# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/e0951b01-51f3-4f00-a462-ad420d03111f/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for K3PO4 / Pnma (62) / materials id 557753](https://mdr.nims.go.jp/datasets/48f18af7-1a34-478a-9429-e47542d9d0e6) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 13:42:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 11.269898839999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.110941209999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.975430599999999Atomic positions (fractional): *1 K 0.64466959955115 0.49167756881444 0.30683647719645 39.098 2 K 0.35533040044885 0.99167756881444 0.69316352280355 39.098 3 K 0.85533040044885 0.50832243118556 0.80683647719645 39.098 *4 K 0.06858959184781 0.25000000000000 0.63512785082975 39.098 5 K 0.43141040815219 0.75000000000000 0.13512785082976 39.098 6 K 0.93141040815219 0.75000000000000 0.36487214917025 39.098 7 K 0.85533040044885 0.99167756881444 0.80683647719645 39.098 8 K 0.56858959184781 0.25000000000000 0.86487214917025 39.098 9 K 0.14466959955115 0.49167756881444 0.19316352280355 39.098 10 K 0.35533040044885 0.50832243118556 0.69316352280355 39.098 11 K 0.64466959955115 0.00832243118556 0.30683647719645 39.098 12 K 0.14466959955115 0.00832243118556 0.19316352280355 39.098 *13 P 0.38485883752949 0.25000000000000 0.28185402076521 30.974 14 P 0.88485883752949 0.25000000000000 0.21814597923478 30.974 15 P 0.61514116247051 0.75000000000000 0.71814597923478 30.974 16 P 0.11514116247051 0.75000000000000 0.78185402076522 30.974 *17 O 0.50802926192765 0.75000000000000 0.55144689809951 15.999 *18 O 0.38997531073953 0.09223955322826 0.13364751668432 15.999 19 O 0.11002468926047 0.90776044677174 0.63364751668432 15.999 20 O 0.88997531073953 0.40776044677174 0.36635248331568 15.999 21 O 0.11002468926047 0.59223955322826 0.63364751668432 15.999 *22 O 0.76790825872472 0.25000000000000 0.07818053347354 15.999 23 O 0.61002468926047 0.90776044677174 0.86635248331568 15.999 24 O 0.00802926192765 0.75000000000000 0.94855310190049 15.999 25 O 0.38997531073953 0.40776044677174 0.13364751668432 15.999 26 O 0.26790825872472 0.25000000000000 0.42181946652647 15.999 27 O 0.99197073807235 0.25000000000000 0.05144689809951 15.999 28 O 0.88997531073953 0.09223955322826 0.36635248331568 15.999 29 O 0.61002468926047 0.59223955322826 0.86635248331568 15.999 30 O 0.49197073807235 0.25000000000000 0.44855310190048 15.999 31 O 0.73209174127528 0.75000000000000 0.57818053347354 15.999 32 O 0.23209174127528 0.75000000000000 0.92181946652646 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 11.269898839999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.110941209999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.975430599999999Atomic positions (fractional): *1 K 0.64466959955115 0.49167756881444 0.30683647719645 39.098 > 1 2 K 0.35533040044885 0.99167756881444 0.69316352280355 39.098 > 2 3 K 0.85533040044885 0.50832243118556 0.80683647719645 39.098 > 3 *4 K 0.06858959184781 0.25000000000000 0.63512785082975 39.098 > 4 5 K 0.43141040815219 0.75000000000000 0.13512785082976 39.098 > 5 6 K 0.93141040815219 0.75000000000000 0.36487214917025 39.098 > 6 7 K 0.85533040044885 0.99167756881444 0.80683647719645 39.098 > 7 8 K 0.56858959184781 0.25000000000000 0.86487214917025 39.098 > 8 9 K 0.14466959955115 0.49167756881444 0.19316352280355 39.098 > 9 10 K 0.35533040044885 0.50832243118556 0.69316352280355 39.098 > 10 11 K 0.64466959955115 0.00832243118556 0.30683647719645 39.098 > 11 12 K 0.14466959955115 0.00832243118556 0.19316352280355 39.098 > 12 *13 P 0.38485883752949 0.25000000000000 0.28185402076521 30.974 > 13 14 P 0.88485883752949 0.25000000000000 0.21814597923478 30.974 > 14 15 P 0.61514116247051 0.75000000000000 0.71814597923478 30.974 > 15 16 P 0.11514116247051 0.75000000000000 0.78185402076522 30.974 > 16 *17 O 0.50802926192765 0.75000000000000 0.55144689809951 15.999 > 17 *18 O 0.38997531073953 0.09223955322826 0.13364751668432 15.999 > 18 19 O 0.11002468926047 0.90776044677174 0.63364751668432 15.999 > 19 20 O 0.88997531073953 0.40776044677174 0.36635248331568 15.999 > 20 21 O 0.11002468926047 0.59223955322826 0.63364751668432 15.999 > 21 *22 O 0.76790825872472 0.25000000000000 0.07818053347354 15.999 > 22 23 O 0.61002468926047 0.90776044677174 0.86635248331568 15.999 > 23 24 O 0.00802926192765 0.75000000000000 0.94855310190049 15.999 > 24 25 O 0.38997531073953 0.40776044677174 0.13364751668432 15.999 > 25 26 O 0.26790825872472 0.25000000000000 0.42181946652647 15.999 > 26 27 O 0.99197073807235 0.25000000000000 0.05144689809951 15.999 > 27 28 O 0.88997531073953 0.09223955322826 0.36635248331568 15.999 > 28 29 O 0.61002468926047 0.59223955322826 0.86635248331568 15.999 > 29 30 O 0.49197073807235 0.25000000000000 0.44855310190048 15.999 > 30 31 O 0.73209174127528 0.75000000000000 0.57818053347354 15.999 > 31 32 O 0.23209174127528 0.75000000000000 0.92181946652646 15.999 > 32-------------------------------- super cell --------------------------------Lattice vectors: a 11.269898839999998 0.000000000000000 0.000000000000000 b 0.000000000000000 16.221882419999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.950861199999999Atomic positions (fractional): *1 K 0.64466959955115 0.24583878440722 0.15341823859822 39.098 > 1 2 K 0.64466959955115 0.74583878440722 0.15341823859822 39.098 > 1 3 K 0.64466959955115 0.24583878440722 0.65341823859822 39.098 > 1 4 K 0.64466959955115 0.74583878440722 0.65341823859822 39.098 > 1 5 K 0.35533040044885 0.49583878440722 0.34658176140178 39.098 > 2 6 K 0.35533040044885 0.99583878440722 0.34658176140178 39.098 > 2 7 K 0.35533040044885 0.49583878440722 0.84658176140178 39.098 > 2 8 K 0.35533040044885 0.99583878440722 0.84658176140178 39.098 > 2 9 K 0.85533040044885 0.25416121559278 0.40341823859822 39.098 > 3 10 K 0.85533040044885 0.75416121559278 0.40341823859822 39.098 > 3 11 K 0.85533040044885 0.25416121559278 0.90341823859822 39.098 > 3 12 K 0.85533040044885 0.75416121559278 0.90341823859822 39.098 > 3 *13 K 0.06858959184781 0.12500000000000 0.31756392541488 39.098 > 4 14 K 0.06858959184781 0.62500000000000 0.31756392541488 39.098 > 4 15 K 0.06858959184781 0.12500000000000 0.81756392541488 39.098 > 4 16 K 0.06858959184781 0.62500000000000 0.81756392541488 39.098 > 4 17 K 0.43141040815219 0.37500000000000 0.06756392541488 39.098 > 5 18 K 0.43141040815219 0.87500000000000 0.06756392541488 39.098 > 5 19 K 0.43141040815219 0.37500000000000 0.56756392541488 39.098 > 5 20 K 0.43141040815219 0.87500000000000 0.56756392541488 39.098 > 5 21 K 0.93141040815219 0.37500000000000 0.18243607458512 39.098 > 6 22 K 0.93141040815219 0.87500000000000 0.18243607458512 39.098 > 6 23 K 0.93141040815219 0.37500000000000 0.68243607458512 39.098 > 6 24 K 0.93141040815219 0.87500000000000 0.68243607458512 39.098 > 6 25 K 0.85533040044885 0.49583878440722 0.40341823859822 39.098 > 7 26 K 0.85533040044885 0.99583878440722 0.40341823859822 39.098 > 7 27 K 0.85533040044885 0.49583878440722 0.90341823859822 39.098 > 7 28 K 0.85533040044885 0.99583878440722 0.90341823859822 39.098 > 7 29 K 0.56858959184781 0.12500000000000 0.43243607458512 39.098 > 8 30 K 0.56858959184781 0.62500000000000 0.43243607458512 39.098 > 8 31 K 0.56858959184781 0.12500000000000 0.93243607458512 39.098 > 8 32 K 0.56858959184781 0.62500000000000 0.93243607458512 39.098 > 8 33 K 0.14466959955115 0.24583878440722 0.09658176140178 39.098 > 9 34 K 0.14466959955115 0.74583878440722 0.09658176140178 39.098 > 9 35 K 0.14466959955115 0.24583878440722 0.59658176140178 39.098 > 9 36 K 0.14466959955115 0.74583878440722 0.59658176140178 39.098 > 9 37 K 0.35533040044885 0.25416121559278 0.34658176140178 39.098 > 10 38 K 0.35533040044885 0.75416121559278 0.34658176140178 39.098 > 10 39 K 0.35533040044885 0.25416121559278 0.84658176140178 39.098 > 10 40 K 0.35533040044885 0.75416121559278 0.84658176140178 39.098 > 10 41 K 0.64466959955115 0.00416121559278 0.15341823859822 39.098 > 11 42 K 0.64466959955115 0.50416121559278 0.15341823859822 39.098 > 11 43 K 0.64466959955115 0.00416121559278 0.65341823859822 39.098 > 11 44 K 0.64466959955115 0.50416121559278 0.65341823859822 39.098 > 11 45 K 0.14466959955115 0.00416121559278 0.09658176140178 39.098 > 12 46 K 0.14466959955115 0.50416121559278 0.09658176140178 39.098 > 12 47 K 0.14466959955115 0.00416121559278 0.59658176140178 39.098 > 12 48 K 0.14466959955115 0.50416121559278 0.59658176140178 39.098 > 12 *49 P 0.38485883752949 0.12500000000000 0.14092701038261 30.974 > 13 50 P 0.38485883752949 0.62500000000000 0.14092701038261 30.974 > 13 51 P 0.38485883752949 0.12500000000000 0.64092701038261 30.974 > 13 52 P 0.38485883752949 0.62500000000000 0.64092701038261 30.974 > 13 53 P 0.88485883752949 0.12500000000000 0.10907298961739 30.974 > 14 54 P 0.88485883752949 0.62500000000000 0.10907298961739 30.974 > 14 55 P 0.88485883752949 0.12500000000000 0.60907298961739 30.974 > 14 56 P 0.88485883752949 0.62500000000000 0.60907298961739 30.974 > 14 57 P 0.61514116247051 0.37500000000000 0.35907298961739 30.974 > 15 58 P 0.61514116247051 0.87500000000000 0.35907298961739 30.974 > 15 59 P 0.61514116247051 0.37500000000000 0.85907298961739 30.974 > 15 60 P 0.61514116247051 0.87500000000000 0.85907298961739 30.974 > 15 61 P 0.11514116247051 0.37500000000000 0.39092701038261 30.974 > 16 62 P 0.11514116247051 0.87500000000000 0.39092701038261 30.974 > 16 63 P 0.11514116247051 0.37500000000000 0.89092701038261 30.974 > 16 64 P 0.11514116247051 0.87500000000000 0.89092701038261 30.974 > 16 *65 O 0.50802926192765 0.37500000000000 0.27572344904976 15.999 > 17 66 O 0.50802926192765 0.87500000000000 0.27572344904976 15.999 > 17 67 O 0.50802926192765 0.37500000000000 0.77572344904976 15.999 > 17 68 O 0.50802926192765 0.87500000000000 0.77572344904976 15.999 > 17 *69 O 0.38997531073953 0.04611977661413 0.06682375834216 15.999 > 18 70 O 0.38997531073953 0.54611977661413 0.06682375834216 15.999 > 18 71 O 0.38997531073953 0.04611977661413 0.56682375834216 15.999 > 18 72 O 0.38997531073953 0.54611977661413 0.56682375834216 15.999 > 18 73 O 0.11002468926047 0.45388022338587 0.31682375834216 15.999 > 19 74 O 0.11002468926047 0.95388022338587 0.31682375834216 15.999 > 19 75 O 0.11002468926047 0.45388022338587 0.81682375834216 15.999 > 19 76 O 0.11002468926047 0.95388022338587 0.81682375834216 15.999 > 19 77 O 0.88997531073953 0.20388022338587 0.18317624165784 15.999 > 20 78 O 0.88997531073953 0.70388022338587 0.18317624165784 15.999 > 20 79 O 0.88997531073953 0.20388022338587 0.68317624165784 15.999 > 20 80 O 0.88997531073953 0.70388022338587 0.68317624165784 15.999 > 20 81 O 0.11002468926047 0.29611977661413 0.31682375834216 15.999 > 21 82 O 0.11002468926047 0.79611977661413 0.31682375834216 15.999 > 21 83 O 0.11002468926047 0.29611977661413 0.81682375834216 15.999 > 21 84 O 0.11002468926047 0.79611977661413 0.81682375834216 15.999 > 21 *85 O 0.76790825872472 0.12500000000000 0.03909026673677 15.999 > 22 86 O 0.76790825872472 0.62500000000000 0.03909026673677 15.999 > 22 87 O 0.76790825872472 0.12500000000000 0.53909026673677 15.999 > 22 88 O 0.76790825872472 0.62500000000000 0.53909026673677 15.999 > 22 89 O 0.61002468926047 0.45388022338587 0.43317624165784 15.999 > 23 90 O 0.61002468926047 0.95388022338587 0.43317624165784 15.999 > 23 91 O 0.61002468926047 0.45388022338587 0.93317624165784 15.999 > 23 92 O 0.61002468926047 0.95388022338587 0.93317624165784 15.999 > 23 93 O 0.00802926192765 0.37500000000000 0.47427655095024 15.999 > 24 94 O 0.00802926192765 0.87500000000000 0.47427655095024 15.999 > 24 95 O 0.00802926192765 0.37500000000000 0.97427655095024 15.999 > 24 96 O 0.00802926192765 0.87500000000000 0.97427655095024 15.999 > 24 97 O 0.38997531073953 0.20388022338587 0.06682375834216 15.999 > 25 98 O 0.38997531073953 0.70388022338587 0.06682375834216 15.999 > 25 99 O 0.38997531073953 0.20388022338587 0.56682375834216 15.999 > 25 100 O 0.38997531073953 0.70388022338587 0.56682375834216 15.999 > 25 101 O 0.26790825872472 0.12500000000000 0.21090973326323 15.999 > 26 102 O 0.26790825872472 0.62500000000000 0.21090973326323 15.999 > 26 103 O 0.26790825872472 0.12500000000000 0.71090973326323 15.999 > 26 104 O 0.26790825872472 0.62500000000000 0.71090973326323 15.999 > 26 105 O 0.99197073807235 0.12500000000000 0.02572344904976 15.999 > 27 106 O 0.99197073807235 0.62500000000000 0.02572344904976 15.999 > 27 107 O 0.99197073807235 0.12500000000000 0.52572344904976 15.999 > 27 108 O 0.99197073807235 0.62500000000000 0.52572344904976 15.999 > 27 109 O 0.88997531073953 0.04611977661413 0.18317624165784 15.999 > 28 110 O 0.88997531073953 0.54611977661413 0.18317624165784 15.999 > 28 111 O 0.88997531073953 0.04611977661413 0.68317624165784 15.999 > 28 112 O 0.88997531073953 0.54611977661413 0.68317624165784 15.999 > 28 113 O 0.61002468926047 0.29611977661413 0.43317624165784 15.999 > 29 114 O 0.61002468926047 0.79611977661413 0.43317624165784 15.999 > 29 115 O 0.61002468926047 0.29611977661413 0.93317624165784 15.999 > 29 116 O 0.61002468926047 0.79611977661413 0.93317624165784 15.999 > 29 117 O 0.49197073807235 0.12500000000000 0.22427655095024 15.999 > 30 118 O 0.49197073807235 0.62500000000000 0.22427655095024 15.999 > 30 119 O 0.49197073807235 0.12500000000000 0.72427655095024 15.999 > 30 120 O 0.49197073807235 0.62500000000000 0.72427655095024 15.999 > 30 121 O 0.73209174127528 0.37500000000000 0.28909026673677 15.999 > 31 122 O 0.73209174127528 0.87500000000000 0.28909026673677 15.999 > 31 123 O 0.73209174127528 0.37500000000000 0.78909026673677 15.999 > 31 124 O 0.73209174127528 0.87500000000000 0.78909026673677 15.999 > 31 125 O 0.23209174127528 0.37500000000000 0.46090973326323 15.999 > 32 126 O 0.23209174127528 0.87500000000000 0.46090973326323 15.999 > 32 127 O 0.23209174127528 0.37500000000000 0.96090973326323 15.999 > 32 128 O 0.23209174127528 0.87500000000000 0.96090973326323 15.999 > 32----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.4373274 0.0000000 0.0000000 0.0000000 2.4279715 0.0000000 0.0000000 0.0000000 2.4268335-------------------------- Born effective charges -------------------------- 1 K 1.2029390 -0.0178480 -0.0325328 -0.0295375 1.1434913 0.0956493 -0.0248994 0.1186346 1.1416315 2 K 1.2029390 0.0178480 -0.0325328 0.0295375 1.1434913 -0.0956493 -0.0248994 -0.1186346 1.1416315 3 K 1.2029390 -0.0178480 0.0325328 -0.0295375 1.1434913 -0.0956493 0.0248994 -0.1186346 1.1416315 4 K 1.1859989 0.0000000 -0.1117602 0.0000000 1.2432109 -0.0000000 -0.0530120 -0.0000000 1.2241754 5 K 1.1859989 0.0000000 0.1117602 0.0000000 1.2432109 -0.0000000 0.0530120 -0.0000000 1.2241754 6 K 1.1859989 0.0000000 -0.1117602 0.0000000 1.2432109 -0.0000000 -0.0530120 -0.0000000 1.2241754 7 K 1.2029390 0.0178480 0.0325328 0.0295375 1.1434913 0.0956493 0.0248994 0.1186346 1.1416315 8 K 1.1859989 0.0000000 0.1117602 0.0000000 1.2432109 -0.0000000 0.0530120 -0.0000000 1.2241754 9 K 1.2029390 -0.0178480 0.0325328 -0.0295375 1.1434913 -0.0956493 0.0248994 -0.1186346 1.1416315 10 K 1.2029390 -0.0178480 -0.0325328 -0.0295375 1.1434913 0.0956493 -0.0248994 0.1186346 1.1416315 11 K 1.2029390 0.0178480 -0.0325328 0.0295375 1.1434913 -0.0956493 -0.0248994 -0.1186346 1.1416315 12 K 1.2029390 0.0178480 0.0325328 0.0295375 1.1434913 0.0956493 0.0248994 0.1186346 1.1416315 13 P 2.8752136 0.0000000 -0.0567884 0.0000000 2.9168571 -0.0000000 -0.0406202 -0.0000000 2.8683278 14 P 2.8752136 0.0000000 0.0567884 0.0000000 2.9168571 -0.0000000 0.0406202 -0.0000000 2.8683278 15 P 2.8752136 0.0000000 -0.0567884 0.0000000 2.9168571 -0.0000000 -0.0406202 -0.0000000 2.8683278 16 P 2.8752136 0.0000000 0.0567884 0.0000000 2.9168571 -0.0000000 0.0406202 -0.0000000 2.8683278 17 O -1.8610709 0.0000000 -0.5335051 0.0000000 -1.2634472 -0.0000000 -0.4819878 -0.0000000 -1.7319221 18 O -1.2445655 0.0084607 0.0631234 0.0048026 -1.9492200 -0.5374450 0.0591715 -0.5408336 -1.5665264 19 O -1.2445655 0.0084607 -0.0631234 0.0048026 -1.9492200 0.5374450 -0.0591715 0.5408336 -1.5665264 20 O -1.2445655 -0.0084607 -0.0631234 -0.0048026 -1.9492200 -0.5374450 -0.0591715 -0.5408336 -1.5665264 21 O -1.2445655 -0.0084607 -0.0631234 -0.0048026 -1.9492200 -0.5374450 -0.0591715 -0.5408336 -1.5665264 22 O -2.1168886 0.0000000 -0.4909836 0.0000000 -1.2851632 -0.0000000 -0.4971813 -0.0000000 -1.5107913 23 O -1.2445655 0.0084607 0.0631234 0.0048026 -1.9492200 -0.5374450 0.0591715 -0.5408336 -1.5665264 24 O -1.8610709 0.0000000 0.5335051 0.0000000 -1.2634472 -0.0000000 0.4819878 -0.0000000 -1.7319221 25 O -1.2445655 -0.0084607 0.0631234 -0.0048026 -1.9492200 0.5374450 0.0591715 0.5408336 -1.5665264 26 O -2.1168886 0.0000000 0.4909836 0.0000000 -1.2851632 -0.0000000 0.4971813 -0.0000000 -1.5107913 27 O -1.8610709 0.0000000 0.5335051 0.0000000 -1.2634472 -0.0000000 0.4819878 -0.0000000 -1.7319221 28 O -1.2445655 0.0084607 -0.0631234 0.0048026 -1.9492200 0.5374450 -0.0591715 0.5408336 -1.5665264 29 O -1.2445655 -0.0084607 0.0631234 -0.0048026 -1.9492200 0.5374450 0.0591715 0.5408336 -1.5665264 30 O -1.8610709 0.0000000 -0.5335051 0.0000000 -1.2634472 -0.0000000 -0.4819878 -0.0000000 -1.7319221 31 O -2.1168886 0.0000000 0.4909836 0.0000000 -1.2851632 -0.0000000 0.4971813 -0.0000000 -1.5107913 32 O -2.1168886 0.0000000 -0.4909836 0.0000000 -1.2851632 -0.0000000 -0.4971813 -0.0000000 -1.5107913----------------------------------------------------------------------------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: 384/384Permutation basis: 18816/18816Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2456Number of blocks in projector: 2456Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 576Use 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) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 564 eigenvectors found.(1) Complementary block size: 12(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 448Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 448Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 328Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 328Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 328Use standard eigh solver.Tree of FC basis block matrices:- (2456, 2418), data: False|-- (328, 322), data: True|-- (328, 322), data: True|-- (328, 322), data: True|-- (448, 444), data: True|-- (448, 444), data: True|-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 480 - Time: 0.838Solver_block: 200 / 480 - Time: 0.762Solver_block: 300 / 480 - Time: 0.769Solver_block: 400 / 480 - Time: 0.755Solver_block: 480 / 480 - Time: 0.638Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.853--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zx) 0.00000000 (zx) Permutation basis: 384/384Permutation basis: 18816/18816Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2456Number of blocks in projector: 2456Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 576Use 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) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 564 eigenvectors found.(1) Complementary block size: 12(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 448Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 448Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 328Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 328Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 328Use standard eigh solver.Tree of FC basis block matrices:- (2456, 2418), data: False|-- (328, 322), data: True|-- (328, 322), data: True|-- (328, 322), data: True|-- (448, 444), data: True|-- (448, 444), data: True|-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zx) 0.00000000 (zx) 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 13:43:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 13:43:17]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 11.269898839999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.110941209999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.975430599999999Atomic positions (fractional): 1 K 0.64466959955115 0.49167756881444 0.30683647719645 39.098 2 K 0.35533040044885 0.99167756881444 0.69316352280355 39.098 3 K 0.85533040044885 0.50832243118556 0.80683647719645 39.098 4 K 0.06858959184781 0.25000000000000 0.63512785082975 39.098 5 K 0.43141040815219 0.75000000000000 0.13512785082976 39.098 6 K 0.93141040815219 0.75000000000000 0.36487214917025 39.098 7 K 0.85533040044885 0.99167756881444 0.80683647719645 39.098 8 K 0.56858959184781 0.25000000000000 0.86487214917025 39.098 9 K 0.14466959955115 0.49167756881444 0.19316352280355 39.098 10 K 0.35533040044885 0.50832243118556 0.69316352280355 39.098 11 K 0.64466959955115 0.00832243118556 0.30683647719645 39.098 12 K 0.14466959955115 0.00832243118556 0.19316352280355 39.098 13 P 0.38485883752949 0.25000000000000 0.28185402076521 30.974 14 P 0.88485883752949 0.25000000000000 0.21814597923478 30.974 15 P 0.61514116247051 0.75000000000000 0.71814597923478 30.974 16 P 0.11514116247051 0.75000000000000 0.78185402076522 30.974 17 O 0.50802926192765 0.75000000000000 0.55144689809951 15.999 18 O 0.38997531073953 0.09223955322826 0.13364751668432 15.999 19 O 0.11002468926047 0.90776044677174 0.63364751668432 15.999 20 O 0.88997531073953 0.40776044677174 0.36635248331568 15.999 21 O 0.11002468926047 0.59223955322826 0.63364751668432 15.999 22 O 0.76790825872472 0.25000000000000 0.07818053347354 15.999 23 O 0.61002468926047 0.90776044677174 0.86635248331568 15.999 24 O 0.00802926192765 0.75000000000000 0.94855310190049 15.999 25 O 0.38997531073953 0.40776044677174 0.13364751668432 15.999 26 O 0.26790825872472 0.25000000000000 0.42181946652647 15.999 27 O 0.99197073807235 0.25000000000000 0.05144689809951 15.999 28 O 0.88997531073953 0.09223955322826 0.36635248331568 15.999 29 O 0.61002468926047 0.59223955322826 0.86635248331568 15.999 30 O 0.49197073807235 0.25000000000000 0.44855310190048 15.999 31 O 0.73209174127528 0.75000000000000 0.57818053347354 15.999 32 O 0.23209174127528 0.75000000000000 0.92181946652646 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.269898839999998 0.000000000000000 0.000000000000000 b 0.000000000000000 16.221882419999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.950861199999999Atomic positions (fractional): 1 K 0.64466959955115 0.24583878440722 0.15341823859822 39.098 > 1 2 K 0.64466959955115 0.74583878440722 0.15341823859822 39.098 > 1 3 K 0.64466959955115 0.24583878440722 0.65341823859822 39.098 > 1 4 K 0.64466959955115 0.74583878440722 0.65341823859822 39.098 > 1 5 K 0.35533040044885 0.49583878440722 0.34658176140178 39.098 > 5 6 K 0.35533040044885 0.99583878440722 0.34658176140178 39.098 > 5 7 K 0.35533040044885 0.49583878440722 0.84658176140178 39.098 > 5 8 K 0.35533040044885 0.99583878440722 0.84658176140178 39.098 > 5 9 K 0.85533040044885 0.25416121559278 0.40341823859822 39.098 > 9 10 K 0.85533040044885 0.75416121559278 0.40341823859822 39.098 > 9 11 K 0.85533040044885 0.25416121559278 0.90341823859822 39.098 > 9 12 K 0.85533040044885 0.75416121559278 0.90341823859822 39.098 > 9 13 K 0.06858959184781 0.12500000000000 0.31756392541488 39.098 > 13 14 K 0.06858959184781 0.62500000000000 0.31756392541488 39.098 > 13 15 K 0.06858959184781 0.12500000000000 0.81756392541488 39.098 > 13 16 K 0.06858959184781 0.62500000000000 0.81756392541488 39.098 > 13 17 K 0.43141040815219 0.37500000000000 0.06756392541488 39.098 > 17 18 K 0.43141040815219 0.87500000000000 0.06756392541488 39.098 > 17 19 K 0.43141040815219 0.37500000000000 0.56756392541488 39.098 > 17 20 K 0.43141040815219 0.87500000000000 0.56756392541488 39.098 > 17 21 K 0.93141040815219 0.37500000000000 0.18243607458512 39.098 > 21 22 K 0.93141040815219 0.87500000000000 0.18243607458512 39.098 > 21 23 K 0.93141040815219 0.37500000000000 0.68243607458512 39.098 > 21 24 K 0.93141040815219 0.87500000000000 0.68243607458512 39.098 > 21 25 K 0.85533040044885 0.49583878440722 0.40341823859822 39.098 > 25 26 K 0.85533040044885 0.99583878440722 0.40341823859822 39.098 > 25 27 K 0.85533040044885 0.49583878440722 0.90341823859822 39.098 > 25 28 K 0.85533040044885 0.99583878440722 0.90341823859822 39.098 > 25 29 K 0.56858959184781 0.12500000000000 0.43243607458512 39.098 > 29 30 K 0.56858959184781 0.62500000000000 0.43243607458512 39.098 > 29 31 K 0.56858959184781 0.12500000000000 0.93243607458512 39.098 > 29 32 K 0.56858959184781 0.62500000000000 0.93243607458512 39.098 > 29 33 K 0.14466959955115 0.24583878440722 0.09658176140178 39.098 > 33 34 K 0.14466959955115 0.74583878440722 0.09658176140178 39.098 > 33 35 K 0.14466959955115 0.24583878440722 0.59658176140178 39.098 > 33 36 K 0.14466959955115 0.74583878440722 0.59658176140178 39.098 > 33 37 K 0.35533040044885 0.25416121559278 0.34658176140178 39.098 > 37 38 K 0.35533040044885 0.75416121559278 0.34658176140178 39.098 > 37 39 K 0.35533040044885 0.25416121559278 0.84658176140178 39.098 > 37 40 K 0.35533040044885 0.75416121559278 0.84658176140178 39.098 > 37 41 K 0.64466959955115 0.00416121559278 0.15341823859822 39.098 > 41 42 K 0.64466959955115 0.50416121559278 0.15341823859822 39.098 > 41 43 K 0.64466959955115 0.00416121559278 0.65341823859822 39.098 > 41 44 K 0.64466959955115 0.50416121559278 0.65341823859822 39.098 > 41 45 K 0.14466959955115 0.00416121559278 0.09658176140178 39.098 > 45 46 K 0.14466959955115 0.50416121559278 0.09658176140178 39.098 > 45 47 K 0.14466959955115 0.00416121559278 0.59658176140178 39.098 > 45 48 K 0.14466959955115 0.50416121559278 0.59658176140178 39.098 > 45 49 P 0.38485883752949 0.12500000000000 0.14092701038261 30.974 > 49 50 P 0.38485883752949 0.62500000000000 0.14092701038261 30.974 > 49 51 P 0.38485883752949 0.12500000000000 0.64092701038261 30.974 > 49 52 P 0.38485883752949 0.62500000000000 0.64092701038261 30.974 > 49 53 P 0.88485883752949 0.12500000000000 0.10907298961739 30.974 > 53 54 P 0.88485883752949 0.62500000000000 0.10907298961739 30.974 > 53 55 P 0.88485883752949 0.12500000000000 0.60907298961739 30.974 > 53 56 P 0.88485883752949 0.62500000000000 0.60907298961739 30.974 > 53 57 P 0.61514116247051 0.37500000000000 0.35907298961739 30.974 > 57 58 P 0.61514116247051 0.87500000000000 0.35907298961739 30.974 > 57 59 P 0.61514116247051 0.37500000000000 0.85907298961739 30.974 > 57 60 P 0.61514116247051 0.87500000000000 0.85907298961739 30.974 > 57 61 P 0.11514116247051 0.37500000000000 0.39092701038261 30.974 > 61 62 P 0.11514116247051 0.87500000000000 0.39092701038261 30.974 > 61 63 P 0.11514116247051 0.37500000000000 0.89092701038261 30.974 > 61 64 P 0.11514116247051 0.87500000000000 0.89092701038261 30.974 > 61 65 O 0.50802926192765 0.37500000000000 0.27572344904976 15.999 > 65 66 O 0.50802926192765 0.87500000000000 0.27572344904976 15.999 > 65 67 O 0.50802926192765 0.37500000000000 0.77572344904976 15.999 > 65 68 O 0.50802926192765 0.87500000000000 0.77572344904976 15.999 > 65 69 O 0.38997531073953 0.04611977661413 0.06682375834216 15.999 > 69 70 O 0.38997531073953 0.54611977661413 0.06682375834216 15.999 > 69 71 O 0.38997531073953 0.04611977661413 0.56682375834216 15.999 > 69 72 O 0.38997531073953 0.54611977661413 0.56682375834216 15.999 > 69 73 O 0.11002468926047 0.45388022338587 0.31682375834216 15.999 > 73 74 O 0.11002468926047 0.95388022338587 0.31682375834216 15.999 > 73 75 O 0.11002468926047 0.45388022338587 0.81682375834216 15.999 > 73 76 O 0.11002468926047 0.95388022338587 0.81682375834216 15.999 > 73 77 O 0.88997531073953 0.20388022338587 0.18317624165784 15.999 > 77 78 O 0.88997531073953 0.70388022338587 0.18317624165784 15.999 > 77 79 O 0.88997531073953 0.20388022338587 0.68317624165784 15.999 > 77 80 O 0.88997531073953 0.70388022338587 0.68317624165784 15.999 > 77 81 O 0.11002468926047 0.29611977661413 0.31682375834216 15.999 > 81 82 O 0.11002468926047 0.79611977661413 0.31682375834216 15.999 > 81 83 O 0.11002468926047 0.29611977661413 0.81682375834216 15.999 > 81 84 O 0.11002468926047 0.79611977661413 0.81682375834216 15.999 > 81 85 O 0.76790825872472 0.12500000000000 0.03909026673677 15.999 > 85 86 O 0.76790825872472 0.62500000000000 0.03909026673677 15.999 > 85 87 O 0.76790825872472 0.12500000000000 0.53909026673677 15.999 > 85 88 O 0.76790825872472 0.62500000000000 0.53909026673677 15.999 > 85 89 O 0.61002468926047 0.45388022338587 0.43317624165784 15.999 > 89 90 O 0.61002468926047 0.95388022338587 0.43317624165784 15.999 > 89 91 O 0.61002468926047 0.45388022338587 0.93317624165784 15.999 > 89 92 O 0.61002468926047 0.95388022338587 0.93317624165784 15.999 > 89 93 O 0.00802926192765 0.37500000000000 0.47427655095024 15.999 > 93 94 O 0.00802926192765 0.87500000000000 0.47427655095024 15.999 > 93 95 O 0.00802926192765 0.37500000000000 0.97427655095024 15.999 > 93 96 O 0.00802926192765 0.87500000000000 0.97427655095024 15.999 > 93 97 O 0.38997531073953 0.20388022338587 0.06682375834216 15.999 > 97 98 O 0.38997531073953 0.70388022338587 0.06682375834216 15.999 > 97 99 O 0.38997531073953 0.20388022338587 0.56682375834216 15.999 > 97 100 O 0.38997531073953 0.70388022338587 0.56682375834216 15.999 > 97 101 O 0.26790825872472 0.12500000000000 0.21090973326323 15.999 > 101 102 O 0.26790825872472 0.62500000000000 0.21090973326323 15.999 > 101 103 O 0.26790825872472 0.12500000000000 0.71090973326323 15.999 > 101 104 O 0.26790825872472 0.62500000000000 0.71090973326323 15.999 > 101 105 O 0.99197073807235 0.12500000000000 0.02572344904976 15.999 > 105 106 O 0.99197073807235 0.62500000000000 0.02572344904976 15.999 > 105 107 O 0.99197073807235 0.12500000000000 0.52572344904976 15.999 > 105 108 O 0.99197073807235 0.62500000000000 0.52572344904976 15.999 > 105 109 O 0.88997531073953 0.04611977661413 0.18317624165784 15.999 > 109 110 O 0.88997531073953 0.54611977661413 0.18317624165784 15.999 > 109 111 O 0.88997531073953 0.04611977661413 0.68317624165784 15.999 > 109 112 O 0.88997531073953 0.54611977661413 0.68317624165784 15.999 > 109 113 O 0.61002468926047 0.29611977661413 0.43317624165784 15.999 > 113 114 O 0.61002468926047 0.79611977661413 0.43317624165784 15.999 > 113 115 O 0.61002468926047 0.29611977661413 0.93317624165784 15.999 > 113 116 O 0.61002468926047 0.79611977661413 0.93317624165784 15.999 > 113 117 O 0.49197073807235 0.12500000000000 0.22427655095024 15.999 > 117 118 O 0.49197073807235 0.62500000000000 0.22427655095024 15.999 > 117 119 O 0.49197073807235 0.12500000000000 0.72427655095024 15.999 > 117 120 O 0.49197073807235 0.62500000000000 0.72427655095024 15.999 > 117 121 O 0.73209174127528 0.37500000000000 0.28909026673677 15.999 > 121 122 O 0.73209174127528 0.87500000000000 0.28909026673677 15.999 > 121 123 O 0.73209174127528 0.37500000000000 0.78909026673677 15.999 > 121 124 O 0.73209174127528 0.87500000000000 0.78909026673677 15.999 > 121 125 O 0.23209174127528 0.37500000000000 0.46090973326323 15.999 > 125 126 O 0.23209174127528 0.87500000000000 0.46090973326323 15.999 > 125 127 O 0.23209174127528 0.37500000000000 0.96090973326323 15.999 > 125 128 O 0.23209174127528 0.87500000000000 0.96090973326323 15.999 > 125----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.4373274 0.0000000 0.0000000 0.0000000 2.4279715 0.0000000 0.0000000 0.0000000 2.4268335-------------------------- Born effective charges -------------------------- 1 K 1.2029390 -0.0178480 -0.0325328 -0.0295375 1.1434913 0.0956493 -0.0248994 0.1186346 1.1416315 2 K 1.2029390 0.0178480 -0.0325328 0.0295375 1.1434913 -0.0956493 -0.0248994 -0.1186346 1.1416315 3 K 1.2029390 -0.0178480 0.0325328 -0.0295375 1.1434913 -0.0956493 0.0248994 -0.1186346 1.1416315 4 K 1.1859989 0.0000000 -0.1117602 0.0000000 1.2432109 -0.0000000 -0.0530120 -0.0000000 1.2241754 5 K 1.1859989 0.0000000 0.1117602 0.0000000 1.2432109 -0.0000000 0.0530120 -0.0000000 1.2241754 6 K 1.1859989 0.0000000 -0.1117602 0.0000000 1.2432109 -0.0000000 -0.0530120 -0.0000000 1.2241754 7 K 1.2029390 0.0178480 0.0325328 0.0295375 1.1434913 0.0956493 0.0248994 0.1186346 1.1416315 8 K 1.1859989 0.0000000 0.1117602 0.0000000 1.2432109 -0.0000000 0.0530120 -0.0000000 1.2241754 9 K 1.2029390 -0.0178480 0.0325328 -0.0295375 1.1434913 -0.0956493 0.0248994 -0.1186346 1.1416315 10 K 1.2029390 -0.0178480 -0.0325328 -0.0295375 1.1434913 0.0956493 -0.0248994 0.1186346 1.1416315 11 K 1.2029390 0.0178480 -0.0325328 0.0295375 1.1434913 -0.0956493 -0.0248994 -0.1186346 1.1416315 12 K 1.2029390 0.0178480 0.0325328 0.0295375 1.1434913 0.0956493 0.0248994 0.1186346 1.1416315 13 P 2.8752136 0.0000000 -0.0567884 0.0000000 2.9168571 -0.0000000 -0.0406202 -0.0000000 2.8683278 14 P 2.8752136 0.0000000 0.0567884 0.0000000 2.9168571 -0.0000000 0.0406202 -0.0000000 2.8683278 15 P 2.8752136 0.0000000 -0.0567884 0.0000000 2.9168571 -0.0000000 -0.0406202 -0.0000000 2.8683278 16 P 2.8752136 0.0000000 0.0567884 0.0000000 2.9168571 -0.0000000 0.0406202 -0.0000000 2.8683278 17 O -1.8610709 0.0000000 -0.5335051 0.0000000 -1.2634472 -0.0000000 -0.4819878 -0.0000000 -1.7319221 18 O -1.2445655 0.0084607 0.0631234 0.0048026 -1.9492200 -0.5374450 0.0591715 -0.5408336 -1.5665264 19 O -1.2445655 0.0084607 -0.0631234 0.0048026 -1.9492200 0.5374450 -0.0591715 0.5408336 -1.5665264 20 O -1.2445655 -0.0084607 -0.0631234 -0.0048026 -1.9492200 -0.5374450 -0.0591715 -0.5408336 -1.5665264 21 O -1.2445655 -0.0084607 -0.0631234 -0.0048026 -1.9492200 -0.5374450 -0.0591715 -0.5408336 -1.5665264 22 O -2.1168886 0.0000000 -0.4909836 0.0000000 -1.2851632 -0.0000000 -0.4971813 -0.0000000 -1.5107913 23 O -1.2445655 0.0084607 0.0631234 0.0048026 -1.9492200 -0.5374450 0.0591715 -0.5408336 -1.5665264 24 O -1.8610709 0.0000000 0.5335051 0.0000000 -1.2634472 -0.0000000 0.4819878 -0.0000000 -1.7319221 25 O -1.2445655 -0.0084607 0.0631234 -0.0048026 -1.9492200 0.5374450 0.0591715 0.5408336 -1.5665264 26 O -2.1168886 0.0000000 0.4909836 0.0000000 -1.2851632 -0.0000000 0.4971813 -0.0000000 -1.5107913 27 O -1.8610709 0.0000000 0.5335051 0.0000000 -1.2634472 -0.0000000 0.4819878 -0.0000000 -1.7319221 28 O -1.2445655 0.0084607 -0.0631234 0.0048026 -1.9492200 0.5374450 -0.0591715 0.5408336 -1.5665264 29 O -1.2445655 -0.0084607 0.0631234 -0.0048026 -1.9492200 0.5374450 0.0591715 0.5408336 -1.5665264 30 O -1.8610709 0.0000000 -0.5335051 0.0000000 -1.2634472 -0.0000000 -0.4819878 -0.0000000 -1.7319221 31 O -2.1168886 0.0000000 0.4909836 0.0000000 -1.2851632 -0.0000000 0.4971813 -0.0000000 -1.5107913 32 O -2.1168886 0.0000000 -0.4909836 0.0000000 -1.2851632 -0.0000000 -0.4971813 -0.0000000 -1.5107913----------------------------------------------------------------------------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[ 13, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 69, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 85, 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: -0.00000008 (xxx) -0.00000008 (xxx) -0.00000008 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 13:43:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 13:43:47]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 11.269898839999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.110941209999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.975430599999999Atomic positions (fractional): 1 K 0.64466959955115 0.49167756881444 0.30683647719645 39.098 2 K 0.35533040044885 0.99167756881444 0.69316352280355 39.098 3 K 0.85533040044885 0.50832243118556 0.80683647719645 39.098 4 K 0.06858959184781 0.25000000000000 0.63512785082975 39.098 5 K 0.43141040815219 0.75000000000000 0.13512785082976 39.098 6 K 0.93141040815219 0.75000000000000 0.36487214917025 39.098 7 K 0.85533040044885 0.99167756881444 0.80683647719645 39.098 8 K 0.56858959184781 0.25000000000000 0.86487214917025 39.098 9 K 0.14466959955115 0.49167756881444 0.19316352280355 39.098 10 K 0.35533040044885 0.50832243118556 0.69316352280355 39.098 11 K 0.64466959955115 0.00832243118556 0.30683647719645 39.098 12 K 0.14466959955115 0.00832243118556 0.19316352280355 39.098 13 P 0.38485883752949 0.25000000000000 0.28185402076521 30.974 14 P 0.88485883752949 0.25000000000000 0.21814597923478 30.974 15 P 0.61514116247051 0.75000000000000 0.71814597923478 30.974 16 P 0.11514116247051 0.75000000000000 0.78185402076522 30.974 17 O 0.50802926192765 0.75000000000000 0.55144689809951 15.999 18 O 0.38997531073953 0.09223955322826 0.13364751668432 15.999 19 O 0.11002468926047 0.90776044677174 0.63364751668432 15.999 20 O 0.88997531073953 0.40776044677174 0.36635248331568 15.999 21 O 0.11002468926047 0.59223955322826 0.63364751668432 15.999 22 O 0.76790825872472 0.25000000000000 0.07818053347354 15.999 23 O 0.61002468926047 0.90776044677174 0.86635248331568 15.999 24 O 0.00802926192765 0.75000000000000 0.94855310190049 15.999 25 O 0.38997531073953 0.40776044677174 0.13364751668432 15.999 26 O 0.26790825872472 0.25000000000000 0.42181946652647 15.999 27 O 0.99197073807235 0.25000000000000 0.05144689809951 15.999 28 O 0.88997531073953 0.09223955322826 0.36635248331568 15.999 29 O 0.61002468926047 0.59223955322826 0.86635248331568 15.999 30 O 0.49197073807235 0.25000000000000 0.44855310190048 15.999 31 O 0.73209174127528 0.75000000000000 0.57818053347354 15.999 32 O 0.23209174127528 0.75000000000000 0.92181946652646 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.269898839999998 0.000000000000000 0.000000000000000 b 0.000000000000000 16.221882419999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.950861199999999Atomic positions (fractional): 1 K 0.64466959955115 0.24583878440722 0.15341823859822 39.098 > 1 2 K 0.64466959955115 0.74583878440722 0.15341823859822 39.098 > 1 3 K 0.64466959955115 0.24583878440722 0.65341823859822 39.098 > 1 4 K 0.64466959955115 0.74583878440722 0.65341823859822 39.098 > 1 5 K 0.35533040044885 0.49583878440722 0.34658176140178 39.098 > 5 6 K 0.35533040044885 0.99583878440722 0.34658176140178 39.098 > 5 7 K 0.35533040044885 0.49583878440722 0.84658176140178 39.098 > 5 8 K 0.35533040044885 0.99583878440722 0.84658176140178 39.098 > 5 9 K 0.85533040044885 0.25416121559278 0.40341823859822 39.098 > 9 10 K 0.85533040044885 0.75416121559278 0.40341823859822 39.098 > 9 11 K 0.85533040044885 0.25416121559278 0.90341823859822 39.098 > 9 12 K 0.85533040044885 0.75416121559278 0.90341823859822 39.098 > 9 13 K 0.06858959184781 0.12500000000000 0.31756392541488 39.098 > 13 14 K 0.06858959184781 0.62500000000000 0.31756392541488 39.098 > 13 15 K 0.06858959184781 0.12500000000000 0.81756392541488 39.098 > 13 16 K 0.06858959184781 0.62500000000000 0.81756392541488 39.098 > 13 17 K 0.43141040815219 0.37500000000000 0.06756392541488 39.098 > 17 18 K 0.43141040815219 0.87500000000000 0.06756392541488 39.098 > 17 19 K 0.43141040815219 0.37500000000000 0.56756392541488 39.098 > 17 20 K 0.43141040815219 0.87500000000000 0.56756392541488 39.098 > 17 21 K 0.93141040815219 0.37500000000000 0.18243607458512 39.098 > 21 22 K 0.93141040815219 0.87500000000000 0.18243607458512 39.098 > 21 23 K 0.93141040815219 0.37500000000000 0.68243607458512 39.098 > 21 24 K 0.93141040815219 0.87500000000000 0.68243607458512 39.098 > 21 25 K 0.85533040044885 0.49583878440722 0.40341823859822 39.098 > 25 26 K 0.85533040044885 0.99583878440722 0.40341823859822 39.098 > 25 27 K 0.85533040044885 0.49583878440722 0.90341823859822 39.098 > 25 28 K 0.85533040044885 0.99583878440722 0.90341823859822 39.098 > 25 29 K 0.56858959184781 0.12500000000000 0.43243607458512 39.098 > 29 30 K 0.56858959184781 0.62500000000000 0.43243607458512 39.098 > 29 31 K 0.56858959184781 0.12500000000000 0.93243607458512 39.098 > 29 32 K 0.56858959184781 0.62500000000000 0.93243607458512 39.098 > 29 33 K 0.14466959955115 0.24583878440722 0.09658176140178 39.098 > 33 34 K 0.14466959955115 0.74583878440722 0.09658176140178 39.098 > 33 35 K 0.14466959955115 0.24583878440722 0.59658176140178 39.098 > 33 36 K 0.14466959955115 0.74583878440722 0.59658176140178 39.098 > 33 37 K 0.35533040044885 0.25416121559278 0.34658176140178 39.098 > 37 38 K 0.35533040044885 0.75416121559278 0.34658176140178 39.098 > 37 39 K 0.35533040044885 0.25416121559278 0.84658176140178 39.098 > 37 40 K 0.35533040044885 0.75416121559278 0.84658176140178 39.098 > 37 41 K 0.64466959955115 0.00416121559278 0.15341823859822 39.098 > 41 42 K 0.64466959955115 0.50416121559278 0.15341823859822 39.098 > 41 43 K 0.64466959955115 0.00416121559278 0.65341823859822 39.098 > 41 44 K 0.64466959955115 0.50416121559278 0.65341823859822 39.098 > 41 45 K 0.14466959955115 0.00416121559278 0.09658176140178 39.098 > 45 46 K 0.14466959955115 0.50416121559278 0.09658176140178 39.098 > 45 47 K 0.14466959955115 0.00416121559278 0.59658176140178 39.098 > 45 48 K 0.14466959955115 0.50416121559278 0.59658176140178 39.098 > 45 49 P 0.38485883752949 0.12500000000000 0.14092701038261 30.974 > 49 50 P 0.38485883752949 0.62500000000000 0.14092701038261 30.974 > 49 51 P 0.38485883752949 0.12500000000000 0.64092701038261 30.974 > 49 52 P 0.38485883752949 0.62500000000000 0.64092701038261 30.974 > 49 53 P 0.88485883752949 0.12500000000000 0.10907298961739 30.974 > 53 54 P 0.88485883752949 0.62500000000000 0.10907298961739 30.974 > 53 55 P 0.88485883752949 0.12500000000000 0.60907298961739 30.974 > 53 56 P 0.88485883752949 0.62500000000000 0.60907298961739 30.974 > 53 57 P 0.61514116247051 0.37500000000000 0.35907298961739 30.974 > 57 58 P 0.61514116247051 0.87500000000000 0.35907298961739 30.974 > 57 59 P 0.61514116247051 0.37500000000000 0.85907298961739 30.974 > 57 60 P 0.61514116247051 0.87500000000000 0.85907298961739 30.974 > 57 61 P 0.11514116247051 0.37500000000000 0.39092701038261 30.974 > 61 62 P 0.11514116247051 0.87500000000000 0.39092701038261 30.974 > 61 63 P 0.11514116247051 0.37500000000000 0.89092701038261 30.974 > 61 64 P 0.11514116247051 0.87500000000000 0.89092701038261 30.974 > 61 65 O 0.50802926192765 0.37500000000000 0.27572344904976 15.999 > 65 66 O 0.50802926192765 0.87500000000000 0.27572344904976 15.999 > 65 67 O 0.50802926192765 0.37500000000000 0.77572344904976 15.999 > 65 68 O 0.50802926192765 0.87500000000000 0.77572344904976 15.999 > 65 69 O 0.38997531073953 0.04611977661413 0.06682375834216 15.999 > 69 70 O 0.38997531073953 0.54611977661413 0.06682375834216 15.999 > 69 71 O 0.38997531073953 0.04611977661413 0.56682375834216 15.999 > 69 72 O 0.38997531073953 0.54611977661413 0.56682375834216 15.999 > 69 73 O 0.11002468926047 0.45388022338587 0.31682375834216 15.999 > 73 74 O 0.11002468926047 0.95388022338587 0.31682375834216 15.999 > 73 75 O 0.11002468926047 0.45388022338587 0.81682375834216 15.999 > 73 76 O 0.11002468926047 0.95388022338587 0.81682375834216 15.999 > 73 77 O 0.88997531073953 0.20388022338587 0.18317624165784 15.999 > 77 78 O 0.88997531073953 0.70388022338587 0.18317624165784 15.999 > 77 79 O 0.88997531073953 0.20388022338587 0.68317624165784 15.999 > 77 80 O 0.88997531073953 0.70388022338587 0.68317624165784 15.999 > 77 81 O 0.11002468926047 0.29611977661413 0.31682375834216 15.999 > 81 82 O 0.11002468926047 0.79611977661413 0.31682375834216 15.999 > 81 83 O 0.11002468926047 0.29611977661413 0.81682375834216 15.999 > 81 84 O 0.11002468926047 0.79611977661413 0.81682375834216 15.999 > 81 85 O 0.76790825872472 0.12500000000000 0.03909026673677 15.999 > 85 86 O 0.76790825872472 0.62500000000000 0.03909026673677 15.999 > 85 87 O 0.76790825872472 0.12500000000000 0.53909026673677 15.999 > 85 88 O 0.76790825872472 0.62500000000000 0.53909026673677 15.999 > 85 89 O 0.61002468926047 0.45388022338587 0.43317624165784 15.999 > 89 90 O 0.61002468926047 0.95388022338587 0.43317624165784 15.999 > 89 91 O 0.61002468926047 0.45388022338587 0.93317624165784 15.999 > 89 92 O 0.61002468926047 0.95388022338587 0.93317624165784 15.999 > 89 93 O 0.00802926192765 0.37500000000000 0.47427655095024 15.999 > 93 94 O 0.00802926192765 0.87500000000000 0.47427655095024 15.999 > 93 95 O 0.00802926192765 0.37500000000000 0.97427655095024 15.999 > 93 96 O 0.00802926192765 0.87500000000000 0.97427655095024 15.999 > 93 97 O 0.38997531073953 0.20388022338587 0.06682375834216 15.999 > 97 98 O 0.38997531073953 0.70388022338587 0.06682375834216 15.999 > 97 99 O 0.38997531073953 0.20388022338587 0.56682375834216 15.999 > 97 100 O 0.38997531073953 0.70388022338587 0.56682375834216 15.999 > 97 101 O 0.26790825872472 0.12500000000000 0.21090973326323 15.999 > 101 102 O 0.26790825872472 0.62500000000000 0.21090973326323 15.999 > 101 103 O 0.26790825872472 0.12500000000000 0.71090973326323 15.999 > 101 104 O 0.26790825872472 0.62500000000000 0.71090973326323 15.999 > 101 105 O 0.99197073807235 0.12500000000000 0.02572344904976 15.999 > 105 106 O 0.99197073807235 0.62500000000000 0.02572344904976 15.999 > 105 107 O 0.99197073807235 0.12500000000000 0.52572344904976 15.999 > 105 108 O 0.99197073807235 0.62500000000000 0.52572344904976 15.999 > 105 109 O 0.88997531073953 0.04611977661413 0.18317624165784 15.999 > 109 110 O 0.88997531073953 0.54611977661413 0.18317624165784 15.999 > 109 111 O 0.88997531073953 0.04611977661413 0.68317624165784 15.999 > 109 112 O 0.88997531073953 0.54611977661413 0.68317624165784 15.999 > 109 113 O 0.61002468926047 0.29611977661413 0.43317624165784 15.999 > 113 114 O 0.61002468926047 0.79611977661413 0.43317624165784 15.999 > 113 115 O 0.61002468926047 0.29611977661413 0.93317624165784 15.999 > 113 116 O 0.61002468926047 0.79611977661413 0.93317624165784 15.999 > 113 117 O 0.49197073807235 0.12500000000000 0.22427655095024 15.999 > 117 118 O 0.49197073807235 0.62500000000000 0.22427655095024 15.999 > 117 119 O 0.49197073807235 0.12500000000000 0.72427655095024 15.999 > 117 120 O 0.49197073807235 0.62500000000000 0.72427655095024 15.999 > 117 121 O 0.73209174127528 0.37500000000000 0.28909026673677 15.999 > 121 122 O 0.73209174127528 0.87500000000000 0.28909026673677 15.999 > 121 123 O 0.73209174127528 0.37500000000000 0.78909026673677 15.999 > 121 124 O 0.73209174127528 0.87500000000000 0.78909026673677 15.999 > 121 125 O 0.23209174127528 0.37500000000000 0.46090973326323 15.999 > 125 126 O 0.23209174127528 0.87500000000000 0.46090973326323 15.999 > 125 127 O 0.23209174127528 0.37500000000000 0.96090973326323 15.999 > 125 128 O 0.23209174127528 0.87500000000000 0.96090973326323 15.999 > 125----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.4373274 0.0000000 0.0000000 0.0000000 2.4279715 0.0000000 0.0000000 0.0000000 2.4268335-------------------------- Born effective charges -------------------------- 1 K 1.2029390 -0.0178480 -0.0325328 -0.0295375 1.1434913 0.0956493 -0.0248994 0.1186346 1.1416315 2 K 1.2029390 0.0178480 -0.0325328 0.0295375 1.1434913 -0.0956493 -0.0248994 -0.1186346 1.1416315 3 K 1.2029390 -0.0178480 0.0325328 -0.0295375 1.1434913 -0.0956493 0.0248994 -0.1186346 1.1416315 4 K 1.1859989 0.0000000 -0.1117602 0.0000000 1.2432109 -0.0000000 -0.0530120 -0.0000000 1.2241754 5 K 1.1859989 0.0000000 0.1117602 0.0000000 1.2432109 -0.0000000 0.0530120 -0.0000000 1.2241754 6 K 1.1859989 0.0000000 -0.1117602 0.0000000 1.2432109 -0.0000000 -0.0530120 -0.0000000 1.2241754 7 K 1.2029390 0.0178480 0.0325328 0.0295375 1.1434913 0.0956493 0.0248994 0.1186346 1.1416315 8 K 1.1859989 0.0000000 0.1117602 0.0000000 1.2432109 -0.0000000 0.0530120 -0.0000000 1.2241754 9 K 1.2029390 -0.0178480 0.0325328 -0.0295375 1.1434913 -0.0956493 0.0248994 -0.1186346 1.1416315 10 K 1.2029390 -0.0178480 -0.0325328 -0.0295375 1.1434913 0.0956493 -0.0248994 0.1186346 1.1416315 11 K 1.2029390 0.0178480 -0.0325328 0.0295375 1.1434913 -0.0956493 -0.0248994 -0.1186346 1.1416315 12 K 1.2029390 0.0178480 0.0325328 0.0295375 1.1434913 0.0956493 0.0248994 0.1186346 1.1416315 13 P 2.8752136 0.0000000 -0.0567884 0.0000000 2.9168571 -0.0000000 -0.0406202 -0.0000000 2.8683278 14 P 2.8752136 0.0000000 0.0567884 0.0000000 2.9168571 -0.0000000 0.0406202 -0.0000000 2.8683278 15 P 2.8752136 0.0000000 -0.0567884 0.0000000 2.9168571 -0.0000000 -0.0406202 -0.0000000 2.8683278 16 P 2.8752136 0.0000000 0.0567884 0.0000000 2.9168571 -0.0000000 0.0406202 -0.0000000 2.8683278 17 O -1.8610709 0.0000000 -0.5335051 0.0000000 -1.2634472 -0.0000000 -0.4819878 -0.0000000 -1.7319221 18 O -1.2445655 0.0084607 0.0631234 0.0048026 -1.9492200 -0.5374450 0.0591715 -0.5408336 -1.5665264 19 O -1.2445655 0.0084607 -0.0631234 0.0048026 -1.9492200 0.5374450 -0.0591715 0.5408336 -1.5665264 20 O -1.2445655 -0.0084607 -0.0631234 -0.0048026 -1.9492200 -0.5374450 -0.0591715 -0.5408336 -1.5665264 21 O -1.2445655 -0.0084607 -0.0631234 -0.0048026 -1.9492200 -0.5374450 -0.0591715 -0.5408336 -1.5665264 22 O -2.1168886 0.0000000 -0.4909836 0.0000000 -1.2851632 -0.0000000 -0.4971813 -0.0000000 -1.5107913 23 O -1.2445655 0.0084607 0.0631234 0.0048026 -1.9492200 -0.5374450 0.0591715 -0.5408336 -1.5665264 24 O -1.8610709 0.0000000 0.5335051 0.0000000 -1.2634472 -0.0000000 0.4819878 -0.0000000 -1.7319221 25 O -1.2445655 -0.0084607 0.0631234 -0.0048026 -1.9492200 0.5374450 0.0591715 0.5408336 -1.5665264 26 O -2.1168886 0.0000000 0.4909836 0.0000000 -1.2851632 -0.0000000 0.4971813 -0.0000000 -1.5107913 27 O -1.8610709 0.0000000 0.5335051 0.0000000 -1.2634472 -0.0000000 0.4819878 -0.0000000 -1.7319221 28 O -1.2445655 0.0084607 -0.0631234 0.0048026 -1.9492200 0.5374450 -0.0591715 0.5408336 -1.5665264 29 O -1.2445655 -0.0084607 0.0631234 -0.0048026 -1.9492200 0.5374450 0.0591715 0.5408336 -1.5665264 30 O -1.8610709 0.0000000 -0.5335051 0.0000000 -1.2634472 -0.0000000 -0.4819878 -0.0000000 -1.7319221 31 O -2.1168886 0.0000000 0.4909836 0.0000000 -1.2851632 -0.0000000 0.4971813 -0.0000000 -1.5107913 32 O -2.1168886 0.0000000 -0.4909836 0.0000000 -1.2851632 -0.0000000 -0.4971813 -0.0000000 -1.5107913----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000008 (xxx) -0.00000008 (xxx) -0.00000008 (xxx)Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 4 6 8 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 301, Lambda: 0.08Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/60) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 1.657 ( 0.000 0.000 0.000) 0.000 1.982 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.303 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.236 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 0.000) 0.000 5.222 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 5.995 ( 0.000 0.000 0.000) 0.000 5.997 ( 0.000 0.000 0.000) 0.000 6.704 ( 0.000 0.000 0.000) 0.000 11.455 ( 0.000 0.000 0.000) 0.000 11.600 ( 0.000 0.000 0.000) 0.000 11.695 ( 0.000 0.000 0.000) 0.000 11.703 ( 0.000 0.000 0.000) 0.000 11.745 ( 0.000 0.000 0.000) 0.000 11.817 ( 0.000 0.000 0.000) 0.000 11.867 ( 0.000 0.000 0.000) 0.000 12.132 ( 0.000 0.000 0.000) 0.000 15.879 ( 0.000 0.000 0.000) 0.000 15.890 ( 0.000 0.000 0.000) 0.000 15.905 ( 0.000 0.000 0.000) 0.000 15.918 ( 0.000 0.000 0.000) 0.000 15.989 ( 0.000 0.000 0.000) 0.000 16.049 ( 0.000 0.000 0.000) 0.000 16.053 ( 0.000 0.000 0.000) 0.000 16.081 ( 0.000 0.000 0.000) 0.000 16.156 ( 0.000 0.000 0.000) 0.000 16.169 ( 0.000 0.000 0.000) 0.000 16.329 ( 0.000 0.000 0.000) 0.000 16.336 ( 0.000 0.000 0.000) 0.000 26.470 ( 0.000 0.000 0.000) 0.000 26.486 ( 0.000 0.000 0.000) 0.000 26.487 ( 0.000 0.000 0.000) 0.000 26.508 ( 0.000 0.000 0.000) 0.000 28.706 ( 0.000 0.000 0.000) 0.000 28.821 ( 0.000 0.000 0.000) 0.000 29.087 ( 0.000 0.000 0.000) 0.000 29.198 ( 0.000 0.000 0.000) 0.000 29.275 ( 0.000 0.000 0.000) 0.000 29.338 ( 0.000 0.000 0.000) 0.000 29.594 ( 0.000 0.000 0.000) 0.000 29.642 ( 0.000 0.000 0.000) 0.000 29.882 ( 0.000 0.000 0.000) 0.000 29.944 ( 0.000 0.000 0.000) 0.000 30.403 ( 0.000 0.000 0.000) 0.000 30.478 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/60) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.655 ( 29.236 0.000 0.000) 29.236 0.704 ( 31.166 0.000 0.000) 31.166 1.103 ( 48.165 0.000 0.000) 48.165 1.648 ( -1.491 0.000 0.000) 1.491 1.866 ( -23.104 0.000 0.000) 23.104 1.924 ( -4.575 0.000 0.000) 4.575 2.046 ( -19.136 0.000 0.000) 19.136 2.319 ( 7.313 0.000 0.000) 7.313 2.633 ( 14.648 0.000 0.000) 14.648 2.639 ( -8.300 0.000 0.000) 8.300 2.658 ( -5.781 0.000 0.000) 5.781 2.792 ( 4.864 0.000 0.000) 4.864 2.847 ( -4.945 0.000 0.000) 4.945 2.888 ( -10.469 0.000 0.000) 10.469 2.949 ( 3.804 0.000 0.000) 3.804 3.044 ( -0.331 0.000 0.000) 0.331 3.139 ( -10.120 0.000 0.000) 10.120 3.178 ( 1.993 0.000 0.000) 1.993 3.222 ( 5.753 0.000 0.000) 5.753 3.360 ( 2.847 0.000 0.000) 2.847 3.369 ( 5.785 0.000 0.000) 5.785 3.471 ( -21.155 0.000 0.000) 21.155 3.529 ( 4.746 0.000 0.000) 4.746 3.564 ( -3.437 0.000 0.000) 3.437 3.676 ( -1.142 0.000 0.000) 1.142 3.689 ( 2.516 0.000 0.000) 2.516 3.744 ( 1.112 0.000 0.000) 1.112 3.760 ( -12.032 0.000 0.000) 12.032 3.812 ( 12.307 0.000 0.000) 12.307 4.044 ( 2.678 0.000 0.000) 2.678 4.050 ( 3.090 0.000 0.000) 3.090 4.117 ( 3.482 0.000 0.000) 3.482 4.155 ( 3.107 0.000 0.000) 3.107 4.204 ( 6.224 0.000 0.000) 6.224 4.217 ( -1.482 0.000 0.000) 1.482 4.299 ( -0.172 0.000 0.000) 0.172 4.319 ( 1.403 0.000 0.000) 1.403 4.319 ( 1.079 0.000 0.000) 1.079 4.395 ( -0.303 0.000 0.000) 0.303 4.418 ( 0.476 0.000 0.000) 0.476 4.652 ( -5.103 0.000 0.000) 5.103 4.703 ( 11.647 0.000 0.000) 11.647 4.785 ( 5.352 0.000 0.000) 5.352 4.802 ( -9.210 0.000 0.000) 9.210 4.878 ( -0.853 0.000 0.000) 0.853 4.974 ( -1.637 0.000 0.000) 1.637 5.136 ( 0.746 0.000 0.000) 0.746 5.149 ( -4.056 0.000 0.000) 4.056 5.193 ( -5.444 0.000 0.000) 5.444 5.344 ( -6.800 0.000 0.000) 6.800 5.402 ( 6.237 0.000 0.000) 6.237 5.462 ( 1.732 0.000 0.000) 1.732 5.481 ( 1.611 0.000 0.000) 1.611 5.580 ( -1.943 0.000 0.000) 1.943 5.626 ( 2.884 0.000 0.000) 2.884 5.834 ( -9.802 0.000 0.000) 9.802 5.933 ( -0.247 0.000 0.000) 0.247 5.979 ( -1.602 0.000 0.000) 1.602 6.910 ( 14.296 0.000 0.000) 14.296 7.443 ( -6.997 0.000 0.000) 6.997 11.511 ( 4.742 0.000 0.000) 4.742 11.601 ( 0.148 0.000 0.000) 0.148 11.646 ( -2.340 0.000 0.000) 2.340 11.721 ( 2.174 0.000 0.000) 2.174 11.766 ( -4.359 0.000 0.000) 4.359 11.843 ( -2.114 0.000 0.000) 2.114 11.844 ( 5.899 0.000 0.000) 5.899 12.092 ( -3.797 0.000 0.000) 3.797 15.882 ( -0.510 0.000 0.000) 0.510 15.896 ( -0.766 0.000 0.000) 0.766 15.920 ( 0.225 0.000 0.000) 0.225 15.956 ( -1.643 0.000 0.000) 1.643 16.032 ( -0.397 0.000 0.000) 0.397 16.052 ( -0.241 0.000 0.000) 0.241 16.114 ( 4.267 0.000 0.000) 4.267 16.119 ( 2.011 0.000 0.000) 2.011 16.166 ( -0.304 0.000 0.000) 0.304 16.297 ( -2.810 0.000 0.000) 2.810 16.305 ( 0.343 0.000 0.000) 0.343 16.330 ( -0.518 0.000 0.000) 0.518 26.471 ( 0.062 0.000 0.000) 0.062 26.482 ( -0.322 0.000 0.000) 0.322 26.492 ( 0.382 0.000 0.000) 0.382 26.507 ( -0.126 0.000 0.000) 0.126 28.878 ( 4.749 0.000 0.000) 4.749 29.078 ( -1.371 0.000 0.000) 1.371 29.178 ( -1.161 0.000 0.000) 1.161 29.232 ( -2.730 0.000 0.000) 2.730 29.358 ( 1.866 0.000 0.000) 1.866 29.519 ( 6.055 0.000 0.000) 6.055 29.520 ( -4.881 0.000 0.000) 4.881 29.856 ( -6.989 0.000 0.000) 6.989 29.994 ( 8.106 0.000 0.000) 8.106 30.342 ( -5.279 0.000 0.000) 5.279 30.527 ( 3.674 0.000 0.000) 3.674 30.667 ( -1.764 0.000 0.000) 1.764======================= Grid point 2 (3/60) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.288 ( -27.428 0.000 0.000) 27.428 1.288 ( 27.428 0.000 0.000) 27.428 1.356 ( -26.099 0.000 0.000) 26.099 1.356 ( 26.099 0.000 0.000) 26.099 1.829 ( -1.976 0.000 0.000) 1.976 1.829 ( 1.976 0.000 0.000) 1.976 2.102 ( -38.848 0.000 0.000) 38.848 2.102 ( 38.848 0.000 0.000) 38.848 2.502 ( -8.202 0.000 0.000) 8.202 2.502 ( 8.202 0.000 0.000) 8.202 2.760 ( -0.026 0.000 0.000) 0.026 2.760 ( 0.026 0.000 0.000) 0.026 2.925 ( -7.269 0.000 0.000) 7.269 2.925 ( 7.269 0.000 0.000) 7.269 2.962 ( -13.024 0.000 0.000) 13.024 2.962 ( 13.024 0.000 0.000) 13.024 3.027 ( -1.529 0.000 0.000) 1.529 3.027 ( 1.529 0.000 0.000) 1.529 3.362 ( -1.389 0.000 0.000) 1.389 3.362 ( 1.389 0.000 0.000) 1.389 3.440 ( -5.173 0.000 0.000) 5.173 3.440 ( 5.173 0.000 0.000) 5.173 3.483 ( -9.654 0.000 0.000) 9.654 3.483 ( 9.654 0.000 0.000) 9.654 3.630 ( -3.343 0.000 0.000) 3.343 3.630 ( 3.343 0.000 0.000) 3.343 3.750 ( -2.008 0.000 0.000) 2.008 3.750 ( 2.008 0.000 0.000) 2.008 4.047 ( -5.092 0.000 0.000) 5.092 4.047 ( 5.092 0.000 0.000) 5.092 4.102 ( -2.013 0.000 0.000) 2.013 4.102 ( 2.013 0.000 0.000) 2.013 4.255 ( -5.561 0.000 0.000) 5.561 4.255 ( 5.561 0.000 0.000) 5.561 4.262 ( -3.217 0.000 0.000) 3.217 4.262 ( 3.217 0.000 0.000) 3.217 4.322 ( -3.011 0.000 0.000) 3.011 4.322 ( 3.011 0.000 0.000) 3.011 4.421 ( -0.989 0.000 0.000) 0.989 4.421 ( 0.989 0.000 0.000) 0.989 4.621 ( -4.603 0.000 0.000) 4.603 4.621 ( 4.603 0.000 0.000) 4.603 4.863 ( -1.345 0.000 0.000) 1.345 4.863 ( 1.345 0.000 0.000) 1.345 4.871 ( -5.355 0.000 0.000) 5.355 4.871 ( 5.355 0.000 0.000) 5.355 5.127 ( -1.856 0.000 0.000) 1.856 5.127 ( 1.856 0.000 0.000) 1.856 5.193 ( -5.183 0.000 0.000) 5.183 5.193 ( 5.183 0.000 0.000) 5.183 5.481 ( -0.306 0.000 0.000) 0.306 5.481 ( 0.306 0.000 0.000) 0.306 5.527 ( -2.476 0.000 0.000) 2.476 5.527 ( 2.476 0.000 0.000) 2.476 5.687 ( -3.236 0.000 0.000) 3.236 5.687 ( 3.236 0.000 0.000) 3.236 5.941 ( -1.241 0.000 0.000) 1.241 5.941 ( 1.241 0.000 0.000) 1.241 7.222 ( -12.630 0.000 0.000) 12.630 7.222 ( 12.630 0.000 0.000) 12.630 11.611 ( -0.868 0.000 0.000) 0.868 11.611 ( 0.868 0.000 0.000) 0.868 11.641 ( -6.365 0.000 0.000) 6.365 11.641 ( 6.365 0.000 0.000) 6.365 11.782 ( -3.077 0.000 0.000) 3.077 11.782 ( 3.077 0.000 0.000) 3.077 11.979 ( -5.960 0.000 0.000) 5.960 11.979 ( 5.960 0.000 0.000) 5.960 15.880 ( -0.433 0.000 0.000) 0.433 15.880 ( 0.433 0.000 0.000) 0.433 15.930 ( -0.745 0.000 0.000) 0.745 15.930 ( 0.745 0.000 0.000) 0.745 16.039 ( -0.748 0.000 0.000) 0.748 16.039 ( 0.748 0.000 0.000) 0.748 16.153 ( -0.989 0.000 0.000) 0.989 16.153 ( 0.989 0.000 0.000) 0.989 16.214 ( -4.427 0.000 0.000) 4.427 16.214 ( 4.427 0.000 0.000) 4.427 16.316 ( -0.663 0.000 0.000) 0.663 16.316 ( 0.663 0.000 0.000) 0.663 26.475 ( -0.271 0.000 0.000) 0.271 26.475 ( 0.271 0.000 0.000) 0.271 26.501 ( -0.364 0.000 0.000) 0.364 26.501 ( 0.364 0.000 0.000) 0.364 29.000 ( -5.342 0.000 0.000) 5.342 29.000 ( 5.342 0.000 0.000) 5.342 29.182 ( -1.520 0.000 0.000) 1.520 29.182 ( 1.520 0.000 0.000) 1.520 29.421 ( -3.740 0.000 0.000) 3.740 29.421 ( 3.740 0.000 0.000) 3.740 29.680 ( -8.093 0.000 0.000) 8.093 29.680 ( 8.093 0.000 0.000) 8.093 30.185 ( -8.430 0.000 0.000) 8.430 30.185 ( 8.430 0.000 0.000) 8.430 30.610 ( -3.337 0.000 0.000) 3.337 30.610 ( 3.337 0.000 0.000) 3.337======================= Grid point 5 (4/60) =======================q-point: ( 0.00 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.617 ( 0.000 29.305 0.000) 29.305 0.640 ( 0.000 30.548 0.000) 30.548 0.999 ( 0.000 47.510 0.000) 47.510 1.739 ( 0.000 7.124 0.000) 7.124 2.118 ( 0.000 12.023 0.000) 12.023 2.173 ( 0.000 -10.778 0.000) 10.778 2.232 ( 0.000 -0.543 0.000) 0.543 2.268 ( 0.000 -5.009 0.000) 5.009 2.297 ( 0.000 2.969 0.000) 2.969 2.657 ( 0.000 -4.543 0.000) 4.543 2.739 ( 0.000 -1.299 0.000) 1.299 2.758 ( 0.000 -0.190 0.000) 0.190 2.910 ( 0.000 2.110 0.000) 2.110 2.944 ( 0.000 1.185 0.000) 1.185 3.001 ( 0.000 -5.833 0.000) 5.833 3.020 ( 0.000 1.717 0.000) 1.717 3.030 ( 0.000 1.048 0.000) 1.048 3.136 ( 0.000 1.265 0.000) 1.265 3.215 ( 0.000 -4.553 0.000) 4.553 3.282 ( 0.000 1.279 0.000) 1.279 3.305 ( 0.000 -0.593 0.000) 0.593 3.321 ( 0.000 -13.983 0.000) 13.983 3.488 ( 0.000 1.424 0.000) 1.424 3.611 ( 0.000 -2.341 0.000) 2.341 3.714 ( 0.000 1.323 0.000) 1.323 3.780 ( 0.000 6.251 0.000) 6.251 3.907 ( 0.000 0.170 0.000) 0.170 3.947 ( 0.000 -1.988 0.000) 1.988 3.962 ( 0.000 -0.859 0.000) 0.859 4.017 ( 0.000 -2.763 0.000) 2.763 4.046 ( 0.000 -0.871 0.000) 0.871 4.060 ( 0.000 -4.779 0.000) 4.779 4.102 ( 0.000 4.400 0.000) 4.400 4.110 ( 0.000 -0.856 0.000) 0.856 4.169 ( 0.000 2.018 0.000) 2.018 4.194 ( 0.000 -2.967 0.000) 2.967 4.292 ( 0.000 3.893 0.000) 3.893 4.384 ( 0.000 -1.522 0.000) 1.522 4.396 ( 0.000 10.561 0.000) 10.561 4.595 ( 0.000 0.974 0.000) 0.974 4.654 ( 0.000 12.185 0.000) 12.185 4.660 ( 0.000 4.923 0.000) 4.923 4.709 ( 0.000 1.102 0.000) 1.102 4.864 ( 0.000 -2.081 0.000) 2.081 4.883 ( 0.000 -24.442 0.000) 24.442 4.951 ( 0.000 0.732 0.000) 0.732 4.957 ( 0.000 -0.383 0.000) 0.383 5.045 ( 0.000 -2.956 0.000) 2.956 5.174 ( 0.000 0.475 0.000) 0.475 5.207 ( 0.000 -1.974 0.000) 1.974 5.365 ( 0.000 -1.455 0.000) 1.455 5.412 ( 0.000 7.159 0.000) 7.159 5.556 ( 0.000 -3.747 0.000) 3.747 5.801 ( 0.000 5.045 0.000) 5.045 5.904 ( 0.000 -8.438 0.000) 8.438 5.971 ( 0.000 18.916 0.000) 18.916 5.979 ( 0.000 3.468 0.000) 3.468 5.983 ( 0.000 -1.369 0.000) 1.369 6.620 ( 0.000 -7.826 0.000) 7.826 7.275 ( 0.000 -6.738 0.000) 6.738 11.473 ( 0.000 1.613 0.000) 1.613 11.635 ( 0.000 3.287 0.000) 3.287 11.667 ( 0.000 -2.458 0.000) 2.458 11.680 ( 0.000 -1.446 0.000) 1.446 11.685 ( 0.000 -3.238 0.000) 3.238 11.907 ( 0.000 5.855 0.000) 5.855 11.930 ( 0.000 4.844 0.000) 4.844 12.095 ( 0.000 -3.483 0.000) 3.483 15.883 ( 0.000 0.307 0.000) 0.307 15.901 ( 0.000 0.888 0.000) 0.888 15.906 ( 0.000 0.069 0.000) 0.069 15.966 ( 0.000 -1.955 0.000) 1.955 16.032 ( 0.000 -1.388 0.000) 1.388 16.058 ( 0.000 0.354 0.000) 0.354 16.083 ( 0.000 0.229 0.000) 0.229 16.149 ( 0.000 -0.630 0.000) 0.630 16.176 ( 0.000 0.659 0.000) 0.659 16.291 ( 0.000 0.329 0.000) 0.329 16.323 ( 0.000 -1.278 0.000) 1.278 16.327 ( 0.000 -0.221 0.000) 0.221 26.471 ( 0.000 0.104 0.000) 0.104 26.486 ( 0.000 -0.109 0.000) 0.109 26.487 ( 0.000 0.109 0.000) 0.109 26.506 ( 0.000 -0.146 0.000) 0.146 28.712 ( 0.000 0.620 0.000) 0.620 28.812 ( 0.000 -0.791 0.000) 0.791 29.100 ( 0.000 1.296 0.000) 1.296 29.164 ( 0.000 -2.897 0.000) 2.897 29.281 ( 0.000 0.602 0.000) 0.602 29.517 ( 0.000 -6.428 0.000) 6.428 29.546 ( 0.000 -16.245 0.000) 16.245 29.582 ( 0.000 -5.078 0.000) 5.078 30.277 ( 0.000 15.955 0.000) 15.955 30.485 ( 0.000 7.165 0.000) 7.165 30.553 ( 0.000 5.985 0.000) 5.985 31.059 ( 0.000 -2.588 0.000) 2.588======================= Grid point 6 (5/60) =======================q-point: ( 0.25 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.729 ( 19.127 13.922 0.000) 23.657 0.865 ( 19.065 17.636 0.000) 25.971 1.583 ( 35.332 33.023 0.000) 48.362 1.728 ( -3.609 6.538 0.000) 7.468 1.870 ( -21.322 1.826 0.000) 21.400 1.925 ( -16.008 -7.873 0.000) 17.840 2.058 ( -4.555 10.888 0.000) 11.803 2.325 ( 7.828 -0.625 0.000) 7.853 2.555 ( 10.981 -4.874 0.000) 12.014 2.603 ( -2.100 -6.372 0.000) 6.710 2.695 ( -4.641 -3.828 0.000) 6.016 2.763 ( -6.344 0.835 0.000) 6.398 2.824 ( 3.207 2.858 0.000) 4.296 2.893 ( -9.509 -1.048 0.000) 9.566 2.974 ( 1.389 1.345 0.000) 1.933 3.007 ( -2.614 -0.632 0.000) 2.690 3.105 ( -5.535 -3.105 0.000) 6.346 3.184 ( 7.503 -2.213 0.000) 7.823 3.189 ( 8.144 -4.604 0.000) 9.355 3.316 ( 5.867 -3.380 0.000) 6.771 3.334 ( -5.397 7.309 0.000) 9.085 3.476 ( -3.056 -0.271 0.000) 3.068 3.569 ( 6.855 -2.753 0.000) 7.387 3.626 ( -0.882 -0.308 0.000) 0.934 3.674 ( -2.667 0.525 0.000) 2.718 3.732 ( -8.344 8.794 0.000) 12.122 3.764 ( -9.366 0.666 0.000) 9.390 3.818 ( 2.200 2.333 0.000) 3.206 3.852 ( -4.514 5.713 0.000) 7.281 3.966 ( 0.144 -1.974 0.000) 1.979 4.083 ( 4.298 -3.006 0.000) 5.244 4.097 ( 4.737 2.483 0.000) 5.348 4.128 ( 4.935 -4.977 0.000) 7.009 4.131 ( 1.920 -3.268 0.000) 3.790 4.242 ( 4.636 1.079 0.000) 4.759 4.281 ( 2.298 -2.413 0.000) 3.332 4.283 ( -1.734 -1.325 0.000) 2.182 4.367 ( -1.436 -1.147 0.000) 1.838 4.462 ( 5.265 6.065 0.000) 8.031 4.467 ( -3.502 5.407 0.000) 6.442 4.708 ( -1.488 5.064 0.000) 5.278 4.741 ( 1.882 1.596 0.000) 2.467 4.767 ( -0.371 -7.029 0.000) 7.039 4.835 ( -7.926 2.231 0.000) 8.234 4.854 ( 3.334 -8.906 0.000) 9.510 4.910 ( 1.112 2.699 0.000) 2.919 5.004 ( 3.479 -10.561 0.000) 11.120 5.071 ( 3.311 -1.129 0.000) 3.499 5.163 ( -6.287 -1.708 0.000) 6.515 5.206 ( -6.050 -0.869 0.000) 6.113 5.365 ( 3.768 -3.763 0.000) 5.325 5.405 ( 0.485 -1.034 0.000) 1.142 5.565 ( 1.099 -0.661 0.000) 1.282 5.717 ( -3.603 6.886 0.000) 7.771 5.799 ( -6.631 8.957 0.000) 11.144 5.809 ( -4.514 -1.788 0.000) 4.856 5.987 ( 1.065 4.791 0.000) 4.908 6.077 ( 0.849 10.125 0.000) 10.161 6.813 ( 13.522 -8.978 0.000) 16.231 7.279 ( -3.549 -11.655 0.000) 12.183 11.530 ( 4.739 1.716 0.000) 5.040 11.621 ( -0.693 1.794 0.000) 1.923 11.626 ( -1.435 -1.192 0.000) 1.866 11.726 ( 0.165 -2.793 0.000) 2.798 11.756 ( 4.171 1.608 0.000) 4.470 11.895 ( -0.573 4.693 0.000) 4.728 11.911 ( -0.921 4.399 0.000) 4.494 12.059 ( -3.193 -3.030 0.000) 4.402 15.833 ( -0.854 -2.261 0.000) 2.417 15.883 ( -1.164 -0.033 0.000) 1.165 15.901 ( -1.144 -0.581 0.000) 1.283 15.919 ( -2.726 -2.682 0.000) 3.824 16.062 ( 1.147 0.355 0.000) 1.201 16.101 ( 3.364 -0.724 0.000) 3.441 16.103 ( -0.595 2.080 0.000) 2.163 16.125 ( 0.769 0.900 0.000) 1.184 16.179 ( 0.397 1.044 0.000) 1.117 16.286 ( -0.213 -0.869 0.000) 0.895 16.296 ( -2.239 -0.224 0.000) 2.250 16.317 ( -0.531 -1.221 0.000) 1.331 26.472 ( 0.096 0.108 0.000) 0.144 26.483 ( -0.310 0.129 0.000) 0.336 26.491 ( 0.361 -0.140 0.000) 0.387 26.505 ( -0.138 -0.165 0.000) 0.215 28.866 ( 4.710 -1.148 0.000) 4.848 28.986 ( 13.904 -12.641 0.000) 18.791 29.078 ( -2.472 -0.257 0.000) 2.485 29.162 ( 0.366 -0.924 0.000) 0.994 29.250 ( -2.364 0.680 0.000) 2.460 29.390 ( -6.700 -10.408 0.000) 12.378 29.585 ( 0.860 -3.575 