -6.229 1.123) 6.898 40.969 ( -4.765 5.114 0.997) 7.061 40.969 ( 4.765 5.114 0.997) 7.061 41.093 ( -4.707 -7.174 -1.512) 8.713 41.093 ( 4.707 -7.174 -1.512) 8.713 42.894 ( -0.896 0.712 3.384) 3.572 42.894 ( 0.896 0.712 3.384) 3.572 42.922 ( -0.407 -2.063 1.743) 2.731 42.922 ( 0.407 -2.063 1.743) 2.731 43.600 ( -1.045 0.394 0.141) 1.125 43.600 ( 1.045 0.394 0.141) 1.125 43.656 ( -1.857 -5.279 -1.559) 5.809 43.656 ( 1.857 -5.279 -1.559) 5.809 90.387 ( -0.450 1.507 -0.061) 1.574 90.387 ( 0.450 1.507 -0.061) 1.574 90.406 ( -0.564 -0.363 -0.127) 0.683 90.406 ( 0.564 -0.363 -0.127) 0.683 94.264 ( -0.999 10.492 0.531) 10.553 94.264 ( 0.999 10.492 0.531) 10.553 94.511 ( -0.289 -14.062 1.068) 14.106 94.511 ( 0.289 -14.062 1.068) 14.106 =================== 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 3/37800 10.0 239.613 162.782 97.563 0.000 0.000 -0.000 3/37800 20.0 76.201 59.092 42.902 0.000 0.000 -0.000 3/37800 30.0 33.676 24.629 18.550 0.000 0.000 -0.000 3/37800 40.0 18.760 13.369 10.266 0.000 0.000 -0.000 3/37800 50.0 12.187 8.561 6.677 0.000 0.000 -0.000 3/37800 60.0 8.798 6.117 4.833 0.000 0.000 -0.000 3/37800 70.0 6.826 4.707 3.756 0.000 0.000 -0.000 3/37800 80.0 5.563 3.814 3.064 0.000 0.000 -0.000 3/37800 90.0 4.695 3.204 2.587 0.000 0.000 -0.000 3/37800 100.0 4.065 2.764 2.239 0.000 0.000 -0.000 3/37800 110.0 3.588 2.433 1.976 0.000 0.000 -0.000 3/37800 120.0 3.214 2.174 1.769 0.000 0.000 -0.000 3/37800 130.0 2.915 1.967 1.602 0.000 0.000 -0.000 3/37800 140.0 2.669 1.797 1.466 0.000 0.000 -0.000 3/37800 150.0 2.464 1.655 1.351 0.000 0.000 -0.000 3/37800 160.0 2.289 1.535 1.254 0.000 0.000 -0.000 3/37800 170.0 2.140 1.432 1.170 0.000 0.000 -0.000 3/37800 180.0 2.010 1.342 1.098 0.000 0.000 -0.000 3/37800 190.0 1.896 1.264 1.034 0.000 0.000 -0.000 3/37800 200.0 1.795 1.194 0.977 0.000 0.000 -0.000 3/37800 210.0 1.705 1.132 0.927 0.000 0.000 -0.000 3/37800 220.0 1.625 1.077 0.882 0.000 0.000 -0.000 3/37800 230.0 1.552 1.027 0.841 0.000 0.000 -0.000 3/37800 240.0 1.486 0.982 0.804 0.000 0.000 -0.000 3/37800 250.0 1.425 0.941 0.770 0.000 0.000 -0.000 3/37800 260.0 1.370 0.904 0.739 0.000 0.000 -0.000 3/37800 270.0 1.319 0.869 0.711 0.000 0.000 -0.000 3/37800 280.0 1.272 0.837 0.685 0.000 0.000 -0.000 3/37800 290.0 1.229 0.808 0.661 0.000 0.000 -0.000 3/37800 300.0 1.189 0.781 0.639 0.000 0.000 -0.000 3/37800 310.0 1.151 0.756 0.618 0.000 0.000 -0.000 3/37800 320.0 1.116 0.733 0.598 0.000 0.000 -0.000 3/37800 330.0 1.083 0.711 0.580 0.000 0.000 -0.000 3/37800 340.0 1.052 0.690 0.563 0.000 0.000 -0.000 3/37800 350.0 1.023 0.671 0.547 0.000 0.000 -0.000 3/37800 360.0 0.996 0.653 0.532 0.000 0.000 -0.000 3/37800 370.0 0.970 0.636 0.518 0.000 0.000 -0.000 3/37800 380.0 0.945 0.620 0.505 0.000 0.000 -0.000 3/37800 390.0 0.922 0.605 0.492 0.000 0.000 -0.000 3/37800 400.0 0.900 0.590 0.480 0.000 0.000 -0.000 3/37800 410.0 0.880 0.576 0.468 0.000 0.000 -0.000 3/37800 420.0 0.860 0.564 0.458 0.000 0.000 -0.000 3/37800 430.0 0.841 0.551 0.447 0.000 0.000 -0.000 3/37800 440.0 0.823 0.539 0.438 0.000 0.000 -0.000 3/37800 450.0 0.806 0.528 0.428 0.000 0.000 -0.000 3/37800 460.0 0.789 0.518 0.419 0.000 0.000 -0.000 3/37800 470.0 0.773 0.507 0.411 0.000 0.000 -0.000 3/37800 480.0 0.758 0.498 0.403 0.000 0.000 -0.000 3/37800 490.0 0.744 0.488 0.395 0.000 0.000 -0.000 3/37800 500.0 0.730 0.479 0.387 0.000 0.000 -0.000 3/37800 510.0 0.717 0.470 0.380 0.000 0.000 -0.000 3/37800 520.0 0.704 0.462 0.373 0.000 0.000 -0.000 3/37800 530.0 0.691 0.454 0.366 0.000 0.000 -0.000 3/37800 540.0 0.679 0.446 0.360 0.000 0.000 -0.000 3/37800 550.0 0.668 0.439 0.354 0.000 0.000 -0.000 3/37800 560.0 0.657 0.432 0.348 0.000 0.000 -0.000 3/37800 570.0 0.646 0.425 0.342 0.000 0.000 -0.000 3/37800 580.0 0.636 0.418 0.336 0.000 0.000 -0.000 3/37800 590.0 0.626 0.412 0.331 0.000 0.000 -0.000 3/37800 600.0 0.616 0.406 0.326 0.000 0.000 -0.000 3/37800 610.0 0.607 0.400 0.321 0.000 0.000 -0.000 3/37800 620.0 0.598 0.394 0.316 0.000 0.000 -0.000 3/37800 630.0 0.589 0.388 0.311 0.000 0.000 -0.000 3/37800 640.0 0.580 0.383 0.307 0.000 0.000 -0.000 3/37800 650.0 0.572 0.377 0.302 0.000 0.000 -0.000 3/37800 660.0 0.564 0.372 0.298 0.000 0.000 -0.000 3/37800 670.0 0.556 0.367 0.294 0.000 0.000 -0.000 3/37800 680.0 0.549 0.362 0.290 0.000 0.000 -0.000 3/37800 690.0 0.541 0.358 0.286 0.000 0.000 -0.000 3/37800 700.0 0.534 0.353 0.282 0.000 0.000 -0.000 3/37800 710.0 0.527 0.348 0.278 0.000 0.000 -0.000 3/37800 720.0 0.520 0.344 0.275 0.000 0.000 -0.000 3/37800 730.0 0.514 0.340 0.271 0.000 0.000 -0.000 3/37800 740.0 0.507 0.336 0.268 0.000 0.000 -0.000 3/37800 750.0 0.501 0.332 0.264 0.000 0.000 -0.000 3/37800 760.0 0.495 0.328 0.261 0.000 0.000 -0.000 3/37800 770.0 0.489 0.324 0.258 0.000 0.000 -0.000 3/37800 780.0 0.483 0.320 0.255 0.000 0.000 -0.000 3/37800 790.0 0.478 0.316 0.252 0.000 0.000 -0.000 3/37800 800.0 0.472 0.313 0.249 0.000 0.000 -0.000 3/37800 810.0 0.467 0.309 0.246 0.000 0.000 -0.000 3/37800 820.0 0.461 0.306 0.243 0.000 0.000 -0.000 3/37800 830.0 0.456 0.303 0.240 0.000 0.000 -0.000 3/37800 840.0 0.451 0.299 0.238 0.000 0.000 -0.000 3/37800 850.0 0.446 0.296 0.235 0.000 0.000 -0.000 3/37800 860.0 0.441 0.293 0.232 0.000 0.000 -0.000 3/37800 870.0 0.437 0.290 0.230 0.000 0.000 -0.000 3/37800 880.0 0.432 0.287 0.228 0.000 0.000 -0.000 3/37800 890.0 0.428 0.284 0.225 0.000 0.000 -0.000 3/37800 900.0 0.423 0.281 0.223 0.000 0.000 -0.000 3/37800 910.0 0.419 0.279 0.221 0.000 0.000 -0.000 3/37800 920.0 0.415 0.276 0.218 0.000 0.000 -0.000 3/37800 930.0 0.410 0.273 0.216 0.000 0.000 -0.000 3/37800 940.0 0.406 0.271 0.214 0.000 0.000 -0.000 3/37800 950.0 0.402 0.268 0.212 0.000 0.000 -0.000 3/37800 960.0 0.398 0.265 0.210 0.000 0.000 -0.000 3/37800 970.0 0.395 0.263 0.208 0.000 0.000 -0.000 3/37800 980.0 0.391 0.261 0.206 0.000 0.000 -0.000 3/37800 990.0 0.387 0.258 0.204 0.000 0.000 -0.000 3/37800 1000.0 0.384 0.256 0.202 0.000 0.000 -0.000 3/37800 Thermal conductivity related properties were written into "kappa-m675.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:43:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|