# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/d86eae77-f6a4-4265-b853-81ab3d61d0c2/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for SnHg2(SBr)2 / P2_1/c (14) / materials id 643460](https://mdr.nims.go.jp/datasets/d61b5456-7be2-4c72-9ee3-6450e2e8a88a) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 21:11:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 16------------------------------ primitive cell ------------------------------Lattice vectors: a 9.231517650157645 0.000000000000000 0.000000000000000 b 0.000000000000000 8.013840560000002 0.000000000000000 c -6.822627407993747 0.000000000000000 10.360496707995273Atomic positions (fractional): *1 Sn 0.85417305304004 0.58141471896263 0.57972820583647 118.710 2 Sn 0.85417305304004 0.91858528103737 0.07972820583647 118.710 3 Sn 0.14582694695996 0.41858528103737 0.42027179416353 118.710 4 Sn 0.14582694695996 0.08141471896263 0.92027179416353 118.710 *5 Hg 0.75967449066395 0.44821713590967 0.88482691129479 200.590 6 Hg 0.75967449066395 0.05178286409033 0.38482691129479 200.590 7 Hg 0.24032550933605 0.55178286409033 0.11517308870521 200.590 8 Hg 0.24032550933605 0.94821713590967 0.61517308870521 200.590 *9 Hg 0.58972050977605 0.18254440989756 0.61996656970012 200.590 10 Hg 0.58972050977605 0.31745559010244 0.11996656970012 200.590 11 Hg 0.41027949022395 0.81745559010244 0.38003343029988 200.590 12 Hg 0.41027949022395 0.68254440989756 0.88003343029988 200.590 *13 S 0.85796390345374 0.31655371903777 0.76562746269239 32.065 14 S 0.85796390345374 0.18344628096223 0.26562746269239 32.065 15 S 0.14203609654626 0.68344628096223 0.23437253730761 32.065 16 S 0.14203609654626 0.81655371903777 0.73437253730761 32.065 *17 S 0.70036240005213 0.58567685179637 0.02523328941771 32.065 18 S 0.70036240005213 0.91432314820363 0.52523328941771 32.065 19 S 0.29963759994787 0.41432314820363 0.97476671058229 32.065 20 S 0.29963759994787 0.08567685179637 0.47476671058229 32.065 *21 Br 0.55609540082261 0.39213443910487 0.37922225428987 79.904 22 Br 0.55609540082261 0.10786556089513 0.87922225428987 79.904 23 Br 0.44390459917739 0.60786556089513 0.62077774571013 79.904 24 Br 0.44390459917739 0.89213443910487 0.12077774571013 79.904 *25 Br 0.90186879455435 0.67756122412982 0.38025586007526 79.904 26 Br 0.90186879455435 0.82243877587018 0.88025586007526 79.904 27 Br 0.09813120544565 0.32243877587018 0.61974413992474 79.904 28 Br 0.09813120544565 0.17756122412982 0.11974413992475 79.904-------------------------------- unit cell ---------------------------------Lattice vectors: a 9.231517650157645 0.000000000000000 0.000000000000000 b 0.000000000000000 8.013840560000002 0.000000000000000 c -6.822627407993747 0.000000000000000 10.360496707995273Atomic positions (fractional): *1 Sn 0.85417305304004 0.58141471896263 0.57972820583647 118.710 > 1 2 Sn 0.85417305304004 0.91858528103737 0.07972820583647 118.710 > 2 3 Sn 0.14582694695996 0.41858528103737 0.42027179416353 118.710 > 3 4 Sn 0.14582694695996 0.08141471896263 0.92027179416353 118.710 > 4 *5 Hg 0.75967449066395 0.44821713590967 0.88482691129479 200.590 > 5 6 Hg 0.75967449066395 0.05178286409033 0.38482691129479 200.590 > 6 7 Hg 0.24032550933605 0.55178286409033 0.11517308870521 200.590 > 7 8 Hg 0.24032550933605 0.94821713590967 0.61517308870521 200.590 > 8 *9 Hg 0.58972050977605 0.18254440989756 0.61996656970012 200.590 > 9 10 Hg 0.58972050977605 