0.000) 3.677 29.626 ( 2.072 -11.457 0.000) 11.643 30.270 ( 0.504 15.124 0.000) 15.132 30.435 ( -4.141 8.095 0.000) 9.092 30.607 ( 4.111 6.106 0.000) 7.361 30.867 ( -9.379 7.955 0.000) 12.298======================= Grid point 7 (6/60) =======================q-point: (-0.50 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.268 ( -16.586 -0.687 0.000) 16.601 1.268 ( 16.586 -0.687 0.000) 16.601 1.379 ( -13.078 5.802 0.000) 14.307 1.379 ( 13.078 5.802 0.000) 14.307 1.881 ( -4.701 6.091 0.000) 7.694 1.881 ( 4.701 6.091 0.000) 7.694 2.403 ( -27.161 19.058 0.000) 33.180 2.403 ( 27.161 19.058 0.000) 33.180 2.533 ( -8.659 1.729 0.000) 8.830 2.533 ( 8.659 1.729 0.000) 8.830 2.651 ( -0.541 -6.807 0.000) 6.828 2.651 ( 0.541 -6.807 0.000) 6.828 2.796 ( -6.833 -5.183 0.000) 8.577 2.796 ( 6.833 -5.183 0.000) 8.577 3.002 ( -0.127 -2.267 0.000) 2.271 3.002 ( 0.127 -2.267 0.000) 2.271 3.066 ( -5.254 3.681 0.000) 6.415 3.066 ( 5.254 3.681 0.000) 6.415 3.341 ( -0.249 -0.879 0.000) 0.914 3.341 ( 0.249 -0.879 0.000) 0.914 3.423 ( -4.303 -1.472 0.000) 4.548 3.423 ( 4.303 -1.472 0.000) 4.548 3.501 ( -1.717 2.469 0.000) 3.007 3.501 ( 1.717 2.469 0.000) 3.007 3.671 ( -2.091 1.214 0.000) 2.418 3.671 ( 2.091 1.214 0.000) 2.418 3.788 ( -3.173 2.877 0.000) 4.283 3.788 ( 3.173 2.877 0.000) 4.283 3.930 ( -4.304 -2.822 0.000) 5.147 3.930 ( 4.304 -2.822 0.000) 5.147 4.150 ( -1.008 -1.107 0.000) 1.498 4.150 ( 1.008 -1.107 0.000) 1.498 4.206 ( -2.351 -0.108 0.000) 2.354 4.206 ( 2.351 -0.108 0.000) 2.354 4.265 ( -2.700 -3.071 0.000) 4.089 4.265 ( 2.700 -3.071 0.000) 4.089 4.320 ( -2.059 -2.078 0.000) 2.925 4.320 ( 2.059 -2.078 0.000) 2.925 4.492 ( -3.725 6.997 0.000) 7.927 4.492 ( 3.725 6.997 0.000) 7.927 4.698 ( -2.856 5.533 0.000) 6.227 4.698 ( 2.856 5.533 0.000) 6.227 4.823 ( -5.619 -5.184 0.000) 7.645 4.823 ( 5.619 -5.184 0.000) 7.645 4.841 ( -7.015 -2.355 0.000) 7.400 4.841 ( 7.015 -2.355 0.000) 7.400 5.021 ( -2.693 -9.831 0.000) 10.193 5.021 ( 2.693 -9.831 0.000) 10.193 5.139 ( -0.398 -0.311 0.000) 0.505 5.139 ( 0.398 -0.311 0.000) 0.505 5.410 ( -0.427 -4.278 0.000) 4.300 5.410 ( 0.427 -4.278 0.000) 4.300 5.621 ( -4.165 6.191 0.000) 7.461 5.621 ( 4.165 6.191 0.000) 7.461 5.755 ( -1.162 3.499 0.000) 3.687 5.755 ( 1.162 3.499 0.000) 3.687 6.039 ( -3.184 8.913 0.000) 9.465 6.039 ( 3.184 8.913 0.000) 9.465 7.104 ( -11.391 -10.417 0.000) 15.436 7.104 ( 11.391 -10.417 0.000) 15.436 11.611 ( -0.036 0.390 0.000) 0.392 11.611 ( 0.036 0.390 0.000) 0.392 11.655 ( -5.509 0.984 0.000) 5.596 11.655 ( 5.509 0.984 0.000) 5.596 11.840 ( -3.426 4.281 0.000) 5.483 11.840 ( 3.426 4.281 0.000) 5.483 11.968 ( -4.391 -0.938 0.000) 4.490 11.968 ( 4.391 -0.938 0.000) 4.490 15.852 ( -1.840 -3.445 0.000) 3.906 15.852 ( 1.840 -3.445 0.000) 3.906 15.882 ( -0.017 -1.297 0.000) 1.297 15.882 ( 0.017 -1.297 0.000) 1.297 16.082 ( -0.816 2.300 0.000) 2.440 16.082 ( 0.816 2.300 0.000) 2.440 16.146 ( -0.034 -0.511 0.000) 0.512 16.146 ( 0.034 -0.511 0.000) 0.512 16.219 ( -3.485 0.515 0.000) 3.523 16.219 ( 3.485 0.515 0.000) 3.523 16.301 ( -0.771 -1.197 0.000) 1.424 16.301 ( 0.771 -1.197 0.000) 1.424 26.476 ( -0.278 0.139 0.000) 0.311 26.476 ( 0.278 0.139 0.000) 0.311 26.499 ( -0.357 -0.173 0.000) 0.397 26.499 ( 0.357 -0.173 0.000) 0.397 28.986 ( -5.398 -1.241 0.000) 5.539 28.986 ( 5.398 -1.241 0.000) 5.539 29.185 ( -0.368 -0.259 0.000) 0.450 29.185 ( 0.368 -0.259 0.000) 0.450 29.234 ( -6.547 -10.952 0.000) 12.760 29.234 ( 6.547 -10.952 0.000) 12.760 29.622 ( -1.806 -6.559 0.000) 6.803 29.622 ( 1.806 -6.559 0.000) 6.803 30.329 ( -4.543 11.247 0.000) 12.129 30.329 ( 4.543 11.247 0.000) 12.129 30.713 ( -5.418 6.946 0.000) 8.809 30.713 ( 5.418 6.946 0.000) 8.809======================= Grid point 10 (7/60) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( 0.000 25.665 0.000) 25.665 1.241 ( 0.000 27.554 0.000) 27.554 1.895 ( 0.000 6.853 0.000) 6.853 1.926 ( 0.000 41.701 0.000) 41.701 1.936 ( 0.000 -11.869 0.000) 11.869 2.099 ( 0.000 -12.124 0.000) 12.124 2.173 ( 0.000 -6.098 0.000) 6.098 2.357 ( 0.000 7.330 0.000) 7.330 2.445 ( 0.000 13.758 0.000) 13.758 2.584 ( 0.000 -1.665 0.000) 1.665 2.657 ( 0.000 -4.632 0.000) 4.632 2.692 ( 0.000 -5.595 0.000) 5.595 2.875 ( 0.000 -3.954 0.000) 3.954 2.945 ( 0.000 0.537 0.000) 0.537 2.991 ( 0.000 2.098 0.000) 2.098 3.023 ( 0.000 -13.731 0.000) 13.731 3.025 ( 0.000 -6.210 0.000) 6.210 3.071 ( 0.000 2.831 0.000) 2.831 3.137 ( 0.000 3.784 0.000) 3.784 3.137 ( 0.000 -2.677 0.000) 2.677 3.219 ( 0.000 -9.920 0.000) 9.920 3.308 ( 0.000 -0.881 0.000) 0.881 3.552 ( 0.000 4.843 0.000) 4.843 3.648 ( 0.000 4.249 0.000) 4.249 3.747 ( 0.000 1.822 0.000) 1.822 3.872 ( 0.000 2.865 0.000) 2.865 3.873 ( 0.000 -3.366 0.000) 3.366 3.910 ( 0.000 -6.947 0.000) 6.947 3.911 ( 0.000 -0.064 0.000) 0.064 3.982 ( 0.000 -2.590 0.000) 2.590 3.984 ( 0.000 1.909 0.000) 1.909 4.024 ( 0.000 -0.645 0.000) 0.645 4.103 ( 0.000 0.208 0.000) 0.208 4.129 ( 0.000 -3.384 0.000) 3.384 4.145 ( 0.000 0.551 0.000) 0.551 4.181 ( 0.000 -0.423 0.000) 0.423 4.291 ( 0.000 -5.468 0.000) 5.468 4.404 ( 0.000 -16.229 0.000) 16.229 4.457 ( 0.000 9.885 0.000) 9.885 4.639 ( 0.000 3.119 0.000) 3.119 4.648 ( 0.000 9.783 0.000) 9.783 4.724 ( 0.000 -0.016 0.000) 0.016 4.807 ( 0.000 5.470 0.000) 5.470 4.836 ( 0.000 -0.444 0.000) 0.444 4.904 ( 0.000 -0.558 0.000) 0.558 4.937 ( 0.000 11.025 0.000) 11.025 4.940 ( 0.000 -1.310 0.000) 1.310 5.100 ( 0.000 6.120 0.000) 6.120 5.140 ( 0.000 -3.244 0.000) 3.244 5.199 ( 0.000 1.986 0.000) 1.986 5.320 ( 0.000 -2.859 0.000) 2.859 5.470 ( 0.000 -4.989 0.000) 4.989 5.516 ( 0.000 2.386 0.000) 2.386 5.681 ( 0.000 -11.822 0.000) 11.822 5.851 ( 0.000 1.991 0.000) 1.991 5.945 ( 0.000 -2.229 0.000) 2.229 6.067 ( 0.000 5.078 0.000) 5.078 6.394 ( 0.000 19.939 0.000) 19.939 6.412 ( 0.000 -11.324 0.000) 11.324 7.075 ( 0.000 -12.468 0.000) 12.468 11.519 ( 0.000 2.720 0.000) 2.720 11.625 ( 0.000 -1.417 0.000) 1.417 11.633 ( 0.000 -1.805 0.000) 1.805 11.638 ( 0.000 -2.552 0.000) 2.552 11.730 ( 0.000 5.770 0.000) 5.770 11.996 ( 0.000 -5.967 0.000) 5.967 12.017 ( 0.000 4.298 0.000) 4.298 12.026 ( 0.000 3.781 0.000) 3.781 15.891 ( 0.000 0.472 0.000) 0.472 15.906 ( 0.000 -0.119 0.000) 0.119 15.914 ( 0.000 0.063 0.000) 0.063 15.926 ( 0.000 -1.574 0.000) 1.574 16.013 ( 0.000 0.123 0.000) 0.123 16.058 ( 0.000 -0.548 0.000) 0.548 16.092 ( 0.000 0.652 0.000) 0.652 16.131 ( 0.000 -1.023 0.000) 1.023 16.199 ( 0.000 1.581 0.000) 1.581 16.287 ( 0.000 -2.141 0.000) 2.141 16.300 ( 0.000 0.513 0.000) 0.513 16.320 ( 0.000 -0.411 0.000) 0.411 26.474 ( 0.000 0.191 0.000) 0.191 26.483 ( 0.000 -0.194 0.000) 0.194 26.491 ( 0.000 0.227 0.000) 0.227 26.502 ( 0.000 -0.257 0.000) 0.257 28.731 ( 0.000 1.177 0.000) 1.177 28.790 ( 0.000 -1.373 0.000) 1.373 29.107 ( 0.000 -1.883 0.000) 1.883 29.141 ( 0.000 2.564 0.000) 2.564 29.271 ( 0.000 -9.789 0.000) 9.789 29.306 ( 0.000 1.963 0.000) 1.963 29.372 ( 0.000 -7.047 0.000) 7.047 29.466 ( 0.000 -5.625 0.000) 5.625 30.548 ( 0.000 9.996 0.000) 9.996 30.660 ( 0.000 9.151 0.000) 9.151 30.664 ( 0.000 3.750 0.000) 3.750 30.977 ( 0.000 -5.365 0.000) 5.365======================= Grid point 11 (8/60) =======================q-point: ( 0.25 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( 1.524 26.227 0.000) 26.272 1.276 ( 8.093 20.667 0.000) 22.195 1.777 ( -14.384 -2.612 0.000) 14.619 1.892 ( 0.648 4.128 0.000) 4.179 1.921 ( -14.685 0.175 0.000) 14.686 2.174 ( -6.189 11.577 0.000) 13.128 2.191 ( 3.383 -12.236 0.000) 12.695 2.277 ( 12.713 11.760 0.000) 17.318 2.471 ( 4.650 0.687 0.000) 4.701 2.542 ( 0.903 1.587 0.000) 1.825 2.648 ( 0.991 6.610 0.000) 6.684 2.741 ( 2.395 -7.228 0.000) 7.614 2.801 ( -6.951 -1.061 0.000) 7.031 2.861 ( -2.585 -1.063 0.000) 2.795 2.959 ( -0.741 -1.126 0.000) 1.348 3.024 ( -1.083 -4.200 0.000) 4.337 3.046 ( -0.317 -2.392 0.000) 2.413 3.153 ( 5.748 4.909 0.000) 7.559 3.154 ( 7.203 -1.095 0.000) 7.286 3.272 ( 9.679 -0.364 0.000) 9.686 3.395 ( 2.200 -4.275 0.000) 4.808 3.493 ( 13.981 -5.190 0.000) 14.913 3.543 ( -0.349 6.532 0.000) 6.541 3.633 ( -2.668 2.109 0.000) 3.401 3.702 ( -4.755 2.034 0.000) 5.172 3.800 ( -6.573 4.450 0.000) 7.937 3.870 ( 0.147 0.996 0.000) 1.007 3.900 ( -0.511 -1.545 0.000) 1.627 3.926 ( -5.853 5.967 0.000) 8.359 3.980 ( -0.333 2.207 0.000) 2.232 4.031 ( 4.890 -3.712 0.000) 6.140 4.035 ( 3.765 -3.337 0.000) 5.031 4.046 ( 0.180 -1.494 0.000) 1.505 4.167 ( 3.231 2.624 0.000) 4.162 4.201 ( 1.850 -3.235 0.000) 3.727 4.238 ( 2.225 -3.002 0.000) 3.736 4.262 ( -1.887 -2.706 0.000) 3.299 4.313 ( -8.726 2.676 0.000) 9.127 4.425 ( 4.757 -12.984 0.000) 13.828 4.603 ( 0.939 5.417 0.000) 5.497 4.605 ( -1.411 5.507 0.000) 5.685 4.748 ( -3.836 -0.073 0.000) 3.837 4.785 ( 3.847 -2.411 0.000) 4.540 4.824 ( -5.423 -3.104 0.000) 6.248 4.825 ( -1.825 4.697 0.000) 5.039 4.915 ( -0.078 -1.320 0.000) 1.323 4.944 ( -5.354 -0.346 0.000) 5.365 5.090 ( -11.153 -3.921 0.000) 11.822 5.124 ( 3.094 3.722 0.000) 4.840 5.201 ( -3.675 0.583 0.000) 3.721 5.298 ( 1.430 -3.113 0.000) 3.426 5.336 ( -2.615 -4.980 0.000) 5.624 5.598 ( 7.470 4.554 0.000) 8.749 5.776 ( 2.859 -1.752 0.000) 3.353 5.801 ( -2.799 2.800 0.000) 3.959 5.878 ( -5.030 0.083 0.000) 5.031 6.113 ( 4.789 7.505 0.000) 8.903 6.377 ( -2.399 16.877 0.000) 17.047 6.574 ( 12.000 -13.354 0.000) 17.954 7.022 ( -5.147 -13.524 0.000) 14.471 11.576 ( 4.532 2.651 0.000) 5.250 11.613 ( 0.148 0.100 0.000) 0.178 11.653 ( -0.262 0.502 0.000) 0.567 11.671 ( 1.761 -2.450 0.000) 3.017 11.786 ( 5.342 2.380 0.000) 5.848 11.975 ( -1.650 -4.941 0.000) 5.209 11.985 ( -2.429 3.598 0.000) 4.341 11.999 ( -2.521 3.399 0.000) 4.232 15.826 ( -3.164 0.961 0.000) 3.307 15.867 ( -3.499 -1.194 0.000) 3.697 15.882 ( -2.128 -0.994 0.000) 2.348 15.884 ( -1.878 -1.164 0.000) 2.209 16.063 ( 2.925 0.220 0.000) 2.933 16.092 ( 2.321 -0.457 0.000) 2.365 16.121 ( 1.427 0.566 0.000) 1.535 16.140 ( 0.264 0.094 0.000) 0.281 16.206 ( 0.672 1.617 0.000) 1.751 16.278 ( -1.147 0.025 0.000) 1.147 16.284 ( -0.258 -1.851 0.000) 1.869 16.291 ( -2.305 -0.341 0.000) 2.330 26.476 ( 0.143 0.235 0.000) 0.275 26.487 ( 0.301 -0.247 0.000) 0.390 26.487 ( -0.273 0.264 0.000) 0.380 26.500 ( -0.172 -0.292 0.000) 0.339 28.833 ( 6.132 -1.496 0.000) 6.312 28.857 ( 6.883 -2.382 0.000) 7.283 29.058 ( -3.527 -1.088 0.000) 3.691 29.165 ( -0.330 -2.063 0.000) 2.089 29.199 ( -3.248 -3.380 0.000) 4.688 29.281 ( -2.027 2.443 0.000) 3.174 29.421 ( 2.634 -8.633 0.000) 9.026 29.469 ( 0.092 -6.266 0.000) 6.267 30.538 ( -0.129 10.581 0.000) 10.582 30.625 ( -2.781 9.560 0.000) 9.956 30.708 ( 3.366 2.625 0.000) 4.268 30.910 ( -4.967 -2.453 0.000) 5.540======================= Grid point 12 (9/60) =======================q-point: (-0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( -13.327 12.224 0.000) 18.084 1.387 ( 13.327 12.224 0.000) 18.084 1.568 ( -13.319 11.109 0.000) 17.344 1.568 ( 13.319 11.109 0.000) 17.344 1.972 ( -6.892 -0.005 0.000) 6.892 1.972 ( 6.892 -0.005 0.000) 6.892 2.300 ( -5.624 -15.578 0.000) 16.562 2.300 ( 5.624 -15.578 0.000) 16.562 2.618 ( -0.102 -0.691 0.000) 0.698 2.618 ( 0.102 -0.691 0.000) 0.698 2.660 ( -0.712 4.312 0.000) 4.370 2.660 ( 0.712 4.312 0.000) 4.370 2.925 ( -0.093 3.520 0.000) 3.521 2.925 ( 0.093 3.520 0.000) 3.521 2.936 ( -4.696 2.663 0.000) 5.399 2.936 ( 4.696 2.663 0.000) 5.399 3.130 ( -14.168 5.858 0.000) 15.331 3.130 ( 14.168 5.858 0.000) 15.331 3.327 ( -4.080 -1.505 0.000) 4.349 3.327 ( 4.080 -1.505 0.000) 4.349 3.459 ( -6.824 6.749 0.000) 9.598 3.459 ( 6.824 6.749 0.000) 9.598 3.579 ( -2.353 5.656 0.000) 6.126 3.579 ( 2.353 5.656 0.000) 6.126 3.644 ( -2.095 -1.868 0.000) 2.807 3.644 ( 2.095 -1.868 0.000) 2.807 3.869 ( -0.112 4.179 0.000) 4.181 3.869 ( 0.112 4.179 0.000) 4.181 3.952 ( -2.955 1.948 0.000) 3.540 3.952 ( 2.955 1.948 0.000) 3.540 4.093 ( -1.257 -3.635 0.000) 3.846 4.093 ( 1.257 -3.635 0.000) 3.846 4.182 ( -5.639 -4.957 0.000) 7.508 4.182 ( 5.639 -4.957 0.000) 7.508 4.199 ( -1.142 -3.510 0.000) 3.691 4.199 ( 1.142 -3.510 0.000) 3.691 4.259 ( -0.468 -0.431 0.000) 0.636 4.259 ( 0.468 -0.431 0.000) 0.636 4.546 ( -3.365 -8.327 0.000) 8.981 4.546 ( 3.365 -8.327 0.000) 8.981 4.695 ( -11.977 1.088 0.000) 12.026 4.695 ( 11.977 1.088 0.000) 12.026 4.769 ( -0.274 0.430 0.000) 0.510 4.769 ( 0.274 0.430 0.000) 0.510 4.797 ( -6.625 -0.647 0.000) 6.656 4.797 ( 6.625 -0.647 0.000) 6.656 4.915 ( -4.038 -2.237 0.000) 4.616 4.915 ( 4.038 -2.237 0.000) 4.616 5.153 ( -0.092 2.358 0.000) 2.360 5.153 ( 0.092 2.358 0.000) 2.360 5.325 ( -0.265 -4.148 0.000) 4.156 5.325 ( 0.265 -4.148 0.000) 4.156 5.735 ( -4.662 4.359 0.000) 6.383 5.735 ( 4.662 4.359 0.000) 6.383 5.800 ( -0.671 0.974 0.000) 1.183 5.800 ( 0.671 0.974 0.000) 1.183 6.265 ( -7.264 12.535 0.000) 14.488 6.265 ( 7.264 12.535 0.000) 14.488 6.842 ( -10.822 -14.188 0.000) 17.844 6.842 ( 10.822 -14.188 0.000) 17.844 11.631 ( -1.210 1.430 0.000) 1.873 11.631 ( 1.210 1.430 0.000) 1.873 11.671 ( -2.570 0.271 0.000) 2.585 11.671 ( 2.570 0.271 0.000) 2.585 11.912 ( -5.039 2.284 0.000) 5.532 11.912 ( 5.039 2.284 0.000) 5.532 11.949 ( -0.169 -0.785 0.000) 0.803 11.949 ( 0.169 -0.785 0.000) 0.803 15.805 ( -1.368 -0.562 0.000) 1.479 15.805 ( 1.368 -0.562 0.000) 1.479 15.856 ( -0.121 -1.576 0.000) 1.580 15.856 ( 0.121 -1.576 0.000) 1.580 16.115 ( -1.629 1.014 0.000) 1.919 16.115 ( 1.629 1.014 0.000) 1.919 16.137 ( -1.109 -0.327 0.000) 1.156 16.137 ( 1.109 -0.327 0.000) 1.156 16.233 ( -2.014 0.792 0.000) 2.164 16.233 ( 2.014 0.792 0.000) 2.164 16.276 ( -0.400 -1.230 0.000) 1.294 16.276 ( 0.400 -1.230 0.000) 1.294 26.481 ( -0.291 0.286 0.000) 0.408 26.481 ( 0.291 0.286 0.000) 0.408 26.494 ( -0.338 -0.308 0.000) 0.457 26.494 ( 0.338 -0.308 0.000) 0.457 28.958 ( -5.357 -1.088 0.000) 5.467 28.958 ( 5.357 -1.088 0.000) 5.467 29.038 ( -7.732 -6.185 0.000) 9.901 29.038 ( 7.732 -6.185 0.000) 9.901 29.228 ( -2.449 2.978 0.000) 3.856 29.228 ( 2.449 2.978 0.000) 3.856 29.462 ( -0.965 -7.929 0.000) 7.987 29.462 ( 0.965 -7.929 0.000) 7.987 30.562 ( -2.312 10.495 0.000) 10.747 30.562 ( 2.312 10.495 0.000) 10.747 30.798 ( -4.678 0.591 0.000) 4.715 30.798 ( 4.678 0.591 0.000) 4.715======================= Grid point 15 (10/60) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( 0.000 -18.065 0.000) 18.065 1.644 ( 0.000 18.065 0.000) 18.065 1.751 ( 0.000 -21.420 0.000) 21.420 1.751 ( 0.000 21.420 0.000) 21.420 2.022 ( 0.000 -6.706 0.000) 6.706 2.022 ( 0.000 6.706 0.000) 6.706 2.480 ( 0.000 -1.802 0.000) 1.802 2.480 ( 0.000 1.802 0.000) 1.802 2.592 ( 0.000 -1.837 0.000) 1.837 2.592 ( 0.000 1.837 0.000) 1.837 2.717 ( 0.000 -1.303 0.000) 1.303 2.717 ( 0.000 1.303 0.000) 1.303 2.774 ( 0.000 -8.088 0.000) 8.088 2.774 ( 0.000 8.088 0.000) 8.088 2.885 ( 0.000 -4.887 0.000) 4.887 2.885 ( 0.000 4.887 0.000) 4.887 3.018 ( 0.000 -1.790 0.000) 1.790 3.018 ( 0.000 1.790 0.000) 1.790 3.111 ( 0.000 -0.908 0.000) 0.908 3.111 ( 0.000 0.908 0.000) 0.908 3.241 ( 0.000 -4.984 0.000) 4.984 3.241 ( 0.000 4.984 0.000) 4.984 3.653 ( 0.000 -3.901 0.000) 3.901 3.653 ( 0.000 3.901 0.000) 3.901 3.795 ( 0.000 -3.464 0.000) 3.464 3.795 ( 0.000 3.464 0.000) 3.464 3.878 ( 0.000 -2.858 0.000) 2.858 3.878 ( 0.000 2.858 0.000) 2.858 3.926 ( 0.000 -2.873 0.000) 2.873 3.926 ( 0.000 2.873 0.000) 2.873 4.018 ( 0.000 -0.888 0.000) 0.888 4.018 ( 0.000 0.888 0.000) 0.888 4.094 ( 0.000 -0.551 0.000) 0.551 4.094 ( 0.000 0.551 0.000) 0.551 4.179 ( 0.000 -3.991 0.000) 3.991 4.179 ( 0.000 3.991 0.000) 3.991 4.213 ( 0.000 -4.358 0.000) 4.358 4.213 ( 0.000 4.358 0.000) 4.358 4.665 ( 0.000 -7.895 0.000) 7.895 4.665 ( 0.000 7.895 0.000) 7.895 4.700 ( 0.000 -2.317 0.000) 2.317 4.700 ( 0.000 2.317 0.000) 2.317 4.848 ( 0.000 -2.267 0.000) 2.267 4.848 ( 0.000 2.267 0.000) 2.267 4.897 ( 0.000 -3.132 0.000) 3.132 4.897 ( 0.000 3.132 0.000) 3.132 5.114 ( 0.000 -2.127 0.000) 2.127 5.114 ( 0.000 2.127 0.000) 2.127 5.255 ( 0.000 -3.242 0.000) 3.242 5.255 ( 0.000 3.242 0.000) 3.242 5.290 ( 0.000 -12.204 0.000) 12.204 5.290 ( 0.000 12.204 0.000) 12.204 5.533 ( 0.000 -1.492 0.000) 1.492 5.533 ( 0.000 1.492 0.000) 1.492 5.896 ( 0.000 -2.370 0.000) 2.370 5.896 ( 0.000 2.370 0.000) 2.370 6.201 ( 0.000 -8.440 0.000) 8.440 6.201 ( 0.000 8.440 0.000) 8.440 6.772 ( 0.000 -16.780 0.000) 16.780 6.772 ( 0.000 16.780 0.000) 16.780 11.580 ( 0.000 -3.036 0.000) 3.036 11.580 ( 0.000 3.036 0.000) 3.036 11.612 ( 0.000 -0.177 0.000) 0.177 11.612 ( 0.000 0.177 0.000) 0.177 11.862 ( 0.000 -6.780 0.000) 6.780 11.862 ( 0.000 6.780 0.000) 6.780 12.066 ( 0.000 -0.187 0.000) 0.187 12.066 ( 0.000 0.187 0.000) 0.187 15.900 ( 0.000 -0.395 0.000) 0.395 15.900 ( 0.000 0.395 0.000) 0.395 15.910 ( 0.000 -0.012 0.000) 0.012 15.910 ( 0.000 0.012 0.000) 0.012 16.035 ( 0.000 -1.479 0.000) 1.479 16.035 ( 0.000 1.479 0.000) 1.479 16.110 ( 0.000 -1.022 0.000) 1.022 16.110 ( 0.000 1.022 0.000) 1.022 16.240 ( 0.000 -2.298 0.000) 2.298 16.240 ( 0.000 2.298 0.000) 2.298 16.311 ( 0.000 -0.526 0.000) 0.526 16.311 ( 0.000 0.526 0.000) 0.526 26.479 ( 0.000 -0.227 0.000) 0.227 26.479 ( 0.000 0.227 0.000) 0.227 26.496 ( 0.000 -0.291 0.000) 0.291 26.496 ( 0.000 0.291 0.000) 0.291 28.759 ( 0.000 -1.502 0.000) 1.502 28.759 ( 0.000 1.502 0.000) 1.502 29.115 ( 0.000 -3.010 0.000) 3.010 29.115 ( 0.000 3.010 0.000) 3.010 29.244 ( 0.000 -5.027 0.000) 5.027 29.244 ( 0.000 5.027 0.000) 5.027 29.366 ( 0.000 -3.963 0.000) 3.963 29.366 ( 0.000 3.963 0.000) 3.963 30.679 ( 0.000 -2.688 0.000) 2.688 30.679 ( 0.000 2.688 0.000) 2.688 30.839 ( 0.000 -7.928 0.000) 7.928 30.839 ( 0.000 7.928 0.000) 7.928======================= Grid point 17 (11/60) =======================q-point: ( 0.25 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.649 ( 0.574 -13.276 0.000) 13.288 1.649 ( 0.574 13.276 0.000) 13.288 1.696 ( -3.111 -21.084 0.000) 21.313 1.696 ( -3.111 21.084 0.000) 21.313 1.971 ( -3.097 -6.111 0.000) 6.851 1.971 ( -3.097 6.111 0.000) 6.851 2.266 ( -15.802 -6.067 0.000) 16.927 2.266 ( -15.802 6.067 0.000) 16.927 2.611 ( 2.050 -4.803 0.000) 5.222 2.611 ( 2.050 4.803 0.000) 5.222 2.664 ( 2.698 -9.844 0.000) 10.207 2.664 ( 2.698 9.844 0.000) 10.207 2.905 ( 1.060 -5.183 0.000) 5.290 2.905 ( 1.060 5.183 0.000) 5.290 2.986 ( -1.762 -1.647 0.000) 2.412 2.986 ( -1.762 1.647 0.000) 2.412 3.019 ( 10.973 -14.260 0.000) 17.993 3.019 ( 10.973 14.260 0.000) 17.993 3.282 ( 3.098 -6.305 0.000) 7.026 3.282 ( 3.098 6.305 0.000) 7.026 3.331 ( 16.941 -7.228 0.000) 18.419 3.331 ( 16.941 7.228 0.000) 18.419 3.632 ( -1.952 -2.449 0.000) 3.132 3.632 ( -1.952 2.449 0.000) 3.132 3.772 ( -2.378 -5.403 0.000) 5.903 3.772 ( -2.378 5.403 0.000) 5.903 3.923 ( 0.584 -2.982 0.000) 3.039 3.923 ( 0.584 2.982 0.000) 3.039 3.926 ( 2.035 -5.491 0.000) 5.856 3.926 ( 2.035 5.491 0.000) 5.856 4.007 ( -1.439 -1.002 0.000) 1.754 4.007 ( -1.439 1.002 0.000) 1.754 4.116 ( -0.161 -4.520 0.000) 4.522 4.116 ( -0.161 4.520 0.000) 4.522 4.188 ( 1.362 -1.804 0.000) 2.260 4.188 ( 1.362 1.804 0.000) 2.260 4.257 ( 5.223 -4.792 0.000) 7.089 4.257 ( 5.223 4.792 0.000) 7.089 4.528 ( -13.416 -11.904 0.000) 17.936 4.528 ( -13.416 11.904 0.000) 17.936 4.714 ( 1.087 -4.498 0.000) 4.627 4.714 ( 1.087 4.498 0.000) 4.627 4.777 ( -2.877 -1.996 0.000) 3.502 4.777 ( -2.877 1.996 0.000) 3.502 4.891 ( -1.540 -1.738 0.000) 2.323 4.891 ( -1.540 1.738 0.000) 2.323 4.972 ( -9.218 -5.391 0.000) 10.679 4.972 ( -9.218 5.391 0.000) 10.679 5.229 ( 0.223 -5.417 0.000) 5.421 5.229 ( 0.223 5.417 0.000) 5.421 5.236 ( -0.893 -2.669 0.000) 2.814 5.236 ( -0.893 2.669 0.000) 2.814 5.712 ( 6.878 -4.918 0.000) 8.455 5.712 ( 6.878 4.918 0.000) 8.455 5.851 ( -3.060 -2.109 0.000) 3.716 5.851 ( -3.060 2.109 0.000) 3.716 6.308 ( 9.260 -11.605 0.000) 14.847 6.308 ( 9.260 11.605 0.000) 14.847 6.719 ( -5.077 -15.930 0.000) 16.720 6.719 ( -5.077 15.930 0.000) 16.720 11.630 ( 1.437 -1.464 0.000) 2.051 11.630 ( 1.437 1.464 0.000) 2.051 11.630 ( 3.245 -2.296 0.000) 3.975 11.630 ( 3.245 2.296 0.000) 3.975 11.868 ( 1.157 -5.073 0.000) 5.204 11.868 ( 1.157 5.073 0.000) 5.204 12.030 ( -3.146 -0.474 0.000) 3.181 12.030 ( -3.146 0.474 0.000) 3.181 15.855 ( -2.848 -1.563 0.000) 3.249 15.855 ( -2.848 1.563 0.000) 3.249 15.862 ( -2.945 -0.655 0.000) 3.017 15.862 ( -2.945 0.655 0.000) 3.017 16.077 ( 2.694 -0.903 0.000) 2.841 16.077 ( 2.694 0.903 0.000) 2.841 16.133 ( 1.177 -0.608 0.000) 1.325 16.133 ( 1.177 0.608 0.000) 1.325 16.244 ( 0.294 -2.001 0.000) 2.022 16.244 ( 0.294 2.001 0.000) 2.022 16.283 ( -1.945 -0.374 0.000) 1.981 16.283 ( -1.945 0.374 0.000) 1.981 26.481 ( 0.219 -0.287 0.000) 0.361 26.481 ( 0.219 0.287 0.000) 0.361 26.494 ( -0.221 -0.334 0.000) 0.401 26.494 ( -0.221 0.334 0.000) 0.401 28.827 ( 5.421 -0.745 0.000) 5.472 28.827 ( 5.421 0.745 0.000) 5.472 29.069 ( -3.721 -2.730 0.000) 4.615 29.069 ( -3.721 2.730 0.000) 4.615 29.271 ( 2.001 -5.837 0.000) 6.171 29.271 ( 2.001 5.837 0.000) 6.171 29.354 ( -1.110 -4.675 0.000) 4.805 29.354 ( -1.110 4.675 0.000) 4.805 30.693 ( 1.300 -4.235 0.000) 4.430 30.693 ( 1.300 4.235 0.000) 4.430 30.804 ( -2.810 -7.357 0.000) 7.876 30.804 ( -2.810 7.357 0.000) 7.876======================= Grid point 19 (12/60) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.661 ( -0.374 -8.868 0.000) 8.876 1.661 ( 0.374 -8.868 0.000) 8.876 1.661 ( -0.374 8.868 0.000) 8.876 1.661 ( 0.374 8.868 0.000) 8.876 1.992 ( -6.970 -10.237 0.000) 12.384 1.992 ( 6.970 -10.237 0.000) 12.384 1.992 ( -6.970 10.237 0.000) 12.384 1.992 ( 6.970 10.237 0.000) 12.384 2.667 ( -2.026 -3.555 0.000) 4.092 2.667 ( 2.026 -3.555 0.000) 4.092 2.667 ( -2.026 3.555 0.000) 4.092 2.667 ( 2.026 3.555 0.000) 4.092 2.932 ( -1.913 -3.369 0.000) 3.874 2.932 ( 1.913 -3.369 0.000) 3.874 2.932 ( -1.913 3.369 0.000) 3.874 2.932 ( 1.913 3.369 0.000) 3.874 3.271 ( -7.248 -4.340 0.000) 8.448 3.271 ( 7.248 -4.340 0.000) 8.448 3.271 ( -7.248 4.340 0.000) 8.448 3.271 ( 7.248 4.340 0.000) 8.448 3.593 ( -1.750 -3.458 0.000) 3.876 3.593 ( 1.750 -3.458 0.000) 3.876 3.593 ( -1.750 3.458 0.000) 3.876 3.593 ( 1.750 3.458 0.000) 3.876 3.832 ( -10.934 -15.755 0.000) 19.177 3.832 ( 10.934 -15.755 0.000) 19.177 3.832 ( -10.934 15.755 0.000) 19.177 3.832 ( 10.934 15.755 0.000) 19.177 3.963 ( -2.522 -5.898 0.000) 6.415 3.963 ( 2.522 -5.898 0.000) 6.415 3.963 ( -2.522 5.898 0.000) 6.415 3.963 ( 2.522 5.898 0.000) 6.415 4.129 ( -3.834 -2.687 0.000) 4.682 4.129 ( 3.834 -2.687 0.000) 4.682 4.129 ( -3.834 2.687 0.000) 4.682 4.129 ( 3.834 2.687 0.000) 4.682 4.353 ( -1.678 -8.008 0.000) 8.182 4.353 ( 1.678 -8.008 0.000) 8.182 4.353 ( -1.678 8.008 0.000) 8.182 4.353 ( 1.678 8.008 0.000) 8.182 4.741 ( -1.215 -1.927 0.000) 2.278 4.741 ( 1.215 -1.927 0.000) 2.278 4.741 ( -1.215 1.927 0.000) 2.278 4.741 ( 1.215 1.927 0.000) 2.278 4.849 ( -0.610 -4.060 0.000) 4.106 4.849 ( 0.610 -4.060 0.000) 4.106 4.849 ( -0.610 4.060 0.000) 4.106 4.849 ( 0.610 4.060 0.000) 4.106 5.234 ( -0.226 -4.673 0.000) 4.678 5.234 ( 0.226 -4.673 0.000) 4.678 5.234 ( -0.226 4.673 0.000) 4.678 5.234 ( 0.226 4.673 0.000) 4.678 5.795 ( -2.139 -1.518 0.000) 2.623 5.795 ( 2.139 -1.518 0.000) 2.623 5.795 ( -2.139 1.518 0.000) 2.623 5.795 ( 2.139 1.518 0.000) 2.623 6.544 ( -10.293 -14.375 0.000) 17.680 6.544 ( 10.293 -14.375 0.000) 17.680 6.544 ( -10.293 14.375 0.000) 17.680 6.544 ( 10.293 14.375 0.000) 17.680 11.660 ( -0.691 -1.188 0.000) 1.375 11.660 ( 0.691 -1.188 0.000) 1.375 11.660 ( -0.691 1.188 0.000) 1.375 11.660 ( 0.691 1.188 0.000) 1.375 11.937 ( -4.610 -0.535 0.000) 4.641 11.937 ( -4.610 0.535 0.000) 4.641 11.937 ( 4.610 -0.535 0.000) 4.641 11.937 ( 4.610 0.535 0.000) 4.641 15.821 ( -0.252 -1.634 0.000) 1.654 15.821 ( 0.252 -1.634 0.000) 1.654 15.821 ( -0.252 1.634 0.000) 1.654 15.821 ( 0.252 1.634 0.000) 1.654 16.130 ( -1.652 -0.517 0.000) 1.731 16.130 ( -1.652 0.517 0.000) 1.731 16.130 ( 1.652 -0.517 0.000) 1.731 16.130 ( 1.652 0.517 0.000) 1.731 16.252 ( -0.631 -1.049 0.000) 1.224 16.252 ( 0.631 -1.049 0.000) 1.224 16.252 ( -0.631 1.049 0.000) 1.224 16.252 ( 0.631 1.049 0.000) 1.224 26.487 ( -0.313 -0.355 0.000) 0.473 26.487 ( 0.313 -0.355 0.000) 0.473 26.487 ( -0.313 0.355 0.000) 0.473 26.487 ( 0.313 0.355 0.000) 0.473 28.961 ( -5.888 -1.678 0.000) 6.123 28.961 ( -5.888 1.678 0.000) 6.123 28.961 ( 5.888 -1.678 0.000) 6.123 28.961 ( 5.888 1.678 0.000) 6.123 29.318 ( -2.005 -5.781 0.000) 6.118 29.318 ( 2.005 -5.781 0.000) 6.118 29.318 ( -2.005 5.781 0.000) 6.118 29.318 ( 2.005 5.781 0.000) 6.118 30.738 ( -2.717 -6.149 0.000) 6.723 30.738 ( 2.717 -6.149 0.000) 6.723 30.738 ( -2.717 6.149 0.000) 6.723 30.738 ( 2.717 6.149 0.000) 6.723======================= Grid point 35 (13/60) =======================q-point: ( 0.00 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.590 ( 0.000 0.000 27.937) 27.937 0.632 ( 0.000 0.000 29.631) 29.631 1.034 ( 0.000 0.000 48.512) 48.512 1.668 ( 0.000 0.000 1.058) 1.058 1.822 ( 0.000 0.000 -11.988) 11.988 2.140 ( 0.000 0.000 -10.650) 10.650 2.173 ( 0.000 0.000 -6.625) 6.625 2.377 ( 0.000 0.000 4.905) 4.905 2.382 ( 0.000 0.000 5.435) 5.435 2.525 ( 0.000 0.000 -12.805) 12.805 2.741 ( 0.000 0.000 -10.063) 10.063 2.783 ( 0.000 0.000 -13.280) 13.280 2.835 ( 0.000 0.000 -4.079) 4.079 2.843 ( 0.000 0.000 3.824) 3.824 2.870 ( 0.000 0.000 12.511) 12.511 3.015 ( 0.000 0.000 -3.746) 3.746 3.090 ( 0.000 0.000 2.952) 2.952 3.199 ( 0.000 0.000 -6.297) 6.297 3.242 ( 0.000 0.000 -2.118) 2.118 3.342 ( 0.000 0.000 -9.716) 9.716 3.346 ( 0.000 0.000 2.448) 2.448 3.352 ( 0.000 0.000 11.459) 11.459 3.583 ( 0.000 0.000 2.304) 2.304 3.596 ( 0.000 0.000 0.121) 0.121 3.607 ( 0.000 0.000 -3.583) 3.583 3.751 ( 0.000 0.000 1.884) 1.884 3.778 ( 0.000 0.000 1.529) 1.529 3.900 ( 0.000 0.000 -4.890) 4.890 3.991 ( 0.000 0.000 -3.403) 3.403 3.992 ( 0.000 0.000 -0.575) 0.575 4.053 ( 0.000 0.000 -6.710) 6.710 4.076 ( 0.000 0.000 0.156) 0.156 4.086 ( 0.000 0.000 1.951) 1.951 4.168 ( 0.000 0.000 -3.076) 3.076 4.213 ( 0.000 0.000 -3.910) 3.910 4.284 ( 0.000 0.000 16.621) 16.621 4.292 ( 0.000 0.000 -0.357) 0.357 4.403 ( 0.000 0.000 5.158) 5.158 4.449 ( 0.000 0.000 1.836) 1.836 4.458 ( 0.000 0.000 2.249) 2.249 4.469 ( 0.000 0.000 3.503) 3.503 4.664 ( 0.000 0.000 4.525) 4.525 4.703 ( 0.000 0.000 0.631) 0.631 4.902 ( 0.000 0.000 -2.230) 2.230 4.915 ( 0.000 0.000 1.589) 1.589 4.957 ( 0.000 0.000 -0.297) 0.297 5.035 ( 0.000 0.000 -7.477) 7.477 5.166 ( 0.000 0.000 3.227) 3.227 5.324 ( 0.000 0.000 1.762) 1.762 5.365 ( 0.000 0.000 -1.409) 1.409 5.412 ( 0.000 0.000 -2.461) 2.461 5.456 ( 0.000 0.000 0.731) 0.731 5.488 ( 0.000 0.000 4.317) 4.317 5.527 ( 0.000 0.000 -3.136) 3.136 5.583 ( 0.000 0.000 -1.666) 1.666 5.779 ( 0.000 0.000 -9.513) 9.513 5.884 ( 0.000 0.000 3.739) 3.739 6.151 ( 0.000 0.000 4.327) 4.327 6.634 ( 0.000 0.000 -6.289) 6.289 7.473 ( 0.000 0.000 -9.503) 9.503 11.464 ( 0.000 0.000 0.815) 0.815 11.615 ( 0.000 0.000 1.311) 1.311 11.664 ( 0.000 0.000 -3.416) 3.416 11.685 ( 0.000 0.000 -0.949) 0.949 11.709 ( 0.000 0.000 -3.272) 3.272 11.816 ( 0.000 0.000 -0.136) 0.136 11.861 ( 0.000 0.000 -0.545) 0.545 12.084 ( 0.000 0.000 -4.267) 4.267 15.877 ( 0.000 0.000 -0.048) 0.048 15.889 ( 0.000 0.000 -0.971) 0.971 15.926 ( 0.000 0.000 0.702) 0.702 15.994 ( 0.000 0.000 0.350) 0.350 16.062 ( 0.000 0.000 1.232) 1.232 16.077 ( 0.000 0.000 1.955) 1.955 16.080 ( 0.000 0.000 0.823) 0.823 16.105 ( 0.000 0.000 2.844) 2.844 16.109 ( 0.000 0.000 -1.016) 1.016 16.256 ( 0.000 0.000 4.542) 4.542 16.325 ( 0.000 0.000 -0.404) 0.404 16.490 ( 0.000 0.000 -0.259) 0.259 26.472 ( 0.000 0.000 0.213) 0.213 26.484 ( 0.000 0.000 -0.138) 0.138 26.495 ( 0.000 0.000 0.704) 0.704 26.514 ( 0.000 0.000 0.466) 0.466 28.721 ( 0.000 0.000 1.480) 1.480 28.841 ( 0.000 0.000 1.864) 1.864 29.231 ( 0.000 0.000 2.737) 2.737 29.266 ( 0.000 0.000 -1.131) 1.131 29.340 ( 0.000 0.000 0.231) 0.231 29.573 ( 0.000 0.000 -1.902) 1.902 29.621 ( 0.000 0.000 -1.628) 1.628 29.870 ( 0.000 0.000 -0.853) 0.853 29.876 ( 0.000 0.000 -0.432) 0.432 30.356 ( 0.000 0.000 -4.374) 4.374 30.488 ( 0.000 0.000 0.923) 0.923 30.854 ( 0.000 0.000 -3.063) 3.063======================= Grid point 36 (14/60) =======================q-point: ( 0.25 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.685 ( 18.281 0.000 13.158) 22.524 0.928 ( 22.047 0.000 18.509) 28.787 1.594 ( 34.273 0.000 33.673) 48.047 1.655 ( -0.919 0.000 0.087) 0.923 1.801 ( -21.116 0.000 -3.987) 21.489 1.804 ( -2.005 0.000 -9.681) 9.886 2.042 ( -17.461 0.000 -0.777) 17.478 2.300 ( 2.785 0.000 -1.826) 3.331 2.501 ( -2.460 0.000 -11.543) 11.802 2.589 ( 8.477 0.000 -2.538) 8.849 2.721 ( -2.045 0.000 -5.745) 6.098 2.764 ( 1.169 0.000 -5.147) 5.278 2.883 ( 3.678 0.000 -3.699) 5.217 2.885 ( -3.167 0.000 10.381) 10.853 2.891 ( 3.286 0.000 4.001) 5.178 3.044 ( -1.968 0.000 0.186) 1.976 3.098 ( 1.958 0.000 -7.109) 7.374 3.165 ( -7.463 0.000 0.776) 7.503 3.307 ( 4.532 0.000 2.531) 5.191 3.309 ( 0.888 0.000 -3.291) 3.409 3.378 ( 5.946 0.000 4.033) 7.184 3.453 ( 7.154 0.000 -4.224) 8.308 3.531 ( -2.918 0.000 -4.708) 5.539 3.534 ( -8.404 0.000 3.648) 9.162 3.671 ( 2.047 0.000 -0.515) 2.111 3.707 ( -1.859 0.000 -0.134) 1.863 3.714 ( -11.968 0.000 -1.020) 12.012 3.749 ( -1.332 0.000 1.459) 1.975 3.830 ( -7.199 0.000 4.717) 8.607 4.014 ( -4.332 0.000 -7.130) 8.343 4.056 ( 2.960 0.000 1.091) 3.154 4.088 ( 5.814 0.000 -0.551) 5.840 4.114 ( 0.439 0.000 -3.075) 3.106 4.198 ( 3.465 0.000 0.760) 3.547 4.202 ( 3.831 0.000 -2.798) 4.744 4.262 ( 0.282 0.000 -2.722) 2.736 4.267 ( -0.334 0.000 -2.272) 2.297 4.396 ( -0.786 0.000 1.516) 1.707 4.441 ( -0.269 0.000 3.762) 3.772 4.480 ( 0.616 0.000 4.102) 4.147 4.565 ( -0.679 0.000 0.565) 0.883 4.743 ( 4.557 0.000 2.358) 5.131 4.781 ( 4.866 0.000 -0.310) 4.876 4.787 ( -5.685 0.000 -1.789) 5.960 4.892 ( -1.630 0.000 0.987) 1.906 4.980 ( 1.094 0.000 0.109) 1.100 5.092 ( -0.311 0.000 -4.619) 4.630 5.166 ( 0.193 0.000 2.717) 2.724 5.174 ( -7.666 0.000 -2.009) 7.925 5.325 ( -6.106 0.000 -1.429) 6.271 5.372 ( 2.272 0.000 0.493) 2.325 5.450 ( -2.185 0.000 -3.182) 3.860 5.484 ( 1.616 0.000 0.383) 1.661 5.568 ( -1.421 0.000 -1.089) 1.790 5.693 ( 3.909 0.000 2.746) 4.777 5.834 ( 10.192 0.000 0.276) 10.195 5.921 ( -3.866 0.000 6.275) 7.370 6.166 ( 0.826 0.000 5.756) 5.815 6.798 ( 11.497 0.000 -10.086) 15.294 7.296 ( -10.851 0.000 -11.471) 15.790 11.517 ( 4.561 0.000 0.611) 4.601 11.583 ( -1.147 0.000 -0.286) 1.182 11.610 ( -2.261 0.000 -2.964) 3.728 11.711 ( 2.161 0.000 -0.907) 2.344 11.766 ( -4.205 0.000 -0.035) 4.206 11.803 ( 5.678 0.000 -3.687) 6.770 11.837 ( -2.146 0.000 -0.575) 2.222 12.043 ( -3.666 0.000 -4.296) 5.648 15.868 ( -0.136 0.000 -0.075) 0.156 15.896 ( -0.719 0.000 0.029) 0.720 15.928 ( 0.274 0.000 0.757) 0.805 15.965 ( -1.509 0.000 0.835) 1.725 16.071 ( 0.041 0.000 2.444) 2.444 16.090 ( -0.202 0.000 1.910) 1.921 16.120 ( 3.983 0.000 0.580) 4.025 16.123 ( 2.326 0.000 0.767) 2.449 16.170 ( 1.793 0.000 -0.074) 1.794 16.274 ( 2.081 0.000 2.122) 2.972 16.294 ( -2.702 0.000 -0.284) 2.717 16.421 ( -4.109 0.000 2.735) 4.936 26.473 ( 0.147 0.000 0.239) 0.280 26.488 ( -0.162 0.000 0.303) 0.344 26.492 ( 0.224 0.000 0.232) 0.322 26.512 ( -0.261 0.000 0.349) 0.436 28.892 ( 5.286 0.000 0.357) 5.298 28.923 ( 9.072 0.000 -4.984) 10.350 29.185 ( -3.279 0.000 1.332) 3.539 29.244 ( -2.839 0.000 -0.537) 2.889 29.359 ( 1.758 0.000 0.125) 1.763 29.508 ( -4.384 0.000 -1.027) 4.502 29.583 ( 0.379 0.000 2.104) 2.137 29.813 ( -5.389 0.000 -1.983) 5.742 29.976 ( 7.381 0.000 -1.557) 7.544 30.299 ( -4.919 0.000 -3.987) 6.332 30.535 ( 3.700 0.000 0.705) 3.767 30.739 ( -5.938 0.000 1.963) 6.254======================= Grid point 37 (15/60) =======================q-point: (-0.50 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.225 ( -26.677 0.000 -1.302) 26.708 1.225 ( 26.677 0.000 -1.302) 26.708 1.455 ( -22.308 0.000 8.967) 24.043 1.455 ( 22.308 0.000 8.967) 24.043 1.760 ( -0.377 0.000 -6.185) 6.197 1.760 ( 0.377 0.000 -6.185) 6.197 2.390 ( -30.158 0.000 22.213) 37.456 2.390 ( 30.158 0.000 22.213) 37.456 2.414 ( -5.304 0.000 -7.737) 9.381 2.414 ( 5.304 0.000 -7.737) 9.381 2.698 ( -0.524 0.000 -5.213) 5.239 2.698 ( 0.524 0.000 -5.213) 5.239 2.977 ( -9.428 0.000 -0.045) 9.428 2.977 ( 9.428 0.000 -0.045) 9.428 2.979 ( -3.555 0.000 2.925) 4.604 2.979 ( 3.555 0.000 2.925) 4.604 2.991 ( -5.113 0.000 -1.716) 5.393 2.991 ( 5.113 0.000 -1.716) 5.393 3.375 ( -3.124 0.000 3.614) 4.777 3.375 ( 3.124 0.000 3.614) 4.777 3.388 ( -5.700 0.000 -4.032) 6.982 3.388 ( 5.700 0.000 -4.032) 6.982 3.561 ( -6.643 0.000 4.540) 8.046 3.561 ( 6.643 0.000 4.540) 8.046 3.632 ( -5.400 0.000 -2.442) 5.927 3.632 ( 5.400 0.000 -2.442) 5.927 3.719 ( -1.622 0.000 -0.456) 1.685 3.719 ( 1.622 0.000 -0.456) 1.685 3.846 ( -8.820 0.000 -13.092) 15.786 3.846 ( 8.820 0.000 -13.092) 15.786 4.090 ( -1.454 0.000 -0.494) 1.535 4.090 ( 1.454 0.000 -0.494) 1.535 4.263 ( -2.873 0.000 -1.802) 3.391 4.263 ( 2.873 0.000 -1.802) 3.391 4.270 ( -1.718 0.000 -0.619) 1.826 4.270 ( 1.718 0.000 -0.619) 1.826 4.301 ( -6.125 0.000 -1.728) 6.364 4.301 ( 6.125 0.000 -1.728) 6.364 4.467 ( -1.940 0.000 3.985) 4.432 4.467 ( 1.940 0.000 3.985) 4.432 4.587 ( -5.746 0.000 -1.060) 5.843 4.587 ( 5.746 0.000 -1.060) 5.843 4.858 ( -1.870 0.000 -0.406) 1.913 4.858 ( 1.870 0.000 -0.406) 1.913 4.891 ( -5.649 0.000 0.431) 5.665 4.891 ( 5.649 0.000 0.431) 5.665 5.112 ( -1.906 0.000 -1.739) 2.580 5.112 ( 1.906 0.000 -1.739) 2.580 5.201 ( -3.760 0.000 1.002) 3.892 5.201 ( 3.760 0.000 1.002) 3.892 5.402 ( -1.389 0.000 -2.308) 2.694 5.402 ( 1.389 0.000 -2.308) 2.694 5.526 ( -2.077 0.000 -0.129) 2.081 5.526 ( 2.077 0.000 -0.129) 2.081 5.796 ( -5.370 0.000 4.045) 6.723 5.796 ( 5.370 0.000 4.045) 6.723 6.073 ( -8.668 0.000 10.993) 13.999 6.073 ( 8.668 0.000 10.993) 13.999 7.056 ( -11.128 0.000 -14.581) 18.342 7.056 ( 11.128 0.000 -14.581) 18.342 11.578 ( -0.622 0.000 -2.288) 2.371 11.578 ( 0.622 0.000 -2.288) 2.371 11.643 ( -6.158 0.000 0.191) 6.161 11.643 ( 6.158 0.000 0.191) 6.161 11.775 ( -3.133 0.000 -0.689) 3.208 11.775 ( 3.133 0.000 -0.689) 3.208 11.934 ( -5.787 0.000 -4.075) 7.078 11.934 ( 5.787 0.000 -4.075) 7.078 15.875 ( -0.788 0.000 0.299) 0.842 15.875 ( 0.788 0.000 0.299) 0.842 15.940 ( -0.798 0.000 0.896) 1.199 15.940 ( 0.798 0.000 0.896) 1.199 16.080 ( -0.600 0.000 2.325) 2.401 16.080 ( 0.600 0.000 2.325) 2.401 16.167 ( -1.419 0.000 1.424) 2.010 16.167 ( 1.419 0.000 1.424) 2.010 16.214 ( -4.232 0.000 0.053) 4.232 16.214 ( 4.232 0.000 0.053) 4.232 16.339 ( -3.370 0.000 1.760) 3.802 16.339 ( 3.370 0.000 1.760) 3.802 26.479 ( -0.391 0.000 0.386) 0.549 26.479 ( 0.391 0.000 0.386) 0.549 26.503 ( -0.516 0.000 0.134) 0.533 26.503 ( 0.516 0.000 0.134) 0.533 29.002 ( -3.273 0.000 0.245) 3.282 29.002 ( 3.273 0.000 0.245) 3.282 29.161 ( -3.083 0.000 -1.614) 3.479 29.161 ( 3.083 0.000 -1.614) 3.479 29.418 ( -3.478 0.000 -0.245) 3.487 29.418 ( 3.478 0.000 -0.245) 3.487 29.670 ( -6.325 0.000 -0.263) 6.330 29.670 ( 6.325 0.000 -0.263) 6.330 30.152 ( -7.829 0.000 -2.962) 8.371 30.152 ( 7.829 0.000 -2.962) 8.371 30.628 ( -4.482 0.000 1.013) 4.595 30.628 ( 4.482 0.000 1.013) 4.595======================= Grid point 40 (16/60) =======================q-point: ( 0.00 0.17 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.742 ( 0.000 16.867 18.093) 24.735 0.844 ( 0.000 20.565 16.939) 26.643 1.475 ( 0.000 30.511 32.188) 44.351 1.764 ( 0.000 8.712 3.012) 9.218 1.935 ( 0.000 8.925 -12.104) 15.039 2.091 ( 0.000 -2.321 -7.143) 7.511 2.257 ( 0.000 5.443 -4.461) 7.038 2.280 ( 0.000 -5.793 0.067) 5.794 2.349 ( 0.000 -2.729 5.122) 5.804 2.544 ( 0.000 -2.428 -8.820) 9.148 2.695 ( 0.000 -4.098 -6.376) 7.580 2.740 ( 0.000 -4.143 -3.082) 5.164 2.820 ( 0.000 -1.329 3.236) 3.499 2.848 ( 0.000 4.418 -6.311) 7.703 2.881 ( 0.000 2.800 -4.376) 5.195 3.053 ( 0.000 0.027 -1.283) 1.284 3.146 ( 0.000 -5.797 -3.770) 6.915 3.158 ( 0.000 -4.630 -2.070) 5.072 3.165 ( 0.000 4.802 2.782) 5.549 3.299 ( 0.000 -2.268 7.615) 7.945 3.322 ( 0.000 -4.360 -4.064) 5.960 3.369 ( 0.000 -2.968 6.780) 7.401 3.419 ( 0.000 0.169 -1.407) 1.417 3.579 ( 0.000 -0.188 -2.189) 2.197 3.739 ( 0.000 -0.838 -1.811) 1.995 3.768 ( 0.000 0.880 -0.689) 1.117 3.844 ( 0.000 6.187 -5.704) 8.415 3.886 ( 0.000 -4.546 -5.811) 7.377 3.956 ( 0.000 -5.346 -2.636) 5.961 3.983 ( 0.000 5.756 1.534) 5.956 4.049 ( 0.000 -0.890 1.548) 1.786 4.068 ( 0.000 1.234 -4.662) 4.823 4.099 ( 0.000 -1.343 3.014) 3.299 4.145 ( 0.000 -3.797 2.405) 4.494 4.184 ( 0.000 1.822 2.176) 2.838 4.278 ( 0.000 5.123 -2.906) 5.890 4.292 ( 0.000 -2.606 6.279) 6.799 4.429 ( 0.000 -3.184 4.044) 5.147 4.497 ( 0.000 10.397 9.039) 13.777 4.556 ( 0.000 7.713 -3.357) 8.411 4.580 ( 0.000 4.868 0.841) 4.940 4.720 ( 0.000 2.584 1.721) 3.105 4.757 ( 0.000 6.566 3.678) 7.526 4.852 ( 0.000 -15.725 -0.608) 15.737 4.902 ( 0.000 -2.538 0.529) 2.592 4.949 ( 0.000 1.217 -0.779) 1.445 4.982 ( 0.000 1.246 1.153) 1.697 5.065 ( 0.000 -7.509 1.058) 7.583 5.170 ( 0.000 0.327 1.134) 1.180 5.300 ( 0.000 -5.892 5.678) 8.182 5.355 ( 0.000 -1.912 -0.282) 1.932 5.458 ( 0.000 5.381 2.777) 6.055 5.511 ( 0.000 -3.401 -4.062) 5.298 5.718 ( 0.000 1.968 -10.055) 10.246 5.780 ( 0.000 8.921 -2.897) 9.380 5.788 ( 0.000 3.637 -8.981) 9.689 5.955 ( 0.000 9.837 -0.705) 9.862 6.105 ( 0.000 -4.231 4.340) 6.061 6.573 ( 0.000 -5.155 -4.253) 6.682 7.307 ( 0.000 -11.511 -3.588) 12.057 11.480 ( 0.000 1.495 0.626) 1.621 11.618 ( 0.000 1.725 -0.113) 1.729 11.639 ( 0.000 -1.820 -2.535) 3.120 11.667 ( 0.000 -2.608 -1.863) 3.205 11.672 ( 0.000 -1.301 -0.815) 1.535 11.884 ( 0.000 4.899 -1.882) 5.248 11.909 ( 0.000 3.845 -1.792) 4.242 12.050 ( 0.000 -3.314 -4.083) 5.258 15.881 ( 0.000 0.354 -0.008) 0.354 15.887 ( 0.000 0.132 -0.630) 0.643 15.907 ( 0.000 -0.030 0.360) 0.361 15.962 ( 0.000 -2.434 -0.241) 2.446 16.041 ( 0.000 -1.588 0.913) 1.832 16.077 ( 0.000 -0.179 1.639) 1.649 16.094 ( 0.000 0.528 0.932) 1.072 16.132 ( 0.000 1.813 -0.072) 1.815 16.205 ( 0.000 4.926 -0.175) 4.929 16.239 ( 0.000 -1.385 3.636) 3.891 16.332 ( 0.000 0.411 0.473) 0.626 16.453 ( 0.000 -2.904 2.884) 4.093 26.473 ( 0.000 0.114 0.218) 0.246 26.484 ( 0.000 -0.021 -0.074) 0.077 26.495 ( 0.000 0.060 0.663) 0.666 26.512 ( 0.000 -0.180 0.437) 0.473 28.728 ( 0.000 0.667 1.518) 1.658 28.828 ( 0.000 -1.065 1.637) 1.953 29.189 ( 0.000 -3.526 1.944) 4.027 29.190 ( 0.000 -4.378 3.462) 5.582 29.287 ( 0.000 -1.329 0.106) 1.334 29.491 ( 0.000 -5.675 -1.593) 5.895 29.553 ( 0.000 -12.748 2.398) 12.971 29.602 ( 0.000 -3.571 1.094) 3.734 30.223 ( 0.000 14.756 -4.797) 15.516 30.385 ( 0.000 4.079 -7.151) 8.232 30.587 ( 0.000 7.271 1.307) 7.388 30.946 ( 0.000 3.078 -6.578) 7.262======================= Grid point 41 (17/60) =======================q-point: ( 0.25 0.17 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.914 ( 10.241 17.816 14.296) 25.033 1.004 ( 20.219 10.544 14.782) 27.175 1.708 ( -1.737 7.090 1.593) 7.471 1.788 ( -15.035 1.091 -3.019) 15.374 1.880 ( 11.199 16.090 10.939) 22.449 1.953 ( 10.264 15.943 2.764) 19.162 2.043 ( -16.304 -0.625 4.747) 16.992 2.303 ( 3.823 -0.261 -2.404) 4.524 2.486 ( 3.903 0.127 -8.093) 8.985 2.573 ( 4.414 -6.783 -4.807) 9.412 2.666 ( -1.377 -5.081 -1.213) 5.402 2.680 ( -5.191 0.067 -4.456) 6.842 2.814 ( -0.749 -4.904 -3.949) 6.341 2.887 ( 1.587 -1.691 4.021) 4.642 2.920 ( 1.799 2.079 -2.455) 3.686 3.081 ( -2.785 2.630 2.009) 4.325 3.095 ( 1.000 1.202 -1.362) 2.073 3.183 ( -0.320 -4.254 -0.798) 4.340 3.247 ( 5.843 -4.887 2.237) 7.939 3.317 ( 0.152 4.062 -0.915) 4.166 3.359 ( 5.679 -0.911 2.983) 6.480 3.420 ( 2.043 0.066 -1.786) 2.714 3.507 ( 5.142 -0.565 -3.946) 6.507 3.601 ( 2.341 -2.726 -1.936) 4.081 3.657 ( -11.564 2.156 -3.626) 12.309 3.683 ( -4.220 -0.179 -0.569) 4.262 3.764 ( -3.193 3.454 -1.036) 4.817 3.838 ( -8.417 2.521 3.817) 9.579 3.891 ( -7.066 8.628 1.724) 11.285 3.968 ( 0.739 -2.293 -1.336) 2.755 4.008 ( 2.315 -5.008 -3.704) 6.645 4.090 ( 1.534 0.241 -0.919) 1.804 4.137 ( 4.629 -0.628 -5.754) 7.411 4.151 ( 4.104 0.844 3.706) 5.594 4.197 ( 0.496 -1.454 0.281) 1.562 4.263 ( 0.767 -0.797 -0.333) 1.155 4.292 ( -2.179 2.246 0.284) 3.142 4.383 ( -2.242 -1.909 2.241) 3.700 4.467 ( 1.121 2.668 2.462) 3.800 4.544 ( -1.232 6.047 0.191) 6.174 4.632 ( 1.566 3.229 -1.907) 4.064 4.746 ( 0.435 0.124 1.405) 1.476 4.790 ( -3.185 0.617 -0.633) 3.305 4.812 ( -0.665 -1.053 1.964) 2.325 4.895 ( 2.416 -6.668 2.372) 7.479 4.939 ( -2.388 1.395 0.466) 2.805 5.010 ( 2.461 -3.558 -0.315) 4.338 5.087 ( 2.113 -4.520 1.260) 5.146 5.179 ( -5.275 -0.722 1.525) 5.538 5.196 ( -5.884 -0.447 -1.029) 5.990 5.388 ( 2.869 -3.250 1.813) 4.699 5.439 ( -0.066 -1.400 1.134) 1.803 5.525 ( 0.970 -1.534 -1.955) 2.667 5.640 ( -3.306 9.169 -5.024) 10.965 5.738 ( 0.628 1.793 -1.332) 2.320 5.899 ( -1.099 0.790 0.031) 1.354 5.974 ( 4.603 8.369 4.125) 10.404 6.163 ( 3.387 0.846 3.397) 4.871 6.716 ( 10.400 -7.446 -8.742) 15.493 7.183 ( -9.149 -9.319 -8.717) 15.701 11.534 ( 4.550 1.540 0.400) 4.820 11.601 ( -1.234 -0.146 -1.838) 2.218 11.604 ( -1.056 1.654 -1.246) 2.324 11.716 ( 1.059 -2.844 -1.103) 3.229 11.724 ( 3.814 0.562 -2.017) 4.351 11.864 ( -0.599 4.057 -2.780) 4.955 11.884 ( -2.038 3.676 -2.046) 4.674 12.012 ( -3.214 -2.887 -4.138) 5.983 15.845 ( -0.650 -1.539 1.094) 1.997 15.889 ( -1.396 -0.865 0.114) 1.646 15.901 ( -0.367 -0.673 0.968) 1.235 15.936 ( -1.505 -1.935 0.855) 2.597 16.081 ( 1.774 -0.587 1.520) 2.409 16.093 ( 1.525 0.078 0.147) 1.534 16.122 ( 2.054 0.045 1.018) 2.293 16.144 ( 1.174 2.246 1.099) 2.762 16.195 ( -0.586 1.325 1.246) 1.911 16.265 ( 1.759 -0.258 1.023) 2.052 16.302 ( -2.298 0.357 0.771) 2.450 16.400 ( -3.477 -1.878 3.359) 5.187 26.474 ( 0.150 0.119 0.247) 0.313 26.488 ( 0.020 0.016 0.169) 0.171 26.491 ( 0.008 -0.015 0.370) 0.370 26.509 ( -0.267 -0.197 0.323) 0.464 28.882 ( 4.797 -0.923 0.914) 4.970 28.891 ( 9.870 -2.679 -2.809) 10.606 29.134 ( -3.223 -3.993 1.823) 5.445 29.220 ( -0.483 -3.008 -0.311) 3.062 29.253 ( -1.019 -3.144 3.120) 4.545 29.415 ( -5.236 -6.786 2.304) 8.875 29.555 ( 1.826 -5.310 -1.373) 5.780 29.647 ( 0.675 -7.938 1.321) 8.075 30.223 ( 1.003 14.108 -4.118) 14.731 30.369 ( -2.294 6.672 -5.537) 8.968 30.611 ( 2.516 5.755 0.001) 6.281 30.834 ( -7.128 5.112 -2.867) 9.228======================= Grid point 42 (18/60) =======================q-point: (-0.50 0.17 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.281 ( -19.871 6.654 4.150) 21.363 1.281 ( 19.871 6.654 4.150) 21.363 1.518 ( -21.866 4.833 10.542) 24.751 1.518 ( 21.866 4.833 10.542) 24.751 1.835 ( -3.275 6.883 -4.719) 8.965 1.835 ( 3.275 6.883 -4.719) 8.965 2.442 ( -6.751 1.279 -6.917) 9.750 2.442 ( 6.751 1.279 -6.917) 9.750 2.528 ( -18.632 8.772 9.472) 22.668 2.528 ( 18.632 8.772 9.472) 22.668 2.615 ( -1.719 -5.790 -3.975) 7.230 2.615 ( 1.719 -5.790 -3.975) 7.230 2.827 ( -5.536 -3.379 2.717) 7.032 2.827 ( 5.536 -3.379 2.717) 7.032 2.994 ( -4.138 0.161 -0.158) 4.145 2.994 ( 4.138 0.161 -0.158) 4.145 3.114 ( -3.802 3.693 2.766) 5.978 3.114 ( 3.802 3.693 2.766) 5.978 3.323 ( -0.999 -2.580 0.074) 2.768 3.323 ( 0.999 -2.580 0.074) 2.768 3.414 ( -5.102 0.923 -2.569) 5.787 3.414 ( 5.102 0.923 -2.569) 5.787 3.523 ( -1.883 -0.168 1.925) 2.698 3.523 ( 1.883 -0.168 1.925) 2.698 3.667 ( -1.867 -0.979 0.043) 2.109 3.667 ( 1.867 -0.979 0.043) 2.109 3.749 ( -4.673 3.283 -3.388) 6.640 3.749 ( 4.673 3.283 -3.388) 6.640 3.874 ( -7.390 2.580 -4.787) 9.175 3.874 ( 7.390 2.580 -4.787) 9.175 4.067 ( -2.159 -0.141 -3.237) 3.894 4.067 ( 2.159 -0.141 -3.237) 3.894 4.215 ( -2.393 -3.138 -0.918) 4.052 4.215 ( 2.393 -3.138 -0.918) 4.052 4.243 ( -0.815 -1.726 -1.992) 2.759 4.243 ( 0.815 -1.726 -1.992) 2.759 4.323 ( -2.917 -1.820 1.405) 3.714 4.323 ( 2.917 -1.820 1.405) 3.714 4.498 ( -3.476 5.556 -0.897) 6.615 4.498 ( 3.476 5.556 -0.897) 6.615 4.685 ( -2.792 5.489 0.726) 6.201 4.685 ( 2.792 5.489 0.726) 6.201 4.804 ( -5.533 -4.291 -0.069) 7.002 4.804 ( 5.533 -4.291 -0.069) 7.002 4.887 ( -4.316 -1.566 1.397) 4.799 4.887 ( 4.316 -1.566 1.397) 4.799 5.061 ( -3.498 -8.240 2.494) 9.292 5.061 ( 3.498 -8.240 2.494) 9.292 5.126 ( -0.223 0.936 -0.385) 1.036 5.126 ( 0.223 0.936 -0.385) 1.036 5.434 ( -1.364 -1.190 1.157) 2.149 5.434 ( 1.364 -1.190 1.157) 2.149 5.568 ( -2.991 5.496 -3.009) 6.943 5.568 ( 2.991 5.496 -3.009) 6.943 5.801 ( -4.402 0.373 2.842) 5.253 5.801 ( 4.402 0.373 2.842) 5.253 6.133 ( -5.825 5.195 7.227) 10.637 6.133 ( 5.825 5.195 7.227) 10.637 6.959 ( -10.767 -8.771 -12.983) 19.011 6.959 ( 10.767 -8.771 -12.983) 19.011 11.588 ( -0.224 1.004 -1.775) 2.052 11.588 ( 0.224 1.004 -1.775) 2.052 11.655 ( -5.345 0.922 0.052) 5.425 11.655 ( 5.345 0.922 0.052) 5.425 11.812 ( -3.772 2.897 -2.155) 5.221 11.812 ( 3.772 2.897 -2.155) 5.221 11.922 ( -4.311 -1.020 -4.124) 6.052 11.922 ( 4.311 -1.020 -4.124) 6.052 15.855 ( -1.237 -1.939 0.947) 2.488 15.855 ( 1.237 -1.939 0.947) 2.488 15.907 ( -0.954 -1.722 1.403) 2.418 15.907 ( 0.954 -1.722 1.403) 2.418 16.103 ( -0.550 1.330 1.314) 1.949 16.103 ( 0.550 1.330 1.314) 1.949 16.161 ( -1.048 -0.444 1.617) 1.977 16.161 ( 1.048 -0.444 1.617) 1.977 16.221 ( -3.560 0.661 0.117) 3.623 16.221 ( 3.560 0.661 0.117) 3.623 16.328 ( -2.912 -1.030 2.093) 3.731 16.328 ( 2.912 -1.030 2.093) 3.731 26.480 ( -0.379 0.116 0.367) 0.540 26.480 ( 0.379 0.116 0.367) 0.540 26.501 ( -0.482 -0.175 0.130) 0.529 26.501 ( 0.482 -0.175 0.130) 0.529 28.992 ( -3.703 -1.021 0.519) 3.876 28.992 ( 3.703 -1.021 0.519) 3.876 29.126 ( -5.103 -3.729 -2.753) 6.894 29.126 ( 5.103 -3.729 -2.753) 6.894 29.308 ( -4.059 -5.813 3.903) 8.093 29.308 ( 4.059 -5.813 3.903) 8.093 29.614 ( -2.890 -5.792 -0.371) 6.484 29.614 ( 2.890 -5.792 -0.371) 6.484 30.287 ( -4.224 10.764 -3.667) 12.130 30.287 ( 4.224 10.764 -3.667) 12.130 30.697 ( -5.055 4.776 -1.526) 7.120 30.697 ( 5.055 4.776 -1.526) 7.120======================= Grid point 45 (19/60) =======================q-point: ( 0.00 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( 0.000 24.565 4.419) 24.959 1.308 ( 0.000 22.828 6.156) 23.644 1.834 ( 0.000 4.133 -0.981) 4.248 1.981 ( 0.000 -8.611 3.845) 9.430 2.069 ( 0.000 0.220 -9.781) 9.783 2.131 ( 0.000 3.032 7.787) 8.356 2.212 ( 0.000 15.388 9.208) 17.933 2.319 ( 0.000 0.605 -3.973) 4.019 2.422 ( 0.000 11.218 -2.650) 11.527 2.447 ( 0.000 -1.201 -5.992) 6.111 2.617 ( 0.000 -1.452 -0.530) 1.546 2.713 ( 0.000 1.292 1.511) 1.988 2.850 ( 0.000 3.692 -2.904) 4.697 2.927 ( 0.000 0.557 -4.825) 4.857 2.933 ( 0.000 -4.767 -1.030) 4.877 2.948 ( 0.000 -2.940 0.897) 3.074 2.994 ( 0.000 -6.060 -6.024) 8.544 3.106 ( 0.000 -0.992 2.807) 2.977 3.172 ( 0.000 -6.005 -1.815) 6.273 3.214 ( 0.000 -8.092 6.253) 10.226 3.266 ( 0.000 -0.850 -4.287) 4.371 3.280 ( 0.000 -0.209 7.027) 7.030 3.498 ( 0.000 5.961 -2.415) 6.431 3.645 ( 0.000 4.226 -1.067) 4.358 3.720 ( 0.000 -0.416 -5.854) 5.868 3.783 ( 0.000 1.112 -3.727) 3.890 3.814 ( 0.000 -3.952 -4.132) 5.718 3.860 ( 0.000 -1.953 -6.037) 6.345 3.914 ( 0.000 1.134 -3.037) 3.242 3.997 ( 0.000 -5.361 3.197) 6.241 4.010 ( 0.000 -1.196 0.930) 1.515 4.064 ( 0.000 -1.975 4.572) 4.980 4.080 ( 0.000 1.635 0.685) 1.773 4.191 ( 0.000 -1.107 5.813) 5.917 4.193 ( 0.000 3.459 4.194) 5.437 4.288 ( 0.000 1.500 4.904) 5.128 4.338 ( 0.000 -4.441 4.166) 6.089 4.405 ( 0.000 -4.253 0.420) 4.274 4.476 ( 0.000 -2.007 2.275) 3.033 4.643 ( 0.000 3.338 0.064) 3.338 4.689 ( 0.000 3.302 -4.817) 5.840 4.707 ( 0.000 5.983 4.610) 7.553 4.782 ( 0.000 2.885 0.210) 2.892 4.833 ( 0.000 -3.275 -0.141) 3.278 4.932 ( 0.000 0.693 1.715) 1.850 4.982 ( 0.000 10.518 3.831) 11.194 4.986 ( 0.000 -0.600 2.341) 2.417 5.106 ( 0.000 7.010 0.642) 7.039 5.186 ( 0.000 1.595 -0.537) 1.683 5.195 ( 0.000 -3.882 5.349) 6.609 5.307 ( 0.000 -2.842 -1.302) 3.126 5.441 ( 0.000 -3.171 -2.091) 3.799 5.528 ( 0.000 0.598 0.779) 0.982 5.616 ( 0.000 -8.786 -4.843) 10.033 5.859 ( 0.000 2.237 0.572) 2.309 5.905 ( 0.000 5.091 -9.172) 10.490 6.011 ( 0.000 -3.682 1.445) 3.955 6.149 ( 0.000 1.778 -13.760) 13.874 6.528 ( 0.000 5.536 2.109) 5.924 7.057 ( 0.000 -13.032 -3.372) 13.461 11.521 ( 0.000 2.459 0.211) 2.468 11.606 ( 0.000 -1.279 -1.767) 2.182 11.619 ( 0.000 -1.567 -1.248) 2.003 11.634 ( 0.000 -2.179 -0.419) 2.219 11.697 ( 0.000 5.322 -2.202) 5.759 11.953 ( 0.000 -5.600 -3.718) 6.722 11.979 ( 0.000 3.752 -3.304) 4.999 11.988 ( 0.000 3.026 -3.211) 4.412 15.890 ( 0.000 0.463 0.048) 0.466 15.895 ( 0.000 0.372 -0.424) 0.564 15.909 ( 0.000 -0.175 -0.188) 0.257 15.917 ( 0.000 -1.627 -0.576) 1.726 16.017 ( 0.000 -0.232 0.361) 0.429 16.064 ( 0.000 -1.115 0.731) 1.333 16.110 ( 0.000 1.136 1.526) 1.903 16.163 ( 0.000 0.288 2.208) 2.227 16.219 ( 0.000 0.472 1.746) 1.809 16.263 ( 0.000 1.107 0.761) 1.344 16.338 ( 0.000 0.198 1.449) 1.462 16.390 ( 0.000 -2.936 3.824) 4.822 26.476 ( 0.000 0.187 0.217) 0.287 26.483 ( 0.000 -0.099 0.068) 0.120 26.498 ( 0.000 0.169 0.570) 0.594 26.508 ( 0.000 -0.268 0.426) 0.503 28.747 ( 0.000 1.111 1.463) 1.837 28.802 ( 0.000 -1.435 1.159) 1.845 29.122 ( 0.000 -2.131 1.294) 2.493 29.160 ( 0.000 0.398 1.061) 1.134 29.234 ( 0.000 -4.052 -1.474) 4.311 29.366 ( 0.000 -6.285 -0.367) 6.296 29.387 ( 0.000 -2.397 5.758) 6.237 29.498 ( 0.000 -5.454 2.640) 6.059 30.467 ( 0.000 8.631 -7.287) 11.296 30.500 ( 0.000 5.713 -9.533) 11.113 30.732 ( 0.000 6.377 1.334) 6.515 30.939 ( 0.000 -2.946 -3.026) 4.223======================= Grid point 46 (20/60) =======================q-point: ( 0.25 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( 6.714 18.289 8.576) 21.286 1.393 ( 7.269 21.565 8.677) 24.355 1.816 ( -12.951 1.747 3.666) 13.573 1.845 ( -0.230 2.079 -1.546) 2.601 1.991 ( -10.988 0.006 3.814) 11.631 2.096 ( -0.475 -1.357 -5.187) 5.383 2.247 ( -4.048 -1.481 1.725) 4.643 2.290 ( 6.134 -0.160 -1.984) 6.449 2.503 ( 7.378 10.217 2.122) 12.780 2.567 ( 2.991 2.216 4.072) 5.517 2.598 ( 5.442 9.091 -3.550) 11.175 2.707 ( -3.151 -4.784 -1.789) 6.001 2.756 ( -3.985 3.931 -2.801) 6.260 2.835 ( 0.181 -1.146 -1.196) 1.666 2.919 ( -1.102 -3.558 -3.155) 4.881 3.024 ( 0.229 -6.313 -0.595) 6.345 3.072 ( 0.616 -5.587 1.319) 5.773 3.111 ( 8.027 -1.587 -1.660) 8.349 3.235 ( 5.190 2.613 2.007) 6.148 3.322 ( 4.459 0.055 4.110) 6.065 3.380 ( 8.300 -2.669 -4.315) 9.728 3.412 ( 7.614 -2.173 -2.783) 8.393 3.485 ( 0.101 4.229 -0.740) 4.294 3.608 ( -3.246 0.397 -4.465) 5.534 3.681 ( -4.287 0.804 -1.236) 4.534 3.730 ( -5.339 5.455 -3.207) 8.279 3.810 ( -0.238 1.932 -5.905) 6.218 3.875 ( -6.689 -0.836 -1.873) 6.997 3.910 ( 4.855 -2.531 -3.706) 6.611 3.961 ( 2.230 0.432 -1.016) 2.488 4.070 ( 1.959 -0.881 1.542) 2.644 4.086 ( 2.076 -1.527 -2.787) 3.796 4.100 ( -4.492 4.929 7.393) 9.957 4.137 ( 2.551 -1.666 4.931) 5.797 4.196 ( -2.411 -4.327 1.221) 5.102 4.258 ( -3.484 6.649 -0.034) 7.507 4.325 ( -2.312 -1.926 2.574) 3.960 4.359 ( -3.843 1.223 6.262) 7.448 4.444 ( 3.227 -8.920 1.696) 9.636 4.610 ( -0.852 3.791 1.190) 4.064 4.652 ( -1.130 2.859 -0.481) 3.112 4.714 ( 1.242 0.488 -0.828) 1.571 4.775 ( -2.668 -0.561 -1.213) 2.984 4.804 ( 0.109 -0.936 1.853) 2.079 4.871 ( -3.211 -0.154 0.686) 3.287 4.931 ( -2.253 -4.387 2.005) 5.323 4.966 ( -6.203 1.739 1.719) 6.667 5.113 ( -3.897 3.044 0.929) 5.031 5.142 ( -1.361 -0.907 2.499) 2.986 5.217 ( -3.379 1.688 1.135) 3.944 5.319 ( 2.887 -3.707 1.582) 4.958 5.371 ( 0.397 -4.620 2.876) 5.457 5.555 ( 6.987 5.163 -3.288) 9.289 5.757 ( 3.306 -0.309 -1.586) 3.680 5.776 ( -3.205 4.040 -3.046) 5.989 5.889 ( -4.535 -1.398 1.377) 4.942 6.092 ( 8.301 3.486 -2.001) 9.223 6.272 ( 6.477 5.705 -8.188) 11.897 6.556 ( 3.547 -4.077 -2.597) 5.996 6.958 ( -8.252 -12.208 -6.261) 16.010 11.576 ( 4.128 2.303 -0.161) 4.730 11.599 ( 0.553 0.489 -1.231) 1.436 11.647 ( -0.568 1.025 -0.557) 1.297 11.661 ( 2.089 -2.375 -0.981) 3.312 11.740 ( 4.886 2.028 -3.462) 6.322 11.929 ( -1.906 -4.384 -3.967) 6.212 11.944 ( -2.676 2.755 -3.550) 5.230 11.957 ( -2.827 2.777 -3.475) 5.271 15.837 ( -2.025 0.580 1.117) 2.384 15.866 ( -2.213 -0.939 0.598) 2.477 15.890 ( -1.476 -0.614 0.770) 1.774 15.906 ( -1.417 -1.194 0.927) 2.072 16.065 ( 3.314 -0.220 0.234) 3.329 16.093 ( 2.110 -0.550 0.527) 2.243 16.129 ( 1.204 0.780 0.878) 1.682 16.172 ( 0.030 -0.184 2.302) 2.310 16.216 ( 0.064 1.635 0.789) 1.816 16.269 ( 0.615 0.226 1.104) 1.284 16.305 ( -2.566 0.099 1.367) 2.909 16.354 ( -2.547 -2.383 3.346) 4.834 26.478 ( 0.173 0.219 0.233) 0.363 26.487 ( 0.311 -0.153 0.074) 0.354 26.493 ( -0.347 0.188 0.480) 0.621 26.504 ( -0.287 -0.288 0.316) 0.514 28.843 ( 6.823 -1.346 0.777) 6.998 28.859 ( 5.185 -1.312 0.536) 5.375 29.073 ( -3.557 -1.701 1.143) 4.105 29.153 ( -3.507 -4.410 -1.280) 5.778 29.216 ( 1.092 0.495 1.919) 2.263 29.337 ( -2.848 0.033 4.190) 5.067 29.414 ( 2.554 -7.102 -0.051) 7.548 29.500 ( -0.369 -6.529 2.480) 6.994 30.470 ( 1.068 9.528 -6.141) 11.386 30.531 ( 1.251 7.451 -7.261) 10.479 30.715 ( -0.607 3.990 -0.444) 4.060 30.870 ( -5.289 -1.490 -3.320) 6.420======================= Grid point 47 (21/60) =======================q-point: (-0.50 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.485 ( -11.958 11.825 8.769) 18.967 1.485 ( 11.958 11.825 8.769) 18.967 1.661 ( -13.196 9.055 8.024) 17.903 1.661 ( 13.196 9.055 8.024) 17.903 1.957 ( -6.751 2.519 -1.340) 7.329 1.957 ( 6.751 2.519 -1.340) 7.329 2.306 ( -4.612 -12.462 -0.137) 13.289 2.306 ( 4.612 -12.462 -0.137) 13.289 2.562 ( -5.079 1.646 -4.133) 6.752 2.562 ( 5.079 1.646 -4.133) 6.752 2.649 ( -5.099 3.955 -1.705) 6.674 2.649 ( 5.099 3.955 -1.705) 6.674 2.860 ( -4.493 -0.832 -3.986) 6.064 2.860 ( 4.493 -0.832 -3.986) 6.064 3.010 ( -4.849 -1.361 2.885) 5.804 3.010 ( 4.849 -1.361 2.885) 5.804 3.147 ( -16.272 5.746 3.646) 17.638 3.147 ( 16.272 5.746 3.646) 17.638 3.339 ( -6.512 2.058 -1.474) 6.987 3.339 ( 6.512 2.058 -1.474) 6.987 3.423 ( -6.322 1.400 -3.339) 7.285 3.423 ( 6.322 1.400 -3.339) 7.285 3.537 ( -5.095 0.134 -2.984) 5.906 3.537 ( 5.095 0.134 -2.984) 5.906 3.653 ( -5.631 1.846 3.637) 6.953 3.653 ( 5.631 1.846 3.637) 6.953 3.804 ( -2.023 2.182 -7.114) 7.711 3.804 ( 2.023 2.182 -7.114) 7.711 3.964 ( -1.699 5.200 0.108) 5.472 3.964 ( 1.699 5.200 0.108) 5.472 4.057 ( -6.041 -2.596 -1.817) 6.822 4.057 ( 6.041 -2.596 -1.817) 6.822 4.139 ( -1.338 -2.448 -2.305) 3.618 4.139 ( 1.338 -2.448 -2.305) 3.618 4.233 ( -1.979 -1.507 3.083) 3.961 4.233 ( 1.979 -1.507 3.083) 3.961 4.275 ( -2.359 -0.318 2.092) 3.169 4.275 ( 2.359 -0.318 2.092) 3.169 4.591 ( -7.313 -10.644 2.044) 13.074 4.591 ( 7.313 -10.644 2.044) 13.074 4.625 ( -2.022 4.483 -2.275) 5.419 4.625 ( 2.022 4.483 -2.275) 5.419 4.805 ( -2.344 2.141 1.066) 3.349 4.805 ( 2.344 2.141 1.066) 3.349 4.838 ( -2.118 -1.992 2.779) 4.022 4.838 ( 2.118 -1.992 2.779) 4.022 4.955 ( -4.612 -2.819 3.109) 6.236 4.955 ( 4.612 -2.819 3.109) 6.236 5.172 ( -1.289 3.838 1.614) 4.358 5.172 ( 1.289 3.838 1.614) 4.358 5.372 ( -1.482 -4.120 3.225) 5.438 5.372 ( 1.482 -4.120 3.225) 5.438 5.694 ( -5.026 5.551 -3.456) 8.247 5.694 ( 5.026 5.551 -3.456) 8.247 5.804 ( -2.599 -0.337 0.734) 2.721 5.804 ( 2.599 -0.337 0.734) 2.721 6.272 ( -5.954 8.424 0.373) 10.322 6.272 ( 5.954 8.424 0.373) 10.322 6.733 ( -10.851 -12.303 -9.878) 19.149 6.733 ( 10.851 -12.303 -9.878) 19.149 11.618 ( -1.472 1.800 -1.131) 2.586 11.618 ( 1.472 1.800 -1.131) 2.586 11.669 ( -2.335 0.134 -0.160) 2.344 11.669 ( 2.335 0.134 -0.160) 2.344 11.864 ( -5.263 1.805 -3.843) 6.762 11.864 ( 5.263 1.805 -3.843) 6.762 11.900 ( -0.262 -0.930 -4.261) 4.369 11.900 ( 0.262 -0.930 -4.261) 4.369 15.826 ( -0.975 -0.243 1.849) 2.105 15.826 ( 0.975 -0.243 1.849) 2.105 15.877 ( -0.567 -1.517 1.462) 2.182 15.877 ( 0.567 -1.517 1.462) 2.182 16.122 ( -0.897 0.644 0.540) 1.230 16.122 ( 0.897 0.644 0.540) 1.230 16.150 ( -1.219 -0.645 1.359) 1.936 16.150 ( 1.219 -0.645 1.359) 1.936 16.241 ( -2.255 1.261 0.675) 2.670 16.241 ( 2.255 1.261 0.675) 2.670 16.301 ( -1.952 -1.468 2.099) 3.221 16.301 ( 1.952 -1.468 2.099) 3.221 26.484 ( -0.368 0.244 0.310) 0.540 26.484 ( 0.368 0.244 0.310) 0.540 26.496 ( -0.420 -0.277 0.158) 0.528 26.496 ( 0.420 -0.277 0.158) 0.528 28.966 ( -4.463 -1.085 0.744) 4.653 28.966 ( 4.463 -1.085 0.744) 4.653 29.028 ( -6.412 -4.480 -0.634) 7.847 29.028 ( 6.412 -4.480 -0.634) 7.847 29.268 ( -3.030 1.384 3.134) 4.574 29.268 ( 3.030 1.384 3.134) 4.574 29.471 ( -2.174 -7.235 0.847) 7.601 29.471 ( 2.174 -7.235 0.847) 7.601 30.515 ( -2.335 10.381 -4.150) 11.421 30.515 ( 2.335 10.381 -4.150) 11.421 30.754 ( -4.190 -0.039 -3.834) 5.680 30.754 ( 4.190 -0.039 -3.834) 5.680======================= Grid point 50 (22/60) =======================q-point: ( 0.00 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( 0.000 -14.281 1.991) 14.419 1.664 ( 0.000 14.281 1.991) 14.419 1.737 ( 0.000 -9.852 -0.825) 9.886 1.737 ( 0.000 9.852 -0.825) 9.886 2.047 ( 0.000 -0.188 2.409) 2.416 2.047 ( 0.000 0.188 2.409) 2.416 2.343 ( 0.000 -0.652 -12.667) 12.684 2.343 ( 0.000 0.652 -12.667) 12.684 2.585 ( 0.000 -1.396 7.381) 7.512 2.585 ( 0.000 1.396 7.381) 7.512 2.725 ( 0.000 -9.916 -4.853) 11.040 2.725 ( 0.000 9.916 -4.853) 11.040 2.862 ( 0.000 -4.519 -0.233) 4.525 2.862 ( 0.000 4.519 -0.233) 4.525 2.922 ( 0.000 -12.461 5.083) 13.457 2.922 ( 0.000 12.461 5.083) 13.457 2.950 ( 0.000 -3.021 -2.529) 3.939 2.950 ( 0.000 3.021 -2.529) 3.939 3.130 ( 0.000 -2.318 3.790) 4.443 3.130 ( 0.000 2.318 3.790) 4.443 3.266 ( 0.000 -0.713 -0.332) 0.787 3.266 ( 0.000 0.713 -0.332) 0.787 3.646 ( 0.000 -6.711 0.550) 6.733 3.646 ( 0.000 6.711 0.550) 6.733 3.726 ( 0.000 -1.542 -5.003) 5.235 3.726 ( 0.000 1.542 -5.003) 5.235 3.839 ( 0.000 -4.724 -3.634) 5.960 3.839 ( 0.000 4.724 -3.634) 5.960 3.890 ( 0.000 -1.656 -4.398) 4.699 3.890 ( 0.000 1.656 -4.398) 4.699 4.025 ( 0.000 -1.836 4.335) 4.708 4.025 ( 0.000 1.836 4.335) 4.708 4.136 ( 0.000 -3.542 3.551) 5.015 4.136 ( 0.000 3.542 3.551) 5.015 4.249 ( 0.000 -3.330 3.282) 4.676 4.249 ( 0.000 3.330 3.282) 4.676 4.301 ( 0.000 -0.050 7.354) 7.354 4.301 ( 0.000 0.050 7.354) 7.354 4.641 ( 0.000 -6.426 -2.253) 6.810 4.641 ( 0.000 6.426 -2.253) 6.810 4.718 ( 0.000 -0.841 0.373) 0.920 4.718 ( 0.000 0.841 0.373) 0.920 4.808 ( 0.000 -0.058 -0.736) 0.738 4.808 ( 0.000 0.058 -0.736) 0.738 4.959 ( 0.000 -1.926 3.097) 3.647 4.959 ( 0.000 1.926 3.097) 3.647 5.141 ( 0.000 -3.317 2.522) 4.167 5.141 ( 0.000 3.317 2.522) 4.167 5.239 ( 0.000 -3.929 -1.000) 4.054 5.239 ( 0.000 3.929 -1.000) 4.054 5.316 ( 0.000 -11.066 1.724) 11.199 5.316 ( 0.000 11.066 1.724) 11.199 5.499 ( 0.000 -0.959 -2.338) 2.527 5.499 ( 0.000 0.959 -2.338) 2.527 5.910 ( 0.000 -2.728 1.064) 2.929 5.910 ( 0.000 2.728 1.064) 2.929 6.057 ( 0.000 -6.417 -11.509) 13.177 6.057 ( 0.000 6.417 -11.509) 13.177 6.772 ( 0.000 -14.375 -1.569) 14.460 6.772 ( 0.000 14.375 -1.569) 14.460 11.574 ( 0.000 -2.411 -0.629) 2.492 11.574 ( 0.000 2.411 -0.629) 2.492 11.603 ( 0.000 -0.135 -0.783) 0.795 11.603 ( 0.000 0.135 -0.783) 0.795 11.824 ( 0.000 -6.583 -3.126) 7.287 11.824 ( 0.000 6.583 -3.126) 7.287 12.021 ( 0.000 -0.199 -3.826) 3.831 12.021 ( 0.000 0.199 -3.826) 3.831 15.897 ( 0.000 -0.175 -0.060) 0.185 15.897 ( 0.000 0.175 -0.060) 0.185 15.902 ( 0.000 -0.123 -0.404) 0.422 15.902 ( 0.000 0.123 -0.404) 0.422 16.034 ( 0.000 -1.531 0.128) 1.536 16.034 ( 0.000 1.531 0.128) 1.536 16.140 ( 0.000 -1.664 2.329) 2.862 16.140 ( 0.000 1.664 2.329) 2.862 16.255 ( 0.000 -1.787 1.380) 2.258 16.255 ( 0.000 1.787 1.380) 2.258 16.347 ( 0.000 -1.027 2.544) 2.743 16.347 ( 0.000 1.027 2.544) 2.743 26.480 ( 0.000 -0.182 0.177) 0.254 26.480 ( 0.000 0.182 0.177) 0.254 26.502 ( 0.000 -0.257 0.476) 0.541 26.502 ( 0.000 0.257 0.476) 0.541 28.772 ( 0.000 -1.360 1.182) 1.802 28.772 ( 0.000 1.360 1.182) 1.802 29.122 ( 0.000 -2.259 0.786) 2.392 29.122 ( 0.000 2.259 0.786) 2.392 29.248 ( 0.000 -4.659 0.191) 4.663 29.248 ( 0.000 4.659 0.191) 4.663 29.406 ( 0.000 -3.151 3.624) 4.802 29.406 ( 0.000 3.151 3.624) 4.802 30.564 ( 0.000 -0.527 -9.330) 9.345 30.564 ( 0.000 0.527 -9.330) 9.345 30.850 ( 0.000 -5.257 0.028) 5.257 30.850 ( 0.000 5.257 0.028) 5.257======================= Grid point 52 (23/60) =======================q-point: ( 0.25 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.643 ( 1.006 -15.640 1.370) 15.732 1.643 ( 1.006 15.640 1.370) 15.732 1.771 ( 0.021 -10.649 5.319) 11.903 1.771 ( 0.021 10.649 5.319) 11.903 2.003 ( -2.494 -2.039 2.770) 4.248 2.003 ( -2.494 2.039 2.770) 4.248 2.246 ( -8.006 -2.931 -3.386) 9.174 2.246 ( -8.006 2.931 -3.386) 9.174 2.607 ( -0.285 -3.880 2.409) 4.576 2.607 ( -0.285 3.880 2.409) 4.576 2.698 ( -1.550 -8.465 -0.475) 8.619 2.698 ( -1.550 8.465 -0.475) 8.619 2.865 ( 0.465 -0.783 -3.583) 3.696 2.865 ( 0.465 0.783 -3.583) 3.696 2.921 ( 4.520 -4.302 -4.557) 7.727 2.921 ( 4.520 4.302 -4.557) 7.727 3.006 ( 5.509 -6.765 1.671) 8.883 3.006 ( 5.509 6.765 1.671) 8.883 3.292 ( 8.392 -3.352 -1.837) 9.222 3.292 ( 8.392 3.352 -1.837) 9.222 3.367 ( 7.974 -2.632 1.749) 8.578 3.367 ( 7.974 2.632 1.749) 8.578 3.585 ( -3.785 -3.095 -3.583) 6.062 3.585 ( -3.785 3.095 -3.583) 6.062 3.757 ( -1.961 -7.432 1.568) 7.844 3.757 ( -1.961 7.432 1.568) 7.844 3.820 ( -0.163 -2.549 -5.888) 6.418 3.820 ( -0.163 2.549 -5.888) 6.418 3.921 ( 4.330 -2.372 -4.079) 6.404 3.921 ( 4.330 2.372 -4.079) 6.404 4.059 ( 2.581 -1.886 4.882) 5.836 4.059 ( 2.581 1.886 4.882) 5.836 4.112 ( -1.613 -3.221 0.229) 3.610 4.112 ( -1.613 3.221 0.229) 3.610 4.211 ( -2.490 -4.835 4.777) 7.239 4.211 ( -2.490 4.835 4.777) 7.239 4.351 ( 0.910 -2.337 3.318) 4.159 4.351 ( 0.910 2.337 3.318) 4.159 4.546 ( -8.905 -11.068 2.676) 14.456 4.546 ( -8.905 11.068 2.676) 14.456 4.704 ( 0.049 -2.929 -0.906) 3.067 4.704 ( 0.049 2.929 -0.906) 3.067 4.776 ( -2.184 -1.406 -1.617) 3.060 4.776 ( -2.184 1.406 -1.617) 3.060 4.872 ( -4.472 -1.646 1.146) 4.901 4.872 ( -4.472 1.646 1.146) 4.901 5.041 ( -6.661 -4.929 4.089) 9.240 5.041 ( -6.661 4.929 4.089) 9.240 5.239 ( 1.138 -3.335 1.821) 3.967 5.239 ( 1.138 3.335 1.821) 3.967 5.269 ( 0.951 -3.521 1.998) 4.159 5.269 ( 0.951 3.521 1.998) 4.159 5.692 ( 6.977 -6.060 -1.699) 9.396 5.692 ( 6.977 6.060 -1.699) 9.396 5.842 ( -3.763 -2.832 -1.022) 4.820 5.842 ( -3.763 2.832 -1.022) 4.820 6.203 ( 11.358 -7.283 -8.296) 15.839 6.203 ( 11.358 7.283 -8.296) 15.839 6.695 ( -6.794 -12.648 -3.076) 14.683 6.695 ( -6.794 12.648 -3.076) 14.683 11.614 ( 2.142 -1.189 -1.263) 2.756 11.614 ( 2.142 1.189 -1.263) 2.756 11.632 ( 2.721 -1.476 -0.065) 3.096 11.632 ( 2.721 1.476 -0.065) 3.096 11.823 ( 0.581 -5.213 -3.768) 6.459 11.823 ( 0.581 5.213 -3.768) 6.459 11.983 ( -3.346 -0.439 -4.009) 5.240 11.983 ( -3.346 0.439 -4.009) 5.240 15.854 ( -1.849 -0.693 0.749) 2.112 15.854 ( -1.849 0.693 0.749) 2.112 15.885 ( -2.084 -0.544 1.044) 2.393 15.885 ( -2.084 0.544 1.044) 2.393 16.075 ( 2.903 -0.948 0.104) 3.056 16.075 ( 2.903 0.948 0.104) 3.056 16.152 ( 0.497 -1.257 1.595) 2.091 16.152 ( 0.497 1.257 1.595) 2.091 16.256 ( 0.136 -1.651 1.191) 2.040 16.256 ( 0.136 1.651 1.191) 2.040 16.315 ( -2.337 -1.100 2.267) 3.437 16.315 ( -2.337 1.100 2.267) 3.437 26.483 ( 0.234 -0.238 0.177) 0.378 26.483 ( 0.234 0.238 0.177) 0.378 26.498 ( -0.319 -0.288 0.378) 0.573 26.498 ( -0.319 0.288 0.378) 0.573 28.837 ( 5.205 -0.575 0.895) 5.313 28.837 ( 5.205 0.575 0.895) 5.313 29.075 ( -3.792 -2.144 0.542) 4.390 29.075 ( -3.792 2.144 0.542) 4.390 29.281 ( 2.420 -5.176 0.732) 5.761 29.281 ( 2.420 5.176 0.732) 5.761 29.388 ( -1.597 -4.094 3.065) 5.358 29.388 ( -1.597 4.094 3.065) 5.358 30.597 ( 2.966 -2.062 -7.800) 8.596 30.597 ( 2.966 2.062 -7.800) 8.596 30.798 ( -4.252 -4.537 -1.131) 6.321 30.798 ( -4.252 4.537 -1.131) 6.321======================= Grid point 54 (24/60) =======================q-point: (-0.50 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( -4.202 -7.949 4.908) 10.244 1.713 ( 4.124 -7.939 4.908) 10.204 1.713 ( -4.124 7.939 4.908) 10.204 1.713 ( 4.202 7.949 4.908) 10.244 2.047 ( -6.185 -10.702 4.168) 13.045 2.047 ( 3.806 -10.420 4.168) 11.851 2.047 ( -3.806 10.420 4.168) 11.851 2.047 ( 6.185 10.702 4.168) 13.045 2.646 ( -2.745 -4.943 -2.079) 6.024 2.646 ( 1.766 -4.830 -2.079) 5.547 2.646 ( -1.766 4.830 -2.079) 5.547 2.646 ( 2.745 4.943 -2.079) 6.024 2.895 ( -1.626 -6.046 -3.216) 7.039 2.895 ( 0.603 -5.999 -3.216) 6.834 2.895 ( -0.603 5.999 -3.216) 6.834 2.895 ( 1.626 6.046 -3.216) 7.039 3.297 ( -11.774 -5.293 2.364) 13.124 3.297 ( -5.316 0.647 2.364) 5.854 3.297 ( 5.316 -0.647 2.364) 5.854 3.297 ( 11.774 5.293 2.364) 13.124 3.496 ( -5.691 -3.626 -7.765) 10.288 3.496 ( 2.809 -2.650 -7.765) 8.673 3.496 ( -2.809 2.650 -7.765) 8.673 3.496 ( 5.691 3.626 -7.765) 10.288 3.779 ( -5.494 -6.248 -3.138) 8.892 3.779 ( 5.034 -6.150 -3.138) 8.545 3.779 ( -5.034 6.150 -3.138) 8.545 3.779 ( 5.494 6.248 -3.138) 8.892 4.018 ( -5.250 -1.431 0.077) 5.442 4.018 ( -5.250 1.431 0.077) 5.442 4.018 ( 5.250 -1.431 0.077) 5.442 4.018 ( 5.250 1.431 0.077) 5.442 4.142 ( -3.765 -4.753 4.789) 7.726 4.142 ( 3.684 -4.737 4.789) 7.678 4.142 ( -3.684 4.737 4.789) 7.678 4.142 ( 3.765 4.753 4.789) 7.726 4.374 ( -6.133 -8.325 1.734) 10.485 4.374 ( 6.061 -8.312 1.734) 10.432 4.374 ( -6.061 8.312 1.734) 10.432 4.374 ( 6.133 8.325 1.734) 10.485 4.735 ( -1.855 -5.132 -0.348) 5.468 4.735 ( 1.017 -5.073 -0.348) 5.185 4.735 ( -1.017 5.073 -0.348) 5.185 4.735 ( 1.855 5.132 -0.348) 5.468 4.892 ( -5.101 -3.339 3.052) 6.818 4.892 ( -0.901 -2.201 3.052) 3.869 4.892 ( 0.901 2.201 3.052) 3.869 4.892 ( 5.101 3.339 3.052) 6.818 5.273 ( -0.735 -5.326 3.062) 6.188 5.273 ( 0.658 -5.324 3.062) 6.177 5.273 ( -0.658 5.324 3.062) 6.177 5.273 ( 0.735 5.326 3.062) 6.188 5.777 ( -2.390 -2.507 -1.364) 3.722 5.777 ( 2.385 -2.505 -1.364) 3.718 5.777 ( -2.385 2.505 -1.364) 3.718 5.777 ( 2.390 2.507 -1.364) 3.722 6.481 ( -11.104 -11.444 -5.785) 16.962 6.481 ( 5.743 -10.411 -5.785) 13.222 6.481 ( -5.743 10.411 -5.785) 13.222 6.481 ( 11.104 11.444 -5.785) 16.962 11.654 ( -1.123 -1.465 -0.584) 1.936 11.654 ( 1.113 -1.463 -0.584) 1.929 11.654 ( -1.113 1.463 -0.584) 1.929 11.654 ( 1.123 1.465 -0.584) 1.936 