----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:29:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.584597970134773 0.000000000000000 0.000000000000000 b 0.000000000000000 11.041871340000000 0.000000000000000 c -5.767248023528418 0.000000000000000 10.307454528997980 Atomic positions (fractional): *1 K 0.62364556332357 0.26661097315321 0.29545621762298 39.098 *2 K 0.08678967566839 0.23235737959311 0.12118960656708 39.098 3 K 0.37635443667643 0.76661097315321 0.20454378237702 39.098 4 K 0.91321032433161 0.76764262040689 0.87881039343292 39.098 5 K 0.91321032433161 0.73235737959311 0.37881039343292 39.098 6 K 0.08678967566839 0.26764262040689 0.62118960656708 39.098 7 K 0.37635443667643 0.73338902684679 0.70454378237702 39.098 8 K 0.62364556332357 0.23338902684679 0.79545621762298 39.098 *9 Ge 0.33375265560559 0.99904243735658 0.91727811682562 72.640 *10 Ge 0.33469570217005 0.49537038302533 0.94271599894247 72.640 11 Ge 0.66530429782995 0.99537038302533 0.55728400105753 72.640 12 Ge 0.33375265560559 0.50095756264342 0.41727811682562 72.640 13 Ge 0.66624734439441 0.49904243735658 0.58272188317438 72.640 14 Ge 0.33469570217005 0.00462961697467 0.44271599894247 72.640 15 Ge 0.66530429782995 0.50462961697467 0.05728400105753 72.640 16 Ge 0.66624734439441 0.00095756264342 0.08272188317438 72.640 *17 Au 0.01371128738047 0.91004546835454 0.64397741317924 196.967 *18 Au 0.98416361718622 0.08283136419089 0.81960127154009 196.967 19 Au 0.01583638281378 0.58283136419089 0.68039872845991 196.967 20 Au 0.98628871261953 0.08995453164546 0.35602258682076 196.967 21 Au 0.01371128738047 0.58995453164546 0.14397741317924 196.967 22 Au 0.01583638281378 0.91716863580911 0.18039872845991 196.967 23 Au 0.98628871261953 0.41004546835454 0.85602258682076 196.967 24 Au 0.98416361718622 0.41716863580911 0.31960127154009 196.967 *25 S 0.18084692763946 0.99873586275356 0.99651646597642 32.065 26 S 0.81915307236054 0.49873586275356 0.50348353402358 32.065 *27 S 0.49961654674621 0.15095443452581 0.99160516482547 32.065 *28 S 0.20714833757468 0.66414320132114 0.86294326390437 32.065 *29 S 0.76641491826985 0.00343182040634 0.29685687103685 32.065 *30 S 0.48134916584914 0.47252769953258 0.85320197070494 32.065 31 S 0.49961654674621 0.34904556547419 0.49160516482547 32.065 32 S 0.51865083415086 0.97252769953258 0.64679802929506 32.065 33 S 0.79285166242532 0.33585679867886 0.13705673609563 32.065 *34 S 0.78880811213951 0.82773025030986 0.57624847214772 32.065 35 S 0.79285166242532 0.16414320132114 0.63705673609563 32.065 36 S 0.18084692763946 0.50126413724644 0.49651646597642 32.065 37 S 0.50038345325378 0.65095443452581 0.50839483517453 32.065 38 S 0.23358508173015 0.99656817959366 0.70314312896315 32.065 39 S 0.51865083415086 0.52747230046742 0.14679802929506 32.065 40 S 0.23358508173015 0.50343182040634 0.20314312896315 32.065 41 S 0.20714833757468 0.83585679867886 0.36294326390437 32.065 42 S 0.48134916584914 0.02747230046742 0.35320197070494 32.065 43 S 0.50038345325378 0.84904556547419 0.00839483517453 32.065 44 S 0.78880811213951 0.67226974969014 0.07624847214772 32.065 45 S 0.76641491826985 0.49656817959366 0.79685687103685 32.065 46 S 0.81915307236054 0.00126413724644 0.00348353402358 32.065 47 S 0.21119188786049 0.32773025030986 0.92375152785228 32.065 48 S 0.21119188786049 0.17226974969014 0.42375152785228 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.584597970134773 0.000000000000000 0.000000000000000 b 0.000000000000000 11.041871340000000 0.000000000000000 c -5.767248023528418 0.000000000000000 10.307454528997980 Atomic positions (fractional): *1 K 0.62364556332357 0.26661097315321 0.29545621762298 39.098 > 1 *2 K 0.08678967566839 0.23235737959311 0.12118960656708 39.098 > 2 3 K 0.37635443667643 0.76661097315321 0.20454378237702 39.098 > 3 4 K 0.91321032433161 0.76764262040689 0.87881039343292 39.098 > 4 5 K 0.91321032433161 0.73235737959311 0.37881039343292 39.098 > 5 6 K 0.08678967566839 0.26764262040689 0.62118960656708 39.098 > 6 7 K 0.37635443667643 0.73338902684679 0.70454378237702 39.098 > 7 8 K 0.62364556332357 0.23338902684679 0.79545621762298 39.098 > 8 *9 Ge 0.33375265560559 0.99904243735658 0.91727811682562 72.640 > 9 *10 Ge 0.33469570217005 0.49537038302533 0.94271599894247 72.640 > 10 11 Ge 0.66530429782995 0.99537038302533 0.55728400105753 72.640 > 11 12 Ge 0.33375265560559 0.50095756264342 0.41727811682562 72.640 > 12 13 Ge 0.66624734439441 0.49904243735658 0.58272188317438 72.640 > 13 14 Ge 0.33469570217005 0.00462961697467 0.44271599894247 72.640 > 14 15 Ge 0.66530429782995 0.50462961697467 0.05728400105753 72.640 > 15 16 Ge 0.66624734439441 0.00095756264342 0.08272188317438 72.640 > 16 *17 Au 0.01371128738047 0.91004546835454 0.64397741317924 196.967 > 17 *18 Au 0.98416361718622 0.08283136419089 0.81960127154009 196.967 > 18 19 Au 0.01583638281378 0.58283136419089 0.68039872845991 196.967 > 19 20 Au 0.98628871261953 0.08995453164546 0.35602258682076 196.967 > 20 21 Au 0.01371128738047 0.58995453164546 0.14397741317924 196.967 > 21 22 Au 0.01583638281378 0.91716863580911 0.18039872845991 196.967 > 22 23 Au 0.98628871261953 0.41004546835454 0.85602258682076 196.967 > 23 24 Au 0.98416361718622 0.41716863580911 0.31960127154009 196.967 > 24 *25 S 0.18084692763946 0.99873586275356 0.99651646597642 32.065 > 25 26 S 0.81915307236054 0.49873586275356 0.50348353402358 32.065 > 26 *27 S 0.49961654674621 0.15095443452581 0.99160516482547 32.065 > 27 *28 S 0.20714833757468 0.66414320132114 0.86294326390437 32.065 > 28 *29 S 0.76641491826985 0.00343182040634 0.29685687103685 32.065 > 29 *30 S 0.48134916584914 0.47252769953258 0.85320197070494 32.065 > 30 31 S 0.49961654674621 0.34904556547419 0.49160516482547 32.065 > 31 32 S 0.51865083415086 0.97252769953258 0.64679802929506 32.065 > 32 33 S 0.79285166242532 0.33585679867886 0.13705673609563 32.065 > 33 *34 S 0.78880811213951 0.82773025030986 0.57624847214772 32.065 > 34 35 S 0.79285166242532 0.16414320132114 0.63705673609563 32.065 > 35 36 S 0.18084692763946 0.50126413724644 0.49651646597642 32.065 > 36 37 S 0.50038345325378 0.65095443452581 0.50839483517453 32.065 > 37 38 S 0.23358508173015 0.99656817959366 0.70314312896315 32.065 > 38 39 S 0.51865083415086 0.52747230046742 0.14679802929506 32.065 > 39 40 S 0.23358508173015 0.50343182040634 0.20314312896315 32.065 > 40 41 S 0.20714833757468 0.83585679867886 0.36294326390437 32.065 > 41 42 S 0.48134916584914 0.02747230046742 0.35320197070494 32.065 > 42 43 S 0.50038345325378 0.84904556547419 0.00839483517453 32.065 > 43 44 S 0.78880811213951 0.67226974969014 0.07624847214772 32.065 > 44 45 S 0.76641491826985 0.49656817959366 0.79685687103685 32.065 > 45 46 S 0.81915307236054 0.00126413724644 0.00348353402358 32.065 > 46 47 S 0.21119188786049 0.32773025030986 0.92375152785228 32.065 > 47 48 S 0.21119188786049 0.17226974969014 0.42375152785228 32.065 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 21.169195940269546 0.000000000000000 0.000000000000000 b 0.000000000000000 11.041871340000000 0.000000000000000 c -5.767248023528418 0.000000000000000 10.307454528997980 Atomic positions (fractional): *1 K 0.31182278166179 0.26661097315321 0.29545621762298 39.098 > 1 2 K 0.81182278166179 0.26661097315321 0.29545621762298 39.098 > 1 *3 K 0.04339483783420 0.23235737959311 0.12118960656708 39.098 > 2 4 K 0.54339483783420 0.23235737959311 0.12118960656708 39.098 > 2 5 K 0.18817721833821 0.76661097315321 0.20454378237702 39.098 > 3 6 K 0.68817721833821 0.76661097315321 0.20454378237702 39.098 > 3 7 K 0.45660516216580 0.76764262040689 0.87881039343292 39.098 > 4 8 K 0.95660516216580 0.76764262040689 0.87881039343292 39.098 > 4 9 K 0.45660516216580 0.73235737959311 0.37881039343292 39.098 > 5 10 K 0.95660516216580 0.73235737959311 0.37881039343292 39.098 > 5 11 K 0.04339483783420 0.26764262040689 0.62118960656708 39.098 > 6 12 K 0.54339483783420 0.26764262040689 0.62118960656708 39.098 > 6 13 K 0.18817721833821 0.73338902684679 0.70454378237702 39.098 > 7 14 K 0.68817721833821 0.73338902684679 0.70454378237702 39.098 > 7 15 K 0.31182278166179 0.23338902684679 0.79545621762298 39.098 > 8 16 K 0.81182278166179 0.23338902684679 0.79545621762298 39.098 > 8 *17 Ge 0.16687632780280 0.99904243735658 0.91727811682562 72.640 > 9 18 Ge 0.66687632780280 0.99904243735658 0.91727811682562 72.640 > 9 *19 Ge 0.16734785108503 0.49537038302533 0.94271599894247 72.640 > 10 20 Ge 0.66734785108503 0.49537038302533 0.94271599894247 72.640 > 10 21 Ge 0.33265214891497 0.99537038302533 0.55728400105753 72.640 > 11 22 Ge 0.83265214891497 0.99537038302533 0.55728400105753 72.640 > 11 23 Ge 0.16687632780280 0.50095756264342 0.41727811682562 72.640 > 12 24 Ge 0.66687632780280 0.50095756264342 0.41727811682562 72.640 > 12 25 Ge 0.33312367219720 0.49904243735658 0.58272188317438 72.640 > 13 26 Ge 0.83312367219720 0.49904243735658 0.58272188317438 72.640 > 13 27 Ge 0.16734785108503 0.00462961697467 0.44271599894247 72.640 > 14 28 Ge 0.66734785108503 0.00462961697467 0.44271599894247 72.640 > 14 29 Ge 0.33265214891497 0.50462961697467 0.05728400105753 72.640 > 15 30 Ge 0.83265214891497 0.50462961697467 0.05728400105753 72.640 > 15 31 Ge 0.33312367219720 0.00095756264342 0.08272188317438 72.640 > 16 32 Ge 0.83312367219720 0.00095756264342 0.08272188317438 72.640 > 16 *33 Au 0.00685564369024 0.91004546835454 0.64397741317924 196.967 > 17 34 Au 0.50685564369024 0.91004546835454 0.64397741317924 196.967 > 17 *35 Au 0.49208180859311 0.08283136419089 0.81960127154009 196.967 > 18 36 Au 0.99208180859311 0.08283136419089 0.81960127154009 196.967 > 18 37 Au 0.00791819140689 0.58283136419089 0.68039872845991 196.967 > 19 38 Au 0.50791819140689 0.58283136419089 0.68039872845991 196.967 > 19 39 Au 0.49314435630976 0.08995453164546 0.35602258682076 196.967 > 20 40 Au 0.99314435630976 0.08995453164546 0.35602258682076 196.967 > 20 41 Au 0.00685564369024 0.58995453164546 0.14397741317924 196.967 > 21 42 Au 0.50685564369024 0.58995453164546 0.14397741317924 196.967 > 21 43 Au 0.00791819140689 0.91716863580911 0.18039872845991 196.967 > 22 44 Au 0.50791819140689 0.91716863580911 0.18039872845991 196.967 > 22 45 Au 0.49314435630976 0.41004546835454 0.85602258682076 196.967 > 23 46 Au 0.99314435630976 0.41004546835454 0.85602258682076 196.967 > 23 47 Au 0.49208180859311 0.41716863580911 0.31960127154009 196.967 > 24 48 Au 0.99208180859311 0.41716863580911 0.31960127154009 196.967 > 24 *49 S 0.09042346381973 0.99873586275356 0.99651646597642 32.065 > 25 50 S 0.59042346381973 0.99873586275356 0.99651646597642 32.065 > 25 51 S 0.40957653618027 0.49873586275356 0.50348353402358 32.065 > 26 52 S 0.90957653618027 0.49873586275356 0.50348353402358 32.065 > 26 *53 S 0.24980827337311 0.15095443452581 0.99160516482547 32.065 > 27 54 S 0.74980827337311 0.15095443452581 0.99160516482547 32.065 > 27 *55 S 0.10357416878734 0.66414320132114 0.86294326390437 32.065 > 28 56 S 0.60357416878734 0.66414320132114 0.86294326390437 32.065 > 28 *57 S 0.38320745913493 0.00343182040634 0.29685687103685 32.065 > 29 58 S 0.88320745913493 0.00343182040634 0.29685687103685 32.065 > 29 *59 S 0.24067458292457 0.47252769953258 0.85320197070494 32.065 > 30 60 S 0.74067458292457 0.47252769953258 0.85320197070494 32.065 > 30 61 S 0.24980827337311 0.34904556547419 0.49160516482547 32.065 > 31 62 S 0.74980827337311 0.34904556547419 0.49160516482547 32.065 > 31 63 S 0.25932541707543 0.97252769953258 0.64679802929506 32.065 > 32 64 S 0.75932541707543 0.97252769953258 0.64679802929506 32.065 > 32 65 S 0.39642583121266 0.33585679867886 0.13705673609563 32.065 > 33 66 S 0.89642583121266 0.33585679867886 0.13705673609563 32.065 > 33 *67 S 0.39440405606975 0.82773025030986 0.57624847214772 32.065 > 34 68 S 0.89440405606975 0.82773025030986 0.57624847214772 32.065 > 34 69 S 0.39642583121266 0.16414320132114 0.63705673609563 32.065 > 35 70 S 0.89642583121266 0.16414320132114 0.63705673609563 32.065 > 35 71 S 0.09042346381973 0.50126413724644 0.49651646597642 32.065 > 36 72 S 0.59042346381973 0.50126413724644 0.49651646597642 32.065 > 36 73 S 0.25019172662689 0.65095443452581 0.50839483517453 32.065 > 37 74 S 0.75019172662689 0.65095443452581 0.50839483517453 32.065 > 37 75 S 0.11679254086507 0.99656817959366 0.70314312896315 32.065 > 38 76 S 0.61679254086507 0.99656817959366 0.70314312896315 32.065 > 38 77 S 0.25932541707543 0.52747230046742 0.14679802929506 32.065 > 39 78 S 0.75932541707543 0.52747230046742 0.14679802929506 32.065 > 39 79 S 0.11679254086507 0.50343182040634 0.20314312896315 32.065 > 40 80 S 0.61679254086507 0.50343182040634 0.20314312896315 32.065 > 40 81 S 0.10357416878734 0.83585679867886 0.36294326390437 32.065 > 41 82 S 0.60357416878734 0.83585679867886 0.36294326390437 32.065 > 41 83 S 0.24067458292457 0.02747230046742 0.35320197070494 32.065 > 42 84 S 0.74067458292457 0.02747230046742 0.35320197070494 32.065 > 42 85 S 0.25019172662689 0.84904556547419 0.00839483517453 32.065 > 43 86 S 0.75019172662689 0.84904556547419 0.00839483517453 32.065 > 43 87 S 0.39440405606975 0.67226974969014 0.07624847214772 32.065 > 44 88 S 0.89440405606975 0.67226974969014 0.07624847214772 32.065 > 44 89 S 0.38320745913493 0.49656817959366 0.79685687103685 32.065 > 45 90 S 0.88320745913493 0.49656817959366 0.79685687103685 32.065 > 45 91 S 0.40957653618027 0.00126413724644 0.00348353402358 32.065 > 46 92 S 0.90957653618027 0.00126413724644 0.00348353402358 32.065 > 46 93 S 0.10559594393025 0.32773025030986 0.92375152785228 32.065 > 47 94 S 0.60559594393025 0.32773025030986 0.92375152785228 32.065 > 47 95 S 0.10559594393025 0.17226974969014 0.42375152785228 32.065 > 48 96 S 0.60559594393025 0.17226974969014 0.42375152785228 32.065 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3760512 0.0000000 0.9010218 0.0000000 4.9911913 0.0000000 0.9010203 0.0000000 5.2486696 -------------------------- Born effective charges -------------------------- 1 K 1.2650558 -0.0258300 -0.1174596 -0.0322330 1.4110809 0.0074723 -0.2093786 -0.0297761 1.3550617 2 K 1.1619411 -0.0258353 -0.2850504 0.0641526 1.4991330 -0.0927262 -0.2451257 0.0556131 1.3602391 3 K 1.2650558 0.0258300 -0.1174596 0.0322330 1.4110809 -0.0074723 -0.2093786 0.0297761 1.3550617 4 K 1.1619411 -0.0258353 -0.2850504 0.0641526 1.4991330 -0.0927262 -0.2451257 0.0556131 1.3602391 5 K 1.1619411 0.0258353 -0.2850504 -0.0641526 1.4991330 0.0927262 -0.2451257 -0.0556131 1.3602391 6 K 1.1619411 0.0258353 -0.2850504 -0.0641526 1.4991330 0.0927262 -0.2451257 -0.0556131 1.3602391 7 K 1.2650558 -0.0258300 -0.1174596 -0.0322330 1.4110809 0.0074723 -0.2093786 -0.0297761 1.3550617 8 K 1.2650558 0.0258300 -0.1174596 0.0322330 1.4110809 -0.0074723 -0.2093786 0.0297761 1.3550617 9 Ge 3.6108836 -0.0811492 1.1650650 -0.2096002 1.8122133 0.2850156 1.0699844 0.1990617 2.7788765 10 Ge 3.9163927 0.1779984 0.7219533 0.0573575 2.0689854 -0.1478225 1.2583910 -0.2218318 2.1601478 11 Ge 3.9163927 -0.1779984 0.7219533 -0.0573575 2.0689854 0.1478225 1.2583910 0.2218318 2.1601478 12 Ge 3.6108836 0.0811492 1.1650650 0.2096002 1.8122133 -0.2850156 1.0699844 -0.1990617 2.7788765 13 Ge 3.6108836 0.0811492 1.1650650 0.2096002 1.8122133 -0.2850156 1.0699844 -0.1990617 2.7788765 14 Ge 3.9163927 -0.1779984 0.7219533 -0.0573575 2.0689854 0.1478225 1.2583910 0.2218318 2.1601478 15 Ge 3.9163927 0.1779984 0.7219533 0.0573575 2.0689854 -0.1478225 1.2583910 -0.2218318 2.1601478 16 Ge 3.6108836 -0.0811492 1.1650650 -0.2096002 1.8122133 0.2850156 1.0699844 0.1990617 2.7788765 17 Au 0.4786647 0.2985755 0.2338460 0.2319500 -0.1328128 0.1256277 0.2859566 0.0726673 -0.1501238 18 Au -0.0507024 -0.3152247 0.4195393 -0.2194551 -0.0567757 -0.2789191 0.2733130 -0.2815249 0.4072058 19 Au -0.0507024 0.3152247 0.4195393 0.2194551 -0.0567757 0.2789191 0.2733130 0.2815249 0.4072058 20 Au 0.4786647 0.2985755 0.2338460 0.2319500 -0.1328128 0.1256277 0.2859566 0.0726673 -0.1501238 21 Au 0.4786647 -0.2985755 0.2338460 -0.2319500 -0.1328128 -0.1256277 0.2859566 -0.0726673 -0.1501238 22 Au -0.0507024 -0.3152247 0.4195393 -0.2194551 -0.0567757 -0.2789191 0.2733130 -0.2815249 0.4072058 23 Au 0.4786647 -0.2985755 0.2338460 -0.2319500 -0.1328128 -0.1256277 0.2859566 -0.0726673 -0.1501238 24 Au -0.0507024 0.3152247 0.4195393 0.2194551 -0.0567757 0.2789191 0.2733130 0.2815249 0.4072058 25 S -1.8646746 0.2210173 0.0791113 0.1927763 -0.9525904 -0.0142834 -0.2142606 0.1342803 -1.2782793 26 S -1.8646746 -0.2210173 0.0791113 -0.1927763 -0.9525904 0.0142834 -0.2142606 -0.1342803 -1.2782793 27 S -1.9321227 -0.0441809 -0.8187046 -0.0410056 -1.2029553 0.0568402 -0.7921462 0.0485510 -1.4340180 28 S -1.3659735 0.2129707 -0.5413348 -0.0070770 -1.4471249 -0.1093948 -0.3603775 0.2065822 -1.1585583 29 S -1.4536270 -0.0770321 -0.3511114 0.1107727 -0.7673373 -0.2009414 0.1157172 -0.1311308 -1.6041477 30 S -2.1880285 0.0730493 -0.4561838 0.0239245 -0.9817397 -0.1290962 -0.8369963 -0.0654648 -1.5631923 31 S -1.9321227 0.0441809 -0.8187046 0.0410056 -1.2029553 -0.0568402 -0.7921462 -0.0485510 -1.4340180 32 S -2.1880285 -0.0730493 -0.4561838 -0.0239245 -0.9817397 0.1290962 -0.8369963 0.0654648 -1.5631923 33 S -1.3659735 0.2129707 -0.5413348 -0.0070770 -1.4471249 -0.1093948 -0.3603775 0.2065822 -1.1585583 34 S -1.5778093 0.4479382 -0.0496702 -0.0477760 -1.2500765 -0.1739597 -0.3450774 0.0408064 -0.8732114 35 S -1.3659735 -0.2129707 -0.5413348 0.0070770 -1.4471249 0.1093948 -0.3603775 -0.2065822 -1.1585583 36 S -1.8646746 -0.2210173 0.0791113 -0.1927763 -0.9525904 0.0142834 -0.2142606 -0.1342803 -1.2782793 37 S -1.9321227 0.0441809 -0.8187046 0.0410056 -1.2029553 -0.0568402 -0.7921462 -0.0485510 -1.4340180 38 S -1.4536270 -0.0770321 -0.3511114 0.1107727 -0.7673373 -0.2009414 0.1157172 -0.1311308 -1.6041477 39 S -2.1880285 0.0730493 -0.4561838 0.0239245 -0.9817397 -0.1290962 -0.8369963 -0.0654648 -1.5631923 40 S -1.4536270 0.0770321 -0.3511114 -0.1107727 -0.7673373 0.2009414 0.1157172 0.1311308 -1.6041477 41 S -1.3659735 -0.2129707 -0.5413348 0.0070770 -1.4471249 0.1093948 -0.3603775 -0.2065822 -1.1585583 42 S -2.1880285 -0.0730493 -0.4561838 -0.0239245 -0.9817397 0.1290962 -0.8369963 0.0654648 -1.5631923 43 S -1.9321227 -0.0441809 -0.8187046 -0.0410056 -1.2029553 0.0568402 -0.7921462 0.0485510 -1.4340180 44 S -1.5778093 -0.4479382 -0.0496702 0.0477760 -1.2500765 0.1739597 -0.3450774 -0.0408064 -0.8732114 45 S -1.4536270 0.0770321 -0.3511114 -0.1107727 -0.7673373 0.2009414 0.1157172 0.1311308 -1.6041477 46 S -1.8646746 0.2210173 0.0791113 0.1927763 -0.9525904 -0.0142834 -0.2142606 0.1342803 -1.2782793 47 S -1.5778093 -0.4479382 -0.0496702 0.0477760 -1.2500765 0.1739597 -0.3450774 -0.0408064 -0.8732114 48 S -1.5778093 0.4479382 -0.0496702 -0.0477760 -1.2500765 -0.1739597 -0.3450774 0.0408064 -0.8732114 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5328 Number of blocks in projector: 5328 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 137 eigenvectors found. (1) Complementary block size: 63 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 137 eigenvectors found. (1) Complementary block size: 63 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5328, 5221), data: False |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 39), data: (1152, 63) @ (63, 39) |-- (152, 137), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 227), data: True |-- (250, 227), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 39), data: (1152, 63) @ (63, 39) |-- (152, 137), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 227), data: True |-- (250, 227), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1440 - Time: 1.317 Solver_block: 200 / 1440 - Time: 1.084 Solver_block: 300 / 1440 - Time: 1.074 Solver_block: 400 / 1440 - Time: 1.068 Solver_block: 500 / 1440 - Time: 1.075 Solver_block: 600 / 1440 - Time: 1.085 Solver_block: 700 / 1440 - Time: 1.086 Solver_block: 800 / 1440 - Time: 1.083 Solver_block: 900 / 1440 - Time: 1.077 Solver_block: 1000 / 1440 - Time: 1.082 Solver_block: 1100 / 1440 - Time: 1.086 Solver_block: 1200 / 1440 - Time: 1.077 Solver_block: 1300 / 1440 - Time: 1.086 Solver_block: 1400 / 1440 - Time: 1.080 Solver_block: 1440 / 1440 - Time: 0.542 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.316 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5328 Number of blocks in projector: 5328 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 137 eigenvectors found. (1) Complementary block size: 63 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 137 eigenvectors found. (1) Complementary block size: 63 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5328, 5221), data: False |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 39), data: (1152, 63) @ (63, 39) |-- (152, 137), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 227), data: True |-- (250, 227), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 39), data: (1152, 63) @ (63, 39) |-- (152, 137), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 227), data: True |-- (250, 227), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 11:30:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:30:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.584597970134773 0.000000000000000 0.000000000000000 b 0.000000000000000 11.041871340000000 0.000000000000000 c -5.767248023528418 0.000000000000000 10.307454528997980 Atomic positions (fractional): 1 K 0.62364556332357 0.26661097315321 0.29545621762298 39.098 2 K 0.08678967566839 0.23235737959311 0.12118960656708 39.098 3 K 0.37635443667643 0.76661097315321 0.20454378237702 39.098 4 K 0.91321032433161 0.76764262040689 0.87881039343292 39.098 5 K 0.91321032433161 0.73235737959311 0.37881039343292 39.098 6 K 0.08678967566839 0.26764262040689 0.62118960656708 39.098 7 K 0.37635443667643 0.73338902684679 0.70454378237702 39.098 8 K 0.62364556332357 0.23338902684679 0.79545621762298 39.098 9 Ge 0.33375265560559 0.99904243735658 0.91727811682562 72.640 10 Ge 0.33469570217005 0.49537038302533 0.94271599894247 72.640 11 Ge 0.66530429782995 0.99537038302533 0.55728400105753 72.640 12 Ge 0.33375265560559 0.50095756264342 0.41727811682562 72.640 13 Ge 0.66624734439441 0.49904243735658 0.58272188317438 72.640 14 Ge 0.33469570217005 0.00462961697467 0.44271599894247 72.640 15 Ge 0.66530429782995 0.50462961697467 0.05728400105753 72.640 16 Ge 0.66624734439441 0.00095756264342 0.08272188317438 72.640 17 Au 0.01371128738047 0.91004546835454 0.64397741317924 196.967 18 Au 0.98416361718622 0.08283136419089 0.81960127154009 196.967 19 Au 0.01583638281378 0.58283136419089 0.68039872845991 196.967 20 Au 0.98628871261953 0.08995453164546 0.35602258682076 196.967 21 Au 0.01371128738047 0.58995453164546 0.14397741317924 196.967 22 Au 0.01583638281378 0.91716863580911 0.18039872845991 196.967 23 Au 0.98628871261953 0.41004546835454 0.85602258682076 196.967 24 Au 0.98416361718622 0.41716863580911 0.31960127154009 196.967 25 S 0.18084692763946 0.99873586275356 0.99651646597642 32.065 26 S 0.81915307236054 0.49873586275356 0.50348353402358 32.065 27 S 0.49961654674621 0.15095443452581 0.99160516482547 32.065 28 S 0.20714833757468 0.66414320132114 0.86294326390437 32.065 29 S 0.76641491826985 0.00343182040634 0.29685687103685 32.065 30 S 0.48134916584914 0.47252769953258 0.85320197070494 32.065 31 S 0.49961654674621 0.34904556547419 0.49160516482547 32.065 32 S 0.51865083415086 0.97252769953258 0.64679802929506 32.065 33 S 0.79285166242532 0.33585679867886 0.13705673609563 32.065 34 S 0.78880811213951 0.82773025030986 0.57624847214772 32.065 35 S 0.79285166242532 0.16414320132114 0.63705673609563 32.065 36 S 0.18084692763946 0.50126413724644 0.49651646597642 32.065 37 S 0.50038345325378 0.65095443452581 0.50839483517453 32.065 38 S 0.23358508173015 0.99656817959366 0.70314312896315 32.065 39 S 0.51865083415086 0.52747230046742 0.14679802929506 32.065 40 S 0.23358508173015 0.50343182040634 0.20314312896315 32.065 41 S 0.20714833757468 0.83585679867886 0.36294326390437 32.065 42 S 0.48134916584914 0.02747230046742 0.35320197070494 32.065 43 S 0.50038345325378 0.84904556547419 0.00839483517453 32.065 44 S 0.78880811213951 0.67226974969014 0.07624847214772 32.065 45 S 0.76641491826985 0.49656817959366 0.79685687103685 32.065 46 S 0.81915307236054 0.00126413724644 0.00348353402358 32.065 47 S 0.21119188786049 0.32773025030986 0.92375152785228 32.065 48 S 0.21119188786049 0.17226974969014 0.42375152785228 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.169195940269546 0.000000000000000 0.000000000000000 b 0.000000000000000 11.041871340000000 0.000000000000000 c -5.767248023528418 0.000000000000000 10.307454528997980 Atomic positions (fractional): 1 K 0.31182278166179 0.26661097315321 0.29545621762298 39.098 > 1 2 K 0.81182278166179 0.26661097315321 0.29545621762298 39.098 > 1 3 K 0.04339483783420 0.23235737959311 0.12118960656708 39.098 > 3 4 K 0.54339483783420 0.23235737959311 0.12118960656708 39.098 > 3 5 K 0.18817721833821 0.76661097315321 0.20454378237702 39.098 > 5 6 K 0.68817721833821 0.76661097315321 0.20454378237702 39.098 > 5 7 K 0.45660516216580 0.76764262040689 0.87881039343292 39.098 > 7 8 K 0.95660516216580 0.76764262040689 0.87881039343292 39.098 > 7 9 K 0.45660516216580 0.73235737959311 0.37881039343292 39.098 > 9 10 K 0.95660516216580 0.73235737959311 0.37881039343292 39.098 > 9 11 K 0.04339483783420 0.26764262040689 0.62118960656708 39.098 > 11 12 K 0.54339483783420 0.26764262040689 0.62118960656708 39.098 > 11 13 K 0.18817721833821 0.73338902684679 0.70454378237702 39.098 > 13 14 K 0.68817721833821 0.73338902684679 0.70454378237702 39.098 > 13 15 K 0.31182278166179 0.23338902684679 0.79545621762298 39.098 > 15 16 K 0.81182278166179 0.23338902684679 0.79545621762298 39.098 > 15 17 Ge 0.16687632780280 0.99904243735658 0.91727811682562 72.640 > 17 18 Ge 0.66687632780280 0.99904243735658 0.91727811682562 72.640 > 17 19 Ge 0.16734785108503 0.49537038302533 0.94271599894247 72.640 > 19 20 Ge 0.66734785108503 0.49537038302533 0.94271599894247 72.640 > 19 21 Ge 0.33265214891497 0.99537038302533 0.55728400105753 72.640 > 21 22 Ge 0.83265214891497 0.99537038302533 0.55728400105753 72.640 > 21 23 Ge 0.16687632780280 0.50095756264342 0.41727811682562 72.640 > 23 24 Ge 0.66687632780280 0.50095756264342 0.41727811682562 72.640 > 23 25 Ge 0.33312367219720 0.49904243735658 0.58272188317438 72.640 > 25 26 Ge 0.83312367219720 0.49904243735658 0.58272188317438 72.640 > 25 27 Ge 0.16734785108503 0.00462961697467 0.44271599894247 72.640 > 27 28 Ge 0.66734785108503 0.00462961697467 0.44271599894247 72.640 > 27 29 Ge 0.33265214891497 0.50462961697467 0.05728400105753 72.640 > 29 30 Ge 0.83265214891497 0.50462961697467 0.05728400105753 72.640 > 29 31 Ge 0.33312367219720 0.00095756264342 0.08272188317438 72.640 > 31 32 Ge 0.83312367219720 0.00095756264342 0.08272188317438 72.640 > 31 33 Au 0.00685564369024 0.91004546835454 0.64397741317924 196.967 > 33 34 Au 0.50685564369024 0.91004546835454 0.64397741317924 196.967 > 33 35 Au 0.49208180859311 0.08283136419089 0.81960127154009 196.967 > 35 36 Au 0.99208180859311 0.08283136419089 0.81960127154009 196.967 > 35 37 Au 0.00791819140689 0.58283136419089 0.68039872845991 196.967 > 37 38 Au 0.50791819140689 0.58283136419089 0.68039872845991 196.967 > 37 39 Au 0.49314435630976 0.08995453164546 0.35602258682076 196.967 > 39 40 Au 0.99314435630976 0.08995453164546 0.35602258682076 196.967 > 39 41 Au 0.00685564369024 0.58995453164546 0.14397741317924 196.967 > 41 42 Au 0.50685564369024 0.58995453164546 0.14397741317924 196.967 > 41 43 Au 0.00791819140689 0.91716863580911 0.18039872845991 196.967 > 43 44 Au 0.50791819140689 0.91716863580911 0.18039872845991 196.967 > 43 45 Au 0.49314435630976 0.41004546835454 0.85602258682076 196.967 > 45 46 Au 0.99314435630976 0.41004546835454 0.85602258682076 196.967 > 45 47 Au 0.49208180859311 0.41716863580911 0.31960127154009 196.967 > 47 48 Au 0.99208180859311 0.41716863580911 0.31960127154009 196.967 > 47 49 S 0.09042346381973 0.99873586275356 0.99651646597642 32.065 > 49 50 S 0.59042346381973 0.99873586275356 0.99651646597642 32.065 > 49 51 S 0.40957653618027 0.49873586275356 0.50348353402358 32.065 > 51 52 S 0.90957653618027 0.49873586275356 0.50348353402358 32.065 > 51 53 S 0.24980827337311 0.15095443452581 0.99160516482547 32.065 > 53 54 S 0.74980827337311 0.15095443452581 0.99160516482547 32.065 > 53 55 S 0.10357416878734 0.66414320132114 0.86294326390437 32.065 > 55 56 S 0.60357416878734 0.66414320132114 0.86294326390437 32.065 > 55 57 S 0.38320745913493 0.00343182040634 0.29685687103685 32.065 > 57 58 S 0.88320745913493 0.00343182040634 0.29685687103685 32.065 > 57 59 S 0.24067458292457 0.47252769953258 0.85320197070494 32.065 > 59 60 S 0.74067458292457 0.47252769953258 0.85320197070494 32.065 > 59 61 S 0.24980827337311 0.34904556547419 0.49160516482547 32.065 > 61 62 S 0.74980827337311 0.34904556547419 0.49160516482547 32.065 > 61 63 S 0.25932541707543 0.97252769953258 0.64679802929506 32.065 > 63 64 S 0.75932541707543 0.97252769953258 0.64679802929506 32.065 > 63 65 S 0.39642583121266 0.33585679867886 0.13705673609563 32.065 > 65 66 S 0.89642583121266 0.33585679867886 0.13705673609563 32.065 > 65 67 S 0.39440405606975 0.82773025030986 0.57624847214772 32.065 > 67 68 S 0.89440405606975 0.82773025030986 0.57624847214772 32.065 > 67 69 S 0.39642583121266 0.16414320132114 0.63705673609563 32.065 > 69 70 S 0.89642583121266 0.16414320132114 0.63705673609563 32.065 > 69 71 S 0.09042346381973 0.50126413724644 0.49651646597642 32.065 > 71 72 S 0.59042346381973 0.50126413724644 0.49651646597642 32.065 > 71 73 S 0.25019172662689 0.65095443452581 0.50839483517453 32.065 > 73 74 S 0.75019172662689 0.65095443452581 0.50839483517453 32.065 > 73 75 S 0.11679254086507 0.99656817959366 0.70314312896315 32.065 > 75 76 S 0.61679254086507 0.99656817959366 0.70314312896315 32.065 > 75 77 S 0.25932541707543 0.52747230046742 0.14679802929506 32.065 > 77 78 S 0.75932541707543 0.52747230046742 0.14679802929506 32.065 > 77 79 S 0.11679254086507 0.50343182040634 0.20314312896315 32.065 > 79 80 S 0.61679254086507 0.50343182040634 0.20314312896315 32.065 > 79 81 S 0.10357416878734 0.83585679867886 0.36294326390437 32.065 > 81 82 S 0.60357416878734 0.83585679867886 0.36294326390437 32.065 > 81 83 S 0.24067458292457 0.02747230046742 0.35320197070494 32.065 > 83 84 S 0.74067458292457 0.02747230046742 0.35320197070494 32.065 > 83 85 S 0.25019172662689 0.84904556547419 0.00839483517453 32.065 > 85 86 S 0.75019172662689 0.84904556547419 0.00839483517453 32.065 > 85 87 S 0.39440405606975 0.67226974969014 0.07624847214772 32.065 > 87 88 S 0.89440405606975 0.67226974969014 0.07624847214772 32.065 > 87 89 S 0.38320745913493 0.49656817959366 0.79685687103685 32.065 > 89 90 S 0.88320745913493 0.49656817959366 0.79685687103685 32.065 > 89 91 S 0.40957653618027 0.00126413724644 0.00348353402358 32.065 > 91 92 S 0.90957653618027 0.00126413724644 0.00348353402358 32.065 > 91 93 S 0.10559594393025 0.32773025030986 0.92375152785228 32.065 > 93 94 S 0.60559594393025 0.32773025030986 0.92375152785228 32.065 > 93 95 S 0.10559594393025 0.17226974969014 0.42375152785228 32.065 > 95 96 S 0.60559594393025 0.17226974969014 0.42375152785228 32.065 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3760512 0.0000000 0.9010218 0.0000000 4.9911913 0.0000000 0.9010203 0.0000000 5.2486696 -------------------------- Born effective charges -------------------------- 1 K 1.2650558 -0.0258300 -0.1174596 -0.0322330 1.4110809 0.0074723 -0.2093786 -0.0297761 1.3550617 2 K 1.1619411 -0.0258353 -0.2850504 0.0641526 1.4991330 -0.0927262 -0.2451257 0.0556131 1.3602391 3 K 1.2650558 0.0258300 -0.1174596 0.0322330 1.4110809 -0.0074723 -0.2093786 0.0297761 