0.31745559010244 0.11996656970012 200.590 > 10 11 Hg 0.41027949022395 0.81745559010244 0.38003343029988 200.590 > 11 12 Hg 0.41027949022395 0.68254440989756 0.88003343029988 200.590 > 12 *13 S 0.85796390345374 0.31655371903777 0.76562746269239 32.065 > 13 14 S 0.85796390345374 0.18344628096223 0.26562746269239 32.065 > 14 15 S 0.14203609654626 0.68344628096223 0.23437253730761 32.065 > 15 16 S 0.14203609654626 0.81655371903777 0.73437253730761 32.065 > 16 *17 S 0.70036240005213 0.58567685179637 0.02523328941771 32.065 > 17 18 S 0.70036240005213 0.91432314820363 0.52523328941771 32.065 > 18 19 S 0.29963759994787 0.41432314820363 0.97476671058229 32.065 > 19 20 S 0.29963759994787 0.08567685179637 0.47476671058229 32.065 > 20 *21 Br 0.55609540082261 0.39213443910487 0.37922225428987 79.904 > 21 22 Br 0.55609540082261 0.10786556089513 0.87922225428987 79.904 > 22 23 Br 0.44390459917739 0.60786556089513 0.62077774571013 79.904 > 23 24 Br 0.44390459917739 0.89213443910487 0.12077774571013 79.904 > 24 *25 Br 0.90186879455435 0.67756122412982 0.38025586007526 79.904 > 25 26 Br 0.90186879455435 0.82243877587018 0.88025586007526 79.904 > 26 27 Br 0.09813120544565 0.32243877587018 0.61974413992474 79.904 > 27 28 Br 0.09813120544565 0.17756122412982 0.11974413992475 79.904 > 28-------------------------------- super cell --------------------------------Lattice vectors: a 18.463035300315290 0.000000000000000 0.000000000000000 b 0.000000000000000 16.027681120000004 0.000000000000000 c -6.822627407993747 0.000000000000000 10.360496707995273Atomic positions (fractional): *1 Sn 0.42708652652002 0.29070735948132 0.57972820583647 118.710 > 1 2 Sn 0.92708652652002 0.29070735948132 0.57972820583647 118.710 > 1 3 Sn 0.42708652652002 0.79070735948132 0.57972820583647 118.710 > 1 4 Sn 0.92708652652002 0.79070735948132 0.57972820583647 118.710 > 1 5 Sn 0.42708652652002 0.45929264051868 0.07972820583647 118.710 > 2 6 Sn 0.92708652652002 0.45929264051868 0.07972820583647 118.710 > 2 7 Sn 0.42708652652002 0.95929264051868 0.07972820583647 118.710 > 2 8 Sn 0.92708652652002 0.95929264051868 0.07972820583647 118.710 > 2 9 Sn 0.07291347347998 0.20929264051868 0.42027179416353 118.710 > 3 10 Sn 0.57291347347998 0.20929264051868 0.42027179416353 118.710 > 3 11 Sn 0.07291347347998 0.70929264051868 0.42027179416353 118.710 > 3 12 Sn 0.57291347347998 0.70929264051868 0.42027179416353 118.710 > 3 13 Sn 0.07291347347998 0.04070735948132 0.92027179416353 118.710 > 4 14 Sn 0.57291347347998 0.04070735948132 0.92027179416353 118.710 > 4 15 Sn 0.07291347347998 0.54070735948132 0.92027179416353 118.710 > 4 16 Sn 0.57291347347998 0.54070735948132 0.92027179416353 118.710 > 4 *17 Hg 0.37983724533197 0.22410856795484 0.88482691129479 200.590 > 5 18 Hg 0.87983724533197 0.22410856795484 0.88482691129479 200.590 > 5 19 Hg 0.37983724533197 0.72410856795484 0.88482691129479 200.590 > 5 20 Hg 0.87983724533197 0.72410856795484 0.88482691129479 200.590 > 5 21 Hg 0.37983724533197 0.02589143204516 0.38482691129479 200.590 > 6 22 Hg 0.87983724533197 0.02589143204516 0.38482691129479 200.590 > 6 23 Hg 0.37983724533197 0.52589143204516 0.38482691129479 200.590 > 6 24 Hg 0.87983724533197 0.52589143204516 0.38482691129479 200.590 > 6 25 Hg 0.12016275466803 0.27589143204516 0.11517308870521 200.590 > 7 26 Hg 0.62016275466803 0.27589143204516 0.11517308870521 200.590 > 7 27 Hg 0.12016275466803 0.77589143204516 