11.886 ( -4.705 -0.575 -4.322) 6.415 11.886 ( -4.685 0.532 -4.322) 6.396 11.886 ( 4.685 -0.532 -4.322) 6.396 11.886 ( 4.705 0.575 -4.322) 6.415 15.843 ( -0.684 -1.522 1.790) 2.447 15.843 ( 0.170 -1.485 1.790) 2.332 15.843 ( -0.170 1.485 1.790) 2.332 15.843 ( 0.684 1.522 1.790) 2.447 16.136 ( -1.963 -0.619 0.694) 2.172 16.136 ( -1.524 -0.015 0.694) 1.674 16.136 ( 1.524 0.015 0.694) 1.674 16.136 ( 1.963 0.619 0.694) 2.172 16.270 ( -1.344 -1.511 1.479) 2.505 16.270 ( 1.344 -1.511 1.479) 2.505 16.270 ( -1.344 1.511 1.479) 2.505 16.270 ( 1.344 1.511 1.479) 2.505 26.490 ( -0.382 -0.307 0.230) 0.542 26.490 ( 0.350 -0.297 0.230) 0.514 26.490 ( -0.350 0.297 0.230) 0.514 26.490 ( 0.382 0.307 0.230) 0.542 28.967 ( -5.721 -1.365 0.540) 5.906 28.967 ( -5.418 1.009 0.540) 5.537 28.967 ( 5.418 -1.009 0.540) 5.537 28.967 ( 5.721 1.365 0.540) 5.906 29.339 ( -2.631 -5.193 1.813) 6.098 29.339 ( 2.605 -5.190 1.813) 6.084 29.339 ( -2.605 5.190 1.813) 6.084 29.339 ( 2.631 5.193 1.813) 6.098 30.689 ( -3.751 -5.918 -4.281) 8.211 30.689 ( 0.816 -5.627 -4.281) 7.118 30.689 ( -0.816 5.627 -4.281) 7.118 30.689 ( 3.751 5.918 -4.281) 8.211======================= Grid point 70 (25/60) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.149 ( 0.000 0.000 24.431) 24.431 1.219 ( 0.000 0.000 25.397) 25.397 1.558 ( 0.000 0.000 -12.075) 12.075 1.697 ( 0.000 0.000 1.724) 1.724 1.937 ( 0.000 0.000 -5.084) 5.084 2.004 ( 0.000 0.000 -8.264) 8.264 2.006 ( 0.000 0.000 43.583) 43.583 2.198 ( 0.000 0.000 -17.224) 17.224 2.427 ( 0.000 0.000 -12.728) 12.728 2.467 ( 0.000 0.000 1.132) 1.132 2.500 ( 0.000 0.000 -0.757) 0.757 2.603 ( 0.000 0.000 -4.045) 4.045 2.758 ( 0.000 0.000 -1.783) 1.783 2.900 ( 0.000 0.000 2.192) 2.192 2.939 ( 0.000 0.000 -1.654) 1.654 3.101 ( 0.000 0.000 -6.336) 6.336 3.149 ( 0.000 0.000 -4.638) 4.638 3.162 ( 0.000 0.000 3.530) 3.530 3.169 ( 0.000 0.000 13.140) 13.140 3.199 ( 0.000 0.000 -1.504) 1.504 3.326 ( 0.000 0.000 -4.709) 4.709 3.503 ( 0.000 0.000 3.376) 3.376 3.546 ( 0.000 0.000 -10.321) 10.321 3.575 ( 0.000 0.000 0.488) 0.488 3.601 ( 0.000 0.000 -0.769) 0.769 3.734 ( 0.000 0.000 -2.096) 2.096 3.826 ( 0.000 0.000 2.168) 2.168 3.827 ( 0.000 0.000 -8.264) 8.264 3.881 ( 0.000 0.000 -5.177) 5.177 3.909 ( 0.000 0.000 -7.951) 7.951 3.921 ( 0.000 0.000 7.024) 7.024 4.032 ( 0.000 0.000 -7.066) 7.066 4.040 ( 0.000 0.000 -1.517) 1.517 4.173 ( 0.000 0.000 1.489) 1.489 4.184 ( 0.000 0.000 -0.491) 0.491 4.284 ( 0.000 0.000 -0.443) 0.443 4.431 ( 0.000 0.000 -0.166) 0.166 4.525 ( 0.000 0.000 3.768) 3.768 4.550 ( 0.000 0.000 4.709) 4.709 4.555 ( 0.000 0.000 2.010) 2.010 4.647 ( 0.000 0.000 13.678) 13.678 4.708 ( 0.000 0.000 -0.329) 0.329 4.785 ( 0.000 0.000 6.893) 6.893 4.874 ( 0.000 0.000 0.872) 0.872 4.934 ( 0.000 0.000 -0.177) 0.177 4.953 ( 0.000 0.000 -0.036) 0.036 4.968 ( 0.000 0.000 4.978) 4.978 5.239 ( 0.000 0.000 2.668) 2.668 5.313 ( 0.000 0.000 -3.500) 3.500 5.347 ( 0.000 0.000 0.694) 0.694 5.384 ( 0.000 0.000 1.132) 1.132 5.448 ( 0.000 0.000 -3.682) 3.682 5.456 ( 0.000 0.000 -1.623) 1.623 5.506 ( 0.000 0.000 -2.737) 2.737 5.554 ( 0.000 0.000 -0.386) 0.386 5.648 ( 0.000 0.000 -2.586) 2.586 5.958 ( 0.000 0.000 1.777) 1.777 6.171 ( 0.000 0.000 -2.210) 2.210 6.481 ( 0.000 0.000 -6.911) 6.911 7.192 ( 0.000 0.000 -16.761) 16.761 11.488 ( 0.000 0.000 1.519) 1.519 11.582 ( 0.000 0.000 -3.801) 3.801 11.627 ( 0.000 0.000 -4.148) 4.148 11.652 ( 0.000 0.000 2.132) 2.132 11.657 ( 0.000 0.000 -1.692) 1.692 11.813 ( 0.000 0.000 -0.110) 0.110 11.847 ( 0.000 0.000 -0.799) 0.799 11.973 ( 0.000 0.000 -5.843) 5.843 15.881 ( 0.000 0.000 0.437) 0.437 15.886 ( 0.000 0.000 0.986) 0.986 15.944 ( 0.000 0.000 0.974) 0.974 16.000 ( 0.000 0.000 0.186) 0.186 16.088 ( 0.000 0.000 -0.258) 0.258 16.094 ( 0.000 0.000 0.505) 0.505 16.101 ( 0.000 0.000 2.448) 2.448 16.146 ( 0.000 0.000 3.313) 3.313 16.174 ( 0.000 0.000 3.309) 3.309 16.310 ( 0.000 0.000 -1.131) 1.131 16.335 ( 0.000 0.000 2.734) 2.734 16.472 ( 0.000 0.000 -1.621) 1.621 26.479 ( 0.000 0.000 0.463) 0.463 26.485 ( 0.000 0.000 0.233) 0.233 26.511 ( 0.000 0.000 0.721) 0.721 26.523 ( 0.000 0.000 0.278) 0.278 28.770 ( 0.000 0.000 3.173) 3.173 28.895 ( 0.000 0.000 3.259) 3.259 29.219 ( 0.000 0.000 -3.480) 3.480 29.274 ( 0.000 0.000 0.182) 0.182 29.348 ( 0.000 0.000 0.607) 0.607 29.520 ( 0.000 0.000 -2.986) 2.986 29.606 ( 0.000 0.000 1.208) 1.208 29.851 ( 0.000 0.000 -0.859) 0.859 29.871 ( 0.000 0.000 0.173) 0.173 30.234 ( 0.000 0.000 -6.839) 6.839 30.514 ( 0.000 0.000 1.511) 1.511 30.773 ( 0.000 0.000 -4.371) 4.371======================= Grid point 71 (26/60) =======================q-point: ( 0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( 2.524 0.000 23.699) 23.833 1.364 ( 12.198 0.000 20.520) 23.872 1.558 ( 0.395 0.000 -10.293) 10.300 1.655 ( -3.086 0.000 -1.712) 3.529 1.727 ( -16.195 0.000 1.215) 16.240 2.005 ( -3.527 0.000 -3.343) 4.860 2.203 ( 0.069 0.000 -15.434) 15.434 2.282 ( -10.677 0.000 0.904) 10.715 2.367 ( 24.819 0.000 34.497) 42.498 2.475 ( 2.628 0.000 -6.245) 6.775 2.502 ( 4.251 0.000 -10.646) 11.463 2.742 ( 6.792 0.000 0.407) 6.804 2.768 ( 4.236 0.000 -5.398) 6.862 2.912 ( -1.126 0.000 -7.918) 7.998 2.990 ( 3.562 0.000 4.403) 5.663 3.043 ( -3.739 0.000 -3.991) 5.469 3.110 ( 0.855 0.000 -1.735) 1.935 3.198 ( 0.672 0.000 8.053) 8.081 3.256 ( 4.939 0.000 2.208) 5.410 3.282 ( -0.820 0.000 -0.859) 1.188 3.384 ( 3.734 0.000 -3.638) 5.213 3.433 ( -2.604 0.000 -1.404) 2.958 3.490 ( -0.589 0.000 -2.004) 2.089 3.545 ( -0.893 0.000 -3.628) 3.737 3.641 ( -2.797 0.000 -2.370) 3.666 3.679 ( -0.169 0.000 -2.192) 2.198 3.777 ( -1.700 0.000 0.182) 1.710 3.779 ( -11.881 0.000 8.594) 14.663 3.795 ( -5.060 0.000 -4.370) 6.685 3.880 ( 0.520 0.000 -4.699) 4.728 4.016 ( 3.735 0.000 -5.090) 6.313 4.067 ( 3.148 0.000 -1.290) 3.402 4.104 ( 6.016 0.000 -1.567) 6.217 4.170 ( 1.345 0.000 0.610) 1.477 4.215 ( 2.038 0.000 0.291) 2.059 4.231 ( -2.832 0.000 -0.698) 2.917 4.327 ( -9.925 0.000 8.375) 12.987 4.409 ( -6.562 0.000 3.474) 7.425 4.525 ( 0.590 0.000 4.089) 4.131 4.573 ( 0.950 0.000 4.774) 4.867 4.590 ( -1.837 0.000 -1.750) 2.537 4.754 ( -5.792 0.000 1.474) 5.976 4.767 ( 4.095 0.000 -1.123) 4.246 4.804 ( 0.146 0.000 1.569) 1.576 4.904 ( -2.327 0.000 -0.144) 2.331 4.978 ( -3.461 0.000 -2.474) 4.254 5.041 ( 2.376 0.000 2.870) 3.725 5.114 ( -5.398 0.000 -2.974) 6.163 5.230 ( -0.489 0.000 2.580) 2.626 5.320 ( -4.175 0.000 1.842) 4.563 5.385 ( 0.660 0.000 -0.973) 1.175 5.400 ( -0.151 0.000 -0.084) 0.173 5.486 ( 1.662 0.000 -0.734) 1.817 5.546 ( -0.786 0.000 -0.483) 0.922 5.722 ( 6.833 0.000 1.605) 7.019 5.824 ( 11.955 0.000 -1.456) 12.044 6.076 ( 4.713 0.000 4.930) 6.820 6.189 ( 7.006 0.000 -2.549) 7.455 6.532 ( 3.501 0.000 -13.581) 14.025 7.010 ( -14.388 0.000 -15.403) 21.077 11.537 ( 4.106 0.000 1.212) 4.281 11.547 ( -1.187 0.000 -2.495) 2.763 11.602 ( -3.289 0.000 1.764) 3.733 11.685 ( 2.297 0.000 -1.566) 2.780 11.707 ( 5.044 0.000 -5.039) 7.130 11.766 ( -3.905 0.000 0.081) 3.906 11.821 ( -2.284 0.000 -0.918) 2.462 11.931 ( -3.611 0.000 -5.881) 6.901 15.880 ( 0.478 0.000 1.159) 1.253 15.909 ( 0.372 0.000 1.060) 1.123 15.948 ( 0.451 0.000 1.112) 1.200 15.986 ( -1.005 0.000 0.981) 1.404 16.093 ( 0.776 0.000 0.067) 0.779 16.108 ( 0.350 0.000 0.113) 0.367 16.139 ( 2.960 0.000 1.256) 3.216 16.169 ( 1.895 0.000 3.085) 3.621 16.200 ( 2.051 0.000 2.532) 3.258 16.283 ( -2.343 0.000 -0.858) 2.495 16.327 ( -0.139 0.000 2.067) 2.072 16.440 ( -2.658 0.000 -0.572) 2.719 26.481 ( 0.210 0.000 0.475) 0.519 26.491 ( 0.423 0.000 0.208) 0.471 26.504 ( -0.481 0.000 0.636) 0.797 26.518 ( -0.408 0.000 0.224) 0.466 28.865 ( 7.114 0.000 0.388) 7.125 28.948 ( 4.324 0.000 2.828) 5.166 29.177 ( -3.520 0.000 -2.796) 4.495 29.232 ( -3.880 0.000 -0.617) 3.929 29.365 ( 1.469 0.000 0.426) 1.529 29.479 ( -3.014 0.000 -1.681) 3.451 29.618 ( 1.575 0.000 2.405) 2.875 29.796 ( -4.403 0.000 0.134) 4.405 29.939 ( 5.349 0.000 -1.613) 5.587 30.189 ( -3.912 0.000 -6.138) 7.279 30.549 ( 2.921 0.000 0.625) 2.987 30.721 ( -3.896 0.000 -2.716) 4.750======================= Grid point 72 (27/60) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( -16.088 0.000 12.309) 20.257 1.341 ( 16.088 0.000 12.309) 20.257 1.581 ( -2.323 0.000 -7.213) 7.577 1.581 ( 2.323 0.000 -7.213) 7.577 1.721 ( -16.884 0.000 12.828) 21.204 1.721 ( 16.884 0.000 12.828) 21.204 2.203 ( -0.795 0.000 -11.577) 11.605 2.203 ( 0.795 0.000 -11.577) 11.605 2.522 ( -1.328 0.000 -7.975) 8.085 2.522 ( 1.328 0.000 -7.975) 8.085 2.836 ( -1.391 0.000 3.184) 3.475 2.836 ( 1.391 0.000 3.184) 3.475 2.912 ( -7.181 0.000 -4.521) 8.486 2.912 ( 7.181 0.000 -4.521) 8.486 3.007 ( -18.163 0.000 14.861) 23.467 3.007 ( 18.163 0.000 14.861) 23.467 3.076 ( -3.868 0.000 4.403) 5.861 3.076 ( 3.868 0.000 4.403) 5.861 3.295 ( -4.137 0.000 -4.261) 5.939 3.295 ( 4.137 0.000 -4.261) 5.939 3.411 ( -8.016 0.000 -13.073) 15.334 3.411 ( 8.016 0.000 -13.073) 15.334 3.548 ( -5.088 0.000 8.487) 9.896 3.548 ( 5.088 0.000 8.487) 9.896 3.548 ( -4.752 0.000 -3.752) 6.054 3.548 ( 4.752 0.000 -3.752) 6.054 3.728 ( -2.861 0.000 -0.191) 2.868 3.728 ( 2.861 0.000 -0.191) 2.868 3.793 ( -5.464 0.000 4.589) 7.136 3.793 ( 5.464 0.000 4.589) 7.136 4.080 ( -2.706 0.000 -1.122) 2.930 4.080 ( 2.706 0.000 -1.122) 2.930 4.218 ( -4.496 0.000 0.845) 4.574 4.218 ( 4.496 0.000 0.845) 4.574 4.223 ( -1.864 0.000 -3.074) 3.595 4.223 ( 1.864 0.000 -3.074) 3.595 4.275 ( -6.399 0.000 -0.580) 6.426 4.275 ( 6.399 0.000 -0.580) 6.426 4.560 ( -1.941 0.000 4.456) 4.860 4.560 ( 1.941 0.000 4.456) 4.860 4.586 ( -5.799 0.000 -0.412) 5.814 4.586 ( 5.799 0.000 -0.412) 5.814 4.847 ( -2.884 0.000 -0.694) 2.966 4.847 ( 2.884 0.000 -0.694) 2.966 4.869 ( -4.577 0.000 -1.742) 4.897 4.869 ( 4.577 0.000 -1.742) 4.897 5.071 ( -1.470 0.000 -1.702) 2.249 5.071 ( 1.470 0.000 -1.702) 2.249 5.243 ( -2.127 0.000 2.912) 3.606 5.243 ( 2.127 0.000 2.912) 3.606 5.397 ( -1.365 0.000 1.012) 1.699 5.397 ( 1.365 0.000 1.012) 1.699 5.520 ( -1.410 0.000 -0.439) 1.477 5.520 ( 1.410 0.000 -0.439) 1.477 5.858 ( -4.945 0.000 2.672) 5.621 5.858 ( 4.945 0.000 2.672) 5.621 6.258 ( -6.224 0.000 4.428) 7.639 6.258 ( 6.224 0.000 4.428) 7.639 6.681 ( -12.132 0.000 -19.423) 22.901 6.681 ( 12.132 0.000 -19.423) 22.901 11.547 ( -1.274 0.000 -0.384) 1.331 11.547 ( 1.274 0.000 -0.384) 1.331 11.651 ( -5.581 0.000 0.530) 5.606 11.651 ( 5.581 0.000 0.530) 5.606 11.755 ( -3.291 0.000 -1.180) 3.496 11.755 ( 3.291 0.000 -1.180) 3.496 11.827 ( -5.438 0.000 -5.708) 7.883 11.827 ( 5.438 0.000 -5.708) 7.883 15.898 ( -0.933 0.000 1.605) 1.856 15.898 ( 0.933 0.000 1.605) 1.856 15.964 ( -0.903 0.000 1.313) 1.594 15.964 ( 0.903 0.000 1.313) 1.594 16.107 ( -0.366 0.000 0.384) 0.531 16.107 ( 0.366 0.000 0.384) 0.531 16.211 ( -1.403 0.000 2.581) 2.938 16.211 ( 1.403 0.000 2.581) 2.938 16.214 ( -3.553 0.000 -0.060) 3.553 16.214 ( 3.553 0.000 -0.060) 3.553 16.367 ( -3.461 0.000 0.544) 3.503 16.367 ( 3.461 0.000 0.544) 3.503 26.489 ( -0.487 0.000 0.511) 0.706 26.489 ( 0.487 0.000 0.511) 0.706 26.506 ( -0.586 0.000 0.181) 0.613 26.506 ( 0.586 0.000 0.181) 0.613 29.008 ( -3.327 0.000 0.198) 3.333 29.008 ( 3.327 0.000 0.198) 3.333 29.129 ( -3.111 0.000 -1.331) 3.383 29.129 ( 3.111 0.000 -1.331) 3.383 29.412 ( -2.735 0.000 -0.250) 2.747 29.412 ( 2.735 0.000 -0.250) 2.747 29.689 ( -4.578 0.000 2.020) 5.004 29.689 ( 4.578 0.000 2.020) 5.004 30.073 ( -6.111 0.000 -4.235) 7.435 30.073 ( 6.111 0.000 -4.235) 7.435 30.629 ( -4.069 0.000 -0.927) 4.173 30.629 ( 4.069 0.000 -0.927) 4.173======================= Grid point 75 (28/60) =======================q-point: ( 0.00 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.229 ( 0.000 3.417 24.858) 25.092 1.244 ( 0.000 8.775 19.083) 21.004 1.679 ( 0.000 9.889 -11.145) 14.900 1.762 ( 0.000 6.017 1.719) 6.258 1.945 ( 0.000 2.419 -4.128) 4.784 2.110 ( 0.000 8.186 -7.514) 11.112 2.144 ( 0.000 -2.021 -11.681) 11.855 2.206 ( 0.000 10.514 25.742) 27.807 2.407 ( 0.000 -1.022 -5.270) 5.368 2.423 ( 0.000 -4.171 2.016) 4.633 2.576 ( 0.000 8.823 -4.819) 10.054 2.643 ( 0.000 2.755 -0.911) 2.902 2.758 ( 0.000 0.269 -3.699) 3.709 2.846 ( 0.000 -2.485 2.691) 3.663 2.965 ( 0.000 -2.244 -0.905) 2.419 2.983 ( 0.000 -9.450 7.293) 11.937 3.099 ( 0.000 -2.967 -1.388) 3.276 3.128 ( 0.000 2.875 -5.025) 5.789 3.209 ( 0.000 -0.064 1.500) 1.501 3.230 ( 0.000 1.473 -0.324) 1.509 3.384 ( 0.000 -0.316 1.453) 1.487 3.470 ( 0.000 -2.318 -0.796) 2.451 3.500 ( 0.000 -3.432 4.622) 5.757 3.550 ( 0.000 2.847 -1.768) 3.351 3.639 ( 0.000 -6.196 -3.741) 7.238 3.686 ( 0.000 2.263 -7.376) 7.715 3.744 ( 0.000 -3.804 -7.058) 8.018 3.769 ( 0.000 1.110 -0.885) 1.420 3.808 ( 0.000 -7.692 -8.647) 11.573 3.968 ( 0.000 6.152 -3.318) 6.990 4.069 ( 0.000 8.612 5.884) 10.430 4.077 ( 0.000 1.435 1.073) 1.792 4.112 ( 0.000 5.710 -6.881) 8.941 4.165 ( 0.000 0.007 0.262) 0.262 4.182 ( 0.000 -6.900 1.269) 7.016 4.265 ( 0.000 5.598 0.911) 5.671 4.386 ( 0.000 -1.652 2.669) 3.139 4.515 ( 0.000 -2.014 1.599) 2.572 4.553 ( 0.000 -0.120 3.265) 3.267 4.588 ( 0.000 2.822 0.352) 2.844 4.719 ( 0.000 1.134 -2.321) 2.583 4.735 ( 0.000 6.372 10.667) 12.425 4.889 ( 0.000 5.628 6.221) 8.389 4.899 ( 0.000 -2.986 -0.654) 3.057 4.908 ( 0.000 0.368 3.347) 3.367 4.954 ( 0.000 1.899 8.742) 8.945 4.980 ( 0.000 1.299 -1.328) 1.858 5.085 ( 0.000 -9.489 2.031) 9.704 5.247 ( 0.000 -2.989 5.225) 6.019 5.304 ( 0.000 -0.775 -2.242) 2.372 5.390 ( 0.000 -4.089 -2.006) 4.555 5.441 ( 0.000 -1.725 -0.043) 1.726 5.476 ( 0.000 4.595 -1.445) 4.816 5.577 ( 0.000 0.839 -3.454) 3.554 5.657 ( 0.000 1.127 -3.214) 3.406 5.664 ( 0.000 9.218 -7.544) 11.912 5.952 ( 0.000 -0.755 -0.400) 0.855 6.139 ( 0.000 -3.177 -1.021) 3.337 6.466 ( 0.000 -0.738 -5.180) 5.232 7.100 ( 0.000 -8.164 -14.863) 16.958 11.499 ( 0.000 1.012 1.192) 1.564 11.573 ( 0.000 -0.775 -3.338) 3.427 11.609 ( 0.000 -1.382 -3.131) 3.422 11.640 ( 0.000 -0.269 1.731) 1.752 11.647 ( 0.000 -0.925 -1.454) 1.723 11.846 ( 0.000 2.740 -1.462) 3.105 11.869 ( 0.000 1.914 -1.803) 2.630 11.944 ( 0.000 -2.729 -5.465) 6.108 15.887 ( 0.000 0.500 0.641) 0.813 15.890 ( 0.000 0.374 0.956) 1.026 15.922 ( 0.000 -0.953 0.835) 1.267 15.959 ( 0.000 -2.885 -0.076) 2.886 16.069 ( 0.000 -2.109 1.594) 2.644 16.111 ( 0.000 0.447 0.992) 1.088 16.119 ( 0.000 1.192 1.495) 1.912 16.148 ( 0.000 1.204 1.724) 2.102 16.235 ( 0.000 4.216 2.116) 4.717 16.292 ( 0.000 -1.423 1.198) 1.860 16.349 ( 0.000 0.963 1.094) 1.457 16.461 ( 0.000 -1.128 -1.321) 1.737 26.480 ( 0.000 0.110 0.456) 0.469 26.486 ( 0.000 0.069 0.254) 0.264 26.510 ( 0.000 -0.020 0.684) 0.685 26.520 ( 0.000 -0.193 0.285) 0.344 28.776 ( 0.000 0.539 3.000) 3.048 28.877 ( 0.000 -1.735 2.812) 3.304 29.194 ( 0.000 -1.816 -2.301) 2.931 29.217 ( 0.000 -4.154 0.083) 4.155 29.291 ( 0.000 -4.204 0.891) 4.298 29.470 ( 0.000 -4.343 -0.578) 4.381 29.620 ( 0.000 -0.646 1.052) 1.234 29.649 ( 0.000 -8.406 5.608) 10.105 30.095 ( 0.000 10.533 -6.856) 12.568 30.222 ( 0.000 0.869 -7.997) 8.044 30.603 ( 0.000 6.707 0.533) 6.728 30.829 ( 0.000 3.738 -4.786) 6.073======================= Grid point 76 (29/60) =======================q-point: ( 0.25 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.260 ( 4.945 12.954 18.053) 22.763 1.406 ( 13.077 3.781 20.380) 24.509 1.663 ( -0.466 8.650 -6.828) 11.030 1.753 ( -2.694 9.525 -4.432) 10.845 1.783 ( -11.726 5.230 3.466) 13.299 2.083 ( -1.983 4.301 -2.000) 5.141 2.233 ( 2.318 3.720 -11.524) 12.330 2.279 ( -8.082 -0.969 0.313) 8.146 2.415 ( 9.638 -1.893 6.457) 11.755 2.463 ( 6.513 1.602 3.426) 7.532 2.531 ( -0.060 4.678 -4.679) 6.617 2.679 ( -0.609 -4.384 0.907) 4.518 2.730 ( 5.214 -1.184 -1.653) 5.597 2.873 ( 1.055 -0.493 -3.847) 4.019 2.982 ( 0.332 -5.842 1.467) 6.033 3.041 ( 2.844 -2.895 2.060) 4.552 3.129 ( -0.295 -0.049 -4.268) 4.279 3.169 ( 1.787 0.147 -0.452) 1.849 3.188 ( 6.958 1.382 2.082) 7.393 3.326 ( -5.187 -3.243 0.688) 6.156 3.395 ( 0.964 0.814 -0.097) 1.265 3.406 ( 3.537 0.578 -3.210) 4.811 3.477 ( -1.208 0.217 0.881) 1.511 3.577 ( -6.451 0.354 -7.393) 9.818 3.597 ( -2.873 -2.478 -4.318) 5.748 3.650 ( 5.657 0.990 2.742) 6.364 3.729 ( -1.502 -1.827 2.026) 3.115 3.837 ( 3.845 -2.745 -4.831) 6.757 3.887 ( -5.088 4.688 -1.332) 7.045 3.899 ( 2.421 -1.790 -2.780) 4.097 3.999 ( -2.776 7.435 2.582) 8.346 4.096 ( -2.318 2.461 0.196) 3.387 4.110 ( 2.374 -3.598 2.383) 4.925 4.181 ( 1.001 3.111 -1.138) 3.461 4.209 ( -0.974 2.753 -1.168) 3.146 4.222 ( 2.411 0.505 -0.218) 2.473 4.381 ( -5.996 1.252 4.995) 7.904 4.457 ( -6.944 3.396 4.974) 9.192 4.488 ( -4.775 -2.007 0.347) 5.191 4.552 ( -0.025 1.264 5.385) 5.531 4.635 ( 2.407 1.414 -1.003) 2.966 4.765 ( 2.376 1.267 -0.414) 2.724 4.799 ( -3.853 1.455 1.976) 4.568 4.845 ( -2.675 1.569 1.127) 3.300 4.921 ( -2.615 2.757 -1.587) 4.118 4.979 ( -0.077 -7.312 4.521) 8.597 4.992 ( -2.485 1.365 -1.052) 3.024 5.109 ( 0.776 -0.350 0.997) 1.311 5.176 ( -1.799 -2.365 0.129) 2.974 5.253 ( -3.599 -1.467 5.135) 6.440 5.370 ( 1.459 -1.752 -2.218) 3.181 5.447 ( 0.558 -1.339 -0.301) 1.482 5.527 ( 0.424 -1.253 0.695) 1.495 5.545 ( -0.762 7.159 -4.001) 8.236 5.728 ( 5.768 0.336 0.936) 5.853 5.870 ( 9.280 3.670 -2.193) 10.217 6.060 ( 5.200 -2.002 1.518) 5.775 6.174 ( 7.688 -1.433 -2.132) 8.106 6.491 ( 1.717 -3.248 -10.993) 11.590 6.936 ( -13.323 -6.774 -14.366) 20.730 11.542 ( 1.750 0.414 -0.734) 1.942 11.555 ( 1.766 0.903 -0.702) 2.104 11.604 ( -2.346 0.690 1.002) 2.642 11.672 ( 3.400 -2.259 -3.141) 5.150 11.685 ( 3.045 -0.227 -1.762) 3.525 11.806 ( -2.904 2.775 -2.088) 4.527 11.842 ( -2.451 1.796 -1.852) 3.558 11.905 ( -3.305 -2.432 -5.562) 6.912 15.876 ( 0.107 -0.519 1.758) 1.836 15.904 ( 0.121 -0.583 1.066) 1.221 15.920 ( -0.188 -1.295 0.930) 1.605 15.953 ( -0.679 -2.245 0.663) 2.438 16.095 ( 1.843 -0.754 0.380) 2.028 16.119 ( 0.533 0.536 1.608) 1.776 16.149 ( 2.501 0.803 0.500) 2.674 16.165 ( 1.502 0.645 1.858) 2.474 16.235 ( -0.361 1.925 2.327) 3.041 16.283 ( -1.059 0.189 0.271) 1.109 16.332 ( -0.641 0.376 1.555) 1.723 16.430 ( -2.575 -1.100 -0.271) 2.813 26.482 ( 0.199 0.109 0.464) 0.516 26.491 ( 0.381 0.001 0.224) 0.442 26.504 ( -0.485 -0.008 0.608) 0.778 26.516 ( -0.404 -0.201 0.240) 0.512 28.865 ( 6.851 0.021 0.681) 6.885 28.928 ( 4.267 -1.873 2.468) 5.273 29.150 ( -3.581 -2.367 -1.180) 4.452 29.181 ( -3.420 -3.440 -1.425) 5.056 29.309 ( 1.692 -4.021 1.693) 4.679 29.451 ( -3.181 -2.579 0.300) 4.106 29.561 ( 0.387 -5.191 2.106) 5.615 29.685 ( -0.873 -5.965 2.472) 6.516 30.117 ( 2.687 10.842 -5.410) 12.411 30.237 ( 0.203 5.002 -6.497) 8.201 30.603 ( 0.587 4.284 -0.503) 4.353 30.762 ( -5.081 2.838 -3.716) 6.905======================= Grid point 77 (30/60) =======================q-point: (-0.50 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( -12.374 10.904 12.464) 20.673 1.463 ( 12.374 10.904 12.464) 20.673 1.696 ( -2.345 9.240 -6.410) 11.488 1.696 ( 2.345 9.240 -6.410) 11.488 1.788 ( -18.524 5.468 13.770) 23.720 1.788 ( 18.524 5.468 13.770) 23.720 2.247 ( -1.960 4.080 -11.080) 11.970 2.247 ( 1.960 4.080 -11.080) 11.970 2.489 ( -2.690 -2.634 -6.895) 7.856 2.489 ( 2.690 -2.634 -6.895) 7.856 2.663 ( -2.671 -10.230 0.443) 10.582 2.663 ( 2.671 -10.230 0.443) 10.582 2.903 ( -4.076 -3.087 0.801) 5.175 2.903 ( 4.076 -3.087 0.801) 5.175 3.039 ( -9.164 4.410 4.452) 11.102 3.039 ( 9.164 4.410 4.452) 11.102 3.116 ( -3.959 -1.695 0.025) 4.307 3.116 ( 3.959 -1.695 0.025) 4.307 3.284 ( -4.499 -3.313 -4.264) 7.028 3.284 ( 4.499 -3.313 -4.264) 7.028 3.390 ( -2.412 3.831 -4.831) 6.620 3.390 ( 2.412 3.831 -4.831) 6.620 3.502 ( -4.419 -0.075 -1.379) 4.629 3.502 ( 4.419 -0.075 -1.379) 4.629 3.617 ( -8.171 1.005 3.637) 9.000 3.617 ( 8.171 1.005 3.637) 9.000 3.786 ( -6.241 1.672 2.144) 6.808 3.786 ( 6.241 1.672 2.144) 6.808 3.871 ( -4.852 6.420 4.499) 9.219 3.871 ( 4.852 6.420 4.499) 9.219 4.029 ( -3.058 -0.870 -1.236) 3.411 4.029 ( 3.058 -0.870 -1.236) 3.411 4.176 ( -5.485 -3.375 -0.831) 6.494 4.176 ( 5.485 -3.375 -0.831) 6.494 4.238 ( -5.150 0.973 2.202) 5.685 4.238 ( 5.150 0.973 2.202) 5.685 4.317 ( -5.247 1.894 -2.467) 6.100 4.317 ( 5.247 1.894 -2.467) 6.100 4.492 ( -4.999 0.229 1.210) 5.148 4.492 ( 4.999 0.229 1.210) 5.148 4.721 ( -3.726 6.472 1.301) 7.580 4.721 ( 3.726 6.472 1.301) 7.580 4.813 ( -4.558 -3.064 0.650) 5.530 4.813 ( 4.558 -3.064 0.650) 5.530 4.885 ( -4.651 0.428 -0.941) 4.764 4.885 ( 4.651 0.428 -0.941) 4.764 5.059 ( -4.152 -1.898 -1.550) 4.821 5.059 ( 4.152 -1.898 -1.550) 4.821 5.181 ( -1.992 -2.381 4.348) 5.342 5.181 ( 1.992 -2.381 4.348) 5.342 5.439 ( -2.483 1.401 -0.196) 2.858 5.439 ( 2.483 1.401 -0.196) 2.858 5.524 ( -0.923 1.624 -1.441) 2.359 5.524 ( 0.923 1.624 -1.441) 2.359 5.861 ( -5.323 -0.039 2.936) 6.080 5.861 ( 5.323 -0.039 2.936) 6.080 6.255 ( -5.790 -0.100 2.731) 6.403 6.255 ( 5.790 -0.100 2.731) 6.403 6.616 ( -12.252 -5.926 -18.098) 22.645 6.616 ( 12.252 -5.926 -18.098) 22.645 11.558 ( -1.434 1.055 -0.744) 1.930 11.558 ( 1.434 1.055 -0.744) 1.930 11.658 ( -4.747 0.575 0.247) 4.788 11.658 ( 4.747 0.575 0.247) 4.788 11.768 ( -3.858 1.015 -1.929) 4.431 11.768 ( 3.858 1.015 -1.929) 4.431 11.816 ( -4.043 -0.957 -5.551) 6.934 11.816 ( 4.043 -0.957 -5.551) 6.934 15.889 ( -0.951 -0.928 2.034) 2.430 15.889 ( 0.951 -0.928 2.034) 2.430 15.931 ( -0.983 -1.984 0.984) 2.423 15.931 ( 0.983 -1.984 0.984) 2.423 16.121 ( -0.470 0.877 0.532) 1.128 16.121 ( 0.470 0.877 0.532) 1.128 16.204 ( -1.559 -0.445 1.556) 2.247 16.204 ( 1.559 -0.445 1.556) 2.247 16.227 ( -3.179 0.947 1.000) 3.465 16.227 ( 3.179 0.947 1.000) 3.465 16.364 ( -2.920 -0.487 0.905) 3.096 16.364 ( 2.920 -0.487 0.905) 3.096 26.490 ( -0.461 0.073 0.490) 0.677 26.490 ( 0.461 0.073 0.490) 0.677 26.504 ( -0.536 -0.156 0.200) 0.593 26.504 ( 0.536 -0.156 0.200) 0.593 29.004 ( -2.609 -0.469 0.526) 2.702 29.004 ( 2.609 -0.469 0.526) 2.702 29.086 ( -2.490 -3.463 -1.208) 4.433 29.086 ( 2.490 -3.463 -1.208) 4.433 29.366 ( -3.453 -3.218 1.596) 4.983 29.366 ( 3.453 -3.218 1.596) 4.983 29.622 ( -3.785 -5.486 1.197) 6.772 29.622 ( 3.785 -5.486 1.197) 6.772 30.198 ( -3.520 10.037 -4.289) 11.469 30.198 ( 3.520 10.037 -4.289) 11.469 30.653 ( -3.979 1.590 -2.516) 4.969 30.653 ( 3.979 1.590 -2.516) 4.969======================= Grid point 80 (31/60) =======================q-point: ( 0.00 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.409 ( 0.000 13.487 13.887) 19.358 1.478 ( 0.000 13.049 9.328) 16.040 1.844 ( 0.000 3.169 -8.993) 9.535 1.856 ( 0.000 -0.016 2.486) 2.486 2.030 ( 0.000 3.696 -1.117) 3.861 2.098 ( 0.000 0.396 -9.217) 9.226 2.242 ( 0.000 -4.599 2.118) 5.063 2.295 ( 0.000 -1.954 2.969) 3.554 2.315 ( 0.000 6.989 -4.174) 8.140 2.542 ( 0.000 10.850 1.112) 10.907 2.677 ( 0.000 0.711 4.290) 4.348 2.746 ( 0.000 -0.078 -6.434) 6.435 2.785 ( 0.000 2.024 -7.793) 8.052 2.824 ( 0.000 -3.754 2.544) 4.535 2.856 ( 0.000 -2.177 0.622) 2.264 2.910 ( 0.000 4.887 0.156) 4.889 2.993 ( 0.000 -4.869 -0.585) 4.904 3.165 ( 0.000 -3.293 2.230) 3.977 3.169 ( 0.000 -0.141 -0.183) 0.231 3.271 ( 0.000 1.537 10.309) 10.423 3.304 ( 0.000 -6.639 -3.059) 7.310 3.379 ( 0.000 -6.072 6.623) 8.985 3.508 ( 0.000 4.129 -0.466) 4.155 3.559 ( 0.000 0.064 -7.462) 7.462 3.600 ( 0.000 -2.734 -5.401) 6.053 3.685 ( 0.000 -1.951 -5.172) 5.528 3.706 ( 0.000 3.504 -1.308) 3.740 3.740 ( 0.000 2.684 -3.087) 4.090 3.839 ( 0.000 2.627 -2.296) 3.489 4.057 ( 0.000 -1.792 2.599) 3.157 4.060 ( 0.000 -2.855 2.384) 3.720 4.099 ( 0.000 6.270 -0.285) 6.277 4.162 ( 0.000 0.306 3.560) 3.573 4.244 ( 0.000 3.806 -5.333) 6.551 4.265 ( 0.000 7.401 3.396) 8.143 4.358 ( 0.000 3.867 -0.316) 3.880 4.370 ( 0.000 0.120 3.358) 3.360 4.463 ( 0.000 -3.940 3.271) 5.121 4.590 ( 0.000 2.353 -1.144) 2.617 4.614 ( 0.000 -0.525 -3.162) 3.205 4.625 ( 0.000 -9.818 8.147) 12.758 4.803 ( 0.000 -0.238 3.793) 3.801 4.809 ( 0.000 -5.252 -1.441) 5.446 4.837 ( 0.000 2.485 6.500) 6.959 4.974 ( 0.000 1.563 2.768) 3.179 4.997 ( 0.000 0.555 -1.414) 1.519 5.083 ( 0.000 7.792 5.938) 9.797 5.127 ( 0.000 9.523 1.225) 9.602 5.211 ( 0.000 -0.750 2.844) 2.941 5.259 ( 0.000 -3.955 -2.358) 4.605 5.321 ( 0.000 -2.592 4.096) 4.847 5.409 ( 0.000 -0.335 -0.926) 0.985 5.525 ( 0.000 -0.313 -1.391) 1.425 5.532 ( 0.000 -5.370 -2.179) 5.795 5.714 ( 0.000 4.081 -6.666) 7.816 5.813 ( 0.000 4.606 -9.943) 10.958 5.919 ( 0.000 -2.178 -2.604) 3.395 6.047 ( 0.000 -5.310 1.013) 5.406 6.499 ( 0.000 4.991 -4.366) 6.631 6.894 ( 0.000 -11.151 -12.113) 16.464 11.526 ( 0.000 1.414 0.060) 1.415 11.557 ( 0.000 -0.692 -2.677) 2.765 11.584 ( 0.000 -0.765 -1.846) 1.998 11.621 ( 0.000 -1.560 -0.832) 1.768 11.668 ( 0.000 3.119 -0.368) 3.140 11.862 ( 0.000 -4.624 -4.520) 6.466 11.903 ( 0.000 2.416 -3.322) 4.108 11.914 ( 0.000 1.655 -3.352) 3.738 15.899 ( 0.000 0.447 0.871) 0.979 15.899 ( 0.000 0.575 0.777) 0.967 15.910 ( 0.000 -1.514 -0.026) 1.514 15.913 ( 0.000 -0.321 0.424) 0.532 16.031 ( 0.000 -0.954 1.044) 1.414 16.087 ( 0.000 -2.037 1.314) 2.424 16.149 ( 0.000 1.815 2.051) 2.739 16.200 ( 0.000 2.682 1.114) 2.904 16.258 ( 0.000 -1.430 1.766) 2.272 16.296 ( 0.000 1.344 1.805) 2.251 16.366 ( 0.000 0.714 0.956) 1.193 16.424 ( 0.000 -2.375 -0.520) 2.432 26.483 ( 0.000 0.163 0.434) 0.463 26.487 ( 0.000 0.023 0.318) 0.319 26.511 ( 0.000 0.047 0.587) 0.589 26.516 ( 0.000 -0.208 0.336) 0.395 28.788 ( 0.000 0.592 2.313) 2.387 28.834 ( 0.000 -2.024 1.775) 2.692 29.152 ( 0.000 -1.639 1.364) 2.132 29.168 ( 0.000 -0.645 -0.074) 0.649 29.223 ( 0.000 -1.767 0.311) 1.794 29.357 ( 0.000 -6.199 -0.774) 6.247 29.523 ( 0.000 -3.681 6.735) 7.676 29.563 ( 0.000 -3.889 3.374) 5.149 30.274 ( 0.000 6.311 -10.310) 12.088 30.286 ( 0.000 4.176 -10.305) 11.119 30.738 ( 0.000 5.911 -0.224) 5.915 30.873 ( 0.000 0.065 -3.102) 3.102======================= Grid point 81 (32/60) =======================q-point: ( 0.25 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( 7.985 8.328 13.585) 17.823 1.590 ( 9.741 16.223 10.100) 21.449 1.810 ( 1.090 2.102 -2.128) 3.184 1.914 ( -4.508 7.553 5.099) 10.167 1.988 ( -2.993 10.899 -4.714) 12.247 2.077 ( -0.028 -4.722 3.514) 5.886 2.208 ( -1.480 -4.312 -1.276) 4.734 2.266 ( 0.782 -5.910 -0.910) 6.031 2.408 ( 4.756 6.630 -5.816) 10.020 2.563 ( -1.533 7.228 -3.600) 8.219 2.613 ( -2.940 3.938 -0.282) 4.923 2.638 ( -8.037 3.393 -5.628) 10.381 2.774 ( -0.562 -0.344 -1.227) 1.393 2.811 ( 0.375 -8.966 -1.837) 9.160 2.899 ( 6.495 0.087 2.525) 6.969 2.960 ( 2.729 -2.663 -1.971) 4.292 3.068 ( 4.404 -4.070 -3.188) 6.791 3.157 ( 1.351 0.827 -1.727) 2.343 3.232 ( 5.909 -2.234 7.443) 9.762 3.271 ( -6.247 -0.574 -2.875) 6.901 3.329 ( 2.487 -6.631 -5.622) 9.043 3.391 ( 2.491 -3.108 -0.316) 3.995 3.521 ( -1.377 2.706 0.088) 3.037 3.562 ( 4.491 1.324 0.490) 4.708 3.620 ( 0.045 1.520 -8.849) 8.979 3.687 ( -4.237 3.941 -1.674) 6.024 3.754 ( 3.605 -1.470 -0.518) 3.928 3.757 ( 1.139 2.965 4.696) 5.669 3.847 ( 3.529 -2.008 -2.496) 4.766 4.000 ( -1.977 4.398 1.782) 5.140 4.033 ( -0.687 -1.476 -0.510) 1.706 4.123 ( 0.733 1.826 3.324) 3.863 4.186 ( -0.180 4.839 0.947) 4.934 4.233 ( -4.578 0.853 2.399) 5.239 4.252 ( -1.376 3.266 3.529) 5.001 4.267 ( -3.036 0.426 0.630) 3.130 4.377 ( 0.423 2.124 2.708) 3.468 4.482 ( -0.752 -3.777 -2.053) 4.364 4.541 ( -6.296 4.493 8.233) 11.297 4.570 ( -0.491 1.126 0.509) 1.330 4.659 ( -3.195 -0.784 3.089) 4.513 4.714 ( 1.945 -3.623 -0.762) 4.182 4.783 ( -1.562 -1.363 1.926) 2.830 4.829 ( 1.677 -3.343 2.242) 4.361 4.894 ( -3.125 0.787 0.438) 3.252 4.967 ( -2.002 -3.086 1.444) 3.952 5.007 ( -8.763 2.949 1.754) 9.411 5.132 ( -1.743 3.981 0.845) 4.428 5.188 ( -1.472 1.072 0.925) 2.043 5.264 ( -2.180 2.391 3.592) 4.834 5.338 ( 5.850 -1.504 -0.222) 6.044 5.403 ( 0.727 -2.409 0.126) 2.520 5.516 ( 3.964 1.854 -0.341) 4.389 5.686 ( -0.712 5.572 -4.726) 7.341 5.726 ( 4.251 -0.794 -0.828) 4.403 5.929 ( -1.629 -1.708 2.030) 3.113 5.987 ( 13.706 -1.678 -8.918) 16.438 6.129 ( 9.182 -3.194 -4.024) 10.522 6.459 ( -3.628 1.672 -6.183) 7.361 6.761 ( -11.214 -9.564 -12.291) 19.191 11.554 ( 1.137 0.818 -1.928) 2.383 11.581 ( 3.634 1.302 -0.406) 3.881 11.625 ( 2.393 -1.190 -1.722) 3.179 11.640 ( -1.077 1.217 -0.422) 1.679 11.677 ( 3.859 0.250 -2.258) 4.479 11.832 ( -2.454 -3.804 -4.832) 6.622 11.863 ( -3.271 1.891 -3.505) 5.153 11.880 ( -3.063 1.441 -3.398) 4.797 15.870 ( -0.853 0.199 1.830) 2.029 15.889 ( -0.808 -0.720 1.296) 1.689 15.902 ( -0.507 -0.533 0.381) 0.829 15.920 ( -0.545 -1.116 0.585) 1.372 16.076 ( 3.395 -0.360 0.897) 3.530 16.116 ( 2.250 -1.266 1.530) 3.001 16.156 ( 0.536 1.304 1.539) 2.087 16.212 ( 1.003 2.188 1.058) 2.630 16.239 ( -1.607 -0.435 1.648) 2.343 16.299 ( 0.058 0.710 1.290) 1.474 16.337 ( -2.069 0.146 1.342) 2.471 16.393 ( -2.348 -2.315 0.246) 3.306 26.485 ( 0.189 0.174 0.426) 0.498 26.491 ( 0.298 -0.049 0.280) 0.411 26.504 ( -0.485 0.073 0.524) 0.718 26.511 ( -0.411 -0.228 0.297) 0.556 28.862 ( 5.915 -0.334 1.131) 6.032 28.884 ( 4.105 -1.933 1.506) 4.780 29.097 ( -3.768 -1.842 1.026) 4.317 29.129 ( -3.901 -2.080 -0.772) 4.488 29.254 ( 2.624 -0.485 1.535) 3.079 29.387 ( 1.187 -3.892 -0.081) 4.070 29.457 ( -2.769 -3.195 3.991) 5.814 29.562 ( -1.717 -5.843 3.205) 6.882 30.312 ( 4.306 7.676 -7.971) 11.874 30.363 ( 4.910 5.627 -8.075) 10.998 30.691 ( -3.600 3.869 -1.440) 5.478 30.795 ( -6.190 -0.101 -3.466) 7.095======================= Grid point 82 (33/60) =======================q-point: (-0.50 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.711 ( -9.261 10.736 11.339) 18.155 1.711 ( 9.261 10.736 11.339) 18.155 1.838 ( -6.527 3.930 5.532) 9.416 1.838 ( 6.527 3.930 5.532) 9.416 1.949 ( -9.122 9.197 3.725) 13.479 1.949 ( 9.122 9.197 3.725) 13.479 2.272 ( -2.518 -4.932 -2.920) 6.260 2.272 ( 2.518 -4.932 -2.920) 6.260 2.462 ( -3.894 1.336 -5.283) 6.697 2.462 ( 3.894 1.336 -5.283) 6.697 2.578 ( -2.792 5.020 -4.338) 7.198 2.578 ( 2.792 5.020 -4.338) 7.198 2.799 ( -3.336 -6.827 -2.695) 8.063 2.799 ( 3.336 -6.827 -2.695) 8.063 3.003 ( -3.074 -7.229 -2.419) 8.220 3.003 ( 3.074 -7.229 -2.419) 8.220 3.165 ( -1.231 4.422 -8.373) 9.548 3.165 ( 1.231 4.422 -8.373) 9.548 3.263 ( -11.294 2.828 -1.292) 11.714 3.263 ( 11.294 2.828 -1.292) 11.714 3.375 ( -5.922 -3.866 -0.775) 7.114 3.375 ( 5.922 -3.866 -0.775) 7.114 3.532 ( -9.458 -0.297 -0.823) 9.499 3.532 ( 9.458 -0.297 -0.823) 9.499 3.645 ( -2.643 0.948 -2.110) 3.512 3.645 ( 2.643 0.948 -2.110) 3.512 3.760 ( -4.171 -1.100 4.941) 6.559 3.760 ( 4.171 -1.100 4.941) 6.559 3.983 ( -5.830 3.112 2.132) 6.944 3.983 ( 5.830 3.112 2.132) 6.944 4.068 ( -4.279 0.754 2.859) 5.201 4.068 ( 4.279 0.754 2.859) 5.201 4.146 ( -5.066 4.528 3.429) 7.611 4.146 ( 5.066 4.528 3.429) 7.611 4.277 ( -3.443 2.594 1.553) 4.582 4.277 ( 3.443 2.594 1.553) 4.582 4.332 ( -3.344 -0.072 1.616) 3.715 4.332 ( 3.344 -0.072 1.616) 3.715 4.542 ( -3.726 1.406 -0.879) 4.078 4.542 ( 3.726 1.406 -0.879) 4.078 4.706 ( -3.630 -5.152 4.408) 7.691 4.706 ( 3.630 -5.152 4.408) 7.691 4.809 ( -4.936 0.322 0.014) 4.947 4.809 ( 4.936 0.322 0.014) 4.947 4.881 ( -3.968 0.771 1.001) 4.164 4.881 ( 3.968 0.771 1.001) 4.164 5.002 ( -6.478 -2.852 0.797) 7.123 5.002 ( 6.478 -2.852 0.797) 7.123 5.217 ( -2.261 4.896 2.495) 5.942 5.217 ( 2.261 4.896 2.495) 5.942 5.416 ( -0.518 -2.880 1.034) 3.103 5.416 ( 0.518 -2.880 1.034) 3.103 5.613 ( -4.829 6.262 -3.950) 8.839 5.613 ( 4.829 6.262 -3.950) 8.839 5.839 ( -5.139 -2.497 2.345) 6.176 5.839 ( 5.139 -2.497 2.345) 6.176 6.263 ( -6.886 1.254 -1.819) 7.232 6.263 ( 6.886 1.254 -1.819) 7.232 6.464 ( -12.287 -7.998 -14.599) 20.690 6.464 ( 12.287 -7.998 -14.599) 20.690 11.590 ( -2.139 2.023 -1.306) 3.221 11.590 ( 2.139 2.023 -1.306) 3.221 11.663 ( -1.600 -0.474 -0.537) 1.753 11.663 ( 1.600 -0.474 -0.537) 1.753 11.784 ( -4.289 0.420 -3.482) 5.541 11.784 ( 4.289 0.420 -3.482) 5.541 11.797 ( -0.400 -0.528 -4.666) 4.713 11.797 ( 0.400 -0.528 -4.666) 4.713 15.870 ( -0.706 -0.385 2.009) 2.164 15.870 ( 0.706 -0.385 2.009) 2.164 15.902 ( -0.647 -1.148 0.918) 1.606 15.902 ( 0.647 -1.148 0.918) 1.606 16.137 ( -1.324 0.853 0.979) 1.854 16.137 ( 1.324 0.853 0.979) 1.854 16.189 ( -2.487 -1.118 2.008) 3.386 16.189 ( 2.487 -1.118 2.008) 3.386 16.256 ( -2.820 1.832 0.633) 3.422 16.256 ( 2.820 1.832 0.633) 3.422 16.341 ( -1.923 -1.703 1.240) 2.852 16.341 ( 1.923 -1.703 1.240) 2.852 26.492 ( -0.424 0.165 0.429) 0.626 26.492 ( 0.424 0.165 0.429) 0.626 26.501 ( -0.452 -0.210 0.256) 0.561 26.501 ( 0.452 -0.210 0.256) 0.561 28.985 ( -2.163 -1.118 0.925) 2.605 28.985 ( 2.163 -1.118 0.925) 2.605 29.019 ( -3.422 -2.666 -0.221) 4.344 29.019 ( 3.422 -2.666 -0.221) 4.344 29.329 ( -3.949 0.249 2.177) 4.516 29.329 ( 3.949 0.249 2.177) 4.516 29.495 ( -3.644 -6.324 1.335) 7.420 29.495 ( 3.644 -6.324 1.335) 7.420 30.415 ( -2.537 10.049 -4.709) 11.384 30.415 ( 2.537 10.049 -4.709) 11.384 30.662 ( -3.506 -1.318 -4.428) 5.800 30.662 ( 3.506 -1.318 -4.428) 5.800======================= Grid point 85 (34/60) =======================q-point: ( 0.00 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( 