1.3550617 4 K 1.1619411 -0.0258353 -0.2850504 0.0641526 1.4991330 -0.0927262 -0.2451257 0.0556131 1.3602391 5 K 1.1619411 0.0258353 -0.2850504 -0.0641526 1.4991330 0.0927262 -0.2451257 -0.0556131 1.3602391 6 K 1.1619411 0.0258353 -0.2850504 -0.0641526 1.4991330 0.0927262 -0.2451257 -0.0556131 1.3602391 7 K 1.2650558 -0.0258300 -0.1174596 -0.0322330 1.4110809 0.0074723 -0.2093786 -0.0297761 1.3550617 8 K 1.2650558 0.0258300 -0.1174596 0.0322330 1.4110809 -0.0074723 -0.2093786 0.0297761 1.3550617 9 Ge 3.6108836 -0.0811492 1.1650650 -0.2096002 1.8122133 0.2850156 1.0699844 0.1990617 2.7788765 10 Ge 3.9163927 0.1779984 0.7219533 0.0573575 2.0689854 -0.1478225 1.2583910 -0.2218318 2.1601478 11 Ge 3.9163927 -0.1779984 0.7219533 -0.0573575 2.0689854 0.1478225 1.2583910 0.2218318 2.1601478 12 Ge 3.6108836 0.0811492 1.1650650 0.2096002 1.8122133 -0.2850156 1.0699844 -0.1990617 2.7788765 13 Ge 3.6108836 0.0811492 1.1650650 0.2096002 1.8122133 -0.2850156 1.0699844 -0.1990617 2.7788765 14 Ge 3.9163927 -0.1779984 0.7219533 -0.0573575 2.0689854 0.1478225 1.2583910 0.2218318 2.1601478 15 Ge 3.9163927 0.1779984 0.7219533 0.0573575 2.0689854 -0.1478225 1.2583910 -0.2218318 2.1601478 16 Ge 3.6108836 -0.0811492 1.1650650 -0.2096002 1.8122133 0.2850156 1.0699844 0.1990617 2.7788765 17 Au 0.4786647 0.2985755 0.2338460 0.2319500 -0.1328128 0.1256277 0.2859566 0.0726673 -0.1501238 18 Au -0.0507024 -0.3152247 0.4195393 -0.2194551 -0.0567757 -0.2789191 0.2733130 -0.2815249 0.4072058 19 Au -0.0507024 0.3152247 0.4195393 0.2194551 -0.0567757 0.2789191 0.2733130 0.2815249 0.4072058 20 Au 0.4786647 0.2985755 0.2338460 0.2319500 -0.1328128 0.1256277 0.2859566 0.0726673 -0.1501238 21 Au 0.4786647 -0.2985755 0.2338460 -0.2319500 -0.1328128 -0.1256277 0.2859566 -0.0726673 -0.1501238 22 Au -0.0507024 -0.3152247 0.4195393 -0.2194551 -0.0567757 -0.2789191 0.2733130 -0.2815249 0.4072058 23 Au 0.4786647 -0.2985755 0.2338460 -0.2319500 -0.1328128 -0.1256277 0.2859566 -0.0726673 -0.1501238 24 Au -0.0507024 0.3152247 0.4195393 0.2194551 -0.0567757 0.2789191 0.2733130 0.2815249 0.4072058 25 S -1.8646746 0.2210173 0.0791113 0.1927763 -0.9525904 -0.0142834 -0.2142606 0.1342803 -1.2782793 26 S -1.8646746 -0.2210173 0.0791113 -0.1927763 -0.9525904 0.0142834 -0.2142606 -0.1342803 -1.2782793 27 S -1.9321227 -0.0441809 -0.8187046 -0.0410056 -1.2029553 0.0568402 -0.7921462 0.0485510 -1.4340180 28 S -1.3659735 0.2129707 -0.5413348 -0.0070770 -1.4471249 -0.1093948 -0.3603775 0.2065822 -1.1585583 29 S -1.4536270 -0.0770321 -0.3511114 0.1107727 -0.7673373 -0.2009414 0.1157172 -0.1311308 -1.6041477 30 S -2.1880285 0.0730493 -0.4561838 0.0239245 -0.9817397 -0.1290962 -0.8369963 -0.0654648 -1.5631923 31 S -1.9321227 0.0441809 -0.8187046 0.0410056 -1.2029553 -0.0568402 -0.7921462 -0.0485510 -1.4340180 32 S -2.1880285 -0.0730493 -0.4561838 -0.0239245 -0.9817397 0.1290962 -0.8369963 0.0654648 -1.5631923 33 S -1.3659735 0.2129707 -0.5413348 -0.0070770 -1.4471249 -0.1093948 -0.3603775 0.2065822 -1.1585583 34 S -1.5778093 0.4479382 -0.0496702 -0.0477760 -1.2500765 -0.1739597 -0.3450774 0.0408064 -0.8732114 35 S -1.3659735 -0.2129707 -0.5413348 0.0070770 -1.4471249 0.1093948 -0.3603775 -0.2065822 -1.1585583 36 S -1.8646746 -0.2210173 0.0791113 -0.1927763 -0.9525904 0.0142834 -0.2142606 -0.1342803 -1.2782793 37 S -1.9321227 0.0441809 -0.8187046 0.0410056 -1.2029553 -0.0568402 -0.7921462 -0.0485510 -1.4340180 38 S -1.4536270 -0.0770321 -0.3511114 0.1107727 -0.7673373 -0.2009414 0.1157172 -0.1311308 -1.6041477 39 S -2.1880285 0.0730493 -0.4561838 0.0239245 -0.9817397 -0.1290962 -0.8369963 -0.0654648 -1.5631923 40 S -1.4536270 0.0770321 -0.3511114 -0.1107727 -0.7673373 0.2009414 0.1157172 0.1311308 -1.6041477 41 S -1.3659735 -0.2129707 -0.5413348 0.0070770 -1.4471249 0.1093948 -0.3603775 -0.2065822 -1.1585583 42 S -2.1880285 -0.0730493 -0.4561838 -0.0239245 -0.9817397 0.1290962 -0.8369963 0.0654648 -1.5631923 43 S -1.9321227 -0.0441809 -0.8187046 -0.0410056 -1.2029553 0.0568402 -0.7921462 0.0485510 -1.4340180 44 S -1.5778093 -0.4479382 -0.0496702 0.0477760 -1.2500765 0.1739597 -0.3450774 -0.0408064 -0.8732114 45 S -1.4536270 0.0770321 -0.3511114 -0.1107727 -0.7673373 0.2009414 0.1157172 0.1311308 -1.6041477 46 S -1.8646746 0.2210173 0.0791113 0.1927763 -0.9525904 -0.0142834 -0.2142606 0.1342803 -1.2782793 47 S -1.5778093 -0.4479382 -0.0496702 0.0477760 -1.2500765 0.1739597 -0.3450774 -0.0408064 -0.8732114 48 S -1.5778093 0.4479382 -0.0496702 -0.0477760 -1.2500765 -0.1739597 -0.3450774 0.0408064 -0.8732114 ---------------------------------------------------------------------------- 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 3, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 19, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 35, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 55, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 59, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 67, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:31:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:31:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.584597970134773 0.000000000000000 0.000000000000000 b 0.000000000000000 11.041871340000000 0.000000000000000 c -5.767248023528418 0.000000000000000 10.307454528997980 Atomic positions (fractional): 1 K 0.62364556332357 0.26661097315321 0.29545621762298 39.098 2 K 0.08678967566839 0.23235737959311 0.12118960656708 39.098 3 K 0.37635443667643 0.76661097315321 0.20454378237702 39.098 4 K 0.91321032433161 0.76764262040689 0.87881039343292 39.098 5 K 0.91321032433161 0.73235737959311 0.37881039343292 39.098 6 K 0.08678967566839 0.26764262040689 0.62118960656708 39.098 7 K 0.37635443667643 0.73338902684679 0.70454378237702 39.098 8 K 0.62364556332357 0.23338902684679 0.79545621762298 39.098 9 Ge 0.33375265560559 0.99904243735658 0.91727811682562 72.640 10 Ge 0.33469570217005 0.49537038302533 0.94271599894247 72.640 11 Ge 0.66530429782995 0.99537038302533 0.55728400105753 72.640 12 Ge 0.33375265560559 0.50095756264342 0.41727811682562 72.640 13 Ge 0.66624734439441 0.49904243735658 0.58272188317438 72.640 14 Ge 0.33469570217005 0.00462961697467 0.44271599894247 72.640 15 Ge 0.66530429782995 0.50462961697467 0.05728400105753 72.640 16 Ge 0.66624734439441 0.00095756264342 0.08272188317438 72.640 17 Au 0.01371128738047 0.91004546835454 0.64397741317924 196.967 18 Au 0.98416361718622 0.08283136419089 0.81960127154009 196.967 19 Au 0.01583638281378 0.58283136419089 0.68039872845991 196.967 20 Au 0.98628871261953 0.08995453164546 0.35602258682076 196.967 21 Au 0.01371128738047 0.58995453164546 0.14397741317924 196.967 22 Au 0.01583638281378 0.91716863580911 0.18039872845991 196.967 23 Au 0.98628871261953 0.41004546835454 0.85602258682076 196.967 24 Au 0.98416361718622 0.41716863580911 0.31960127154009 196.967 25 S 0.18084692763946 0.99873586275356 0.99651646597642 32.065 26 S 0.81915307236054 0.49873586275356 0.50348353402358 32.065 27 S 0.49961654674621 0.15095443452581 0.99160516482547 32.065 28 S 0.20714833757468 0.66414320132114 0.86294326390437 32.065 29 S 0.76641491826985 0.00343182040634 0.29685687103685 32.065 30 S 0.48134916584914 0.47252769953258 0.85320197070494 32.065 31 S 0.49961654674621 0.34904556547419 0.49160516482547 32.065 32 S 0.51865083415086 0.97252769953258 0.64679802929506 32.065 33 S 0.79285166242532 0.33585679867886 0.13705673609563 32.065 34 S 0.78880811213951 0.82773025030986 0.57624847214772 32.065 35 S 0.79285166242532 0.16414320132114 0.63705673609563 32.065 36 S 0.18084692763946 0.50126413724644 0.49651646597642 32.065 37 S 0.50038345325378 0.65095443452581 0.50839483517453 32.065 38 S 0.23358508173015 0.99656817959366 0.70314312896315 32.065 39 S 0.51865083415086 0.52747230046742 0.14679802929506 32.065 40 S 0.23358508173015 0.50343182040634 0.20314312896315 32.065 41 S 0.20714833757468 0.83585679867886 0.36294326390437 32.065 42 S 0.48134916584914 0.02747230046742 0.35320197070494 32.065 43 S 0.50038345325378 0.84904556547419 0.00839483517453 32.065 44 S 0.78880811213951 0.67226974969014 0.07624847214772 32.065 45 S 0.76641491826985 0.49656817959366 0.79685687103685 32.065 46 S 0.81915307236054 0.00126413724644 0.00348353402358 32.065 47 S 0.21119188786049 0.32773025030986 0.92375152785228 32.065 48 S 0.21119188786049 0.17226974969014 0.42375152785228 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.169195940269546 0.000000000000000 0.000000000000000 b 0.000000000000000 11.041871340000000 0.000000000000000 c -5.767248023528418 0.000000000000000 10.307454528997980 Atomic positions (fractional): 1 K 0.31182278166179 0.26661097315321 0.29545621762298 39.098 > 1 2 K 0.81182278166179 0.26661097315321 0.29545621762298 39.098 > 1 3 K 0.04339483783420 0.23235737959311 0.12118960656708 39.098 > 3 4 K 0.54339483783420 0.23235737959311 0.12118960656708 39.098 > 3 5 K 0.18817721833821 0.76661097315321 0.20454378237702 39.098 > 5 6 K 0.68817721833821 0.76661097315321 0.20454378237702 39.098 > 5 7 K 0.45660516216580 0.76764262040689 0.87881039343292 39.098 > 7 8 K 0.95660516216580 0.76764262040689 0.87881039343292 39.098 > 7 9 K 0.45660516216580 0.73235737959311 0.37881039343292 39.098 > 9 10 K 0.95660516216580 0.73235737959311 0.37881039343292 39.098 > 9 11 K 0.04339483783420 0.26764262040689 0.62118960656708 39.098 > 11 12 K 0.54339483783420 0.26764262040689 0.62118960656708 39.098 > 11 13 K 0.18817721833821 0.73338902684679 0.70454378237702 39.098 > 13 14 K 0.68817721833821 0.73338902684679 0.70454378237702 39.098 > 13 15 K 0.31182278166179 0.23338902684679 0.79545621762298 39.098 > 15 16 K 0.81182278166179 0.23338902684679 0.79545621762298 39.098 > 15 17 Ge 0.16687632780280 0.99904243735658 0.91727811682562 72.640 > 17 18 Ge 0.66687632780280 0.99904243735658 0.91727811682562 72.640 > 17 19 Ge 0.16734785108503 0.49537038302533 0.94271599894247 72.640 > 19 20 Ge 0.66734785108503 0.49537038302533 0.94271599894247 72.640 > 19 21 Ge 0.33265214891497 0.99537038302533 0.55728400105753 72.640 > 21 22 Ge 0.83265214891497 0.99537038302533 0.55728400105753 72.640 > 21 23 Ge 0.16687632780280 0.50095756264342 0.41727811682562 72.640 > 23 24 Ge 0.66687632780280 0.50095756264342 0.41727811682562 72.640 > 23 25 Ge 0.33312367219720 0.49904243735658 0.58272188317438 72.640 > 25 26 Ge 0.83312367219720 0.49904243735658 0.58272188317438 72.640 > 25 27 Ge 0.16734785108503 0.00462961697467 0.44271599894247 72.640 > 27 28 Ge 0.66734785108503 0.00462961697467 0.44271599894247 72.640 > 27 29 Ge 0.33265214891497 0.50462961697467 0.05728400105753 72.640 > 29 30 Ge 0.83265214891497 0.50462961697467 0.05728400105753 72.640 > 29 31 Ge 0.33312367219720 0.00095756264342 0.08272188317438 72.640 > 31 32 Ge 0.83312367219720 0.00095756264342 0.08272188317438 72.640 > 31 33 Au 0.00685564369024 0.91004546835454 0.64397741317924 196.967 > 33 34 Au 0.50685564369024 0.91004546835454 0.64397741317924 196.967 > 33 35 Au 0.49208180859311 0.08283136419089 0.81960127154009 196.967 > 35 36 Au 0.99208180859311 0.08283136419089 0.81960127154009 196.967 > 35 37 Au 0.00791819140689 0.58283136419089 0.68039872845991 196.967 > 37 38 Au 0.50791819140689 0.58283136419089 0.68039872845991 196.967 > 37 39 Au 0.49314435630976 0.08995453164546 0.35602258682076 196.967 > 39 40 Au 0.99314435630976 0.08995453164546 0.35602258682076 196.967 > 39 41 Au 0.00685564369024 0.58995453164546 0.14397741317924 196.967 > 41 42 Au 0.50685564369024 0.58995453164546 0.14397741317924 196.967 > 41 43 Au 0.00791819140689 0.91716863580911 0.18039872845991 196.967 > 43 44 Au 0.50791819140689 0.91716863580911 0.18039872845991 196.967 > 43 45 Au 0.49314435630976 0.41004546835454 0.85602258682076 196.967 > 45 46 Au 0.99314435630976 0.41004546835454 0.85602258682076 196.967 > 45 47 Au 0.49208180859311 0.41716863580911 0.31960127154009 196.967 > 47 48 Au 0.99208180859311 0.41716863580911 0.31960127154009 196.967 > 47 49 S 0.09042346381973 0.99873586275356 0.99651646597642 32.065 > 49 50 S 0.59042346381973 0.99873586275356 0.99651646597642 32.065 > 49 51 S 0.40957653618027 0.49873586275356 0.50348353402358 32.065 > 51 52 S 0.90957653618027 0.49873586275356 0.50348353402358 32.065 > 51 53 S 0.24980827337311 0.15095443452581 0.99160516482547 32.065 > 53 54 S 0.74980827337311 0.15095443452581 0.99160516482547 32.065 > 53 55 S 0.10357416878734 0.66414320132114 0.86294326390437 32.065 > 55 56 S 0.60357416878734 0.66414320132114 0.86294326390437 32.065 > 55 57 S 0.38320745913493 0.00343182040634 0.29685687103685 32.065 > 57 58 S 0.88320745913493 0.00343182040634 0.29685687103685 32.065 > 57 59 S 0.24067458292457 0.47252769953258 0.85320197070494 32.065 > 59 60 S 0.74067458292457 0.47252769953258 0.85320197070494 32.065 > 59 61 S 0.24980827337311 0.34904556547419 0.49160516482547 32.065 > 61 62 S 0.74980827337311 0.34904556547419 0.49160516482547 32.065 > 61 63 S 0.25932541707543 0.97252769953258 0.64679802929506 32.065 > 63 64 S 0.75932541707543 0.97252769953258 0.64679802929506 32.065 > 63 65 S 0.39642583121266 0.33585679867886 0.13705673609563 32.065 > 65 66 S 0.89642583121266 0.33585679867886 0.13705673609563 32.065 > 65 67 S 0.39440405606975 0.82773025030986 0.57624847214772 32.065 > 67 68 S 0.89440405606975 0.82773025030986 0.57624847214772 32.065 > 67 69 S 0.39642583121266 0.16414320132114 0.63705673609563 32.065 > 69 70 S 0.89642583121266 0.16414320132114 0.63705673609563 32.065 > 69 71 S 0.09042346381973 0.50126413724644 0.49651646597642 32.065 > 71 72 S 0.59042346381973 0.50126413724644 0.49651646597642 32.065 > 71 73 S 0.25019172662689 0.65095443452581 0.50839483517453 32.065 > 73 74 S 0.75019172662689 0.65095443452581 0.50839483517453 32.065 > 73 75 S 0.11679254086507 0.99656817959366 0.70314312896315 32.065 > 75 76 S 0.61679254086507 0.99656817959366 0.70314312896315 32.065 > 75 77 S 0.25932541707543 0.52747230046742 0.14679802929506 32.065 > 77 78 S 0.75932541707543 0.52747230046742 0.14679802929506 32.065 > 77 79 S 0.11679254086507 0.50343182040634 0.20314312896315 32.065 > 79 80 S 0.61679254086507 0.50343182040634 0.20314312896315 32.065 > 79 81 S 0.10357416878734 0.83585679867886 0.36294326390437 32.065 > 81 82 S 0.60357416878734 0.83585679867886 0.36294326390437 32.065 > 81 83 S 0.24067458292457 0.02747230046742 0.35320197070494 32.065 > 83 84 S 0.74067458292457 0.02747230046742 0.35320197070494 32.065 > 83 85 S 0.25019172662689 0.84904556547419 0.00839483517453 32.065 > 85 86 S 0.75019172662689 0.84904556547419 0.00839483517453 32.065 > 85 87 S 0.39440405606975 0.67226974969014 0.07624847214772 32.065 > 87 88 S 0.89440405606975 0.67226974969014 0.07624847214772 32.065 > 87 89 S 0.38320745913493 0.49656817959366 0.79685687103685 32.065 > 89 90 S 0.88320745913493 0.49656817959366 0.79685687103685 32.065 > 89 91 S 0.40957653618027 0.00126413724644 0.00348353402358 32.065 > 91 92 S 0.90957653618027 0.00126413724644 0.00348353402358 32.065 > 91 93 S 0.10559594393025 0.32773025030986 0.92375152785228 32.065 > 93 94 S 0.60559594393025 0.32773025030986 0.92375152785228 32.065 > 93 95 S 0.10559594393025 0.17226974969014 0.42375152785228 32.065 > 95 96 S 0.60559594393025 0.17226974969014 0.42375152785228 32.065 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.3760512 0.0000000 0.9010218 0.0000000 4.9911913 0.0000000 0.9010203 0.0000000 5.2486696 -------------------------- Born effective charges -------------------------- 1 K 1.2650558 -0.0258300 -0.1174596 -0.0322330 1.4110809 0.0074723 -0.2093786 -0.0297761 1.3550617 2 K 1.1619411 -0.0258353 -0.2850504 0.0641526 1.4991330 -0.0927262 -0.2451257 0.0556131 1.3602391 3 K 1.2650558 0.0258300 -0.1174596 0.0322330 1.4110809 -0.0074723 -0.2093786 0.0297761 1.3550617 4 K 1.1619411 -0.0258353 -0.2850504 0.0641526 1.4991330 -0.0927262 -0.2451257 0.0556131 1.3602391 5 K 1.1619411 0.0258353 -0.2850504 -0.0641526 1.4991330 0.0927262 -0.2451257 -0.0556131 1.3602391 6 K 1.1619411 0.0258353 -0.2850504 -0.0641526 1.4991330 0.0927262 -0.2451257 -0.0556131 1.3602391 7 K 1.2650558 -0.0258300 -0.1174596 -0.0322330 1.4110809 0.0074723 -0.2093786 -0.0297761 1.3550617 8 K 1.2650558 0.0258300 -0.1174596 0.0322330 1.4110809 -0.0074723 -0.2093786 0.0297761 1.3550617 9 Ge 3.6108836 -0.0811492 1.1650650 -0.2096002 1.8122133 0.2850156 1.0699844 0.1990617 2.7788765 10 Ge 3.9163927 0.1779984 0.7219533 0.0573575 2.0689854 -0.1478225 1.2583910 -0.2218318 2.1601478 11 Ge 3.9163927 -0.1779984 0.7219533 -0.0573575 2.0689854 0.1478225 1.2583910 0.2218318 2.1601478 12 Ge 3.6108836 0.0811492 1.1650650 0.2096002 1.8122133 -0.2850156 1.0699844 -0.1990617 2.7788765 13 Ge 3.6108836 0.0811492 1.1650650 0.2096002 1.8122133 -0.2850156 1.0699844 -0.1990617 2.7788765 14 Ge 3.9163927 -0.1779984 0.7219533 -0.0573575 2.0689854 0.1478225 1.2583910 0.2218318 2.1601478 15 Ge 3.9163927 0.1779984 0.7219533 0.0573575 2.0689854 -0.1478225 1.2583910 -0.2218318 2.1601478 16 Ge 3.6108836 -0.0811492 1.1650650 -0.2096002 1.8122133 0.2850156 1.0699844 0.1990617 2.7788765 17 Au 0.4786647 0.2985755 0.2338460 0.2319500 -0.1328128 0.1256277 0.2859566 0.0726673 -0.1501238 18 Au -0.0507024 -0.3152247 0.4195393 -0.2194551 -0.0567757 -0.2789191 0.2733130 -0.2815249 0.4072058 19 Au -0.0507024 0.3152247 0.4195393 0.2194551 -0.0567757 0.2789191 0.2733130 0.2815249 0.4072058 20 Au 0.4786647 0.2985755 0.2338460 0.2319500 -0.1328128 0.1256277 0.2859566 0.0726673 -0.1501238 21 Au 0.4786647 -0.2985755 0.2338460 -0.2319500 -0.1328128 -0.1256277 0.2859566 -0.0726673 -0.1501238 22 Au -0.0507024 -0.3152247 0.4195393 -0.2194551 -0.0567757 -0.2789191 0.2733130 -0.2815249 0.4072058 23 Au 0.4786647 -0.2985755 0.2338460 -0.2319500 -0.1328128 -0.1256277 0.2859566 -0.0726673 -0.1501238 24 Au -0.0507024 0.3152247 0.4195393 0.2194551 -0.0567757 0.2789191 0.2733130 0.2815249 0.4072058 25 S -1.8646746 0.2210173 0.0791113 0.1927763 -0.9525904 -0.0142834 -0.2142606 0.1342803 -1.2782793 26 S -1.8646746 -0.2210173 0.0791113 -0.1927763 -0.9525904 0.0142834 -0.2142606 -0.1342803 -1.2782793 27 S -1.9321227 -0.0441809 -0.8187046 -0.0410056 -1.2029553 0.0568402 -0.7921462 0.0485510 -1.4340180 28 S -1.3659735 0.2129707 -0.5413348 -0.0070770 -1.4471249 -0.1093948 -0.3603775 0.2065822 -1.1585583 29 S -1.4536270 -0.0770321 -0.3511114 0.1107727 -0.7673373 -0.2009414 0.1157172 -0.1311308 -1.6041477 30 S -2.1880285 0.0730493 -0.4561838 0.0239245 -0.9817397 -0.1290962 -0.8369963 -0.0654648 -1.5631923 31 S -1.9321227 0.0441809 -0.8187046 0.0410056 -1.2029553 -0.0568402 -0.7921462 -0.0485510 -1.4340180 32 S -2.1880285 -0.0730493 -0.4561838 -0.0239245 -0.9817397 0.1290962 -0.8369963 0.0654648 -1.5631923 33 S -1.3659735 0.2129707 -0.5413348 -0.0070770 -1.4471249 -0.1093948 -0.3603775 0.2065822 -1.1585583 34 S -1.5778093 0.4479382 -0.0496702 -0.0477760 -1.2500765 -0.1739597 -0.3450774 0.0408064 -0.8732114 35 S -1.3659735 -0.2129707 -0.5413348 0.0070770 -1.4471249 0.1093948 -0.3603775 -0.2065822 -1.1585583 36 S -1.8646746 -0.2210173 0.0791113 -0.1927763 -0.9525904 0.0142834 -0.2142606 -0.1342803 -1.2782793 37 S -1.9321227 0.0441809 -0.8187046 0.0410056 -1.2029553 -0.0568402 -0.7921462 -0.0485510 -1.4340180 38 S -1.4536270 -0.0770321 -0.3511114 0.1107727 -0.7673373 -0.2009414 0.1157172 -0.1311308 -1.6041477 39 S -2.1880285 0.0730493 -0.4561838 0.0239245 -0.9817397 -0.1290962 -0.8369963 -0.0654648 -1.5631923 40 S -1.4536270 0.0770321 -0.3511114 -0.1107727 -0.7673373 0.2009414 0.1157172 0.1311308 -1.6041477 41 S -1.3659735 -0.2129707 -0.5413348 0.0070770 -1.4471249 0.1093948 -0.3603775 -0.2065822 -1.1585583 42 S -2.1880285 -0.0730493 -0.4561838 -0.0239245 -0.9817397 0.1290962 -0.8369963 0.0654648 -1.5631923 43 S -1.9321227 -0.0441809 -0.8187046 -0.0410056 -1.2029553 0.0568402 -0.7921462 0.0485510 -1.4340180 44 S -1.5778093 -0.4479382 -0.0496702 0.0477760 -1.2500765 0.1739597 -0.3450774 -0.0408064 -0.8732114 45 S -1.4536270 0.0770321 -0.3511114 -0.1107727 -0.7673373 0.2009414 0.1157172 0.1311308 -1.6041477 46 S -1.8646746 0.2210173 0.0791113 0.1927763 -0.9525904 -0.0142834 -0.2142606 0.1342803 -1.2782793 47 S -1.5778093 -0.4479382 -0.0496702 0.0477760 -1.2500765 0.1739597 -0.3450774 -0.0408064 -0.8732114 48 S -1.5778093 0.4479382 -0.0496702 -0.0477760 -1.2500765 -0.1739597 -0.3450774 0.0408064 -0.8732114 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.39, Number of G-points: 299, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/39) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.724 ( 0.000 0.000 0.000) 0.000 0.813 ( 0.000 0.000 0.000) 0.000 0.870 ( 0.000 0.000 0.000) 0.000 0.940 ( 0.000 0.000 0.000) 0.000 0.962 ( 0.000 0.000 0.000) 0.000 1.013 ( 0.000 0.000 0.000) 0.000 1.030 ( 0.000 0.000 0.000) 0.000 1.087 ( 0.000 0.000 0.000) 0.000 1.143 ( 0.000 0.000 0.000) 0.000 1.225 ( 0.000 0.000 0.000) 0.000 1.245 ( 0.000 0.000 0.000) 0.000 1.251 ( 0.000 0.000 0.000) 0.000 1.282 ( 0.000 0.000 0.000) 0.000 1.380 ( 0.000 0.000 0.000) 0.000 1.515 ( 0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 1.651 ( 0.000 0.000 0.000) 0.000 1.753 ( 0.000 0.000 0.000) 0.000 1.772 ( 0.000 0.000 0.000) 0.000 1.783 ( 0.000 0.000 0.000) 0.000 1.877 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 1.979 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.064 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 2.141 ( 0.000 0.000 0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.215 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.468 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.570 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.745 ( 0.000 0.000 0.000) 0.000 2.793 ( 0.000 0.000 0.000) 0.000 2.932 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.520 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.785 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.267 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.584 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.016 ( 0.000 0.000 0.000) 0.000 5.026 ( 0.000 0.000 0.000) 0.000 5.088 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 6.042 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 9.119 ( 0.000 0.000 0.000) 0.000 9.122 ( 0.000 0.000 0.000) 0.000 9.231 ( 0.000 0.000 0.000) 0.000 9.264 ( 0.000 0.000 0.000) 0.000 9.274 ( 0.000 0.000 0.000) 0.000 9.280 ( 0.000 0.000 0.000) 0.000 9.324 ( 0.000 0.000 0.000) 0.000 9.387 ( 0.000 0.000 0.000) 0.000 9.691 ( 0.000 0.000 0.000) 0.000 9.715 ( 0.000 0.000 0.000) 0.000 9.720 ( 0.000 0.000 0.000) 0.000 9.775 ( 0.000 0.000 0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 9.875 ( 0.000 0.000 0.000) 0.000 10.012 ( 0.000 0.000 0.000) 0.000 10.036 ( 0.000 0.000 0.000) 0.000 10.074 ( 0.000 0.000 0.000) 0.000 10.078 ( 0.000 0.000 0.000) 0.000 10.094 ( 0.000 0.000 0.000) 0.000 10.121 ( 0.000 0.000 0.000) 0.000 10.173 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 10.342 ( 0.000 0.000 0.000) 0.000 10.355 ( 0.000 0.000 0.000) 0.000 10.378 ( 0.000 0.000 0.000) 0.000 10.402 ( 0.000 0.000 0.000) 0.000 10.416 ( 0.000 0.000 0.000) 0.000 10.471 ( 0.000 0.000 0.000) 0.000 10.516 ( 0.000 0.000 0.000) 0.000 10.522 ( 0.000 0.000 0.000) 0.000 10.555 ( 0.000 0.000 0.000) 0.000 10.721 ( 0.000 0.000 0.000) 0.000 11.254 ( 0.000 0.000 0.000) 0.000 11.293 ( 0.000 0.000 0.000) 0.000 11.366 ( 0.000 0.000 0.000) 0.000 11.413 ( 0.000 0.000 0.000) 0.000 11.505 ( 0.000 0.000 0.000) 0.000 11.540 ( 0.000 0.000 0.000) 0.000 11.586 ( 0.000 0.000 0.000) 0.000 11.626 ( 0.000 0.000 0.000) 0.000 11.675 ( 0.000 0.000 0.000) 0.000 11.715 ( 0.000 0.000 0.000) 0.000 11.738 ( 0.000 0.000 0.000) 0.000 11.832 ( 0.000 0.000 0.000) 0.000 11.845 ( 0.000 0.000 0.000) 0.000 11.930 ( 0.000 0.000 0.000) 0.000 11.946 ( 0.000 0.000 0.000) 0.000 11.990 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/39) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( 14.919 0.000 2.488) 15.125 0.328 ( 12.730 0.000 8.137) 15.108 0.761 ( 11.729 0.000 7.738) 14.052 0.776 ( 3.768 0.000 1.911) 4.225 0.864 ( 13.309 0.000 10.612) 17.022 0.912 ( -1.749 0.000 -3.358) 3.786 0.974 ( 4.730 0.000 0.337) 4.742 1.033 ( -1.830 0.000 -0.198) 1.840 1.033 ( 5.830 0.000 1.701) 6.073 1.104 ( 4.449 0.000 1.895) 4.836 1.115 ( 0.263 0.000 -0.517) 0.580 1.173 ( 1.711 0.000 0.328) 1.742 1.255 ( 4.198 0.000 5.361) 6.809 1.277 ( -3.714 0.000 0.287) 3.725 1.305 ( -0.975 0.000 -1.575) 1.852 1.356 ( 0.664 0.000 0.603) 0.897 1.414 ( 0.279 0.000 -0.171) 0.327 1.428 ( -15.846 0.000 -10.223) 18.857 1.512 ( -5.426 0.000 -2.851) 6.130 1.539 ( -4.163 0.000 -2.510) 4.861 1.586 ( -9.390 0.000 -3.980) 10.199 1.605 ( 0.440 0.000 -0.327) 0.548 1.689 ( -2.885 0.000 -2.631) 3.904 1.754 ( -3.322 0.000 -3.610) 4.906 1.799 ( -0.437 0.000 -2.389) 2.428 1.868 ( -2.698 0.000 -1.819) 3.254 1.875 ( -1.425 0.000 0.582) 1.539 1.967 ( 2.051 0.000 -0.569) 2.128 1.999 ( 0.514 0.000 6.194) 6.216 2.028 ( 2.356 0.000 1.877) 3.012 2.049 ( 0.635 0.000 1.550) 1.675 2.084 ( 1.930 0.000 0.903) 2.131 2.096 ( 0.674 0.000 0.031) 0.675 2.201 ( 0.983 0.000 -1.247) 1.588 2.201 ( -1.729 0.000 -1.102) 2.051 2.227 ( 1.576 0.000 -1.004) 1.868 2.310 ( 2.511 0.000 1.986) 3.202 2.315 ( 1.096 0.000 -0.497) 1.204 2.353 ( 0.337 0.000 0.875) 0.937 2.371 ( -2.076 0.000 -1.875) 2.797 2.467 ( 1.095 0.000 -1.425) 1.797 2.530 ( 4.288 0.000 2.451) 4.939 2.545 ( 5.785 0.000 5.211) 7.787 2.556 ( -2.083 0.000 2.872) 3.548 2.706 ( 1.417 0.000 1.954) 2.413 2.727 ( 4.301 0.000 -0.954) 4.405 2.754 ( 7.385 0.000 2.784) 7.892 2.768 ( -1.327 0.000 1.914) 2.329 2.816 ( 0.257 0.000 2.636) 2.649 2.944 ( -2.005 0.000 -2.673) 3.342 2.987 ( 0.955 0.000 -2.422) 2.603 3.013 ( 1.113 0.000 0.017) 1.113 3.093 ( 0.206 0.000 4.137) 4.142 3.097 ( -0.201 0.000 -0.154) 0.253 3.150 ( -3.134 0.000 -3.674) 4.829 3.183 ( -1.983 0.000 -1.896) 2.744 3.205 ( 1.234 0.000 1.394) 1.862 3.318 ( -0.386 0.000 0.731) 0.826 3.356 ( -4.544 0.000 3.625) 5.813 3.391 ( 3.051 0.000 -1.311) 3.321 3.412 ( -2.081 0.000 -2.060) 2.928 3.458 ( 3.815 0.000 1.429) 4.074 3.481 ( -3.081 0.000 0.929) 3.218 3.546 ( 2.891 0.000 0.253) 2.902 3.591 ( -4.500 0.000 -0.300) 4.510 3.658 ( -0.281 0.000 -3.217) 3.229 3.658 ( -5.990 0.000 -3.328) 6.852 3.765 ( -2.752 0.000 -0.844) 2.878 3.855 ( -0.782 0.000 -0.579) 0.973 3.870 ( 1.451 0.000 3.132) 3.452 4.127 ( 0.241 0.000 0.782) 0.819 4.158 ( -2.397 0.000 -0.109) 2.399 4.303 ( 1.708 0.000 3.160) 3.592 4.326 ( -2.231 0.000 -0.012) 2.231 4.495 ( -0.375 0.000 -4.526) 4.542 4.577 ( -0.174 0.000 1.611) 1.621 4.580 ( 0.435 0.000 -2.708) 2.742 4.674 ( 0.823 0.000 1.111) 1.383 4.702 ( -2.640 0.000 -0.954) 2.807 4.764 ( 1.997 0.000 2.197) 2.969 4.789 ( -0.664 0.000 0.614) 0.904 4.910 ( 1.449 0.000 -0.174) 1.459 4.967 ( -1.900 0.000 -0.415) 1.945 5.035 ( 0.221 0.000 -0.159) 0.272 5.051 ( 1.073 0.000 0.273) 1.107 5.109 ( 1.533 0.000 -0.301) 1.563 5.118 ( -0.252 0.000 0.207) 0.326 5.279 ( 0.763 0.000 0.437) 0.880 5.466 ( -0.128 0.000 -0.129) 0.181 5.510 ( 1.482 0.000 -0.598) 1.598 5.699 ( -0.128 0.000 -1.112) 1.120 5.835 ( 0.367 0.000 -0.436) 0.570 6.035 ( -0.583 0.000 -0.747) 0.947 6.072 ( 2.044 0.000 0.795) 2.193 6.155 ( -1.842 0.000 -0.279) 1.863 6.165 ( -1.278 0.000 0.108) 1.282 9.106 ( -1.154 0.000 -0.145) 1.163 9.116 ( -0.775 0.000 0.306) 0.833 9.243 ( 0.856 0.000 0.546) 1.015 9.273 ( -0.371 0.000 -0.239) 0.441 9.316 ( 2.579 0.000 1.227) 2.856 9.319 ( -0.346 0.000 -0.679) 0.762 9.362 ( -2.299 0.000 -0.968) 2.495 9.501 ( -1.859 0.000 0.026) 1.860 9.706 ( -0.295 0.000 -0.749) 0.805 9.707 ( 0.841 0.000 0.781) 1.148 9.748 ( 2.056 0.000 0.995) 2.285 9.754 ( -1.244 0.000 -1.574) 2.006 9.885 ( 1.439 0.000 1.657) 2.195 9.892 ( 0.160 0.000 0.914) 0.928 9.965 ( -2.095 0.000 -1.361) 2.498 9.972 ( -2.963 0.000 -1.843) 3.490 10.061 ( 0.654 0.000 0.574) 0.870 10.103 ( -1.111 0.000 -0.643) 1.284 10.110 ( 1.362 0.000 1.682) 2.164 10.144 ( -1.962 0.000 -1.057) 2.228 10.216 ( 3.324 0.000 3.123) 4.561 10.219 ( -2.067 0.000 -1.024) 2.307 10.274 ( 0.646 0.000 0.148) 0.663 10.354 ( -3.573 0.000 -1.829) 4.014 10.415 ( 2.758 0.000 0.952) 2.918 10.463 ( -1.117 0.000 -0.648) 1.291 10.478 ( -0.024 0.000 -2.525) 2.525 10.508 ( 1.607 0.000 0.632) 1.727 10.544 ( 1.054 0.000 0.840) 1.348 10.550 ( 3.199 0.000 -0.579) 3.251 10.645 ( -4.510 0.000 -3.035) 5.436 11.198 ( 6.370 0.000 -9.880) 11.756 11.292 ( -0.123 0.000 0.180) 0.218 11.371 ( 0.385 0.000 0.139) 0.409 11.378 ( -3.414 0.000 6.438) 7.287 11.433 ( -0.326 0.000 0.118) 0.346 11.527 ( -0.023 0.000 2.650) 2.650 11.535 ( -2.191 0.000 0.107) 2.194 11.566 ( 0.473 0.000 -0.058) 0.477 11.575 ( -3.982 0.000 0.775) 4.057 11.704 ( 1.058 0.000 1.739) 2.035 11.708 ( -1.240 0.000 -0.227) 1.261 11.782 ( -2.519 0.000 -0.958) 2.695 11.806 ( 2.475 0.000 4.267) 4.932 11.876 ( 1.270 0.000 -0.360) 1.320 11.927 ( 0.266 0.000 -1.280) 1.308 11.943 ( 0.114 0.000 -0.891) 0.898 11.989 ( -0.002 0.000 0.160) 0.160 ======================= Grid point 2 (3/39) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 13.731 0.000 4.650) 14.497 0.655 ( 12.384 0.000 7.843) 14.659 0.774 ( -0.965 0.000 -0.323) 1.017 0.841 ( -2.230 0.000 -4.255) 4.804 0.858 ( 1.479 0.000 1.049) 1.814 0.876 ( -13.711 0.000 -6.507) 15.177 0.914 ( -3.451 0.000 -0.954) 3.581 1.001 ( -8.701 0.000 -5.059) 10.065 1.010 ( -7.407 0.000 -4.375) 8.602 1.063 ( -0.736 0.000 -2.009) 2.140 1.140 ( 1.703 0.000 -1.612) 2.345 1.150 ( -0.124 0.000 0.804) 0.813 1.214 ( 1.833 0.000 -2.010) 2.720 1.225 ( -0.993 0.000 -0.670) 1.197 1.241 ( -4.761 0.000 -4.242) 6.377 1.282 ( 1.945 0.000 1.429) 2.413 1.400 ( -6.439 0.000 -0.043) 6.439 1.446 ( 0.640 0.000 1.229) 1.386 1.460 ( -0.636 0.000 -0.442) 0.775 1.569 ( -0.919 0.000 -2.447) 2.614 1.603 ( 9.256 0.000 6.239) 11.162 1.720 ( 9.292 0.000 7.536) 11.964 1.722 ( 12.334 0.000 7.750) 14.567 1.840 ( 3.411 0.000 4.076) 5.315 1.857 ( 1.857 0.000 0.454) 1.912 1.887 ( 6.614 0.000 3.479) 7.474 1.956 ( 1.365 0.000 1.810) 2.267 1.997 ( 4.639 0.000 2.497) 5.269 2.008 ( -0.083 0.000 1.184) 1.187 2.038 ( -1.039 0.000 -1.107) 1.519 2.095 ( -0.638 0.000 -2.660) 2.735 2.119 ( 0.074 0.000 4.643) 4.643 2.151 ( 2.001 0.000 -1.313) 2.394 2.191 ( 1.282 0.000 0.525) 1.385 2.210 ( -3.935 0.000 -2.584) 4.708 2.218 ( -9.072 0.000 -5.684) 10.705 2.246 ( 5.853 0.000 2.525) 6.375 2.307 ( -2.493 0.000 -0.139) 2.497 2.315 ( -0.385 0.000 -1.760) 1.801 2.381 ( 0.631 0.000 0.228) 0.671 2.420 ( 1.304 0.000 -0.081) 1.307 2.530 ( -2.205 0.000 2.142) 3.074 2.595 ( -4.482 0.000 -5.064) 6.762 2.600 ( -0.326 0.000 -1.399) 1.437 2.671 ( -2.674 0.000 -2.029) 3.356 2.713 ( -2.935 0.000 -1.493) 3.293 2.760 ( 1.970 0.000 0.807) 2.129 2.804 ( -0.242 0.000 3.583) 3.591 2.888 ( 0.306 0.000 -1.306) 1.341 2.896 ( -1.524 0.000 -0.367) 1.568 2.921 ( -4.907 0.000 -2.751) 5.625 3.007 ( -0.991 0.000 -1.051) 1.445 3.082 ( 2.123 0.000 -0.158) 2.129 3.095 ( 1.509 0.000 -1.985) 2.494 3.143 ( 0.736 0.000 1.422) 1.601 3.171 ( 2.635 0.000 -2.467) 3.609 3.239 ( -8.390 0.000 2.557) 8.771 3.250 ( 0.875 0.000 3.225) 3.342 3.324 ( -0.715 0.000 -3.851) 3.917 3.350 ( 0.328 0.000 1.664) 1.696 3.378 ( 0.139 0.000 -0.883) 0.894 3.437 ( -2.534 0.000 0.516) 2.586 3.446 ( -2.773 0.000 -0.185) 2.780 3.614 ( 1.003 0.000 0.684) 1.214 3.619 ( -0.277 0.000 -2.024) 2.043 3.631 ( 4.614 0.000 2.022) 5.037 3.646 ( 0.736 0.000 0.081) 0.741 3.793 ( 5.108 0.000 3.817) 6.377 3.837 ( -0.669 0.000 -0.393) 0.776 3.941 ( 1.459 0.000 2.242) 2.675 4.130 ( -0.348 0.000 -0.294) 0.456 4.157 ( 1.212 0.000 1.674) 2.067 4.224 ( -5.002 0.000 -1.021) 5.105 4.282 ( -3.432 0.000 -2.593) 4.301 4.507 ( 3.419 0.000 -1.062) 3.580 4.544 ( -2.838 0.000 1.298) 3.120 4.597 ( 1.578 0.000 -0.006) 1.578 4.666 ( -0.996 0.000 -0.561) 1.143 4.698 ( 0.797 0.000 0.405) 0.894 4.812 ( 1.319 0.000 2.415) 2.752 4.849 ( 2.500 0.000 1.819) 3.092 4.891 ( -1.514 0.000 -2.484) 2.909 4.962 ( 0.888 0.000 1.183) 1.480 5.019 ( -0.874 0.000 -0.755) 1.155 5.043 ( -0.897 0.000 -0.824) 1.217 5.108 ( -0.443 0.000 -0.182) 0.479 5.120 ( -0.113 