0.11517308870521 200.590 > 7 28 Hg 0.62016275466803 0.77589143204516 0.11517308870521 200.590 > 7 29 Hg 0.12016275466803 0.47410856795484 0.61517308870521 200.590 > 8 30 Hg 0.62016275466803 0.47410856795484 0.61517308870521 200.590 > 8 31 Hg 0.12016275466803 0.97410856795484 0.61517308870521 200.590 > 8 32 Hg 0.62016275466803 0.97410856795484 0.61517308870521 200.590 > 8 *33 Hg 0.29486025488802 0.09127220494878 0.61996656970012 200.590 > 9 34 Hg 0.79486025488802 0.09127220494878 0.61996656970012 200.590 > 9 35 Hg 0.29486025488802 0.59127220494878 0.61996656970012 200.590 > 9 36 Hg 0.79486025488802 0.59127220494878 0.61996656970012 200.590 > 9 37 Hg 0.29486025488802 0.15872779505122 0.11996656970012 200.590 > 10 38 Hg 0.79486025488802 0.15872779505122 0.11996656970012 200.590 > 10 39 Hg 0.29486025488802 0.65872779505122 0.11996656970012 200.590 > 10 40 Hg 0.79486025488802 0.65872779505122 0.11996656970012 200.590 > 10 41 Hg 0.20513974511198 0.40872779505122 0.38003343029988 200.590 > 11 42 Hg 0.70513974511198 0.40872779505122 0.38003343029988 200.590 > 11 43 Hg 0.20513974511198 0.90872779505122 0.38003343029988 200.590 > 11 44 Hg 0.70513974511198 0.90872779505122 0.38003343029988 200.590 > 11 45 Hg 0.20513974511198 0.34127220494878 0.88003343029988 200.590 > 12 46 Hg 0.70513974511198 0.34127220494878 0.88003343029988 200.590 > 12 47 Hg 0.20513974511198 0.84127220494878 0.88003343029988 200.590 > 12 48 Hg 0.70513974511198 0.84127220494878 0.88003343029988 200.590 > 12 *49 S 0.42898195172687 0.15827685951888 0.76562746269239 32.065 > 13 50 S 0.92898195172687 0.15827685951888 0.76562746269239 32.065 > 13 51 S 0.42898195172687 0.65827685951888 0.76562746269239 32.065 > 13 52 S 0.92898195172687 0.65827685951888 0.76562746269239 32.065 > 13 53 S 0.42898195172687 0.09172314048112 0.26562746269239 32.065 > 14 54 S 0.92898195172687 0.09172314048112 0.26562746269239 32.065 > 14 55 S 0.42898195172687 0.59172314048112 0.26562746269239 32.065 > 14 56 S 0.92898195172687 0.59172314048112 0.26562746269239 32.065 > 14 57 S 0.07101804827313 0.34172314048112 0.23437253730761 32.065 > 15 58 S 0.57101804827313 0.34172314048112 0.23437253730761 32.065 > 15 59 S 0.07101804827313 0.84172314048112 0.23437253730761 32.065 > 15 60 S 0.57101804827313 0.84172314048112 0.23437253730761 32.065 > 15 61 S 0.07101804827313 0.40827685951888 0.73437253730761 32.065 > 16 62 S 0.57101804827313 0.40827685951888 0.73437253730761 32.065 > 16 63 S 0.07101804827313 0.90827685951888 0.73437253730761 32.065 > 16 64 S 0.57101804827313 0.90827685951888 0.73437253730761 32.065 > 16 *65 S 0.35018120002606 0.29283842589819 0.02523328941771 32.065 > 17 66 S 0.85018120002606 0.29283842589819 0.02523328941771 32.065 > 17 67 S 0.35018120002606 0.79283842589819 0.02523328941771 32.065 > 17 68 S 0.85018120002606 0.79283842589819 0.02523328941771 32.065 > 17 69 S 0.35018120002606 0.45716157410181 0.52523328941771 32.065 > 18 70 S 0.85018120002606 0.45716157410181 0.52523328941771 32.065 > 18 71 S 0.35018120002606 0.95716157410181 0.52523328941771 32.065 > 18 72 S 0.85018120002606 0.95716157410181 0.52523328941771 32.065 > 18 73 S 0.14981879997394 0.20716157410181 0.97476671058229 32.065 > 19 74 S 0.64981879997394 0.20716157410181 0.97476671058229 32.065 > 19 75 S 0.14981879997394 0.70716157410181 0.97476671058229 32.065 > 19 76 S 0.64981879997394 0.70716157410181 0.97476671058229 32.065 > 19 77 S 0.14981879997394 