0.000 -13.777 1.131) 13.824 1.716 ( 0.000 13.777 1.131) 13.824 1.734 ( 0.000 -10.273 2.124) 10.490 1.734 ( 0.000 10.273 2.124) 10.490 2.077 ( 0.000 -2.798 -0.978) 2.964 2.077 ( 0.000 2.798 -0.978) 2.964 2.229 ( 0.000 -2.507 4.489) 5.141 2.229 ( 0.000 2.507 4.489) 5.141 2.561 ( 0.000 -12.322 -7.865) 14.618 2.561 ( 0.000 12.322 -7.865) 14.618 2.695 ( 0.000 -1.207 -0.995) 1.564 2.695 ( 0.000 1.207 -0.995) 1.564 2.798 ( 0.000 -0.365 -4.105) 4.122 2.798 ( 0.000 0.365 -4.105) 4.122 2.863 ( 0.000 -2.418 -2.951) 3.815 2.863 ( 0.000 2.418 -2.951) 3.815 3.098 ( 0.000 -5.006 6.360) 8.094 3.098 ( 0.000 5.006 6.360) 8.094 3.182 ( 0.000 -3.479 -3.467) 4.912 3.182 ( 0.000 3.479 -3.467) 4.912 3.277 ( 0.000 -1.804 9.230) 9.405 3.277 ( 0.000 1.804 9.230) 9.405 3.536 ( 0.000 -1.859 -10.240) 10.407 3.536 ( 0.000 1.859 -10.240) 10.407 3.641 ( 0.000 -3.475 -2.989) 4.583 3.641 ( 0.000 3.475 -2.989) 4.583 3.794 ( 0.000 -0.981 -3.407) 3.545 3.794 ( 0.000 0.981 -3.407) 3.545 3.935 ( 0.000 -9.573 8.591) 12.863 3.935 ( 0.000 9.573 8.591) 12.863 4.109 ( 0.000 -5.447 4.532) 7.086 4.109 ( 0.000 5.447 4.532) 7.086 4.228 ( 0.000 -5.518 3.583) 6.579 4.228 ( 0.000 5.518 3.583) 6.579 4.322 ( 0.000 -1.953 3.571) 4.070 4.322 ( 0.000 1.953 3.571) 4.070 4.413 ( 0.000 -1.612 3.137) 3.527 4.413 ( 0.000 1.612 3.137) 3.527 4.557 ( 0.000 -4.153 -5.121) 6.593 4.557 ( 0.000 4.153 -5.121) 6.593 4.705 ( 0.000 -4.938 -2.400) 5.490 4.705 ( 0.000 4.938 -2.400) 5.490 4.832 ( 0.000 -1.984 3.592) 4.103 4.832 ( 0.000 1.984 3.592) 4.103 4.999 ( 0.000 -0.671 1.126) 1.310 4.999 ( 0.000 0.671 1.126) 1.310 5.193 ( 0.000 -2.015 1.500) 2.513 5.193 ( 0.000 2.015 1.500) 2.513 5.238 ( 0.000 -5.081 1.424) 5.277 5.238 ( 0.000 5.081 1.424) 5.277 5.349 ( 0.000 -9.868 1.368) 9.963 5.349 ( 0.000 9.868 1.368) 9.963 5.472 ( 0.000 -3.482 -0.245) 3.491 5.472 ( 0.000 3.482 -0.245) 3.491 5.804 ( 0.000 -4.125 -10.469) 11.252 5.804 ( 0.000 4.125 -10.469) 11.252 5.943 ( 0.000 -4.290 1.482) 4.539 5.943 ( 0.000 4.290 1.482) 4.539 6.666 ( 0.000 -10.423 -8.560) 13.488 6.666 ( 0.000 10.423 -8.560) 13.488 11.546 ( 0.000 -0.493 -2.010) 2.070 11.546 ( 0.000 0.493 -2.010) 2.070 11.589 ( 0.000 -1.253 -0.398) 1.315 11.589 ( 0.000 1.253 -0.398) 1.315 11.757 ( 0.000 -5.139 -2.778) 5.841 11.757 ( 0.000 5.139 -2.778) 5.841 11.932 ( 0.000 -0.224 -4.074) 4.080 11.932 ( 0.000 0.224 -4.074) 4.080 15.901 ( 0.000 -0.403 0.243) 0.470 15.901 ( 0.000 0.403 0.243) 0.470 15.905 ( 0.000 -0.105 0.857) 0.864 15.905 ( 0.000 0.105 0.857) 0.864 16.043 ( 0.000 -1.837 0.755) 1.986 16.043 ( 0.000 1.837 0.755) 1.986 16.193 ( 0.000 -2.234 2.519) 3.368 16.193 ( 0.000 2.234 2.519) 3.368 16.284 ( 0.000 -2.310 0.987) 2.513 16.284 ( 0.000 2.310 0.987) 2.513 16.383 ( 0.000 -1.203 0.615) 1.351 16.383 ( 0.000 1.203 0.615) 1.351 26.486 ( 0.000 -0.111 0.389) 0.405 26.486 ( 0.000 0.111 0.389) 0.405 26.512 ( 0.000 -0.138 0.454) 0.474 26.512 ( 0.000 0.138 0.454) 0.474 28.803 ( 0.000 -1.019 1.564) 1.867 28.803 ( 0.000 1.019 1.564) 1.867 29.150 ( 0.000 -0.990 1.800) 2.054 29.150 ( 0.000 0.990 1.800) 2.054 29.245 ( 0.000 -3.874 -0.509) 3.908 29.245 ( 0.000 3.874 -0.509) 3.908 29.501 ( 0.000 -1.418 4.943) 5.142 29.501 ( 0.000 1.418 4.943) 5.142 30.339 ( 0.000 -0.061 -11.238) 11.238 30.339 ( 0.000 0.061 -11.238) 11.238 30.835 ( 0.000 -3.454 -1.118) 3.631 30.835 ( 0.000 3.454 -1.118) 3.631======================= Grid point 87 (35/60) =======================q-point: ( 0.25 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( 3.971 -9.387 4.379) 11.094 1.710 ( 3.971 9.387 4.379) 11.094 1.889 ( 6.581 -11.910 5.062) 14.518 1.889 ( 6.581 11.910 5.062) 14.518 2.085 ( -2.813 -7.508 5.006) 9.453 2.085 ( -2.813 7.508 5.006) 9.453 2.159 ( -0.583 -4.844 -2.426) 5.449 2.159 ( -0.583 4.844 -2.426) 5.449 2.589 ( 1.672 -10.531 -7.260) 12.899 2.589 ( 1.672 10.531 -7.260) 12.899 2.669 ( -7.641 -3.600 0.338) 8.453 2.669 ( -7.641 3.600 0.338) 8.453 2.789 ( -1.877 -5.902 -3.220) 6.980 2.789 ( -1.877 5.902 -3.220) 6.980 2.827 ( 3.721 -4.608 -4.668) 7.542 2.827 ( 3.721 4.608 -4.668) 7.542 3.136 ( 5.635 -6.330 6.589) 10.735 3.136 ( 5.635 6.330 6.589) 10.735 3.192 ( 1.658 -3.359 -5.506) 6.659 3.192 ( 1.658 3.359 -5.506) 6.659 3.313 ( -0.454 -3.463 -4.093) 5.380 3.313 ( -0.454 3.463 -4.093) 5.380 3.561 ( 2.773 -1.497 -0.694) 3.227 3.561 ( 2.773 1.497 -0.694) 3.227 3.680 ( 1.461 -3.660 -4.425) 5.926 3.680 ( 1.461 3.660 -4.425) 5.926 3.778 ( -3.572 -3.219 -2.636) 5.483 3.778 ( -3.572 3.219 -2.636) 5.483 3.925 ( 1.714 -7.356 4.892) 8.999 3.925 ( 1.714 7.356 4.892) 8.999 4.147 ( -0.968 -3.797 2.462) 4.628 4.147 ( -0.968 3.797 2.462) 4.628 4.189 ( 2.368 -6.957 7.813) 10.726 4.189 ( 2.368 6.957 7.813) 10.726 4.313 ( -2.470 -3.540 3.337) 5.456 4.313 ( -2.470 3.540 3.337) 5.456 4.372 ( -2.799 -4.079 1.969) 5.324 4.372 ( -2.799 4.079 1.969) 5.324 4.615 ( 2.204 -1.357 -1.699) 3.096 4.615 ( 2.204 1.357 -1.699) 3.096 4.651 ( -4.079 -2.160 -0.866) 4.696 4.651 ( -4.079 2.160 -0.866) 4.696 4.785 ( -1.664 -1.434 4.274) 4.805 4.785 ( -1.664 1.434 4.274) 4.805 4.905 ( -4.438 -1.392 1.115) 4.783 4.905 ( -4.438 1.392 1.115) 4.783 5.096 ( -6.848 -4.336 0.773) 8.142 5.096 ( -6.848 4.336 0.773) 8.142 5.281 ( 2.977 -2.642 1.282) 4.182 5.281 ( 2.977 2.642 1.282) 4.182 5.329 ( 1.157 -3.291 3.966) 5.282 5.329 ( 1.157 3.291 3.966) 5.282 5.641 ( 6.662 -7.464 -3.398) 10.566 5.641 ( 6.662 7.464 -3.398) 10.566 5.798 ( -0.652 -5.795 -3.469) 6.785 5.798 ( -0.652 5.795 -3.469) 6.785 6.048 ( 9.860 -4.191 -4.756) 11.722 6.048 ( 9.860 4.191 -4.756) 11.722 6.570 ( -8.338 -8.270 -8.757) 14.649 6.570 ( -8.338 8.270 -8.757) 14.649 11.577 ( 2.337 -1.311 -2.194) 3.463 11.577 ( 2.337 1.311 -2.194) 3.463 11.629 ( 2.939 -1.447 -0.208) 3.282 11.629 ( 2.939 1.447 -0.208) 3.282 11.740 ( -0.857 -4.510 -3.572) 5.817 11.740 ( -0.857 4.510 -3.572) 5.817 11.892 ( -3.517 -0.463 -4.075) 5.403 11.892 ( -3.517 0.463 -4.075) 5.403 15.880 ( -0.801 -0.549 1.404) 1.707 15.880 ( -0.801 0.549 1.404) 1.707 15.900 ( -0.889 -0.619 0.541) 1.211 15.900 ( -0.889 0.619 0.541) 1.211 16.087 ( 3.300 -1.235 1.054) 3.678 16.087 ( 3.300 1.235 1.054) 3.678 16.193 ( -0.278 -2.001 2.169) 2.965 16.193 ( -0.278 2.001 2.169) 2.965 16.283 ( 0.022 -2.392 0.940) 2.571 16.283 ( 0.022 2.392 0.940) 2.571 16.351 ( -2.487 -1.401 0.881) 2.987 16.351 ( -2.487 1.401 0.881) 2.987 26.489 ( 0.219 -0.153 0.361) 0.449 26.489 ( 0.219 0.153 0.361) 0.449 26.507 ( -0.445 -0.170 0.404) 0.625 26.507 ( -0.445 0.170 0.404) 0.625 28.860 ( 4.659 -0.391 1.148) 4.814 28.860 ( 4.659 0.391 1.148) 4.814 29.091 ( -4.210 -1.176 0.957) 4.475 29.091 ( -4.210 1.176 0.957) 4.475 29.295 ( 3.421 -3.985 0.497) 5.275 29.295 ( 3.421 3.985 0.497) 5.275 29.464 ( -3.100 -3.172 3.640) 5.737 29.464 ( -3.100 3.172 3.640) 5.737 30.412 ( 6.190 -1.431 -8.979) 11.000 30.412 ( 6.190 1.431 -8.979) 11.000 30.761 ( -6.316 -2.860 -2.046) 7.229 30.761 ( -6.316 2.860 -2.046) 7.229======================= Grid point 89 (36/60) =======================q-point: (-0.50 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.852 ( -7.324 -3.306 7.540) 11.019 1.852 ( -3.347 0.564 7.540) 8.268 1.852 ( 3.347 -0.564 7.540) 8.268 1.852 ( 7.324 3.306 7.540) 11.019 2.124 ( -3.630 -7.812 3.071) 9.145 2.124 ( 0.339 -7.600 3.071) 8.204 2.124 ( -0.339 7.600 3.071) 8.204 2.124 ( 3.630 7.812 3.071) 9.145 2.577 ( -1.610 -8.511 -4.397) 9.714 2.577 ( 1.382 -8.501 -4.397) 9.670 2.577 ( -1.382 8.501 -4.397) 9.670 2.577 ( 1.610 8.511 -4.397) 9.714 2.815 ( -2.271 -9.994 -4.212) 11.080 2.815 ( 1.557 -9.960 -4.212) 10.925 2.815 ( -1.557 9.960 -4.212) 10.925 2.815 ( 2.271 9.994 -4.212) 11.080 3.244 ( -2.568 -4.181 -9.090) 10.330 3.244 ( 2.558 -4.179 -9.090) 10.327 3.244 ( -2.558 4.179 -9.090) 10.327 3.244 ( 2.568 4.181 -9.090) 10.330 3.428 ( -14.196 -7.127 1.801) 15.986 3.428 ( -2.458 -1.386 1.801) 3.348 3.428 ( 2.458 1.386 1.801) 3.348 3.428 ( 14.196 7.127 1.801) 15.986 3.710 ( -2.175 -3.855 -1.327) 4.621 3.710 ( 1.347 -3.759 -1.327) 4.208 3.710 ( -1.347 3.759 -1.327) 4.208 3.710 ( 2.175 3.855 -1.327) 4.621 4.038 ( -7.410 -2.755 2.767) 8.375 4.038 ( -7.113 2.552 2.767) 8.048 4.038 ( 7.113 -2.552 2.767) 8.048 4.038 ( 7.410 2.755 2.767) 8.375 4.275 ( -3.252 -3.839 5.460) 7.424 4.275 ( 2.042 -3.624 5.460) 6.864 4.275 ( -2.042 3.624 5.460) 6.864 4.275 ( 3.252 3.839 5.460) 7.424 4.413 ( -9.454 -9.224 2.869) 13.516 4.413 ( 9.453 -9.223 2.869) 13.516 4.413 ( -9.453 9.224 2.869) 13.516 4.413 ( 9.454 9.224 2.869) 13.516 4.741 ( -3.984 -4.808 1.055) 6.333 4.741 ( 0.642 -4.388 1.055) 4.559 4.741 ( -0.642 4.388 1.055) 4.559 4.741 ( 3.984 4.808 1.055) 6.333 4.937 ( -6.600 -3.363 0.849) 7.456 4.937 ( -0.786 -0.759 0.849) 1.384 4.937 ( 0.786 0.759 0.849) 1.384 4.937 ( 6.600 3.363 0.849) 7.456 5.331 ( -0.908 -5.287 2.175) 5.789 5.331 ( 0.706 -5.279 2.175) 5.753 5.331 ( -0.706 5.279 2.175) 5.753 5.331 ( 0.908 5.287 2.175) 5.789 5.749 ( -3.696 -6.100 -1.507) 7.290 5.749 ( 3.649 -6.093 -1.507) 7.260 5.749 ( -3.649 6.093 -1.507) 7.260 5.749 ( 3.696 6.100 -1.507) 7.290 6.324 ( -12.493 -4.622 -8.460) 15.780 6.324 ( -8.412 0.191 -8.460) 11.932 6.324 ( 8.412 -0.191 -8.460) 11.932 6.324 ( 12.493 4.622 -8.460) 15.780 11.634 ( -2.364 -2.052 -1.355) 3.411 11.634 ( 2.242 -2.017 -1.355) 3.307 11.634 ( -2.242 2.017 -1.355) 3.307 11.634 ( 2.364 2.052 -1.355) 3.411 11.791 ( -4.878 -0.064 -4.053) 6.342 11.791 ( -4.877 -0.022 -4.053) 6.341 11.791 ( 4.877 0.022 -4.053) 6.341 11.791 ( 4.878 0.064 -4.053) 6.342 15.879 ( -0.546 -1.009 1.373) 1.789 15.879 ( 0.273 -0.981 1.373) 1.709 15.879 ( -0.273 0.981 1.373) 1.709 15.879 ( 0.546 1.009 1.373) 1.789 16.161 ( -2.592 -1.328 1.666) 3.355 16.161 ( -0.856 -0.516 1.666) 1.942 16.161 ( 0.856 0.516 1.666) 1.942 16.161 ( 2.592 1.328 1.666) 3.355 16.299 ( -1.668 -2.236 0.947) 2.946 16.299 ( 1.596 -2.223 0.947) 2.896 16.299 ( -1.596 2.223 0.947) 2.896 16.299 ( 1.668 2.236 0.947) 2.946 26.496 ( -0.442 -0.209 0.343) 0.597 26.496 ( -0.147 -0.014 0.343) 0.373 26.496 ( 0.147 0.014 0.343) 0.373 26.496 ( 0.442 0.209 0.343) 0.597 28.980 ( -5.497 -0.750 0.697) 5.592 28.980 ( -5.352 0.409 0.697) 5.412 28.980 ( 5.352 -0.409 0.697) 5.412 28.980 ( 5.497 0.750 0.697) 5.592 29.380 ( -3.961 -4.411 1.722) 6.173 29.380 ( 3.188 -4.252 1.722) 5.586 29.380 ( -3.188 4.252 1.722) 5.586 29.380 ( 3.961 4.411 1.722) 6.173 30.585 ( -6.395 -5.436 -4.916) 9.727 30.585 ( -3.182 -4.675 -4.916) 7.493 30.585 ( 3.182 4.675 -4.916) 7.493 30.585 ( 6.395 5.436 -4.916) 9.727======================= Grid point 105 (37/60) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.366 ( 0.000 0.000 -5.079) 5.079 1.523 ( 0.000 0.000 -1.964) 1.964 1.540 ( 0.000 0.000 12.992) 12.992 1.822 ( 0.000 0.000 8.672) 8.672 1.863 ( 0.000 0.000 -4.700) 4.700 1.920 ( 0.000 0.000 -1.451) 1.451 2.069 ( 0.000 0.000 17.740) 17.740 2.105 ( 0.000 0.000 -14.843) 14.843 2.396 ( 0.000 0.000 -7.190) 7.190 2.454 ( 0.000 0.000 -1.997) 1.997 2.538 ( 0.000 0.000 -2.388) 2.388 2.785 ( 0.000 0.000 3.151) 3.151 2.842 ( 0.000 0.000 25.950) 25.950 2.917 ( 0.000 0.000 -4.097) 4.097 3.001 ( 0.000 0.000 8.521) 8.521 3.004 ( 0.000 0.000 4.032) 4.032 3.132 ( 0.000 0.000 0.124) 0.124 3.133 ( 0.000 0.000 -9.906) 9.906 3.194 ( 0.000 0.000 -3.869) 3.869 3.239 ( 0.000 0.000 0.574) 0.574 3.244 ( 0.000 0.000 -5.602) 5.602 3.287 ( 0.000 0.000 -2.071) 2.071 3.527 ( 0.000 0.000 -3.571) 3.571 3.535 ( 0.000 0.000 -6.209) 6.209 3.537 ( 0.000 0.000 -4.820) 4.820 3.713 ( 0.000 0.000 0.330) 0.330 3.743 ( 0.000 0.000 0.079) 0.079 3.757 ( 0.000 0.000 -3.860) 3.860 3.789 ( 0.000 0.000 -2.196) 2.196 3.868 ( 0.000 0.000 2.045) 2.045 3.942 ( 0.000 0.000 -2.767) 2.767 3.990 ( 0.000 0.000 -3.240) 3.240 4.104 ( 0.000 0.000 -3.433) 3.433 4.172 ( 0.000 0.000 11.922) 11.922 4.205 ( 0.000 0.000 1.603) 1.603 4.269 ( 0.000 0.000 -1.101) 1.101 4.387 ( 0.000 0.000 -3.258) 3.258 4.487 ( 0.000 0.000 -6.085) 6.085 4.600 ( 0.000 0.000 3.155) 3.155 4.672 ( 0.000 0.000 6.276) 6.276 4.690 ( 0.000 0.000 -0.977) 0.977 4.814 ( 0.000 0.000 1.633) 1.633 4.842 ( 0.000 0.000 2.631) 2.631 4.901 ( 0.000 0.000 -3.034) 3.034 4.962 ( 0.000 0.000 1.710) 1.710 4.974 ( 0.000 0.000 3.978) 3.978 5.193 ( 0.000 0.000 6.946) 6.946 5.268 ( 0.000 0.000 -0.761) 0.761 5.273 ( 0.000 0.000 1.465) 1.465 5.375 ( 0.000 0.000 -2.750) 2.750 5.387 ( 0.000 0.000 -4.267) 4.267 5.391 ( 0.000 0.000 -3.777) 3.777 5.446 ( 0.000 0.000 10.543) 10.543 5.457 ( 0.000 0.000 4.433) 4.433 5.558 ( 0.000 0.000 -0.026) 0.026 5.653 ( 0.000 0.000 2.057) 2.057 5.924 ( 0.000 0.000 -4.081) 4.081 6.077 ( 0.000 0.000 -6.369) 6.369 6.400 ( 0.000 0.000 -0.331) 0.331 6.806 ( 0.000 0.000 -18.864) 18.864 11.521 ( 0.000 0.000 -1.811) 1.811 11.526 ( 0.000 0.000 2.014) 2.014 11.550 ( 0.000 0.000 -2.950) 2.950 11.617 ( 0.000 0.000 -2.124) 2.124 11.702 ( 0.000 0.000 2.709) 2.709 11.813 ( 0.000 0.000 0.107) 0.107 11.830 ( 0.000 0.000 -0.714) 0.714 11.857 ( 0.000 0.000 -5.005) 5.005 15.904 ( 0.000 0.000 1.530) 1.530 15.915 ( 0.000 0.000 1.529) 1.529 15.965 ( 0.000 0.000 1.027) 1.027 15.999 ( 0.000 0.000 -0.376) 0.376 16.081 ( 0.000 0.000 -0.323) 0.323 16.097 ( 0.000 0.000 -0.335) 0.335 16.160 ( 0.000 0.000 3.072) 3.072 16.213 ( 0.000 0.000 2.860) 2.860 16.233 ( 0.000 0.000 2.131) 2.131 16.276 ( 0.000 0.000 -2.093) 2.093 16.369 ( 0.000 0.000 0.754) 0.754 16.426 ( 0.000 0.000 -2.502) 2.502 26.489 ( 0.000 0.000 0.474) 0.474 26.492 ( 0.000 0.000 0.369) 0.369 26.522 ( 0.000 0.000 0.308) 0.308 26.525 ( 0.000 0.000 0.000) 0.000 28.853 ( 0.000 0.000 4.679) 4.679 28.969 ( 0.000 0.000 3.182) 3.182 29.129 ( 0.000 0.000 -4.245) 4.245 29.223 ( 0.000 0.000 -4.424) 4.424 29.367 ( 0.000 0.000 1.246) 1.246 29.457 ( 0.000 0.000 -2.948) 2.948 29.679 ( 0.000 0.000 4.899) 4.899 29.829 ( 0.000 0.000 -1.544) 1.544 29.893 ( 0.000 0.000 2.132) 2.132 30.088 ( 0.000 0.000 -6.747) 6.747 30.551 ( 0.000 0.000 2.118) 2.118 30.682 ( 0.000 0.000 -4.133) 4.133======================= Grid point 106 (38/60) =======================q-point: ( 0.25 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.385 ( 1.683 0.000 -4.757) 5.046 1.504 ( -2.099 0.000 -4.632) 5.086 1.554 ( 2.522 0.000 16.986) 17.173 1.825 ( 1.824 0.000 5.488) 5.783 1.886 ( 0.681 0.000 -6.939) 6.973 1.923 ( -10.466 0.000 17.676) 20.542 1.961 ( 3.989 0.000 3.637) 5.398 2.200 ( 6.803 0.000 -14.651) 16.153 2.359 ( -7.284 0.000 3.849) 8.239 2.393 ( -1.539 0.000 -1.972) 2.501 2.656 ( 4.841 0.000 -6.641) 8.218 2.659 ( -1.005 0.000 -4.470) 4.582 2.857 ( -5.414 0.000 1.976) 5.764 2.880 ( -3.732 0.000 -8.746) 9.509 2.987 ( 2.837 0.000 -1.587) 3.250 3.089 ( 3.868 0.000 5.358) 6.608 3.111 ( -3.457 0.000 -4.660) 5.802 3.133 ( 1.004 0.000 1.380) 1.706 3.202 ( 8.799 0.000 8.126) 11.978 3.211 ( 1.250 0.000 -3.533) 3.747 3.354 ( 3.147 0.000 -0.772) 3.241 3.444 ( -2.185 0.000 0.637) 2.276 3.539 ( 10.737 0.000 8.828) 13.901 3.559 ( 3.160 0.000 0.165) 3.164 3.573 ( -4.188 0.000 -5.518) 6.928 3.615 ( 0.497 0.000 -1.017) 1.132 3.703 ( -2.916 0.000 -1.931) 3.497 3.745 ( -1.797 0.000 -3.262) 3.725 3.855 ( 6.505 0.000 -2.985) 7.157 3.941 ( 4.721 0.000 -1.344) 4.909 3.945 ( -2.853 0.000 6.920) 7.485 4.007 ( 1.801 0.000 -3.430) 3.874 4.167 ( 5.850 0.000 -1.372) 6.009 4.198 ( 2.363 0.000 9.555) 9.843 4.219 ( -0.231 0.000 0.276) 0.360 4.231 ( -3.099 0.000 0.117) 3.101 4.266 ( -5.265 0.000 -6.038) 8.011 4.515 ( -3.514 0.000 -3.291) 4.814 4.607 ( 0.962 0.000 3.586) 3.713 4.628 ( -13.215 0.000 5.537) 14.328 4.673 ( -0.398 0.000 3.891) 3.911 4.742 ( 4.009 0.000 -0.380) 4.027 4.783 ( -3.670 0.000 -1.363) 3.915 4.824 ( -5.047 0.000 2.871) 5.806 4.878 ( -1.740 0.000 -2.382) 2.950 4.939 ( -6.649 0.000 -1.199) 6.756 5.094 ( -3.263 0.000 1.724) 3.691 5.159 ( -7.446 0.000 6.490) 9.877 5.274 ( 0.478 0.000 2.238) 2.288 5.349 ( 4.699 0.000 -0.020) 4.699 5.365 ( -2.275 0.000 0.300) 2.295 5.465 ( 2.092 0.000 7.074) 7.377 5.473 ( 1.336 0.000 0.971) 1.651 5.544 ( -1.242 0.000 -0.311) 1.281 5.738 ( 15.000 0.000 -7.914) 16.960 5.784 ( 8.158 0.000 3.630) 8.929 6.044 ( 2.270 0.000 -6.190) 6.593 6.068 ( 6.407 0.000 -9.544) 11.495 6.368 ( -2.943 0.000 -0.370) 2.966 6.680 ( -10.357 0.000 -14.949) 18.186 11.518 ( 0.731 0.000 -0.189) 0.755 11.567 ( 3.557 0.000 1.706) 3.945 11.606 ( 3.900 0.000 -4.066) 5.634 11.648 ( 2.614 0.000 -1.923) 3.245 11.651 ( -3.849 0.000 2.709) 4.707 11.770 ( -3.507 0.000 0.392) 3.529 11.801 ( -2.585 0.000 -0.957) 2.756 11.813 ( -3.701 0.000 -5.158) 6.349 15.912 ( 0.762 0.000 1.628) 1.798 15.933 ( 0.659 0.000 0.985) 1.185 15.972 ( 0.647 0.000 1.125) 1.298 15.999 ( -0.105 0.000 0.170) 0.200 16.090 ( 0.877 0.000 -0.132) 0.887 16.105 ( 0.420 0.000 -0.377) 0.564 16.173 ( 1.190 0.000 1.965) 2.298 16.232 ( 1.429 0.000 2.667) 3.026 16.250 ( 1.577 0.000 1.995) 2.543 16.257 ( -1.649 0.000 -1.620) 2.312 16.353 ( -1.075 0.000 0.578) 1.221 16.409 ( -1.555 0.000 -2.056) 2.578 26.491 ( 0.208 0.000 0.475) 0.519 26.497 ( 0.346 0.000 0.263) 0.435 26.514 ( -0.570 0.000 0.319) 0.653 26.520 ( -0.438 0.000 -0.000) 0.438 28.903 ( 4.165 0.000 3.000) 5.133 29.010 ( 3.469 0.000 2.529) 4.293 29.099 ( -2.697 0.000 -3.509) 4.426 29.191 ( -2.798 0.000 -3.168) 4.227 29.379 ( 1.011 0.000 0.954) 1.391 29.442 ( -1.241 0.000 -1.852) 2.229 29.694 ( 1.367 0.000 4.325) 4.536 29.800 ( -2.346 0.000 -0.214) 2.356 29.923 ( 2.527 0.000 0.361) 2.553 30.060 ( -2.360 0.000 -5.757) 6.222 30.563 ( 1.096 0.000 0.877) 1.404 30.653 ( -2.266 0.000 -3.345) 4.040======================= Grid point 107 (39/60) =======================q-point: (-0.50 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.440 ( -3.096 0.000 -4.749) 5.670 1.440 ( 3.096 0.000 -4.749) 5.670 1.687 ( -9.277 0.000 19.191) 21.316 1.687 ( 9.277 0.000 19.191) 21.316 1.877 ( -1.660 0.000 -6.293) 6.509 1.877 ( 1.660 0.000 -6.293) 6.509 2.121 ( -10.493 0.000 11.964) 15.913 2.121 ( 10.493 0.000 11.964) 15.913 2.341 ( -4.634 0.000 -9.523) 10.591 2.341 ( 4.634 0.000 -9.523) 10.591 2.747 ( -4.689 0.000 -5.264) 7.050 2.747 ( 4.689 0.000 -5.264) 7.050 2.760 ( -6.565 0.000 -10.372) 12.275 2.760 ( 6.565 0.000 -10.372) 12.275 3.021 ( -2.980 0.000 -13.310) 13.639 3.021 ( 2.980 0.000 -13.310) 13.639 3.154 ( -0.850 0.000 2.398) 2.544 3.154 ( 0.850 0.000 2.398) 2.544 3.258 ( -4.323 0.000 1.545) 4.591 3.258 ( 4.323 0.000 1.545) 4.591 3.488 ( -2.354 0.000 -2.310) 3.298 3.488 ( 2.354 0.000 -2.310) 3.298 3.490 ( -9.013 0.000 13.142) 15.935 3.490 ( 9.013 0.000 13.142) 15.935 3.688 ( -3.588 0.000 -3.462) 4.986 3.688 ( 3.588 0.000 -3.462) 4.986 3.702 ( -6.936 0.000 7.895) 10.509 3.702 ( 6.936 0.000 7.895) 10.509 3.887 ( -5.672 0.000 5.094) 7.624 3.887 ( 5.672 0.000 5.094) 7.624 4.034 ( -1.968 0.000 -2.358) 3.071 4.034 ( 1.968 0.000 -2.358) 3.071 4.182 ( -1.084 0.000 -0.758) 1.323 4.182 ( 1.084 0.000 -0.758) 1.323 4.240 ( -7.528 0.000 -1.261) 7.632 4.240 ( 7.528 0.000 -1.261) 7.632 4.340 ( -10.363 0.000 4.739) 11.395 4.340 ( 10.363 0.000 4.739) 11.395 4.537 ( -11.829 0.000 -3.271) 12.273 4.537 ( 11.829 0.000 -3.271) 12.273 4.644 ( -1.974 0.000 3.426) 3.954 4.644 ( 1.974 0.000 3.426) 3.954 4.827 ( -3.112 0.000 -1.167) 3.323 4.827 ( 3.112 0.000 -1.167) 3.323 4.870 ( -3.184 0.000 2.374) 3.971 4.870 ( 3.184 0.000 2.374) 3.971 5.043 ( -2.395 0.000 -1.140) 2.653 5.043 ( 2.395 0.000 -1.140) 2.653 5.307 ( -2.426 0.000 2.711) 3.638 5.307 ( 2.426 0.000 2.711) 3.638 5.453 ( -3.512 0.000 5.748) 6.737 5.453 ( 3.512 0.000 5.748) 6.737 5.509 ( -1.747 0.000 -0.575) 1.839 5.509 ( 1.747 0.000 -0.575) 1.839 5.915 ( -2.932 0.000 2.366) 3.767 5.915 ( 2.932 0.000 2.366) 3.767 6.118 ( -8.870 0.000 -18.589) 20.597 6.118 ( 8.870 0.000 -18.589) 20.597 6.421 ( -10.918 0.000 -2.980) 11.318 6.421 ( 10.918 0.000 -2.980) 11.318 11.563 ( -3.282 0.000 1.817) 3.751 11.563 ( 3.282 0.000 1.817) 3.751 11.666 ( -4.580 0.000 0.880) 4.664 11.666 ( 4.580 0.000 0.880) 4.664 11.711 ( -5.032 0.000 -5.068) 7.142 11.711 ( 5.032 0.000 -5.068) 7.142 11.728 ( -3.355 0.000 -1.304) 3.599 11.728 ( 3.355 0.000 -1.304) 3.599 15.930 ( -0.715 0.000 1.300) 1.484 15.930 ( 0.715 0.000 1.300) 1.484 15.989 ( -0.733 0.000 0.998) 1.238 15.989 ( 0.733 0.000 0.998) 1.238 16.107 ( -0.338 0.000 -0.212) 0.399 16.107 ( 0.338 0.000 -0.212) 0.399 16.212 ( -2.158 0.000 -0.172) 2.165 16.212 ( 2.158 0.000 -0.172) 2.165 16.265 ( -1.087 0.000 2.396) 2.631 16.265 ( 1.087 0.000 2.396) 2.631 16.361 ( -2.230 0.000 -0.935) 2.418 16.361 ( 2.230 0.000 -0.935) 2.418 26.499 ( -0.442 0.000 0.435) 0.620 26.499 ( 0.442 0.000 0.435) 0.620 26.509 ( -0.467 0.000 0.042) 0.469 26.509 ( 0.467 0.000 0.042) 0.469 29.010 ( -4.791 0.000 0.048) 4.792 29.010 ( 4.791 0.000 0.048) 4.792 29.107 ( -4.435 0.000 -0.750) 4.498 29.107 ( 4.435 0.000 -0.750) 4.498 29.409 ( -1.558 0.000 -0.082) 1.560 29.409 ( 1.558 0.000 -0.082) 1.560 29.740 ( -2.692 0.000 2.411) 3.614 29.740 ( 2.692 0.000 2.411) 3.614 29.993 ( -3.418 0.000 -3.054) 4.583 29.993 ( 3.418 0.000 -3.054) 4.583 30.600 ( -2.195 0.000 -1.484) 2.650 30.600 ( 2.195 0.000 -1.484) 2.650======================= Grid point 110 (40/60) =======================q-point: ( 0.00 0.17 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( 0.000 9.479 -2.000) 9.687 1.585 ( 0.000 5.528 9.349) 10.861 1.638 ( 0.000 9.591 4.002) 10.392 1.791 ( 0.000 -4.340 7.176) 8.386 1.918 ( 0.000 3.915 -4.936) 6.300 1.950 ( 0.000 6.109 -2.855) 6.744 2.071 ( 0.000 1.493 11.385) 11.482 2.155 ( 0.000 3.040 -10.205) 10.648 2.430 ( 0.000 2.640 -3.844) 4.663 2.476 ( 0.000 -0.494 -2.274) 2.327 2.552 ( 0.000 1.354 -3.064) 3.350 2.665 ( 0.000 -4.648 5.194) 6.970 2.789 ( 0.000 0.152 4.135) 4.138 2.943 ( 0.000 -1.114 8.140) 8.215 2.981 ( 0.000 -2.061 -0.912) 2.254 3.068 ( 0.000 -4.671 -0.908) 4.759 3.072 ( 0.000 -7.419 0.897) 7.473 3.188 ( 0.000 4.219 -4.044) 5.844 3.216 ( 0.000 -2.816 0.049) 2.817 3.237 ( 0.000 7.455 -0.632) 7.481 3.332 ( 0.000 10.636 10.848) 15.192 3.335 ( 0.000 -10.147 -8.179) 13.033 3.404 ( 0.000 6.959 -9.725) 11.958 3.509 ( 0.000 -5.101 -6.214) 8.040 3.573 ( 0.000 1.109 -0.330) 1.157 3.610 ( 0.000 -6.194 -4.571) 7.698 3.678 ( 0.000 -0.116 0.895) 0.902 3.711 ( 0.000 -1.921 -1.201) 2.265 3.767 ( 0.000 2.956 0.789) 3.059 3.961 ( 0.000 5.239 2.834) 5.957 4.024 ( 0.000 3.089 -0.102) 3.091 4.083 ( 0.000 3.569 0.555) 3.612 4.157 ( 0.000 2.477 -1.646) 2.974 4.183 ( 0.000 -3.801 1.437) 4.063 4.248 ( 0.000 5.610 -2.245) 6.043 4.260 ( 0.000 3.682 9.004) 9.727 4.388 ( 0.000 0.823 -2.686) 2.809 4.483 ( 0.000 -0.822 -3.189) 3.293 4.587 ( 0.000 -1.472 -0.422) 1.531 4.636 ( 0.000 -1.500 1.310) 1.992 4.665 ( 0.000 -0.821 0.118) 0.829 4.838 ( 0.000 -2.327 -2.151) 3.168 4.896 ( 0.000 2.733 -1.077) 2.938 4.929 ( 0.000 6.191 1.083) 6.285 4.964 ( 0.000 0.252 3.274) 3.284 4.990 ( 0.000 2.163 3.896) 4.456 5.133 ( 0.000 -3.934 3.910) 5.547 5.255 ( 0.000 -1.710 -2.586) 3.100 5.298 ( 0.000 -1.338 5.017) 5.192 5.357 ( 0.000 0.314 -0.048) 0.317 5.366 ( 0.000 -2.506 12.509) 12.757 5.398 ( 0.000 -1.117 -3.814) 3.974 5.427 ( 0.000 1.997 -0.673) 2.107 5.521 ( 0.000 3.933 -2.958) 4.921 5.547 ( 0.000 -0.792 -0.739) 1.083 5.656 ( 0.000 0.119 1.964) 1.967 5.919 ( 0.000 -0.260 -2.151) 2.167 6.079 ( 0.000 -0.142 -4.403) 4.405 6.387 ( 0.000 -0.950 -1.755) 1.995 6.738 ( 0.000 -6.207 -18.267) 19.293 11.516 ( 0.000 -0.445 -1.822) 1.875 11.521 ( 0.000 -0.439 0.127) 0.457 11.553 ( 0.000 0.353 -1.083) 1.139 11.613 ( 0.000 -0.379 -1.806) 1.846 11.687 ( 0.000 -1.071 2.628) 2.838 11.826 ( 0.000 1.172 -0.456) 1.258 11.829 ( 0.000 -1.328 -3.433) 3.681 11.846 ( 0.000 0.076 -2.336) 2.337 15.910 ( 0.000 0.435 1.328) 1.398 15.918 ( 0.000 0.212 1.422) 1.438 15.940 ( 0.000 -1.386 0.904) 1.655 15.957 ( 0.000 -2.774 -0.148) 2.778 16.094 ( 0.000 -1.234 0.552) 1.352 16.112 ( 0.000 1.791 -0.584) 1.883 16.159 ( 0.000 0.645 2.208) 2.300 16.191 ( 0.000 -1.231 1.718) 2.114 16.277 ( 0.000 3.318 1.749) 3.750 16.300 ( 0.000 1.129 -0.076) 1.132 16.364 ( 0.000 -0.240 0.240) 0.339 16.416 ( 0.000 -1.052 -2.641) 2.843 26.490 ( 0.000 0.084 0.454) 0.462 26.493 ( 0.000 0.069 0.352) 0.359 26.521 ( 0.000 -0.067 0.298) 0.306 26.524 ( 0.000 -0.140 0.042) 0.146 28.850 ( 0.000 -0.391 3.886) 3.905 28.932 ( 0.000 -3.166 1.907) 3.696 29.137 ( 0.000 1.031 -2.277) 2.499 29.188 ( 0.000 -2.023 -2.494) 3.211 29.323 ( 0.000 -4.002 2.044) 4.494 29.439 ( 0.000 -3.261 -2.625) 4.187 29.671 ( 0.000 -0.744 3.735) 3.808 29.752 ( 0.000 -5.283 3.458) 6.313 29.967 ( 0.000 5.299 -4.470) 6.932 30.066 ( 0.000 -0.558 -6.558) 6.581 30.622 ( 0.000 5.671 1.491) 5.864 30.739 ( 0.000 4.354 -3.897) 5.844======================= Grid point 111 (41/60) =======================q-point: ( 0.25 0.17 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.521 ( 2.284 11.450 -3.563) 12.207 1.609 ( 3.719 5.871 13.462) 15.150 1.635 ( -1.710 11.398 -2.994) 11.908 1.837 ( 4.026 -2.873 12.809) 13.731 1.917 ( 0.597 6.891 1.378) 7.053 1.986 ( 2.196 6.451 -4.461) 8.144 2.057 ( -2.474 6.006 6.440) 9.147 2.222 ( 5.251 1.755 -11.249) 12.537 2.356 ( -2.283 -0.241 1.631) 2.816 2.433 ( -7.690 3.869 0.542) 8.625 2.580 ( -2.875 -3.950 -3.844) 6.217 2.631 ( -0.140 -5.335 -3.035) 6.140 2.759 ( 2.820 -2.694 -0.691) 3.961 2.877 ( -3.610 -1.080 -1.932) 4.235 2.983 ( -3.743 -8.067 -4.194) 9.833 2.992 ( 1.543 -0.893 3.007) 3.495 3.100 ( 0.943 -2.073 0.283) 2.295 3.144 ( -1.821 -4.864 -8.143) 9.658 3.218 ( -0.332 3.819 -6.907) 7.899 3.322 ( 0.510 0.217 1.724) 1.811 3.339 ( 0.571 1.576 8.132) 8.303 3.373 ( 1.445 -4.233 -5.579) 7.150 3.477 ( -4.718 -0.495 -1.942) 5.126 3.508 ( -1.047 -5.114 -1.774) 5.513 3.533 ( 9.086 0.090 3.364) 9.689 3.679 ( 9.333 5.913 5.045) 12.146 3.762 ( 3.033 1.367 0.900) 3.446 3.781 ( 7.701 -0.973 -2.553) 8.172 3.872 ( 1.234 8.248 0.118) 8.341 3.912 ( 4.196 0.292 1.000) 4.323 4.053 ( -3.306 4.421 1.585) 5.743 4.065 ( -1.732 5.247 -1.181) 5.650 4.151 ( 3.185 -2.106 0.708) 3.884 4.189 ( 0.036 0.506 0.714) 0.876 4.233 ( -1.222 1.707 2.982) 3.646 4.237 ( -0.566 2.096 5.154) 5.592 4.384 ( -2.284 5.582 -2.310) 6.458 4.486 ( -0.240 -2.742 -1.868) 3.327 4.578 ( -3.428 0.795 1.804) 3.955 4.618 ( -2.808 -1.396 1.826) 3.629 4.695 ( -7.730 1.498 5.080) 9.371 4.712 ( 4.093 -1.392 -2.723) 5.110 4.826 ( -3.448 1.446 -2.319) 4.400 4.878 ( -1.753 2.833 3.111) 4.558 4.906 ( -3.722 4.644 0.492) 5.972 4.959 ( -5.525 2.037 -2.680) 6.470 5.066 ( -5.658 -2.549 3.689) 7.219 5.156 ( -6.169 -0.145 3.346) 7.020 5.215 ( 2.009 -4.760 2.236) 5.630 5.329 ( -2.568 -1.774 0.748) 3.210 5.380 ( 2.776 -0.020 4.488) 5.277 5.455 ( 2.193 -1.186 3.523) 4.316 5.491 ( 1.207 3.071 -0.046) 3.300 5.529 ( -0.286 -1.120 -0.278) 1.189 5.771 ( 13.854 1.744 -7.909) 16.048 5.777 ( 8.814 -0.400 2.044) 9.057 6.009 ( 2.847 -3.067 -4.594) 6.214 6.075 ( 3.687 0.450 -6.907) 7.843 6.352 ( -3.251 -1.360 -1.653) 3.893 6.618 ( -9.890 -5.689 -14.594) 18.525 11.517 ( 0.980 -0.044 -0.422) 1.068 11.569 ( 3.609 -0.120 0.243) 3.619 11.600 ( 3.517 -0.331 -2.391) 4.265 11.638 ( -1.043 -0.361 0.794) 1.359 11.652 ( 0.619 -0.196 -0.238) 0.692 11.779 ( -3.616 0.123 -1.467) 3.904 11.797 ( -3.157 -0.719 -3.414) 4.705 11.810 ( -2.844 0.662 -1.475) 3.272 15.914 ( 0.479 0.127 1.670) 1.742 15.926 ( 0.556 -1.073 0.944) 1.534 15.940 ( -0.040 -1.752 0.889) 1.965 15.961 ( -0.085 -2.363 0.123) 2.368 16.104 ( 1.249 0.399 0.501) 1.404 16.135 ( 0.729 2.274 -0.559) 2.453 16.164 ( 1.380 -0.306 1.766) 2.262 16.204 ( 0.961 -1.278 1.188) 1.992 16.281 ( 0.129 1.920 1.965) 2.751 16.286 ( -1.023 1.583 0.357) 1.918 16.349 ( -0.826 -0.241 0.108) 0.867 16.402 ( -1.342 -0.879 -2.077) 2.624 26.492 ( 0.190 0.071 0.449) 0.493 26.497 ( 0.304 0.015 0.262) 0.402 26.514 ( -0.555 -0.048 0.308) 0.637 26.519 ( -0.430 -0.138 0.045) 0.454 28.902 ( 4.276 -0.287 2.499) 4.961 28.974 ( 3.502 -3.151 1.333) 4.896 29.104 ( -2.930 0.620 -1.768) 3.478 29.155 ( -2.855 -2.486 -1.802) 4.193 29.340 ( 1.472 -3.343 1.602) 3.989 29.429 ( -1.273 -1.852 -2.042) 3.037 29.627 ( -1.272 -5.005 3.759) 6.387 29.728 ( -3.074 -5.212 0.752) 6.097 30.027 ( 5.077 7.407 -2.333) 9.279 30.114 ( 2.723 4.741 -4.992) 7.403 30.600 ( -1.369 3.172 0.450) 3.484 30.686 ( -4.113 2.607 -3.376) 5.926======================= Grid point 112 (42/60) =======================q-point: (-0.50 0.17 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( -2.826 11.905 -3.620) 12.760 1.576 ( 2.826 11.905 -3.620) 12.760 1.759 ( -8.301 6.619 13.697) 17.330 1.759 ( 8.301 6.619 13.697) 17.330 2.003 ( -0.925 10.617 -6.063) 12.261 2.003 ( 0.925 10.617 -6.063) 12.261 2.122 ( -12.448 0.332 12.642) 17.745 2.122 ( 12.448 0.332 12.642) 17.745 2.347 ( -4.262 0.642 -6.497) 7.797 2.347 ( 4.262 0.642 -6.497) 7.797 2.588 ( -3.911 -7.885 -6.434) 10.903 2.588 ( 3.911 -7.885 -6.434) 10.903 2.820 ( -3.506 -1.263 -5.676) 6.791 2.820 ( 3.506 -1.263 -5.676) 6.791 2.974 ( -3.617 -3.902 -10.527) 11.795 2.974 ( 3.617 -3.902 -10.527) 11.795 3.144 ( -3.852 -4.241 0.941) 5.806 3.144 ( 3.852 -4.241 0.941) 5.806 3.222 ( -6.879 -2.693 1.575) 7.554 3.222 ( 6.879 -2.693 1.575) 7.554 3.359 ( -1.811 1.801 1.176) 2.812 3.359 ( 1.811 1.801 1.176) 2.812 3.477 ( -1.843 -6.506 -3.321) 7.533 3.477 ( 1.843 -6.506 -3.321) 7.533 3.755 ( -5.077 4.728 5.408) 8.796 3.755 ( 5.077 4.728 5.408) 8.796 3.833 ( -8.565 3.554 3.749) 10.003 3.833 ( 8.565 3.554 3.749) 10.003 3.935 ( -5.675 2.436 2.722) 6.749 3.935 ( 5.675 2.436 2.722) 6.749 4.032 ( -2.347 6.245 0.555) 6.695 4.032 ( 2.347 6.245 0.555) 6.695 4.166 ( -1.590 -0.069 0.279) 1.616 4.166 ( 1.590 -0.069 0.279) 1.616 4.291 ( -4.169 -0.178 2.072) 4.658 4.291 ( 4.169 -0.178 2.072) 4.658 4.358 ( -7.894 3.030 5.052) 9.850 4.358 ( 7.894 3.030 5.052) 9.850 4.499 ( -5.249 -0.062 -1.252) 5.396 4.499 ( 5.249 -0.062 -1.252) 5.396 4.723 ( -5.820 5.047 -0.303) 7.709 4.723 ( 5.820 5.047 -0.303) 7.709 4.806 ( -3.952 -1.458 -0.771) 4.283 4.806 ( 3.952 -1.458 -0.771) 4.283 4.905 ( -2.956 2.140 2.668) 4.521 4.905 ( 2.956 2.140 2.668) 4.521 5.023 ( -4.363 -1.595 -1.769) 4.971 5.023 ( 4.363 -1.595 -1.769) 4.971 5.264 ( -2.550 -2.942 2.913) 4.862 5.264 ( 2.550 -2.942 2.913) 4.862 5.467 ( -2.755 0.990 4.410) 5.294 5.467 ( 2.755 0.990 4.410) 5.294 5.505 ( -1.590 -0.287 -0.177) 1.625 5.505 ( 1.590 -0.287 -0.177) 1.625 5.920 ( -4.457 -0.119 2.332) 5.031 5.920 ( 4.457 -0.119 2.332) 5.031 6.102 ( -9.357 -1.233 -18.170) 20.475 6.102 ( 9.357 -1.233 -18.170) 20.475 6.376 ( -9.537 -4.086 -2.682) 10.717 6.376 ( 9.537 -4.086 -2.682) 10.717 11.564 ( -3.123 0.166 1.304) 3.388 11.564 ( 3.123 0.166 1.304) 3.388 11.661 ( -2.943 -0.597 -0.476) 3.041 11.661 ( 2.943 -0.597 -0.476) 3.041 11.709 ( -2.882 0.048 -3.614) 4.622 11.709 ( 2.882 0.048 -3.614) 4.622 11.734 ( -3.306 0.391 -1.522) 3.661 11.734 ( 3.306 0.391 -1.522) 3.661 15.927 ( -0.537 -0.487 1.384) 1.562 15.927 ( 0.537 -0.487 1.384) 1.562 15.949 ( -0.804 -2.684 0.625) 2.871 15.949 ( 0.804 -2.684 0.625) 2.871 16.131 ( -0.797 1.646 0.391) 1.870 16.131 ( 0.797 1.646 0.391) 1.870 16.209 ( -1.376 0.023 -0.291) 1.407 16.209 ( 1.376 0.023 -0.291) 1.407 16.272 ( -0.561 0.315 2.465) 2.547 16.272 ( 0.561 0.315 2.465) 2.547 16.361 ( -1.864 -0.172 -1.002) 2.123 16.361 ( 1.864 -0.172 -1.002) 2.123 26.499 ( -0.419 0.029 0.412) 0.588 26.499 ( 0.419 0.029 0.412) 0.588 26.508 ( -0.435 -0.102 0.076) 0.453 26.508 ( 0.435 -0.102 0.076) 0.453 29.012 ( -5.005 0.048 0.217) 5.010 29.012 ( 5.005 0.048 0.217) 5.010 29.069 ( -4.516 -3.006 -0.491) 5.448 29.069 ( 4.516 -3.006 -0.491) 5.448 29.384 ( -2.332 -1.991 0.365) 3.088 29.384 ( 2.332 -1.991 0.365) 3.088 29.651 ( -2.989 -6.374 1.206) 7.143 29.651 ( 2.989 -6.374 1.206) 7.143 30.126 ( -2.413 10.061 -2.327) 10.604 30.126 ( 2.413 10.061 -2.327) 10.604 30.603 ( -2.296 0.008 -1.986) 3.036 30.603 ( 2.296 0.008 -1.986) 3.036======================= Grid point 115 (43/60) =======================q-point: ( 0.00 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( 0.000 6.791 5.823) 8.945 1.700 ( 0.000 -0.101 11.055) 11.055 1.763 ( 0.000 6.855 1.564) 7.031 1.885 ( 0.000 5.157 0.087) 5.158 1.965 ( 0.000 3.085 -3.730) 4.840 2.002 ( 0.000 2.001 0.010) 2.001 2.219 ( 0.000 10.625 -1.065) 10.678 2.256 ( 0.000 6.947 0.144) 6.948 2.464 ( 0.000 -0.225 4.677) 4.682 2.469 ( 0.000 1.291 -5.368) 5.521 2.588 ( 0.000 2.072 -6.657) 6.972 2.601 ( 0.000 -2.735 -4.596) 5.348 2.770 ( 0.000 -3.110 4.311) 5.315 2.854 ( 0.000 -8.933 0.574) 8.951 2.893 ( 0.000 -7.865 3.385) 8.563 2.924 ( 0.000 -7.130 -3.696) 8.031 2.980 ( 0.000 1.452 5.958) 6.133 3.087 ( 0.000 -6.851 -10.402) 12.455 3.250 ( 0.000 3.465 3.256) 4.755 3.270 ( 0.000 2.069 0.554) 2.141 3.323 ( 0.000 -2.046 -10.980) 11.169 3.362 ( 0.000 -5.712 -10.457) 11.916 3.435 ( 0.000 6.037 -1.977) 6.352 3.534 ( 0.000 -2.967 4.975) 5.793 3.586 ( 0.000 5.500 12.243) 13.422 3.689 ( 0.000 4.450 -1.608) 4.731 3.697 ( 0.000 0.964 -0.302) 1.010 3.736 ( 0.000 3.319 3.288) 4.672 3.889 ( 0.000 7.369 2.217) 7.695 4.033 ( 0.000 0.738 -6.905) 6.945 4.091 ( 0.000 3.842 1.947) 4.307 4.099 ( 0.000 -1.676 -0.905) 1.904 4.134 ( 0.000 6.156 6.108) 8.672 4.191 ( 0.000 1.087 -0.561) 1.223 4.352 ( 