0.000 -0.591) 0.602 5.276 ( -0.560 0.000 -0.386) 0.680 5.464 ( 0.007 0.000 -0.055) 0.056 5.531 ( 0.754 0.000 0.054) 0.756 5.693 ( 0.256 0.000 -0.275) 0.375 5.845 ( 0.649 0.000 0.019) 0.649 6.017 ( -0.385 0.000 -0.465) 0.604 6.088 ( -0.793 0.000 -0.265) 0.836 6.143 ( -0.813 0.000 0.041) 0.815 6.145 ( 0.751 0.000 0.515) 0.911 9.084 ( -0.603 0.000 -0.162) 0.624 9.107 ( -0.357 0.000 0.173) 0.397 9.266 ( 0.659 0.000 0.404) 0.773 9.266 ( -0.235 0.000 0.143) 0.275 9.286 ( -2.618 0.000 -1.591) 3.064 9.300 ( -0.555 0.000 -0.602) 0.818 9.365 ( 1.041 0.000 0.450) 1.134 9.471 ( -0.853 0.000 -0.243) 0.887 9.696 ( -0.051 0.000 -0.420) 0.423 9.716 ( -0.747 0.000 -0.956) 1.213 9.730 ( 0.670 0.000 0.329) 0.746 9.795 ( 1.174 0.000 0.594) 1.316 9.854 ( -1.550 0.000 -0.817) 1.752 9.874 ( -1.140 0.000 -0.565) 1.272 9.997 ( 3.495 0.000 2.629) 4.373 10.005 ( 2.918 0.000 2.008) 3.542 10.067 ( -1.842 0.000 -0.851) 2.029 10.084 ( 0.576 0.000 0.360) 0.679 10.088 ( -2.673 0.000 -1.302) 2.974 10.120 ( -3.017 0.000 -2.384) 3.845 10.149 ( 0.986 0.000 0.722) 1.222 10.238 ( -2.033 0.000 -1.200) 2.361 10.334 ( 1.979 0.000 1.823) 2.691 10.359 ( 4.172 0.000 2.625) 4.930 10.420 ( -1.944 0.000 -1.287) 2.332 10.453 ( -0.779 0.000 -0.933) 1.215 10.455 ( -0.031 0.000 -1.295) 1.295 10.472 ( -1.583 0.000 -1.762) 2.369 10.503 ( -2.262 0.000 -1.832) 2.911 10.564 ( 0.378 0.000 0.277) 0.468 10.686 ( 3.703 0.000 1.580) 4.026 11.212 ( 1.538 0.000 -1.872) 2.423 11.292 ( -0.047 0.000 0.149) 0.156 11.380 ( 0.292 0.000 0.076) 0.302 11.384 ( -0.228 0.000 1.050) 1.074 11.431 ( 0.126 0.000 -0.171) 0.212 11.489 ( -1.471 0.000 -0.361) 1.515 11.490 ( -2.774 0.000 0.815) 2.891 11.588 ( 0.452 0.000 0.833) 0.948 11.601 ( 2.789 0.000 1.138) 3.013 11.666 ( -2.357 0.000 -0.941) 2.538 11.720 ( -0.568 0.000 -0.023) 0.568 11.745 ( -0.235 0.000 -0.102) 0.256 11.882 ( 0.075 0.000 -0.323) 0.331 11.884 ( 1.217 0.000 3.395) 3.606 11.919 ( 0.034 0.000 -0.892) 0.893 11.929 ( -0.089 0.000 -1.604) 1.607 11.994 ( 0.161 0.000 0.208) 0.263 ======================= Grid point 5 (4/39) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( 0.000 13.411 0.000) 13.411 0.276 ( 0.000 14.942 0.000) 14.942 0.416 ( 0.000 20.837 0.000) 20.837 0.733 ( 0.000 1.109 0.000) 1.109 0.776 ( 0.000 -3.971 0.000) 3.971 0.842 ( 0.000 -3.206 0.000) 3.206 0.920 ( 0.000 -3.124 0.000) 3.124 0.934 ( 0.000 -2.481 0.000) 2.481 1.023 ( 0.000 0.771 0.000) 0.771 1.044 ( 0.000 1.022 0.000) 1.022 1.102 ( 0.000 -2.899 0.000) 2.899 1.109 ( 0.000 1.813 0.000) 1.813 1.189 ( 0.000 -2.361 0.000) 2.361 1.236 ( 0.000 -1.711 0.000) 1.711 1.280 ( 0.000 -0.156 0.000) 0.156 1.297 ( 0.000 3.201 0.000) 3.201 1.373 ( 0.000 -0.598 0.000) 0.598 1.444 ( 0.000 -5.108 0.000) 5.108 1.646 ( 0.000 3.643 0.000) 3.643 1.653 ( 0.000 0.144 0.000) 0.144 1.739 ( 0.000 -2.443 0.000) 2.443 1.768 ( 0.000 0.891 0.000) 0.891 1.776 ( 0.000 -0.772 0.000) 0.772 1.875 ( 0.000 -0.206 0.000) 0.206 1.889 ( 0.000 0.142 0.000) 0.142 1.894 ( 0.000 -2.658 0.000) 2.658 1.918 ( 0.000 -1.534 0.000) 1.534 1.961 ( 0.000 -0.064 0.000) 0.064 1.973 ( 0.000 0.066 0.000) 0.066 2.001 ( 0.000 -1.657 0.000) 1.657 2.042 ( 0.000 0.601 0.000) 0.601 2.076 ( 0.000 -0.997 0.000) 0.997 2.100 ( 0.000 1.710 0.000) 1.710 2.131 ( 0.000 -0.930 0.000) 0.930 2.149 ( 0.000 1.149 0.000) 1.149 2.168 ( 0.000 -1.425 0.000) 1.425 2.217 ( 0.000 1.450 0.000) 1.450 2.326 ( 0.000 -1.301 0.000) 1.301 2.331 ( 0.000 1.339 0.000) 1.339 2.388 ( 0.000 0.375 0.000) 0.375 2.449 ( 0.000 2.029 0.000) 2.029 2.467 ( 0.000 0.082 0.000) 0.082 2.539 ( 0.000 -0.300 0.000) 0.300 2.549 ( 0.000 4.068 0.000) 4.068 2.560 ( 0.000 0.238 0.000) 0.238 2.699 ( 0.000 1.408 0.000) 1.408 2.733 ( 0.000 2.238 0.000) 2.238 2.750 ( 0.000 1.950 0.000) 1.950 2.869 ( 0.000 -1.410 0.000) 1.410 2.945 ( 0.000 1.415 0.000) 1.415 2.994 ( 0.000 1.054 0.000) 1.054 3.029 ( 0.000 1.691 0.000) 1.691 3.075 ( 0.000 -4.676 0.000) 4.676 3.109 ( 0.000 -0.761 0.000) 0.761 3.117 ( 0.000 -1.715 0.000) 1.715 3.218 ( 0.000 1.575 0.000) 1.575 3.297 ( 0.000 -1.979 0.000) 1.979 3.304 ( 0.000 0.281 0.000) 0.281 3.331 ( 0.000 0.021 0.000) 0.021 3.368 ( 0.000 -0.415 0.000) 0.415 3.408 ( 0.000 -1.293 0.000) 1.293 3.448 ( 0.000 -5.292 0.000) 5.292 3.504 ( 0.000 3.641 0.000) 3.641 3.599 ( 0.000 2.401 0.000) 2.401 3.600 ( 0.000 -1.008 0.000) 1.008 3.714 ( 0.000 2.253 0.000) 2.253 3.761 ( 0.000 -2.942 0.000) 2.942 3.771 ( 0.000 -1.012 0.000) 1.012 3.857 ( 0.000 0.153 0.000) 0.153 3.858 ( 0.000 -0.415 0.000) 0.415 4.108 ( 0.000 -1.514 0.000) 1.514 4.160 ( 0.000 -3.047 0.000) 3.047 4.306 ( 0.000 1.369 0.000) 1.369 4.333 ( 0.000 1.653 0.000) 1.653 4.535 ( 0.000 0.797 0.000) 0.797 4.576 ( 0.000 -0.763 0.000) 0.763 4.580 ( 0.000 -1.066 0.000) 1.066 4.618 ( 0.000 -1.095 0.000) 1.095 4.714 ( 0.000 0.486 0.000) 0.486 4.795 ( 0.000 2.738 0.000) 2.738 4.883 ( 0.000 -2.855 0.000) 2.855 4.905 ( 0.000 2.983 0.000) 2.983 4.995 ( 0.000 -0.818 0.000) 0.818 5.027 ( 0.000 1.517 0.000) 1.517 5.047 ( 0.000 1.106 0.000) 1.106 5.081 ( 0.000 -0.725 0.000) 0.725 5.128 ( 0.000 1.257 0.000) 1.257 5.248 ( 0.000 -1.331 0.000) 1.331 5.496 ( 0.000 0.128 0.000) 0.128 5.498 ( 0.000 -0.073 0.000) 0.073 5.726 ( 0.000 2.016 0.000) 2.016 5.916 ( 0.000 -2.809 0.000) 2.809 6.053 ( 0.000 1.084 0.000) 1.084 6.059 ( 0.000 1.267 0.000) 1.267 6.171 ( 0.000 -0.730 0.000) 0.730 6.173 ( 0.000 -0.608 0.000) 0.608 9.119 ( 0.000 -0.014 0.000) 0.014 9.122 ( 0.000 -0.060 0.000) 0.060 9.236 ( 0.000 0.530 0.000) 0.530 9.263 ( 0.000 -0.081 0.000) 0.081 9.272 ( 0.000 -0.211 0.000) 0.211 9.278 ( 0.000 -0.243 0.000) 0.243 9.329 ( 0.000 0.512 0.000) 0.512 9.381 ( 0.000 -0.658 0.000) 0.658 9.695 ( 0.000 0.399 0.000) 0.399 9.718 ( 0.000 0.420 0.000) 0.420 9.730 ( 0.000 -0.536 0.000) 0.536 9.768 ( 0.000 -0.742 0.000) 0.742 9.858 ( 0.000 0.101 0.000) 0.101 9.872 ( 0.000 -0.273 0.000) 0.273 10.038 ( 0.000 0.190 0.000) 0.190 10.055 ( 0.000 -0.467 0.000) 0.467 10.079 ( 0.000 0.405 0.000) 0.405 10.081 ( 0.000 0.284 0.000) 0.284 10.099 ( 0.000 0.507 0.000) 0.507 10.121 ( 0.000 -0.046 0.000) 0.046 10.175 ( 0.000 0.256 0.000) 0.256 10.188 ( 0.000 0.041 0.000) 0.041 10.343 ( 0.000 0.067 0.000) 0.067 10.356 ( 0.000 -0.047 0.000) 0.047 10.391 ( 0.000 0.573 0.000) 0.573 10.401 ( 0.000 -0.112 0.000) 0.112 10.414 ( 0.000 -0.182 0.000) 0.182 10.464 ( 0.000 -0.784 0.000) 0.784 10.525 ( 0.000 0.315 0.000) 0.315 10.532 ( 0.000 1.713 0.000) 1.713 10.553 ( 0.000 -0.206 0.000) 0.206 10.703 ( 0.000 -2.461 0.000) 2.461 11.261 ( 0.000 0.721 0.000) 0.721 11.312 ( 0.000 -0.586 0.000) 0.586 11.417 ( 0.000 0.428 0.000) 0.428 11.451 ( 0.000 -0.414 0.000) 0.414 11.509 ( 0.000 0.464 0.000) 0.464 11.537 ( 0.000 -0.289 0.000) 0.289 11.628 ( 0.000 0.266 0.000) 0.266 11.663 ( 0.000 -0.779 0.000) 0.779 11.684 ( 0.000 0.896 0.000) 0.896 11.719 ( 0.000 0.264 0.000) 0.264 11.748 ( 0.000 1.081 0.000) 1.081 11.824 ( 0.000 -0.901 0.000) 0.901 11.931 ( 0.000 0.087 0.000) 0.087 11.942 ( 0.000 -0.353 0.000) 0.353 11.951 ( 0.000 0.009 0.000) 0.009 11.982 ( 0.000 -0.799 0.000) 0.799 ======================= Grid point 6 (5/39) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 11.338 9.584 2.201) 15.008 0.464 ( 8.405 10.862 5.838) 14.923 0.748 ( 4.823 -1.085 3.173) 5.874 0.783 ( 3.296 -0.269 0.712) 3.383 0.871 ( -0.237 -3.694 -2.307) 4.361 0.895 ( 16.877 3.960 12.685) 21.481 0.947 ( 3.992 -3.314 1.782) 5.486 0.991 ( 1.417 -2.198 0.043) 2.615 1.056 ( 3.732 1.778 1.077) 4.272 1.110 ( 2.392 1.076 0.359) 2.647 1.146 ( 2.306 1.479 0.749) 2.840 1.167 ( 0.893 -0.997 0.831) 1.576 1.218 ( 2.364 -3.156 2.423) 4.628 1.263 ( 4.009 -1.401 3.297) 5.376 1.299 ( -1.485 -0.737 -0.533) 1.742 1.357 ( 1.622 0.905 1.228) 2.227 1.406 ( 0.802 -0.495 0.927) 1.322 1.437 ( -13.800 0.381 -8.227) 16.071 1.457 ( -5.942 -2.616 -2.565) 6.980 1.559 ( -6.785 -0.756 -4.398) 8.121 1.579 ( -5.741 -0.018 -3.669) 6.813 1.612 ( -3.426 -0.162 -3.830) 5.142 1.705 ( -1.634 2.150 -0.970) 2.869 1.760 ( -2.705 0.558 -3.345) 4.338 1.799 ( -0.679 0.089 -2.789) 2.872 1.844 ( -2.889 -2.164 -1.775) 4.023 1.873 ( -1.948 -0.127 0.542) 2.026 1.949 ( 1.419 -1.174 0.856) 2.031 1.997 ( 3.042 -2.026 2.181) 4.256 2.021 ( 0.633 1.480 3.297) 3.669 2.054 ( 1.950 -0.120 1.502) 2.464 2.076 ( 1.192 -0.288 2.387) 2.684 2.102 ( 2.000 -0.522 -0.124) 2.070 2.199 ( -0.836 -0.149 -0.225) 0.878 2.212 ( 1.703 -0.570 0.114) 1.799 2.224 ( 1.162 1.228 -2.459) 2.984 2.263 ( -2.008 -0.095 0.698) 2.129 2.330 ( 4.752 -0.831 1.748) 5.131 2.349 ( 0.492 -1.612 -0.867) 1.895 2.370 ( -1.340 0.296 0.049) 1.373 2.511 ( -1.808 1.340 -1.768) 2.862 2.554 ( 2.629 3.351 3.199) 5.327 2.554 ( 0.575 0.843 2.529) 2.728 2.564 ( 4.990 2.396 2.872) 6.236 2.702 ( 2.997 -0.982 3.097) 4.420 2.736 ( 3.374 -0.721 0.483) 3.484 2.762 ( 1.152 -0.067 1.607) 1.979 2.767 ( 2.222 2.168 -0.645) 3.171 2.839 ( -0.630 2.771 2.891) 4.053 2.956 ( -3.322 1.055 -2.440) 4.255 2.990 ( 1.755 0.677 -0.142) 1.886 3.037 ( 1.217 -1.036 3.179) 3.558 3.046 ( -0.861 0.033 -1.464) 1.699 3.131 ( 0.598 -0.473 0.071) 0.765 3.151 ( 1.507 -0.399 1.300) 2.030 3.159 ( -3.173 0.320 -3.245) 4.550 3.229 ( -1.285 0.648 -2.110) 2.554 3.317 ( -0.740 -0.757 -1.114) 1.537 3.332 ( -1.569 -0.729 1.505) 2.293 3.376 ( 1.619 -0.346 2.307) 2.840 3.417 ( -1.703 -3.824 -2.293) 4.773 3.465 ( 0.686 0.744 1.852) 2.111 3.494 ( 0.112 -0.094 0.665) 0.681 3.501 ( -4.061 1.069 -0.217) 4.205 3.611 ( 1.782 -0.743 0.281) 1.951 3.642 ( -8.047 -0.183 -3.786) 8.895 3.675 ( -0.648 1.436 -2.932) 3.328 3.756 ( -1.423 -1.117 -0.029) 1.809 3.854 ( -0.663 0.050 -0.498) 0.831 3.865 ( 0.353 -0.344 2.172) 2.228 4.109 ( -0.042 -1.776 0.686) 1.904 4.134 ( -2.166 -2.412 -0.031) 3.242 4.316 ( 0.650 1.171 2.419) 2.766 4.330 ( -2.855 0.349 -0.264) 2.888 4.501 ( -0.240 0.571 -4.256) 4.301 4.566 ( 0.798 -0.346 -0.471) 0.989 4.600 ( 0.691 0.945 -0.435) 1.249 4.663 ( 1.010 -1.055 1.587) 2.156 4.705 ( 0.180 -0.327 0.952) 1.022 4.757 ( -1.421 1.715 -0.319) 2.250 4.800 ( -1.400 -0.379 -0.612) 1.574 4.916 ( -0.718 -0.874 -0.567) 1.265 4.977 ( -0.087 2.150 -0.186) 2.160 5.053 ( 0.062 1.484 0.359) 1.528 5.063 ( 0.407 1.069 0.641) 1.311 5.100 ( 1.365 -0.798 -0.293) 1.608 5.138 ( 0.405 1.941 0.580) 2.066 5.268 ( 0.809 -1.208 0.589) 1.568 5.474 ( -0.552 0.637 -0.310) 0.898 5.507 ( 1.035 -0.343 -0.288) 1.128 5.717 ( -0.086 1.966 -1.049) 2.230 5.841 ( -1.018 -0.078 -1.407) 1.739 6.050 ( -0.488 1.483 -0.618) 1.680 6.080 ( 1.948 0.840 0.587) 2.201 6.148 ( -1.957 -0.702 -0.246) 2.094 6.160 ( -1.108 -0.564 -0.016) 1.243 9.107 ( -1.088 0.108 -0.101) 1.098 9.115 ( -0.777 -0.087 0.257) 0.823 9.249 ( 0.817 0.648 0.525) 1.168 9.273 ( -0.228 0.003 -0.160) 0.279 9.317 ( 2.454 0.136 1.255) 2.759 9.320 ( -0.178 0.165 -0.427) 0.491 9.358 ( -2.133 -0.380 -0.989) 2.382 9.455 ( 1.610 -4.072 1.906) 4.776 9.709 ( 0.698 0.433 -0.013) 0.821 9.714 ( 0.147 0.427 0.058) 0.455 9.747 ( 0.799 -0.231 0.305) 0.886 9.751 ( -0.270 -0.272 -0.864) 0.945 9.886 ( 1.423 0.116 1.623) 2.162 9.893 ( 0.594 0.071 1.164) 1.309 9.958 ( -2.297 -0.436 -1.519) 2.788 9.970 ( -3.508 -0.336 -2.238) 4.175 10.066 ( 0.831 0.501 0.640) 1.163 10.102 ( 0.397 -0.455 1.046) 1.207 10.112 ( -0.263 0.564 -0.258) 0.674 10.142 ( -1.691 -0.253 -0.837) 1.904 10.219 ( 1.962 0.454 1.860) 2.742 10.228 ( 0.309 0.675 0.726) 1.038 10.278 ( -0.193 0.526 -0.377) 0.675 10.345 ( -3.364 -1.038 -1.815) 3.961 10.416 ( 2.732 0.166 0.934) 2.892 10.463 ( -0.523 -0.158 -0.520) 0.755 10.488 ( -0.365 1.058 -2.772) 2.990 10.507 ( 1.032 -0.096 0.419) 1.118 10.527 ( 1.090 -1.589 0.781) 2.080 10.552 ( 3.629 0.190 -0.772) 3.715 10.634 ( -3.274 -0.994 -1.817) 3.874 10.932 ( 18.988 -19.684 6.571) 28.128 11.267 ( -0.149 0.185 1.429) 1.448 11.314 ( -0.215 -0.806 0.678) 1.075 11.412 ( -0.587 0.793 0.091) 0.991 11.430 ( -1.092 -0.094 -0.842) 1.382 11.523 ( -0.014 0.059 0.914) 0.917 11.539 ( -1.433 -0.228 1.099) 1.820 11.578 ( -1.783 0.680 -1.396) 2.364 11.611 ( -1.901 0.970 -0.626) 2.224 11.705 ( -0.384 0.130 0.694) 0.804 11.717 ( -0.431 0.620 0.830) 1.122 11.790 ( 0.156 0.430 0.297) 0.545 11.814 ( 0.054 0.150 1.435) 1.444 11.896 ( -0.856 1.369 -0.307) 1.644 11.925 ( 0.125 -0.237 -1.294) 1.322 11.939 ( -0.185 -0.129 -0.798) 0.830 11.982 ( -0.008 -0.818 0.064) 0.821 ======================= Grid point 7 (6/39) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 11.198 5.369 4.825) 13.323 0.696 ( 8.716 2.967 4.052) 10.059 0.776 ( 0.125 0.484 0.234) 0.552 0.829 ( 2.195 -0.857 -1.390) 2.736 0.867 ( -1.112 0.715 -0.322) 1.361 0.879 ( -8.008 0.215 -2.908) 8.522 0.943 ( -6.665 2.732 -2.394) 7.590 0.995 ( -4.071 0.581 -2.347) 4.735 1.050 ( -4.618 1.809 -4.062) 6.412 1.062 ( -3.821 1.502 -1.406) 4.340 1.121 ( 0.870 -1.216 -2.644) 3.037 1.171 ( -1.617 0.695 0.053) 1.761 1.189 ( -1.523 -1.731 -2.223) 3.203 1.230 ( 0.004 -0.016 -1.489) 1.489 1.251 ( 2.451 1.048 -1.607) 3.113 1.295 ( -2.458 1.404 -0.864) 2.960 1.394 ( -4.608 -1.292 0.449) 4.806 1.422 ( -1.611 -2.465 1.123) 3.152 1.434 ( -2.155 -2.002 -2.616) 3.937 1.531 ( -1.168 -3.149 -2.210) 4.021 1.604 ( 9.977 0.505 7.137) 12.277 1.717 ( 14.240 -0.152 9.619) 17.185 1.743 ( 6.355 1.049 4.065) 7.616 1.827 ( 3.981 -1.580 2.224) 4.826 1.850 ( 2.145 -0.571 3.521) 4.162 1.891 ( 6.523 -0.216 2.972) 7.171 1.947 ( 0.804 -0.054 1.759) 1.934 1.968 ( 3.222 -0.320 1.998) 3.804 2.021 ( -0.006 -0.530 -1.317) 1.419 2.060 ( 0.794 1.893 0.906) 2.244 2.099 ( -0.430 0.578 -1.567) 1.725 2.128 ( 0.491 0.463 3.432) 3.498 2.167 ( -1.159 -0.166 -1.184) 1.665 2.179 ( 1.436 -1.555 0.506) 2.176 2.208 ( -3.719 0.714 -2.695) 4.648 2.221 ( -1.980 0.749 -2.887) 3.580 2.250 ( 0.241 -0.461 -1.379) 1.474 2.273 ( 2.805 0.322 3.323) 4.361 2.360 ( -3.127 1.639 -0.634) 3.587 2.389 ( 0.660 0.380 0.906) 1.184 2.406 ( 0.195 -0.564 -1.195) 1.336 2.510 ( -4.312 -2.023 -1.248) 4.924 2.594 ( -3.630 0.551 -4.083) 5.491 2.618 ( -1.215 -0.115 -1.749) 2.133 2.661 ( -2.537 0.579 -2.913) 3.906 2.724 ( 1.173 1.415 0.445) 1.891 2.774 ( -0.435 -0.534 1.677) 1.813 2.812 ( 0.370 3.084 1.758) 3.570 2.867 ( -4.066 0.565 -2.020) 4.576 2.929 ( 1.114 2.900 1.851) 3.616 2.968 ( -2.628 0.432 -1.741) 3.182 3.025 ( -1.543 2.701 -0.921) 3.244 3.057 ( -0.511 -2.456 0.242) 2.520 3.066 ( 1.994 -2.038 -2.010) 3.488 3.134 ( -0.789 -0.463 -0.769) 1.195 3.187 ( 2.780 0.776 -1.103) 3.090 3.244 ( 0.250 -0.919 2.388) 2.570 3.264 ( -3.006 -4.696 -0.712) 5.621 3.283 ( -3.080 2.485 0.034) 3.958 3.327 ( -1.293 0.388 -2.275) 2.645 3.371 ( -0.510 -1.677 3.850) 4.231 3.442 ( -0.274 1.403 -0.899) 1.689 3.488 ( -2.719 1.711 -1.662) 3.617 3.529 ( 0.174 -5.978 0.171) 5.983 3.614 ( 5.304 0.813 1.061) 5.470 3.653 ( 0.231 2.086 0.254) 2.114 3.701 ( 0.482 2.243 0.926) 2.474 3.772 ( 4.841 -2.122 2.995) 6.075 3.837 ( -0.578 0.047 -0.177) 0.607 3.915 ( 0.999 -2.513 2.048) 3.392 4.104 ( -0.717 -2.387 -0.268) 2.507 4.124 ( 0.113 -2.995 0.916) 3.133 4.232 ( -3.832 0.570 -0.829) 3.962 4.275 ( -3.300 -0.775 -2.480) 4.200 4.526 ( 3.470 1.885 -0.990) 4.071 4.555 ( -2.048 1.139 1.221) 2.642 4.605 ( 0.792 0.860 -0.205) 1.187 4.662 ( -0.592 -0.444 -0.400) 0.841 4.718 ( 0.439 1.994 0.472) 2.096 4.798 ( 1.682 -1.234 2.318) 3.119 4.822 ( 1.720 -2.135 0.938) 2.898 4.889 ( -0.825 -1.522 -0.921) 1.961 4.977 ( 0.332 2.383 0.158) 2.411 5.035 ( -1.080 1.462 -0.628) 1.923 5.052 ( -0.885 0.753 -0.583) 1.300 5.111 ( 0.114 -0.620 -0.467) 0.785 5.140 ( -0.429 2.639 -0.116) 2.676 5.268 ( -0.489 -0.928 -0.306) 1.093 5.469 ( 0.012 0.492 -0.075) 0.498 5.524 ( 0.609 -0.807 0.070) 1.014 5.713 ( 0.311 2.027 -0.298) 2.072 5.835 ( 0.473 -1.077 -0.144) 1.185 6.034 ( -0.381 1.724 -0.361) 1.802 6.092 ( -1.061 0.380 -0.311) 1.169 6.136 ( 0.437 -0.677 0.399) 0.900 6.142 ( -0.243 -0.403 0.108) 0.483 9.087 ( -0.573 0.271 -0.134) 0.648 9.105 ( -0.376 -0.176 0.135) 0.437 9.267 ( 0.057 0.236 0.305) 0.390 9.270 ( 0.233 0.308 0.066) 0.391 9.290 ( -2.348 0.269 -1.375) 2.735 9.297 ( -0.676 -0.227 -0.616) 0.942 9.368 ( 1.066 0.459 0.499) 1.263 9.459 ( -0.474 -1.283 -0.051) 1.368 9.701 ( -0.111 0.551 -0.408) 0.695 9.718 ( -0.551 0.088 -0.864) 1.028 9.736 ( 0.641 0.680 0.325) 0.989 9.788 ( 1.119 -0.649 0.558) 1.408 9.854 ( -1.552 0.075 -0.813) 1.754 9.870 ( -1.295 -0.353 -0.674) 1.502 9.993 ( 3.468 -0.159 2.671) 4.380 10.005 ( 3.191 -0.065 2.336) 3.955 10.072 ( -1.793 0.489 -0.943) 2.084 10.088 ( -0.449 0.197 -0.264) 0.557 10.089 ( -1.653 0.330 -0.783) 1.858 10.117 ( -1.648 -0.366 -1.368) 2.173 10.160 ( -0.469 1.155 -0.331) 1.290 10.233 ( -2.128 -0.612 -1.302) 2.569 10.336 ( 2.234 0.226 1.913) 2.950 10.358 ( 3.986 -0.120 2.615) 4.768 10.424 ( -1.881 0.457 -1.241) 2.299 10.450 ( -1.018 -0.321 -1.074) 1.514 10.455 ( -0.309 0.092 -1.463) 1.498 10.470 ( -1.548 -0.228 -1.816) 2.397 10.501 ( -1.698 -0.165 -1.397) 2.205 10.548 ( 0.402 -1.567 0.263) 1.639 10.712 ( 4.165 2.960 1.823) 5.426 11.163 ( 4.696 -7.579 -0.120) 8.917 11.289 ( 0.893 -0.797 1.159) 1.666 11.317 ( -0.447 -3.003 1.205) 3.267 11.392 ( -0.927 0.563 -0.510) 1.198 11.415 ( -0.092 0.434 -0.066) 0.448 11.490 ( -1.820 0.141 -0.363) 1.861 11.495 ( -1.976 -0.008 -0.080) 1.978 11.595 ( 1.713 0.194 0.872) 1.932 11.618 ( 1.352 1.193 0.938) 2.033 11.669 ( -2.317 0.293 -0.859) 2.488 11.711 ( -1.064 -0.947 -0.312) 1.459 11.762 ( -0.306 1.614 -0.094) 1.645 11.871 ( 1.097 -1.208 2.284) 2.807 11.890 ( -0.199 0.360 -0.014) 0.412 11.916 ( -0.012 -0.493 -0.463) 0.676 11.924 ( -0.026 0.174 -1.464) 1.475 11.987 ( 0.194 -0.890 0.173) 0.927 ======================= Grid point 10 (7/39) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.000 11.468 0.000) 11.468 0.533 ( 0.000 13.076 0.000) 13.076 0.649 ( 0.000 -5.114 0.000) 5.114 0.712 ( 0.000 -0.773 0.000) 0.773 0.764 ( 0.000 0.413 0.000) 0.413 0.767 ( 0.000 2.534 0.000) 2.534 0.847 ( 0.000 -3.607 0.000) 3.607 0.880 ( 0.000 -3.728 0.000) 3.728 1.037 ( 0.000 0.697 0.000) 0.697 1.044 ( 0.000 -0.312 0.000) 0.312 1.089 ( 0.000 1.223 0.000) 1.223 1.123 ( 0.000 -1.047 0.000) 1.047 1.166 ( 0.000 0.228 0.000) 0.228 1.193 ( 0.000 -2.498 0.000) 2.498 1.290 ( 0.000 1.739 0.000) 1.739 1.332 ( 0.000 -0.649 0.000) 0.649 1.365 ( 0.000 -0.310 0.000) 0.310 1.366 ( 0.000 -2.143 0.000) 2.143 1.659 ( 0.000 0.716 0.000) 0.716 1.680 ( 0.000 -1.129 0.000) 1.129 1.716 ( 0.000 1.663 0.000) 1.663 1.753 ( 0.000 -1.799 0.000) 1.799 1.793 ( 0.000 1.822 0.000) 1.822 1.837 ( 0.000 -3.024 0.000) 3.024 1.879 ( 0.000 0.359 0.000) 0.359 1.888 ( 0.000 -0.608 0.000) 0.608 1.910 ( 0.000 1.202 0.000) 1.202 1.940 ( 0.000 -1.643 0.000) 1.643 1.974 ( 0.000 -0.267 0.000) 0.267 1.978 ( 0.000 -0.790 0.000) 0.790 2.064 ( 0.000 1.639 0.000) 1.639 2.070 ( 0.000 0.770 0.000) 0.770 2.105 ( 0.000 -1.004 0.000) 1.004 2.108 ( 0.000 -1.602 0.000) 1.602 2.160 ( 0.000 0.082 0.000) 0.082 2.163 ( 0.000 -0.015 0.000) 0.015 2.229 ( 0.000 1.929 0.000) 1.929 2.286 ( 0.000 -3.761 0.000) 3.761 2.367 ( 0.000 3.443 0.000) 3.443 2.402 ( 0.000 -0.250 0.000) 0.250 2.473 ( 0.000 0.809 0.000) 0.809 2.504 ( 0.000 -2.427 0.000) 2.427 2.517 ( 0.000 4.286 0.000) 4.286 2.575 ( 0.000 -1.410 0.000) 1.410 2.613 ( 0.000 4.177 0.000) 4.177 2.671 ( 0.000 -2.004 0.000) 2.004 2.779 ( 0.000 0.825 0.000) 0.825 2.785 ( 0.000 -0.099 0.000) 0.099 2.906 ( 0.000 5.165 0.000) 5.165 2.980 ( 0.000 2.035 0.000) 2.035 2.985 ( 0.000 -4.403 0.000) 4.403 3.002 ( 0.000 -0.233 0.000) 0.233 3.079 ( 0.000 4.404 0.000) 4.404 3.092 ( 0.000 -0.898 0.000) 0.898 3.098 ( 0.000 -0.028 0.000) 0.028 3.214 ( 0.000 -5.692 0.000) 5.692 3.270 ( 0.000 -0.178 0.000) 0.178 3.281 ( 0.000 -1.332 0.000) 1.332 3.313 ( 0.000 -2.520 0.000) 2.520 3.318 ( 0.000 -1.270 0.000) 1.270 3.389 ( 0.000 2.087 0.000) 2.087 3.425 ( 0.000 -1.261 0.000) 1.261 3.558 ( 0.000 2.148 0.000) 2.148 3.583 ( 0.000 -0.844 0.000) 0.844 3.655 ( 0.000 3.340 0.000) 3.340 3.709 ( 0.000 -2.650 0.000) 2.650 3.746 ( 0.000 1.151 0.000) 1.151 3.759 ( 0.000 -0.453 0.000) 0.453 3.851 ( 0.000 -0.159 0.000) 0.159 3.854 ( 0.000 -0.344 0.000) 0.344 4.085 ( 0.000 -0.558 0.000) 0.558 4.103 ( 0.000 -2.583 0.000) 2.583 4.335 ( 0.000 1.559 0.000) 1.559 4.351 ( 0.000 0.000 0.000) 0.000 4.551 ( 0.000 0.510 0.000) 0.510 4.560 ( 0.000 -0.879 0.000) 0.879 4.570 ( 0.000 0.644 0.000) 0.644 4.594 ( 0.000 -1.530 0.000) 1.530 4.748 ( 0.000 3.081 0.000) 3.081 4.812 ( 0.000 -3.382 0.000) 3.382 4.860 ( 0.000 2.864 0.000) 2.864 4.912 ( 0.000 -2.109 0.000) 2.109 5.018 ( 0.000 2.687 0.000) 2.687 5.051 ( 0.000 0.674 0.000) 0.674 5.059 ( 0.000 0.208 0.000) 0.208 5.061 ( 0.000 -1.416 0.000) 1.416 5.163 ( 0.000 2.570 0.000) 2.570 5.212 ( 0.000 -2.564 0.000) 2.564 5.498 ( 0.000 0.003 0.000) 0.003 5.498 ( 0.000 0.004 0.000) 0.004 5.779 ( 0.000 3.688 0.000) 3.688 5.851 ( 0.000 -4.055 0.000) 4.055 6.075 ( 0.000 1.094 0.000) 1.094 6.080 ( 0.000 0.689 0.000) 0.689 6.157 ( 0.000 -0.543 0.000) 0.543 6.159 ( 0.000 -0.708 0.000) 0.708 9.119 ( 0.000 0.050 0.000) 0.050 9.120 ( 0.000 -0.096 0.000) 0.096 9.249 ( 0.000 0.823 0.000) 0.823 9.261 ( 0.000 -0.299 0.000) 0.299 9.269 ( 0.000 -0.145 0.000) 0.145 9.271 ( 0.000 -0.441 0.000) 0.441 9.343 ( 0.000 1.070 0.000) 1.070 9.364 ( 0.000 -1.109 0.000) 1.109 9.705 ( 0.000 0.676 0.000) 0.676 9.718 ( 0.000 -0.754 0.000) 0.754 9.731 ( 0.000 0.926 0.000) 0.926 9.750 ( 0.000 -1.127 0.000) 1.127 9.861 ( 0.000 0.232 0.000) 0.232 9.866 ( 0.000 -0.325 0.000) 0.325 10.042 ( 0.000 0.257 0.000) 0.257 10.047 ( 0.000 -0.344 0.000) 0.344 10.085 ( 0.000 0.197 0.000) 0.197 10.086 ( 0.000 0.133 0.000) 0.133 10.110 ( 0.000 0.581 0.000) 0.581 10.118 ( 0.000 -0.308 0.000) 0.308 10.181 ( 0.000 0.394 0.000) 0.394 10.187 ( 0.000 -0.172 0.000) 0.172 10.345 ( 0.000 0.257 0.000) 0.257 10.352 ( 0.000 -0.398 0.000) 0.398 10.400 ( 0.000 0.065 0.000) 0.065 10.402 ( 0.000 0.091 0.000) 0.091 10.418 ( 0.000 1.042 0.000) 1.042 10.443 ( 0.000 -1.427 0.000) 1.427 10.533 ( 0.000 0.547 0.000) 0.547 10.543 ( 0.000 -0.491 0.000) 0.491 10.581 ( 0.000 3.229 0.000) 3.229 10.646 ( 0.000 -3.621 0.000) 3.621 11.278 ( 0.000 1.071 0.000) 1.071 11.297 ( 0.000 -0.989 0.000) 0.989 11.428 ( 0.000 0.702 0.000) 0.702 11.441 ( 0.000 -0.693 0.000) 0.693 11.519 ( 0.000 0.605 0.000) 0.605 11.530 ( 0.000 -0.509 0.000) 0.509 11.636 ( 0.000 0.535 0.000) 0.535 11.648 ( 0.000 -0.779 0.000) 0.779 11.703 ( 0.000 1.103 0.000) 1.103 11.718 ( 0.000 -0.436 0.000) 0.436 11.774 ( 0.000 1.582 0.000) 1.582 11.802 ( 0.000 -1.461 0.000) 1.461 11.933 ( 0.000 0.132 0.000) 0.132 11.936 ( 0.000 -0.236 0.000) 0.236 11.953 ( 0.000 0.345 0.000) 0.345 11.965 ( 0.000 -0.925 0.000) 0.925 ======================= Grid point 11 (8/39) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 8.924 8.929 0.760) 12.646 0.636 ( 4.002 8.111 5.239) 10.452 0.708 ( 4.283 -3.920 0.754) 5.855 0.775 ( 1.091 0.144 -0.034) 1.101 0.798 ( 2.452 -4.654 3.150) 6.132 0.842 ( 1.919 -5.788 0.076) 6.098 0.984 ( 10.289 3.917 5.504) 12.308 0.997 ( 4.047 1.398 1.586) 4.566 1.100 ( 6.213 2.166 4.693) 8.082 1.114 ( 1.237 -0.303 -0.473) 1.359 1.141 ( 3.329 -0.641 0.961) 3.524 1.163 ( 3.577 0.582 1.945) 4.113 1.175 ( 2.436 -1.571 1.321) 3.185 1.212 ( 6.794 -3.450 2.160) 7.920 1.315 ( -2.078 2.379 1.303) 3.417 1.362 ( -0.876 -1.766 0.902) 2.168 1.402 ( 1.474 0.317 2.152) 2.627 1.412 ( -2.236 -0.707 0.248) 2.358 1.475 ( -11.931 2.328 -7.112) 14.084 1.522 ( -8.536 -2.627 -4.725) 10.104 1.584 ( -4.330 0.402 -5.064) 6.674 1.598 ( -4.297 -1.014 -5.290) 6.890 1.747 ( -2.436 2.000 -1.198) 3.372 1.771 ( -2.035 0.169 -1.881) 2.776 1.798 ( -3.054 -0.580 -4.649) 5.593 1.806 ( -2.673 -1.338 -2.490) 3.890 1.882 ( -0.223 1.590 1.371) 2.111 1.923 ( 2.234 -2.235 2.499) 4.028 1.980 ( 0.419 1.020 -0.222) 1.125 2.020 ( 0.991 -2.370 0.626) 2.644 2.050 ( 2.590 0.145 1.391) 2.944 2.060 ( 2.587 -1.063 2.257) 3.594 2.112 ( 1.374 2.429 2.421) 3.695 2.164 ( 0.783 -2.803 1.468) 3.260 2.229 ( 1.384 2.118 -0.325) 2.551 2.256 ( 1.507 1.232 -0.106) 1.949 2.293 ( 1.686 -0.226 0.291) 1.726 2.311 ( 0.094 -1.063 -0.411) 1.143 2.317 ( 1.184 1.084 0.468) 1.672 2.359 ( -2.084 -1.680 -0.740) 2.777 2.518 ( -1.187 0.405 0.015) 1.254 2.535 ( -0.551 -1.419 1.878) 2.418 2.621 ( 3.893 3.353 1.146) 5.264 2.643 ( 3.131 2.071 2.586) 4.558 2.702 ( 4.037 1.654 2.576) 5.066 2.717 ( 2.583 -0.856 2.282) 3.551 2.756 ( 0.778 -0.025 -0.204) 0.805 2.782 ( -0.005 -0.794 -0.259) 0.836 2.914 ( -0.470 3.773 2.852) 4.753 2.965 ( -1.684 -2.307 0.767) 2.957 2.992 ( -2.839 2.018 0.683) 3.549 3.020 ( -0.102 0.210 -0.807) 0.840 3.068 ( 0.802 0.671 -0.392) 1.117 3.083 ( 3.223 -1.950 -0.089) 3.769 3.156 ( 0.899 -0.111 -0.273) 0.946 3.169 ( -3.290 -0.473 -0.042) 3.324 3.235 ( 0.279 0.768 -3.445) 3.541 3.265 ( -0.473 -3.331 -3.994) 5.222 3.348 ( -0.358 -0.051 4.298) 4.313 3.356 ( 2.304 -1.531 4.352) 5.157 3.370 ( -0.497 1.385 -1.611) 2.182 3.422 ( -0.245 -3.540 -0.342) 3.565 3.526 ( -6.061 3.238 -1.134) 6.965 3.563 ( -3.299 2.107 -2.290) 4.535 3.584 ( -0.731 -0.494 0.052) 0.884 3.628 ( -3.099 -2.084 -1.093) 3.892 3.701 ( -0.739 1.389 -1.847) 2.426 3.729 ( 0.036 -1.649 -0.072) 1.651 3.858 ( -0.822 0.506 -0.263) 1.000 3.865 ( -0.559 0.050 0.809) 0.985 4.078 ( -0.738 -1.010 0.382) 1.308 4.088 ( -1.623 -2.016 0.151) 2.593 4.334 ( -1.464 0.609 0.764) 1.761 4.336 ( -2.997 0.253 -0.365) 3.030 4.518 ( 1.142 1.496 -2.513) 3.139 4.551 ( 2.298 -1.685 -1.162) 3.077 4.613 ( 1.172 1.087 1.343) 2.088 4.639 ( 1.343 -1.496 1.643) 2.596 4.722 ( -0.811 2.185 -0.128) 2.334 4.766 ( -1.989 -2.195 -1.345) 3.253 4.815 ( -1.868 3.202 -0.690) 3.771 4.875 ( -2.068 -3.081 -0.842) 3.805 5.031 ( 0.784 2.998 -0.236) 3.107 5.071 ( 0.200 -0.838 -0.053) 0.863 5.076 ( 0.150 0.643 0.690) 0.955 5.083 ( 1.053 -0.399 1.029) 1.526 5.184 ( 0.973 2.940 0.858) 3.214 5.235 ( 0.970 -2.431 0.802) 2.738 5.486 ( -0.393 0.675 -0.319) 0.844 5.498 ( 0.250 -0.608 -0.162) 0.677 5.765 ( -0.307 3.098 -1.092) 3.299 5.818 ( -1.008 -2.379 -1.439) 2.957 6.079 ( -0.003 1.493 -0.227) 1.510 6.093 ( 1.398 0.183 0.307) 1.443 6.136 ( -1.853 -0.250 -0.289) 1.892 6.145 ( -1.072 -0.916 -0.176) 1.421 9.110 ( -0.943 0.175 0.009) 0.959 9.113 ( -0.822 -0.164 0.143) 0.850 9.263 ( 0.558 0.778 0.322) 1.010 9.272 ( 0.140 -0.190 0.033) 0.238 9.321 ( 1.043 0.287 0.695) 1.286 9.323 ( 0.374 0.118 0.293) 0.490 9.355 ( -0.108 0.417 -0.007) 0.431 9.386 ( 3.429 -3.038 2.515) 5.226 9.718 ( 0.557 0.433 -0.219) 0.739 9.720 ( 0.539 0.202 0.061) 0.579 9.741 ( 0.105 -0.179 -0.198) 0.287 9.744 ( 0.700 -0.426 0.158) 0.834 9.889 ( 1.480 0.194 1.630) 2.211 9.893 ( 1.337 -0.139 1.564) 2.063 9.956 ( -3.400 0.183 -2.233) 4.072 9.962 ( -3.816 -0.448 -2.461) 4.563 10.077 ( 0.954 0.708 0.741) 1.400 10.091 ( 0.816 -0.745 0.941) 1.451 10.125 ( -0.800 0.699 -0.545) 1.194 10.136 ( -1.211 -0.486 -0.619) 1.444 10.229 ( 2.279 0.601 1.920) 3.040 10.236 ( 1.831 0.022 1.638) 2.457 10.294 ( -1.891 1.209 -1.357) 2.623 10.320 ( -2.776 -1.546 -1.718) 3.612 10.425 ( 2.685 0.933 0.838) 2.964 10.449 ( 1.803 -1.424 0.290) 2.316 10.501 ( -0.449 -0.070 -0.442) 0.634 10.504 ( -0.013 -0.419 0.295) 0.513 10.520 ( 0.066 1.659 -2.538) 3.033 10.549 ( 1.748 -0.982 -2.718) 3.378 10.628 ( 3.226 1.179 2.593) 4.303 10.697 ( 12.928 -7.125 6.615) 16.176 11.280 ( -0.034 0.995 0.415) 1.079 11.298 ( -0.069 -0.965 0.271) 1.005 11.424 ( -0.316 0.438 -0.107) 0.550 11.428 ( -0.708 -0.124 -0.546) 0.903 11.527 ( -0.561 0.305 0.856) 1.068 11.533 ( -1.089 -0.368 0.957) 1.496 11.594 ( -1.420 1.056 -1.311) 2.202 11.611 ( -1.103 -0.665 -1.110) 1.700 11.712 ( -0.849 0.611 0.716) 1.268 11.721 ( -0.883 -0.240 0.834) 1.238 11.798 ( 0.658 0.535 0.511) 0.991 11.809 ( 0.554 -0.561 0.703) 1.056 11.912 ( -0.957 0.499 -0.534) 1.204 11.919 ( -0.389 -0.355 -1.056) 1.180 11.944 ( -0.296 0.690 -0.571) 0.943 11.963 ( -0.116 -1.201 -0.226) 1.228 ======================= Grid point 12 (9/39) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 2.132 1.552 1.018) 2.827 0.760 ( 2.491 -1.136 0.952) 2.899 0.793 ( 5.680 5.666 1.439) 8.150 0.835 ( 3.323 1.424 1.496) 3.912 0.861 ( 2.279 -0.918 1.904) 3.108 0.884 ( -2.541 -2.092 0.047) 3.291 0.986 ( -3.690 2.160 -1.820) 4.647 1.013 ( -0.919 0.530 -0.132) 1.069 1.062 ( 0.330 1.047 -2.397) 2.636 1.088 ( -2.939 -0.745 -3.639) 4.737 1.136 ( -4.051 -0.050 -2.993) 5.037 1.149 ( -4.483 2.206 0.910) 5.079 1.207 ( 0.670 1.417 -2.643) 3.072 1.222 ( 0.203 -0.135 -0.424) 0.489 1.252 ( 2.608 -0.400 -0.671) 2.722 1.298 ( -5.681 -4.119 -2.890) 7.589 1.354 ( -3.620 0.772 -1.256) 3.909 1.383 ( -3.179 -1.843 -1.132) 3.845 1.434 ( -4.027 1.677 -2.525) 5.040 1.477 ( -2.170 -2.779 -2.333) 4.228 1.635 ( 10.472 3.022 7.546) 13.256 1.695 ( 12.403 -2.686 8.331) 15.181 1.755 ( 5.194 0.788 3.208) 6.156 1.784 ( 4.543 -2.458 2.537) 5.755 1.854 ( 4.755 0.894 4.697) 6.743 1.875 ( 5.788 -1.221 3.892) 7.081 1.958 ( 1.028 1.344 1.264) 2.113 1.984 ( 0.097 -0.560 0.397) 0.693 2.018 ( 3.059 2.445 0.163) 3.919 2.083 ( 1.635 -2.744 0.549) 3.241 2.097 ( 0.732 1.315 0.021) 1.505 2.131 ( -0.579 0.547 -0.508) 0.945 2.136 ( 1.158 -1.855 1.996) 2.961 2.151 ( -0.206 -0.981 1.086) 1.478 2.216 ( -3.396 0.624 -3.960) 5.254 2.233 ( -3.907 -0.927 -2.557) 4.761 2.276 ( 0.353 3.761 0.037) 3.778 2.314 ( 3.516 2.917 1.366) 4.768 2.342 ( 0.332 -3.017 0.109) 3.037 2.362 ( 3.166 -2.220 0.986) 3.990 2.439 ( -3.391 2.437 0.354) 4.191 2.481 ( -5.675 -1.689 -1.670) 6.152 2.581 ( -5.420 -0.192 -3.654) 6.539 2.601 ( -7.192 -1.441 -5.275) 9.035 2.709 ( 3.379 2.630 -0.390) 4.300 2.736 ( 3.434 -0.437 0.108) 3.463 2.810 ( -0.638 4.586 2.104) 5.086 2.863 ( 1.478 0.599 0.712) 1.747 2.897 ( -4.442 2.284 -1.146) 5.124 2.939 ( -3.279 -2.198 -1.740) 4.314 2.977 ( 1.107 1.504 2.162) 2.857 3.003 ( 0.162 -2.415 1.846) 3.044 3.045 ( -1.051 1.039 -3.585) 3.878 3.081 ( -2.613 1.732 0.062) 3.136 3.118 ( 1.301 -2.599 -1.464) 3.254 3.136 ( -2.313 -3.838 -0.244) 4.488 3.222 ( -0.059 0.270 -1.860) 1.881 3.226 ( 0.010 -0.736 0.695) 1.013 3.331 ( -0.904 1.821 -0.232) 2.046 3.345 ( -2.467 1.124 -0.456) 2.749 3.364 ( -0.763 1.148 2.175) 2.575 3.423 ( 0.806 -4.563 1.127) 4.769 3.467 ( 0.498 1.014 -1.333) 1.747 3.492 ( -0.954 -1.131 -2.056) 2.533 3.656 ( 4.758 3.370 0.934) 5.905 3.690 ( -0.619 1.901 1.607) 2.565 3.716 ( 0.047 -1.078 0.380) 1.144 3.723 ( 4.577 -2.786 3.649) 6.483 3.844 ( -0.373 0.925 -0.108) 1.003 3.871 ( -0.064 -1.960 1.337) 2.373 4.065 ( -0.730 -1.303 -0.216) 1.509 4.073 ( -0.524 -2.083 -0.001) 2.148 4.242 ( -3.347 0.606 -1.300) 3.641 4.257 ( -3.309 -1.064 -2.024) 4.022 4.565 ( 2.642 1.975 -0.555) 3.345 4.577 ( 0.029 0.808 0.211) 0.835 4.623 ( -0.124 1.011 0.078) 1.021 4.646 ( -0.390 -1.313 -0.108) 1.375 4.754 ( 1.258 1.352 1.668) 2.488 4.776 ( 1.896 -1.413 1.371) 2.733 4.800 ( 0.216 1.017 0.475) 1.143 4.844 ( -0.531 -2.919 -0.344) 2.987 5.029 ( -0.099 2.620 -0.456) 2.661 5.057 ( -0.651 -0.309 -0.685) 0.994 5.064 ( -1.196 1.450 -0.235) 1.894 5.092 ( -0.370 -1.447 -0.348) 1.533 5.194 ( -0.168 3.022 -0.013) 3.026 5.241 ( -0.304 -2.053 -0.132) 2.080 5.483 ( 0.101 1.043 -0.067) 1.050 5.504 ( 0.326 -1.239 0.017) 1.282 5.759 ( 0.337 2.804 -0.336) 2.844 5.805 ( 0.316 -2.168 -0.321) 2.214 6.069 ( -0.559 1.912 -0.172) 1.999 6.094 ( -1.380 -0.549 -0.256) 1.508 6.125 ( 0.873 -0.189 0.300) 0.942 6.131 ( -0.199 -0.646 -0.018) 0.677 9.093 ( -0.501 0.398 -0.058) 0.642 9.100 ( -0.427 -0.340 0.043) 0.548 9.274 ( 0.005 0.386 0.259) 0.465 9.276 ( 0.208 0.232 0.011) 0.312 9.291 ( -1.744 -0.112 -1.014) 2.020 9.292 ( -1.027 -0.281 -0.797) 1.330 9.388 ( 0.826 1.793 0.502) 2.037 9.426 ( 0.262 -2.168 0.307) 2.205 9.712 ( -0.151 0.489 -0.433) 0.670 9.717 ( -0.231 -0.145 -0.600) 0.660 9.753 ( 0.676 1.069 0.322) 1.305 9.773 ( 0.914 -1.044 0.437) 1.454 9.857 ( -1.559 0.239 -0.817) 1.777 9.863 ( -1.501 -0.398 -0.799) 1.747 9.994 ( 3.553 0.276 2.799) 4.532 10.001 ( 3.474 -0.373 2.699) 4.414 10.081 ( -1.785 0.503 -1.059) 2.136 10.088 ( -1.863 -0.169 -1.035) 2.137 10.099 ( -0.249 0.558 -0.226) 0.652 10.108 ( -0.519 -0.533 -0.495) 0.893 10.186 ( -1.721 1.657 -1.211) 2.679 10.215 ( -2.131 -1.341 -1.409) 2.885 10.343 ( 2.770 0.527 2.138) 3.539 10.353 ( 3.437 -0.471 2.452) 4.248 10.434 ( -1.761 0.571 -1.237) 2.226 10.443 ( -1.502 -0.423 -1.275) 2.015 10.459 ( -0.988 0.309 -1.826) 2.098 10.465 ( -1.428 -0.316 -1.915) 2.409 10.501 ( -0.405 0.337 -0.427) 0.678 10.518 ( 0.369 -1.486 0.173) 1.541 10.800 ( 5.541 7.016 2.480) 9.278 10.968 ( 6.862 -11.231 2.784) 13.453 11.286 ( 0.077 0.547 0.503) 0.748 11.298 ( -0.234 -0.685 0.169) 0.743 11.408 ( -0.518 1.053 -0.355) 1.226 11.421 ( 0.016 -0.153 0.023) 0.156 11.493 ( -1.853 0.093 -0.364) 1.891 11.493 ( -1.934 -0.047 -0.247) 1.950 11.606 ( 1.695 1.056 0.764) 2.139 11.624 ( 1.676 -0.544 0.875) 1.968 11.676 ( -2.198 0.523 -0.720) 2.372 11.691 ( -1.989 -1.104 -0.669) 2.371 11.796 ( -0.129 2.076 0.140) 2.085 11.836 ( 0.366 -2.309 0.927) 2.515 11.898 ( -0.294 0.543 -0.381) 0.725 11.908 ( -0.133 -0.458 -0.282) 0.554 11.938 ( 0.238 1.200 -0.374) 1.279 11.964 ( 0.241 -1.510 0.031) 1.529 ======================= Grid point 25 (10/39) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( 1.385 0.000 14.541) 14.607 0.347 ( -7.445 0.000 16.852) 18.423 0.520 ( 20.811 0.000 25.129) 32.628 0.737 ( 1.788 0.000 1.496) 2.331 0.827 ( -0.393 0.000 1.187) 1.251 0.850 ( 4.671 0.000 -1.754) 4.989 0.924 ( -2.577 0.000 -3.149) 4.069 0.957 ( 3.393 0.000 1.527) 3.721 1.034 ( 1.552 0.000 0.118) 1.556 1.056 ( 2.077 0.000 3.309) 3.907 1.124 ( -3.951 0.000 -6.621) 7.710 1.146 ( 0.564 0.000 -0.809) 0.986 1.202 ( 10.669 0.000 -1.846) 10.827 1.240 ( 2.474 0.000 0.652) 2.558 1.286 ( 3.355 0.000 0.898) 3.473 1.309 ( 3.657 0.000 4.757) 6.001 1.379 ( 2.230 0.000 0.437) 2.273 1.538 ( 1.958 0.000 1.450) 2.436 1.559 ( -1.037 0.000 -2.356) 2.574 1.671 ( -10.373 0.000 -3.835) 11.059 1.691 ( -8.533 0.000 -5.333) 10.062 1.707 ( -5.836 0.000 -5.168) 7.795 1.723 ( -5.989 0.000 -3.610) 6.993 1.757 ( -0.640 0.000 -7.818) 7.845 1.860 ( -8.844 0.000 -4.769) 10.048 1.879 ( -0.605 0.000 -0.533) 0.807 1.903 ( -6.875 0.000 -6.151) 9.225 1.958 ( 2.362 0.000 -2.172) 3.209 1.968 ( -1.146 0.000 1.250) 1.696 2.002 ( 4.497 0.000 2.516) 5.153 2.066 ( 0.745 0.000 2.633) 2.737 2.068 ( 0.514 0.000 1.609) 1.689 2.118 ( -0.867 0.000 3.088) 3.207 2.191 ( 8.005 0.000 3.561) 8.761 2.196 ( -0.891 0.000 3.353) 3.470 2.231 ( -0.153 0.000 0.465) 0.489 2.249 ( 0.655 0.000 1.883) 1.993 2.289 ( -2.781 0.000 1.175) 3.019 2.336 ( 0.362 0.000 -3.706) 3.724 2.387 ( 0.990 0.000 -1.925) 2.164 2.453 ( 3.440 0.000 0.985) 3.579 2.506 ( -2.994 0.000 3.902) 4.919 2.507 ( 3.312 0.000 5.089) 6.072 2.584 ( 3.997 0.000 4.011) 5.663 2.613 ( 7.641 0.000 4.513) 8.874 2.714 ( -1.777 0.000 5.111) 5.411 2.723 ( -0.961 0.000 0.289) 1.003 2.797 ( 3.253 0.000 -0.348) 3.271 2.814 ( 1.968 0.000 5.743) 6.071 2.894 ( 0.333 0.000 -1.660) 1.693 2.984 ( 2.839 0.000 0.499) 2.883 2.997 ( -2.543 0.000 -2.620) 3.651 3.085 ( -1.322 0.000 -3.604) 3.839 3.161 ( -0.631 0.000 -3.193) 3.255 3.176 ( -0.679 0.000 4.834) 4.881 3.206 ( 0.417 0.000 -3.303) 3.330 3.241 ( -4.044 0.000 0.203) 4.049 3.265 ( 4.171 0.000 -1.609) 4.470 3.309 ( 0.094 0.000 -1.354) 1.357 3.405 ( 1.848 0.000 0.348) 1.880 3.410 ( 0.581 0.000 0.157) 0.602 3.474 ( -2.202 0.000 2.262) 3.157 3.501 ( 0.039 0.000 -1.345) 1.345 3.553 ( -1.176 0.000 0.146) 1.185 3.652 ( -2.037 0.000 -2.639) 3.334 3.657 ( -3.402 0.000 1.197) 3.607 3.756 ( -3.517 0.000 -2.794) 4.492 3.779 ( 0.287 0.000 -0.971) 1.013 3.846 ( 1.945 0.000 -1.198) 2.284 3.859 ( -1.349 0.000 -2.201) 2.581 4.126 ( 0.440 0.000 0.311) 0.538 4.184 ( -0.202 0.000 -0.710) 0.738 4.285 ( 2.452 0.000 1.808) 3.046 4.326 ( 2.437 0.000 0.645) 2.521 4.491 ( -2.444 0.000 -2.199) 3.287 4.545 ( -0.985 0.000 -2.873) 3.037 4.586 ( 0.491 0.000 2.329) 2.380 4.658 ( 1.529 0.000 1.709) 2.293 4.744 ( 1.042 0.000 -0.845) 1.342 4.769 ( -3.738 0.000 -0.006) 3.738 4.819 ( -1.043 0.000 1.516) 1.840 4.913 ( -0.017 0.000 4.174) 4.174 5.013 ( -0.927 0.000 -0.352) 0.992 5.031 ( 0.239 0.000 0.388) 0.455 5.044 ( -2.850 0.000 -2.051) 3.511 5.093 ( 0.373 0.000 -0.451) 0.585 5.134 ( -0.599 0.000 1.682) 1.786 5.249 ( 2.051 0.000 -1.136) 2.345 5.480 ( -0.699 0.000 1.018) 1.235 5.553 ( -6.615 0.000 -0.630) 6.645 5.726 ( -3.821 0.000 0.379) 3.840 5.818 ( 0.341 0.000 -1.682) 1.716 6.045 ( 1.002 0.000 0.198) 1.021 6.047 ( -1.008 0.000 0.123) 1.016 6.176 ( 0.166 0.000 -0.146) 0.221 6.177 ( -0.344 0.000 -0.170) 0.384 9.125 ( -0.401 0.000 0.521) 0.658 9.127 ( 0.352 0.000 0.454) 0.574 9.235 ( 0.344 0.000 0.314) 0.466 9.267 ( 0.554 0.000 -0.550) 0.781 9.292 ( 0.693 0.000 0.854) 1.100 9.322 ( -0.428 0.000 -0.201) 0.473 9.392 ( -1.009 0.000 0.514) 1.132 9.416 ( 13.608 0.000 0.083) 13.608 9.710 ( -0.569 0.000 -0.318) 0.652 9.715 ( -0.443 0.000 -0.534) 0.694 9.726 ( 0.866 0.000 0.449) 0.975 9.771 ( -1.355 0.000 -0.452) 1.428 9.866 ( 1.599 0.000 0.886) 1.828 9.881 ( 1.377 0.000 0.724) 1.556 10.008 ( -3.697 0.000 -2.485) 4.455 10.008 ( -1.743 0.000 -0.982) 2.000 10.068 ( -1.023 0.000 -0.268) 1.058 10.100 ( 1.810 0.000 1.458) 2.324 10.109 ( -0.086 0.000 -0.720) 0.725 10.158 ( -0.304 0.000 -0.789) 0.845 10.189 ( 4.380 0.000 1.801) 4.735 10.219 ( 1.752 0.000 2.572) 3.112 10.324 ( -5.803 0.000 -2.198) 6.205 10.380 ( 1.340 0.000 0.580) 1.460 10.399 ( -0.252 0.000 -1.618) 1.637 10.413 ( 9.587 0.000 0.246) 9.590 10.435 ( 4.712 0.000 2.059) 5.142 10.474 ( -0.204 0.000 -0.615) 0.648 10.499 ( 3.409 0.000 -1.135) 3.593 10.536 ( -0.639 0.000 -1.804) 1.914 10.627 ( 20.592 0.000 2.615) 20.758 10.721 ( -5.354 0.000 -0.140) 5.356 11.303 ( -0.375 0.000 0.992) 1.061 11.376 ( -0.406 0.000 0.922) 1.007 11.384 ( 1.887 0.000 -1.118) 2.193 11.423 ( -0.279 0.000 -0.493) 0.566 11.510 ( 0.907 0.000 0.505) 1.038 11.550 ( 1.363 0.000 0.782) 1.571 11.572 ( -1.626 0.000 -0.814) 1.818 11.690 ( 1.836 0.000 1.187) 2.186 11.691 ( -2.626 0.000 -2.278) 3.476 11.724 ( -0.760 0.000 -0.092) 0.766 11.769 ( 4.664 0.000 1.402) 4.870 11.832 ( -3.233 0.000 -0.384) 3.256 11.846 ( 1.828 0.000 0.505) 1.897 11.934 ( -0.133 0.000 -1.176) 1.183 11.987 ( 0.284 0.000 -0.191) 0.342 11.998 ( -4.177 0.000 -0.451) 4.201 ======================= Grid point 26 (11/39) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 5.418 0.000 11.613) 12.814 0.541 ( 8.417 0.000 12.395) 14.983 0.769 ( -0.582 0.000 -3.047) 3.102 0.825 ( 3.624 0.000 3.142) 4.796 0.846 ( -1.958 0.000 -2.937) 3.530 0.962 ( -2.601 0.000 -2.923) 3.913 0.977 ( 7.211 0.000 -0.445) 7.224 1.031 ( 3.218 0.000 -1.974) 3.775 1.044 ( -0.121 0.000 -0.680) 0.691 1.090 ( -5.151 0.000 -4.279) 6.696 1.134 ( -14.140 0.000 -12.144) 18.639 1.152 ( -1.277 0.000 -3.744) 3.955 1.200 ( 1.211 0.000 3.404) 3.613 1.253 ( -1.221 0.000 -1.376) 1.839 1.310 ( -6.514 0.000 -6.111) 8.932 1.338 ( -2.740 0.000 0.643) 2.815 1.353 ( 11.140 0.000 9.743) 14.800 1.436 ( 4.656 0.000 3.390) 5.759 1.510 ( 0.577 0.000 0.286) 0.644 1.511 ( 2.883 0.000 3.346) 4.417 1.540 ( -5.433 0.000 -0.514) 5.457 1.612 ( -1.348 0.000 -3.791) 4.023 1.640 ( 5.183 0.000 2.935) 5.956 1.763 ( 6.371 0.000 3.201) 7.130 1.805 ( 3.378 0.000 2.703) 4.327 1.837 ( 1.996 0.000 -1.054) 2.257 1.915 ( 4.352 0.000 0.645) 4.399 1.980 ( -0.533 0.000 3.874) 3.911 2.015 ( 4.073 0.000 -1.880) 4.486 2.047 ( -0.674 0.000 -0.026) 0.675 2.092 ( -0.113 0.000 -0.004) 0.113 2.099 ( 0.024 0.000 1.550) 1.550 2.152 ( 1.863 0.000 3.659) 4.106 2.194 ( -1.005 0.000 0.235) 1.032 2.204 ( -2.200 0.000 1.839) 2.867 2.218 ( 0.435 0.000 0.372) 0.573 2.274 ( -2.106 0.000 -4.701) 5.152 2.309 ( 2.659 0.000 -0.229) 2.668 2.339 ( 2.182 0.000 -1.313) 2.547 2.371 ( -1.091 0.000 0.163) 1.103 2.420 ( -5.478 0.000 -1.885) 5.793 2.568 ( 0.387 0.000 -2.453) 2.483 2.590 ( 1.655 0.000 3.166) 3.573 2.650 ( -1.257 0.000 5.387) 5.531 2.724 ( -4.303 0.000 0.167) 4.306 2.740 ( 0.593 0.000 1.630) 1.734 2.774 ( -5.506 0.000 -1.373) 5.674 2.801 ( 4.517 0.000 0.310) 4.528 2.877 ( 5.247 0.000 3.006) 6.047 2.908 ( -2.587 0.000 -0.465) 2.628 2.969 ( -2.965 0.000 -6.699) 7.326 2.970 ( 0.682 0.000 1.272) 1.443 3.017 ( 1.191 0.000 -3.689) 3.876 3.114 ( 0.003 0.000 -4.020) 4.020 3.145 ( -3.410 0.000 1.371) 3.676 3.165 ( -1.715 0.000 2.154) 2.753 3.270 ( 0.413 0.000 3.974) 3.996 3.285 ( 0.269 0.000 -3.465) 3.476 3.331 ( 3.579 0.000 -3.298) 4.867 3.385 ( -2.554 0.000 0.513) 2.605 3.408 ( -4.412 0.000 0.980) 4.520 3.472 ( -1.428 0.000 -1.779) 2.282 3.534 ( 5.568 0.000 4.466) 7.137 3.555 ( -8.533 0.000 -2.483) 8.887 3.587 ( 1.327 0.000 -0.157) 1.337 3.599 ( 2.742 0.000 0.665) 2.821 3.645 ( -1.151 0.000 2.133) 2.424 3.767 ( 0.333 0.000 1.177) 1.223 3.831 ( 0.052 0.000 -1.940) 1.941 3.893 ( 4.077 0.000 -0.806) 4.156 4.143 ( 0.968 0.000 0.784) 1.246 4.150 ( -1.892 0.000 -0.722) 2.025 4.311 ( -4.418 0.000 -1.475) 4.658 4.322 ( -2.559 0.000 -1.762) 3.107 4.448 ( 2.236 0.000 0.773) 2.366 4.547 ( 3.267 0.000 -0.749) 3.352 4.612 ( -1.889 0.000 1.838) 2.636 4.671 ( -0.660 0.000 -1.319) 1.475 4.704 ( -1.215 0.000 0.697) 1.401 4.799 ( 4.337 0.000 1.808) 4.699 4.838 ( -0.145 0.000 4.494) 4.496 4.927 ( -2.386 0.000 1.820) 3.001 4.956 ( -0.570 0.000 -1.407) 1.518 5.030 ( -0.707 0.000 -0.299) 0.768 5.048 ( -0.119 0.000 -0.481) 0.495 5.104 ( 0.940 0.000 -0.885) 1.291 5.130 ( -1.484 0.000 0.914) 1.743 5.265 ( 0.694 0.000 -1.767) 1.899 5.478 ( -0.738 0.000 1.366) 1.553 5.517 ( 0.380 0.000 0.584) 0.697 5.702 ( -0.751 0.000 1.255) 1.463 5.819 ( 1.440 0.000 -1.036) 1.774 6.026 ( -0.875 0.000 -0.137) 0.886 6.082 ( 1.685 0.000 0.190) 1.696 6.152 ( -1.356 0.000 0.060) 1.357 6.165 ( -1.184 0.000 -0.037) 1.185 9.106 ( -1.617 0.000 0.135) 1.622 9.124 ( -0.997 0.000 0.469) 1.102 9.252 ( 0.959 0.000 0.362) 1.025 9.265 ( 0.075 0.000 -0.600) 0.605 9.305 ( -0.672 0.000 -0.616) 0.912 9.327 ( -0.467 0.000 -0.542) 0.715 9.351 ( -1.384 0.000 -0.005) 1.384 9.475 ( 0.038 0.000 -1.687) 1.687 9.695 ( -0.345 0.000 -0.340) 0.485 9.718 ( 0.786 0.000 0.285) 0.836 9.728 ( -1.574 0.000 -0.935) 1.831 9.768 ( 2.160 0.000 1.012) 2.385 9.884 ( -2.426 0.000 -1.382) 2.792 9.898 ( -1.589 0.000 -0.844) 1.799 9.962 ( 1.851 0.000 1.410) 2.327 9.972 ( 2.262 0.000 1.711) 2.836 10.077 ( 0.599 0.000 0.905) 1.085 10.089 ( -1.072 0.000 -0.652) 1.254 10.123 ( -2.050 0.000 -1.091) 2.323 10.136 ( 0.964 0.000 0.915) 1.329 10.175 ( -5.046 0.000 -2.602) 5.677 10.259 ( 0.138 0.000 0.714) 0.727 10.313 ( 3.031 0.000 3.004) 4.267 10.329 ( -0.938 0.000 -0.045) 0.939 10.432 ( 2.316 0.000 0.701) 2.420 10.432 ( 0.512 0.000 -2.031) 2.095 10.449 ( -2.097 0.000 -0.874) 2.272 10.482 ( -1.790 0.000 -2.993) 3.487 10.526 ( 0.514 0.000 -1.161) 1.270 10.542 ( 1.908 0.000 -0.852) 2.089 10.626 ( 0.550 0.000 0.074) 0.555 11.036 ( 15.562 0.000 -5.857) 16.628 11.304 ( -0.622 0.000 1.016) 1.191 11.380 ( -0.110 0.000 0.692) 0.700 11.384 ( 0.253 0.000 -2.670) 2.682 11.405 ( -0.578 0.000 0.035) 0.579 11.522 ( -1.990 0.000 -0.903) 2.186 11.555 ( 2.726 0.000 0.782) 2.836 11.587 ( -4.898 0.000 -0.833) 4.968 11.593 ( 0.694 0.000 2.210) 2.316 11.697 ( -1.797 0.000 -0.819) 1.974 11.729 ( 0.514 0.000 0.677) 0.850 11.760 ( -2.512 0.000 -1.160) 2.767 11.862 ( 3.489 0.000 1.465) 3.784 11.877 ( 0.618 0.000 0.520) 0.807 11.913 ( -0.186 0.000 -2.023) 2.031 11.941 ( -2.140 0.000 1.293) 2.500 11.993 ( 0.278 0.000 0.292) 0.403 ======================= Grid point 27 (12/39) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 5.407 0.000 0.128) 5.408 0.727 ( -0.316 0.000 -5.861) 5.870 0.778 ( -3.185 0.000 -0.833) 3.292 0.783 ( 7.462 0.000 4.513) 8.720 0.822 ( 1.728 0.000 3.728) 4.109 0.856 ( -3.528 0.000 -0.540) 3.569 0.903 ( -0.479 0.000 0.025) 0.479 0.944 ( -5.090 0.000 -0.214) 5.094 0.948 ( -1.039 0.000 1.251) 1.626 1.059 ( 0.885 0.000 0.952) 1.300 1.109 ( 4.318 0.000 -2.085) 4.795 1.149 ( -0.854 0.000 -0.751) 1.138 1.180 ( 5.273 0.000 -0.923) 5.353 1.189 ( 1.936 0.000 -0.881) 2.127 1.246 ( -0.202 0.000 2.397) 2.405 1.303 ( 1.019 0.000 0.019) 1.020 1.397 ( -6.014 0.000 -0.478) 6.033 1.442 ( 0.432 0.000 -0.640) 0.772 1.442 ( -0.715 0.000 -0.460) 0.850 1.550 ( 2.151 0.000 1.185) 2.456 1.669 ( -0.777 0.000 1.592) 1.771 1.802 ( -3.967 0.000 -6.309) 7.453 1.820 ( -1.759 0.000 -1.419) 2.260 1.855 ( 2.949 0.000 1.714) 3.411 1.876 ( -0.530 0.000 -1.013) 1.144 1.930 ( 1.835 0.000 0.778) 1.993 1.961 ( 1.314 0.000 1.538) 2.022 2.022 ( -0.109 0.000 0.899) 0.906 2.030 ( -0.237 0.000 -1.505) 1.524 2.039 ( 0.580 0.000 -1.135) 1.275 2.088 ( 0.871 0.000 0.409) 0.962 2.114 ( 0.635 0.000 0.155) 0.654 2.132 ( -0.407 0.000 1.908) 1.951 2.136 ( -0.486 0.000 -1.401) 1.483 2.208 ( 0.155 0.000 0.252) 0.296 2.215 ( -0.394 0.000 3.301) 3.324 2.248 ( 4.190 0.000 -0.817) 4.268 2.308 ( -2.562 0.000 0.794) 2.682 2.324 ( -4.406 0.000 -1.486) 4.650 2.369 ( 1.151 0.000 -1.729) 2.077 2.423 ( 1.829 0.000 -0.962) 2.067 2.541 ( 0.517 0.000 4.131) 4.164 2.563 ( 3.157 0.000 -1.793) 3.631 2.620 ( -3.980 0.000 5.995) 7.196 2.654 ( -1.388 0.000 0.648) 1.532 2.698 ( -0.955 0.000 -1.183) 1.520 2.725 ( 0.852 0.000 -4.670) 4.747 2.819 ( -2.459 0.000 -5.471) 5.998 2.851 ( 1.535 0.000 0.464) 1.603 2.887 ( 0.585 0.000 3.401) 3.451 2.945 ( -2.779 0.000 3.475) 4.450 2.977 ( 1.649 0.000 -1.743) 2.400 3.020 ( 4.144 0.000 -5.199) 6.649 3.097 ( 2.352 0.000 1.024) 2.566 3.149 ( -0.988 0.000 -0.914) 1.346 3.160 ( 0.877 0.000 1.614) 1.837 3.247 ( -1.307 0.000 -2.025) 2.410 3.302 ( -6.134 0.000 1.889) 6.418 3.307 ( 1.498 0.000 -0.552) 1.597 3.361 ( -0.153 0.000 0.344) 0.376 3.370 ( -1.546 0.000 2.117) 2.622 3.429 ( -0.528 0.000 -2.189) 2.252 3.462 ( -2.021 0.000 1.757) 2.678 3.563 ( 2.330 0.000 -2.450) 3.381 3.638 ( -1.440 0.000 1.693) 2.223 3.666 ( 0.307 0.000 1.183) 1.222 3.679 ( 0.588 0.000 2.143) 2.223 3.810 ( 1.183 0.000 -1.959) 2.288 3.825 ( 0.919 0.000 -0.878) 1.271 3.920 ( -0.086 0.000 -4.280) 4.281 4.116 ( 0.294 0.000 -0.923) 0.969 4.152 ( -0.356 0.000 -2.063) 2.093 4.210 ( -3.194 0.000 -0.515) 3.235 4.260 ( 0.264 0.000 1.132) 1.162 4.499 ( 1.335 0.000 0.420) 1.400 4.583 ( -2.672 0.000 2.111) 3.405 4.601 ( 1.688 0.000 0.351) 1.724 4.646 ( 0.310 0.000 -1.378) 1.412 4.714 ( -0.291 0.000 0.639) 0.703 4.860 ( -4.128 0.000 1.489) 4.388 4.862 ( 0.041 0.000 -0.506) 0.507 4.913 ( 0.267 0.000 5.457) 5.464 4.953 ( 0.564 0.000 -2.296) 2.364 5.016 ( -0.042 0.000 0.529) 0.531 5.036 ( 0.203 0.000 0.212) 0.293 5.105 ( 1.276 0.000 -0.987) 1.613 5.115 ( -0.605 0.000 0.925) 1.105 5.254 ( 0.886 0.000 -1.722) 1.936 5.480 ( -0.826 0.000 1.581) 1.784 5.533 ( 0.503 0.000 0.009) 0.503 5.711 ( -0.443 0.000 1.963) 2.013 5.839 ( 0.986 0.000 -0.620) 1.165 6.020 ( -0.054 0.000 0.753) 0.755 6.084 ( -0.374 0.000 -0.107) 0.389 6.142 ( -0.830 0.000 -0.131) 0.840 6.150 ( 0.034 0.000 -0.033) 0.047 9.086 ( -0.500 0.000 0.364) 0.619 9.110 ( -0.705 0.000 0.168) 0.724 9.255 ( -0.152 0.000 -1.092) 1.103 9.266 ( 0.297 0.000 -0.257) 0.392 9.274 ( -0.098 0.000 0.225) 0.246 9.296 ( 0.159 0.000 0.184) 0.243 9.367 ( 0.514 0.000 -0.269) 0.580 9.458 ( 0.108 0.000 -1.007) 1.013 9.696 ( 0.341 0.000 0.408) 0.532 9.712 ( 0.323 0.000 0.503) 0.598 9.733 ( 0.259 0.000 -0.015) 0.260 9.799 ( 0.276 0.000 -0.096) 0.292 9.844 ( -0.243 0.000 -0.120) 0.271 9.868 ( -0.162 0.000 -0.026) 0.164 10.035 ( 1.124 0.000 0.689) 1.318 10.046 ( -0.447 0.000 0.222) 0.499 10.048 ( -0.637 0.000 -0.597) 0.873 10.049 ( -1.861 0.000 -0.769) 2.014 10.089 ( 0.226 0.000 0.327) 0.398 10.105 ( -0.024 0.000 0.565) 0.565 10.154 ( 0.160 0.000 -0.135) 0.210 10.223 ( -0.238 0.000 -0.071) 0.248 10.355 ( -0.898 0.000 -0.432) 0.997 10.406 ( 0.004 0.000 0.458) 0.458 10.412 ( -2.738 0.000 -2.011) 3.397 10.419 ( 3.404 0.000 3.140) 4.631 10.446 ( 1.773 0.000 0.557) 1.859 10.453 ( 1.101 0.000 -0.090) 1.105 10.495 ( 0.038 0.000 0.121) 0.127 10.555 ( 0.619 0.000 -1.076) 1.241 10.689 ( 2.097 0.000 -1.234) 2.433 11.177 ( 6.043 0.000 -3.015) 6.754 11.300 ( -0.697 0.000 0.607) 0.924 11.344 ( -0.613 0.000 -4.626) 4.667 11.384 ( -0.089 0.000 0.321) 0.333 11.401 ( 0.192 0.000 -0.405) 0.448 11.489 ( -0.881 0.000 0.380) 0.960 11.516 ( -2.220 0.000 0.910) 2.399 11.603 ( -1.361 0.000 0.548) 1.467 11.616 ( 2.283 0.000 0.112) 2.286 11.645 ( -1.824 0.000 -0.980) 2.071 11.714 ( -0.138 0.000 -0.350) 0.376 11.745 ( -0.090 0.000 -0.061) 0.108 11.873 ( -0.824 0.000 -3.265) 3.367 11.888 ( 0.008 0.000 0.879) 0.879 11.926 ( 1.356 0.000 0.788) 1.569 11.934 ( -0.218 0.000 1.587) 1.602 11.998 ( -0.218 0.000 0.101) 0.240 ======================= Grid point 28 (13/39) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -14.143 0.000 -2.342) 14.335 0.610 ( -13.786 0.000 3.870) 14.319 0.772 ( 3.327 0.000 -0.500) 3.364 0.836 ( -3.753 0.000 -1.127) 3.918 0.905 ( 2.277 0.000 1.803) 2.905 0.936 ( 2.915 0.000 1.148) 3.133 0.965 ( 12.376 0.000 2.284) 12.585 1.032 ( 1.323 0.000 -2.088) 2.471 1.080 ( -0.501 0.000 0.654) 0.824 1.106 ( 3.142 0.000 1.732) 3.588 1.127 ( 1.891 0.000 -0.824) 2.063 1.187 ( 3.642 0.000 1.743) 4.038 1.239 ( -8.873 0.000 -3.574) 9.566 1.261 ( -5.627 0.000 -0.834) 5.688 1.275 ( 6.003 0.000 4.269) 7.367 1.344 ( 8.149 0.000 4.291) 9.210 1.352 ( -3.518 0.000 -0.511) 3.555 1.407 ( 1.864 0.000 -0.207) 1.876 1.473 ( 2.185 0.000 1.839) 2.855 1.516 ( -1.476 0.000 -1.152) 1.872 1.536 ( -7.687 0.000 -3.677) 8.521 1.646 ( -3.064 0.000 -1.767) 3.538 1.670 ( 0.560 0.000 1.300) 1.415 1.779 ( -7.532 0.000 -5.804) 9.509 1.797 ( 3.591 0.000 0.527) 3.629 1.822 ( -0.038 0.000 -3.769) 3.770 1.855 ( -4.371 0.000 -3.311) 5.484 1.967 ( -1.930 0.000 -3.750) 4.218 2.037 ( -2.768 0.000 2.271) 3.580 2.041 ( -0.279 0.000 -0.284) 0.398 2.083 ( -3.254 0.000 -0.366) 3.274 2.115 ( -1.691 0.000 -0.417) 1.742 2.119 ( -1.789 0.000 -1.866) 2.585 2.183 ( 0.083 0.000 0.055) 0.099 2.220 ( -0.637 0.000 0.675) 0.928 2.252 ( -0.433 0.000 1.959) 2.006 2.260 ( 2.882 0.000 -2.676) 3.933 2.328 ( 3.580 0.000 0.267) 3.590 2.329 ( 3.156 0.000 2.505) 4.029 2.372 ( 0.577 0.000 -0.708) 0.913 2.493 ( 3.181 0.000 4.990) 5.917 2.551 ( -4.857 0.000 3.947) 6.258 2.598 ( -5.058 0.000 -2.537) 5.659 2.600 ( -2.164 0.000 -1.858) 2.852 2.707 ( 3.867 0.000 -4.663) 6.058 2.730 ( 2.438 0.000 0.604) 2.512 2.735 ( -3.121 0.000 -2.230) 3.836 2.792 ( 4.005 0.000 6.826) 7.914 2.868 ( -1.119 0.000 -1.511) 1.880 2.924 ( -0.919 0.000 2.103) 2.295 3.011 ( 1.110 0.000 -2.686) 2.906 3.019 ( 2.987 0.000 6.341) 7.009 3.028 ( 3.685 0.000 -2.975) 4.736 3.108 ( -3.035 0.000 -2.150) 3.720 3.129 ( 1.984 0.000 -0.106) 1.987 3.202 ( -2.441 0.000 0.602) 2.514 3.205 ( 0.547 0.000 0.155) 0.568 3.257 ( 3.074 0.000 3.106) 4.369 3.286 ( -0.528 0.000 -3.395) 3.436 3.364 ( 2.680 0.000 -2.461) 3.638 3.428 ( 1.663 0.000 -0.544) 1.749 3.432 ( 4.881 0.000 5.983) 7.722 3.459 ( -0.909 0.000 1.111) 1.435 3.584 ( -5.997 0.000 -2.018) 6.327 3.616 ( -1.060 0.000 -1.458) 1.803 3.635 ( -0.145 0.000 1.830) 1.835 3.660 ( 0.820 0.000 -0.479) 0.950 3.728 ( -2.029 0.000 -1.035) 2.278 3.825 ( 1.804 0.000 -1.340) 2.247 3.850 ( -0.513 0.000 -6.027) 6.048 4.118 ( -0.207 0.000 -1.760) 1.773 4.126 ( 0.513 0.000 -0.581) 0.775 4.251 ( 5.650 0.000 1.740) 5.912 4.296 ( -0.179 0.000 -1.678) 1.688 4.544 ( 1.252 0.000 2.462) 2.762 4.548 ( -0.897 0.000 1.851) 2.058 4.601 ( -0.613 0.000 0.290) 0.678 4.661 ( 1.094 0.000 -1.173) 1.604 4.704 ( -0.902 0.000 1.009) 1.354 4.796 ( -3.663 0.000 -3.412) 5.006 4.804 ( -2.374 0.000 1.243) 2.680 4.931 ( 1.446 0.000 -1.357) 1.983 4.962 ( -1.643 0.000 4.229) 4.537 5.037 ( 0.527 0.000 0.966) 1.100 5.056 ( 0.459 0.000 0.342) 0.572 5.123 ( -0.275 0.000 1.452) 1.477 5.127 ( 0.456 0.000 0.026) 0.457 5.264 ( 1.334 0.000 -1.639) 2.114 5.479 ( -0.784 0.000 1.326) 1.540 5.535 ( -0.207 0.000 0.457) 0.502 5.723 ( -0.628 0.000 2.646) 2.720 5.837 ( -0.000 0.000 -0.818) 0.818 6.036 ( 0.340 0.000 1.358) 1.400 6.089 ( 0.086 0.000 -0.429) 0.438 6.135 ( -0.283 0.000 -0.348) 0.449 6.140 ( 0.850 0.000 -0.155) 0.864 9.092 ( 0.531 0.000 0.578) 0.785 9.105 ( 0.127 0.000 -0.028) 0.130 9.254 ( -0.853 0.000 -0.644) 1.069 9.262 ( 0.781 0.000 -0.221) 0.812 9.316 ( 0.825 0.000 1.040) 1.327 9.324 ( 2.823 0.000 2.248) 3.609 9.351 ( -1.531 0.000 -0.923) 1.787 9.458 ( 1.019 0.000 -2.031) 2.272 9.709 ( 0.251 0.000 0.832) 0.869 9.722 ( -0.868 0.000 -0.374) 0.945 9.746 ( 1.306 0.000 1.868) 2.279 9.778 ( -1.827 0.000 -0.992) 2.079 9.871 ( 1.870 0.000 0.658) 1.982 9.882 ( 0.862 0.000 -0.184) 0.881 9.958 ( -1.399 0.000 -0.924) 1.677 9.966 ( -2.172 0.000 -1.548) 2.668 10.077 ( -1.248 0.000 -0.309) 1.286 10.084 ( 1.622 0.000 0.888) 1.849 10.109 ( 2.531 0.000 1.087) 2.754 10.126 ( -1.769 0.000 -1.513) 2.328 10.179 ( 3.623 0.000 3.221) 4.848 10.247 ( -1.148 0.000 -1.120) 1.604 10.313 ( 1.121 0.000 0.352) 1.175 10.317 ( -3.787 0.000 -1.683) 4.144 10.443 ( 1.627 0.000 1.094) 1.961 10.455 ( -1.983 0.000 -0.512) 2.048 10.490 ( 2.093 0.000 0.741) 2.220 10.495 ( 0.925 0.000 2.720) 2.873 10.544 ( -0.238 0.000 -1.689) 1.706 10.592 ( 5.334 0.000 6.049) 8.065 10.636 ( -4.509 0.000 -2.610) 5.210 11.198 ( 1.348 0.000 -16.710) 16.764 11.268 ( -0.614 0.000 1.120) 1.277 11.295 ( -0.288 0.000 0.300) 0.416 11.382 ( -0.445 0.000 0.341) 0.561 11.404 ( 0.683 0.000 -0.491) 0.841 11.501 ( 1.188 0.000 0.851) 1.462 11.522 ( 0.334 0.000 1.863) 1.893 11.577 ( -0.881 0.000 -0.202) 0.904 11.583 ( -1.274 0.000 -0.360) 1.324 11.678 ( 2.175 0.000 0.202) 2.184 11.703 ( -0.608 0.000 -1.721) 1.826 11.756 ( 1.160 0.000 0.890) 1.462 11.814 ( -1.582 0.000 -3.258) 3.622 11.898 ( -0.328 0.000 1.203) 1.247 11.944 ( -0.157 0.000 1.097) 1.108 11.952 ( 0.496 0.000 1.015) 1.130 11.989 ( -0.309 0.000 -0.399) 0.505 ======================= Grid point 29 (14/39) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( -12.814 0.000 5.167) 13.817 0.354 ( -19.341 0.000 -1.806) 19.425 0.537 ( -25.536 0.000 1.715) 25.594 0.748 ( -3.006 0.000 -1.082) 3.195 0.827 ( 0.134 0.000 1.119) 1.127 0.943 ( -3.619 0.000 -3.322) 4.912 0.961 ( 1.544 0.000 0.801) 1.740 0.982 ( -9.924 0.000 -4.624) 10.948 1.024 ( 0.820 0.000 -0.929) 1.239 1.053 ( -3.132 0.000 -0.055) 3.133 1.094 ( -0.095 0.000 -3.246) 3.247 1.142 ( -0.916 0.000 -1.639) 1.877 1.186 ( 2.317 0.000 -2.638) 3.511 1.221 ( -0.425 0.000 -1.297) 1.365 1.319 ( -7.041 0.000 -4.208) 8.202 1.328 ( -3.172 0.000 -1.670) 3.585 1.377 ( 0.288 0.000 -0.175) 0.337 1.531 ( -2.066 0.000 -1.576) 2.599 1.552 ( 3.160 0.000 -0.251) 3.170 1.584 ( 10.172 0.000 5.768) 11.694 1.694 ( 10.284 0.000 5.936) 11.875 1.700 ( 8.496 0.000 6.979) 10.995 1.741 ( 4.686 0.000 3.856) 6.068 1.776 ( 1.594 0.000 -9.814) 9.943 1.854 ( 8.763 0.000 3.472) 9.426 1.877 ( 3.924 0.000 3.231) 5.083 1.914 ( 1.787 0.000 4.415) 4.763 1.958 ( -2.104 0.000 -2.270) 3.095 1.980 ( -1.932 0.000 1.282) 2.318 1.988 ( 5.189 0.000 5.832) 7.806 2.044 ( -1.666 0.000 0.289) 1.691 2.070 ( -1.825 0.000 -0.342) 1.856 2.130 ( -1.228 0.000 2.438) 2.730 2.185 ( -5.009 0.000 -4.887) 6.998 2.213 ( -2.626 0.000 -0.923) 2.784 2.237 ( -2.462 0.000 -0.128) 2.466 2.285 ( 0.407 0.000 1.500) 1.554 2.332 ( 2.814 0.000 -0.467) 2.852 2.340 ( -4.201 0.000 0.760) 4.269 2.385 ( 0.562 0.000 -1.607) 1.703 2.427 ( -5.202 0.000 -4.767) 7.056 2.450 ( -3.036 0.000 1.040) 3.209 2.517 ( -0.035 0.000 -2.461) 2.462 2.545 ( -2.458 0.000 2.588) 3.569 2.616 ( -5.388 0.000 -4.643) 7.113 2.728 ( -1.567 0.000 -1.214) 1.982 2.737 ( -0.317 0.000 -0.855) 0.912 2.771 ( -4.756 0.000 3.618) 5.976 2.797 ( -1.803 0.000 -0.377) 1.842 2.951 ( -2.126 0.000 -2.526) 3.302 2.969 ( 0.089 0.000 -4.022) 4.023 3.024 ( -0.572 0.000 1.716) 1.809 3.087 ( 2.614 0.000 -0.419) 2.648 3.121 ( 1.190 0.000 6.018) 6.135 3.170 ( 1.768 0.000 -2.329) 2.925 3.188 ( 3.239 0.000 -2.374) 4.016 3.234 ( 0.360 0.000 2.626) 2.650 3.278 ( -0.899 0.000 -2.344) 2.510 3.292 ( 2.958 0.000 -0.931) 3.101 3.389 ( 0.386 0.000 -1.735) 1.778 3.421 ( -2.316 0.000 0.260) 2.331 3.470 ( 3.883 0.000 0.314) 3.895 3.488 ( -1.914 0.000 2.185) 2.904 3.554 ( 0.264 0.000 0.005) 0.264 3.634 ( 3.961 0.000 4.744) 6.180 3.702 ( -0.318 0.000 1.088) 1.134 3.714 ( 6.156 0.000 1.842) 6.426 3.769 ( 1.022 0.000 -1.886) 2.145 3.812 ( 3.146 0.000 -1.034) 3.312 3.854 ( 1.454 0.000 -0.508) 1.540 4.114 ( 0.761 0.000 -0.608) 0.974 4.158 ( 2.753 0.000 -0.027) 2.754 4.246 ( 0.508 0.000 -1.776) 1.847 4.314 ( -0.004 0.000 -1.119) 1.119 4.549 ( -2.057 0.000 -0.516) 2.121 4.571 ( -0.634 0.000 2.118) 2.211 4.616 ( -0.484 0.000 -3.157) 3.194 4.637 ( 0.716 0.000 0.584) 0.924 4.724 ( -1.018 0.000 -0.418) 1.101 4.753 ( 2.578 0.000 4.022) 4.778 4.804 ( 0.351 0.000 1.875) 1.908 4.930 ( -4.461 0.000 1.656) 4.759 4.986 ( 3.124 0.000 0.403) 3.150 5.035 ( -0.833 0.000 -0.094) 0.838 5.056 ( 0.967 0.000 0.622) 1.150 5.122 ( -0.686 0.000 -0.061) 0.689 5.129 ( -0.635 0.000 1.446) 1.579 5.251 ( -0.029 0.000 -2.389) 2.389 5.480 ( -0.553 0.000 1.144) 1.270 5.569 ( 2.817 0.000 3.681) 4.635 5.755 ( 0.919 0.000 4.047) 4.150 5.830 ( 0.170 0.000 -1.088) 1.101 6.052 ( -0.121 0.000 0.972) 0.980 6.055 ( -1.499 0.000 -0.874) 1.735 6.160 ( 1.765 0.000 0.231) 1.780 6.163 ( 1.341 0.000 0.077) 1.344 9.113 ( 0.797 0.000 0.569) 0.979 9.115 ( 0.746 0.000 0.181) 0.767 9.235 ( -0.484 0.000 -0.303) 0.571 9.272 ( 0.284 0.000 -0.444) 0.527 9.295 ( -1.898 0.000 -0.580) 1.985 9.330 ( -0.483 0.000 0.422) 0.641 9.383 ( -5.367 0.000 -11.892) 13.047 9.383 ( 0.876 0.000 1.241) 1.519 9.707 ( -0.245 0.000 0.756) 0.795 9.718 ( -0.151 0.000 0.294) 0.331 9.732 ( -1.444 0.000 -0.553) 1.546 9.778 ( 0.037 0.000 0.551) 0.552 9.857 ( -0.587 0.000 -1.031) 1.186 9.872 ( -0.027 0.000 -0.371) 0.372 10.006 ( 3.876 0.000 2.427) 4.573 10.006 ( 1.970 0.000 1.447) 2.444 10.059 ( 0.796 0.000 0.323) 0.859 10.070 ( -1.584 0.000 -1.645) 2.283 10.115 ( 0.693 0.000 0.170) 0.714 10.148 ( -4.663 0.000 -3.489) 5.824 10.160 ( 1.402 0.000 0.334) 1.441 10.209 ( -2.372 0.000 -0.658) 2.462 10.312 ( 3.505 0.000 2.834) 4.508 10.389 ( 3.206 0.000 1.610) 3.587 10.399 ( -2.350 0.000 -0.517) 2.406 10.472 ( 0.401 0.000 0.170) 0.436 10.473 ( -5.576 0.000 -2.565) 6.138 10.504 ( -1.038 0.000 -2.329) 2.550 10.533 ( -0.343 0.000 2.084) 2.113 10.544 ( 0.533 0.000 -0.750) 0.920 10.738 ( 0.965 0.000 5.853) 5.932 10.774 ( -19.063 0.000 -36.408) 41.097 11.298 ( -0.015 0.000 0.656) 0.656 11.328 ( 2.572 0.000 2.921) 3.892 11.377 ( -0.638 0.000 0.741) 0.978 11.416 ( 0.989 0.000 -0.397) 1.066 11.513 ( -0.910 0.000 -0.417) 1.001 11.526 ( 0.951 0.000 -0.257) 0.985 11.584 ( 0.619 0.000 0.987) 1.165 11.641 ( 4.325 0.000 3.929) 5.843 11.669 ( -0.207 0.000 -1.551) 1.564 11.707 ( 0.894 0.000 -0.159) 0.908 11.756 ( -1.640 0.000 -1.202) 2.034 11.798 ( 2.048 0.000 0.857) 2.220 11.886 ( -2.070 0.000 0.460) 2.120 11.943 ( 0.003 0.000 -0.493) 0.493 11.985 ( 0.275 0.000 -0.356) 0.450 11.991 ( 1.752 0.000 2.818) 3.318 ======================= Grid point 30 (15/39) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( -0.332 7.076 8.908) 11.381 0.470 ( 3.311 8.549 13.990) 16.726 0.629 ( 9.060 9.647 15.104) 20.082 0.745 ( 1.776 1.345 1.552) 2.715 0.789 ( 2.223 -3.521 2.209) 4.713 0.843 ( 3.122 -2.669 -0.400) 4.127 0.870 ( 0.267 -1.259 -2.012) 2.388 0.957 ( -0.677 -2.071 -0.021) 2.178 1.039 ( 4.816 -0.246 1.955) 5.203 1.052 ( 0.773 0.337 0.467) 0.964 1.126 ( 0.018 0.223 -0.213) 0.309 1.135 ( 3.556 -1.996 -0.450) 4.102 1.173 ( 0.746 -1.074 -1.202) 1.777 1.208 ( 2.318 -2.775 -1.458) 3.899 1.301 ( 3.319 1.328 1.973) 4.083 1.314 ( 2.810 0.964 3.875) 4.883 1.382 ( 2.038 0.303 1.230) 2.399 1.478 ( 1.904 -3.849 1.986) 4.731 1.594 ( -0.742 1.219 -2.846) 3.184 1.668 ( -11.615 -0.224 -6.419) 13.273 1.681 ( -5.063 -1.821 -4.856) 7.248 1.689 ( -7.311 -1.249 -3.223) 8.087 1.734 ( -4.546 1.552 -4.347) 6.478 1.765 ( -2.712 1.029 -7.205) 7.767 1.856 ( -7.806 -0.424 -3.764) 8.677 1.874 ( -2.235 -1.245 -2.076) 3.295 1.922 ( -4.745 1.101 -3.020) 5.731 1.942 ( -1.040 -0.416 -2.377) 2.628 1.964 ( -0.247 -0.270 1.061) 1.122 2.007 ( 3.398 0.674 3.684) 5.057 2.034 ( 1.673 -1.689 2.612) 3.532 2.087 ( 0.248 -0.394 0.965) 1.071 2.123 ( -0.905 0.451 3.507) 3.650 2.154 ( 3.282 -1.135 2.436) 4.242 2.199 ( 1.885 -0.182 1.583) 2.468 2.220 ( 4.033 -0.645 2.225) 4.651 2.253 ( -2.214 -0.350 2.272) 3.191 2.314 ( 1.716 0.906 -1.398) 2.391 2.338 ( -2.364 1.236 0.216) 2.676 2.370 ( 0.421 -0.664 -1.906) 2.062 2.469 ( 3.599 0.408 2.176) 4.225 2.520 ( 4.751 1.156 1.522) 5.121 2.553 ( 0.236 3.027 5.897) 6.633 2.586 ( 1.685 0.858 3.791) 4.236 2.627 ( 2.277 1.917 3.862) 4.876 2.736 ( -0.591 0.948 1.121) 1.583 2.747 ( 0.100 3.426 1.902) 3.920 2.776 ( 1.520 -1.436 2.820) 3.511 2.855 ( 2.203 2.651 1.631) 3.813 2.907 ( 1.813 1.621 -1.284) 2.751 2.987 ( 2.752 0.207 -0.426) 2.792 3.015 ( -1.233 1.654 -2.750) 3.438 3.077 ( -1.783 -1.563 -1.411) 2.759 3.120 ( 1.148 -5.280 -2.615) 6.003 3.143 ( 0.310 -2.841 2.794) 3.996 3.187 ( -0.169 1.266 -0.902) 1.563 3.226 ( -2.048 -0.989 -2.620) 3.469 3.292 ( 0.581 -2.535 -2.758) 3.791 3.306 ( 1.436 2.773 -2.391) 3.933 3.392 ( 0.088 -1.325 2.320) 2.673 3.423 ( 1.256 0.075 1.313) 1.818 3.463 ( -1.064 -0.932 0.149) 1.422 3.521 ( -0.848 2.659 1.127) 3.010 3.575 ( 0.618 -1.280 -0.577) 1.534 3.591 ( -2.057 -0.740 -0.201) 2.196 3.673 ( -1.930 0.514 -3.786) 4.280 3.739 ( -2.133 -1.104 -1.101) 2.642 3.775 ( -2.770 -1.517 -0.990) 3.309 3.842 ( 1.870 0.011 -1.720) 2.540 3.851 ( 0.435 -0.501 -1.156) 1.332 4.116 ( 0.160 -0.980 0.761) 1.251 4.160 ( -0.201 -2.294 -0.080) 2.304 4.303 ( 2.486 1.536 0.716) 3.009 4.343 ( 2.035 1.186 0.333) 2.379 4.498 ( -2.686 0.432 -2.843) 3.935 4.535 ( -1.004 -1.003 -2.825) 3.161 4.594 ( 0.618 0.569 1.855) 2.036 4.650 ( 1.347 -0.835 2.065) 2.603 4.714 ( -0.495 -0.447 -0.012) 0.667 4.802 ( -2.518 2.491 -0.150) 3.545 4.820 ( -0.950 -0.899 -0.815) 1.541 4.936 ( -0.692 0.950 2.299) 2.582 4.991 ( -1.544 -0.622 -0.938) 1.910 5.038 ( 1.416 1.852 0.917) 2.505 5.068 ( 0.225 0.072 -0.905) 0.936 5.094 ( -0.656 0.329 1.097) 1.320 5.146 ( -0.069 1.229 1.752) 2.141 5.242 ( 1.849 -0.814 -0.652) 2.123 5.485 ( -0.352 0.515 0.504) 0.802 5.529 ( -2.854 -1.512 0.625) 3.290 5.732 ( -1.860 1.167 0.452) 2.242 5.845 ( -1.373 0.391 -4.080) 4.323 6.057 ( 0.470 1.171 0.211) 1.279 6.060 ( -0.867 1.270 0.085) 1.540 6.169 ( 0.219 -0.727 -0.160) 0.776 6.171 ( -0.434 -0.614 -0.147) 0.766 9.125 ( -0.331 0.001 0.527) 0.623 9.127 ( 0.283 -0.068 0.473) 0.555 9.240 ( 0.493 0.545 0.316) 0.800 9.266 ( 0.618 -0.077 -0.441) 0.764 9.290 ( 0.960 -0.148 1.019) 1.408 9.327 ( -0.709 0.482 -0.133) 0.868 9.359 ( 10.544 -3.889 3.742) 11.845 9.385 ( -0.965 -0.750 0.395) 1.284 9.704 ( 0.176 -0.058 0.398) 0.439 9.713 ( -0.200 0.180 -0.096) 0.285 9.736 ( 0.450 0.141 0.021) 0.472 9.763 ( -1.166 -0.765 -0.451) 1.466 9.867 ( 1.606 0.106 0.887) 1.837 9.878 ( 1.283 -0.251 0.777) 1.521 10.005 ( -4.134 0.199 -2.946) 5.081 10.017 ( -2.905 0.319 -2.014) 3.549 10.066 ( -0.409 -0.064 0.270) 0.494 10.094 ( 1.741 -0.520 1.461) 2.331 10.112 ( 0.267 0.400 -0.491) 0.687 10.151 ( 0.667 -0.775 -0.347) 1.080 10.187 ( 4.023 0.379 2.449) 4.725 10.219 ( 1.872 -0.110 2.439) 3.076 10.330 ( -5.411 0.523 -2.160) 5.850 10.371 ( 2.455 -1.148 0.611) 2.778 10.386 ( 1.922 -0.553 0.000) 2.000 10.404 ( 3.076 -0.586 0.265) 3.143 10.439 ( 4.602 0.467 2.041) 5.056 10.478 ( -0.279 0.330 -0.373) 0.571 10.491 ( 1.798 -0.352 -0.705) 1.963 10.533 ( -0.566 -0.382 -1.817) 1.941 10.596 ( 7.271 -0.954 3.699) 8.214 10.702 ( -4.543 -2.173 -0.198) 5.040 11.295 ( -0.685 -0.259 1.965) 2.098 11.334 ( -0.547 -1.302 1.751) 2.250 11.411 ( 0.336 0.683 -0.626) 0.985 11.433 ( -0.175 0.340 -1.222) 1.280 11.515 ( 0.920 0.514 0.554) 1.190 11.549 ( 1.302 -0.306 1.107) 1.737 11.590 ( -1.373 1.417 -2.060) 2.852 11.662 ( -2.473 -1.819 -0.956) 3.216 11.701 ( 1.628 0.696 1.032) 2.050 11.730 ( -0.129 0.416 0.201) 0.480 11.758 ( 3.267 0.244 1.477) 3.594 11.827 ( -0.860 -0.949 0.179) 1.293 11.882 ( 0.455 2.270 -1.856) 2.968 11.933 ( -0.273 -0.074 -1.137) 1.172 11.972 ( -2.597 -1.721 0.299) 3.129 11.979 ( 0.253 -0.982 -0.230) 1.039 ======================= Grid point 31 (16/39) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 8.280 4.768 7.928) 12.415 0.640 ( 4.157 7.581 9.951) 13.182 0.755 ( 0.799 -1.200 -2.510) 2.895 0.786 ( 0.907 -3.068 -0.700) 3.274 0.841 ( 2.486 -1.370 -0.145) 2.843 0.963 ( 3.418 0.578 0.419) 3.492 0.970 ( -0.002 -1.927 -1.194) 2.267 1.004 ( 3.496 -0.796 -1.750) 3.990 1.080 ( -3.627 -0.400 -3.243) 4.882 1.090 ( 0.248 3.182 -1.355) 3.467 1.149 ( -9.234 1.457 -8.339) 12.527 1.155 ( -3.793 0.303 -4.837) 6.154 1.195 ( 1.604 -2.317 -1.016) 2.996 1.253 ( -2.049 1.757 1.760) 3.223 1.295 ( -8.242 -1.634 -6.574) 10.668 1.363 ( 5.158 2.041 5.907) 8.103 1.372 ( 2.497 1.781 2.621) 4.035 1.419 ( 3.333 -1.700 3.029) 4.814 1.463 ( 3.093 -2.009 2.864) 4.669 