0.000 3.370 2.354) 4.111 4.355 ( 0.000 3.573 -0.832) 3.669 4.417 ( 0.000 1.033 0.591) 1.190 4.472 ( 0.000 0.235 -0.989) 1.017 4.524 ( 0.000 -3.515 -2.861) 4.532 4.624 ( 0.000 -0.546 1.557) 1.650 4.653 ( 0.000 -1.099 -1.195) 1.623 4.744 ( 0.000 -5.204 -3.450) 6.244 4.949 ( 0.000 0.446 -0.339) 0.560 4.992 ( 0.000 3.097 5.696) 6.483 5.005 ( 0.000 -4.260 9.155) 10.098 5.046 ( 0.000 2.591 2.833) 3.839 5.136 ( 0.000 9.366 -0.883) 9.408 5.213 ( 0.000 -1.666 -1.603) 2.312 5.256 ( 0.000 -1.906 1.790) 2.615 5.271 ( 0.000 -4.499 10.210) 11.157 5.322 ( 0.000 -3.995 -3.721) 5.459 5.403 ( 0.000 1.566 0.193) 1.578 5.483 ( 0.000 1.165 -1.683) 2.047 5.517 ( 0.000 -2.728 -0.536) 2.780 5.604 ( 0.000 3.708 -5.663) 6.769 5.656 ( 0.000 0.007 0.223) 0.223 5.930 ( 0.000 1.665 1.944) 2.560 6.055 ( 0.000 -2.366 -0.006) 2.366 6.380 ( 0.000 0.819 -5.894) 5.951 6.581 ( 0.000 -8.141 -16.442) 18.347 11.506 ( 0.000 -0.412 -1.830) 1.875 11.510 ( 0.000 -0.563 -1.482) 1.585 11.565 ( 0.000 0.826 0.241) 0.861 11.601 ( 0.000 -0.725 -1.022) 1.253 11.679 ( 0.000 0.661 1.291) 1.451 11.777 ( 0.000 -3.089 -3.464) 4.641 11.852 ( 0.000 1.149 -1.519) 1.905 11.860 ( 0.000 0.729 -1.809) 1.951 15.911 ( 0.000 -1.024 0.150) 1.034 15.913 ( 0.000 -0.131 0.224) 0.259 15.925 ( 0.000 0.108 1.335) 1.340 15.930 ( 0.000 0.091 1.193) 1.197 16.059 ( 0.000 -1.207 1.618) 2.019 16.108 ( 0.000 -2.021 0.382) 2.057 16.189 ( 0.000 2.096 1.576) 2.623 16.210 ( 0.000 3.017 0.029) 3.018 16.291 ( 0.000 -1.794 1.467) 2.318 16.328 ( 0.000 0.666 1.261) 1.426 16.371 ( 0.000 0.694 -0.449) 0.826 16.385 ( 0.000 -1.418 -2.686) 3.037 26.493 ( 0.000 0.118 0.404) 0.421 26.495 ( 0.000 0.050 0.326) 0.330 26.520 ( 0.000 -0.041 0.267) 0.270 26.521 ( 0.000 -0.110 0.129) 0.170 28.836 ( 0.000 -0.747 2.078) 2.208 28.866 ( 0.000 -2.745 0.944) 2.903 29.171 ( 0.000 1.901 0.458) 1.956 29.175 ( 0.000 0.728 0.766) 1.057 29.240 ( 0.000 -2.972 1.314) 3.249 29.327 ( 0.000 -6.266 -2.023) 6.585 29.632 ( 0.000 -2.890 3.007) 4.170 29.644 ( 0.000 -4.626 4.211) 6.256 30.077 ( 0.000 4.640 -7.413) 8.745 30.096 ( 0.000 2.718 -7.277) 7.768 30.740 ( 0.000 5.096 0.610) 5.132 30.813 ( 0.000 2.100 -2.600) 3.342======================= Grid point 116 (44/60) =======================q-point: ( 0.25 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( 6.245 6.670 5.063) 10.446 1.798 ( 2.854 9.166 3.560) 10.239 1.810 ( 8.763 1.837 7.449) 11.647 1.914 ( -0.037 13.832 -1.194) 13.883 2.027 ( 5.708 2.184 0.911) 6.179 2.062 ( 4.736 1.921 1.471) 5.318 2.195 ( -0.981 5.487 -0.695) 5.617 2.291 ( -1.237 2.892 -1.802) 3.626 2.362 ( -2.460 1.744 2.523) 3.932 2.484 ( 0.915 0.685 -0.836) 1.416 2.546 ( -4.783 0.091 -2.067) 5.211 2.584 ( -4.854 4.360 -3.787) 7.544 2.702 ( -3.748 -3.220 -1.368) 5.127 2.787 ( -5.310 -8.634 -1.377) 10.229 2.878 ( -0.049 -2.004 -5.242) 5.612 2.909 ( -1.139 -7.193 -3.190) 7.951 2.971 ( 1.238 -5.922 0.559) 6.076 3.107 ( 3.177 -5.685 -9.131) 11.216 3.193 ( -2.584 2.980 -3.533) 5.295 3.246 ( -6.992 -3.200 0.453) 7.703 3.329 ( -0.942 -1.948 -2.783) 3.525 3.392 ( 1.202 -1.113 -6.368) 6.576 3.452 ( -3.304 -3.189 3.776) 5.945 3.476 ( -0.817 2.776 -3.783) 4.762 3.558 ( 7.626 1.920 0.049) 7.864 3.737 ( 4.247 0.846 2.911) 5.218 3.764 ( 6.068 4.456 3.175) 8.170 3.869 ( 1.002 -0.810 5.801) 5.942 3.953 ( 4.863 -2.310 6.781) 8.658 4.024 ( 2.355 11.723 2.981) 12.324 4.073 ( 0.365 -3.580 -1.447) 3.879 4.161 ( 1.467 4.028 0.105) 4.288 4.177 ( -1.184 5.690 0.511) 5.835 4.233 ( 1.781 4.374 -4.367) 6.432 4.279 ( 2.063 3.072 4.830) 6.085 4.317 ( -2.653 4.664 3.375) 6.339 4.421 ( -1.617 -2.600 0.300) 3.076 4.435 ( -0.727 1.851 1.502) 2.492 4.610 ( 4.515 0.001 0.220) 4.520 4.640 ( -3.363 -4.274 2.174) 5.857 4.655 ( -2.027 1.396 -0.884) 2.615 4.701 ( 2.852 0.096 -2.153) 3.575 4.868 ( -5.270 2.502 0.309) 5.842 4.905 ( -1.618 -1.050 2.426) 3.099 4.970 ( -6.188 -2.661 9.795) 11.888 5.002 ( -4.546 2.855 0.800) 5.427 5.026 ( -9.600 -1.055 1.651) 9.798 5.145 ( -4.969 -1.313 0.524) 5.166 5.195 ( 1.663 6.001 -0.014) 6.227 5.303 ( -0.467 0.541 -1.344) 1.522 5.351 ( 6.499 -2.021 4.287) 8.043 5.428 ( 1.015 -1.017 2.114) 2.556 5.504 ( 0.072 -0.860 -0.070) 0.866 5.595 ( 0.428 5.793 -2.670) 6.393 5.714 ( 7.949 -5.789 -3.976) 10.606 5.788 ( 11.328 -1.857 -7.042) 13.467 5.966 ( 1.035 0.538 1.614) 1.991 6.069 ( 3.452 -1.349 -2.282) 4.352 6.329 ( -4.550 -0.344 -5.347) 7.029 6.476 ( -8.727 -7.231 -13.453) 17.590 11.519 ( 1.630 0.334 -1.047) 1.965 11.554 ( 3.263 -1.120 -2.151) 4.065 11.606 ( 3.285 0.782 0.146) 3.380 11.641 ( 3.265 -0.265 -1.338) 3.538 11.646 ( -2.610 0.672 0.964) 2.862 11.741 ( -2.935 -2.736 -3.660) 5.431 11.812 ( -3.393 1.099 -1.370) 3.820 11.825 ( -3.030 0.556 -1.843) 3.590 15.901 ( -0.497 -0.580 0.817) 1.119 15.908 ( -0.317 -0.962 0.379) 1.082 15.916 ( -0.150 -0.269 1.151) 1.191 15.932 ( -0.504 -1.032 0.521) 1.261 16.103 ( 3.200 0.047 1.578) 3.569 16.147 ( 3.078 -1.418 0.900) 3.506 16.186 ( -0.324 2.266 1.175) 2.573 16.218 ( 0.679 2.687 -0.122) 2.774 16.280 ( -1.069 -1.542 1.993) 2.737 16.318 ( -1.011 0.619 0.659) 1.356 16.350 ( -1.334 0.172 -0.175) 1.357 16.371 ( -1.187 -1.772 -1.960) 2.897 26.494 ( 0.161 0.111 0.385) 0.431 26.497 ( 0.222 -0.006 0.265) 0.346 26.513 ( -0.518 -0.004 0.279) 0.589 26.516 ( -0.431 -0.131 0.139) 0.471 28.889 ( 4.402 -0.800 1.303) 4.660 28.909 ( 3.706 -2.540 0.724) 4.550 29.113 ( -4.123 -0.374 0.502) 4.170 29.122 ( -4.084 -0.438 0.015) 4.108 29.284 ( 2.970 -1.085 1.461) 3.483 29.365 ( 2.290 -3.599 -1.825) 4.640 29.534 ( -4.714 -3.313 3.255) 6.618 29.612 ( -4.067 -5.664 0.959) 7.039 30.175 ( 8.276 6.204 -4.343) 11.218 30.218 ( 8.248 4.271 -5.419) 10.753 30.672 ( -5.559 3.344 -0.155) 6.489 30.731 ( -6.768 1.162 -2.644) 7.358======================= Grid point 117 (45/60) =======================q-point: (-0.50 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.841 ( -2.944 11.344 0.443) 11.728 1.841 ( 2.944 11.344 0.443) 11.728 1.927 ( -5.639 8.419 6.029) 11.791 1.927 ( 5.639 8.419 6.029) 11.791 2.100 ( -5.519 1.011 3.376) 6.549 2.100 ( 5.519 1.011 3.376) 6.549 2.243 ( -8.495 5.327 4.161) 10.856 2.243 ( 8.495 5.327 4.161) 10.856 2.378 ( -3.840 2.274 -1.449) 4.692 2.378 ( 3.840 2.274 -1.449) 4.692 2.503 ( -2.878 3.616 -2.726) 5.366 2.503 ( 2.878 3.616 -2.726) 5.366 2.684 ( -1.796 -10.034 -7.475) 12.640 2.684 ( 1.796 -10.034 -7.475) 12.640 2.921 ( -2.631 -3.235 -9.715) 10.572 2.921 ( 2.631 -3.235 -9.715) 10.572 3.013 ( -8.105 -4.741 0.938) 9.437 3.013 ( 8.105 -4.741 0.938) 9.437 3.182 ( -1.479 -4.384 -5.406) 7.116 3.182 ( 1.479 -4.384 -5.406) 7.116 3.346 ( -4.782 -1.043 -3.064) 5.774 3.346 ( 4.782 -1.043 -3.064) 5.774 3.463 ( -1.237 2.140 -2.713) 3.670 3.463 ( 1.237 2.140 -2.713) 3.670 3.736 ( -6.387 -1.987 6.401) 9.258 3.736 ( 6.387 -1.987 6.401) 9.258 3.857 ( -2.731 -1.421 4.293) 5.283 3.857 ( 2.731 -1.421 4.293) 5.283 4.010 ( -1.286 4.696 -0.052) 4.870 4.010 ( 1.286 4.696 -0.052) 4.870 4.130 ( -4.635 -1.703 0.069) 4.939 4.130 ( 4.635 -1.703 0.069) 4.939 4.243 ( -3.574 3.066 -0.098) 4.709 4.243 ( 3.574 3.066 -0.098) 4.709 4.307 ( -9.330 9.510 9.078) 16.122 4.307 ( 9.330 9.510 9.078) 16.122 4.392 ( -7.246 -0.983 3.236) 7.996 4.392 ( 7.246 -0.983 3.236) 7.996 4.573 ( -9.149 5.029 1.835) 10.600 4.573 ( 9.149 5.029 1.835) 10.600 4.759 ( -2.601 -0.943 0.432) 2.800 4.759 ( 2.601 -0.943 0.432) 2.800 4.817 ( -6.580 0.779 1.280) 6.749 4.817 ( 6.580 0.779 1.280) 6.749 4.912 ( -3.686 -0.945 2.485) 4.545 4.912 ( 3.686 -0.945 2.485) 4.545 4.988 ( -6.963 -2.124 -1.673) 7.469 4.988 ( 6.963 -2.124 -1.673) 7.469 5.261 ( -3.109 3.845 1.245) 5.099 5.261 ( 3.109 3.845 1.245) 5.099 5.449 ( -1.216 -2.648 3.199) 4.327 5.449 ( 1.216 -2.648 3.199) 4.327 5.544 ( -4.225 4.385 -1.979) 6.403 5.544 ( 4.225 4.385 -1.979) 6.403 5.859 ( -4.854 -6.552 -3.050) 8.706 5.859 ( 4.854 -6.552 -3.050) 8.706 6.103 ( -8.741 1.945 -11.194) 14.335 6.103 ( 8.741 1.945 -11.194) 14.335 6.273 ( -6.386 -5.350 -2.751) 8.773 6.273 ( 6.386 -5.350 -2.751) 8.773 11.575 ( -3.154 0.959 0.007) 3.297 11.575 ( 3.154 0.959 0.007) 3.297 11.637 ( -3.318 -1.609 -2.046) 4.217 11.637 ( 3.318 -1.609 -2.046) 4.217 11.718 ( -3.037 0.687 -1.782) 3.588 11.718 ( 3.037 0.687 -1.782) 3.588 11.738 ( -3.671 -0.015 -1.676) 4.035 11.738 ( 3.671 -0.015 -1.676) 4.035 15.900 ( -0.305 -1.077 0.797) 1.374 15.900 ( 0.305 -1.077 0.797) 1.374 15.919 ( -0.458 -0.985 0.682) 1.282 15.919 ( 0.458 -0.985 0.682) 1.282 16.164 ( -1.749 1.642 1.461) 2.809 16.164 ( 1.749 1.642 1.461) 2.809 16.217 ( -2.060 0.318 0.312) 2.108 16.217 ( 2.060 0.318 0.312) 2.108 16.274 ( -2.008 0.324 1.454) 2.500 16.274 ( 2.008 0.324 1.454) 2.500 16.345 ( -0.820 -1.535 -0.843) 1.933 16.345 ( 0.820 -1.535 -0.843) 1.933 26.501 ( -0.386 0.086 0.346) 0.526 26.501 ( 0.386 0.086 0.346) 0.526 26.505 ( -0.386 -0.125 0.156) 0.434 26.505 ( 0.386 -0.125 0.156) 0.434 29.002 ( -3.198 -1.117 0.652) 3.449 29.002 ( 3.198 -1.117 0.652) 3.449 29.017 ( -3.091 -1.591 -0.079) 3.478 29.017 ( 3.091 -1.591 -0.079) 3.478 29.357 ( -3.167 0.144 0.684) 3.243 29.357 ( 3.167 0.144 0.684) 3.243 29.517 ( -3.376 -6.380 0.594) 7.243 29.517 ( 3.376 -6.380 0.594) 7.243 30.338 ( -2.161 9.730 -2.412) 10.255 30.338 ( 2.161 9.730 -2.412) 10.255 30.585 ( -2.422 -2.089 -2.636) 4.144 30.585 ( 2.422 -2.089 -2.636) 4.144======================= Grid point 120 (46/60) =======================q-point: ( 0.00 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( 0.000 -1.794 2.836) 3.355 1.739 ( 0.000 1.794 2.836) 3.355 1.816 ( 0.000 -4.937 3.975) 6.338 1.816 ( 0.000 4.937 3.975) 6.338 2.065 ( 0.000 -0.162 -0.249) 0.297 2.065 ( 0.000 0.162 -0.249) 0.297 2.401 ( 0.000 -4.454 6.182) 7.619 2.401 ( 0.000 4.454 6.182) 7.619 2.420 ( 0.000 -5.977 -2.809) 6.604 2.420 ( 0.000 5.977 -2.809) 6.604 2.625 ( 0.000 -2.559 -4.767) 5.410 2.625 ( 0.000 2.559 -4.767) 5.410 2.687 ( 0.000 -2.675 -3.888) 4.719 2.687 ( 0.000 2.675 -3.888) 4.719 2.826 ( 0.000 -1.213 -2.048) 2.381 2.826 ( 0.000 1.213 -2.048) 2.381 3.001 ( 0.000 -1.534 -3.410) 3.739 3.001 ( 0.000 1.534 -3.410) 3.739 3.285 ( 0.000 -0.265 -8.280) 8.284 3.285 ( 0.000 0.265 -8.280) 8.284 3.326 ( 0.000 -1.373 1.566) 2.083 3.326 ( 0.000 1.373 1.566) 2.083 3.496 ( 0.000 -1.041 9.465) 9.522 3.496 ( 0.000 1.041 9.465) 9.522 3.678 ( 0.000 -7.064 8.237) 10.851 3.678 ( 0.000 7.064 8.237) 10.851 3.721 ( 0.000 -0.288 -2.475) 2.491 3.721 ( 0.000 0.288 -2.475) 2.491 4.022 ( 0.000 -5.443 -2.542) 6.007 4.022 ( 0.000 5.443 -2.542) 6.007 4.119 ( 0.000 -1.366 -4.493) 4.696 4.119 ( 0.000 1.366 -4.493) 4.696 4.223 ( 0.000 -4.356 -4.432) 6.214 4.223 ( 0.000 4.356 -4.432) 6.214 4.409 ( 0.000 -0.960 1.880) 2.111 4.409 ( 0.000 0.960 1.880) 2.111 4.426 ( 0.000 -3.929 2.053) 4.433 4.426 ( 0.000 3.929 2.053) 4.433 4.560 ( 0.000 -6.218 3.863) 7.320 4.560 ( 0.000 6.218 3.863) 7.320 4.651 ( 0.000 -3.278 -0.621) 3.336 4.651 ( 0.000 3.278 -0.621) 3.336 4.940 ( 0.000 -0.131 6.355) 6.357 4.940 ( 0.000 0.131 6.355) 6.357 5.057 ( 0.000 -2.283 4.990) 5.487 5.057 ( 0.000 2.283 4.990) 5.487 5.205 ( 0.000 -0.862 -0.324) 0.921 5.205 ( 0.000 0.862 -0.324) 0.921 5.248 ( 0.000 -2.098 -1.195) 2.414 5.248 ( 0.000 2.098 -1.195) 2.414 5.354 ( 0.000 -8.092 -1.681) 8.265 5.354 ( 0.000 8.092 -1.681) 8.265 5.479 ( 0.000 -0.594 0.774) 0.975 5.479 ( 0.000 0.594 0.774) 0.975 5.651 ( 0.000 -0.891 -3.698) 3.804 5.651 ( 0.000 0.891 -3.698) 3.804 5.988 ( 0.000 -3.630 3.019) 4.722 5.988 ( 0.000 3.630 3.019) 4.722 6.439 ( 0.000 -5.093 -11.945) 12.986 6.439 ( 0.000 5.093 -11.945) 12.986 11.503 ( 0.000 -0.085 -1.793) 1.795 11.503 ( 0.000 0.085 -1.793) 1.795 11.584 ( 0.000 -0.920 -0.144) 0.931 11.584 ( 0.000 0.920 -0.144) 0.931 11.715 ( 0.000 -2.644 -1.234) 2.918 11.715 ( 0.000 2.644 -1.234) 2.918 11.867 ( 0.000 -0.169 -2.078) 2.085 11.867 ( 0.000 0.169 -2.078) 2.085 15.907 ( 0.000 -0.383 0.284) 0.477 15.907 ( 0.000 0.383 0.284) 0.477 15.928 ( 0.000 -0.150 1.110) 1.120 15.928 ( 0.000 0.150 1.110) 1.120 16.065 ( 0.000 -1.632 1.187) 2.019 16.065 ( 0.000 1.632 1.187) 2.019 16.239 ( 0.000 -2.487 1.765) 3.050 16.239 ( 0.000 2.487 1.765) 3.050 16.287 ( 0.000 -3.437 -0.732) 3.514 16.287 ( 0.000 3.437 -0.732) 3.514 16.379 ( 0.000 -0.025 -0.598) 0.599 16.379 ( 0.000 0.025 -0.598) 0.599 26.495 ( 0.000 -0.061 0.346) 0.352 26.495 ( 0.000 0.061 0.346) 0.352 26.520 ( 0.000 -0.023 0.210) 0.212 26.520 ( 0.000 0.023 0.210) 0.212 28.831 ( 0.000 -0.570 1.029) 1.177 28.831 ( 0.000 0.570 1.029) 1.177 29.193 ( 0.000 -0.190 2.008) 2.017 29.193 ( 0.000 0.190 2.008) 2.017 29.231 ( 0.000 -2.375 -0.675) 2.469 29.231 ( 0.000 2.375 -0.675) 2.469 29.591 ( 0.000 -0.010 3.207) 3.207 29.591 ( 0.000 0.010 3.207) 3.207 30.130 ( 0.000 -0.223 -7.830) 7.833 30.130 ( 0.000 0.223 -7.830) 7.833 30.814 ( 0.000 -1.926 -0.753) 2.068 30.814 ( 0.000 1.926 -0.753) 2.068======================= Grid point 122 (47/60) =======================q-point: ( 0.25 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( 6.273 -2.309 4.312) 7.954 1.802 ( 6.273 2.309 4.312) 7.954 1.976 ( 11.241 -6.662 3.425) 13.508 1.976 ( 11.241 6.662 3.425) 13.508 2.108 ( 2.901 -0.958 -0.073) 3.056 2.108 ( 2.901 0.958 -0.073) 3.056 2.251 ( -8.239 -3.085 5.596) 10.426 2.251 ( -8.239 3.085 5.596) 10.426 2.465 ( 1.695 -5.167 -2.855) 6.142 2.465 ( 1.695 5.167 -2.855) 6.142 2.603 ( -5.002 -5.413 -5.841) 9.404 2.603 ( -5.002 5.413 -5.841) 9.404 2.698 ( 0.542 -8.340 -2.781) 8.808 2.698 ( 0.542 8.340 -2.781) 8.808 2.793 ( -2.235 -8.759 -1.631) 9.186 2.793 ( -2.235 8.759 -1.631) 9.186 2.969 ( -0.352 -5.218 -7.078) 8.801 2.969 ( -0.352 5.218 -7.078) 8.801 3.251 ( -4.483 -3.391 -2.374) 6.102 3.251 ( -4.483 3.391 -2.374) 6.102 3.319 ( -2.403 -6.883 2.908) 7.849 3.319 ( -2.403 6.883 2.908) 7.849 3.445 ( 1.158 -4.372 -6.220) 7.690 3.445 ( 1.158 4.372 -6.220) 7.690 3.693 ( 2.672 -7.072 2.669) 8.017 3.693 ( 2.672 7.072 2.669) 8.017 3.830 ( 3.995 -2.671 9.001) 10.204 3.830 ( 3.995 2.671 9.001) 10.204 3.961 ( -0.349 -5.874 -2.394) 6.353 3.961 ( -0.349 5.874 -2.394) 6.353 4.167 ( 1.841 -2.543 -0.204) 3.146 4.167 ( 1.841 2.543 -0.203) 3.146 4.295 ( -1.258 -1.738 0.744) 2.271 4.295 ( -1.258 1.738 0.744) 2.271 4.356 ( -0.914 -4.489 -0.207) 4.586 4.356 ( -0.914 4.489 -0.207) 4.586 4.438 ( 2.828 -3.605 0.934) 4.676 4.438 ( 2.828 3.605 0.934) 4.676 4.595 ( 0.592 -4.493 5.109) 6.830 4.595 ( 0.592 4.493 5.109) 6.830 4.655 ( 3.864 -1.383 -0.062) 4.104 4.655 ( 3.864 1.383 -0.062) 4.104 4.891 ( -4.040 -1.384 3.040) 5.242 4.891 ( -4.040 1.384 3.040) 5.242 4.966 ( -7.415 -2.236 6.815) 10.316 4.966 ( -7.415 2.236 6.815) 10.316 5.087 ( -6.633 -3.872 -0.840) 7.726 5.087 ( -6.633 3.872 -0.840) 7.726 5.291 ( 3.483 -2.684 0.181) 4.400 5.291 ( 3.483 2.684 0.181) 4.400 5.403 ( 1.027 -3.071 2.059) 3.838 5.403 ( 1.027 3.071 2.059) 3.838 5.546 ( 5.674 -7.293 -5.208) 10.607 5.546 ( 5.674 7.293 -5.208) 10.607 5.713 ( 2.768 -4.855 -4.022) 6.886 5.713 ( 2.768 4.855 -4.022) 6.886 6.018 ( 3.702 -3.263 1.148) 5.066 6.018 ( 3.702 3.263 1.148) 5.066 6.359 ( -6.820 -3.589 -10.188) 12.774 6.359 ( -6.820 3.589 -10.188) 12.774 11.532 ( 2.480 -0.905 -1.802) 3.197 11.532 ( 2.480 0.905 -1.802) 3.197 11.625 ( 3.211 -0.962 -0.194) 3.358 11.625 ( 3.211 0.962 -0.194) 3.358 11.684 ( -2.349 -2.560 -1.706) 3.871 11.684 ( -2.349 2.560 -1.706) 3.871 11.828 ( -3.335 -0.340 -1.953) 3.880 11.828 ( -3.335 0.340 -1.953) 3.880 15.901 ( -0.403 -0.385 0.537) 0.774 15.901 ( -0.403 0.385 0.537) 0.774 15.913 ( -0.911 -0.547 0.666) 1.254 15.913 ( -0.911 0.547 0.666) 1.254 16.117 ( 3.866 -1.244 1.624) 4.374 16.117 ( 3.866 1.244 1.624) 4.374 16.235 ( -0.528 -2.481 1.718) 3.064 16.235 ( -0.528 2.481 1.718) 3.064 16.285 ( 0.056 -3.256 -0.701) 3.331 16.285 ( 0.056 3.256 -0.701) 3.331 16.354 ( -2.112 -0.377 -0.354) 2.174 16.354 ( -2.112 0.377 -0.354) 2.174 26.496 ( 0.165 -0.083 0.310) 0.361 26.496 ( 0.165 0.083 0.310) 0.361 26.514 ( -0.467 -0.071 0.223) 0.522 26.514 ( -0.467 0.071 0.223) 0.522 28.881 ( 4.133 -0.289 0.758) 4.212 28.881 ( 4.133 0.289 0.758) 4.212 29.111 ( -4.833 -0.526 0.789) 4.925 29.111 ( -4.833 0.526 0.789) 4.925 29.303 ( 4.067 -2.367 0.348) 4.718 29.303 ( 4.067 2.367 0.348) 4.718 29.521 ( -5.132 -2.390 1.579) 5.878 29.521 ( -5.132 2.390 1.579) 5.878 30.255 ( 9.790 -1.089 -5.434) 11.250 30.255 ( 9.790 1.089 -5.434) 11.250 30.725 ( -7.649 -1.617 -1.186) 7.908 30.725 ( -7.649 1.617 -1.186) 7.908======================= Grid point 124 (48/60) =======================q-point: (-0.50 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.986 ( -8.961 -2.766 4.525) 10.413 1.986 ( -7.262 0.870 4.525) 8.600 1.986 ( 7.262 -0.870 4.525) 8.600 1.986 ( 8.961 2.766 4.525) 10.413 2.200 ( -4.065 -6.709 4.341) 8.966 2.200 ( 3.019 -6.570 4.341) 8.433 2.200 ( -3.019 6.570 4.341) 8.433 2.200 ( 4.065 6.709 4.341) 8.966 2.475 ( -4.579 -8.714 -5.032) 11.055 2.475 ( 4.413 -8.692 -5.032) 10.970 2.475 ( -4.413 8.692 -5.032) 10.970 2.475 ( 4.579 8.714 -5.032) 11.055 2.731 ( -2.760 -12.649 -2.930) 13.274 2.731 ( 2.454 -12.633 -2.930) 13.199 2.731 ( -2.454 12.633 -2.930) 13.199 2.731 ( 2.760 12.649 -2.930) 13.274 3.053 ( -7.768 -5.954 -8.092) 12.699 3.053 ( 6.495 -5.560 -8.092) 11.772 3.053 ( -6.495 5.560 -8.092) 11.772 3.053 ( 7.768 5.954 -8.092) 12.699 3.409 ( -5.277 -5.234 -2.420) 7.817 3.409 ( 4.941 -5.152 -2.420) 7.537 3.409 ( -4.941 5.152 -2.420) 7.537 3.409 ( 5.277 5.234 -2.420) 7.817 3.783 ( -4.225 -4.673 6.222) 8.855 3.783 ( 2.435 -4.343 6.222) 7.969 3.783 ( -2.435 4.343 6.222) 7.969 3.783 ( 4.225 4.673 6.222) 8.855 4.085 ( -6.850 -1.873 0.575) 7.125 4.085 ( -6.106 -1.048 0.575) 6.222 4.085 ( 6.106 1.048 0.575) 6.222 4.085 ( 6.850 1.873 0.575) 7.125 4.308 ( -4.143 -4.388 -0.763) 6.083 4.308 ( 3.437 -4.233 -0.763) 5.506 4.308 ( -3.437 4.233 -0.763) 5.506 4.308 ( 4.143 4.388 -0.763) 6.083 4.549 ( -5.354 -8.671 7.980) 12.943 4.549 ( 5.290 -8.661 7.980) 12.911 4.549 ( -5.290 8.661 7.980) 12.911 4.549 ( 5.354 8.671 7.980) 12.943 4.776 ( -7.459 -2.548 2.394) 8.238 4.776 ( -5.668 -0.782 2.394) 6.202 4.776 ( 5.668 0.782 2.394) 6.202 4.776 ( 7.459 2.548 2.394) 8.238 4.934 ( -6.841 -2.661 -0.580) 7.364 4.934 ( -5.581 1.779 -0.580) 5.886 4.934 ( 5.581 -1.779 -0.580) 5.886 4.934 ( 6.841 2.661 -0.580) 7.364 5.371 ( -2.813 -5.031 1.871) 6.060 5.371 ( 2.072 -4.940 1.871) 5.674 5.371 ( -2.072 4.940 1.871) 5.674 5.371 ( 2.813 5.031 1.871) 6.060 5.684 ( -5.012 -8.939 -5.210) 11.496 5.684 ( 5.010 -8.938 -5.210) 11.495 5.684 ( -5.010 8.938 -5.210) 11.495 5.684 ( 5.012 8.939 -5.210) 11.496 6.171 ( -8.178 -3.927 -5.072) 10.394 6.171 ( -4.083 -1.692 -5.072) 6.727 6.171 ( 4.083 1.692 -5.072) 6.727 6.171 ( 8.178 3.927 -5.072) 10.394 11.602 ( -3.543 -1.652 -1.428) 4.161 11.602 ( -1.891 0.696 -1.428) 2.469 11.602 ( 1.891 -0.696 -1.428) 2.469 11.602 ( 3.543 1.652 -1.428) 4.161 11.732 ( -4.816 -0.494 -1.601) 5.099 11.732 ( -4.778 0.392 -1.601) 5.055 11.732 ( 4.778 -0.392 -1.601) 5.055 11.732 ( 4.816 0.494 -1.601) 5.099 15.899 ( -0.239 -0.728 0.564) 0.951 15.899 ( 0.181 -0.724 0.564) 0.935 15.899 ( -0.181 0.724 0.564) 0.935 15.899 ( 0.239 0.728 0.564) 0.951 16.200 ( -2.837 -1.688 1.879) 3.799 16.200 ( 0.424 -0.939 1.879) 2.143 16.200 ( -0.424 0.939 1.879) 2.143 16.200 ( 2.837 1.688 1.879) 3.799 16.303 ( -1.735 -2.171 -0.462) 2.817 16.303 ( 1.409 -2.111 -0.462) 2.580 16.303 ( -1.409 2.111 -0.462) 2.580 16.303 ( 1.735 2.171 -0.462) 2.817 26.503 ( -0.425 -0.112 0.253) 0.507 26.503 ( -0.381 0.061 0.253) 0.462 26.503 ( 0.381 -0.061 0.253) 0.462 26.503 ( 0.425 0.112 0.253) 0.507 28.994 ( -5.477 -0.352 0.516) 5.513 28.994 ( -5.441 0.158 0.516) 5.468 28.994 ( 5.441 -0.158 0.516) 5.468 28.994 ( 5.477 0.352 0.516) 5.513 29.403 ( -4.347 -4.046 0.528) 5.962 29.403 ( 0.438 -3.420 0.528) 3.488 29.403 ( -0.438 3.420 0.528) 3.488 29.403 ( 4.347 4.046 0.528) 5.962 30.503 ( -8.782 -4.784 -2.681) 10.354 30.503 ( -7.000 -3.982 -2.681) 8.489 30.503 ( 7.000 3.982 -2.681) 8.489 30.503 ( 8.782 4.784 -2.681) 10.354======================= Grid point 140 (49/60) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.378 ( 0.000 0.000 -6.010) 6.010 1.378 ( 0.000 0.000 6.010) 6.010 1.806 ( 0.000 0.000 -13.642) 13.642 1.806 ( 0.000 0.000 13.642) 13.642 1.813 ( 0.000 0.000 -0.206) 0.206 1.813 ( 0.000 0.000 0.206) 0.206 2.187 ( 0.000 0.000 -12.936) 12.936 2.187 ( 0.000 0.000 12.936) 12.936 2.408 ( 0.000 0.000 -4.458) 4.458 2.408 ( 0.000 0.000 4.458) 4.458 2.631 ( 0.000 0.000 -19.177) 19.177 2.631 ( 0.000 0.000 19.177) 19.177 2.844 ( 0.000 0.000 -2.473) 2.473 2.844 ( 0.000 0.000 2.473) 2.473 3.098 ( 0.000 0.000 -6.678) 6.678 3.098 ( 0.000 0.000 6.678) 6.678 3.125 ( 0.000 0.000 -2.509) 2.509 3.125 ( 0.000 0.000 2.509) 2.509 3.178 ( 0.000 0.000 -7.145) 7.145 3.178 ( 0.000 0.000 7.145) 7.145 3.373 ( 0.000 0.000 -8.901) 8.901 3.373 ( 0.000 0.000 8.901) 8.901 3.451 ( 0.000 0.000 -1.649) 1.649 3.451 ( 0.000 0.000 1.649) 1.649 3.582 ( 0.000 0.000 -22.299) 22.299 3.582 ( 0.000 0.000 22.299) 22.299 3.727 ( 0.000 0.000 -0.651) 0.651 3.727 ( 0.000 0.000 0.651) 0.651 3.784 ( 0.000 0.000 -2.273) 2.273 3.784 ( 0.000 0.000 2.273) 2.273 3.920 ( 0.000 0.000 -3.071) 3.071 3.920 ( 0.000 0.000 3.071) 3.071 4.234 ( 0.000 0.000 -8.244) 8.244 4.234 ( 0.000 0.000 8.244) 8.244 4.240 ( 0.000 0.000 -1.610) 1.610 4.240 ( 0.000 0.000 1.610) 1.610 4.375 ( 0.000 0.000 -4.199) 4.199 4.375 ( 0.000 0.000 4.199) 4.199 4.654 ( 0.000 0.000 -2.038) 2.038 4.654 ( 0.000 0.000 2.038) 2.038 4.808 ( 0.000 0.000 -5.763) 5.763 4.808 ( 0.000 0.000 5.763) 5.763 4.849 ( 0.000 0.000 -2.793) 2.793 4.849 ( 0.000 0.000 2.793) 2.793 4.998 ( 0.000 0.000 -1.032) 1.032 4.998 ( 0.000 0.000 1.032) 1.032 5.230 ( 0.000 0.000 -1.631) 1.631 5.230 ( 0.000 0.000 1.631) 1.631 5.318 ( 0.000 0.000 -2.929) 2.929 5.318 ( 0.000 0.000 2.929) 2.929 5.348 ( 0.000 0.000 -0.788) 0.788 5.348 ( 0.000 0.000 0.788) 0.788 5.533 ( 0.000 0.000 -2.504) 2.504 5.533 ( 0.000 0.000 2.504) 2.504 5.684 ( 0.000 0.000 -2.431) 2.431 5.684 ( 0.000 0.000 2.431) 2.431 5.914 ( 0.000 0.000 -7.096) 7.096 5.914 ( 0.000 0.000 7.096) 7.096 6.486 ( 0.000 0.000 -9.727) 9.727 6.486 ( 0.000 0.000 9.727) 9.727 11.510 ( 0.000 0.000 -0.746) 0.746 11.510 ( 0.000 0.000 0.746) 0.746 11.571 ( 0.000 0.000 -2.228) 2.228 11.571 ( 0.000 0.000 2.228) 2.228 11.767 ( 0.000 0.000 -3.604) 3.604 11.767 ( 0.000 0.000 3.604) 3.604 11.818 ( 0.000 0.000 -0.427) 0.427 11.818 ( 0.000 0.000 0.427) 0.427 15.930 ( 0.000 0.000 -0.449) 0.449 15.930 ( 0.000 0.000 0.449) 0.449 15.985 ( 0.000 0.000 -0.864) 0.864 15.985 ( 0.000 0.000 0.864) 0.864 16.083 ( 0.000 0.000 -0.612) 0.612 16.083 ( 0.000 0.000 0.612) 0.612 16.224 ( 0.000 0.000 -2.877) 2.877 16.224 ( 0.000 0.000 2.877) 2.877 16.253 ( 0.000 0.000 -0.538) 0.538 16.253 ( 0.000 0.000 0.538) 0.538 16.384 ( 0.000 0.000 -1.193) 1.193 16.384 ( 0.000 0.000 1.193) 1.193 26.496 ( 0.000 0.000 -0.090) 0.090 26.496 ( 0.000 0.000 0.090) 0.090 26.525 ( 0.000 0.000 -0.040) 0.040 26.525 ( 0.000 0.000 0.040) 0.040 28.955 ( 0.000 0.000 -4.509) 4.509 28.955 ( 0.000 0.000 4.509) 4.509 29.125 ( 0.000 0.000 -4.014) 4.014 29.125 ( 0.000 0.000 4.014) 4.014 29.402 ( 0.000 0.000 -2.151) 2.151 29.402 ( 0.000 0.000 2.151) 2.151 29.775 ( 0.000 0.000 -3.735) 3.735 29.775 ( 0.000 0.000 3.735) 3.735 29.965 ( 0.000 0.000 -4.754) 4.754 29.965 ( 0.000 0.000 4.754) 4.754 30.606 ( 0.000 0.000 -3.128) 3.128 30.606 ( 0.000 0.000 3.128) 3.128======================= Grid point 142 (50/60) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( 0.570 0.000 -4.484) 4.520 1.386 ( 0.570 0.000 4.484) 4.520 1.789 ( -1.477 0.000 -1.791) 2.321 1.789 ( -1.477 0.000 1.791) 2.321 1.881 ( 6.548 0.000 -15.351) 16.689 1.881 ( 6.548 0.000 15.351) 16.689 2.263 ( 5.835 0.000 -13.174) 14.408 2.263 ( 5.835 0.000 13.174) 14.408 2.302 ( -8.674 0.000 -11.836) 14.674 2.302 ( -8.674 0.000 11.836) 14.674 2.648 ( 1.682 0.000 -10.910) 11.039 2.648 ( 1.682 0.000 10.910) 11.039 2.699 ( -9.239 0.000 -7.772) 12.073 2.699 ( -9.239 0.000 7.772) 12.073 2.953 ( -7.391 0.000 -5.728) 9.351 2.953 ( -7.391 0.000 5.728) 9.351 3.151 ( 1.284 0.000 -0.392) 1.343 3.151 ( 1.284 0.000 0.392) 1.343 3.255 ( 4.333 0.000 -7.498) 8.660 3.255 ( 4.333 0.000 7.498) 8.660 3.474 ( 0.674 0.000 -3.074) 3.147 3.474 ( 0.674 0.000 3.074) 3.147 3.530 ( 6.662 0.000 -3.801) 7.671 3.530 ( 6.662 0.000 3.801) 7.671 3.660 ( -3.650 0.000 -4.104) 5.493 3.660 ( -3.650 0.000 4.104) 5.493 3.745 ( 8.010 0.000 -8.536) 11.705 3.745 ( 8.010 0.000 8.536) 11.705 3.800 ( 7.986 0.000 -15.226) 17.193 3.800 ( 7.986 0.000 15.226) 17.193 3.950 ( 2.796 0.000 -1.807) 3.329 3.950 ( 2.796 0.000 1.807) 3.329 4.217 ( -1.374 0.000 -3.150) 3.436 4.217 ( -1.374 0.000 3.150) 3.436 4.227 ( -1.973 0.000 -0.420) 2.017 4.227 ( -1.973 0.000 0.420) 2.017 4.375 ( -1.705 0.000 -8.359) 8.531 4.375 ( -1.705 0.000 8.359) 8.531 4.670 ( 1.184 0.000 -2.396) 2.673 4.670 ( 1.184 0.000 2.396) 2.673 4.722 ( -10.067 0.000 -5.182) 11.323 4.722 ( -10.067 0.000 5.182) 11.323 4.806 ( 0.064 0.000 -4.351) 4.351 4.806 ( 0.064 0.000 4.351) 4.351 4.890 ( -3.899 0.000 -3.183) 5.033 4.890 ( -3.899 0.000 3.183) 5.033 5.165 ( -5.651 0.000 -3.902) 6.868 5.165 ( -5.651 0.000 3.902) 6.868 5.328 ( 0.693 0.000 -2.688) 2.776 5.328 ( 0.693 0.000 2.688) 2.776 5.503 ( 8.681 0.000 -12.198) 14.972 5.503 ( 8.681 0.000 12.198) 14.972 5.518 ( -1.123 0.000 -2.143) 2.419 5.518 ( -1.123 0.000 2.143) 2.419 5.712 ( 3.630 0.000 -13.449) 13.931 5.712 ( 3.630 0.000 13.449) 13.931 5.950 ( 1.112 0.000 -3.235) 3.421 5.950 ( 1.112 0.000 3.235) 3.421 6.442 ( -3.101 0.000 -7.189) 7.830 6.442 ( -3.101 0.000 7.189) 7.830 11.539 ( 2.576 0.000 -2.196) 3.385 11.539 ( 2.576 0.000 2.196) 3.385 11.606 ( 3.043 0.000 -1.966) 3.623 11.606 ( 3.043 0.000 1.966) 3.623 11.719 ( -3.909 0.000 -3.819) 5.465 11.719 ( -3.909 0.000 3.819) 5.465 11.782 ( -3.028 0.000 -0.743) 3.118 11.782 ( -3.028 0.000 0.743) 3.118 15.938 ( 0.532 0.000 -0.641) 0.833 15.938 ( 0.532 0.000 0.641) 0.833 15.993 ( 0.546 0.000 -0.723) 0.906 15.993 ( 0.546 0.000 0.723) 0.906 16.094 ( 0.721 0.000 -0.501) 0.877 16.094 ( 0.721 0.000 0.501) 0.877 16.217 ( -0.500 0.000 -2.128) 2.186 16.217 ( -0.500 0.000 2.128) 2.186 16.269 ( 1.424 0.000 -0.553) 1.528 16.269 ( 1.424 0.000 0.553) 1.528 16.369 ( -1.260 0.000 -1.414) 1.894 16.369 ( -1.260 0.000 1.414) 1.894 26.498 ( 0.223 0.000 -0.149) 0.268 26.498 ( 0.223 0.000 0.149) 0.268 26.519 ( -0.488 0.000 -0.146) 0.509 26.519 ( -0.488 0.000 0.146) 0.509 28.980 ( 1.878 0.000 -3.972) 4.394 28.980 ( 1.878 0.000 3.972) 4.394 29.115 ( -0.847 0.000 -3.639) 3.736 29.115 ( -0.847 0.000 3.639) 3.736 29.405 ( 0.197 0.000 -1.547) 1.560 29.405 ( 0.197 0.000 1.547) 1.560 29.772 ( -0.219 0.000 -2.686) 2.695 29.772 ( -0.219 0.000 2.686) 2.695 29.962 ( -0.219 0.000 -3.387) 3.394 29.962 ( -0.219 0.000 3.387) 3.394 30.594 ( -0.824 0.000 -2.172) 2.323 30.594 ( -0.824 0.000 2.172) 2.323======================= Grid point 144 (51/60) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.394 ( -0.000 0.000 0.000) 0.000 1.394 ( 0.000 0.000 0.000) 0.000 1.771 ( -0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 -0.000) 0.000 2.059 ( -0.000 0.000 0.000) 0.000 2.095 ( -0.000 0.000 0.000) 0.000 2.095 ( 0.000 0.000 0.000) 0.000 2.370 ( -0.000 0.000 -0.000) 0.000 2.370 ( 0.000 0.000 -0.000) 0.000 2.553 ( -0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.859 ( -0.000 0.000 0.000) 0.000 2.859 ( -0.000 0.000 0.000) 0.000 3.174 ( -0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.306 ( -0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.453 ( -0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 -0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.635 ( -0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 4.009 ( -0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.031 ( -0.000 0.000 -0.000) 0.000 4.031 ( 0.000 0.000 0.000) 0.000 4.124 ( -0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 -0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.461 ( -0.000 0.000 -0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.810 ( -0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.922 ( -0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 5.023 ( -0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.338 ( -0.000 0.000 0.000) 0.000 5.338 ( 0.000 0.000 0.000) 0.000 5.501 ( -0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 -0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.720 ( -0.000 0.000 -0.000) 0.000 5.720 ( -0.000 0.000 0.000) 0.000 5.952 ( -0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 6.399 ( 0.000 0.000 0.000) 0.000 6.399 ( 0.000 0.000 0.000) 0.000 11.615 ( -0.000 0.000 -0.000) 0.000 11.615 ( 0.000 0.000 0.000) 0.000 11.625 ( 0.000 0.000 0.000) 0.000 11.625 ( 0.000 0.000 0.000) 0.000 11.680 ( 0.000 0.000 0.000) 0.000 11.680 ( 0.000 0.000 0.000) 0.000 11.709 ( -0.000 0.000 0.000) 0.000 11.709 ( -0.000 0.000 0.000) 0.000 15.945 ( -0.000 0.000 0.000) 0.000 15.945 ( 0.000 0.000 0.000) 0.000 16.001 ( -0.000 0.000 0.000) 0.000 16.001 ( 0.000 0.000 0.000) 0.000 16.104 ( 0.000 0.000 0.000) 0.000 16.104 ( -0.000 0.000 0.000) 0.000 16.209 ( -0.000 0.000 0.000) 0.000 16.209 ( 0.000 0.000 0.000) 0.000 16.298 ( -0.000 0.000 0.000) 0.000 16.298 ( 0.000 0.000 0.000) 0.000 16.343 ( 0.000 0.000 0.000) 0.000 16.343 ( 0.000 0.000 0.000) 0.000 26.505 ( 0.000 0.000 0.000) 0.000 26.505 ( 0.000 0.000 0.000) 0.000 26.508 ( -0.000 0.000 0.000) 0.000 26.508 ( -0.000 0.000 0.000) 0.000 29.011 ( -0.000 0.000 0.000) 0.000 29.011 ( 0.000 0.000 0.000) 0.000 29.099 ( -0.000 0.000 0.000) 0.000 29.099 ( 0.000 0.000 0.000) 0.000 29.408 ( 0.000 0.000 0.000) 0.000 29.408 ( 0.000 0.000 0.000) 0.000 29.769 ( 0.000 0.000 0.000) 0.000 29.769 ( -0.000 0.000 0.000) 0.000 29.959 ( -0.000 0.000 0.000) 0.000 29.959 ( 0.000 0.000 0.000) 0.000 30.582 ( 0.000 0.000 0.000) 0.000 30.582 ( 0.000 0.000 0.000) 0.000======================= Grid point 150 (52/60) =======================q-point: ( 0.00 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( 0.000 11.618 -5.738) 12.958 1.513 ( 0.000 11.618 5.738) 12.958 1.813 ( 0.000 1.140 -10.703) 10.764 1.813 ( 0.000 1.140 10.703) 10.764 1.892 ( 0.000 5.781 -1.491) 5.971 1.892 ( 0.000 5.781 1.491) 5.971 2.193 ( 0.000 0.976 -11.102) 11.145 2.193 ( 0.000 0.976 11.102) 11.145 2.379 ( 0.000 -2.657 -7.812) 8.252 2.379 ( 0.000 -2.657 7.812) 8.252 2.625 ( 0.000 -0.078 -7.368) 7.368 2.625 ( 0.000 -0.078 7.368) 7.368 2.890 ( 0.000 2.793 -6.910) 7.453 2.890 ( 0.000 2.793 6.910) 7.453 3.039 ( 0.000 -5.575 -3.475) 6.569 3.039 ( 0.000 -5.575 3.475) 6.569 3.118 ( 0.000 -1.798 -8.802) 8.984 3.118 ( 0.000 -1.798 8.802) 8.984 3.168 ( 0.000 -0.874 -5.789) 5.855 3.168 ( 0.000 -0.874 5.789) 5.855 3.293 ( 0.000 -2.572 -1.263) 2.865 3.293 ( 0.000 -2.572 1.263) 2.865 3.449 ( 0.000 -0.046 -3.666) 3.666 3.449 ( 0.000 -0.046 3.666) 3.666 3.586 ( 0.000 -2.116 -3.290) 3.912 3.586 ( 0.000 -2.116 3.290) 3.912 3.706 ( 0.000 0.196 -0.407) 0.452 3.706 ( 0.000 0.196 0.407) 0.452 3.882 ( 0.000 10.204 -12.083) 15.815 3.882 ( 0.000 10.204 12.083) 15.815 4.048 ( 0.000 7.982 -4.649) 9.237 4.048 ( 0.000 7.982 4.649) 9.237 4.206 ( 0.000 -1.368 -1.247) 1.851 4.206 ( 0.000 -1.368 1.247) 1.851 4.261 ( 0.000 0.024 -9.102) 9.103 4.261 ( 0.000 0.024 9.103) 9.103 4.411 ( 0.000 3.134 -4.076) 5.142 4.411 ( 0.000 3.134 4.076) 5.142 4.593 ( 0.000 -3.642 -2.024) 4.167 4.593 ( 0.000 -3.642 2.024) 4.167 4.752 ( 0.000 -4.118 -5.042) 6.510 4.752 ( 0.000 -4.118 5.042) 6.510 4.912 ( 0.000 4.360 -2.719) 5.138 4.912 ( 0.000 4.360 2.719) 5.138 5.023 ( 0.000 2.011 -1.027) 2.258 5.023 ( 0.000 2.011 1.027) 2.258 5.203 ( 0.000 -1.690 -2.271) 2.831 5.203 ( 0.000 -1.690 2.271) 2.831 5.303 ( 0.000 -2.158 -2.900) 3.615 5.303 ( 0.000 -2.158 2.900) 3.615 5.380 ( 0.000 2.444 -0.876) 2.596 5.380 ( 0.000 2.444 0.876) 2.596 5.518 ( 0.000 -1.319 -2.143) 2.517 5.518 ( 0.000 -1.319 2.143) 2.517 5.670 ( 0.000 -1.293 -3.741) 3.958 5.670 ( 0.000 -1.293 3.741) 3.958 5.948 ( 0.000 3.007 -6.918) 7.543 5.948 ( 0.000 3.007 6.918) 7.543 6.435 ( 0.000 -4.580 -8.162) 9.359 6.435 ( 0.000 -4.580 8.162) 9.359 11.502 ( 0.000 -0.657 -0.491) 0.820 11.502 ( 0.000 -0.657 0.491) 0.820 11.574 ( 0.000 0.299 -1.786) 1.811 11.574 ( 0.000 0.299 1.786) 1.811 11.749 ( 0.000 -1.524 -3.408) 3.733 11.749 ( 0.000 -1.524 3.408) 3.734 11.825 ( 0.000 0.619 -0.384) 0.729 11.825 ( 0.000 0.619 0.384) 0.729 15.930 ( 0.000 -0.260 -0.393) 0.471 15.930 ( 0.000 -0.260 0.393) 0.471 15.954 ( 0.000 -1.674 -0.278) 1.697 15.954 ( 0.000 -1.674 0.278) 1.697 16.100 ( 0.000 0.723 -0.355) 0.805 16.100 ( 0.000 0.723 0.355) 0.805 16.198 ( 0.000 -0.950 -1.121) 1.469 16.198 ( 0.000 -0.950 1.121) 1.469 16.299 ( 0.000 2.942 -0.228) 2.951 16.299 ( 0.000 2.942 0.228) 2.951 16.372 ( 0.000 -1.228 -1.098) 1.647 16.372 ( 0.000 -1.228 1.098) 1.647 26.497 ( 0.000 0.050 -0.085) 0.098 26.497 ( 0.000 0.050 0.085) 0.098 26.524 ( 0.000 -0.080 -0.024) 0.084 26.524 ( 0.000 -0.080 0.024) 0.084 28.925 ( 0.000 -2.715 -2.689) 3.822 28.925 ( 0.000 -2.715 2.689) 3.822 29.134 ( 0.000 1.348 -1.994) 2.406 29.134 ( 0.000 1.348 1.994) 2.406 29.376 ( 0.000 -3.334 -3.003) 4.487 29.376 ( 0.000 -3.334 3.003) 4.487 29.752 ( 0.000 -2.306 -3.181) 3.929 29.752 ( 0.000 -2.306 3.181) 3.929 29.957 ( 0.000 0.469 -3.413) 3.445 29.957 ( 0.000 0.469 3.413) 3.445 30.668 ( 0.000 4.989 -2.860) 5.751 30.668 ( 0.000 4.989 2.860) 5.751======================= Grid point 152 (53/60) =======================q-point: ( 0.25 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( 1.058 12.357 -4.244) 13.108 1.528 ( 1.058 12.357 4.244) 13.108 1.849 ( 0.377 4.039 -3.233) 5.187 1.849 ( 0.377 4.039 3.233) 5.187 1.917 ( 5.342 4.071 -7.356) 9.961 1.917 ( 5.342 4.071 7.356) 9.961 2.260 ( 3.758 0.450 -10.502) 11.163 2.260 ( 3.758 0.450 10.502) 11.163 2.335 ( -2.955 1.644 -3.511) 4.875 2.335 ( -2.955 1.644 3.511) 4.875 2.546 ( -5.905 -2.177 -3.893) 7.400 2.546 ( -5.905 -2.177 3.893) 7.400 2.815 ( -4.661 2.065 -11.148) 12.258 2.815 ( -4.661 2.065 11.148) 12.258 2.918 ( -8.271 -2.108 -3.899) 9.383 2.918 ( -8.271 -2.108 3.899) 9.383 3.135 ( 1.862 -4.924 -3.046) 6.082 3.135 ( 1.862 -4.924 3.046) 6.082 3.179 ( 4.543 -3.881 -8.477) 10.371 3.179 ( 4.543 -3.881 8.477) 10.371 3.382 ( 3.053 -3.725 -3.507) 5.958 3.382 ( 3.053 -3.725 3.507) 5.958 3.466 ( -6.385 -3.150 -1.549) 7.286 3.466 ( -6.385 -3.150 1.549) 7.286 3.664 ( 13.461 -1.531 -6.654) 15.094 3.664 ( 13.461 -1.531 6.654) 15.094 3.784 ( 2.943 4.289 -2.680) 5.852 3.784 ( 2.943 4.289 2.680) 5.852 3.976 ( 2.611 7.128 -3.724) 8.455 3.976 ( 2.611 7.128 3.724) 8.455 3.996 ( 2.299 8.239 -4.234) 9.545 3.996 ( 2.299 8.240 4.234) 9.545 4.174 ( 0.420 -1.809 -1.805) 2.590 4.174 ( 0.420 -1.809 1.805) 2.590 4.309 ( -1.724 3.994 -1.764) 4.694 4.309 ( -1.724 3.994 1.764) 4.694 4.387 ( 0.098 1.422 -6.772) 6.920 4.387 ( 0.098 1.422 6.772) 6.920 4.612 ( -2.356 -1.016 -2.679) 3.710 4.612 ( -2.356 -1.016 2.679) 3.710 4.728 ( 0.216 -4.262 -2.742) 5.073 4.728 ( 0.216 -4.262 2.742) 5.073 4.842 ( -5.724 5.406 -5.573) 9.646 4.842 ( -5.724 5.406 5.573) 9.646 4.920 ( -3.924 2.163 -0.404) 4.499 4.920 ( -3.924 2.163 0.404) 4.499 5.142 ( -4.904 -1.796 -3.341) 6.200 5.142 ( -4.904 -1.796 3.341) 6.200 5.289 ( -0.638 -3.311 -3.721) 5.022 5.289 ( -0.638 -3.311 3.721) 5.022 5.473 ( 2.775 -0.195 -3.826) 4.731 5.473 ( 2.775 -0.195 3.826) 4.731 5.571 ( 5.576 1.589 -7.442) 9.434 5.571 ( 5.576 1.589 7.442) 9.434 5.696 ( 2.538 -1.649 -12.551) 12.911 5.696 ( 2.538 -1.649 12.551) 12.911 5.966 ( 0.385 1.613 -2.522) 3.018 5.966 ( 0.385 1.613 2.522) 3.019 6.394 ( -2.875 -4.328 -5.981) 7.923 6.394 ( -2.875 -4.328 5.981) 7.923 11.531 ( 2.553 -0.656 -1.774) 3.178 11.531 ( 2.553 -0.656 1.774) 3.178 11.610 ( 3.050 0.345 -1.578) 3.452 11.610 ( 3.050 0.345 1.578) 3.452 11.705 ( -3.573 -1.191 -3.456) 5.111 11.705 ( -3.573 -1.191 3.456) 5.111 11.790 ( -3.056 0.596 -0.608) 3.172 11.790 ( -3.056 0.596 0.608) 3.172 15.935 ( 0.404 -0.616 -0.304) 0.797 15.935 ( 0.404 -0.616 0.304) 0.797 15.956 ( 0.053 -2.093 -0.619) 2.184 15.956 ( 0.053 -2.093 0.619) 2.184 16.118 ( 1.287 1.542 -0.849) 2.180 16.118 ( 1.287 1.542 0.849) 2.180 16.201 ( 0.216 -0.787 -1.330) 1.560 16.201 ( 0.216 -0.787 1.330) 1.560 16.301 ( 0.254 2.170 -0.460) 2.232 16.301 ( 0.254 2.170 0.460) 2.232 16.359 ( -1.075 -1.057 -1.519) 2.140 16.359 ( -1.075 -1.057 1.519) 2.140 26.499 ( 0.199 0.023 -0.132) 0.240 26.499 ( 0.199 0.023 0.132) 0.240 26.518 ( -0.476 -0.069 -0.124) 0.496 26.518 ( -0.476 -0.069 0.124) 0.496 28.958 ( 2.742 -2.088 -2.464) 4.237 28.958 ( 2.742 -2.088 2.464) 4.237 29.111 ( -2.035 0.128 -1.999) 2.855 29.111 ( -2.035 0.128 1.999) 2.855 29.381 ( 0.397 -2.584 -2.274) 3.465 29.381 ( 0.397 -2.584 2.274) 3.465 29.701 ( -2.941 -5.176 -2.937) 6.638 29.701 ( -2.941 -5.176 2.937) 6.638 30.034 ( 4.942 5.445 -2.515) 7.771 30.034 ( 4.942 5.445 2.515) 7.771 30.627 ( -3.057 2.826 -2.128) 4.675 30.627 ( -3.057 2.826 2.128) 4.675======================= Grid point 154 (54/60) =======================q-point: (-0.50 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.543 ( -0.000 13.032 0.000) 13.032 1.543 ( 0.000 13.032 0.000) 13.032 1.842 ( 0.000 5.943 0.000) 5.943 1.842 ( 0.000 5.943 0.000) 5.943 2.078 ( 0.000 1.923 -0.000) 1.923 2.078 ( -0.000 1.923 0.000) 1.923 2.159 ( -0.000 6.337 0.000) 6.337 2.159 ( 0.000 6.337 0.000) 6.337 2.399 ( -0.000 2.571 -0.000) 2.571 2.399 ( 0.000 2.571 -0.000) 2.571 2.445 ( -0.000 -5.497 0.000) 5.497 2.445 ( 0.000 -5.497 0.000) 5.497 2.766 ( -0.000 3.093 0.000) 3.093 2.766 ( 0.000 3.093 0.000) 3.093 2.798 ( 0.000 -6.492 0.000) 6.492 2.798 ( -0.000 -6.492 0.000) 6.492 3.153 ( -0.000 -2.469 0.000) 2.469 3.153 ( 0.000 -2.469 0.000) 2.469 3.299 ( -0.000 -3.721 0.000) 3.721 3.299 ( 0.000 -3.721 0.000) 3.721 3.343 ( 0.000 -6.380 -0.000) 6.380 3.343 ( -0.000 -6.380 0.000) 6.380 3.412 ( 0.000 -4.980 0.000) 4.980 3.412 ( -0.000 -4.980 0.000) 4.980 3.783 ( 0.000 7.003 0.000) 7.003 3.783 ( 0.000 7.003 0.000) 7.003 3.914 ( 0.000 2.730 0.000) 2.730 3.914 ( 0.000 2.730 0.000) 2.730 3.942 ( -0.000 -3.963 -0.000) 3.963 3.942 ( -0.000 -3.963 0.000) 3.963 4.067 ( 0.000 2.864 0.000) 2.864 4.067 ( 0.000 2.864 0.000) 2.864 4.247 ( -3.821 7.305 -6.699) 10.623 4.247 ( 3.821 7.304 -6.698) 10.621 4.247 ( -3.821 7.310 6.698) 10.625 4.247 ( 3.821 7.309 6.699) 10.625 4.424 ( -0.000 -0.060 -0.000) 0.060 4.424 ( 0.000 -0.060 0.000) 0.060 4.465 ( 0.000 0.325 0.000) 0.325 4.465 ( -0.000 0.325 0.000) 0.325 4.735 ( 0.000 4.898 0.000) 4.898 4.735 ( 0.000 4.898 0.000) 4.898 4.783 ( 0.000 -1.958 0.000) 1.958 4.783 ( -0.000 -1.958 0.000) 1.958 4.956 ( -0.000 2.220 0.000) 2.220 4.956 ( 0.000 2.220 0.000) 2.220 4.993 ( -0.000 -2.567 0.000) 2.567 4.993 ( 0.000 -2.567 0.000) 2.567 5.292 ( -0.000 -3.379 0.000) 3.379 5.292 ( 0.000 -3.379 0.000) 3.379 5.499 ( 0.000 -0.049 0.000) 0.049 5.499 ( 0.000 -0.049 0.000) 0.049 5.682 ( 0.000 -0.244 0.000) 0.244 5.682 ( 0.000 -0.244 0.000) 0.244 5.715 ( -0.000 -1.452 -0.000) 1.452 5.715 ( 0.000 -1.452 0.000) 1.452 5.958 ( -0.000 1.150 0.000) 1.150 5.958 ( 0.000 1.150 0.000) 1.150 6.355 ( 0.000 -4.097 0.000) 4.097 6.355 ( 0.000 -4.097 0.000) 4.097 11.606 ( -0.000 -0.763 -0.000) 0.763 11.606 ( 0.000 -0.763 0.000) 0.763 11.613 ( 0.000 -0.912 0.000) 0.912 11.613 ( 0.000 -0.912 0.000) 0.912 11.690 ( -0.000 0.756 0.000) 0.756 11.690 ( 0.000 0.756 0.000) 0.756 11.714 ( -0.000 0.358 0.000) 0.358 11.714 ( 0.000 0.358 0.000) 0.358 15.942 ( -0.000 -0.358 0.000) 0.358 15.942 ( 0.000 -0.358 0.000) 0.358 15.956 ( -0.000 -3.075 0.000) 3.075 15.956 ( 0.000 -3.075 0.000) 3.075 16.135 ( 0.000 2.329 0.000) 2.329 16.135 ( 0.000 2.329 0.000) 2.329 16.205 ( -0.000 -0.229 0.000) 0.229 16.205 ( 0.000 -0.229 0.000) 0.229 16.311 ( -0.000 0.739 0.000) 0.739 16.311 ( 0.000 0.739 0.000) 0.739 16.337 ( -0.000 -0.629 -0.000) 0.629 16.337 ( 0.000 -0.629 -0.000) 0.629 26.505 ( 0.000 -0.012 0.000) 0.012 26.505 ( 0.000 -0.012 0.000) 0.012 26.507 ( -0.000 -0.051 -0.000) 0.051 26.507 ( -0.000 -0.051 0.000) 0.051 29.014 ( -0.000 0.249 0.000) 0.249 29.014 ( 0.000 0.249 0.000) 0.249 29.064 ( -0.000 -2.803 0.000) 2.803 29.064 ( 0.000 -2.803 0.000) 2.803 29.387 ( 0.000 -1.695 0.000) 1.695 29.387 ( -0.000 -1.695 0.000) 1.695 29.664 ( -0.000 -6.995 0.000) 6.995 29.664 ( 0.000 -6.995 0.000) 6.995 30.103 ( -0.000 10.243 0.000) 10.243 30.103 ( 0.000 10.243 0.000) 10.243 30.580 ( -0.000 -0.347 0.000) 0.347 30.580 ( 0.000 -0.347 0.000) 0.347======================= Grid point 160 (55/60) =======================q-point: ( 0.00 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( 0.000 6.396 -3.459) 7.271 1.736 ( 0.000 6.396 3.459) 7.271 1.867 ( 0.000 3.410 -6.363) 7.219 1.867 ( 0.000 3.410 6.363) 7.219 1.970 ( 0.000 3.177 -4.310) 5.354 1.970 ( 0.000 3.177 4.310) 5.354 2.289 ( 0.000 8.718 -0.542) 8.735 2.289 ( 0.000 8.718 0.542) 8.735 2.343 ( 0.000 0.456 -1.407) 1.479 2.343 ( 0.000 0.456 1.407) 1.479 2.605 ( 0.000 -1.815 -1.962) 2.673 2.605 ( 0.000 -1.815 1.962) 2.673 2.850 ( 0.000 -9.423 -2.952) 9.875 2.850 ( 0.000 -9.423 2.952) 9.875 2.904 ( 0.000 -7.573 -4.490) 8.804 2.904 ( 0.000 -7.573 4.490) 8.804 3.047 ( 0.000 -1.723 -10.511) 10.652 3.047 ( 0.000 -1.723 10.511) 10.652 3.141 ( 0.000 -1.546 -6.980) 7.149 3.141 ( 0.000 -1.546 6.980) 7.149 3.283 ( 0.000 1.702 -1.224) 2.096 3.283 ( 0.000 1.702 1.224) 2.096 3.538 ( 0.000 9.058 -8.086) 12.142 3.538 ( 0.000 9.058 8.086) 12.142 3.642 ( 0.000 5.794 -0.326) 5.803 3.642 ( 0.000 5.794 0.326) 5.803 3.725 ( 0.000 1.432 -1.823) 2.318 3.725 ( 0.000 1.432 1.823) 2.318 3.995 ( 0.000 -0.043 -8.161) 8.161 3.995 ( 0.000 -0.043 8.161) 8.161 4.113 ( 0.000 -3.863 -4.157) 5.674 4.113 ( 0.000 -3.863 4.157) 5.674 4.184 ( 0.000 -2.290 -3.177) 3.916 4.184 ( 0.000 -2.290 3.177) 3.916 4.321 ( 0.000 8.157 -2.512) 8.535 4.321 ( 0.000 8.157 2.512) 8.535 4.452 ( 0.000 0.350 -1.222) 1.271 4.452 ( 0.000 0.350 1.222) 1.271 4.569 ( 0.000 1.382 -4.011) 4.242 4.569 ( 0.000 1.382 4.011) 4.242 4.685 ( 0.000 -2.046 -2.051) 2.897 4.685 ( 0.000 -2.046 2.051) 2.897 5.003 ( 0.000 4.488 -5.201) 6.869 5.003 ( 0.000 4.488 5.201) 6.869 5.082 ( 0.000 3.916 -2.107) 4.447 5.082 ( 0.000 3.916 2.107) 4.447 5.177 ( 0.000 -0.775 -4.013) 4.088 5.177 ( 0.000 -0.775 4.013) 4.088 5.240 ( 0.000 -3.398 -1.048) 3.556 5.240 ( 0.000 -3.398 1.048) 3.556 5.396 ( 0.000 -2.363 -0.967) 2.553 5.396 ( 0.000 -2.363 0.967) 2.553 5.491 ( 0.000 -0.727 -1.857) 1.994 5.491 ( 0.000 -0.727 1.857) 1.994 5.639 ( 0.000 -1.389 -3.688) 3.940 5.639 ( 0.000 -1.389 3.688) 3.940 6.015 ( 0.000 2.901 -5.121) 5.886 6.015 ( 0.000 2.901 5.121) 5.886 6.327 ( 0.000 -5.013 -3.935) 6.373 6.327 ( 0.000 -5.013 3.935) 6.373 11.489 ( 0.000 -0.570 -0.190) 0.601 11.489 ( 0.000 -0.570 0.190) 0.601 11.580 ( 0.000 0.223 -0.949) 0.975 11.580 ( 0.000 0.223 0.949) 0.975 11.717 ( 0.000 -1.318 -2.305) 2.655 11.717 ( 0.000 -1.318 2.305) 2.655 11.839 ( 0.000 0.568 -0.198) 0.601 11.839 ( 0.000 0.568 0.198) 0.601 15.914 ( 0.000 -0.596 -0.070) 0.600 15.914 ( 0.000 -0.596 0.070) 0.600 15.944 ( 0.000 -0.069 -0.156) 0.171 15.944 ( 0.000 -0.069 0.156) 0.171 16.094 ( 0.000 -0.981 -1.510) 1.800 16.094 ( 0.000 -0.981 1.510) 1.800 16.209 ( 0.000 1.991 -0.304) 2.014 16.209 ( 0.000 1.991 0.304) 2.014 16.327 ( 0.000 -2.276 -2.071) 3.077 16.327 ( 0.000 -2.276 2.071) 3.077 16.355 ( 0.000 1.374 -0.883) 1.633 16.355 ( 0.000 1.374 0.883) 1.633 26.498 ( 0.000 0.057 -0.060) 0.083 26.498 ( 0.000 0.057 0.060) 0.083 26.522 ( 0.000 -0.056 -0.001) 0.056 26.522 ( 0.000 -0.056 0.001) 0.056 28.867 ( 0.000 -2.309 -0.786) 2.439 28.867 ( 0.000 -2.309 0.786) 2.439 29.181 ( 0.000 2.762 -0.227) 2.772 29.181 ( 0.000 2.762 0.227) 2.772 29.279 ( 0.000 -4.813 -2.329) 5.347 29.279 ( 0.000 -4.813 2.329) 5.347 29.678 ( 0.000 -4.176 -0.915) 4.275 29.678 ( 0.000 -4.176 0.915) 4.275 30.004 ( 0.000 3.176 -0.866) 3.292 30.004 ( 0.000 3.176 0.866) 3.292 30.766 ( 0.000 3.790 -1.827) 4.208 30.766 ( 0.000 3.790 1.827) 4.208======================= Grid point 162 (56/60) =======================q-point: ( 0.25 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.791 ( 3.804 9.342 -3.513) 10.681 1.791 ( 3.804 9.342 3.513) 10.681 1.934 ( 4.570 6.249 -4.761) 9.088 1.934 ( 4.570 6.249 4.761) 9.088 2.018 ( 4.388 4.074 -5.030) 7.820 2.018 ( 4.388 4.074 5.030) 7.820 2.280 ( -0.948 1.007 -4.999) 5.186 2.280 ( -0.948 1.007 4.999) 5.186 2.385 ( 4.873 5.493 -7.308) 10.360 2.385 ( 4.873 5.493 7.308) 10.360 2.557 ( -4.662 -0.979 -2.092) 5.202 2.557 ( -4.661 -0.979 2.092) 5.202 2.717 ( -10.482 -5.435 -5.192) 12.898 2.717 ( -10.482 -5.435 5.192) 12.898 2.885 ( -4.467 -7.744 -2.195) 9.206 2.885 ( -4.467 -7.744 2.195) 9.206 2.968 ( -0.368 -3.943 -1.380) 4.194 2.968 ( -0.368 -3.943 1.380) 4.194 3.183 ( 4.530 2.319 -6.119) 7.958 3.183 ( 4.530 2.319 6.119) 7.958 3.296 ( -5.730 -3.366 -2.971) 7.279 3.296 ( -5.730 -3.366 2.971) 7.279 3.460 ( -2.662 -1.625 -0.637) 3.183 3.460 ( -2.662 -1.625 0.637) 3.183 3.666 ( 8.658 4.684 -7.066) 12.117 3.666 ( 8.658 4.684 7.066) 12.117 3.885 ( 4.325 3.144 -7.807) 9.463 3.885 ( 4.325 3.144 7.807) 9.463 4.023 ( 1.121 -1.353 -6.416) 6.652 4.023 ( 1.121 -1.353 6.416) 6.652 4.120 ( -0.023 2.088 -4.120) 4.619 4.120 ( -0.023 2.088 4.120) 4.619 4.191 ( 1.209 3.375 -0.466) 3.615 4.191 ( 1.209 3.375 0.466) 3.615 4.375 ( 3.995 2.084 -1.260) 4.679 4.375 ( 3.995 2.084 1.260) 4.679 4.427 ( 0.132 1.808 -2.251) 2.890 4.427 ( 0.132 1.808 2.251) 2.890 4.633 ( 1.524 -0.805 -2.088) 2.708 4.633 ( 1.524 -0.805 2.088) 2.708 4.658 ( 1.363 1.418 -2.061) 2.849 4.658 ( 1.363 1.418 2.061) 2.849 4.914 ( -8.063 1.305 -2.407) 8.515 4.914 ( -8.063 1.305 2.407) 8.515 5.001 ( -3.776 5.068 -1.916) 6.604 5.001 ( -3.776 5.068 1.916) 6.604 5.113 ( -6.336 -0.473 -3.305) 7.162 5.113 ( -6.336 -0.473 3.305) 7.162 5.235 ( 1.837 -0.414 -3.740) 4.187 5.235 ( 1.837 -0.414 3.740) 4.187 5.478 ( 1.786 -0.335 -2.445) 3.046 5.478 ( 1.786 -0.335 2.445) 3.046 5.536 ( 5.896 -5.199 -9.223) 12.119 5.536 ( 5.896 -5.199 9.223) 12.119 5.664 ( 0.856 -0.768 -7.949) 8.031 5.664 ( 0.856 -0.768 7.949) 8.031 6.013 ( 0.051 2.680 -3.072) 4.077 6.013 ( 0.051 2.680 3.072) 4.077 6.288 ( -2.834 -5.136 -3.064) 6.618 6.288 ( -2.834 -5.136 3.064) 6.618 11.518 ( 2.532 -0.558 -0.955) 2.763 11.518 ( 2.532 -0.558 0.955) 2.763 11.618 ( 3.156 0.343 -0.899) 3.299 11.618 ( 3.156 0.343 0.899) 3.299 11.680 ( -3.060 -1.110 -2.259) 3.962 11.680 ( -3.060 -1.110 2.259) 3.962 11.802 ( -3.138 0.522 -0.348) 3.200 11.802 ( -3.138 0.522 0.348) 3.200 15.910 ( -0.224 -0.866 -0.177) 0.911 15.910 ( -0.224 -0.866 0.177) 0.911 15.935 ( -0.579 -0.807 -0.428) 1.081 15.935 ( -0.579 -0.807 0.428) 1.081 16.137 ( 3.167 0.276 -1.481) 3.507 16.137 ( 3.167 0.276 1.481) 3.507 16.209 ( 0.036 1.835 -0.896) 2.042 16.209 ( 0.036 1.835 0.896) 2.042 16.320 ( -0.462 -2.086 -1.749) 2.761 16.320 ( -0.462 -2.086 1.749) 2.761 16.339 ( -1.377 0.757 -0.636) 1.695 16.339 ( -1.377 0.757 0.636) 1.695 26.499 ( 0.152 0.031 -0.083) 0.176 26.499 ( 0.152 0.031 0.083) 0.176 26.516 ( -0.456 -0.047 -0.071) 0.463 26.516 ( -0.456 -0.047 0.071) 0.463 28.910 ( 3.644 -1.993 -0.594) 4.196 28.910 ( 3.644 -1.993 0.594) 4.196 29.121 ( -4.317 0.356 -0.261) 4.340 29.121 ( -4.317 0.356 0.261) 4.340 29.321 ( 2.720 -2.103 -2.105) 4.032 29.321 ( 2.720 -2.103 2.105) 4.032 29.594 ( -5.164 -4.813 -2.309) 7.427 29.594 ( -5.164 -4.813 2.309) 7.427 30.145 ( 9.907 4.659 -1.310) 11.026 30.145 ( 9.907 4.659 1.310) 11.026 30.686 ( -6.588 2.418 -1.493) 7.175 30.686 ( -6.588 2.418 1.493) 7.175======================= Grid point 164 (57/60) =======================q-point: (-0.50 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.850 ( -0.000 14.994 0.000) 14.994 1.850 ( 0.000 14.994 0.000) 14.994 1.967 ( -0.000 5.454 0.000) 5.454 1.967 ( 0.000 5.454 0.000) 5.454 2.129 ( 0.000 2.678 -0.000) 2.678 2.129 ( -0.000 2.678 0.000) 2.678 2.320 ( -0.000 6.706 -0.000) 6.706 2.320 ( 0.000 6.706 0.000) 6.706 2.390 ( -0.000 0.239 0.000) 0.239 2.390 ( 0.000 0.239 0.000) 0.239 2.478 ( 0.000 3.893 0.000) 3.893 2.478 ( 0.000 3.893 0.000) 3.893 2.597 ( 0.000 -9.517 0.000) 9.517 2.597 ( 0.000 -9.517 0.000) 9.517 2.773 ( 0.000 -1.262 0.000) 1.262 2.773 ( 0.000 -1.262 0.000) 1.262 3.056 ( -0.000 -6.467 0.000) 6.467 3.056 ( 0.000 -6.467 0.000) 6.467 3.100 ( -0.000 -11.224 -0.000) 11.224 3.100 ( 0.000 -11.224 -0.000) 11.224 3.298 ( -0.000 1.869 0.000) 1.869 3.298 ( 0.000 1.869 0.000) 1.869 3.436 ( 0.000 1.109 0.000) 1.109 3.436 ( -0.000 1.109 0.000) 1.109 3.820 ( -0.000 -0.496 -0.000) 0.496 3.820 ( 0.000 -0.496 0.000) 0.496 3.923 ( 0.000 -1.228 0.000) 1.228 3.923 ( 0.000 -1.228 0.000) 1.228 3.985 ( -0.000 6.426 -0.000) 6.426 3.985 ( 0.000 6.426 0.000) 6.426 4.096 ( -0.000 -0.339 0.000) 0.339 4.096 ( 0.000 -0.339 0.000) 0.339 4.269 ( 0.000 -1.966 0.000) 1.966 4.269 ( -0.000 -1.966 0.000) 1.966 4.393 ( 0.000 -0.211 0.000) 0.211 4.393 ( -0.000 -0.211 0.000) 0.211 4.495 ( -0.000 7.311 -0.000) 7.311 4.495 ( 0.000 7.311 0.000) 7.311 4.547 ( -0.000 8.475 0.000) 8.475 4.547 ( 0.000 8.475 0.000) 8.475 4.774 ( -0.000 1.550 0.000) 1.550 4.774 ( 0.000 1.550 0.000) 1.550 4.837 ( -0.000 2.848 0.000) 2.848 4.837 ( 0.000 2.848 0.000) 2.848 4.938 ( -0.000 -2.216 0.000) 2.216 4.938 ( 0.000 -2.216 0.000) 2.216 4.970 ( -0.000 -1.254 0.000) 1.254 4.970 ( 0.000 -1.254 0.000) 1.254 5.269 ( -0.000 2.756 0.000) 2.756 5.269 ( 0.000 2.756 0.000) 2.756 5.498 ( 0.000 -0.628 0.000) 0.628 5.498 ( 0.000 -0.628 0.000) 0.628 5.636 ( 0.000 -5.410 0.000) 5.410 5.636 ( -0.000 -5.410 0.000) 5.410 5.651 ( 0.000 -2.723 -0.000) 2.723 5.651 ( 0.000 -2.723 -0.000) 2.723 6.016 ( 0.000 4.317 0.000) 4.317 6.016 ( 0.000 4.317 0.000) 4.317 6.246 ( 0.000 -6.024 0.000) 6.024 6.246 ( -0.000 -6.024 0.000) 6.024 11.591 ( -0.000 -0.561 -0.000) 0.561 11.591 ( 0.000 -0.561 -0.000) 0.561 11.595 ( -0.000 -0.746 0.000) 0.746 11.595 ( 0.000 -0.746 0.000) 0.746 11.705 ( -0.000 0.701 0.000) 0.701 11.705 ( 0.000 0.701 0.000) 0.701 11.719 ( -0.000 0.092 0.000) 0.092 11.719 ( 0.000 0.092 0.000) 0.092 15.907 ( -0.000 -1.281 0.000) 1.281 15.907 ( 0.000 -1.281 0.000) 1.281 15.927 ( 0.000 -1.116 0.000) 1.116 15.927 ( -0.000 -1.116 0.000) 1.116 16.187 ( -0.000 2.531 -0.000) 2.531 16.187 ( 0.000 2.531 -0.000) 2.531 16.211 ( -0.000 0.906 0.000) 0.906 16.211 ( 0.000 0.906 0.000) 0.906 16.311 ( -0.000 -0.813 0.000) 0.813 16.311 ( 0.000 -0.813 0.000) 0.813 16.315 ( -0.000 -1.449 -0.000) 1.449 16.315 ( 0.000 -1.449 -0.000) 1.449 26.505 ( -0.000 0.010 0.000) 0.010 26.505 ( 0.000 0.010 0.000) 0.010 26.506 ( -0.000 -0.042 -0.000) 0.042 26.506 ( 0.000 -0.042 0.000) 0.042 29.012 ( -0.000 -1.775 -0.000) 1.775 29.012 ( 0.000 -1.775 -0.000) 1.775 29.013 ( -0.000 -0.484 0.000) 0.484 29.013 ( 0.000 -0.484 0.000) 0.484 29.363 ( 0.000 0.095 0.000) 0.095 29.363 ( 0.000 0.095 0.000) 0.095 29.522 ( -0.000 -6.561 0.000) 6.561 29.522 ( 0.000 -6.561 0.000) 6.561 30.314 ( -0.000 9.567 0.000) 9.567 30.314 ( 0.000 9.567 0.000) 9.567 30.557 ( -0.000 -2.223 0.000) 2.223 30.557 ( 0.000 -2.223 0.000) 2.223======================= Grid point 170 (58/60) =======================q-point: ( 0.00 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 -0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.672 ( 0.000 -0.000 0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 -0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 -0.000 -0.000) 0.000 3.075 ( 0.000 0.000 -0.000) 0.000 3.080 ( 0.000 -0.000 0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 -0.000 -0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 -0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 4.004 ( 0.000 -0.000 -0.000) 0.000 4.004 ( 0.000 -0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.443 ( 0.000 -0.000 -0.000) 0.000 4.443 ( 0.000 -0.000 0.000) 0.000 4.588 ( 0.000 0.000 0.000) 0.000 4.588 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 -0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 -0.000 -0.000) 0.000 5.098 ( 0.000 0.000 -0.000) 0.000 5.197 ( 0.000 0.000 0.000) 0.000 5.197 ( 0.000 -0.000 0.000) 0.000 5.227 ( 0.000 -0.000 -0.000) 0.000 5.227 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 -0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.624 ( 0.000 -0.000 0.000) 0.000 5.624 ( 0.000 0.000 0.000) 0.000 6.048 ( 0.000 0.000 0.000) 0.000 6.048 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 11.482 ( 0.000 0.000 0.000) 0.000 11.482 ( 0.000 0.000 0.000) 0.000 11.583 ( 0.000 0.000 0.000) 0.000 11.583 ( 0.000 0.000 0.000) 0.000 11.703 ( 0.000 0.000 0.000) 0.000 11.703 ( 0.000 0.000 0.000) 0.000 11.845 ( 0.000 0.000 0.000) 0.000 11.845 ( 0.000 0.000 0.000) 0.000 15.910 ( 0.000 0.000 0.000) 0.000 15.910 ( 0.000 0.000 0.000) 0.000 15.942 ( 0.000 0.000 0.000) 0.000 15.942 ( 0.000 0.000 0.000) 0.000 16.081 ( 0.000 0.000 0.000) 0.000 16.081 ( 0.000 0.000 0.000) 0.000 16.266 ( 0.000 -0.000 -0.000) 0.000 16.266 ( 0.000 -0.000 0.000) 0.000 16.266 ( 0.000 0.000 -0.000) 0.000 16.266 ( 0.000 0.000 0.000) 0.000 16.371 ( 0.000 0.000 0.000) 0.000 16.371 ( 0.000 0.000 0.000) 0.000 26.499 ( 0.000 0.000 0.000) 0.000 26.499 ( 0.000 0.000 0.000) 0.000 26.522 ( 0.000 -0.000 0.000) 0.000 26.522 ( 0.000 0.000 0.000) 0.000 28.843 ( 0.000 0.000 0.000) 0.000 28.843 ( 0.000 0.000 0.000) 0.000 29.213 ( 0.000 0.000 0.000) 0.000 29.213 ( 0.000 0.000 0.000) 0.000 29.227 ( 0.000 -0.000 0.000) 0.000 29.227 ( 0.000 0.000 0.000) 0.000 29.625 ( 0.000 0.000 0.000) 0.000 29.625 ( 0.000 0.000 0.000) 0.000 30.043 ( 0.000 0.000 0.000) 0.000 30.043 ( 0.000 0.000 0.000) 0.000 30.806 ( 0.000 0.000 0.000) 0.000 30.806 ( 0.000 0.000 0.000) 0.000======================= Grid point 174 (59/60) =======================q-point: ( 0.25 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( 6.079 0.000 0.000) 6.079 1.865 ( 6.079 0.000 0.000) 6.079 2.008 ( 11.403 0.000 0.000) 11.403 2.008 ( 11.403 0.000 0.000) 11.403 2.112 ( 3.479 0.000 0.000) 3.479 2.112 ( 3.479 0.000 0.000) 3.479 2.295 ( -4.368 0.000 0.000) 4.368 2.295 ( -4.368 0.000 0.000) 4.368 2.461 ( -6.515 0.000 0.000) 6.515 2.461 ( -6.515 0.000 0.000) 6.515 2.532 ( 1.608 0.000 0.000) 1.608 2.532 ( 1.608 0.000 0.000) 1.608 2.666 ( 0.916 -0.000 0.000) 0.916 2.666 ( 0.916 0.000 0.000) 0.916 2.731 ( -3.429 -0.000 0.000) 3.429 2.731 ( -3.429 0.000 0.000) 3.429 2.951 ( -7.684 0.000 0.000) 7.684 2.951 ( -7.684 0.000 0.000) 7.684 3.197 ( 6.713 0.000 0.000) 6.713 3.197 ( 6.713 0.000 0.000) 6.713 3.310 ( -16.285 0.000 0.000) 16.285 3.310 ( -16.285 0.000 0.000) 16.285 3.394 ( 3.210 0.000 0.000) 3.210 3.394 ( 3.210 0.000 0.000) 3.210 3.782 ( 4.668 -0.000 0.000) 4.668 3.782 ( 4.668 -0.000 0.000) 4.668 3.857 ( 0.482 0.000 -0.000) 0.482 3.857 ( 0.482 0.000 0.000) 0.482 4.041 ( 1.965 -0.000 0.000) 1.965 4.041 ( 1.965 0.000 0.000) 1.965 4.094 ( 4.804 0.000 -0.000) 4.804 4.094 ( 4.804 0.000 0.000) 4.804 4.262 ( 1.934 0.000 0.000) 1.934 4.262 ( 1.934 0.000 0.000) 1.934 4.395 ( -3.961 -0.000 -0.000) 3.961 4.395 ( -3.961 0.000 0.000) 3.961 4.422 ( 6.158 0.000 0.000) 6.158 4.422 ( 6.158 0.000 0.000) 6.158 4.648 ( 5.004 0.000 0.000) 5.004 4.648 ( 5.004 0.000 0.000) 5.004 4.672 ( 2.803 -0.000 0.000) 2.803 4.672 ( 2.803 -0.000 0.000) 2.803 4.927 ( -10.437 0.000 0.000) 10.437 4.927 ( -10.437 0.000 0.000) 10.437 5.048 ( -5.267 -0.000 0.000) 5.267 5.048 ( -5.267 0.000 0.000) 5.267 5.111 ( -7.203 -0.000 0.000) 7.203 5.111 ( -7.203 0.000 0.000) 7.203 5.333 ( 7.332 0.000 -0.000) 7.332 5.333 ( 7.332 0.000 0.000) 7.332 5.356 ( 2.855 -0.000 0.000) 2.855 5.356 ( 2.855 -0.000 0.000) 2.855 5.496 ( 1.242 0.000 0.000) 1.242 5.496 ( 1.242 0.000 0.000) 1.242 5.658 ( 0.659 0.000 0.000) 0.659 5.658 ( 0.659 0.000 0.000) 0.659 6.050 ( 1.135 0.000 0.000) 1.135 6.050 ( 1.135 0.000 0.000) 1.135 6.224 ( -3.735 0.000 0.000) 3.735 6.224 ( -3.735 0.000 0.000) 3.735 11.512 ( 2.531 0.000 0.000) 2.531 11.512 ( 2.531 0.000 0.000) 2.531 11.622 ( 3.382 0.000 0.000) 3.382 11.622 ( 3.382 0.000 0.000) 3.382 11.667 ( -3.007 0.000 0.000) 3.007 11.667 ( -3.007 0.000 0.000) 3.007 11.808 ( -3.194 0.000 0.000) 3.194 11.808 ( -3.194 0.000 0.000) 3.194 15.906 ( -0.287 -0.000 0.000) 0.287 15.906 ( -0.287 0.000 0.000) 0.287 15.921 ( -1.189 0.000 0.000) 1.189 15.921 ( -1.189 0.000 0.000) 1.189 16.139 ( 4.210 0.000 0.000) 4.210 16.139 ( 4.210 0.000 0.000) 4.210 16.258 ( -0.731 -0.000 -0.000) 0.731 16.258 ( -0.731 0.000 0.000) 0.731 16.269 ( 0.361 0.000 0.000) 0.361 16.269 ( 0.361 0.000 0.000) 0.361 16.348 ( -2.061 0.000 0.000) 2.061 16.348 ( -2.061 0.000 0.000) 2.061 26.500 ( 0.130 0.000 0.000) 0.130 26.500 ( 0.130 0.000 0.000) 0.130 26.516 ( -0.447 -0.000 0.000) 0.447 26.516 ( -0.447 0.000 0.000) 0.447 28.889 ( 3.937 0.000 0.000) 3.937 28.889 ( 3.937 0.000 0.000) 3.937 29.120 ( -5.034 0.000 0.000) 5.034 29.120 ( -5.034 0.000 0.000) 5.034 29.308 ( 4.019 0.000 0.000) 4.019 29.308 ( 4.019 0.000 0.000) 4.019 29.535 ( -6.038 0.000 0.000) 6.038 29.535 ( -6.038 0.000 0.000) 6.038 30.197 ( 11.460 0.000 0.000) 11.460 30.197 ( 11.460 0.000 0.000) 11.460 30.713 ( -8.067 0.000 0.000) 8.067 30.713 ( -8.067 0.000 0.000) 8.067======================= Grid point 178 (60/60) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.034 ( -8.184 -0.046 0.000) 8.184 2.034 ( -8.184 -0.046 0.000) 8.184 2.034 ( 8.184 0.046 0.000) 8.184 2.034 ( 8.184 0.046 0.000) 8.184 2.262 ( -3.831 -11.365 0.000) 11.993 2.262 ( -3.831 -11.365 0.000) 11.993 2.262 ( 3.831 11.365 0.000) 11.993 2.262 ( 3.831 11.365 0.000) 11.993 2.404 ( -11.703 -0.018 0.000) 11.703 2.404 ( -11.703 -0.018 0.000) 11.703 2.404 ( 11.703 0.018 0.000) 11.703 2.404 ( 11.703 0.018 0.000) 11.703 2.710 ( -0.178 -7.636 0.000) 7.639 2.710 ( -0.178 -7.636 0.000) 7.639 2.710 ( 0.178 7.636 0.000) 7.639 2.710 ( 0.178 7.636 0.000) 7.639 2.951 ( -10.562 -0.031 0.000) 10.562 2.951 ( -10.562 -0.031 0.000) 10.562 2.951 ( 10.562 0.031 0.000) 10.562 2.951 ( 10.562 0.031 0.000) 10.562 3.380 ( -2.297 -4.461 0.000) 5.018 3.380 ( -2.297 -4.461 0.000) 5.018 3.380 ( 2.297 4.461 0.000) 5.018 3.380 ( 2.297 4.461 0.000) 5.018 3.869 ( -0.189 -3.747 0.000) 3.752 3.869 ( -0.189 -3.747 0.000) 3.752 3.869 ( 0.189 3.747 0.000) 3.752 3.869 ( 0.189 3.747 0.000) 3.752 4.074 ( -1.488 -1.490 0.000) 2.105 4.074 ( -1.488 -1.490 0.000) 2.105 4.074 ( 1.488 1.490 0.000) 2.105 4.074 ( 1.488 1.490 0.000) 2.105 4.297 ( -1.499 -4.731 0.000) 4.962 4.297 ( -1.499 -4.731 0.000) 4.962 4.297 ( 1.499 4.731 0.000) 4.962 4.297 ( 1.499 4.731 0.000) 4.962 4.639 ( -7.833 -0.629 0.000) 7.858 4.639 ( -7.833 -0.629 0.000) 7.858 4.639 ( 7.833 0.629 0.000) 7.858 4.639 ( 7.833 0.629 0.000) 7.858 4.817 ( -1.999 -2.167 0.000) 2.948 4.817 ( -1.999 -2.167 0.000) 2.948 4.817 ( 1.999 2.167 0.000) 2.948 4.817 ( 1.999 2.167 0.000) 2.948 4.933 ( -0.672 -1.541 0.000) 1.681 4.933 ( -0.672 -1.541 0.000) 1.681 4.933 ( 0.672 1.541 0.000) 1.681 4.933 ( 0.672 1.541 0.000) 1.681 5.401 ( -0.045 -8.234 0.000) 8.234 5.401 ( -0.045 -8.234 0.000) 8.234 5.401 ( 0.045 8.234 0.000) 8.234 5.401 ( 0.045 8.234 0.000) 8.234 5.594 ( -4.987 -0.929 0.000) 5.073 5.594 ( -4.987 -0.929 0.000) 5.073 5.594 ( 4.987 0.929 0.000) 5.073 5.594 ( 4.987 0.929 0.000) 5.073 6.122 ( -1.813 -5.367 0.000) 5.665 6.122 ( -1.813 -5.367 0.000) 5.665 6.122 ( 1.813 5.367 0.000) 5.665 6.122 ( 1.813 5.367 0.000) 5.665 11.586 ( -3.867 -0.006 0.000) 3.867 11.586 ( -3.867 -0.006 0.000) 3.867 11.586 ( 3.867 0.006 0.000) 3.867 11.586 ( 3.867 0.006 0.000) 3.867 11.716 ( -4.599 -0.052 0.000) 4.599 11.716 ( -4.599 -0.052 0.000) 4.599 11.716 ( 4.599 0.052 0.000) 4.599 11.716 ( 4.599 0.052 0.000) 4.599 15.904 ( -0.045 -0.763 0.000) 0.765 15.904 ( -0.045 -0.763 0.000) 0.765 15.904 ( 0.045 0.763 0.000) 0.765 15.904 ( 0.045 0.763 0.000) 0.765 16.225 ( -2.540 -0.167 0.000) 2.546 16.225 ( -2.540 -0.167 0.000) 2.546 16.225 ( 2.540 0.167 0.000) 2.546 16.225 ( 2.540 0.167 0.000) 2.546 16.293 ( -2.143 -0.003 0.000) 2.143 16.293 ( -2.143 -0.003 0.000) 2.143 16.293 ( 2.143 0.003 0.000) 2.143 16.293 ( 2.143 0.003 0.000) 2.143 26.506 ( -0.402 -0.004 0.000) 0.402 26.506 ( -0.402 -0.004 0.000) 0.402 26.506 ( 0.402 0.004 0.000) 0.402 26.506 ( 0.402 0.004 0.000) 0.402 28.999 ( -5.509 -0.068 0.000) 5.509 28.999 ( -5.509 -0.068 0.000) 5.509 28.999 ( 5.509 0.068 0.000) 5.509 28.999 ( 5.509 0.068 0.000) 5.509 29.408 ( -2.694 -3.538 0.000) 4.447 29.408 ( -2.694 -3.538 0.000) 4.447 29.408 ( 2.694 3.538 0.000) 4.447 29.408 ( 2.694 3.538 0.000) 4.447 30.476 ( -9.099 -4.073 0.000) 9.969 30.476 ( -9.099 -4.073 0.000) 9.969 30.476 ( 9.099 4.073 0.000) 9.969 30.476 ( 9.099 4.073 0.000) 9.969=================== 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 3/18432 10.0 387.663 368.986 431.221 0.000 0.000 0.000 3/18432 20.0 39.916 30.573 33.335 0.000 0.000 0.000 3/18432 30.0 13.120 9.712 10.899 0.000 0.000 0.000 3/18432 40.0 6.895 5.121 5.810 0.000 0.000 0.000 3/18432 50.0 4.543 3.410 3.873 0.000 0.000 0.000 3/18432 60.0 3.387 2.570 2.911 0.000 0.000 0.000 3/18432 70.0 2.716 2.080 2.347 0.000 0.000 0.000 3/18432 80.0 2.280 1.760 1.979 0.000 0.000 0.000 3/18432 90.0 1.975 1.533 1.719 0.000 0.000 0.000 3/18432 100.0 1.748 1.363 1.524 0.000 0.000 0.000 3/18432 110.0 1.571 1.230 1.372 0.000 0.000 0.000 3/18432 120.0 1.430 1.122 1.250 0.000 0.000 0.000 3/18432 130.0 1.314 1.033 1.150 0.000 0.000 0.000 3/18432 140.0 1.217 0.958 1.065 0.000 0.000 0.000 3/18432 150.0 1.134 0.894 0.993 0.000 0.000 0.000 3/18432 160.0 1.062 0.839 0.930 0.000 0.000 0.000 3/18432 170.0 1.000 0.791 0.876 0.000 0.000 0.000 3/18432 180.0 0.945 0.749 0.828 0.000 0.000 0.000 3/18432 190.0 0.897 0.712 0.785 0.000 0.000 0.000 3/18432 200.0 0.854 0.679 0.747 0.000 0.000 0.000 3/18432 210.0 0.815 0.649 0.712 0.000 0.000 0.000 3/18432 220.0 0.780 0.623 0.681 0.000 0.000 0.000 3/18432 230.0 0.749 0.599 0.653 0.000 0.000 0.000 3/18432 240.0 0.720 0.577 0.627 0.000 0.000 0.000 3/18432 250.0 0.693 0.558 0.604 0.000 0.000 0.000 3/18432 260.0 0.669 0.540 0.582 0.000 0.000 0.000 3/18432 270.0 0.647 0.523 0.562 0.000 0.000 0.000 3/18432 280.0 0.626 0.508 0.544 0.000 0.000 0.000 3/18432 290.0 0.607 0.494 0.527 0.000 0.000 0.000 3/18432 300.0 0.589 0.481 0.511 0.000 0.000 0.000 3/18432 310.0 0.573 0.469 0.496 0.000 0.000 0.000 3/18432 320.0 0.557 0.458 0.482 0.000 0.000 0.000 3/18432 330.0 0.543 0.447 0.469 0.000 0.000 0.000 3/18432 340.0 0.529 0.437 0.456 0.000 0.000 0.000 3/18432 350.0 0.516 0.428 0.444 0.000 0.000 0.000 3/18432 360.0 0.504 0.419 0.433 0.000 0.000 0.000 3/18432 370.0 0.492 0.411 0.423 0.000 0.000 0.000 3/18432 380.0 0.481 0.403 0.413 0.000 0.000 0.000 3/18432 390.0 0.471 0.395 0.404 0.000 0.000 0.000 3/18432 400.0 0.461 0.388 0.395 0.000 0.000 0.000 3/18432 410.0 0.451 0.381 0.386 0.000 0.000 0.000 3/18432 420.0 0.442 0.374 0.378 0.000 0.000 0.000 3/18432 430.0 0.433 0.368 0.370 0.000 0.000 0.000 3/18432 440.0 0.425 0.362 0.363 0.000 0.000 0.000 3/18432 450.0 0.417 0.356 0.355 0.000 0.000 0.000 3/18432 460.0 0.409 0.350 0.349 0.000 0.000 0.000 3/18432 470.0 0.402 0.344 0.342 0.000 0.000 0.000 3/18432 480.0 0.395 0.339 0.336 0.000 0.000 0.000 3/18432 490.0 0.388 0.334 0.330 0.000 0.000 0.000 3/18432 500.0 0.381 0.329 0.324 0.000 0.000 0.000 3/18432 510.0 0.375 0.324 0.318 0.000 0.000 0.000 3/18432 520.0 0.368 0.319 0.312 0.000 0.000 0.000 3/18432 530.0 0.362 0.315 0.307 0.000 0.000 0.000 3/18432 540.0 0.357 0.310 0.302 0.000 0.000 0.000 3/18432 550.0 0.351 0.306 0.297 0.000 0.000 0.000 3/18432 560.0 0.346 0.302 0.292 0.000 0.000 0.000 3/18432 570.0 0.340 0.297 0.288 0.000 0.000 0.000 3/18432 580.0 0.335 0.293 0.283 0.000 0.000 0.000 3/18432 590.0 0.330 0.290 0.279 0.000 0.000 0.000 3/18432 600.0 0.325 0.286 0.275 0.000 0.000 0.000 3/18432 610.0 0.321 0.282 0.271 0.000 0.000 0.000 3/18432 620.0 0.316 0.278 0.267 0.000 0.000 0.000 3/18432 630.0 0.312 0.275 0.263 0.000 0.000 0.000 3/18432 640.0 0.307 0.271 0.259 0.000 0.000 0.000 3/18432 650.0 0.303 0.268 0.255 0.000 0.000 0.000 3/18432 660.0 0.299 0.265 0.252 0.000 0.000 0.000 3/18432 670.0 0.295 0.262 0.248 0.000 0.000 0.000 3/18432 680.0 0.291 0.259 0.245 0.000 0.000 0.000 3/18432 690.0 0.288 0.255 0.242 0.000 0.000 0.000 3/18432 700.0 0.284 0.252 0.239 0.000 0.000 0.000 3/18432 710.0 0.280 0.250 0.236 0.000 0.000 0.000 3/18432 720.0 0.277 0.247 0.233 0.000 0.000 0.000 3/18432 730.0 0.273 0.244 0.230 0.000 0.000 0.000 3/18432 740.0 0.270 0.241 0.227 0.000 0.000 0.000 3/18432 750.0 0.267 0.238 0.224 0.000 0.000 0.000 3/18432 760.0 0.264 0.236 0.221 0.000 0.000 0.000 3/18432 770.0 0.261 0.233 0.219 0.000 0.000 0.000 3/18432 780.0 0.258 0.231 0.216 0.000 0.000 0.000 3/18432 790.0 0.255 0.228 0.213 0.000 0.000 0.000 3/18432 800.0 0.252 0.226 0.211 0.000 0.000 0.000 3/18432 810.0 0.249 0.223 0.208 0.000 0.000 0.000 3/18432 820.0 0.246 0.221 0.206 0.000 0.000 0.000 3/18432 830.0 0.243 0.219 0.204 0.000 0.000 0.000 3/18432 840.0 0.241 0.217 0.202 0.000 0.000 0.000 3/18432 850.0 0.238 0.214 0.199 0.000 0.000 0.000 3/18432 860.0 0.236 0.212 0.197 0.000 0.000 0.000 3/18432 870.0 0.233 0.210 0.195 0.000 0.000 0.000 3/18432 880.0 0.231 0.208 0.193 0.000 0.000 0.000 3/18432 890.0 0.228 0.206 0.191 0.000 0.000 0.000 3/18432 900.0 0.226 0.204 0.189 0.000 0.000 0.000 3/18432 910.0 0.224 0.202 0.187 0.000 0.000 0.000 3/18432 920.0 0.221 0.200 0.185 0.000 0.000 0.000 3/18432 930.0 0.219 0.198 0.183 0.000 0.000 0.000 3/18432 940.0 0.217 0.196 0.181 0.000 0.000 0.000 3/18432 950.0 0.215 0.195 0.179 0.000 0.000 0.000 3/18432 960.0 0.213 0.193 0.178 0.000 0.000 0.000 3/18432 970.0 0.211 0.191 0.176 0.000 0.000 0.000 3/18432 980.0 0.209 0.189 0.174 0.000 0.000 0.000 3/18432 990.0 0.207 0.188 0.173 0.000 0.000 0.000 3/18432 1000.0 0.205 0.186 0.171 0.000 0.000 0.000 3/18432Thermal conductivity related properties were written into "kappa-m468.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 13:51:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|