1.536 ( 0.966 0.496 1.694) 2.012 1.539 ( -6.065 -0.198 -0.762) 6.115 1.570 ( 2.173 -3.079 0.115) 3.770 1.670 ( 2.710 1.894 -0.597) 3.360 1.771 ( 5.114 0.383 2.767) 5.827 1.804 ( 3.736 -0.713 2.705) 4.668 1.821 ( 2.899 -0.876 0.702) 3.109 1.911 ( 3.674 -0.009 1.534) 3.981 1.975 ( -0.992 -0.186 2.909) 3.079 2.001 ( 3.600 -1.393 -0.983) 3.984 2.058 ( -0.021 0.773 0.306) 0.832 2.085 ( 1.724 -1.189 0.207) 2.105 2.121 ( -0.305 1.802 1.470) 2.345 2.139 ( 2.043 -1.463 2.354) 3.443 2.189 ( -0.922 0.190 -0.103) 0.947 2.210 ( -1.594 0.389 0.622) 1.755 2.222 ( 0.039 1.009 0.807) 1.293 2.269 ( -2.044 0.302 -1.051) 2.318 2.312 ( 0.353 -1.065 -1.139) 1.598 2.344 ( 2.256 0.363 -2.584) 3.449 2.359 ( 0.357 -0.961 1.065) 1.478 2.471 ( -5.689 4.198 -1.693) 7.270 2.575 ( -2.491 1.138 -1.936) 3.354 2.600 ( 1.727 1.098 2.803) 3.470 2.634 ( 0.085 -1.497 3.792) 4.078 2.710 ( -2.802 -1.160 -1.515) 3.390 2.729 ( -3.782 -0.955 -0.969) 4.019 2.784 ( 3.868 -0.211 1.915) 4.322 2.810 ( -0.743 2.910 2.274) 3.767 2.910 ( 2.219 2.917 0.895) 3.773 2.924 ( -1.217 0.920 0.590) 1.636 2.979 ( -2.637 0.444 -3.675) 4.545 2.992 ( 1.602 1.253 -1.921) 2.798 3.034 ( 1.031 2.938 -3.210) 4.473 3.093 ( -2.628 -2.426 -3.164) 4.775 3.127 ( 1.588 -1.205 1.583) 2.546 3.161 ( -2.626 -0.861 0.058) 2.764 3.250 ( 1.576 -2.321 0.803) 2.918 3.268 ( 0.051 -2.048 -0.800) 2.199 3.327 ( -3.177 -2.551 -3.413) 5.314 3.359 ( 3.269 1.627 -0.663) 3.711 3.425 ( -4.749 1.045 1.887) 5.216 3.486 ( -1.719 0.318 0.001) 1.748 3.503 ( 0.444 -3.074 -0.560) 3.156 3.557 ( 0.183 0.410 4.379) 4.402 3.563 ( -4.821 -1.517 -2.653) 5.708 3.620 ( 0.953 2.242 -0.328) 2.458 3.665 ( 4.529 1.032 3.172) 5.625 3.755 ( -0.528 -1.313 -0.079) 1.417 3.832 ( 0.176 -0.022 -1.685) 1.695 3.877 ( 2.963 -1.280 -1.087) 3.406 4.125 ( -0.147 -1.786 0.520) 1.865 4.135 ( -1.595 -1.608 0.336) 2.290 4.310 ( -4.541 -0.121 -1.696) 4.848 4.320 ( -3.338 -0.219 -1.893) 3.843 4.460 ( 2.856 1.332 0.526) 3.195 4.545 ( 3.352 -0.257 -0.794) 3.454 4.622 ( -1.277 0.982 1.691) 2.336 4.666 ( -0.500 -0.128 -0.771) 0.928 4.725 ( -1.144 1.501 -0.129) 1.892 4.773 ( 3.558 -1.955 2.273) 4.653 4.828 ( -0.255 -0.879 3.685) 3.797 4.914 ( -1.865 -2.035 0.019) 2.760 4.975 ( -0.393 2.555 -0.093) 2.586 5.050 ( -0.771 1.611 -0.738) 1.932 5.066 ( -0.584 1.287 0.090) 1.416 5.099 ( 0.488 -0.093 -0.453) 0.672 5.154 ( -0.885 2.147 0.896) 2.490 5.260 ( 0.566 -0.636 -1.392) 1.632 5.481 ( -0.733 0.288 1.060) 1.321 5.513 ( 0.319 -0.431 0.494) 0.729 5.715 ( -0.450 1.440 0.861) 1.738 5.814 ( 0.941 -0.663 -1.234) 1.687 6.043 ( -0.687 1.677 -0.088) 1.814 6.090 ( 1.644 0.770 0.232) 1.831 6.145 ( -1.597 -0.796 -0.010) 1.784 6.159 ( -1.038 -0.647 -0.024) 1.224 9.108 ( -1.532 0.192 0.170) 1.554 9.123 ( -1.026 -0.169 0.442) 1.130 9.257 ( 0.857 0.449 0.229) 0.994 9.266 ( 0.128 0.168 -0.530) 0.571 9.306 ( -0.920 0.086 -0.704) 1.162 9.334 ( -1.838 0.567 -0.975) 2.156 9.344 ( 0.481 -0.393 0.544) 0.826 9.456 ( 0.849 -2.039 -0.957) 2.407 9.701 ( -0.276 0.549 -0.339) 0.702 9.723 ( 0.353 0.208 0.212) 0.462 9.728 ( -0.818 0.198 -0.712) 1.103 9.764 ( 1.930 -0.443 0.842) 2.152 9.885 ( -2.508 0.132 -1.439) 2.895 9.897 ( -1.943 -0.102 -1.106) 2.238 9.957 ( 2.128 -0.351 1.611) 2.692 9.969 ( 2.735 -0.365 2.038) 3.430 10.082 ( 0.517 0.462 0.828) 1.080 10.094 ( -1.127 0.505 -0.757) 1.449 10.120 ( -1.330 -0.350 -0.650) 1.521 10.129 ( -0.288 -0.607 0.049) 0.674 10.191 ( -4.167 1.549 -2.101) 4.917 10.259 ( -0.560 -0.091 0.239) 0.615 10.313 ( 2.949 -0.061 2.822) 4.083 10.323 ( 0.057 -0.557 0.527) 0.769 10.432 ( 1.987 0.121 0.507) 2.054 10.437 ( 0.335 0.516 -2.044) 2.134 10.452 ( -1.772 0.261 -0.750) 1.942 10.479 ( -1.766 -0.336 -3.009) 3.505 10.521 ( 0.055 -0.542 -1.117) 1.243 10.528 ( 1.573 -1.304 -0.750) 2.176 10.636 ( 2.483 1.248 0.688) 2.863 10.944 ( 16.631 -8.875 -1.864) 18.943 11.301 ( -0.608 -0.212 1.570) 1.697 11.338 ( -0.769 -1.778 0.983) 2.172 11.403 ( -0.595 0.659 -1.273) 1.552 11.412 ( -0.283 0.625 -0.035) 0.687 11.528 ( -2.041 0.453 -0.582) 2.170 11.561 ( 1.218 0.423 -0.133) 1.296 11.564 ( -2.537 -0.820 0.985) 2.842 11.609 ( 0.411 0.228 0.572) 0.740 11.701 ( -1.827 0.413 -0.669) 1.989 11.732 ( -0.508 0.111 0.236) 0.571 11.771 ( -1.796 1.061 -1.293) 2.455 11.853 ( 3.014 -0.917 1.698) 3.578 11.887 ( 0.596 0.703 0.013) 0.922 11.909 ( -0.292 -0.028 -1.837) 1.860 11.934 ( -1.687 -0.631 0.822) 1.980 11.984 ( 0.325 -1.077 0.122) 1.132 ======================= Grid point 32 (17/39) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 3.533 -0.805 -1.040) 3.770 0.750 ( 1.051 0.868 -4.452) 4.656 0.777 ( 3.053 1.216 2.878) 4.368 0.787 ( -1.159 2.141 -2.304) 3.352 0.839 ( 3.076 0.396 1.592) 3.486 0.875 ( 1.875 1.919 0.857) 2.816 0.922 ( -2.607 1.932 -0.980) 3.389 0.958 ( -4.512 2.820 0.765) 5.376 0.996 ( -1.625 3.348 -0.341) 3.737 1.064 ( 0.580 0.466 1.412) 1.597 1.092 ( 3.041 -0.629 -0.927) 3.241 1.140 ( 2.817 -3.262 -0.833) 4.390 1.181 ( -0.296 2.487 -0.198) 2.513 1.202 ( 3.740 0.728 -1.012) 3.943 1.260 ( 1.825 0.667 2.186) 2.925 1.298 ( 0.140 -0.758 -0.158) 0.787 1.374 ( -0.177 -4.244 -2.115) 4.745 1.401 ( -5.610 -0.092 -0.028) 5.611 1.443 ( -0.378 -1.676 1.561) 2.321 1.522 ( 1.129 -2.303 1.622) 3.035 1.674 ( -0.870 0.672 1.124) 1.572 1.792 ( -1.602 -1.319 -3.105) 3.734 1.832 ( -1.373 0.624 -1.640) 2.228 1.849 ( 1.177 -0.070 -0.253) 1.206 1.894 ( -1.333 1.655 -0.101) 2.128 1.937 ( 0.812 0.149 1.717) 1.905 1.955 ( 0.769 0.145 0.099) 0.789 2.003 ( -0.313 -1.349 0.119) 1.390 2.022 ( 1.380 -0.669 1.997) 2.518 2.058 ( 1.101 1.302 -1.023) 1.989 2.086 ( 0.997 0.051 -0.038) 0.999 2.111 ( 0.117 -0.704 -1.096) 1.308 2.122 ( 0.585 -0.613 0.599) 1.038 2.155 ( 0.359 0.923 -1.439) 1.747 2.187 ( -0.563 -1.359 -0.687) 1.624 2.227 ( 0.108 1.710 2.125) 2.730 2.245 ( 1.322 -0.685 0.339) 1.527 2.335 ( -1.853 2.004 1.105) 2.945 2.351 ( -3.552 2.457 -1.228) 4.490 2.372 ( 1.325 0.420 -1.472) 2.024 2.407 ( 1.265 -1.275 -0.745) 1.945 2.508 ( -2.698 -2.774 -0.638) 3.922 2.557 ( 3.229 0.006 6.099) 6.901 2.621 ( -0.995 -2.725 0.592) 2.961 2.659 ( 0.679 3.305 2.975) 4.499 2.713 ( -0.519 1.367 -1.257) 1.928 2.768 ( -1.410 1.259 -5.247) 5.577 2.792 ( -0.468 1.921 -0.656) 2.084 2.860 ( -1.593 1.554 0.329) 2.250 2.947 ( -0.909 0.810 0.551) 1.336 2.962 ( -0.489 2.021 1.504) 2.567 2.970 ( 3.205 -0.456 -3.113) 4.491 3.008 ( 1.468 0.935 -2.810) 3.305 3.077 ( 2.055 -2.303 0.242) 3.097 3.137 ( -0.628 -0.967 1.398) 1.812 3.173 ( 1.418 1.097 -0.518) 1.866 3.220 ( -0.975 -4.062 -2.054) 4.655 3.265 ( 0.453 -3.003 -0.880) 3.162 3.316 ( 0.015 -0.013 0.873) 0.873 3.342 ( -4.914 1.928 2.984) 6.064 3.374 ( -3.500 -1.680 -1.527) 4.172 3.444 ( 2.814 2.448 0.136) 3.732 3.484 ( -1.377 0.368 1.378) 1.983 3.545 ( -0.549 -4.614 0.708) 4.700 3.592 ( 2.067 1.311 -1.095) 2.681 3.683 ( -1.057 1.177 1.460) 2.153 3.725 ( -0.818 1.790 0.638) 2.069 3.787 ( 3.084 -1.361 -1.040) 3.528 3.822 ( -0.378 -0.641 -1.500) 1.675 3.892 ( -0.077 -2.671 -3.968) 4.784 4.099 ( -0.246 -1.525 -0.340) 1.581 4.125 ( -1.004 -2.476 -0.611) 2.741 4.217 ( -2.371 0.509 -0.766) 2.543 4.253 ( 0.202 -0.762 0.767) 1.099 4.513 ( 1.569 1.438 0.033) 2.129 4.587 ( -0.230 0.177 1.317) 1.349 4.611 ( -0.364 1.233 0.898) 1.568 4.649 ( 0.298 0.315 -0.808) 0.917 4.724 ( -0.174 1.188 -0.203) 1.218 4.832 ( -0.848 -2.130 0.043) 2.293 4.849 ( -2.338 -1.566 1.838) 3.361 4.897 ( -0.042 -1.994 1.788) 2.678 4.976 ( 0.420 2.705 0.139) 2.741 5.029 ( -0.095 1.256 0.260) 1.286 5.052 ( -0.455 1.215 0.648) 1.450 5.100 ( 1.143 -0.449 -0.645) 1.387 5.142 ( -0.505 2.528 0.464) 2.619 5.249 ( 0.740 -0.563 -1.500) 1.765 5.481 ( -0.622 0.239 1.283) 1.445 5.526 ( 0.351 -0.741 0.070) 0.823 5.726 ( -0.168 1.593 1.618) 2.277 5.830 ( 0.922 -0.988 -0.394) 1.408 6.038 ( -0.159 1.756 0.685) 1.892 6.089 ( -0.595 0.443 -0.035) 0.743 6.138 ( -0.519 -0.451 -0.126) 0.699 6.143 ( 0.009 -0.714 -0.048) 0.715 9.089 ( -0.511 0.282 0.340) 0.676 9.108 ( -0.676 -0.203 0.184) 0.729 9.257 ( -0.053 0.282 -0.986) 1.027 9.268 ( 0.342 0.199 -0.321) 0.510 9.276 ( -0.080 0.219 0.084) 0.248 9.294 ( 0.036 -0.154 0.206) 0.259 9.370 ( 0.475 0.439 -0.305) 0.715 9.449 ( 0.163 -1.061 -0.963) 1.442 9.700 ( 0.335 0.461 0.284) 0.637 9.715 ( 0.353 0.218 0.572) 0.707 9.739 ( 0.254 0.638 -0.063) 0.690 9.793 ( 0.297 -0.689 -0.096) 0.756 9.845 ( -0.261 0.104 -0.102) 0.299 9.864 ( -0.198 -0.418 -0.003) 0.463 10.032 ( -0.509 -0.118 -0.166) 0.549 10.045 ( -0.097 -0.153 0.378) 0.419 10.052 ( -0.187 0.377 0.030) 0.422 10.055 ( -0.996 0.462 -0.766) 1.339 10.092 ( 0.237 0.331 0.319) 0.517 10.106 ( 0.070 0.085 0.478) 0.490 10.159 ( 0.067 0.628 -0.024) 0.632 10.218 ( -0.194 -0.608 -0.018) 0.639 10.358 ( -0.801 0.331 -0.394) 0.952 10.404 ( -1.200 -0.711 -0.897) 1.659 10.412 ( -0.424 0.418 0.092) 0.603 10.421 ( 2.176 0.215 2.330) 3.195 10.445 ( 1.752 -0.130 0.502) 1.827 10.452 ( 1.047 -0.145 -0.070) 1.060 10.495 ( 0.086 -0.004 0.044) 0.097 10.542 ( 0.515 -1.307 -0.814) 1.624 10.715 ( 2.295 2.960 -1.464) 4.021 11.121 ( 6.435 -6.841 -4.617) 10.465 11.304 ( -0.314 -0.124 0.602) 0.690 11.312 ( -2.094 -1.406 -1.228) 2.806 11.388 ( -0.106 0.537 0.231) 0.595 11.411 ( 0.030 0.925 -0.186) 0.944 11.490 ( -1.107 0.105 0.349) 1.166 11.506 ( -1.891 -0.660 0.936) 2.210 11.608 ( 0.430 0.202 0.248) 0.536 11.632 ( 1.060 1.243 0.307) 1.662 11.648 ( -2.188 0.318 -1.164) 2.498 11.702 ( -0.149 -1.288 -0.451) 1.373 11.758 ( -0.000 1.415 -0.275) 1.442 11.867 ( -0.971 -1.000 -2.721) 3.058 11.891 ( 0.126 0.295 0.814) 0.875 11.918 ( 1.001 -0.289 0.700) 1.255 11.929 ( 0.096 -0.351 1.307) 1.357 11.989 ( -0.075 -0.999 0.006) 1.002 ======================= Grid point 33 (18/39) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -10.923 4.036 -2.264) 11.863 0.680 ( -11.414 5.563 1.679) 12.808 0.761 ( 1.230 -1.070 -1.175) 2.010 0.826 ( -2.063 -0.998 -0.788) 2.423 0.863 ( 1.960 -3.529 -0.570) 4.077 0.937 ( 3.783 -0.014 2.224) 4.389 0.979 ( 1.453 -0.055 -0.335) 1.492 1.010 ( 6.156 0.255 -0.272) 6.167 1.093 ( 1.725 -0.021 2.011) 2.649 1.102 ( 3.872 0.555 0.506) 3.945 1.159 ( 0.297 1.576 -0.918) 1.848 1.187 ( 3.229 1.108 2.338) 4.138 1.227 ( -0.265 -1.548 1.507) 2.176 1.255 ( -7.859 0.182 -2.829) 8.355 1.281 ( 1.011 0.626 0.520) 1.298 1.336 ( 5.789 -0.035 2.689) 6.384 1.381 ( -1.598 -0.084 0.138) 1.606 1.394 ( 0.990 0.154 -0.031) 1.003 1.461 ( 3.205 -0.970 1.420) 3.638 1.481 ( -6.788 -2.298 -3.604) 8.022 1.554 ( -2.608 0.939 -0.254) 2.783 1.619 ( -0.387 -1.252 2.023) 2.410 1.715 ( -1.430 2.701 -0.847) 3.171 1.777 ( -0.199 -0.634 -1.220) 1.389 1.791 ( -2.855 -0.401 -3.920) 4.866 1.818 ( -2.373 -0.417 -1.573) 2.877 1.867 ( -4.121 1.465 -3.698) 5.727 1.977 ( -2.245 0.096 -3.270) 3.968 2.021 ( -1.047 -2.019 -0.491) 2.327 2.028 ( -3.446 0.925 0.526) 3.607 2.084 ( -1.215 -0.345 0.515) 1.364 2.103 ( -2.546 -0.661 -1.972) 3.288 2.143 ( -1.172 0.426 0.122) 1.253 2.169 ( 0.837 -0.588 -0.933) 1.385 2.233 ( -0.040 1.545 0.112) 1.550 2.239 ( -0.856 -0.395 0.001) 0.943 2.270 ( 0.622 0.490 0.891) 1.192 2.316 ( 4.262 -0.036 3.264) 5.368 2.350 ( 1.385 0.645 -0.788) 1.719 2.370 ( 0.031 -0.493 -0.843) 0.977 2.479 ( 3.711 -1.034 4.564) 5.973 2.536 ( -1.532 -1.290 0.256) 2.019 2.617 ( -3.472 2.544 -0.678) 4.358 2.649 ( -3.898 3.702 0.623) 5.412 2.696 ( 1.007 -1.816 -0.848) 2.243 2.728 ( 1.069 -0.003 -2.309) 2.544 2.747 ( 3.746 1.856 0.974) 4.292 2.813 ( 1.066 2.706 3.317) 4.412 2.865 ( -1.691 0.302 -0.587) 1.815 2.919 ( -1.505 -0.419 0.467) 1.631 2.996 ( 2.359 -3.353 -2.878) 5.009 3.006 ( 2.416 -0.449 0.442) 2.496 3.047 ( 1.161 1.739 2.124) 2.980 3.113 ( 1.314 0.083 -0.174) 1.328 3.132 ( -0.225 0.768 -1.513) 1.711 3.174 ( -0.021 -2.266 0.026) 2.266 3.234 ( -0.032 0.902 -0.208) 0.926 3.272 ( 4.916 -1.038 -0.948) 5.113 3.277 ( 1.770 0.410 -0.908) 2.031 3.323 ( -0.620 -0.251 1.269) 1.435 3.401 ( 3.647 -1.261 2.996) 4.885 3.449 ( -0.094 -0.197 0.840) 0.868 3.509 ( -0.532 2.093 0.852) 2.322 3.545 ( -2.284 -2.383 -0.320) 3.316 3.576 ( -3.070 -1.452 -0.353) 3.414 3.643 ( 1.105 0.393 -1.362) 1.797 3.673 ( -1.556 -0.405 -2.719) 3.159 3.730 ( -1.127 -0.463 -0.331) 1.262 3.819 ( 2.033 -0.048 -2.828) 3.483 3.846 ( -0.168 -0.376 -2.474) 2.508 4.100 ( -0.090 -1.741 -1.169) 2.099 4.106 ( 0.381 -1.866 -0.212) 1.916 4.258 ( 4.944 0.693 1.728) 5.283 4.299 ( 0.750 0.088 -0.836) 1.127 4.541 ( 0.294 -0.042 1.469) 1.498 4.566 ( -0.944 1.792 1.553) 2.552 4.615 ( -0.035 0.928 0.688) 1.156 4.656 ( 0.427 -0.297 -1.420) 1.512 4.711 ( -0.630 0.360 0.051) 0.727 4.769 ( -2.785 -1.501 -1.848) 3.664 4.809 ( -1.989 -0.167 0.862) 2.174 4.909 ( 0.742 -2.112 0.343) 2.265 4.992 ( -0.577 2.717 2.301) 3.607 5.049 ( 0.579 1.102 0.777) 1.467 5.065 ( 0.259 0.734 0.453) 0.901 5.118 ( 0.115 -0.800 0.087) 0.813 5.146 ( -0.332 2.122 0.713) 2.263 5.258 ( 1.028 -0.749 -1.376) 1.874 5.482 ( -0.597 0.369 1.175) 1.369 5.526 ( -0.330 -0.860 0.275) 0.961 5.738 ( -0.544 1.546 2.149) 2.702 5.834 ( 0.362 -0.539 -0.363) 0.744 6.050 ( 0.305 1.392 1.123) 1.814 6.096 ( 0.514 0.682 -0.180) 0.873 6.127 ( -0.428 -0.749 -0.296) 0.912 6.139 ( 0.726 -0.272 -0.170) 0.794 9.094 ( 0.483 0.181 0.523) 0.734 9.104 ( 0.156 -0.069 0.032) 0.174 9.258 ( -0.595 0.414 -0.571) 0.922 9.264 ( 0.563 0.269 -0.290) 0.688 9.314 ( 1.057 -0.174 1.106) 1.540 9.324 ( 2.668 -0.115 2.146) 3.426 9.351 ( -1.724 0.248 -1.227) 2.130 9.442 ( 0.209 -1.680 -2.199) 2.775 9.714 ( 0.335 0.505 0.813) 1.014 9.728 ( -0.982 0.600 -0.392) 1.215 9.744 ( 1.056 -0.218 1.576) 1.910 9.773 ( -1.619 -0.503 -0.894) 1.916 9.872 ( 1.958 0.135 0.722) 2.091 9.882 ( 1.166 -0.001 0.036) 1.167 9.952 ( -1.472 -0.450 -0.999) 1.836 9.962 ( -2.464 -0.456 -1.773) 3.070 10.081 ( -0.964 0.479 -0.164) 1.089 10.090 ( 1.218 0.518 0.683) 1.489 10.109 ( 2.258 0.015 0.961) 2.454 10.120 ( -1.052 -0.488 -0.912) 1.475 10.193 ( 3.123 1.414 2.718) 4.375 10.248 ( -0.431 0.095 -0.539) 0.697 10.309 ( -0.117 -0.300 -0.200) 0.379 10.316 ( -3.146 -0.137 -1.542) 3.507 10.446 ( 1.321 0.311 0.959) 1.662 10.456 ( -1.554 0.071 -0.255) 1.576 10.487 ( 1.887 -0.275 0.659) 2.018 10.501 ( 1.417 0.571 2.983) 3.351 10.529 ( -0.392 -1.352 -1.474) 2.038 10.581 ( 4.882 -1.184 5.971) 7.803 10.652 ( -5.092 1.956 -3.796) 6.646 11.050 ( -5.508 -12.083 -13.413) 18.874 11.274 ( -0.636 0.691 1.059) 1.416 11.308 ( 0.345 0.259 0.254) 0.500 11.398 ( 0.660 1.131 0.169) 1.321 11.411 ( 0.496 0.622 -0.310) 0.854 11.500 ( 1.246 -0.023 0.730) 1.444 11.514 ( 0.458 -0.525 1.246) 1.428 11.581 ( -1.139 0.476 -0.374) 1.290 11.602 ( -0.351 1.197 -0.461) 1.329 11.679 ( 1.984 0.129 0.117) 1.991 11.702 ( 0.097 -0.262 -1.390) 1.418 11.767 ( 1.291 1.107 0.539) 1.784 11.814 ( -1.306 -0.053 -2.859) 3.143 11.901 ( -0.231 0.304 0.936) 1.011 11.940 ( 0.279 -0.742 1.662) 1.841 11.943 ( 0.147 -0.353 0.298) 0.485 11.981 ( -0.227 -0.829 -0.396) 0.947 ======================= Grid point 34 (19/39) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -9.167 8.598 2.785) 12.873 0.431 ( -15.486 7.374 -2.886) 17.393 0.656 ( -17.280 10.327 2.127) 20.243 0.743 ( -2.142 0.002 -1.485) 2.606 0.804 ( -2.439 -2.500 -0.209) 3.499 0.894 ( -0.743 -4.795 -1.229) 5.005 0.924 ( -0.621 -3.543 0.681) 3.661 0.960 ( -6.332 -1.218 -3.324) 7.255 1.037 ( -3.413 1.081 -3.608) 5.083 1.061 ( -2.214 -0.369 -0.952) 2.439 1.115 ( -1.977 1.405 -2.125) 3.225 1.134 ( -1.454 0.360 -0.813) 1.704 1.164 ( 0.405 -0.947 -1.491) 1.812 1.240 ( 1.563 -0.236 0.201) 1.593 1.302 ( -5.055 -1.286 -4.066) 6.613 1.320 ( -2.739 -0.095 -1.742) 3.247 1.372 ( -0.165 -0.266 0.145) 0.345 1.444 ( -0.308 -4.796 -0.890) 4.887 1.585 ( 9.381 0.281 4.348) 10.344 1.626 ( 2.156 2.944 -0.763) 3.728 1.688 ( 7.643 0.243 5.687) 9.530 1.699 ( 8.135 -0.284 5.770) 9.977 1.730 ( 6.048 -1.212 3.677) 7.181 1.773 ( 1.766 -0.296 -5.059) 5.366 1.844 ( 4.637 -0.015 0.909) 4.725 1.894 ( 4.293 0.650 4.892) 6.541 1.915 ( 3.354 0.240 3.671) 4.978 1.956 ( 0.752 -0.735 1.621) 1.932 1.987 ( -3.530 1.152 -0.823) 3.803 2.000 ( 3.469 1.074 4.838) 6.049 2.036 ( -2.376 -0.667 -0.688) 2.562 2.067 ( -0.233 -0.290 1.398) 1.447 2.123 ( -2.615 -1.056 1.143) 3.043 2.176 ( -2.565 -1.649 -3.287) 4.484 2.208 ( -2.941 0.139 -0.683) 3.023 2.252 ( -3.083 0.489 -0.680) 3.195 2.265 ( 0.726 -0.638 -0.609) 1.142 2.300 ( -4.761 -1.445 1.139) 5.104 2.323 ( 0.722 -0.766 -1.158) 1.565 2.377 ( 0.754 -1.153 0.142) 1.385 2.467 ( -5.080 3.731 -4.350) 7.658 2.515 ( -1.044 4.627 -0.624) 4.784 2.521 ( -1.614 -0.074 -1.740) 2.374 2.557 ( -1.912 1.909 2.425) 3.631 2.639 ( -4.908 1.457 -1.845) 5.442 2.705 ( -0.906 -1.847 -0.845) 2.224 2.764 ( -2.713 2.730 0.288) 3.859 2.791 ( -3.362 1.800 1.757) 4.198 2.812 ( 2.313 1.162 -0.904) 2.742 2.942 ( -0.280 -0.599 -3.714) 3.772 2.980 ( -1.145 -0.265 -2.102) 2.408 3.022 ( 0.969 -0.255 0.677) 1.209 3.073 ( 1.338 -0.486 1.797) 2.293 3.107 ( 0.577 -0.894 0.734) 1.292 3.129 ( -0.373 -3.565 -1.806) 4.014 3.206 ( 0.750 1.662 -0.996) 2.078 3.256 ( 3.093 0.359 -0.009) 3.114 3.282 ( -0.357 -0.450 -1.645) 1.742 3.290 ( 2.894 0.567 -2.102) 3.621 3.371 ( 0.444 -1.195 0.168) 1.286 3.421 ( -2.173 -0.316 -0.620) 2.282 3.472 ( 1.210 -0.355 1.210) 1.748 3.499 ( 1.457 -1.576 0.972) 2.356 3.535 ( 1.564 -0.031 3.303) 3.655 3.603 ( 0.714 -0.440 -0.710) 1.099 3.693 ( 5.625 -1.642 0.125) 5.861 3.727 ( 1.423 0.989 2.073) 2.702 3.748 ( 2.171 -1.235 -0.022) 2.498 3.823 ( 1.876 0.815 -1.370) 2.462 3.856 ( 0.968 0.069 -0.390) 1.046 4.102 ( 0.734 -1.169 -0.079) 1.383 4.136 ( 2.254 -2.109 0.223) 3.095 4.264 ( 1.026 1.597 -2.074) 2.812 4.319 ( 0.783 0.386 -1.199) 1.483 4.555 ( -1.830 0.328 -0.892) 2.062 4.574 ( 0.052 0.223 2.496) 2.507 4.604 ( -1.789 -1.548 -3.081) 3.884 4.637 ( -0.279 0.522 1.473) 1.588 4.708 ( 0.467 -0.567 0.588) 0.941 4.781 ( 2.878 2.221 2.169) 4.233 4.813 ( 0.929 0.374 0.788) 1.274 4.937 ( -0.539 -0.822 1.338) 1.660 4.993 ( 0.266 1.805 0.968) 2.065 5.043 ( -1.171 0.952 -0.588) 1.620 5.062 ( 0.140 0.432 0.523) 0.692 5.108 ( -1.309 -1.285 0.127) 1.838 5.139 ( -0.808 1.175 0.872) 1.671 5.241 ( -0.315 -0.996 -1.982) 2.241 5.484 ( -0.333 0.487 0.744) 0.949 5.537 ( 0.397 -2.050 2.024) 2.907 5.751 ( -0.889 0.782 1.947) 2.278 5.856 ( 2.714 0.277 -0.540) 2.781 6.064 ( -0.143 1.171 0.657) 1.350 6.072 ( -1.165 1.390 -0.224) 1.827 6.151 ( 1.653 -0.802 0.039) 1.837 6.162 ( 1.339 -0.402 0.171) 1.409 9.113 ( 0.750 0.006 0.506) 0.905 9.115 ( 0.695 -0.031 0.162) 0.714 9.239 ( -0.552 0.544 -0.434) 0.888 9.271 ( 0.141 -0.112 -0.476) 0.509 9.293 ( -1.985 -0.218 -0.709) 2.119 9.327 ( -2.208 -0.935 -1.629) 2.899 9.349 ( -4.454 -1.632 -5.717) 7.429 9.378 ( 0.787 -0.575 1.127) 1.490 9.706 ( -0.860 0.207 0.137) 0.895 9.723 ( -0.215 0.415 0.383) 0.604 9.735 ( -0.955 0.000 -0.450) 1.056 9.770 ( 0.057 -0.751 0.603) 0.965 9.859 ( -0.623 0.159 -1.047) 1.229 9.871 ( -0.192 -0.179 -0.505) 0.570 10.002 ( 4.249 0.114 2.415) 4.888 10.015 ( 3.572 0.202 2.180) 4.189 10.060 ( -0.338 0.252 -0.053) 0.425 10.075 ( -0.705 0.308 -1.046) 1.299 10.118 ( 0.297 0.291 -0.120) 0.433 10.141 ( -1.997 -0.488 -1.869) 2.779 10.173 ( -1.207 1.031 -1.133) 1.950 10.209 ( -2.383 -0.049 -0.789) 2.510 10.318 ( 3.355 0.616 2.618) 4.300 10.378 ( 2.725 -1.115 1.439) 3.277 10.401 ( -2.155 0.260 -0.353) 2.199 10.467 ( -2.717 -0.563 -0.989) 2.946 10.478 ( -2.900 0.197 -1.263) 3.169 10.489 ( -2.305 -1.630 -3.275) 4.324 10.540 ( 0.067 0.264 0.470) 0.543 10.548 ( -0.081 1.208 1.141) 1.664 10.629 ( -16.598 -7.494 -14.777) 23.452 10.718 ( 0.387 -2.760 4.174) 5.019 11.285 ( -0.490 0.036 2.071) 2.129 11.322 ( 0.095 -0.483 1.324) 1.413 11.408 ( 0.507 1.015 -0.318) 1.179 11.428 ( 1.483 0.826 -0.613) 1.805 11.511 ( -0.475 -0.014 -0.303) 0.564 11.524 ( 0.935 -0.191 -0.309) 1.004 11.599 ( 1.631 1.125 0.734) 2.113 11.644 ( 3.093 -0.025 2.396) 3.912 11.675 ( -0.020 0.581 -1.616) 1.717 11.702 ( 0.695 -0.172 -0.913) 1.161 11.763 ( -1.438 0.779 -1.138) 1.993 11.813 ( 2.016 0.364 0.369) 2.082 11.895 ( -0.640 1.067 -0.074) 1.246 11.942 ( 0.027 -0.013 -0.420) 0.421 11.969 ( 0.646 -1.509 1.455) 2.193 11.981 ( 0.362 -0.834 0.259) 0.945 ======================= Grid point 35 (20/39) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 1.541 9.005 2.355) 9.434 0.614 ( 2.249 2.368 4.560) 5.609 0.669 ( 1.663 -0.348 4.373) 4.691 0.751 ( 1.708 1.958 -0.136) 2.601 0.779 ( 0.893 -4.423 1.849) 4.877 0.800 ( 3.300 -2.960 2.235) 4.965 0.894 ( 3.918 5.874 7.958) 10.639 0.934 ( 1.397 0.190 1.427) 2.006 1.022 ( 4.647 -0.472 0.315) 4.682 1.049 ( 4.840 -1.551 2.597) 5.707 1.104 ( 1.499 -0.660 0.196) 1.650 1.123 ( -0.793 -1.779 -0.233) 1.961 1.151 ( -0.488 0.430 -1.212) 1.376 1.171 ( -0.111 -1.479 -2.488) 2.897 1.325 ( 3.078 1.503 3.712) 5.051 1.340 ( 3.293 0.691 2.411) 4.139 1.388 ( 1.985 0.615 2.463) 3.223 1.417 ( 2.625 -2.604 3.077) 4.810 1.607 ( -1.421 0.791 -3.717) 4.057 1.635 ( -2.351 -2.343 -3.626) 4.916 1.666 ( -11.913 0.184 -7.396) 14.023 1.675 ( -9.901 -0.657 -5.757) 11.472 1.771 ( -3.110 2.029 -4.546) 5.870 1.787 ( -3.636 0.698 -7.213) 8.108 1.844 ( -4.513 -0.779 -0.063) 4.580 1.847 ( -5.271 -1.056 -1.268) 5.523 1.931 ( -3.772 0.203 -1.571) 4.091 1.938 ( -3.485 -0.457 -1.959) 4.024 1.973 ( 1.444 1.128 0.955) 2.066 1.997 ( 3.265 -1.445 2.975) 4.647 2.028 ( -0.002 0.919 1.846) 2.062 2.058 ( -1.106 -2.176 0.833) 2.579 2.129 ( 1.878 1.260 4.017) 4.610 2.162 ( -0.782 -0.923 2.488) 2.767 2.191 ( 4.672 0.269 1.077) 4.802 2.207 ( 4.194 -0.634 1.891) 4.644 2.253 ( 0.499 1.427 1.792) 2.344 2.298 ( 0.311 -2.846 0.710) 2.949 2.363 ( -1.707 2.390 -0.629) 3.004 2.387 ( -1.929 0.257 -2.070) 2.841 2.474 ( 4.497 0.879 2.402) 5.174 2.504 ( 4.153 -1.976 1.560) 4.857 2.610 ( 0.416 2.958 4.928) 5.763 2.628 ( 1.638 2.214 4.361) 5.157 2.666 ( 0.736 1.622 3.518) 3.943 2.713 ( 1.792 -2.970 4.590) 5.754 2.777 ( -1.401 2.106 -0.170) 2.536 2.802 ( -1.163 0.647 1.961) 2.369 2.900 ( 3.994 2.734 -1.112) 4.966 2.958 ( 5.428 -1.042 -1.599) 5.753 2.983 ( 0.525 2.538 0.555) 2.650 3.024 ( -0.862 -1.581 1.833) 2.569 3.045 ( 0.393 1.435 -3.225) 3.552 3.063 ( -1.176 -1.310 -2.988) 3.468 3.099 ( 2.389 -0.961 0.655) 2.657 3.172 ( 0.203 -5.822 -3.510) 6.801 3.220 ( -0.858 1.643 -2.283) 2.940 3.245 ( -0.884 -1.123 -3.509) 3.789 3.352 ( 0.368 1.645 -0.631) 1.799 3.362 ( 0.359 -1.130 2.550) 2.812 3.400 ( -0.403 -0.199 2.185) 2.231 3.443 ( -0.701 -3.189 3.120) 4.516 3.545 ( 1.617 1.315 -2.204) 3.034 3.561 ( 0.381 0.748 0.549) 1.003 3.638 ( -0.425 3.226 -1.779) 3.709 3.681 ( 1.790 -0.171 -3.035) 3.528 3.716 ( -4.731 -1.065 -1.884) 5.202 3.735 ( -6.396 -2.243 -2.678) 7.287 3.844 ( 1.808 0.141 -0.939) 2.042 3.847 ( 1.937 -0.082 -0.840) 2.113 4.101 ( -0.345 -0.213 1.408) 1.465 4.117 ( -0.344 -1.954 1.077) 2.258 4.333 ( 2.423 1.644 0.108) 2.930 4.353 ( 2.095 -0.279 -0.004) 2.113 4.504 ( -2.412 0.336 -2.965) 3.837 4.515 ( -1.446 -0.978 -2.855) 3.346 4.607 ( 0.771 1.009 2.266) 2.598 4.629 ( 1.016 -1.323 2.406) 2.928 4.737 ( -0.950 2.370 -0.850) 2.691 4.784 ( -1.230 -2.593 -1.665) 3.318 4.856 ( -1.987 3.178 -0.020) 3.748 4.911 ( -1.658 -2.698 -0.212) 3.174 5.018 ( 0.140 2.198 -0.014) 2.202 5.050 ( 0.828 -1.204 -0.662) 1.604 5.076 ( 0.835 1.458 1.758) 2.432 5.095 ( 0.148 -0.466 1.975) 2.035 5.178 ( 0.686 2.201 1.442) 2.719 5.217 ( 1.359 -1.902 0.444) 2.380 5.496 ( -0.436 0.683 0.308) 0.867 5.509 ( -1.028 -0.796 0.521) 1.400 5.768 ( -0.952 2.686 -0.858) 2.976 5.820 ( -0.791 -2.593 -2.593) 3.752 6.079 ( 0.042 1.027 0.274) 1.064 6.082 ( -0.504 0.811 0.154) 0.968 6.155 ( 0.106 -0.550 -0.162) 0.583 6.157 ( -0.375 -0.738 -0.173) 0.846 9.125 ( -0.143 0.022 0.529) 0.548 9.126 ( 0.079 -0.052 0.494) 0.503 9.253 ( 0.803 0.814 0.200) 1.161 9.263 ( 0.745 -0.287 -0.204) 0.824 9.289 ( 1.975 0.188 1.667) 2.591 9.305 ( 4.372 -1.739 2.946) 5.551 9.345 ( -0.002 1.071 0.143) 1.080 9.366 ( -0.726 -1.184 0.181) 1.401 9.710 ( 0.397 0.489 0.405) 0.749 9.716 ( -0.187 -0.045 -0.036) 0.195 9.735 ( 0.237 0.184 0.217) 0.370 9.747 ( -0.728 -0.917 -0.305) 1.210 9.869 ( 1.512 0.189 0.875) 1.757 9.874 ( 1.326 -0.251 0.810) 1.574 10.011 ( -4.404 0.392 -3.187) 5.451 10.017 ( -3.938 -0.208 -2.805) 4.840 10.071 ( 0.343 0.585 0.677) 0.958 10.083 ( 0.843 -0.710 0.884) 1.413 10.122 ( 0.910 0.702 -0.090) 1.153 10.136 ( 1.235 -0.805 0.076) 1.476 10.200 ( 2.760 0.880 2.186) 3.630 10.214 ( 2.234 -0.529 2.294) 3.246 10.341 ( -3.862 0.628 -1.533) 4.203 10.353 ( -0.954 -0.761 -0.267) 1.249 10.385 ( 1.381 0.229 0.318) 1.435 10.393 ( 1.407 -0.628 0.129) 1.546 10.452 ( 3.935 0.884 2.063) 4.530 10.469 ( 2.766 -0.950 1.690) 3.378 10.503 ( -0.645 1.148 -2.246) 2.603 10.521 ( -0.547 -0.843 -1.988) 2.228 10.605 ( 0.378 1.796 1.730) 2.522 10.652 ( -2.825 -2.994 0.386) 4.135 11.301 ( -0.795 0.714 1.853) 2.139 11.316 ( -0.713 -0.916 1.626) 1.998 11.422 ( 0.141 0.587 -0.546) 0.814 11.431 ( -0.172 -0.406 -0.828) 0.938 11.527 ( 0.966 0.762 0.743) 1.437 11.540 ( 1.113 -0.664 1.001) 1.637 11.613 ( -1.553 1.133 -1.757) 2.604 11.634 ( -1.920 -1.297 -1.238) 2.627 11.717 ( 1.508 0.974 1.053) 2.081 11.731 ( 1.270 -0.400 0.904) 1.609 11.776 ( 1.148 1.450 0.355) 1.883 11.804 ( -0.017 -1.496 0.147) 1.504 11.913 ( -0.374 1.328 -1.245) 1.859 11.932 ( -0.884 -0.392 -0.797) 1.253 11.949 ( -0.610 -0.443 -0.398) 0.852 11.959 ( 0.126 -1.098 -0.541) 1.230 ======================= Grid point 36 (21/39) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 7.577 6.065 2.488) 10.020 0.698 ( 3.741 -3.085 -0.092) 4.850 0.751 ( 0.679 1.842 -0.195) 1.973 0.787 ( 3.783 3.979 4.275) 6.958 0.807 ( 2.687 -1.802 -1.247) 3.467 0.887 ( 1.980 -5.590 3.047) 6.667 0.994 ( 3.659 1.856 -0.232) 4.109 1.010 ( 1.475 0.590 -1.543) 2.215 1.075 ( -1.939 0.248 -2.129) 2.891 1.114 ( 0.379 -3.000 -1.621) 3.431 1.152 ( 1.781 1.284 -1.262) 2.532 1.164 ( 2.678 -0.048 -0.953) 2.843 1.193 ( -12.232 3.038 -8.970) 15.469 1.252 ( -9.713 -2.942 -7.447) 12.588 1.302 ( -0.735 2.991 2.614) 4.040 1.356 ( 4.194 -2.744 4.655) 6.840 1.401 ( 0.998 1.316 2.218) 2.765 1.415 ( -3.562 0.196 -0.898) 3.679 1.462 ( 4.947 2.218 3.458) 6.431 1.511 ( 0.048 -2.739 0.378) 2.765 1.539 ( -1.912 -0.018 1.383) 2.359 1.540 ( 2.674 -0.168 2.948) 3.983 1.699 ( 1.148 1.664 -1.555) 2.551 1.742 ( 0.589 -2.913 -0.901) 3.105 1.803 ( 5.816 0.790 4.546) 7.424 1.815 ( 5.057 -0.407 4.191) 6.581 1.926 ( 3.775 1.657 1.914) 4.545 1.963 ( 3.272 -2.031 0.807) 3.935 1.994 ( -0.618 1.861 1.524) 2.484 2.043 ( 1.180 -2.977 0.985) 3.350 2.072 ( 1.103 0.921 0.464) 1.511 2.099 ( 2.378 -2.054 0.765) 3.234 2.163 ( -1.347 2.050 2.614) 3.585 2.189 ( -0.895 -0.699 0.689) 1.328 2.227 ( -1.057 1.748 -0.898) 2.232 2.262 ( 1.503 1.369 0.264) 2.050 2.273 ( -2.420 -0.153 -2.090) 3.201 2.293 ( 0.021 0.615 0.569) 0.839 2.330 ( 0.819 -1.550 0.185) 1.763 2.334 ( -0.063 -1.773 -1.197) 2.140 2.533 ( -4.224 2.468 1.331) 5.071 2.575 ( -3.581 -2.167 1.154) 4.342 2.626 ( 1.857 2.731 0.361) 3.322 2.653 ( 0.123 2.495 -1.671) 3.005 2.685 ( -3.132 -1.321 -1.149) 3.588 2.707 ( -4.428 -1.545 -2.149) 5.159 2.808 ( 2.945 2.530 3.224) 5.047 2.843 ( 1.444 -0.165 3.445) 3.740 2.951 ( -1.274 1.701 -0.639) 2.219 2.962 ( 1.470 2.226 -0.161) 2.673 2.978 ( -2.351 0.899 -3.671) 4.451 3.014 ( 0.435 1.153 -1.539) 1.972 3.037 ( -2.221 -2.256 -1.123) 3.359 3.057 ( 2.799 -4.055 -0.283) 4.935 3.121 ( 0.994 2.417 -0.137) 2.617 3.166 ( -1.484 2.023 -3.278) 4.127 3.181 ( 0.261 -4.451 -1.509) 4.707 3.215 ( 0.634 -2.684 -1.552) 3.164 3.332 ( 0.094 2.148 -1.357) 2.542 3.372 ( 1.698 -1.168 -1.875) 2.786 3.436 ( -1.715 0.506 3.657) 4.071 3.454 ( -3.045 -1.511 3.113) 4.610 3.493 ( -6.217 0.569 -1.473) 6.414 3.516 ( -4.255 -2.250 -1.785) 5.134 3.596 ( 1.968 2.845 1.239) 3.675 3.646 ( 4.153 -1.379 2.352) 4.968 3.679 ( 2.277 1.995 -0.140) 3.031 3.721 ( 1.984 -2.199 -0.101) 2.963 3.837 ( -0.180 0.995 -1.805) 2.069 3.859 ( 0.854 -1.003 -1.456) 1.964 4.095 ( -1.499 -0.939 1.001) 2.033 4.102 ( -1.799 -1.527 1.220) 2.656 4.309 ( -4.764 0.126 -2.017) 5.175 4.314 ( -4.385 -0.388 -2.070) 4.864 4.494 ( 3.839 2.247 -0.147) 4.451 4.531 ( 3.954 -1.507 -0.755) 4.298 4.644 ( -0.671 1.392 1.494) 2.149 4.664 ( -0.793 -0.509 0.389) 1.019 4.740 ( 1.422 0.225 1.252) 1.908 4.749 ( 1.426 -0.689 0.298) 1.612 4.828 ( -1.354 1.308 2.096) 2.817 4.868 ( -1.820 -2.711 0.144) 3.269 5.025 ( 0.184 2.513 -0.367) 2.547 5.057 ( 0.269 -0.923 -1.020) 1.402 5.089 ( -1.126 1.154 0.533) 1.698 5.101 ( -0.812 -0.065 0.241) 0.850 5.199 ( -0.173 2.573 0.511) 2.629 5.239 ( 0.281 -1.722 -0.450) 1.801 5.489 ( -0.538 0.655 0.650) 1.068 5.502 ( -0.062 -0.722 0.476) 0.867 5.751 ( 0.100 2.318 -0.154) 2.325 5.791 ( 0.435 -1.886 -1.056) 2.205 6.078 ( -0.148 1.945 0.097) 1.953 6.101 ( 1.507 -0.096 0.380) 1.557 6.130 ( -2.025 -0.237 -0.217) 2.050 6.143 ( -0.980 -1.067 -0.063) 1.450 9.113 ( -1.335 0.304 0.261) 1.394 9.118 ( -1.139 -0.291 0.365) 1.231 9.266 ( 0.616 0.431 -0.080) 0.756 9.269 ( 0.353 0.058 -0.342) 0.495 9.310 ( -1.572 0.441 -0.831) 1.832 9.323 ( -2.318 -0.962 -0.866) 2.655 9.365 ( 2.032 2.068 0.573) 2.955 9.410 ( 1.933 -2.731 0.162) 3.350 9.711 ( -0.217 0.516 -0.304) 0.637 9.719 ( -0.403 -0.387 -0.279) 0.625 9.740 ( 0.794 0.800 0.176) 1.141 9.753 ( 1.374 -0.688 0.494) 1.614 9.889 ( -2.642 0.276 -1.553) 3.077 9.894 ( -2.512 -0.271 -1.501) 2.938 9.954 ( 2.824 0.121 2.089) 3.515 9.960 ( 3.123 -0.485 2.292) 3.904 10.092 ( 0.318 0.652 0.661) 0.981 10.101 ( -0.721 -0.044 -0.255) 0.766 10.113 ( -0.490 -0.089 -0.324) 0.594 10.119 ( -1.350 -0.469 -0.941) 1.711 10.223 ( -3.499 1.764 -1.742) 4.288 10.250 ( -2.426 -1.056 -1.039) 2.843 10.311 ( 2.670 0.008 2.329) 3.543 10.315 ( 2.325 -0.333 2.064) 3.127 10.438 ( 1.399 0.552 0.213) 1.519 10.447 ( 0.319 0.047 -1.153) 1.198 10.457 ( -1.067 0.549 -1.633) 2.027 10.471 ( -1.582 -0.627 -2.757) 3.240 10.506 ( 0.701 -0.588 -0.494) 1.040 10.510 ( -0.655 -0.725 -1.065) 1.445 10.680 ( 7.014 3.844 1.860) 8.212 10.783 ( 12.770 -7.646 2.077) 15.028 11.304 ( -0.842 0.511 1.618) 1.894 11.317 ( -0.915 -0.856 1.288) 1.797 11.414 ( -0.435 0.536 -0.743) 1.014 11.420 ( 0.055 0.027 -0.245) 0.253 11.537 ( -2.308 0.568 -0.110) 2.379 11.548 ( -2.893 -0.672 0.128) 2.972 11.579 ( 1.337 1.212 0.243) 1.821 11.601 ( 1.238 -0.976 0.374) 1.620 11.712 ( -2.110 0.811 -0.521) 2.320 11.727 ( -2.002 -0.644 -0.370) 2.135 11.795 ( 0.012 1.581 -0.494) 1.656 11.827 ( 1.549 -1.792 0.640) 2.454 11.900 ( -0.055 0.772 -0.256) 0.815 11.912 ( -0.075 -0.366 0.088) 0.384 11.930 ( -0.448 0.896 -0.665) 1.203 11.957 ( 0.300 -1.700 -0.254) 1.745 ======================= Grid point 37 (22/39) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 2.356 0.451 -1.717) 2.950 0.732 ( 2.304 -1.924 -2.949) 4.208 0.810 ( 2.202 1.692 -1.204) 3.027 0.830 ( 1.241 -0.192 -2.003) 2.365 0.856 ( -2.258 3.531 -2.662) 4.966 0.912 ( -0.330 -0.777 1.661) 1.863 0.960 ( 4.324 3.752 0.410) 5.739 1.016 ( -2.281 1.294 -0.378) 2.649 1.030 ( 2.168 0.210 -0.710) 2.291 1.063 ( 2.798 -1.074 1.726) 3.459 1.093 ( -0.099 1.900 -1.003) 2.151 1.127 ( -1.972 2.025 -1.920) 3.417 1.196 ( 2.931 -1.911 0.646) 3.558 1.220 ( 1.763 -0.546 -1.520) 2.391 1.231 ( 0.972 -0.630 0.665) 1.335 1.264 ( -0.330 -2.478 -0.241) 2.512 1.344 ( -1.305 1.161 0.853) 1.944 1.379 ( -1.923 -2.366 0.343) 3.068 1.438 ( -1.874 1.765 2.724) 3.748 1.479 ( -0.350 -2.445 2.400) 3.444 1.699 ( -0.427 2.249 0.646) 2.378 1.751 ( 0.317 -2.981 -0.161) 3.002 1.840 ( -1.361 0.528 -0.907) 1.718 1.849 ( -1.255 -0.294 -0.930) 1.589 1.925 ( -2.140 1.281 0.957) 2.671 1.935 ( -0.467 -0.066 1.739) 1.801 1.970 ( -0.668 1.017 -0.941) 1.539 1.991 ( -0.395 -0.785 0.044) 0.880 2.010 ( 3.195 0.756 1.723) 3.707 2.050 ( 1.264 -2.511 -1.040) 2.997 2.092 ( 2.119 0.556 0.253) 2.205 2.098 ( 2.221 -0.060 0.030) 2.222 2.125 ( 0.401 0.448 -0.879) 1.064 2.144 ( 1.069 -1.372 -1.344) 2.198 2.190 ( -1.906 1.674 -0.769) 2.651 2.224 ( -0.964 -1.544 -0.311) 1.846 2.276 ( 0.206 3.164 0.485) 3.207 2.330 ( -0.108 -2.500 -0.303) 2.521 2.380 ( 4.881 1.101 2.452) 5.572 2.388 ( 4.214 -0.002 2.091) 4.705 2.417 ( -7.378 2.418 -2.992) 8.321 2.459 ( -6.378 -2.461 -1.662) 7.036 2.560 ( 0.186 0.220 4.385) 4.395 2.575 ( -1.462 -1.842 2.193) 3.216 2.716 ( 4.230 2.404 0.751) 4.923 2.738 ( 1.476 0.686 1.040) 1.932 2.802 ( -1.855 3.632 -4.044) 5.743 2.848 ( 0.190 1.105 -0.031) 1.121 2.882 ( -1.707 0.923 -1.118) 2.240 2.924 ( -0.339 -2.214 0.552) 2.307 2.962 ( 1.140 0.969 -3.664) 3.958 2.988 ( -1.584 0.883 -0.863) 2.008 3.025 ( 1.270 -1.158 -1.128) 2.056 3.080 ( -0.635 2.581 -0.068) 2.658 3.090 ( 1.022 -3.812 -0.851) 4.037 3.140 ( 0.108 -2.527 0.973) 2.710 3.187 ( 1.405 0.420 -1.144) 1.860 3.214 ( 0.273 -2.705 -1.379) 3.048 3.342 ( -0.220 2.538 0.283) 2.563 3.360 ( -2.245 0.262 -1.549) 2.741 3.375 ( -2.488 1.321 2.350) 3.668 3.432 ( -0.061 -4.255 -0.323) 4.268 3.484 ( 1.524 0.818 2.411) 2.967 3.497 ( -0.573 -0.566 2.384) 2.516 3.630 ( 1.776 2.707 -1.689) 3.652 3.692 ( 0.634 -3.709 -2.171) 4.344 3.726 ( -1.733 3.297 -0.282) 3.735 3.783 ( -1.250 -2.059 1.034) 2.621 3.816 ( 1.208 1.375 -2.031) 2.735 3.846 ( 0.312 -1.913 -2.457) 3.129 4.074 ( -0.789 -0.851 0.818) 1.419 4.082 ( -1.264 -1.760 0.909) 2.349 4.225 ( -1.404 0.415 -0.458) 1.534 4.237 ( -0.444 -0.893 0.141) 1.008 4.546 ( 1.782 2.086 -0.654) 2.820 4.579 ( 1.612 -1.247 -0.321) 2.064 4.639 ( -0.974 1.486 1.406) 2.266 4.654 ( -0.154 -0.062 0.624) 0.646 4.754 ( -0.169 1.900 -1.320) 2.319 4.791 ( -0.357 -2.222 -0.558) 2.319 4.831 ( -1.871 0.138 2.119) 2.830 4.856 ( -0.655 -2.208 1.525) 2.762 5.028 ( 0.486 2.484 0.466) 2.574 5.050 ( 0.383 0.466 0.129) 0.617 5.067 ( -1.045 0.581 0.591) 1.334 5.086 ( 0.158 -1.166 -0.209) 1.195 5.192 ( -0.075 2.665 -0.184) 2.672 5.231 ( 0.363 -1.572 -0.911) 1.853 5.491 ( -0.273 0.828 0.812) 1.191 5.509 ( 0.039 -1.069 0.381) 1.136 5.763 ( 0.386 2.313 0.789) 2.474 5.803 ( 0.762 -1.922 0.069) 2.069 6.073 ( -0.562 1.917 0.570) 2.077 6.095 ( -1.159 -0.144 0.275) 1.200 6.126 ( 0.626 -0.580 -0.129) 0.863 6.129 ( -0.254 -0.641 -0.222) 0.724 9.096 ( -0.547 0.424 0.286) 0.749 9.103 ( -0.610 -0.374 0.228) 0.751 9.264 ( 0.141 0.403 -0.823) 0.928 9.270 ( 0.346 -0.163 -0.661) 0.764 9.281 ( -0.058 0.405 0.164) 0.441 9.290 ( -0.076 -0.404 0.211) 0.462 9.388 ( 0.356 1.573 -0.506) 1.691 9.421 ( 0.257 -1.866 -0.796) 2.045 9.710 ( 0.348 0.524 0.261) 0.681 9.716 ( 0.364 -0.153 0.466) 0.611 9.755 ( 0.290 1.097 -0.110) 1.140 9.776 ( 0.322 -1.131 -0.103) 1.181 9.849 ( -0.289 0.284 -0.053) 0.408 9.855 ( -0.270 -0.454 -0.002) 0.528 10.034 ( -1.072 0.327 -0.330) 1.168 10.041 ( -1.044 -0.363 -0.203) 1.124 10.059 ( 0.544 0.289 0.199) 0.648 10.061 ( -0.090 0.111 -0.256) 0.293 10.099 ( 0.203 0.389 0.311) 0.538 10.105 ( 0.130 -0.218 0.333) 0.418 10.177 ( -0.017 1.311 0.131) 1.318 10.201 ( -0.088 -1.223 0.097) 1.230 10.368 ( -0.698 0.819 -0.426) 1.157 10.386 ( -0.834 -1.110 -0.643) 1.530 10.421 ( 0.145 0.423 0.686) 0.819 10.424 ( 1.092 0.065 1.492) 1.850 10.444 ( 1.531 0.084 0.266) 1.557 10.448 ( 1.066 -0.277 0.008) 1.101 10.499 ( 0.230 0.541 -0.076) 0.593 10.516 ( 0.353 -1.337 -0.347) 1.426 10.802 ( 3.038 6.740 -2.233) 7.723 10.956 ( 4.571 -9.825 -3.748) 11.466 11.299 ( -1.124 0.296 0.701) 1.357 11.307 ( -0.923 -0.359 0.625) 1.171 11.405 ( 0.014 1.234 0.074) 1.236 11.421 ( 0.064 -0.202 -0.057) 0.219 11.493 ( -1.370 0.200 0.359) 1.430 11.497 ( -1.569 -0.339 0.587) 1.710 11.619 ( 0.633 1.161 0.394) 1.380 11.639 ( 0.846 -0.534 0.458) 1.101 11.658 ( -1.700 0.691 -1.036) 2.108 11.675 ( -0.698 -1.377 -0.695) 1.693 11.791 ( 0.000 2.110 -0.593) 2.192 11.833 ( -0.343 -2.394 -1.190) 2.695 11.900 ( 0.024 0.684 0.628) 0.929 11.913 ( -0.260 -0.651 0.700) 0.990 11.936 ( 0.737 1.226 0.150) 1.438 11.964 ( 0.233 -1.629 -0.064) 1.647 ======================= Grid point 38 (23/39) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -3.628 4.419 -2.656) 6.304 0.728 ( -1.239 -1.636 -1.580) 2.590 0.750 ( -4.032 1.397 -2.939) 5.182 0.803 ( -1.362 -3.280 -3.445) 4.948 0.835 ( -4.931 2.797 1.330) 5.823 0.899 ( -3.000 -3.778 0.809) 4.891 0.995 ( 1.427 2.575 -0.671) 3.019 1.030 ( 5.368 -0.109 -0.110) 5.371 1.105 ( 1.414 1.309 1.181) 2.260 1.119 ( 2.046 1.091 0.835) 2.465 1.151 ( 3.044 -0.719 1.278) 3.379 1.182 ( 1.967 -2.908 0.713) 3.582 1.234 ( 2.872 2.272 1.983) 4.164 1.261 ( 4.408 -0.764 2.236) 5.001 1.289 ( -2.752 1.768 0.207) 3.278 1.339 ( -2.013 -2.927 0.357) 3.571 1.366 ( 0.087 2.505 -1.415) 2.878 1.400 ( 3.576 -0.876 1.135) 3.853 1.449 ( -3.655 -0.208 -3.212) 4.870 1.455 ( -7.263 -0.565 -5.294) 9.005 1.574 ( 0.433 1.440 4.144) 4.409 1.600 ( -0.108 -1.153 4.190) 4.347 1.744 ( 1.750 0.646 0.569) 1.951 1.763 ( 0.974 -1.482 -1.340) 2.223 1.785 ( -4.413 1.028 -0.830) 4.607 1.808 ( -5.900 -1.011 -1.903) 6.282 1.907 ( -4.108 2.731 -4.036) 6.373 1.958 ( -4.804 -2.607 -5.445) 7.715 2.002 ( -0.588 1.497 1.860) 2.459 2.046 ( -2.460 -1.485 -0.572) 2.930 2.077 ( -0.861 -0.411 -0.849) 1.278 2.080 ( -1.295 -0.416 -0.983) 1.678 2.142 ( -1.869 0.792 -0.357) 2.061 2.162 ( 0.398 -0.812 0.772) 1.189 2.256 ( -1.729 2.091 -1.271) 2.996 2.269 ( 0.709 1.287 -1.443) 2.059 2.286 ( 2.348 1.257 2.265) 3.496 2.309 ( 1.040 -1.027 1.751) 2.281 2.344 ( -0.253 -0.672 0.222) 0.751 2.353 ( -0.361 -1.180 -0.386) 1.293 2.472 ( 3.211 0.550 3.324) 4.655 2.501 ( 1.258 -2.318 1.177) 2.889 2.667 ( 2.950 0.150 2.218) 3.694 2.670 ( 0.135 -0.378 -0.609) 0.730 2.698 ( -2.184 4.000 -0.018) 4.558 2.758 ( 2.271 -1.207 3.475) 4.324 2.777 ( -2.587 4.726 -0.473) 5.409 2.850 ( -4.438 -1.518 -0.171) 4.693 2.897 ( -0.219 2.669 -2.886) 3.937 2.912 ( 0.615 0.076 -1.061) 1.229 2.941 ( 0.569 -0.598 -3.078) 3.186 2.982 ( 3.546 -2.220 0.222) 4.190 3.075 ( 3.050 1.201 0.130) 3.280 3.105 ( 1.857 -1.016 0.099) 2.119 3.119 ( 1.482 -1.757 -0.440) 2.340 3.137 ( -1.348 -1.385 0.523) 2.002 3.222 ( 2.977 -0.733 -0.227) 3.074 3.228 ( 4.706 -1.634 0.437) 5.001 3.322 ( 1.383 3.340 -1.575) 3.943 3.366 ( -1.401 2.496 1.462) 3.214 3.389 ( 3.398 -1.803 0.910) 3.953 3.402 ( -2.124 -2.290 1.739) 3.575 3.507 ( -2.416 1.021 2.039) 3.322 3.541 ( 0.132 -1.984 2.166) 2.940 3.589 ( -3.620 2.786 -3.453) 5.726 3.632 ( -3.315 -1.914 -4.476) 5.889 3.668 ( 3.690 0.823 -1.750) 4.166 3.700 ( 0.662 -2.320 -2.471) 3.454 3.830 ( 1.121 0.897 -0.944) 1.718 3.841 ( 0.410 -0.239 -0.129) 0.492 4.071 ( -0.235 -0.960 -0.005) 0.989 4.074 ( -0.037 -1.239 0.278) 1.270 4.274 ( 4.040 1.052 1.716) 4.513 4.293 ( 2.699 -0.808 0.896) 2.956 4.553 ( -0.544 1.466 -0.468) 1.632 4.584 ( -0.721 -1.131 -0.316) 1.378 4.626 ( -1.098 1.708 0.414) 2.072 4.657 ( -0.868 -0.695 0.727) 1.329 4.715 ( -0.874 0.952 -1.709) 2.143 4.744 ( -0.168 -1.642 -1.613) 2.308 4.819 ( -0.981 1.738 2.044) 2.857 4.863 ( 0.200 -2.718 1.418) 3.072 5.043 ( 0.035 2.547 0.991) 2.733 5.069 ( 0.396 0.361 0.537) 0.759 5.073 ( 0.246 0.498 0.523) 0.763 5.096 ( -0.062 -1.505 -0.015) 1.506 5.193 ( -0.287 2.684 -0.109) 2.701 5.235 ( 0.337 -1.835 -0.802) 2.031 5.493 ( -0.400 0.788 0.893) 1.256 5.509 ( -0.391 -0.926 0.452) 1.102 5.774 ( -0.134 2.288 1.102) 2.543 5.813 ( 0.384 -1.775 0.280) 1.837 6.079 ( 0.324 1.605 0.688) 1.776 6.103 ( 1.230 -0.724 0.480) 1.505 6.117 ( -0.794 0.371 -0.454) 0.987 6.130 ( 0.468 -0.715 -0.169) 0.871 9.098 ( 0.365 0.248 0.377) 0.580 9.102 ( 0.240 -0.180 0.190) 0.355 9.267 ( -0.034 0.418 -0.405) 0.583 9.269 ( 0.149 0.164 -0.408) 0.464 9.312 ( 1.403 0.004 1.251) 1.879 9.317 ( 1.791 -0.515 1.526) 2.408 9.367 ( -1.441 1.567 -1.601) 2.664 9.404 ( -1.012 -2.284 -2.183) 3.317 9.725 ( 0.276 0.577 0.796) 1.021 9.734 ( -0.091 -0.331 0.747) 0.822 9.746 ( -0.430 0.752 -0.153) 0.880 9.761 ( -1.161 -0.811 -0.642) 1.555 9.876 ( 2.065 0.270 0.775) 2.222 9.880 ( 1.799 -0.194 0.530) 1.886 9.947 ( -2.062 0.025 -1.471) 2.533 9.953 ( -2.530 -0.477 -1.838) 3.163 10.091 ( -0.661 0.491 -0.079) 0.827 10.096 ( 0.245 0.030 0.208) 0.323 10.110 ( 1.566 0.081 0.665) 1.703 10.113 ( 0.409 -0.248 0.066) 0.483 10.222 ( 2.531 1.550 2.055) 3.610 10.244 ( 1.392 -0.748 0.959) 1.848 10.307 ( -1.841 0.089 -1.144) 2.169 10.311 ( -2.860 -0.342 -1.601) 3.295 10.454 ( 0.725 0.443 0.757) 1.138 10.458 ( -0.299 0.047 0.400) 0.502 10.484 ( 1.063 0.077 0.061) 1.068 10.496 ( 0.121 -1.191 -0.091) 1.201 10.524 ( 1.826 1.233 2.874) 3.622 10.553 ( 3.560 -1.759 4.769) 6.206 10.714 ( -6.627 5.111 -5.879) 10.228 10.845 ( -8.285 -9.516 -9.312) 15.681 11.290 ( -0.504 0.892 0.956) 1.402 11.304 ( -0.195 -0.597 0.699) 0.940 11.415 ( 0.643 0.681 0.239) 0.967 11.420 ( 0.163 0.164 -0.129) 0.265 11.501 ( 1.186 0.137 0.555) 1.316 11.506 ( 0.833 -0.360 0.703) 1.148 11.595 ( -0.799 1.063 -0.174) 1.341 11.610 ( -0.571 -0.320 -0.432) 0.784 11.683 ( 1.703 0.361 -0.111) 1.744 11.692 ( 1.258 -0.652 -0.585) 1.533 11.789 ( 0.612 1.189 -0.382) 1.391 11.807 ( -0.440 -0.755 -1.656) 1.873 11.910 ( 0.010 0.679 0.761) 1.020 11.924 ( 0.241 -0.860 1.139) 1.447 11.944 ( 0.139 0.533 0.128) 0.565 11.962 ( -0.043 -1.208 -0.237) 1.232 ======================= Grid point 39 (24/39) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -7.058 9.156 -1.467) 11.654 0.587 ( -5.769 9.282 0.014) 10.929 0.697 ( -4.003 -5.696 -0.953) 7.027 0.748 ( -0.831 -7.274 -0.483) 7.338 0.765 ( -1.573 2.315 -1.836) 3.347 0.836 ( -3.491 -4.419 -0.599) 5.664 0.893 ( -9.145 5.513 0.393) 10.685 0.952 ( -6.837 -0.697 -1.288) 6.992 1.042 ( -4.136 0.926 -4.572) 6.235 1.064 ( -3.079 0.491 -2.106) 3.762 1.121 ( -1.884 -0.401 -0.839) 2.101 1.136 ( -0.689 -1.760 -0.587) 1.979 1.170 ( -0.718 1.536 0.168) 1.704 1.204 ( -0.766 -2.043 -0.813) 2.328 1.297 ( -1.393 1.225 -0.985) 2.101 1.330 ( -1.505 -0.347 -2.650) 3.067 1.368 ( -0.622 -0.384 -0.078) 0.735 1.373 ( -0.904 -2.264 -0.821) 2.572 1.599 ( 8.084 1.367 2.928) 8.706 1.630 ( 7.403 -1.557 2.545) 7.982 1.695 ( 6.727 0.042 5.028) 8.399 1.705 ( 7.964 -1.063 5.675) 9.837 1.723 ( 1.459 2.377 0.302) 2.805 1.758 ( 1.164 -1.410 -1.287) 2.235 1.860 ( 2.424 1.557 0.913) 3.022 1.888 ( 1.966 -1.168 3.255) 3.978 1.926 ( 3.513 0.705 4.436) 5.702 1.939 ( 1.736 -0.845 3.016) 3.581 2.011 ( -3.929 0.603 -1.277) 4.175 2.015 ( 1.094 0.680 2.665) 2.960 2.030 ( -0.840 0.742 0.503) 1.229 2.069 ( 2.429 -1.171 3.740) 4.611 2.090 ( -1.432 -0.019 0.932) 1.708 2.132 ( -2.631 -2.822 -1.609) 4.180 2.225 ( -2.719 1.387 -2.450) 3.914 2.245 ( -4.025 -0.668 -3.851) 5.611 2.261 ( -4.404 0.569 -0.951) 4.542 2.286 ( -1.771 -1.518 0.681) 2.430 2.338 ( 1.051 1.744 0.592) 2.121 2.357 ( 1.052 -0.769 -0.437) 1.375 2.504 ( -0.779 0.617 -1.667) 1.941 2.517 ( -2.037 -0.408 -1.465) 2.542 2.588 ( -2.228 2.546 -0.440) 3.412 2.594 ( -3.555 1.326 0.304) 3.806 2.665 ( -4.973 1.605 -0.180) 5.228 2.691 ( -3.098 0.248 0.918) 3.241 2.782 ( 0.010 0.106 1.016) 1.021 2.804 ( -1.428 -0.936 1.223) 2.100 2.871 ( 1.284 3.891 -1.664) 4.422 2.918 ( 1.707 -2.000 -3.580) 4.441 2.985 ( 3.098 1.671 -1.661) 3.892 3.016 ( 0.711 -0.290 -0.550) 0.945 3.059 ( 1.238 -1.264 -1.174) 2.124 3.074 ( -3.377 -1.280 -1.089) 3.772 3.116 ( -0.683 1.561 -0.442) 1.760 3.183 ( 1.928 -4.533 -0.939) 5.015 3.260 ( -0.638 0.937 -4.061) 4.216 3.275 ( 0.102 -0.489 -3.439) 3.475 3.309 ( 1.471 1.529 3.154) 3.801 3.343 ( 1.083 -1.876 2.267) 3.135 3.402 ( -1.654 -0.841 1.772) 2.566 3.422 ( 0.190 -2.453 0.536) 2.518 3.523 ( 3.831 3.364 -1.176) 5.233 3.564 ( -0.092 0.199 -0.953) 0.978 3.603 ( 3.446 0.931 0.734) 3.645 3.646 ( 3.779 -3.002 -0.854) 4.901 3.736 ( 3.955 0.310 1.527) 4.251 3.741 ( 2.922 -0.115 2.042) 3.567 3.840 ( 0.194 1.047 -1.303) 1.683 3.854 ( 0.069 -0.356 -0.746) 0.830 4.084 ( 0.693 -0.401 0.820) 1.145 4.097 ( 1.179 -1.802 0.897) 2.333 4.296 ( 1.306 1.739 -2.297) 3.163 4.319 ( 1.426 -0.619 -1.802) 2.380 4.554 ( -0.548 -0.030 -0.422) 0.693 4.565 ( -0.279 -1.160 -0.228) 1.215 4.601 ( -2.000 1.401 0.900) 2.603 4.630 ( -2.316 -1.371 0.946) 2.853 4.730 ( 1.957 2.685 0.371) 3.343 4.781 ( 2.835 -2.296 -0.036) 3.648 4.844 ( 1.147 3.040 1.980) 3.805 4.899 ( 1.577 -2.777 1.390) 3.483 5.039 ( -1.311 2.440 0.425) 2.803 5.062 ( -0.890 0.929 -0.269) 1.314 5.065 ( -0.790 -0.274 -0.520) 0.984 5.082 ( -1.061 -1.519 0.625) 1.955 5.172 ( -1.004 2.345 -0.132) 2.554 5.214 ( -0.750 -2.018 -1.132) 2.432 5.496 ( -0.172 0.761 0.624) 0.999 5.511 ( -0.152 -0.956 0.966) 1.368 5.783 ( -0.189 2.528 0.528) 2.590 5.831 ( 1.248 -2.457 -0.390) 2.783 6.086 ( -0.409 1.051 0.369) 1.187 6.093 ( -0.995 0.549 0.258) 1.165 6.139 ( 1.583 -0.182 -0.050) 1.594 6.149 ( 1.229 -0.926 0.094) 1.541 9.113 ( 0.663 0.025 0.362) 0.756 9.114 ( 0.644 -0.039 0.217) 0.681 9.253 ( -0.646 0.930 -0.750) 1.358 9.267 ( -0.213 -0.432 -0.652) 0.810 9.290 ( -2.425 -0.053 -1.223) 2.717 9.298 ( -3.874 -1.229 -2.780) 4.924 9.349 ( -0.319 0.684 0.030) 0.756 9.364 ( 0.445 -0.886 0.768) 1.255 9.714 ( -1.002 0.637 -0.151) 1.197 9.726 ( -0.714 -0.472 0.132) 0.866 9.737 ( -0.568 0.683 -0.045) 0.889 9.753 ( -0.070 -1.005 0.508) 1.128 9.862 ( -0.626 0.214 -0.958) 1.164 9.867 ( -0.468 -0.255 -0.759) 0.927 10.007 ( 4.698 0.356 2.574) 5.369 10.013 ( 4.376 -0.288 2.468) 5.033 10.068 ( -0.534 0.553 -0.150) 0.784 10.076 ( -0.413 -0.228 -0.436) 0.642 10.125 ( -0.307 0.451 -0.639) 0.840 10.133 ( -0.915 -0.405 -1.172) 1.541 10.192 ( -2.098 0.965 -1.343) 2.672 10.205 ( -2.353 -0.478 -1.092) 2.638 10.333 ( 2.741 0.949 2.044) 3.549 10.354 ( 2.238 -1.375 1.510) 3.029 10.412 ( -2.393 0.928 -0.335) 2.588 10.437 ( -3.304 -1.894 -0.980) 3.933 10.477 ( -3.912 0.182 -2.330) 4.557 10.481 ( -2.606 -0.112 -1.717) 3.122 10.541 ( -1.794 0.285 -1.842) 2.587 10.557 ( -6.489 -1.697 -4.570) 8.116 10.591 ( 0.286 3.191 2.763) 4.231 10.656 ( 0.699 -3.758 3.901) 5.462 11.295 ( -0.548 0.846 1.630) 1.916 11.310 ( -0.362 -0.810 1.333) 1.601 11.422 ( 0.337 0.669 -0.291) 0.804 11.432 ( 0.734 -0.319 -0.216) 0.829 11.514 ( 0.246 0.291 -0.346) 0.515 11.520 ( 0.715 -0.320 -0.326) 0.848 11.619 ( 1.688 1.069 1.038) 2.251 11.636 ( 1.805 -0.786 1.348) 2.387 11.688 ( 0.537 0.764 -1.368) 1.656 11.699 ( 0.865 -0.364 -1.311) 1.612 11.782 ( -0.707 1.220 -0.679) 1.564 11.804 ( 0.356 -1.063 -0.049) 1.122 11.917 ( 0.433 1.251 0.060) 1.325 11.941 ( 0.297 -1.317 0.720) 1.530 11.947 ( 0.287 0.509 -0.234) 0.629 11.963 ( 0.220 -1.043 -0.181) 1.081 ======================= Grid point 50 (25/39) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 2.391 0.000 12.481) 12.708 0.628 ( -8.035 0.000 11.116) 13.716 0.757 ( -1.963 0.000 -4.764) 5.153 0.783 ( 4.344 0.000 1.122) 4.486 0.802 ( 6.159 0.000 -1.757) 6.405 0.867 ( -2.905 0.000 -2.910) 4.112 0.960 ( 3.934 0.000 4.576) 6.034 0.967 ( 2.294 0.000 -0.517) 2.352 1.032 ( 6.108 0.000 5.320) 8.101 1.061 ( 9.223 0.000 7.457) 11.861 1.090 ( 0.562 0.000 -2.689) 2.747 1.133 ( -0.440 0.000 2.258) 2.301 1.166 ( 4.852 0.000 -1.314) 5.027 1.276 ( 5.793 0.000 3.637) 6.840 1.341 ( 4.629 0.000 1.235) 4.791 1.363 ( -2.850 0.000 -1.908) 3.429 1.405 ( -16.067 0.000 -12.470) 20.338 1.407 ( -1.282 0.000 1.434) 1.923 1.539 ( -2.797 0.000 -2.289) 3.614 1.545 ( -7.240 0.000 -4.571) 8.562 1.561 ( 3.327 0.000 0.308) 3.341 1.616 ( -5.746 0.000 -4.164) 7.096 1.681 ( 5.771 0.000 -0.223) 5.776 1.718 ( -8.527 0.000 -2.427) 8.866 1.790 ( -1.923 0.000 -0.600) 2.014 1.815 ( -2.929 0.000 -2.803) 4.054 1.880 ( -1.297 0.000 0.631) 1.442 1.909 ( 1.793 0.000 -2.253) 2.879 2.021 ( 0.125 0.000 3.336) 3.338 2.043 ( 2.426 0.000 1.343) 2.773 2.096 ( -0.080 0.000 1.169) 1.172 2.108 ( -0.692 0.000 0.833) 1.083 2.193 ( -1.191 0.000 3.911) 4.088 2.217 ( -0.070 0.000 0.333) 0.341 2.218 ( 0.195 0.000 -1.292) 1.307 2.253 ( -0.110 0.000 -2.711) 2.713 2.258 ( 0.913 0.000 -0.042) 0.914 2.261 ( 3.473 0.000 -0.360) 3.492 2.302 ( -5.347 0.000 0.949) 5.431 2.331 ( 3.412 0.000 -2.833) 4.435 2.513 ( 2.405 0.000 5.314) 5.833 2.586 ( -2.376 0.000 0.143) 2.380 2.588 ( -2.539 0.000 3.834) 4.599 2.644 ( 9.513 0.000 -1.268) 9.598 2.705 ( -0.249 0.000 6.730) 6.735 2.744 ( 2.664 0.000 1.960) 3.307 2.799 ( 3.787 0.000 0.726) 3.856 2.805 ( -2.330 0.000 1.814) 2.953 2.893 ( 2.370 0.000 0.415) 2.406 2.921 ( -4.083 0.000 3.629) 5.463 2.934 ( 2.316 0.000 -5.541) 6.006 2.959 ( -0.199 0.000 3.493) 3.499 3.022 ( -3.420 0.000 -3.515) 4.905 3.068 ( 1.161 0.000 -6.041) 6.152 3.172 ( 4.137 0.000 0.727) 4.200 3.214 ( -3.188 0.000 -1.914) 3.718 3.242 ( -1.025 0.000 -0.162) 1.038 3.247 ( 2.827 0.000 0.023) 2.827 3.320 ( -1.961 0.000 3.305) 3.843 3.387 ( 2.548 0.000 -2.526) 3.588 3.432 ( -1.223 0.000 2.281) 2.588 3.474 ( 1.227 0.000 -1.459) 1.906 3.524 ( -0.588 0.000 2.669) 2.733 3.561 ( 1.478 0.000 0.047) 1.479 3.602 ( -1.269 0.000 -1.161) 1.720 3.649 ( -2.893 0.000 -3.601) 4.619 3.729 ( -5.228 0.000 2.118) 5.641 3.775 ( -0.106 0.000 0.676) 0.684 3.795 ( 3.426 0.000 -3.411) 4.834 3.811 ( -0.800 0.000 -2.411) 2.540 4.140 ( 0.544 0.000 1.145) 1.267 4.165 ( -0.343 0.000 -1.239) 1.285 4.326 ( 2.426 0.000 1.836) 3.043 4.339 ( 1.563 0.000 0.379) 1.609 4.463 ( -3.566 0.000 -0.281) 3.577 4.489 ( 0.097 0.000 -2.629) 2.631 4.633 ( 1.008 0.000 2.383) 2.587 4.669 ( 0.036 0.000 -0.946) 0.946 4.738 ( 2.607 0.000 0.623) 2.681 4.758 ( -4.137 0.000 -1.016) 4.260 4.877 ( 0.135 0.000 4.057) 4.059 4.959 ( -2.185 0.000 -4.111) 4.656 4.998 ( -1.916 0.000 3.932) 4.374 5.034 ( 1.590 0.000 -0.051) 1.591 5.039 ( -0.117 0.000 0.454) 0.469 5.067 ( 1.599 0.000 -2.133) 2.666 5.175 ( -1.499 0.000 2.328) 2.769 5.218 ( 2.444 0.000 -1.982) 3.147 5.505 ( -0.442 0.000 1.491) 1.555 5.534 ( -1.483 0.000 -1.341) 1.999 5.743 ( -2.256 0.000 1.400) 2.655 5.779 ( 1.152 0.000 -2.144) 2.434 6.048 ( 1.608 0.000 0.135) 1.614 6.049 ( -1.595 0.000 0.059) 1.597 6.173 ( -0.470 0.000 -0.113) 0.484 6.173 ( 0.341 0.000 -0.108) 0.358 9.135 ( -0.665 0.000 0.393) 0.772 9.136 ( 0.614 0.000 0.287) 0.678 9.243 ( 0.278 0.000 0.522) 0.592 9.255 ( 0.209 0.000 -0.665) 0.697 9.307 ( 1.206 0.000 0.619) 1.356 9.316 ( -0.962 0.000 -0.411) 1.046 9.405 ( -2.478 0.000 0.753) 2.590 9.415 ( 5.380 0.000 -0.253) 5.386 9.705 ( -0.895 0.000 -0.150) 0.907 9.706 ( 0.544 0.000 -0.307) 0.624 9.738 ( 1.799 0.000 0.848) 1.989 9.757 ( -2.036 0.000 -0.958) 2.250 9.889 ( 2.371 0.000 1.379) 2.743 9.899 ( 1.145 0.000 0.745) 1.366 9.964 ( -2.034 0.000 -1.426) 2.484 9.974 ( -2.867 0.000 -1.918) 3.449 10.078 ( 0.200 0.000 0.928) 0.949 10.094 ( -0.218 0.000 -0.675) 0.710 10.126 ( 1.302 0.000 0.992) 1.637 10.142 ( -0.848 0.000 -0.786) 1.157 10.225 ( 5.541 0.000 1.875) 5.850 10.254 ( -2.763 0.000 -0.338) 2.784 10.304 ( -1.064 0.000 1.406) 1.763 10.354 ( -2.409 0.000 -2.805) 3.697 10.396 ( 1.780 0.000 0.974) 2.029 10.413 ( 0.080 0.000 -0.571) 0.576 10.466 ( 3.855 0.000 0.537) 3.892 10.468 ( 3.488 0.000 1.312) 3.726 10.487 ( -1.662 0.000 -0.568) 1.756 10.496 ( -1.954 0.000 -2.045) 2.828 10.676 ( 12.641 0.000 2.248) 12.839 10.709 ( -9.285 0.000 -1.141) 9.355 11.327 ( -0.424 0.000 1.415) 1.477 11.357 ( 0.640 0.000 -1.580) 1.705 11.396 ( -0.575 0.000 1.006) 1.159 11.412 ( 0.184 0.000 -0.648) 0.674 11.523 ( 1.338 0.000 0.783) 1.550 11.540 ( -1.078 0.000 -1.057) 1.510 11.592 ( 1.573 0.000 2.217) 2.718 11.641 ( -2.587 0.000 -2.687) 3.730 11.711 ( 1.905 0.000 0.858) 2.089 11.722 ( -1.254 0.000 -0.292) 1.287 11.794 ( 4.494 0.000 1.232) 4.659 11.817 ( -4.044 0.000 -1.044) 4.177 11.868 ( 1.195 0.000 1.626) 2.018 11.903 ( -0.526 0.000 -1.868) 1.941 11.985 ( 0.847 0.000 -0.001) 0.847 11.989 ( -1.851 0.000 -0.393) 1.892 ======================= Grid point 51 (26/39) ======================= q-point: ( 0.20 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 1.693 0.000 -3.349) 3.752 0.701 ( 2.909 0.000 3.580) 4.613 0.746 ( -4.258 0.000 -4.664) 6.315 0.783 ( -0.895 0.000 -3.057) 3.186 0.789 ( -1.667 0.000 -4.292) 4.604 0.885 ( 1.832 0.000 1.910) 2.647 0.926 ( -2.173 0.000 -0.485) 2.227 0.954 ( 5.313 0.000 -5.300) 7.504 1.025 ( 0.528 0.000 0.319) 0.617 1.027 ( -0.061 0.000 -0.863) 0.865 1.046 ( -2.485 0.000 1.564) 2.936 1.113 ( -0.537 0.000 -1.837) 1.914 1.160 ( -0.981 0.000 -4.389) 4.497 1.211 ( -6.821 0.000 -1.489) 6.982 1.248 ( -0.313 0.000 -0.637) 0.710 1.328 ( -4.001 0.000 -0.416) 4.023 1.416 ( -2.134 0.000 -5.071) 5.502 1.475 ( -1.346 0.000 1.762) 2.217 1.520 ( -3.213 0.000 -0.590) 3.267 1.548 ( -3.521 0.000 2.091) 4.095 1.649 ( 9.189 0.000 8.430) 12.470 1.708 ( 14.248 0.000 9.280) 17.004 1.725 ( 12.092 0.000 7.088) 14.016 1.787 ( 1.081 0.000 -2.170) 2.425 1.858 ( 6.000 0.000 3.436) 6.914 1.877 ( 3.008 0.000 2.633) 3.998 1.909 ( 3.191 0.000 1.425) 3.494 1.980 ( 4.988 0.000 -1.476) 5.202 2.019 ( -0.990 0.000 -1.987) 2.220 2.027 ( -0.718 0.000 -1.515) 1.676 2.110 ( -0.679 0.000 -0.418) 0.797 2.124 ( -0.592 0.000 0.673) 0.896 2.167 ( -4.030 0.000 -3.879) 5.594 2.171 ( -3.041 0.000 -1.053) 3.218 2.218 ( -1.144 0.000 -0.136) 1.152 2.221 ( -1.555 0.000 2.579) 3.011 2.253 ( -0.009 0.000 3.293) 3.293 2.291 ( 3.012 0.000 -2.691) 4.038 2.305 ( 5.890 0.000 -0.582) 5.919 2.371 ( -0.384 0.000 -0.154) 0.414 2.452 ( -8.137 0.000 2.411) 8.487 2.495 ( -0.673 0.000 -4.506) 4.556 2.607 ( -1.333 0.000 0.240) 1.355 2.681 ( 0.463 0.000 -5.293) 5.313 2.697 ( -1.162 0.000 1.074) 1.582 2.725 ( -7.701 0.000 -4.448) 8.894 2.772 ( -2.462 0.000 -9.566) 9.878 2.790 ( -5.500 0.000 6.352) 8.402 2.845 ( 3.138 0.000 0.109) 3.140 2.874 ( 1.193 0.000 -4.464) 4.621 2.955 ( -3.061 0.000 5.139) 5.981 2.968 ( 0.001 0.000 -1.490) 1.490 3.023 ( -1.172 0.000 3.445) 3.639 3.053 ( 3.504 0.000 -1.596) 3.850 3.157 ( -0.552 0.000 -2.004) 2.079 3.182 ( -2.298 0.000 1.659) 2.834 3.250 ( -0.141 0.000 0.127) 0.189 3.293 ( 5.021 0.000 -0.600) 5.057 3.316 ( -2.710 0.000 0.598) 2.775 3.367 ( -0.419 0.000 -4.389) 4.409 3.426 ( -1.618 0.000 3.084) 3.483 3.453 ( -1.987 0.000 -0.498) 2.049 3.522 ( -2.859 0.000 0.335) 2.878 3.544 ( -1.151 0.000 -1.990) 2.299 3.619 ( 4.391 0.000 3.497) 5.614 3.657 ( 1.864 0.000 2.861) 3.414 3.718 ( -1.405 0.000 4.607) 4.816 3.782 ( 1.293 0.000 -0.809) 1.526 3.783 ( -0.650 0.000 -2.629) 2.709 3.866 ( 3.648 0.000 -0.957) 3.771 4.129 ( -1.906 0.000 -1.390) 2.359 4.152 ( -0.594 0.000 0.151) 0.613 4.277 ( -4.277 0.000 -1.888) 4.675 4.289 ( -2.945 0.000 -0.718) 3.032 4.488 ( 1.622 0.000 2.643) 3.101 4.542 ( 4.223 0.000 0.046) 4.223 4.635 ( -0.658 0.000 -2.047) 2.150 4.642 ( -1.972 0.000 1.050) 2.234 4.718 ( 0.117 0.000 0.600) 0.611 4.829 ( 3.824 0.000 1.053) 3.967 4.911 ( 0.700 0.000 -3.036) 3.115 4.951 ( 1.321 0.000 6.517) 6.650 4.968 ( -4.167 0.000 1.827) 4.550 5.029 ( -0.931 0.000 0.520) 1.067 5.038 ( -0.373 0.000 -0.447) 0.582 5.061 ( 1.099 0.000 -3.539) 3.706 5.153 ( -2.308 0.000 1.549) 2.780 5.219 ( 0.792 0.000 -2.654) 2.770 5.519 ( -0.846 0.000 2.717) 2.846 5.520 ( 0.511 0.000 -0.358) 0.624 5.741 ( -0.576 0.000 2.603) 2.666 5.800 ( 2.334 0.000 -0.859) 2.487 6.029 ( -0.425 0.000 0.388) 0.576 6.080 ( 1.051 0.000 -0.358) 1.111 6.157 ( -0.822 0.000 0.337) 0.888 6.164 ( -1.230 0.000 -0.036) 1.231 9.109 ( -1.652 0.000 0.126) 1.657 9.130 ( -1.027 0.000 0.062) 1.028 9.249 ( -0.007 0.000 -0.977) 0.977 9.255 ( 0.546 0.000 0.011) 0.546 9.297 ( -0.333 0.000 -0.249) 0.416 9.303 ( -3.823 0.000 -1.706) 4.186 9.349 ( 0.478 0.000 -0.297) 0.563 9.443 ( 0.452 0.000 -1.660) 1.720 9.695 ( -0.087 0.000 0.398) 0.407 9.717 ( -0.790 0.000 -0.194) 0.814 9.722 ( 0.906 0.000 0.137) 0.917 9.784 ( 1.486 0.000 0.503) 1.569 9.859 ( -1.739 0.000 -0.991) 2.002 9.878 ( -1.264 0.000 -0.756) 1.473 10.006 ( 3.580 0.000 2.579) 4.412 10.009 ( 2.400 0.000 1.740) 2.965 10.077 ( -1.047 0.000 -0.652) 1.234 10.090 ( -0.209 0.000 0.332) 0.393 10.100 ( -2.564 0.000 -1.484) 2.963 10.132 ( -4.017 0.000 -1.559) 4.308 10.147 ( 0.408 0.000 0.332) 0.526 10.242 ( -2.322 0.000 -1.608) 2.825 10.357 ( 1.748 0.000 1.915) 2.593 10.376 ( 3.187 0.000 3.194) 4.512 10.402 ( 1.914 0.000 -0.926) 2.126 10.421 ( -0.032 0.000 -2.118) 2.119 10.428 ( -2.179 0.000 -1.375) 2.577 10.445 ( 0.206 0.000 0.093) 0.226 10.504 ( -1.211 0.000 -1.127) 1.654 10.526 ( 1.633 0.000 -0.455) 1.695 10.619 ( 2.482 0.000 -0.990) 2.672 10.947 ( 12.822 0.000 -4.189) 13.489 11.327 ( -1.112 0.000 1.220) 1.650 11.340 ( -0.648 0.000 -1.749) 1.865 11.394 ( -0.576 0.000 0.743) 0.941 11.404 ( -0.386 0.000 -0.191) 0.431 11.509 ( -0.977 0.000 -0.395) 1.054 11.553 ( -0.648 0.000 -1.121) 1.295 11.578 ( 0.399 0.000 0.367) 0.542 11.639 ( -0.413 0.000 2.384) 2.420 11.678 ( -2.377 0.000 -1.137) 2.635 11.726 ( -1.714 0.000 -0.794) 1.889 11.744 ( -0.375 0.000 -0.406) 0.552 11.861 ( -0.522 0.000 -2.213) 2.274 11.887 ( 2.956 0.000 0.296) 2.971 11.896 ( 0.187 0.000 1.359) 1.372 11.961 ( -1.192 0.000 0.835) 1.456 12.002 ( 0.239 0.000 0.550) 0.600 ======================= Grid point 52 (27/39) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 6.474 0.000 -4.722) 8.013 0.659 ( 15.229 0.000 0.099) 15.229 0.782 ( 1.490 0.000 1.227) 1.930 0.786 ( -9.766 0.000 -2.141) 9.998 0.889 ( -1.128 0.000 0.935) 1.465 0.901 ( -0.809 0.000 5.055) 5.119 0.919 ( 1.557 0.000 1.584) 2.221 0.987 ( 3.417 0.000 -1.279) 3.648 1.003 ( 4.274 0.000 5.961) 7.335 1.050 ( 2.967 0.000 -2.254) 3.726 1.102 ( 5.476 0.000 0.759) 5.529 1.132 ( -1.632 0.000 -0.704) 1.778 1.202 ( 7.991 0.000 1.910) 8.216 1.208 ( 4.948 0.000 4.656) 6.794 1.291 ( 2.177 0.000 -0.314) 2.200 1.304 ( 2.218 0.000 3.103) 3.814 1.403 ( 0.154 0.000 1.022) 1.033 1.446 ( -3.979 0.000 0.328) 3.992 1.456 ( -0.430 0.000 2.670) 2.704 1.601 ( 3.359 0.000 3.441) 4.809 1.616 ( -12.623 0.000 -9.095) 15.558 1.682 ( -3.026 0.000 -2.554) 3.959 1.723 ( -9.458 0.000 -6.607) 11.538 1.801 ( -3.396 0.000 -5.651) 6.593 1.804 ( -6.889 0.000 -4.590) 8.278 1.885 ( -5.235 0.000 -4.267) 6.754 1.928 ( -4.917 0.000 -2.748) 5.633 1.992 ( -2.125 0.000 -2.198) 3.057 2.045 ( 0.675 0.000 0.859) 1.093 2.064 ( 1.326 0.000 1.541) 2.033 2.103 ( 4.356 0.000 -0.096) 4.357 2.105 ( 0.356 0.000 -2.308) 2.335 2.146 ( 0.143 0.000 1.685) 1.691 2.196 ( -0.895 0.000 -0.840) 1.228 2.212 ( 1.231 0.000 2.771) 3.032 2.234 ( 0.120 0.000 -1.113) 1.119 2.271 ( -0.096 0.000 2.663) 2.664 2.296 ( 1.274 0.000 -1.312) 1.829 2.299 ( -4.352 0.000 0.801) 4.425 2.342 ( 0.445 0.000 -0.619) 0.762 2.442 ( 6.051 0.000 4.600) 7.601 2.559 ( 6.236 0.000 0.621) 6.267 2.610 ( 0.296 0.000 -5.335) 5.344 2.628 ( 3.926 0.000 0.323) 3.940 2.677 ( -2.688 0.000 0.410) 2.719 2.713 ( 3.579 0.000 -4.748) 5.946 2.726 ( 1.169 0.000 8.089) 8.173 2.764 ( -0.617 0.000 6.836) 6.864 2.830 ( 0.666 0.000 -3.271) 3.338 2.915 ( 4.283 0.000 -3.224) 5.361 2.962 ( 1.764 0.000 -0.931) 1.995 2.977 ( -0.533 0.000 3.788) 3.826 3.031 ( -0.667 0.000 5.060) 5.104 3.103 ( 1.012 0.000 -0.640) 1.197 3.133 ( 0.038 0.000 0.443) 0.445 3.204 ( 2.004 0.000 2.150) 2.939 3.224 ( -3.136 0.000 0.078) 3.137 3.269 ( -1.766 0.000 -4.355) 4.699 3.285 ( -0.670 0.000 -0.398) 0.779 3.355 ( 0.235 0.000 -4.454) 4.461 3.406 ( -2.514 0.000 2.453) 3.512 3.423 ( -1.206 0.000 2.128) 2.446 3.504 ( -0.795 0.000 2.435) 2.561 3.538 ( 3.499 0.000 -0.202) 3.504 3.670 ( -1.205 0.000 -1.658) 2.049 3.673 ( -2.808 0.000 0.831) 2.929 3.688 ( -4.151 0.000 0.022) 4.151 3.782 ( 1.469 0.000 -0.977) 1.764 3.784 ( 1.079 0.000 -3.741) 3.893 3.805 ( -5.579 0.000 -4.728) 7.313 4.103 ( 1.270 0.000 -0.340) 1.315 4.120 ( -1.507 0.000 -0.943) 1.777 4.207 ( -0.571 0.000 0.524) 0.775 4.288 ( 0.603 0.000 0.883) 1.069 4.531 ( 1.105 0.000 2.890) 3.094 4.608 ( 0.571 0.000 0.054) 0.573 4.610 ( -2.791 0.000 0.675) 2.871 4.614 ( 2.000 0.000 -1.634) 2.583 4.722 ( -0.069 0.000 0.589) 0.593 4.828 ( -2.571 0.000 -3.210) 4.113 4.890 ( 0.732 0.000 -3.315) 3.394 4.892 ( -4.952 0.000 1.428) 5.154 5.030 ( -0.574 0.000 5.277) 5.308 5.036 ( 0.550 0.000 1.550) 1.645 5.045 ( 1.004 0.000 0.406) 1.083 5.080 ( 3.685 0.000 -1.642) 4.034 5.151 ( -0.584 0.000 2.936) 2.994 5.215 ( 1.569 0.000 -2.294) 2.779 5.518 ( -1.744 0.000 2.003) 2.656 5.528 ( 0.709 0.000 -0.645) 0.959 5.760 ( -0.621 0.000 2.831) 2.898 5.820 ( 0.747 0.000 -1.383) 1.572 6.042 ( 0.505 0.000 1.410) 1.497 6.080 ( 0.067 0.000 -0.480) 0.485 6.138 ( -0.899 0.000 -0.243) 0.931 6.145 ( -0.859 0.000 -0.340) 0.924 9.097 ( -0.434 0.000 0.610) 0.749 9.111 ( -0.789 0.000 -0.143) 0.802 9.242 ( 0.953 0.000 -0.147) 0.964 9.261 ( -0.226 0.000 -0.211) 0.309 9.294 ( 2.599 0.000 2.440) 3.565 9.305 ( 1.125 0.000 0.764) 1.360 9.357 ( 0.094 0.000 -0.746) 0.752 9.429 ( 0.189 0.000 -2.038) 2.047 9.709 ( 0.538 0.000 0.768) 0.938 9.725 ( 0.420 0.000 0.198) 0.465 9.737 ( 0.942 0.000 0.881) 1.290 9.792 ( -0.332 0.000 -0.615) 0.699 9.848 ( 0.863 0.000 0.513) 1.004 9.869 ( 0.172 0.000 0.056) 0.181 9.998 ( -4.017 0.000 -2.367) 4.663 10.007 ( -3.508 0.000 -2.221) 4.152 10.060 ( 1.469 0.000 0.790) 1.668 10.074 ( 2.005 0.000 0.920) 2.206 10.097 ( -0.743 0.000 0.289) 0.797 10.140 ( 3.370 0.000 2.864) 4.423 10.146 ( -1.217 0.000 -0.647) 1.378 10.232 ( 1.705 0.000 0.721) 1.851 10.326 ( -2.525 0.000 -1.978) 3.208 10.372 ( -3.570 0.000 -1.841) 4.017 10.423 ( 1.528 0.000 0.862) 1.754 10.460 ( 1.692 0.000 0.979) 1.955 10.476 ( 0.005 0.000 0.802) 0.802 10.482 ( 3.242 0.000 2.978) 4.403 10.530 ( -0.007 0.000 -1.291) 1.291 10.536 ( 6.278 0.000 5.948) 8.648 10.648 ( 1.012 0.000 -2.224) 2.443 11.027 ( 3.678 0.000 -12.022) 12.572 11.297 ( -1.820 0.000 -0.245) 1.836 11.311 ( -1.273 0.000 0.294) 1.307 11.391 ( -0.357 0.000 0.388) 0.528 11.397 ( -0.104 0.000 -0.217) 0.241 11.503 ( 0.066 0.000 1.040) 1.042 11.530 ( 0.012 0.000 0.313) 0.313 11.600 ( -0.822 0.000 -1.273) 1.515 11.608 ( -2.738 0.000 0.028) 2.738 11.641 ( 1.070 0.000 0.429) 1.153 11.702 ( -0.688 0.000 -1.061) 1.265 11.748 ( 0.508 0.000 0.593) 0.781 11.813 ( -1.259 0.000 -2.590) 2.880 11.912 ( 0.045 0.000 1.474) 1.475 11.934 ( 1.603 0.000 -0.111) 1.607 11.959 ( -0.283 0.000 1.116) 1.151 11.996 ( -0.801 0.000 -0.327) 0.865 ======================= Grid point 53 (28/39) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -11.376 0.000 3.325) 11.852 0.685 ( -14.902 0.000 0.849) 14.927 0.766 ( 6.448 0.000 0.267) 6.453 0.811 ( -4.259 0.000 -1.528) 4.525 0.910 ( 0.119 0.000 -1.617) 1.622 0.943 ( -6.219 0.000 0.908) 6.285 0.967 ( -2.008 0.000 -3.363) 3.916 0.969 ( 8.034 0.000 -1.814) 8.236 1.028 ( -7.374 0.000 -1.100) 7.456 1.103 ( -2.952 0.000 -0.595) 3.012 1.121 ( 2.209 0.000 -0.359) 2.238 1.138 ( -6.500 0.000 -5.816) 8.722 1.226 ( 0.067 0.000 2.457) 2.458 1.252 ( -9.437 0.000 -2.540) 9.772 1.342 ( 5.041 0.000 2.102) 5.461 1.344 ( 0.859 0.000 -3.026) 3.146 1.389 ( 7.298 0.000 2.209) 7.625 1.423 ( -2.251 0.000 -0.002) 2.251 1.509 ( 2.661 0.000 2.427) 3.601 1.516 ( 4.139 0.000 0.632) 4.187 1.600 ( 4.576 0.000 6.074) 7.604 1.612 ( 1.856 0.000 -1.176) 2.197 1.694 ( 3.057 0.000 3.084) 4.342 1.705 ( -0.113 0.000 -4.396) 4.398 1.739 ( 0.944 0.000 0.338) 1.003 1.818 ( 5.610 0.000 2.224) 6.034 1.905 ( 3.674 0.000 6.037) 7.067 1.917 ( 1.632 0.000 -1.315) 2.096 2.032 ( -2.234 0.000 2.352) 3.244 2.046 ( -2.857 0.000 -0.908) 2.998 2.088 ( -2.246 0.000 1.054) 2.481 2.103 ( -2.126 0.000 -0.648) 2.223 2.158 ( 1.363 0.000 2.862) 3.170 2.192 ( 4.639 0.000 -0.589) 4.676 2.202 ( -1.177 0.000 -0.982) 1.533 2.230 ( -0.003 0.000 -0.337) 0.337 2.286 ( -2.067 0.000 1.360) 2.474 2.323 ( -0.161 0.000 -2.302) 2.307 2.339 ( 2.704 0.000 0.573) 2.764 2.350 ( 0.990 0.000 -2.556) 2.741 2.534 ( -6.432 0.000 -3.733) 7.437 2.534 ( -5.864 0.000 -0.918) 5.936 2.580 ( -0.141 0.000 1.760) 1.766 2.637 ( -7.169 0.000 3.645) 8.042 2.643 ( 0.875 0.000 -2.236) 2.401 2.694 ( 0.212 0.000 -1.330) 1.347 2.752 ( -0.421 0.000 2.789) 2.820 2.845 ( 1.953 0.000 -2.163) 2.914 2.880 ( -1.841 0.000 2.145) 2.827 2.887 ( -1.085 0.000 -7.284) 7.364 2.950 ( -0.823 0.000 0.552) 0.991 3.016 ( 3.938 0.000 -0.716) 4.003 3.084 ( -2.357 0.000 0.478) 2.405 3.100 ( 1.047 0.000 -2.297) 2.524 3.154 ( 1.870 0.000 6.874) 7.124 3.181 ( -2.530 0.000 -2.766) 3.749 3.232 ( -2.561 0.000 -0.564) 2.622 3.265 ( -0.562 0.000 -3.272) 3.320 3.268 ( 2.037 0.000 3.690) 4.215 3.308 ( 4.554 0.000 -2.298) 5.101 3.428 ( 1.806 0.000 0.934) 2.033 3.443 ( 1.551 0.000 -1.467) 2.134 3.550 ( -4.693 0.000 -0.907) 4.780 3.561 ( -2.943 0.000 -3.354) 4.462 3.579 ( 4.178 0.000 6.819) 7.997 3.657 ( 5.931 0.000 0.505) 5.953 3.686 ( 0.047 0.000 3.600) 3.600 3.726 ( 1.472 0.000 -1.550) 2.138 3.767 ( 0.211 0.000 -0.717) 0.748 3.798 ( 2.961 0.000 -1.176) 3.186 4.100 ( -0.100 0.000 -0.162) 0.190 4.115 ( 1.348 0.000 -0.336) 1.390 4.242 ( -2.532 0.000 -2.964) 3.898 4.283 ( 3.117 0.000 1.244) 3.356 4.576 ( -0.051 0.000 1.807) 1.808 4.593 ( 0.137 0.000 -2.197) 2.201 4.601 ( -0.696 0.000 1.645) 1.786 4.623 ( 0.154 0.000 -1.541) 1.549 4.742 ( -1.597 0.000 -1.686) 2.322 4.749 ( 1.801 0.000 3.859) 4.258 4.840 ( -2.160 0.000 2.152) 3.049 4.913 ( 3.855 0.000 -0.808) 3.939 5.032 ( -3.488 0.000 2.598) 4.349 5.051 ( -0.863 0.000 0.553) 1.025 5.054 ( -0.228 0.000 -0.584) 0.627 5.109 ( 1.182 0.000 -2.310) 2.595 5.165 ( -1.236 0.000 2.666) 2.938 5.216 ( 1.038 0.000 -3.201) 3.365 5.508 ( -1.090 0.000 1.371) 1.752 5.541 ( 1.640 0.000 -0.206) 1.653 5.781 ( -0.302 0.000 2.752) 2.768 5.810 ( 0.420 0.000 -2.045) 2.088 6.063 ( 0.055 0.000 1.269) 1.270 6.070 ( -0.764 0.000 -1.351) 1.552 6.134 ( 0.697 0.000 0.157) 0.715 6.140 ( 1.045 0.000 0.156) 1.057 9.104 ( 0.580 0.000 0.564) 0.809 9.104 ( 0.303 0.000 -0.105) 0.321 9.244 ( -0.838 0.000 -0.319) 0.897 9.259 ( 0.806 0.000 -0.022) 0.807 9.325 ( -1.766 0.000 -1.218) 2.145 9.337 ( 0.563 0.000 0.969) 1.121 9.380 ( 1.362 0.000 2.899) 3.203 9.381 ( -2.467 0.000 -5.375) 5.914 9.718 ( -0.548 0.000 -0.163) 0.571 9.722 ( 0.141 0.000 0.407) 0.430 9.758 ( -1.885 0.000 -1.078) 2.172 9.777 ( 0.966 0.000 1.080) 1.449 9.864 ( -1.144 0.000 -1.121) 1.602 9.871 ( -0.104 0.000 -0.288) 0.306 9.962 ( 1.942 0.000 1.118) 2.240 9.967 ( 2.594 0.000 1.584) 3.040 10.071 ( -1.508 0.000 -0.352) 1.548 10.095 ( -1.399 0.000 -0.778) 1.601 10.098 ( 0.454 0.000 -0.289) 0.538 10.130 ( 2.266 0.000 0.971) 2.465 10.200 ( -3.793 0.000 -3.086) 4.889 10.231 ( 1.210 0.000 1.565) 1.979 10.299 ( -1.020 0.000 0.186) 1.036 10.338 ( 3.427 0.000 1.703) 3.827 10.440 ( -2.241 0.000 -0.919) 2.422 10.461 ( 0.983 0.000 0.705) 1.210 10.503 ( -0.819 0.000 -2.027) 2.186 10.507 ( 0.950 0.000 0.943) 1.339 10.553 ( -3.312 0.000 -3.953) 5.157 10.558 ( 0.631 0.000 3.255) 3.315 10.781 ( 3.132 0.000 11.767) 12.177 10.803 ( -9.013 0.000 -18.354) 20.447 11.299 ( 0.136 0.000 -0.006) 0.136 11.304 ( 1.485 0.000 1.211) 1.916 11.391 ( -0.122 0.000 0.429) 0.446 11.398 ( 0.501 0.000 -0.296) 0.582 11.521 ( -0.118 0.000 1.030) 1.037 11.525 ( -0.872 0.000 -1.020) 1.342 11.581 ( 0.222 0.000 0.627) 0.666 11.599 ( 2.344 0.000 1.172) 2.621 11.664 ( -1.156 0.000 -1.921) 2.242 11.682 ( 1.726 0.000 0.608) 1.830 11.768 ( -1.043 0.000 -1.529) 1.850 11.776 ( 1.308 0.000 1.305) 1.847 11.922 ( -0.944 0.000 1.076) 1.431 11.938 ( -0.105 0.000 -1.051) 1.056 11.978 ( -0.180 0.000 -0.793) 0.813 11.981 ( 1.116 0.000 1.280) 1.698 ======================= Grid point 54 (29/39) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 0.350 0.000 14.134) 14.139 0.461 ( -6.035 0.000 10.079) 11.748 0.740 ( -1.274 0.000 0.460) 1.355 0.740 ( -12.123 0.000 11.352) 16.608 0.834 ( -6.578 0.000 -6.692) 9.383 0.865 ( -0.413 0.000 2.161) 2.200 0.927 ( 0.166 0.000 -0.753) 0.771 0.935 ( -1.045 0.000 -2.629) 2.829 1.004 ( 0.533 0.000 -0.505) 0.734 1.075 ( -0.527 0.000 0.303) 0.608 1.078 ( 1.487 0.000 0.892) 1.734 1.133 ( 1.893 0.000 -2.001) 2.754 1.150 ( 3.183 0.000 2.772) 4.221 1.156 ( -5.925 0.000 -8.256) 10.162 1.282 ( -2.169 0.000 -2.714) 3.474 1.289 ( 3.218 0.000 4.065) 5.184 1.360 ( -1.585 0.000 -0.984) 1.866 1.516 ( 2.447 0.000 -2.411) 3.435 1.517 ( 1.579 0.000 -0.010) 1.579 1.620 ( 2.953 0.000 -5.574) 6.308 1.693 ( 2.880 0.000 4.304) 5.179 1.741 ( 1.724 0.000 -0.198) 1.735 1.810 ( -0.029 0.000 1.453) 1.453 1.812 ( -0.188 0.000 1.663) 1.674 1.883 ( 3.146 0.000 -0.279) 3.159 1.915 ( -2.057 0.000 -1.099) 2.332 1.958 ( 1.717 0.000 1.819) 2.501 1.963 ( -2.318 0.000 0.903) 2.488 2.007 ( -6.550 0.000 -4.394) 7.887 2.011 ( -2.932 0.000 0.379) 2.956 2.066 ( 1.912 0.000 2.459) 3.115 2.091 ( -0.290 0.000 2.340) 2.358 2.096 ( -0.205 0.000 -0.755) 0.782 2.177 ( -3.349 0.000 0.605) 3.403 2.205 ( 1.310 0.000 1.995) 2.387 2.255 ( -0.561 0.000 2.062) 2.137 2.284 ( 1.685 0.000 -2.842) 3.304 2.314 ( -0.173 0.000 -2.872) 2.877 2.319 ( -5.525 0.000 -1.593) 5.750 2.353 ( 0.630 0.000 1.590) 1.710 2.421 ( 7.797 0.000 2.342) 8.141 2.459 ( -4.783 0.000 -2.273) 5.295 2.565 ( 1.996 0.000 8.663) 8.890 2.602 ( 0.872 0.000 3.725) 3.826 2.604 ( -2.319 0.000 4.108) 4.718 2.706 ( 0.377 0.000 -3.637) 3.656 2.740 ( 0.094 0.000 -3.862) 3.863 2.764 ( -0.215 0.000 4.901) 4.906 2.832 ( -2.578 0.000 1.813) 3.152 2.898 ( 4.601 0.000 -3.964) 6.073 2.939 ( -1.002 0.000 1.642) 1.923 3.042 ( -4.127 0.000 0.139) 4.129 3.052 ( 2.585 0.000 -3.647) 4.470 3.093 ( 1.733 0.000 -4.426) 4.753 3.141 ( 0.836 0.000 -0.671) 1.072 3.197 ( 0.380 0.000 0.692) 0.789 3.261 ( -0.195 0.000 -0.644) 0.672 3.277 ( 0.033 0.000 3.012) 3.012 3.292 ( 0.806 0.000 1.020) 1.300 3.336 ( 3.399 0.000 -2.416) 4.170 3.434 ( -1.147 0.000 1.056) 1.559 3.473 ( 1.818 0.000 -1.088) 2.119 3.517 ( -0.416 0.000 1.034) 1.115 3.542 ( 1.452 0.000 -0.993) 1.759 3.684 ( -3.620 0.000 -2.987) 4.693 3.696 ( 1.058 0.000 -0.243) 1.086 3.741 ( 1.183 0.000 2.216) 2.512 3.743 ( 2.864 0.000 0.748) 2.960 3.792 ( 1.808 0.000 -2.314) 2.937 3.855 ( 1.461 0.000 0.603) 1.580 4.108 ( 1.576 0.000 0.375) 1.620 4.155 ( 2.209 0.000 -0.235) 2.221 4.244 ( 3.020 0.000 1.206) 3.252 4.293 ( 0.482 0.000 -0.853) 0.979 4.543 ( -3.703 0.000 -0.053) 3.704 4.544 ( -0.838 0.000 -3.210) 3.317 4.602 ( -0.177 0.000 1.368) 1.379 4.650 ( 0.927 0.000 0.176) 0.944 4.725 ( 0.394 0.000 -0.075) 0.401 4.825 ( -0.783 0.000 2.196) 2.331 4.848 ( -0.408 0.000 2.798) 2.828 4.982 ( -3.107 0.000 3.894) 4.982 4.985 ( 3.209 0.000 -0.235) 3.217 5.034 ( -0.398 0.000 0.027) 0.399 5.049 ( 1.066 0.000 -1.242) 1.637 5.069 ( -1.375 0.000 -4.922) 5.111 5.169 ( -1.063 0.000 2.465) 2.685 5.195 ( 1.368 0.000 -2.834) 3.147 5.504 ( -0.777 0.000 1.177) 1.410 5.574 ( 1.482 0.000 -2.384) 2.807 5.789 ( -1.775 0.000 0.312) 1.802 5.793 ( 0.347 0.000 -2.497) 2.521 6.039 ( -0.520 0.000 -0.688) 0.862 6.069 ( -0.701 0.000 0.721) 1.005 6.163 ( 0.959 0.000 -0.225) 0.985 6.164 ( 1.483 0.000 0.085) 1.485 9.113 ( 0.700 0.000 -0.343) 0.780 9.125 ( 0.804 0.000 0.555) 0.977 9.231 ( 0.303 0.000 0.595) 0.667 9.260 ( -0.349 0.000 -0.551) 0.652 9.273 ( 0.259 0.000 0.485) 0.550 9.293 ( -0.284 0.000 0.145) 0.319 9.341 ( -0.707 0.000 0.458) 0.842 9.411 ( -0.152 0.000 1.607) 1.615 9.707 ( -0.079 0.000 -0.644) 0.649 9.717 ( -0.409 0.000 -0.141) 0.432 9.726 ( -0.673 0.000 -0.253) 0.719 9.785 ( -0.433 0.000 0.317) 0.537 9.848 ( 0.578 0.000 0.081) 0.584 9.872 ( 0.253 0.000 0.015) 0.253 10.025 ( -0.560 0.000 0.276) 0.625 10.042 ( -0.393 0.000 -0.026) 0.394 10.065 ( 2.741 0.000 1.220) 3.000 10.066 ( 1.544 0.000 0.361) 1.586 10.099 ( -1.011 0.000 -0.887) 1.345 10.117 ( 0.394 0.000 -0.009) 0.394 10.155 ( -0.191 0.000 -0.540) 0.573 10.214 ( 0.219 0.000 1.070) 1.092 10.359 ( 2.482 0.000 1.636) 2.972 10.401 ( -0.447 0.000 0.847) 0.958 10.403 ( -1.993 0.000 -0.858) 2.169 10.422 ( -5.441 0.000 -2.453) 5.968 10.425 ( -3.432 0.000 -1.637) 3.802 10.467 ( -1.755 0.000 -3.183) 3.635 10.487 ( -0.369 0.000 0.364) 0.518 10.529 ( 0.052 0.000 -0.658) 0.661 10.587 ( -2.032 0.000 2.131) 2.944 10.853 ( -5.954 0.000 5.629) 8.194 11.314 ( 0.458 0.000 1.024) 1.122 11.345 ( 1.820 0.000 -0.401) 1.863 11.394 ( -0.277 0.000 0.842) 0.887 11.407 ( 0.880 0.000 -0.566) 1.046 11.507 ( -0.080 0.000 -0.144) 0.165 11.532 ( 0.930 0.000 0.816) 1.237 11.589 ( -0.942 0.000 -0.483) 1.058 11.659 ( 2.059 0.000 0.559) 2.134 11.673 ( 3.233 0.000 -0.552) 3.279 11.710 ( 1.163 0.000 0.666) 1.340 11.741 ( -0.693 0.000 -0.246) 0.735 11.821 ( 1.622 0.000 1.612) 2.287 11.891 ( -2.844 0.000 0.025) 2.844 11.924 ( -0.006 0.000 -1.352) 1.352 11.975 ( 0.566 0.000 -0.638) 0.853 12.011 ( 0.651 0.000 -0.178) 0.675 ======================= Grid point 55 (30/39) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -1.046 0.157 10.496) 10.549 0.696 ( 0.717 0.171 -2.227) 2.346 0.708 ( -0.646 1.085 6.108) 6.237 0.783 ( 1.108 -0.532 1.127) 1.667 0.807 ( -1.939 -3.551 -0.393) 4.065 0.846 ( 4.853 2.326 -1.460) 5.576 0.947 ( 0.057 -2.275 0.243) 2.289 0.981 ( 0.757 1.541 0.059) 1.718 1.059 ( 7.462 2.628 6.433) 10.197 1.083 ( 8.998 1.537 5.436) 10.624 1.098 ( 0.313 0.114 -0.354) 0.486 1.126 ( 0.602 0.067 0.858) 1.050 1.142 ( 3.028 -1.677 -0.746) 3.541 1.263 ( 8.032 -1.959 5.961) 10.192 1.348 ( 1.872 1.503 -0.306) 2.420 1.389 ( -0.128 1.798 0.595) 1.899 1.396 ( -7.022 -0.281 -4.155) 8.164 1.419 ( -9.133 1.107 -7.191) 11.677 1.507 ( -1.352 -2.226 -0.213) 2.613 1.533 ( -6.781 -1.328 -5.481) 8.820 1.577 ( -0.437 0.738 -0.826) 1.191 1.610 ( -4.675 -0.625 -3.548) 5.902 1.685 ( 5.751 0.499 -0.329) 5.782 1.721 ( -6.821 0.029 -1.968) 7.099 1.783 ( -2.824 -0.424 -1.339) 3.154 1.816 ( -4.502 -0.236 -3.294) 5.584 1.893 ( -1.333 1.166 0.512) 1.843 1.914 ( 1.228 0.545 -1.343) 1.900 2.017 ( 0.184 -0.260 3.384) 3.399 2.052 ( 1.766 0.636 0.713) 2.007 2.081 ( 0.329 -1.470 1.590) 2.190 2.102 ( -0.307 -0.930 -0.363) 1.044 2.191 ( -1.756 0.068 3.304) 3.742 2.200 ( 1.308 -0.940 0.807) 1.801 2.221 ( -0.119 0.582 0.381) 0.706 2.241 ( 2.427 -0.379 2.663) 3.623 2.255 ( 1.168 0.117 -2.433) 2.702 2.294 ( 0.128 1.640 -1.643) 2.325 2.318 ( -3.261 0.933 -0.772) 3.479 2.332 ( 1.901 0.129 -1.652) 2.522 2.534 ( 2.596 2.113 4.778) 5.834 2.581 ( 1.870 -0.506 3.175) 3.720 2.617 ( -1.166 2.360 -0.224) 2.642 2.644 ( 0.802 0.116 -1.474) 1.682 2.716 ( 1.858 1.650 6.535) 6.991 2.742 ( 0.261 -0.878 1.657) 1.894 2.787 ( 0.510 0.577 1.786) 1.945 2.838 ( 0.198 2.149 -0.218) 2.169 2.893 ( 3.640 -0.155 2.244) 4.279 2.935 ( -1.940 1.286 1.084) 2.567 2.945 ( 4.551 -0.310 -2.413) 5.161 2.960 ( -0.469 1.444 -0.993) 1.814 3.022 ( -3.464 -0.070 -1.851) 3.929 3.060 ( 0.410 -0.285 -4.221) 4.250 3.164 ( 1.018 -1.585 0.790) 2.043 3.190 ( -0.391 -1.961 -0.425) 2.044 3.210 ( 0.607 -2.864 1.360) 3.228 3.241 ( -0.155 -2.651 -2.051) 3.355 3.299 ( 2.708 -0.378 1.566) 3.151 3.363 ( -3.549 -1.418 -4.061) 5.577 3.472 ( 2.254 0.955 2.553) 3.537 3.488 ( 1.514 2.041 2.741) 3.738 3.515 ( -1.640 1.086 -0.649) 2.071 3.575 ( -0.394 1.329 -2.577) 2.926 3.600 ( 1.597 -0.647 -0.066) 1.724 3.633 ( -1.662 -2.015 1.591) 3.059 3.697 ( -6.039 -2.162 -1.198) 6.525 3.749 ( -0.010 -3.280 -2.774) 4.296 3.804 ( 0.463 1.301 -0.532) 1.480 3.823 ( 1.032 0.578 -1.571) 1.966 4.135 ( 0.352 -0.554 1.094) 1.276 4.153 ( -0.401 -1.153 -0.691) 1.402 4.330 ( 2.872 0.470 1.559) 3.301 4.346 ( 0.901 0.538 -0.100) 1.054 4.461 ( -3.412 -0.154 -0.591) 3.466 4.481 ( 0.175 -0.742 -2.382) 2.501 4.637 ( 1.137 0.559 2.243) 2.576 4.669 ( -0.328 0.235 -0.651) 0.766 4.726 ( 2.278 -0.745 1.651) 2.910 4.766 ( -3.610 0.197 -2.144) 4.203 4.866 ( -0.187 -0.665 3.557) 3.623 4.934 ( -1.457 -2.111 -2.935) 3.898 5.002 ( -1.071 0.860 2.267) 2.650 5.036 ( 1.263 0.229 -1.131) 1.711 5.070 ( 0.707 2.138 1.016) 2.471 5.091 ( -0.089 1.975 -0.950) 2.194 5.186 ( -0.797 1.112 2.150) 2.548 5.222 ( 1.984 0.312 -1.451) 2.478 5.503 ( -0.298 -0.078 1.206) 1.245 5.525 ( -1.012 -0.749 -0.830) 1.508 5.746 ( -1.717 0.368 1.183) 2.118 5.782 ( 0.553 0.041 -2.514) 2.575 6.060 ( 1.208 1.195 0.132) 1.704 6.061 ( -1.324 1.225 0.022) 1.804 6.166 ( 0.298 -0.692 -0.039) 0.754 6.168 ( -0.431 -0.635 -0.173) 0.787 9.135 ( -0.532 0.004 0.389) 0.659 9.136 ( 0.478 -0.023 0.313) 0.572 9.247 ( 0.313 0.414 0.420) 0.668 9.256 ( 0.249 0.160 -0.537) 0.613 9.309 ( 1.600 0.324 0.838) 1.835 9.322 ( -1.264 0.586 -0.453) 1.465 9.394 ( -2.342 -1.176 0.432) 2.656 9.394 ( 5.088 -2.040 0.578) 5.512 9.707 ( -0.001 0.405 0.169) 0.439 9.712 ( -0.007 0.408 -0.234) 0.470 9.737 ( 1.339 -0.067 0.434) 1.409 9.751 ( -1.777 -0.582 -0.775) 2.024 9.890 ( 2.387 0.116 1.392) 2.766 9.899 ( 1.532 -0.059 0.961) 1.809 9.958 ( -2.287 -0.430 -1.516) 2.777 9.970 ( -3.359 -0.402 -2.245) 4.061 10.082 ( 0.403 0.377 1.053) 1.189 10.099 ( -0.212 0.534 -0.754) 0.948 10.120 ( 1.188 -0.583 1.079) 1.707 10.138 ( -0.556 -0.482 -0.817) 1.100 10.231 ( 5.021 0.657 2.100) 5.482 10.260 ( -1.331 0.424 0.301) 1.429 10.301 ( -1.698 -0.180 0.537) 1.790 10.344 ( -2.674 -1.026 -2.508) 3.807 10.398 ( 1.841 0.253 1.102) 2.161 10.416 ( 0.707 0.205 -0.192) 0.760 10.460 ( 2.174 -0.319 0.320) 2.220 10.473 ( 3.366 0.439 1.231) 3.611 10.488 ( -1.139 -0.132 -1.015) 1.531 10.493 ( -1.770 -0.161 -1.473) 2.308 10.656 ( 9.094 -1.651 2.440) 9.560 10.690 ( -7.696 -1.908 -1.110) 8.006 11.328 ( -0.478 0.174 1.544) 1.625 11.351 ( 0.073 -0.452 -0.436) 0.632 11.402 ( -0.272 0.502 0.220) 0.612 11.415 ( 0.114 0.177 -0.789) 0.817 11.529 ( 1.278 0.726 0.942) 1.746 11.551 ( -0.756 1.001 -1.240) 1.764 11.587 ( 1.288 -0.529 1.894) 2.351 11.629 ( -2.461 -1.173 -2.201) 3.504 11.719 ( 1.710 0.769 0.726) 2.011 11.728 ( -1.096 0.716 -0.261) 1.335 11.791 ( 4.090 -0.201 1.645) 4.413 11.819 ( -3.347 -0.308 -1.130) 3.546 11.875 ( 1.058 0.914 0.955) 1.693 11.904 ( -0.665 0.139 -1.719) 1.849 11.972 ( -1.041 -1.438 -0.059) 1.776 11.974 ( 0.234 -1.317 -0.259) 1.362 ======================= Grid point 56 (31/39) ======================= q-point: ( 0.20 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 1.982 0.609 -3.161) 3.781 0.670 ( 4.161 -1.428 1.574) 4.672 0.764 ( -0.600 -0.944 0.189) 1.135 0.797 ( 1.970 1.871 3.610) 4.518 0.806 ( -4.063 1.584 -11.523) 12.321 0.837 ( -1.773 -1.513 -4.097) 4.713 0.962 ( 1.778 0.210 0.750) 1.941 0.977 ( 0.734 2.918 -4.609) 5.504 1.016 ( 3.215 0.553 4.690) 5.713 1.024 ( -2.876 0.144 -2.746) 3.979 1.076 ( -1.115 0.906 -1.122) 1.823 1.122 ( -0.600 0.907 -1.566) 1.907 1.146 ( 0.218 -0.604 -2.309) 2.396 1.220 ( -0.962 -2.898 -2.086) 3.698 1.237 ( -5.733 2.434 -0.548) 6.252 1.350 ( -4.688 2.018 -0.797) 5.165 1.391 ( -3.772 -2.077 -4.388) 6.148 1.455 ( -1.131 -2.071 0.461) 2.404 1.517 ( -2.634 -0.310 0.627) 2.725 1.543 ( -3.653 -0.480 2.342) 4.366 1.653 ( 8.632 0.431 7.842) 11.670 1.713 ( 12.968 -1.029 7.901) 15.221 1.714 ( 12.441 0.541 7.595) 14.586 1.781 ( 2.288 -0.976 -1.070) 2.707 1.873 ( 6.501 1.727 4.095) 7.875 1.898 ( 4.823 1.916 3.780) 6.420 1.917 ( 1.901 0.819 0.735) 2.197 1.978 ( 4.154 -0.306 -1.157) 4.323 2.007 ( -1.403 -0.587 -1.404) 2.070 2.045 ( 0.021 1.088 -1.780) 2.087 2.099 ( 0.252 -2.171 0.344) 2.213 2.114 ( 0.680 -0.385 -0.048) 0.783 2.140 ( -4.996 -1.584 -3.615) 6.367 2.166 ( -4.810 -0.319 -2.835) 5.592 2.217 ( -1.737 0.117 1.887) 2.567 2.237 ( -0.465 0.329 -0.644) 0.860 2.258 ( -0.637 0.524 1.715) 1.903 2.293 ( 3.936 0.495 -1.435) 4.218 2.313 ( 4.257 0.707 0.390) 4.333 2.379 ( 0.203 0.272 0.706) 0.783 2.464 ( -7.622 2.036 -0.934) 7.944 2.514 ( -1.769 1.698 -3.760) 4.489 2.620 ( -1.530 1.143 1.170) 2.240 2.653 ( -2.143 -1.267 -0.748) 2.600 2.696 ( -2.850 -0.597 -1.062) 3.099 2.761 ( -3.013 -0.356 2.214) 3.756 2.784 ( -4.131 0.998 -6.426) 7.705 2.795 ( -3.320 4.167 -1.023) 5.425 2.838 ( 3.876 -1.522 -2.641) 4.931 2.878 ( -0.942 1.968 -2.648) 3.431 2.964 ( -0.055 -0.126 -0.981) 0.991 2.999 ( -1.254 2.828 0.522) 3.137 3.013 ( 0.005 -0.632 2.968) 3.034 3.048 ( 1.025 -0.688 -0.382) 1.292 3.151 ( 0.270 -0.497 -0.612) 0.833 3.169 ( -1.752 -1.196 1.009) 2.349 3.234 ( 0.241 -2.616 -0.945) 2.792 3.242 ( -0.712 -5.550 -0.351) 5.607 3.306 ( 3.673 1.017 -0.812) 3.897 3.374 ( -0.276 0.374 1.237) 1.322 3.428 ( -3.198 -0.415 -1.755) 3.672 3.454 ( -2.820 0.321 -0.447) 2.873 3.515 ( -1.039 -0.730 1.204) 1.750 3.556 ( -1.630 -0.251 0.308) 1.678 3.586 ( 1.350 -0.025 1.496) 2.016 3.686 ( 3.881 0.708 2.599) 4.724 3.716 ( 1.129 -1.545 1.667) 2.538 3.748 ( -0.922 0.228 0.530) 1.088 3.809 ( 0.454 0.646 -0.706) 1.059 3.843 ( 2.721 -2.066 -1.482) 3.724 4.118 ( -1.803 -0.888 -0.736) 2.140 4.144 ( -1.002 -0.946 0.083) 1.380 4.274 ( -3.782 -0.133 -1.579) 4.100 4.289 ( -3.963 -0.157 -0.769) 4.040 4.490 ( 2.083 0.284 2.123) 2.987 4.539 ( 4.145 -0.412 0.029) 4.166 4.637 ( -0.361 0.498 -1.100) 1.260 4.653 ( -1.470 0.905 0.422) 1.777 4.719 ( 0.308 0.354 -0.160) 0.495 4.815 ( 2.752 -1.498 1.409) 3.436 4.897 ( 0.348 -1.201 -1.749) 2.151 4.917 ( -0.321 -2.553 4.315) 5.024 4.986 ( -1.449 1.946 1.358) 2.780 5.035 ( -0.131 0.544 -0.570) 0.799 5.072 ( 0.054 1.164 -2.132) 2.430 5.075 ( -0.879 2.238 0.861) 2.554 5.170 ( -1.906 1.639 0.916) 2.675 5.220 ( 0.503 0.013 -2.493) 2.543 5.508 ( -0.450 -0.607 1.011) 1.262 5.520 ( 0.141 -0.269 0.692) 0.756 5.748 ( -0.295 0.649 2.345) 2.451 5.796 ( 2.058 -0.465 -0.570) 2.185 6.046 ( -0.245 1.739 0.436) 1.810 6.089 ( 0.975 0.918 -0.272) 1.367 6.148 ( -1.051 -0.916 0.241) 1.415 6.160 ( -1.092 -0.589 0.070) 1.242 9.111 ( -1.572 0.233 0.123) 1.594 9.129 ( -1.073 -0.193 0.070) 1.092 9.252 ( -0.062 0.247 -0.951) 0.984 9.257 ( 0.455 0.169 -0.157) 0.510 9.294 ( -1.164 -0.199 -0.687) 1.366 9.307 ( -3.144 0.093 -1.488) 3.480 9.350 ( 1.173 0.313 -0.076) 1.216 9.432 ( 0.672 -1.223 -1.406) 1.981 9.699 ( -0.148 0.391 0.156) 0.446 9.719 ( -0.478 0.048 -0.038) 0.482 9.728 ( 0.784 0.628 0.146) 1.015 9.777 ( 1.459 -0.706 0.427) 1.676 9.860 ( -1.726 0.128 -0.965) 1.981 9.875 ( -1.340 -0.278 -0.766) 1.569 10.002 ( 3.588 -0.063 2.543) 4.398 10.013 ( 3.004 0.136 2.224) 3.740 10.078 ( -1.254 0.174 -0.890) 1.547 10.093 ( -0.376 0.311 0.209) 0.531 10.098 ( -2.273 -0.152 -1.441) 2.696 10.123 ( -1.997 -0.617 -0.634) 2.184 10.164 ( -1.604 1.420 -0.615) 2.228 10.237 ( -2.444 -0.596 -1.623) 2.993 10.356 ( 2.092 0.029 2.101) 2.965 10.375 ( 3.301 -0.138 3.089) 4.523 10.402 ( 1.606 0.038 -1.103) 1.948 10.418 ( -0.269 -0.356 -2.263) 2.306 10.434 ( -2.159 0.610 -1.324) 2.605 10.447 ( 0.072 0.264 0.364) 0.455 10.499 ( -1.035 -0.457 -1.099) 1.577 10.517 ( 1.524 -0.880 -0.182) 1.769 10.635 ( 3.359 1.850 -0.885) 3.935 10.897 ( 11.920 -5.149 -3.123) 13.355 11.329 ( -1.052 0.112 1.260) 1.645 11.336 ( -0.976 -0.190 -0.882) 1.329 11.397 ( -0.542 0.283 0.399) 0.730 11.412 ( -0.037 0.634 -0.017) 0.635 11.515 ( -1.260 0.538 -0.554) 1.478 11.547 ( -1.700 -0.545 -1.081) 2.087 11.582 ( 1.208 0.537 0.869) 1.582 11.639 ( 0.594 -0.296 2.070) 2.174 11.684 ( -2.471 0.597 -1.002) 2.733 11.719 ( -2.733 -0.633 -1.337) 3.108 11.754 ( 0.025 1.145 -0.497) 1.248 11.862 ( -0.475 -1.141 -1.894) 2.262 11.882 ( 2.370 0.688 0.601) 2.540 11.901 ( 0.407 0.504 1.096) 1.273 11.951 ( -1.000 -1.012 0.872) 1.668 11.988 ( 0.404 -1.437 0.300) 1.522 ======================= Grid point 57 (32/39) ======================= q-point: ( 0.40 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 5.201 1.787 -3.646) 6.598 0.680 ( 10.471 1.318 -0.974) 10.598 0.766 ( -1.603 -1.062 0.317) 1.949 0.778 ( 0.367 0.253 -1.070) 1.159 0.837 ( -0.141 -4.191 -0.129) 4.196 0.915 ( 1.680 -0.206 0.273) 1.714 0.950 ( -1.969 3.732 3.511) 5.489 0.993 ( 0.809 0.780 -0.651) 1.299 1.007 ( 3.235 0.300 4.366) 5.442 1.065 ( 3.276 1.275 -1.181) 3.708 1.115 ( 4.203 1.038 1.322) 4.527 1.149 ( 2.952 -0.106 0.591) 3.012 1.176 ( 3.846 -0.329 1.393) 4.104 1.228 ( 4.460 1.610 4.316) 6.412 1.268 ( 0.506 -2.705 -2.074) 3.446 1.313 ( 4.512 0.159 2.777) 5.301 1.381 ( 1.718 -1.880 1.610) 3.013 1.412 ( -2.593 -1.087 0.968) 2.973 1.481 ( -2.065 0.782 2.023) 2.995 1.572 ( -0.597 -1.596 1.489) 2.263 1.637 ( -9.517 1.213 -4.654) 10.663 1.696 ( -4.367 0.871 -3.930) 5.939 1.726 ( -8.253 0.435 -6.197) 10.330 1.781 ( -4.170 -0.921 -4.910) 6.507 1.834 ( -5.048 2.138 -4.431) 7.049 1.908 ( -4.949 2.173 -3.823) 6.621 1.928 ( -4.814 -0.058 -2.489) 5.420 2.001 ( -2.202 0.852 -1.759) 2.944 2.032 ( 0.031 -1.030 -0.412) 1.110 2.076 ( 1.757 -0.130 0.786) 1.929 2.088 ( 0.927 -0.850 -0.187) 1.272 2.104 ( 2.683 -0.381 -0.417) 2.742 2.151 ( 1.882 0.383 1.477) 2.423 2.163 ( -1.868 -1.405 -0.991) 2.538 2.197 ( 1.931 -1.068 3.469) 4.111 2.240 ( 1.554 -0.450 -0.780) 1.796 2.272 ( 0.513 0.175 2.528) 2.586 2.312 ( -2.249 0.875 -2.319) 3.347 2.333 ( -0.908 2.473 -1.269) 2.924 2.345 ( -1.122 0.789 0.187) 1.384 2.432 ( 5.814 -0.255 4.531) 7.375 2.550 ( 2.801 -2.788 1.722) 4.311 2.605 ( 4.250 2.409 -0.720) 4.938 2.637 ( 1.334 0.088 -2.998) 3.283 2.696 ( -2.138 1.377 1.141) 2.787 2.719 ( 2.321 -0.508 2.718) 3.610 2.758 ( 4.488 2.947 0.225) 5.373 2.767 ( -3.728 2.890 3.754) 6.028 2.854 ( 3.155 2.077 -0.482) 3.808 2.902 ( 3.803 -1.803 -2.353) 4.822 2.958 ( 0.590 -0.306 0.070) 0.668 2.989 ( -2.502 -0.280 1.513) 2.937 3.037 ( 1.225 1.732 3.907) 4.446 3.069 ( 2.263 -3.176 -0.451) 3.926 3.147 ( -0.846 1.072 -0.345) 1.408 3.181 ( -1.486 -5.002 -1.600) 5.458 3.191 ( 1.159 -0.956 1.799) 2.344 3.248 ( -0.362 -2.133 -0.775) 2.298 3.286 ( -3.116 0.883 -1.037) 3.401 3.350 ( 0.877 -0.215 -2.843) 2.983 3.414 ( -2.769 0.839 3.063) 4.214 3.436 ( 0.671 0.629 0.331) 0.978 3.523 ( 1.817 0.171 1.952) 2.672 3.539 ( 0.343 0.940 -0.498) 1.118 3.602 ( -1.449 -2.688 1.114) 3.251 3.680 ( -4.951 -0.657 -1.573) 5.236 3.699 ( -1.682 -2.721 -2.736) 4.209 3.735 ( -0.965 -0.985 -5.510) 5.680 3.800 ( -2.913 0.732 0.316) 3.020 3.826 ( 0.669 1.357 -1.452) 2.096 4.093 ( 0.184 -0.804 -0.217) 0.853 4.110 ( -1.429 -1.029 -0.835) 1.949 4.215 ( 0.055 0.817 0.819) 1.158 4.281 ( 1.093 -0.798 1.352) 1.913 4.533 ( 1.045 0.257 2.142) 2.397 4.598 ( 1.611 -1.031 -0.124) 1.916 4.624 ( -1.296 1.689 -0.379) 2.162 4.633 ( -0.493 1.630 -0.446) 1.760 4.717 ( 0.047 -0.395 -0.024) 0.398 4.804 ( -2.699 -2.218 -2.690) 4.410 4.873 ( -1.764 -0.916 0.039) 1.988 4.900 ( -1.802 -0.361 -0.781) 1.997 5.022 ( 0.772 0.563 3.385) 3.518 5.045 ( 0.576 1.010 1.178) 1.655 5.071 ( -0.161 1.199 1.053) 1.604 5.085 ( 2.504 0.402 -0.887) 2.687 5.167 ( -0.405 1.446 2.185) 2.651 5.214 ( 1.566 -0.089 -2.077) 2.603 5.510 ( -0.729 -0.528 1.228) 1.522 5.524 ( 0.083 -0.389 -0.206) 0.448 5.769 ( -0.449 0.797 2.500) 2.662 5.817 ( 0.751 -0.388 -1.008) 1.315 6.058 ( 0.201 1.533 1.262) 1.995 6.087 ( -0.097 0.671 -0.332) 0.755 6.133 ( -0.560 -0.515 -0.311) 0.822 6.140 ( -0.879 -0.615 -0.210) 1.093 9.099 ( -0.432 0.170 0.537) 0.710 9.110 ( -0.722 -0.103 -0.068) 0.732 9.246 ( 0.913 0.362 -0.146) 0.993 9.262 ( -0.026 0.102 -0.203) 0.229 9.293 ( 2.302 -0.126 1.933) 3.009 9.304 ( 1.228 -0.121 0.932) 1.546 9.358 ( -0.073 0.252 -0.883) 0.921 9.420 ( 0.060 -0.973 -1.985) 2.211 9.711 ( 0.711 0.330 0.734) 1.074 9.731 ( 0.673 0.529 0.474) 0.978 9.738 ( 0.477 0.130 0.438) 0.660 9.785 ( -0.317 -0.665 -0.622) 0.964 9.850 ( 0.838 0.134 0.537) 1.004 9.866 ( 0.327 -0.290 0.191) 0.477 9.992 ( -3.932 -0.297 -2.388) 4.610 10.007 ( -3.970 -0.218 -2.389) 4.639 10.067 ( 1.466 0.616 0.780) 1.771 10.076 ( 1.926 0.212 0.892) 2.133 10.101 ( -0.572 0.383 0.336) 0.766 10.128 ( 0.791 -0.658 0.966) 1.411 10.165 ( 1.416 1.408 1.268) 2.366 10.229 ( 1.867 -0.395 0.924) 2.121 10.329 ( -2.578 0.379 -1.964) 3.263 10.367 ( -3.324 -0.561 -1.865) 3.853 10.426 ( 1.465 0.399 0.771) 1.703 10.459 ( 1.651 -0.202 1.142) 2.017 10.474 ( 0.322 -0.150 0.680) 0.767 10.483 ( 3.227 0.080 2.965) 4.383 10.519 ( 1.176 -0.851 0.493) 1.533 10.532 ( 4.503 -0.587 4.002) 6.053 10.664 ( 0.582 1.962 -3.246) 3.837 10.966 ( 2.103 -6.133 -10.791) 12.589 11.302 ( -1.463 0.536 0.275) 1.582 11.316 ( -1.050 0.336 0.283) 1.138 11.395 ( -0.052 0.523 0.457) 0.696 11.408 ( -0.239 0.985 -0.187) 1.030 11.502 ( -0.116 -0.054 0.877) 0.887 11.522 ( -0.111 -0.684 0.439) 0.820 11.603 ( -1.126 0.458 -0.660) 1.383 11.620 ( -2.485 0.883 -0.876) 2.779 11.644 ( 1.092 0.384 0.527) 1.272 11.692 ( -0.015 -1.066 -0.744) 1.300 11.757 ( 0.403 0.942 0.305) 1.069 11.815 ( -1.373 0.003 -2.277) 2.659 11.913 ( 0.031 0.127 1.309) 1.316 11.929 ( 1.398 -0.373 0.084) 1.449 11.952 ( -0.173 -0.713 1.025) 1.261 11.985 ( -0.548 -1.127 -0.397) 1.315 ======================= Grid point 58 (33/39) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -9.152 3.069 3.048) 10.123 0.699 ( -11.340 0.551 -1.105) 11.407 0.752 ( 2.662 -1.126 0.703) 2.975 0.802 ( -1.620 -0.681 -1.585) 2.367 0.852 ( -0.538 -4.407 -1.248) 4.612 0.935 ( -3.228 -1.699 -1.821) 4.077 0.965 ( 0.381 0.906 0.505) 1.105 0.995 ( 4.596 1.931 -1.292) 5.150 1.049 ( -8.907 2.149 -2.259) 9.437 1.127 ( -1.635 1.186 -0.804) 2.174 1.138 ( -3.610 1.099 -3.656) 5.254 1.142 ( -2.121 1.510 -1.539) 3.024 1.213 ( -0.099 -1.510 2.121) 2.606 1.240 ( -8.808 -0.929 -3.172) 9.408 1.335 ( 0.485 -0.714 -1.952) 2.135 1.343 ( 0.672 -0.314 -0.862) 1.138 1.375 ( 7.983 -0.952 3.968) 8.965 1.410 ( -2.421 -1.149 -1.230) 2.949 1.460 ( 3.266 -2.138 2.784) 4.795 1.518 ( 8.834 -1.879 4.255) 9.984 1.629 ( 1.737 1.513 1.372) 2.681 1.641 ( 1.767 3.552 1.033) 4.099 1.690 ( -0.248 -0.069 1.275) 1.301 1.720 ( 0.544 1.173 -3.769) 3.985 1.763 ( 1.917 2.319 1.581) 3.399 1.830 ( 6.045 1.182 2.911) 6.812 1.895 ( 2.266 -0.889 3.691) 4.421 1.916 ( 3.204 -0.293 1.380) 3.501 2.040 ( -2.902 0.710 0.478) 3.026 2.055 ( -1.095 0.482 1.694) 2.074 2.086 ( -2.337 0.026 0.239) 2.350 2.089 ( -1.700 -1.141 0.565) 2.124 2.151 ( 1.197 -2.018 -0.369) 2.375 2.187 ( 0.079 0.079 3.009) 3.011 2.196 ( 0.448 0.256 -2.428) 2.482 2.232 ( 0.489 0.262 -0.730) 0.917 2.292 ( -1.865 0.597 0.878) 2.146 2.324 ( -0.286 0.013 -2.005) 2.025 2.346 ( 0.634 -0.178 -1.117) 1.296 2.354 ( 1.940 0.694 -0.471) 2.113 2.511 ( -4.740 -0.301 -2.336) 5.293 2.545 ( -0.524 -1.026 0.636) 1.316 2.589 ( -4.197 2.225 0.363) 4.764 2.631 ( -2.571 0.392 -1.519) 3.012 2.702 ( -2.860 3.280 -0.227) 4.358 2.725 ( -1.791 1.994 0.049) 2.681 2.737 ( 2.026 1.297 2.471) 3.448 2.849 ( 0.891 -0.482 -2.950) 3.119 2.863 ( -2.295 0.633 -0.771) 2.503 2.902 ( -3.539 -0.639 -0.547) 3.637 2.967 ( 3.291 0.113 -0.214) 3.300 3.003 ( 2.146 -1.266 -0.706) 2.590 3.066 ( -3.587 -1.355 -0.268) 3.844 3.094 ( 0.515 -0.246 -2.078) 2.155 3.128 ( 1.754 -1.444 2.875) 3.665 3.175 ( 2.127 -1.696 -1.665) 3.190 3.223 ( -0.762 -1.067 -1.029) 1.667 3.252 ( -2.160 0.347 0.840) 2.343 3.286 ( 2.141 -0.040 -0.802) 2.287 3.305 ( 2.700 0.577 -1.079) 2.964 3.430 ( 1.348 0.250 1.496) 2.029 3.456 ( 0.303 0.525 -1.697) 1.802 3.530 ( -3.645 -2.018 0.266) 4.175 3.565 ( -1.544 0.549 -0.658) 1.766 3.578 ( 2.886 0.221 3.430) 4.488 3.629 ( -0.912 -3.916 1.951) 4.470 3.658 ( 6.572 -0.278 0.352) 6.587 3.692 ( 2.518 -2.844 -1.847) 4.223 3.802 ( 0.541 2.425 1.012) 2.683 3.819 ( 1.476 1.513 -1.116) 2.390 4.090 ( 0.146 -0.945 0.097) 0.961 4.101 ( 1.226 -1.261 -0.064) 1.760 4.254 ( -2.259 1.148 -2.895) 3.848 4.287 ( 2.422 0.309 0.843) 2.583 4.578 ( -0.020 -0.709 1.635) 1.782 4.585 ( -0.586 -0.720 -1.325) 1.618 4.612 ( -0.882 0.634 -0.559) 1.221 4.628 ( 1.220 1.913 0.233) 2.281 4.724 ( -1.413 -1.581 -0.055) 2.121 4.749 ( 2.085 -0.466 1.644) 2.696 4.843 ( -1.912 0.547 2.074) 2.873 4.904 ( 2.952 -0.873 -0.531) 3.124 5.043 ( -2.059 1.080 1.879) 2.990 5.059 ( -0.479 0.718 0.151) 0.876 5.066 ( -0.953 0.970 -0.265) 1.385 5.105 ( 0.860 -0.451 -1.490) 1.779 5.173 ( -1.395 0.866 1.949) 2.548 5.217 ( 0.787 0.064 -2.638) 2.754 5.506 ( -0.893 -0.050 1.039) 1.371 5.530 ( 0.935 -0.927 -0.121) 1.322 5.783 ( -0.711 0.379 2.087) 2.237 5.815 ( 0.975 0.188 -1.598) 1.882 6.072 ( -0.010 0.949 0.985) 1.368 6.082 ( -0.218 1.186 -1.017) 1.577 6.127 ( 0.423 -0.640 0.242) 0.805 6.137 ( 1.083 -0.355 0.034) 1.140 9.104 ( 0.464 0.052 0.363) 0.591 9.105 ( 0.355 0.050 0.074) 0.366 9.248 ( -0.764 0.436 -0.366) 0.952 9.261 ( 0.646 0.170 -0.052) 0.670 9.324 ( -1.946 -0.100 -1.414) 2.407 9.337 ( 0.682 0.007 1.181) 1.364 9.368 ( -2.712 -1.198 -4.786) 5.630 9.373 ( 1.433 -0.667 2.660) 3.095 9.722 ( -0.780 0.450 -0.304) 0.951 9.728 ( 0.182 0.562 0.459) 0.748 9.755 ( -1.577 -0.317 -0.888) 1.837 9.771 ( 0.779 -0.633 0.959) 1.389 9.866 ( -1.125 0.171 -1.127) 1.601 9.872 ( -0.306 0.057 -0.456) 0.552 9.955 ( 1.937 -0.474 1.132) 2.293 9.964 ( 2.985 -0.408 1.777) 3.498 10.077 ( -1.445 0.560 -0.299) 1.579 10.094 ( -1.588 -0.067 -0.789) 1.774 10.104 ( 0.793 0.525 -0.126) 0.960 10.126 ( 1.892 -0.298 0.675) 2.031 10.210 ( -3.446 0.963 -2.682) 4.472 10.236 ( 0.434 0.465 0.914) 1.113 10.299 ( -0.358 0.087 0.487) 0.611 10.332 ( 3.187 -0.605 1.703) 3.663 10.442 ( -2.213 0.257 -0.821) 2.374 10.464 ( 1.026 0.319 0.676) 1.270 10.494 ( -0.988 -0.937 -1.779) 2.240 10.501 ( 0.899 -0.593 0.653) 1.260 10.561 ( -3.496 0.898 -3.942) 5.344 10.569 ( 0.769 1.244 3.179) 3.500 10.742 ( -5.034 -4.431 -4.620) 8.144 10.754 ( -1.056 -3.826 0.841) 4.057 11.301 ( -0.047 0.473 0.862) 0.985 11.314 ( 1.147 0.518 0.271) 1.287 11.402 ( 0.106 0.914 0.069) 0.922 11.405 ( 0.527 0.795 -0.174) 0.969 11.517 ( -0.021 -0.353 0.826) 0.898 11.519 ( -0.660 -0.505 -0.645) 1.052 11.588 ( 0.351 0.682 0.817) 1.120 11.606 ( 2.101 0.541 0.659) 2.267 11.667 ( -0.856 0.240 -1.750) 1.963 11.679 ( 1.274 -0.206 0.201) 1.306 11.773 ( -0.915 0.472 -1.365) 1.710 11.783 ( 1.514 0.533 1.092) 1.941 11.920 ( -0.895 -0.100 0.850) 1.239 11.936 ( 0.073 -0.119 -0.887) 0.898 11.967 ( 0.068 -1.068 0.201) 1.089 11.973 ( 0.612 -0.847 0.228) 1.069 ======================= Grid point 59 (34/39) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -4.380 4.143 9.021) 10.850 0.531 ( -1.782 6.683 10.634) 12.686 0.718 ( -2.256 -0.956 -0.215) 2.460 0.794 ( -4.360 1.891 5.394) 7.189 0.807 ( -1.765 -4.634 0.435) 4.978 0.846 ( -6.582 1.235 -5.308) 8.546 0.887 ( -3.388 -0.021 1.396) 3.664 0.963 ( 3.077 -0.365 2.187) 3.793 0.992 ( -1.821 -1.277 -0.620) 2.309 1.065 ( -1.652 -0.562 -0.227) 1.759 1.096 ( -0.262 0.915 0.204) 0.973 1.130 ( 3.545 -0.363 -1.837) 4.010 1.143 ( -1.372 0.933 -0.943) 1.909 1.187 ( -3.509 0.935 -3.653) 5.151 1.275 ( -1.439 -0.374 -2.791) 3.162 1.286 ( 4.142 -0.135 4.272) 5.952 1.361 ( -0.334 0.390 -0.854) 0.997 1.452 ( 1.808 -3.496 0.749) 4.006 1.553 ( 2.188 0.647 -2.914) 3.701 1.610 ( 2.736 -0.687 -4.358) 5.191 1.706 ( 0.864 0.957 1.965) 2.350 1.742 ( 1.332 0.109 -0.225) 1.355 1.812 ( 0.175 0.163 1.481) 1.500 1.820 ( 0.333 0.873 1.452) 1.727 1.872 ( 2.191 -0.088 2.062) 3.010 1.948 ( -0.919 1.608 -1.385) 2.313 1.956 ( 0.268 0.320 1.552) 1.607 1.969 ( -2.170 0.576 0.420) 2.284 1.999 ( -4.712 -0.592 -2.822) 5.524 2.008 ( -2.500 -0.666 1.253) 2.875 2.060 ( -0.903 -0.099 0.579) 1.077 2.076 ( 0.683 -1.267 1.039) 1.775 2.097 ( -1.233 0.095 -0.435) 1.311 2.172 ( -2.835 -0.940 -1.028) 3.159 2.193 ( 1.937 -0.816 3.688) 4.245 2.250 ( 0.166 -0.219 -0.505) 0.575 2.271 ( -1.940 -1.631 0.244) 2.547 2.307 ( 1.010 -0.815 -1.446) 1.943 2.326 ( -2.006 1.079 0.196) 2.286 2.378 ( 1.015 1.606 0.402) 1.941 2.422 ( 3.953 1.174 1.466) 4.377 2.472 ( -3.516 0.640 -1.430) 3.849 2.585 ( 2.181 2.708 6.019) 6.951 2.613 ( 1.188 1.066 3.330) 3.693 2.655 ( -1.296 4.172 3.533) 5.619 2.738 ( -0.365 0.342 -2.760) 2.805 2.741 ( 1.923 -0.111 1.314) 2.332 2.762 ( -1.308 3.485 0.020) 3.723 2.835 ( -1.148 0.384 1.202) 1.706 2.886 ( 3.406 -1.585 -3.608) 5.209 2.947 ( -1.522 0.359 1.263) 2.010 3.014 ( -0.680 -1.749 -1.517) 2.413 3.060 ( 0.941 -2.039 -2.283) 3.202 3.087 ( 0.984 1.697 -2.345) 3.058 3.147 ( 0.913 0.195 -0.407) 1.019 3.164 ( -0.433 -3.394 1.035) 3.574 3.232 ( 1.206 -3.276 -1.381) 3.754 3.264 ( 0.270 -1.930 -1.328) 2.358 3.286 ( -1.065 1.705 0.981) 2.237 3.366 ( 4.540 2.050 0.097) 4.983 3.424 ( -1.240 -1.184 0.706) 1.854 3.462 ( 1.138 -0.831 -1.559) 2.101 3.521 ( 0.226 -0.049 0.780) 0.814 3.565 ( 1.386 1.860 -0.928) 2.498 3.634 ( -1.933 -4.752 3.909) 6.449 3.645 ( 0.801 -2.396 -3.374) 4.215 3.760 ( 2.483 1.571 -0.016) 2.938 3.767 ( 2.990 0.868 1.821) 3.607 3.792 ( -1.257 0.047 -2.142) 2.484 3.844 ( 0.338 -0.959 -0.727) 1.250 4.105 ( 1.444 -0.326 0.487) 1.558 4.141 ( 1.890 -1.418 0.232) 2.374 4.251 ( 3.030 0.674 0.594) 3.160 4.294 ( 1.548 -0.043 -1.055) 1.873 4.536 ( -1.682 -0.591 -1.965) 2.653 4.546 ( -2.803 -0.020 -1.310) 3.094 4.611 ( -0.572 0.869 1.373) 1.723 4.655 ( 0.122 0.420 0.355) 0.564 4.716 ( 0.286 -0.278 0.235) 0.463 4.819 ( 0.609 -1.247 1.004) 1.713 4.850 ( -0.832 0.813 2.719) 2.957 4.957 ( 1.635 -2.199 0.292) 2.756 5.013 ( -2.215 1.226 0.870) 2.677 5.027 ( -0.265 1.531 -0.900) 1.796 5.052 ( 0.163 0.281 -1.027) 1.077 5.097 ( 0.342 1.256 -1.132) 1.725 5.171 ( -0.824 0.334 2.178) 2.352 5.199 ( 1.090 0.283 -1.965) 2.265 5.502 ( -0.608 -0.128 0.885) 1.081 5.547 ( 0.659 -1.908 -0.984) 2.245 5.775 ( -1.570 -0.096 0.412) 1.626 5.814 ( 0.451 0.366 -2.846) 2.905 6.058 ( -0.545 1.683 -0.739) 1.917 6.080 ( -0.613 1.098 0.598) 1.392 6.151 ( 1.288 -0.941 -0.053) 1.596 6.162 ( 1.147 -0.477 -0.139) 1.250 9.114 ( 0.758 0.121 -0.206) 0.795 9.124 ( 0.808 -0.124 0.504) 0.961 9.234 ( 0.212 0.370 0.484) 0.645 9.258 ( -0.337 -0.193 -0.444) 0.590 9.274 ( 0.158 0.113 0.455) 0.494 9.292 ( -0.205 -0.141 0.242) 0.347 9.344 ( -0.728 0.395 0.434) 0.935 9.403 ( -0.204 -0.840 1.463) 1.699 9.704 ( -0.353 0.052 -0.319) 0.479 9.722 ( -0.632 0.341 -0.297) 0.777 9.731 ( -0.303 0.304 -0.151) 0.455 9.778 ( -0.528 -0.736 0.271) 0.945 9.849 ( 0.554 0.164 0.071) 0.582 9.869 ( 0.317 -0.318 0.044) 0.451 10.033 ( 0.282 0.674 0.218) 0.763 10.045 ( -0.815 0.273 -0.292) 0.908 10.064 ( 2.504 -0.109 1.169) 2.766 10.067 ( 1.252 0.069 0.044) 1.255 10.100 ( -0.987 0.156 -0.810) 1.286 10.116 ( 0.153 -0.129 -0.115) 0.231 10.162 ( -0.005 0.773 -0.330) 0.841 10.211 ( 0.205 -0.376 0.894) 0.991 10.360 ( 2.068 0.119 1.460) 2.534 10.392 ( -1.242 -0.858 0.234) 1.528 10.408 ( 0.099 0.462 0.890) 1.008 10.419 ( -5.023 -0.283 -2.302) 5.532 10.425 ( -3.914 0.067 -1.847) 4.328 10.469 ( -0.761 -0.156 -2.130) 2.267 10.486 ( -0.938 0.147 -0.336) 1.007 10.524 ( 0.031 -0.480 -0.830) 0.959 10.602 ( -2.084 1.743 2.366) 3.603 10.817 ( -5.288 -3.669 4.949) 8.119 11.316 ( 0.251 0.315 1.216) 1.281 11.343 ( 1.012 -0.316 0.197) 1.078 11.403 ( 0.146 0.516 -0.156) 0.559 11.416 ( 0.655 0.828 -0.550) 1.190 11.508 ( 0.193 0.208 0.080) 0.295 11.528 ( 1.122 -0.315 0.684) 1.351 11.599 ( -0.863 1.035 -0.758) 1.546 11.663 ( 1.953 0.353 0.276) 2.003 11.678 ( 2.478 0.361 -0.759) 2.617 11.689 ( 1.418 -1.605 1.348) 2.531 11.750 ( -0.607 1.001 -0.195) 1.187 11.828 ( 1.458 -0.040 1.275) 1.938 11.892 ( -2.142 0.546 -0.316) 2.233 11.925 ( -0.051 0.179 -1.233) 1.247 11.966 ( 0.525 -0.936 -0.671) 1.266 11.992 ( 0.153 -1.777 0.070) 1.785 ======================= Grid point 60 (35/39) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 0.521 3.557 5.293) 6.399 0.645 ( 0.927 -3.636 -0.527) 3.789 0.724 ( 0.157 -0.578 -1.119) 1.269 0.741 ( 0.667 -2.004 -1.885) 2.831 0.823 ( 0.472 3.479 6.079) 7.020 0.890 ( -0.023 -3.464 2.246) 4.129 0.914 ( 2.798 4.089 0.484) 4.978 0.977 ( -0.011 -2.197 -1.847) 2.870 1.079 ( 1.559 -0.056 -0.141) 1.566 1.089 ( -0.675 -0.799 -1.026) 1.465 1.118 ( 1.425 1.462 1.196) 2.366 1.128 ( -0.326 -0.071 -1.430) 1.468 1.156 ( 12.805 3.115 10.030) 16.561 1.215 ( 11.866 -3.004 9.362) 15.411 1.376 ( -3.671 1.142 -3.646) 5.299 1.389 ( -3.768 -0.410 -2.258) 4.412 1.424 ( 0.204 2.154 0.484) 2.217 1.456 ( -2.639 1.685 -2.422) 3.958 1.468 ( -3.608 -1.164 -1.688) 4.150 1.504 ( -7.187 -1.974 -5.390) 9.197 1.584 ( -2.352 0.280 -0.983) 2.564 1.595 ( -2.666 -0.928 -1.843) 3.372 1.698 ( 3.337 0.820 -1.023) 3.586 1.713 ( -0.738 -0.799 -1.156) 1.587 1.787 ( -6.687 0.805 -3.291) 7.497 1.804 ( -6.931 -0.911 -3.695) 7.907 1.911 ( -0.984 0.672 0.335) 1.238 1.919 ( 0.071 -0.165 -0.324) 0.370 2.021 ( 0.643 0.873 2.829) 3.030 2.045 ( 0.485 -1.463 1.292) 2.012 2.066 ( 0.925 0.214 1.071) 1.431 2.079 ( -0.142 -1.218 0.171) 1.238 2.199 ( 0.798 0.750 2.043) 2.318 2.203 ( -0.023 0.886 1.790) 1.997 2.225 ( 2.899 -0.575 1.499) 3.313 2.230 ( 1.633 -0.809 1.332) 2.257 2.271 ( 0.660 1.908 0.756) 2.156 2.307 ( 1.157 -1.667 0.648) 2.130 2.324 ( -1.599 1.477 -3.353) 3.998 2.339 ( -2.771 -0.000 -2.251) 3.570 2.563 ( 3.613 0.881 5.623) 6.741 2.578 ( 4.709 -0.433 4.959) 6.852 2.638 ( -2.197 1.570 -0.654) 2.778 2.663 ( -1.741 -0.101 -2.146) 2.765 2.725 ( -0.020 1.031 0.636) 1.211 2.751 ( -1.740 -0.760 -0.765) 2.047 2.817 ( 0.233 3.829 4.255) 5.729 2.881 ( -1.101 -0.353 4.104) 4.264 2.881 ( 4.994 0.628 0.145) 5.035 2.920 ( 4.373 -1.935 -1.574) 5.035 2.964 ( 0.008 1.757 -2.783) 3.291 2.985 ( 0.433 0.187 -2.722) 2.762 3.031 ( 0.626 2.221 1.452) 2.727 3.074 ( -0.680 1.347 -0.141) 1.515 3.100 ( -2.169 -4.123 -0.606) 4.698 3.129 ( 2.310 -4.371 0.566) 4.976 3.182 ( 0.476 -0.208 -0.811) 0.963 3.191 ( 0.166 -1.526 -1.300) 2.012 3.310 ( 0.244 0.974 -1.719) 1.991 3.334 ( -1.569 -1.649 -3.751) 4.387 3.481 ( 0.695 1.632 4.847) 5.162 3.520 ( -0.565 -0.427 2.137) 2.252 3.552 ( 5.217 0.983 2.793) 5.999 3.590 ( 3.387 -1.726 0.499) 3.834 3.597 ( -1.902 3.032 -0.885) 3.687 3.614 ( -2.610 1.998 -1.908) 3.801 3.658 ( -6.874 -2.299 -3.918) 8.239 3.677 ( -1.707 -4.371 -3.219) 5.690 3.823 ( 0.495 0.747 -0.523) 1.038 3.829 ( 1.174 0.065 -0.866) 1.460 4.126 ( -0.166 -0.237 0.886) 0.932 4.132 ( -0.409 -0.928 0.263) 1.048 4.342 ( 2.433 0.756 0.665) 2.633 4.351 ( 1.184 -0.096 -0.171) 1.201 4.460 ( -2.394 0.113 -1.177) 2.670 4.467 ( -0.541 -0.694 -1.794) 1.999 4.654 ( 1.304 1.165 2.245) 2.846 4.671 ( 0.708 -0.474 1.164) 1.442 4.725 ( 0.063 0.978 0.180) 0.996 4.753 ( -2.176 -1.529 -1.846) 3.237 4.869 ( -1.039 1.006 1.306) 1.948 4.897 ( -1.216 -1.927 -1.281) 2.613 5.022 ( -0.066 1.003 0.455) 1.103 5.034 ( 0.838 -0.401 -0.803) 1.228 5.105 ( 0.441 1.386 1.029) 1.782 5.114 ( -0.036 0.405 0.146) 0.432 5.208 ( 0.186 1.178 1.377) 1.822 5.223 ( 1.120 -0.343 -0.085) 1.175 5.506 ( -0.253 0.313 0.549) 0.680 5.513 ( -0.558 -0.504 -0.129) 0.762 5.757 ( -0.843 0.830 -0.038) 1.184 5.774 ( -0.082 -0.870 -1.787) 1.990 6.083 ( 0.482 1.016 0.135) 1.132 6.084 ( -0.710 0.943 0.033) 1.181 6.152 ( 0.256 -0.625 -0.048) 0.677 6.154 ( -0.402 -0.725 -0.172) 0.846 9.135 ( -0.209 0.010 0.378) 0.432 9.135 ( 0.144 -0.019 0.354) 0.383 9.255 ( 0.319 0.408 0.104) 0.529 9.259 ( 0.307 0.035 -0.244) 0.394 9.321 ( 2.547 1.021 1.318) 3.044 9.336 ( -1.226 0.594 -0.098) 1.365 9.356 ( 3.610 -1.493 1.066) 4.049 9.368 ( -2.097 -1.525 -0.143) 2.597 9.716 ( 0.277 0.417 0.243) 0.556 9.718 ( 0.061 0.185 0.110) 0.224 9.736 ( 0.507 -0.059 -0.022) 0.511 9.740 ( -1.034 -0.510 -0.380) 1.214 9.893 ( 2.392 0.190 1.425) 2.791 9.897 ( 2.180 -0.182 1.332) 2.561 9.955 ( -3.206 0.130 -2.130) 3.851 9.962 ( -3.659 -0.499 -2.464) 4.439 10.091 ( 0.654 0.656 1.144) 1.472 10.104 ( 0.584 -0.595 0.652) 1.059 10.114 ( 0.167 0.515 -0.306) 0.622 10.126 ( -0.210 -0.714 -0.792) 1.087 10.247 ( 3.942 0.963 2.313) 4.671 10.261 ( 2.258 -0.435 2.007) 3.052 10.305 ( -3.627 0.720 -1.531) 4.002 10.323 ( -3.470 -1.154 -2.157) 4.245 10.405 ( 2.170 0.516 1.431) 2.650 10.415 ( 2.170 -0.400 1.153) 2.490 10.462 ( -0.656 0.594 -1.373) 1.634 10.477 ( -1.517 -0.807 -1.999) 2.636 10.484 ( 2.661 0.575 1.020) 2.907 10.492 ( 0.412 -0.176 0.257) 0.517 10.636 ( 2.457 -0.164 1.313) 2.791 10.653 ( -3.673 -1.816 -0.362) 4.113 11.334 ( -0.553 0.451 1.354) 1.531 11.343 ( -0.376 -0.469 0.670) 0.900 11.410 ( 0.052 0.341 -0.394) 0.524 11.415 ( 0.016 -0.156 -0.734) 0.751 11.546 ( 1.404 1.051 1.215) 2.133 11.562 ( 1.270 -0.371 0.658) 1.478 11.584 ( -1.167 0.750 -0.621) 1.520 11.605 ( -2.061 -1.348 -1.665) 2.973 11.735 ( 1.240 0.882 0.691) 1.671 11.741 ( -0.079 0.391 0.093) 0.410 11.789 ( 2.173 0.207 0.905) 2.363 11.803 ( -1.207 -1.132 -0.356) 1.693 11.899 ( -0.127 1.510 -0.042) 1.516 11.911 ( -0.597 0.503 -1.099) 1.348 11.943 ( -0.746 -1.350 -0.098) 1.545 11.947 ( 0.388 -1.429 -0.546) 1.578 ======================= Grid point 61 (36/39) ======================= q-point: ( 0.20 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 1.962 0.494 -3.825) 4.327 0.660 ( 3.008 -0.505 -0.409) 3.078 0.738 ( 2.892 -0.113 0.714) 2.981 0.772 ( 3.548 -2.997 -1.401) 4.851 0.851 ( 1.557 3.975 0.277) 4.278 0.891 ( -5.327 3.045 -9.420) 11.242 0.936 ( 3.346 -1.293 1.117) 3.757 0.991 ( 0.165 -3.644 -2.535) 4.442 1.035 ( -3.283 2.691 -3.571) 5.547 1.050 ( -2.329 1.322 -0.649) 2.755 1.078 ( -0.691 1.234 -0.544) 1.515 1.134 ( -0.040 -2.187 -2.501) 3.323 1.151 ( 2.717 0.276 0.731) 2.828 1.158 ( 1.877 -0.991 0.167) 2.129 1.293 ( -7.565 3.309 -1.977) 8.491 1.347 ( -6.942 -2.546 -3.449) 8.160 1.389 ( -3.334 1.624 -0.957) 3.830 1.417 ( -2.210 -1.784 -0.305) 2.857 1.515 ( -2.319 0.331 1.472) 2.767 1.529 ( -2.943 -1.005 2.280) 3.856 1.667 ( 8.598 1.123 6.906) 11.085 1.690 ( 10.341 -1.310 6.404) 12.234 1.731 ( 11.300 1.167 7.042) 13.365 1.756 ( 6.547 -1.508 3.033) 7.371 1.909 ( 6.840 1.776 4.760) 8.521 1.923 ( 5.996 0.389 5.136) 7.905 1.940 ( 2.527 1.381 -0.566) 2.935 1.963 ( 3.284 -1.281 -0.698) 3.593 2.011 ( -1.514 1.428 -0.808) 2.232 2.051 ( 0.086 -2.344 -0.949) 2.530 2.060 ( 0.226 0.542 -0.526) 0.789 2.086 ( -0.528 -2.003 -0.762) 2.207 2.138 ( -5.459 0.770 -4.457) 7.089 2.156 ( -5.891 -0.995 -4.491) 7.474 2.224 ( -0.756 0.844 0.980) 1.498 2.236 ( 0.027 -0.312 -1.001) 1.048 2.280 ( -0.148 1.621 0.663) 1.757 2.298 ( 2.299 -0.225 -1.051) 2.537 2.327 ( 2.350 1.129 1.818) 3.179 2.361 ( 0.381 -2.067 1.913) 2.842 2.517 ( -5.765 2.677 -4.311) 7.680 2.538 ( -3.908 0.416 -3.930) 5.558 2.636 ( -2.239 0.437 2.251) 3.205 2.641 ( -3.201 -0.267 0.572) 3.262 2.695 ( -1.162 1.054 1.856) 2.430 2.733 ( -0.150 -2.499 4.159) 4.854 2.806 ( -3.645 1.949 -4.572) 6.164 2.834 ( -0.418 0.119 -3.524) 3.550 2.883 ( -0.034 3.997 -3.370) 5.228 2.913 ( -1.997 1.846 -3.027) 4.069 2.964 ( 0.056 -1.072 0.217) 1.095 2.984 ( 1.301 -2.357 -1.337) 3.006 3.012 ( -1.310 1.359 -1.366) 2.330 3.075 ( -0.652 0.353 0.873) 1.145 3.113 ( -0.971 -1.942 -0.638) 2.263 3.151 ( -0.655 -0.330 0.590) 0.941 3.163 ( 0.230 -1.329 0.930) 1.638 3.177 ( 2.534 -3.854 -0.885) 4.697 3.330 ( 2.699 1.579 0.195) 3.133 3.361 ( 3.060 -1.656 1.347) 3.731 3.437 ( -6.594 1.324 -2.250) 7.092 3.455 ( -4.989 -0.495 -1.497) 5.232 3.512 ( -1.061 0.676 2.143) 2.485 3.533 ( -0.565 -1.354 1.683) 2.232 3.612 ( -0.062 1.453 0.222) 1.471 3.647 ( 1.718 -2.888 -2.328) 4.088 3.721 ( 3.931 1.990 4.087) 6.010 3.761 ( 5.327 -1.229 3.367) 6.421 3.803 ( -1.357 0.394 -1.333) 1.943 3.821 ( -0.155 -0.733 -2.033) 2.167 4.108 ( -1.865 -0.021 0.200) 1.876 4.121 ( -1.633 -1.317 0.332) 2.124 4.275 ( -4.130 0.248 -1.159) 4.297 4.282 ( -4.499 -0.492 -0.886) 4.612 4.503 ( 2.993 1.097 0.990) 3.338 4.525 ( 3.762 -1.144 0.197) 3.937 4.652 ( -0.181 0.956 -0.735) 1.220 4.663 ( -0.758 -0.014 -0.243) 0.796 4.739 ( 0.968 1.895 -0.076) 2.130 4.779 ( 1.643 -2.269 0.978) 2.967 4.879 ( -0.372 -0.559 0.662) 0.943 4.883 ( -0.632 -1.089 2.864) 3.128 5.022 ( 0.286 1.675 0.217) 1.713 5.039 ( 0.634 -0.237 -0.628) 0.923 5.093 ( -1.313 0.861 -0.799) 1.762 5.098 ( -1.447 0.345 0.356) 1.530 5.200 ( -1.099 1.427 -0.271) 1.822 5.217 ( -0.227 -0.431 -1.656) 1.726 5.504 ( -0.306 0.235 0.592) 0.707 5.512 ( -0.031 -0.505 0.596) 0.782 5.763 ( 0.519 0.980 1.313) 1.718 5.782 ( 1.412 -1.022 0.162) 1.751 6.082 ( 0.192 1.988 0.339) 2.026 6.105 ( 1.274 0.224 -0.039) 1.294 6.130 ( -1.789 -0.461 0.193) 1.858 6.143 ( -1.101 -1.131 0.103) 1.582 9.117 ( -1.390 0.366 0.112) 1.442 9.124 ( -1.203 -0.343 0.091) 1.254 9.257 ( -0.119 0.286 -0.859) 0.913 9.259 ( 0.164 0.051 -0.561) 0.587 9.293 ( -1.457 0.195 -0.898) 1.723 9.301 ( -2.085 -0.575 -1.168) 2.458 9.368 ( 1.304 1.622 -0.248) 2.096 9.402 ( 1.046 -1.934 -0.826) 2.349 9.708 ( -0.148 0.555 0.028) 0.575 9.716 ( -0.194 -0.329 0.096) 0.393 9.742 ( 0.884 0.955 0.051) 1.302 9.761 ( 1.230 -1.026 0.209) 1.615 9.863 ( -1.651 0.266 -0.894) 1.896 9.869 ( -1.497 -0.343 -0.805) 1.734 10.005 ( 3.874 0.334 2.803) 4.794 10.012 ( 3.659 -0.276 2.688) 4.549 10.084 ( -1.641 0.410 -1.243) 2.099 10.092 ( -1.922 -0.410 -1.328) 2.372 10.102 ( -0.617 0.524 -0.032) 0.810 10.112 ( -1.027 -0.557 -0.162) 1.180 10.192 ( -2.389 1.643 -1.154) 3.120 10.220 ( -2.556 -1.300 -1.495) 3.234 10.360 ( 2.653 0.423 2.440) 3.629 10.369 ( 3.190 -0.491 2.838) 4.298 10.404 ( 0.759 0.213 -1.693) 1.867 10.410 ( -0.144 -0.439 -2.280) 2.327 10.447 ( -1.972 0.733 -0.830) 2.261 10.453 ( -0.947 0.189 0.227) 0.993 10.491 ( 0.054 -0.184 -0.680) 0.706 10.499 ( 1.242 -0.929 0.090) 1.553 10.690 ( 5.701 4.240 -0.805) 7.150 10.787 ( 9.018 -6.222 -1.425) 11.048 11.331 ( -1.158 0.169 0.924) 1.491 11.335 ( -1.033 -0.141 0.358) 1.102 11.406 ( -0.068 0.725 0.043) 0.729 11.417 ( 0.355 -0.236 0.023) 0.427 11.526 ( -1.826 0.632 -0.748) 2.072 11.537 ( -2.212 -0.574 -0.904) 2.458 11.599 ( 1.615 1.314 1.318) 2.465 11.624 ( 1.586 -1.284 1.647) 2.622 11.696 ( -2.879 0.712 -1.038) 3.142 11.708 ( -3.356 -0.608 -1.373) 3.677 11.784 ( 0.227 2.046 -0.616) 2.149 11.825 ( 0.413 -2.387 -0.766) 2.540 11.904 ( 0.322 1.273 0.553) 1.425 11.918 ( 1.087 1.250 0.516) 1.735 11.930 ( -0.755 -0.943 0.637) 1.366 11.955 ( 0.601 -2.020 0.060) 2.109 ======================= Grid point 62 (37/39) ======================= q-point: ( 0.40 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 2.703 -0.077 -1.126) 2.929 0.689 ( 2.372 -0.109 -0.277) 2.390 0.752 ( 1.043 -0.368 -4.045) 4.194 0.771 ( 0.314 -2.385 -2.499) 3.469 0.828 ( 6.367 4.579 0.046) 7.843 0.902 ( 0.943 -2.435 -1.083) 2.826 1.003 ( 2.060 0.828 0.326) 2.245 1.007 ( -3.655 0.588 -0.230) 3.709 1.029 ( 5.576 3.705 2.571) 7.172 1.088 ( 1.708 1.040 0.261) 2.017 1.112 ( 3.977 -1.454 1.792) 4.598 1.119 ( 3.034 -2.531 2.645) 4.755 1.198 ( 1.705 1.049 -0.447) 2.051 1.211 ( 1.861 -1.505 -0.110) 2.396 1.267 ( 2.797 2.003 3.457) 4.877 1.298 ( 5.041 -1.452 3.205) 6.147 1.369 ( 0.305 0.210 0.783) 0.866 1.386 ( -0.799 -1.597 0.048) 1.786 1.504 ( -0.996 1.834 2.513) 3.266 1.540 ( -1.277 -2.014 1.887) 3.041 1.667 ( -9.428 2.011 -4.148) 10.495 1.696 ( -8.754 -0.889 -5.597) 10.429 1.741 ( -4.234 1.155 -3.743) 5.768 1.764 ( -3.161 -1.203 -3.440) 4.825 1.878 ( -5.098 2.522 -3.405) 6.629 1.916 ( -5.005 -1.470 -2.569) 5.814 1.954 ( -4.454 2.850 -3.152) 6.156 2.003 ( -2.655 -2.219 -2.243) 4.123 2.023 ( -1.354 1.538 -0.996) 2.278 2.052 ( 2.396 -1.584 -0.127) 2.875 2.076 ( 1.001 -0.160 0.525) 1.142 2.090 ( -0.910 -1.344 -1.102) 1.962 2.154 ( 2.971 1.005 2.301) 3.890 2.173 ( 0.117 -0.110 1.935) 1.942 2.182 ( 5.293 0.710 1.557) 5.563 2.216 ( 2.697 -1.970 -0.826) 3.441 2.288 ( 0.102 1.432 0.784) 1.635 2.309 ( 0.397 -0.740 -1.581) 1.790 2.359 ( -1.988 0.822 -1.495) 2.619 2.366 ( -2.646 0.293 -1.395) 3.005 2.452 ( 3.394 2.396 4.604) 6.201 2.501 ( 2.301 -2.705 3.223) 4.796 2.623 ( 2.183 0.420 1.272) 2.561 2.636 ( 0.842 -0.746 0.737) 1.345 2.726 ( 0.237 2.047 0.332) 2.087 2.750 ( 1.077 1.944 1.044) 2.455 2.790 ( 2.243 2.406 3.071) 4.501 2.848 ( 2.472 0.383 -0.507) 2.552 2.865 ( 1.414 1.695 -0.862) 2.370 2.893 ( 3.127 1.800 -1.854) 4.057 2.940 ( -2.207 -1.942 0.148) 2.943 2.957 ( -2.369 -2.639 -1.905) 4.025 3.012 ( 3.226 -0.862 1.203) 3.550 3.074 ( 0.167 -5.718 -0.576) 5.749 3.101 ( 0.759 4.203 2.371) 4.885 3.165 ( -1.807 -0.346 -0.038) 1.841 3.173 ( 1.171 -0.629 1.117) 1.736 3.196 ( 0.759 -2.679 -0.197) 2.791 3.319 ( -3.292 2.415 -1.124) 4.235 3.350 ( -0.706 -0.360 -1.595) 1.781 3.417 ( 0.244 -0.417 1.863) 1.925 3.426 ( 1.661 -1.246 0.585) 2.157 3.525 ( 1.506 0.811 0.968) 1.966 3.540 ( 0.051 -0.635 1.696) 1.812 3.604 ( 0.040 1.532 -1.388) 2.068 3.636 ( 0.715 -2.560 -3.285) 4.226 3.677 ( -6.977 0.386 -2.670) 7.481 3.704 ( -5.926 -2.211 -5.297) 8.250 3.826 ( -0.273 1.508 1.063) 1.865 3.840 ( 0.483 0.110 0.369) 0.618 4.083 ( -0.905 -0.180 -0.052) 0.924 4.090 ( -1.466 -0.955 -0.305) 1.776 4.234 ( 1.116 1.267 1.551) 2.293 4.260 ( 1.606 -1.479 1.943) 2.923 4.545 ( 0.873 1.145 0.499) 1.524 4.572 ( 1.244 -1.669 -0.361) 2.113 4.657 ( 0.242 1.421 -0.159) 1.450 4.663 ( -0.287 1.039 0.538) 1.204 4.718 ( -1.334 1.048 -1.855) 2.514 4.758 ( -2.728 -2.738 -2.301) 4.498 4.866 ( -1.464 0.318 1.135) 1.879 4.882 ( -1.107 -1.229 0.729) 1.808 5.048 ( 0.671 1.806 1.451) 2.412 5.063 ( 1.056 0.607 0.972) 1.559 5.080 ( 0.662 -0.053 0.091) 0.670 5.083 ( -0.150 -0.642 0.264) 0.710 5.194 ( 0.255 1.326 0.570) 1.466 5.210 ( 1.136 -0.456 -1.074) 1.628 5.508 ( -0.146 0.293 0.691) 0.765 5.516 ( -0.114 -0.483 0.257) 0.558 5.786 ( 0.108 1.026 1.327) 1.681 5.804 ( 0.597 -0.956 -0.058) 1.129 6.088 ( -0.378 1.619 0.841) 1.863 6.101 ( -0.789 0.617 0.131) 1.011 6.121 ( 0.319 -0.756 -0.413) 0.919 6.125 ( -0.634 -0.922 -0.115) 1.124 9.103 ( -0.469 0.260 0.351) 0.641 9.107 ( -0.580 -0.215 0.123) 0.630 9.254 ( 0.842 0.531 -0.083) 0.999 9.262 ( 0.533 -0.234 -0.098) 0.590 9.292 ( 1.625 0.186 1.179) 2.016 9.299 ( 1.287 -0.434 0.929) 1.645 9.370 ( -0.247 1.174 -1.221) 1.711 9.397 ( -0.177 -1.543 -1.705) 2.306 9.720 ( 0.836 0.627 0.719) 1.269 9.731 ( 0.939 -0.460 0.895) 1.376 9.750 ( -0.028 1.031 -0.374) 1.097 9.769 ( -0.172 -1.048 -0.529) 1.187 9.853 ( 0.753 0.296 0.534) 0.969 9.860 ( 0.586 -0.392 0.418) 0.820 9.992 ( -4.228 0.280 -2.528) 4.934 10.000 ( -4.265 -0.476 -2.542) 4.988 10.077 ( 1.550 0.369 0.781) 1.774 10.080 ( 1.721 0.070 0.825) 1.910 10.109 ( -0.210 0.477 0.464) 0.698 10.118 ( 0.178 -0.503 0.626) 0.823 10.192 ( 2.021 1.519 1.520) 2.949 10.216 ( 2.090 -1.049 1.309) 2.679 10.339 ( -2.652 0.705 -1.920) 3.349 10.354 ( -2.885 -0.839 -1.892) 3.550 10.437 ( 1.307 0.716 0.671) 1.634 10.450 ( 1.315 -0.711 0.923) 1.757 10.475 ( 1.315 0.324 1.027) 1.699 10.482 ( 2.825 -0.301 2.329) 3.674 10.510 ( 1.465 -0.018 1.464) 2.071 10.518 ( 3.206 -0.794 3.012) 4.470 10.725 ( 0.102 4.877 -5.178) 7.114 10.837 ( 0.384 -7.199 -7.865) 10.669 11.312 ( -1.123 0.515 0.579) 1.364 11.318 ( -0.925 -0.118 0.369) 1.003 11.409 ( 0.170 0.908 0.312) 0.975 11.420 ( -0.118 0.037 -0.078) 0.146 11.503 ( -0.329 0.181 0.611) 0.717 11.510 ( -0.282 -0.582 0.495) 0.814 11.617 ( -1.612 0.959 -0.568) 1.960 11.628 ( -2.315 -0.081 -1.169) 2.594 11.654 ( 1.045 0.635 0.514) 1.326 11.670 ( 0.882 -1.164 0.077) 1.463 11.780 ( 0.036 1.459 -0.364) 1.505 11.805 ( -0.801 -1.146 -1.333) 1.932 11.918 ( 0.164 0.513 1.008) 1.143 11.929 ( 0.079 -0.142 0.652) 0.672 11.940 ( 0.398 0.100 0.278) 0.496 11.960 ( -0.065 -1.516 -0.342) 1.555 ======================= Grid point 63 (38/39) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -3.635 3.557 1.445) 5.287 0.699 ( -4.387 0.802 -1.803) 4.811 0.716 ( 1.261 -2.910 0.137) 3.174 0.751 ( -0.043 -4.078 -1.162) 4.241 0.847 ( -8.899 2.926 -0.820) 9.403 0.899 ( -4.777 -2.389 -0.538) 5.368 0.983 ( 3.080 1.326 0.465) 3.386 1.009 ( 4.741 -0.810 -0.857) 4.886 1.101 ( -6.282 2.967 -2.533) 7.395 1.137 ( -4.293 0.249 -3.224) 5.374 1.147 ( -1.636 -0.889 -0.790) 2.023 1.155 ( -1.636 -0.749 -0.787) 1.963 1.203 ( -5.357 1.746 -1.960) 5.965 1.233 ( -6.760 -0.461 -4.568) 8.172 1.318 ( 0.934 -0.359 2.311) 2.518 1.331 ( 1.962 -1.055 1.399) 2.630 1.371 ( 0.789 0.538 -0.822) 1.260 1.388 ( -2.378 -1.144 -2.379) 3.553 1.447 ( 8.322 0.598 5.185) 9.823 1.475 ( 9.949 -2.322 5.030) 11.387 1.657 ( -0.888 1.596 0.755) 1.976 1.680 ( -1.266 -0.535 1.387) 1.953 1.706 ( 0.961 2.379 -0.651) 2.647 1.731 ( 0.556 -0.257 -2.462) 2.537 1.811 ( 3.436 2.772 2.874) 5.268 1.847 ( 6.950 -0.359 4.592) 8.338 1.883 ( 1.150 0.326 1.873) 2.221 1.903 ( 3.837 -1.127 3.111) 5.067 2.048 ( -2.428 0.371 -0.190) 2.464 2.058 ( -1.131 -0.156 0.226) 1.164 2.066 ( -1.422 -0.932 0.042) 1.701 2.075 ( 0.331 -1.549 1.739) 2.352 2.139 ( -2.867 1.565 1.069) 3.437 2.173 ( -1.484 -1.604 0.852) 2.346 2.216 ( 0.082 1.501 -2.436) 2.863 2.234 ( 0.668 -0.339 -1.675) 1.835 2.305 ( -1.040 0.760 -0.275) 1.317 2.319 ( -0.547 -0.619 -1.351) 1.583 2.346 ( 0.182 0.234 0.320) 0.436 2.353 ( 0.699 -0.521 0.339) 0.935 2.523 ( -2.049 0.974 -0.618) 2.351 2.532 ( -0.799 -0.231 1.079) 1.362 2.622 ( -1.677 0.780 -0.852) 2.036 2.631 ( -1.253 -0.325 -1.657) 2.103 2.743 ( -2.823 3.493 -0.077) 4.492 2.783 ( -0.610 1.159 -1.007) 1.653 2.793 ( -2.191 4.094 2.238) 5.155 2.857 ( -2.414 0.101 -1.505) 2.846 2.861 ( -0.482 -1.645 0.151) 1.721 2.881 ( -2.225 0.704 -1.152) 2.603 2.919 ( 3.057 -2.820 1.550) 4.438 2.961 ( 2.215 -3.862 -1.954) 4.862 3.054 ( -1.616 0.406 -1.713) 2.390 3.081 ( 0.702 -2.065 -1.327) 2.553 3.131 ( 0.716 1.923 0.181) 2.060 3.153 ( 2.208 -0.591 0.572) 2.356 3.207 ( -0.324 0.049 -1.595) 1.629 3.235 ( -0.116 -2.221 -1.945) 2.954 3.300 ( 2.939 1.664 0.538) 3.420 3.319 ( 1.877 0.080 -1.324) 2.298 3.432 ( -0.886 0.149 1.431) 1.689 3.448 ( -1.356 -1.157 -0.220) 1.796 3.513 ( -3.842 0.775 0.906) 4.022 3.552 ( -1.547 -2.901 -0.486) 3.323 3.587 ( 1.226 0.570 1.216) 1.819 3.590 ( 1.336 0.317 0.793) 1.586 3.648 ( 5.878 -0.688 -0.415) 5.932 3.653 ( 5.525 -1.188 -0.037) 5.652 3.835 ( 0.311 1.105 0.613) 1.301 3.840 ( 0.605 0.580 -0.185) 0.858 4.075 ( 0.521 -0.394 0.521) 0.836 4.080 ( 0.914 -0.847 0.381) 1.303 4.277 ( -1.244 1.131 -2.227) 2.790 4.289 ( 0.700 -0.205 -0.529) 0.901 4.560 ( 0.177 -0.655 0.771) 1.027 4.564 ( -0.353 -1.030 -1.207) 1.626 4.641 ( -1.295 2.078 1.075) 2.674 4.667 ( -0.053 0.769 0.157) 0.787 4.698 ( 0.295 -0.136 0.161) 0.363 4.728 ( 2.539 -1.825 0.247) 3.137 4.861 ( -0.715 1.259 1.683) 2.221 4.884 ( 1.049 -1.258 0.452) 1.699 5.066 ( -0.598 1.210 1.088) 1.733 5.072 ( -0.481 0.700 -0.605) 1.043 5.076 ( -0.819 0.111 -0.169) 0.843 5.091 ( 0.238 -1.076 -0.318) 1.147 5.195 ( -1.076 1.330 0.424) 1.763 5.213 ( -0.069 -0.616 -1.257) 1.402 5.509 ( -0.463 0.388 0.535) 0.807 5.517 ( 0.127 -0.473 0.212) 0.534 5.794 ( -0.370 0.796 0.770) 1.168 5.810 ( 0.592 -0.736 -0.682) 1.165 6.092 ( 0.056 1.151 0.592) 1.296 6.105 ( 0.891 1.100 -0.503) 1.502 6.113 ( -0.330 -0.816 0.340) 0.943 6.126 ( 0.834 -0.872 -0.181) 1.220 9.105 ( 0.309 0.032 0.093) 0.324 9.105 ( 0.404 0.034 0.314) 0.512 9.258 ( -0.438 0.547 -0.399) 0.807 9.264 ( 0.183 0.017 -0.196) 0.268 9.323 ( -2.195 0.165 -1.731) 2.800 9.333 ( -0.995 -0.674 -0.588) 1.338 9.352 ( -0.749 -0.129 -1.224) 1.441 9.359 ( 1.243 -0.732 1.816) 2.319 9.733 ( -1.006 0.657 -0.448) 1.282 9.739 ( -0.012 0.430 0.506) 0.664 9.748 ( -0.951 -0.266 -0.555) 1.133 9.757 ( 0.410 -0.799 0.700) 1.138 9.870 ( -1.081 0.202 -1.087) 1.546 9.872 ( -0.784 -0.070 -0.838) 1.150 9.951 ( 2.593 0.015 1.499) 2.995 9.955 ( 3.109 -0.453 1.807) 3.625 10.087 ( -1.392 0.431 -0.323) 1.493 10.092 ( -1.409 -0.163 -0.504) 1.505 10.114 ( 0.970 0.498 -0.015) 1.091 10.121 ( 1.342 -0.327 0.253) 1.404 10.229 ( -2.808 0.972 -1.898) 3.527 10.240 ( -1.501 -0.163 -0.667) 1.650 10.304 ( 1.363 0.556 1.285) 1.954 10.318 ( 2.569 -0.886 1.671) 3.190 10.451 ( -1.943 0.774 -0.696) 2.204 10.468 ( -0.319 -0.612 0.058) 0.693 10.478 ( -0.184 -0.042 -0.771) 0.794 10.488 ( 0.913 -0.769 0.365) 1.248 10.588 ( -4.492 2.020 -5.107) 7.095 10.602 ( 0.711 1.881 2.219) 2.995 10.662 ( -6.370 -3.095 -5.520) 8.979 10.683 ( 1.975 -3.756 6.542) 7.798 11.311 ( 0.024 0.525 0.847) 0.997 11.317 ( 0.484 -0.128 0.442) 0.667 11.415 ( 0.003 0.550 -0.255) 0.606 11.418 ( 0.452 0.331 0.062) 0.564 11.511 ( -0.007 -0.175 0.303) 0.349 11.512 ( -0.197 -0.261 -0.119) 0.348 11.602 ( 0.780 0.768 0.767) 1.336 11.611 ( 1.477 -0.094 0.501) 1.562 11.671 ( -0.156 0.260 -1.177) 1.216 11.676 ( 0.561 -0.220 -0.564) 0.825 11.783 ( -0.213 0.508 -0.679) 0.874 11.788 ( 0.939 -0.044 0.303) 0.988 11.924 ( -0.524 0.674 0.543) 1.012 11.938 ( 0.372 0.118 -0.397) 0.557 11.945 ( -0.171 -0.937 0.365) 1.020 11.954 ( 0.407 -1.037 -0.296) 1.153 ======================= Grid point 64 (39/39) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -5.391 5.505 2.897) 8.232 0.647 ( -1.414 0.170 2.161) 2.588 0.700 ( -0.002 1.463 5.425) 5.619 0.742 ( -1.758 1.368 0.118) 2.231 0.769 ( 1.307 -2.767 0.850) 3.176 0.842 ( -5.656 -4.253 1.210) 7.179 0.933 ( 0.772 0.197 0.474) 0.927 0.960 ( -2.809 0.933 2.178) 3.675 0.972 ( -3.923 3.086 -0.158) 4.994 1.051 ( -1.978 -2.511 0.293) 3.210 1.101 ( -1.552 0.743 -1.350) 2.187 1.122 ( 1.110 -0.804 -0.938) 1.661 1.166 ( -1.886 1.271 -0.710) 2.383 1.183 ( -2.324 -0.684 -1.486) 2.842 1.280 ( 1.682 0.710 -0.680) 1.948 1.289 ( 3.380 0.027 0.864) 3.488 1.373 ( 0.992 0.805 0.811) 1.513 1.398 ( 1.313 -2.242 1.490) 2.995 1.562 ( 2.120 0.990 -3.393) 4.121 1.590 ( 1.847 -1.650 -3.823) 4.556 1.724 ( -0.816 1.005 -0.250) 1.318 1.739 ( -0.743 -0.540 -1.019) 1.372 1.823 ( 2.972 0.896 2.646) 4.079 1.832 ( 2.483 0.143 2.533) 3.550 1.889 ( -0.294 1.884 2.557) 3.189 1.930 ( -0.968 -2.178 1.885) 3.039 1.976 ( -3.909 0.597 -1.975) 4.421 1.982 ( -1.823 0.679 0.844) 2.121 1.988 ( -3.610 -0.656 -1.914) 4.138 1.992 ( -2.328 -0.720 2.031) 3.172 2.067 ( 1.434 0.592 1.222) 1.975 2.079 ( -1.055 1.093 -2.210) 2.682 2.092 ( -2.101 0.324 -0.503) 2.184 2.137 ( -0.850 -2.687 -1.730) 3.307 2.192 ( 0.862 0.855 2.924) 3.166 2.221 ( 1.179 -2.270 1.598) 3.016 2.272 ( -2.402 1.325 1.043) 2.935 2.294 ( 0.262 -0.874 -0.139) 0.923 2.345 ( 0.123 0.951 0.479) 1.072 2.368 ( 1.723 -1.585 1.313) 2.684 2.468 ( -0.072 2.360 -0.864) 2.515 2.485 ( -0.884 0.353 -0.092) 0.956 2.632 ( 1.966 1.447 1.860) 3.069 2.645 ( 2.163 1.651 4.633) 5.373 2.693 ( -1.250 1.168 1.138) 2.055 2.729 ( -1.055 -0.519 2.262) 2.549 2.787 ( 0.344 3.483 1.018) 3.645 2.811 ( -0.383 -0.061 -2.168) 2.202 2.847 ( 2.251 -0.710 -2.313) 3.305 2.866 ( -0.633 0.784 1.811) 2.072 2.948 ( 0.984 1.752 -0.264) 2.027 2.994 ( 1.987 -0.839 -1.678) 2.733 3.019 ( 0.720 -1.147 -2.004) 2.419 3.070 ( 0.159 -5.492 0.479) 5.515 3.125 ( -1.914 1.823 0.299) 2.660 3.161 ( -1.023 -1.195 -1.211) 1.985 3.181 ( 1.288 0.055 -2.701) 2.993 3.218 ( 0.802 -2.645 -2.820) 3.949 3.332 ( -0.333 2.972 -0.147) 2.995 3.384 ( 0.284 -2.047 1.065) 2.325 3.404 ( 1.819 1.275 0.653) 2.316 3.444 ( 2.801 -2.058 -0.884) 3.587 3.513 ( -0.641 1.032 1.483) 1.917 3.559 ( 0.940 -3.106 -0.630) 3.306 3.604 ( 0.320 1.548 0.657) 1.712 3.623 ( 1.693 -0.519 -0.714) 1.909 3.768 ( 3.311 -0.007 0.336) 3.328 3.773 ( 3.771 -0.275 1.873) 4.220 3.807 ( -3.417 1.326 -2.173) 4.261 3.827 ( -2.082 -0.871 -2.043) 3.044 4.101 ( 1.237 0.140 0.786) 1.472 4.114 ( 1.357 -1.243 0.785) 2.000 4.267 ( 3.260 1.077 -0.472) 3.466 4.286 ( 2.869 -0.850 -1.176) 3.215 4.530 ( -1.876 0.149 -1.639) 2.496 4.539 ( -2.458 -0.656 -1.312) 2.862 4.630 ( -1.134 1.234 1.405) 2.187 4.652 ( -1.189 -0.914 0.893) 1.745 4.736 ( 0.861 2.314 0.300) 2.488 4.783 ( 0.862 -2.504 0.314) 2.667 4.877 ( 0.167 1.886 1.039) 2.160 4.914 ( 1.145 -2.248 -0.180) 2.529 5.034 ( -1.924 0.979 -0.683) 2.264 5.044 ( -1.086 -0.103 -1.190) 1.614 5.073 ( 0.768 1.784 1.059) 2.212 5.099 ( 0.677 -0.867 0.524) 1.219 5.184 ( -0.205 1.010 1.323) 1.677 5.199 ( 0.470 -0.447 -0.265) 0.701 5.506 ( -0.269 0.649 0.298) 0.764 5.522 ( 0.028 -1.024 -0.054) 1.025 5.783 ( -1.047 0.947 -0.451) 1.482 5.804 ( -0.096 -1.175 -1.953) 2.282 6.088 ( -0.628 1.444 -0.159) 1.583 6.100 ( -0.848 0.586 0.391) 1.102 6.135 ( 1.570 -0.368 -0.263) 1.634 6.147 ( 1.187 -1.085 -0.232) 1.625 9.117 ( 0.810 0.200 0.068) 0.838 9.121 ( 0.815 -0.198 0.334) 0.903 9.243 ( 0.044 0.548 0.216) 0.591 9.252 ( -0.181 -0.450 -0.131) 0.502 9.278 ( -0.081 0.396 0.371) 0.549 9.287 ( -0.161 -0.486 0.346) 0.618 9.358 ( -0.549 1.161 0.634) 1.433 9.383 ( -0.336 -1.357 1.077) 1.765 9.711 ( -0.462 0.575 -0.224) 0.770 9.722 ( -0.544 -0.466 -0.363) 0.803 9.741 ( -0.534 0.927 0.207) 1.090 9.761 ( -0.635 -1.135 0.210) 1.318 9.854 ( 0.506 0.344 0.075) 0.616 9.861 ( 0.431 -0.436 0.082) 0.619 10.044 ( 0.974 0.499 0.578) 1.238 10.049 ( -0.270 0.011 0.010) 0.270 10.063 ( 1.392 0.130 0.191) 1.411 10.067 ( 0.874 -0.145 -0.367) 0.959 10.105 ( -0.720 0.390 -0.618) 1.026 10.112 ( -0.289 -0.320 -0.372) 0.570 10.181 ( 0.167 1.140 0.059) 1.154 10.200 ( 0.189 -0.887 0.483) 1.028 10.365 ( 1.274 0.419 1.302) 1.869 10.376 ( 0.229 -0.817 1.075) 1.369 10.413 ( -2.101 0.050 -0.460) 2.151 10.414 ( -3.885 -0.156 -1.630) 4.216 10.435 ( -2.073 1.024 -0.846) 2.462 10.455 ( -0.634 -1.114 -0.507) 1.378 10.497 ( -0.714 0.864 -1.466) 1.845 10.512 ( -0.146 -0.792 -1.200) 1.445 10.653 ( -2.679 3.811 2.810) 5.441 10.735 ( -3.895 -4.959 3.688) 7.305 11.325 ( 0.104 0.608 1.155) 1.310 11.335 ( 0.383 -0.492 0.758) 0.981 11.413 ( 0.152 0.651 -0.530) 0.853 11.423 ( 0.149 -0.215 -0.541) 0.601 11.514 ( 0.769 0.396 0.357) 0.936 11.522 ( 1.165 -0.406 0.515) 1.337 11.622 ( -0.767 1.471 -0.833) 1.856 11.650 ( -0.627 -1.595 -0.530) 1.794 11.679 ( 2.624 0.478 0.567) 2.727 11.684 ( 3.383 -0.026 0.477) 3.417 11.776 ( -0.281 1.742 0.076) 1.766 11.809 ( 0.268 -1.715 0.629) 1.846 11.914 ( -0.547 1.590 -0.381) 1.724 11.934 ( -0.286 0.797 -0.915) 1.246 11.944 ( 0.417 -1.419 -0.545) 1.576 11.958 ( -0.221 -1.709 -0.233) 1.739 =================== 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 3/18000 10.0 30.951 16.056 19.761 0.000 6.396 0.000 3/18000 20.0 8.754 3.717 5.153 0.000 2.436 0.000 3/18000 30.0 4.766 1.851 2.769 0.000 1.509 0.000 3/18000 40.0 3.226 1.202 1.875 0.000 1.077 0.000 3/18000 50.0 2.430 0.889 1.417 0.000 0.831 0.000 3/18000 60.0 1.950 0.707 1.140 0.000 0.675 0.000 3/18000 70.0 1.632 0.589 0.957 0.000 0.569 0.000 3/18000 80.0 1.406 0.507 0.827 0.000 0.492 0.000 3/18000 90.0 1.238 0.446 0.730 0.000 0.435 0.000 3/18000 100.0 1.108 0.399 0.655 0.000 0.390 0.000 3/18000 110.0 1.005 0.362 0.595 0.000 0.354 0.000 3/18000 120.0 0.921 0.332 0.546 0.000 0.325 0.000 3/18000 130.0 0.850 0.307 0.506 0.000 0.301 0.000 3/18000 140.0 0.791 0.286 0.471 0.000 0.280 0.000 3/18000 150.0 0.739 0.267 0.441 0.000 0.262 0.000 3/18000 160.0 0.695 0.252 0.415 0.000 0.247 0.000 3/18000 170.0 0.655 0.237 0.392 0.000 0.233 0.000 3/18000 180.0 0.620 0.225 0.372 0.000 0.221 0.000 3/18000 190.0 0.589 0.214 0.354 0.000 0.210 0.000 3/18000 200.0 0.561 0.204 0.337 0.000 0.200 0.000 3/18000 210.0 0.536 0.195 0.322 0.000 0.191 0.000 3/18000 220.0 0.512 0.186 0.308 0.000 0.183 0.000 3/18000 230.0 0.491 0.179 0.296 0.000 0.175 0.000 3/18000 240.0 0.472 0.172 0.284 0.000 0.169 0.000 3/18000 250.0 0.454 0.165 0.274 0.000 0.162 0.000 3/18000 260.0 0.437 0.159 0.264 0.000 0.156 0.000 3/18000 270.0 0.422 0.153 0.254 0.000 0.151 0.000 3/18000 280.0 0.407 0.148 0.246 0.000 0.146 0.000 3/18000 290.0 0.394 0.143 0.238 0.000 0.141 0.000 3/18000 300.0 0.381 0.139 0.230 0.000 0.137 0.000 3/18000 310.0 0.369 0.135 0.223 0.000 0.132 0.000 3/18000 320.0 0.358 0.131 0.217 0.000 0.129 0.000 3/18000 330.0 0.348 0.127 0.210 0.000 0.125 0.000 3/18000 340.0 0.338 0.123 0.205 0.000 0.121 0.000 3/18000 350.0 0.329 0.120 0.199 0.000 0.118 0.000 3/18000 360.0 0.320 0.117 0.194 0.000 0.115 0.000 3/18000 370.0 0.311 0.114 0.189 0.000 0.112 0.000 3/18000 380.0 0.304 0.111 0.184 0.000 0.109 0.000 3/18000 390.0 0.296 0.108 0.179 0.000 0.106 0.000 3/18000 400.0 0.289 0.105 0.175 0.000 0.104 0.000 3/18000 410.0 0.282 0.103 0.171 0.000 0.101 0.000 3/18000 420.0 0.276 0.101 0.167 0.000 0.099 0.000 3/18000 430.0 0.269 0.098 0.163 0.000 0.097 0.000 3/18000 440.0 0.263 0.096 0.160 0.000 0.095 0.000 3/18000 450.0 0.258 0.094 0.156 0.000 0.093 0.000 3/18000 460.0 0.252 0.092 0.153 0.000 0.091 0.000 3/18000 470.0 0.247 0.090 0.150 0.000 0.089 0.000 3/18000 480.0 0.242 0.088 0.147 0.000 0.087 0.000 3/18000 490.0 0.237 0.087 0.144 0.000 0.085 0.000 3/18000 500.0 0.233 0.085 0.141 0.000 0.084 0.000 3/18000 510.0 0.228 0.083 0.138 0.000 0.082 0.000 3/18000 520.0 0.224 0.082 0.136 0.000 0.081 0.000 3/18000 530.0 0.220 0.080 0.133 0.000 0.079 0.000 3/18000 540.0 0.216 0.079 0.131 0.000 0.078 0.000 3/18000 550.0 0.212 0.077 0.129 0.000 0.076 0.000 3/18000 560.0 0.208 0.076 0.126 0.000 0.075 0.000 3/18000 570.0 0.205 0.075 0.124 0.000 0.074 0.000 3/18000 580.0 0.201 0.073 0.122 0.000 0.073 0.000 3/18000 590.0 0.198 0.072 0.120 0.000 0.071 0.000 3/18000 600.0 0.195 0.071 0.118 0.000 0.070 0.000 3/18000 610.0 0.191 0.070 0.116 0.000 0.069 0.000 3/18000 620.0 0.188 0.069 0.114 0.000 0.068 0.000 3/18000 630.0 0.186 0.068 0.113 0.000 0.067 0.000 3/18000 640.0 0.183 0.067 0.111 0.000 0.066 0.000 3/18000 650.0 0.180 0.066 0.109 0.000 0.065 0.000 3/18000 660.0 0.177 0.065 0.108 0.000 0.064 0.000 3/18000 670.0 0.175 0.064 0.106 0.000 0.063 0.000 3/18000 680.0 0.172 0.063 0.105 0.000 0.062 0.000 3/18000 690.0 0.170 0.062 0.103 0.000 0.061 0.000 3/18000 700.0 0.167 0.061 0.102 0.000 0.060 0.000 3/18000 710.0 0.165 0.060 0.100 0.000 0.060 0.000 3/18000 720.0 0.163 0.059 0.099 0.000 0.059 0.000 3/18000 730.0 0.161 0.059 0.098 0.000 0.058 0.000 3/18000 740.0 0.158 0.058 0.096 0.000 0.057 0.000 3/18000 750.0 0.156 0.057 0.095 0.000 0.056 0.000 3/18000 760.0 0.154 0.056 0.094 0.000 0.056 0.000 3/18000 770.0 0.152 0.056 0.093 0.000 0.055 0.000 3/18000 780.0 0.150 0.055 0.091 0.000 0.054 0.000 3/18000 790.0 0.149 0.054 0.090 0.000 0.054 0.000 3/18000 800.0 0.147 0.054 0.089 0.000 0.053 0.000 3/18000 810.0 0.145 0.053 0.088 0.000 0.052 0.000 3/18000 820.0 0.143 0.052 0.087 0.000 0.052 0.000 3/18000 830.0 0.141 0.052 0.086 0.000 0.051 0.000 3/18000 840.0 0.140 0.051 0.085 0.000 0.050 0.000 3/18000 850.0 0.138 0.050 0.084 0.000 0.050 0.000 3/18000 860.0 0.137 0.050 0.083 0.000 0.049 0.000 3/18000 870.0 0.135 0.049 0.082 0.000 0.049 0.000 3/18000 880.0 0.134 0.049 0.081 0.000 0.048 0.000 3/18000 890.0 0.132 0.048 0.080 0.000 0.048 0.000 3/18000 900.0 0.131 0.048 0.079 0.000 0.047 0.000 3/18000 910.0 0.129 0.047 0.079 0.000 0.047 0.000 3/18000 920.0 0.128 0.047 0.078 0.000 0.046 0.000 3/18000 930.0 0.126 0.046 0.077 0.000 0.046 0.000 3/18000 940.0 0.125 0.046 0.076 0.000 0.045 0.000 3/18000 950.0 0.124 0.045 0.075 0.000 0.045 0.000 3/18000 960.0 0.123 0.045 0.075 0.000 0.044 0.000 3/18000 970.0 0.121 0.044 0.074 0.000 0.044 0.000 3/18000 980.0 0.120 0.044 0.073 0.000 0.043 0.000 3/18000 990.0 0.119 0.043 0.072 0.000 0.043 0.000 3/18000 1000.0 0.118 0.043 0.072 0.000 0.043 0.000 3/18000 Thermal conductivity related properties were written into "kappa-m555.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:42:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|