0.04283842589819 0.47476671058229 32.065 > 20 78 S 0.64981879997394 0.04283842589819 0.47476671058229 32.065 > 20 79 S 0.14981879997394 0.54283842589819 0.47476671058229 32.065 > 20 80 S 0.64981879997394 0.54283842589819 0.47476671058229 32.065 > 20 *81 Br 0.27804770041130 0.19606721955243 0.37922225428987 79.904 > 21 82 Br 0.77804770041130 0.19606721955243 0.37922225428987 79.904 > 21 83 Br 0.27804770041130 0.69606721955243 0.37922225428987 79.904 > 21 84 Br 0.77804770041130 0.69606721955243 0.37922225428987 79.904 > 21 85 Br 0.27804770041130 0.05393278044757 0.87922225428987 79.904 > 22 86 Br 0.77804770041130 0.05393278044757 0.87922225428987 79.904 > 22 87 Br 0.27804770041130 0.55393278044757 0.87922225428987 79.904 > 22 88 Br 0.77804770041130 0.55393278044757 0.87922225428987 79.904 > 22 89 Br 0.22195229958870 0.30393278044757 0.62077774571013 79.904 > 23 90 Br 0.72195229958870 0.30393278044757 0.62077774571013 79.904 > 23 91 Br 0.22195229958870 0.80393278044757 0.62077774571013 79.904 > 23 92 Br 0.72195229958870 0.80393278044757 0.62077774571013 79.904 > 23 93 Br 0.22195229958870 0.44606721955243 0.12077774571013 79.904 > 24 94 Br 0.72195229958870 0.44606721955243 0.12077774571013 79.904 > 24 95 Br 0.22195229958870 0.94606721955243 0.12077774571013 79.904 > 24 96 Br 0.72195229958870 0.94606721955243 0.12077774571013 79.904 > 24 *97 Br 0.45093439727718 0.33878061206491 0.38025586007526 79.904 > 25 98 Br 0.95093439727718 0.33878061206491 0.38025586007526 79.904 > 25 99 Br 0.45093439727718 0.83878061206491 0.38025586007526 79.904 > 25 100 Br 0.95093439727718 0.83878061206491 0.38025586007526 79.904 > 25 101 Br 0.45093439727718 0.41121938793509 0.88025586007526 79.904 > 26 102 Br 0.95093439727718 0.41121938793509 0.88025586007526 79.904 > 26 103 Br 0.45093439727718 0.91121938793509 0.88025586007526 79.904 > 26 104 Br 0.95093439727718 0.91121938793509 0.88025586007526 79.904 > 26 105 Br 0.04906560272282 0.16121938793509 0.61974413992474 79.904 > 27 106 Br 0.54906560272282 0.16121938793509 0.61974413992474 79.904 > 27 107 Br 0.04906560272282 0.66121938793509 0.61974413992474 79.904 > 27 108 Br 0.54906560272282 0.66121938793509 0.61974413992474 79.904 > 27 109 Br 0.04906560272282 0.08878061206491 0.11974413992475 79.904 > 28 110 Br 0.54906560272282 0.08878061206491 0.11974413992475 79.904 > 28 111 Br 0.04906560272282 0.58878061206491 0.11974413992475 79.904 > 28 112 Br 0.54906560272282 0.58878061206491 0.11974413992475 79.904 > 28----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.2336455 0.0000000 -0.0046027 0.0000000 7.3477195 0.0000000 -0.0045979 0.0000000 6.6533675-------------------------- Born effective charges -------------------------- 1 Sn 3.6622984 0.4419908 0.1879072 0.2664321 4.5931023 0.0215274 0.3393240 0.0098965 3.1741753 2 Sn 3.6622984 -0.4419908 0.1879072 -0.2664321 4.5931023 -0.0215274 0.3393240 -0.0098965 3.1741753 3 Sn 3.6622984 0.4419908 0.1879072 0.2664321 4.5931023 0.0215274 0.3393240 0.0098965 3.1741753 4 Sn 3.6622984 -0.4419908 0.1879072 -0.2664321 4.5931023 -0.0215274 0.3393240 -0.0098965 3.1741753 5 Hg 1.7059098 -0.4342589 -0.5764611 -0.4966862 1.9011415 0.4206472 -0.4920512 0.2773312 1.5753951 6 Hg 1.7059098 0.4342589 -0.5764611 0.4966862 1.9011415 -0.4206472 -0.4920512 -0.2773312 1.5753951 7 Hg 1.7059098 -0.4342589 -0.5764611 -0.4966862 1.9011415 0.4206472 -0.4920512 0.2773312 1.5753951 8 Hg 1.7059098 0.4342589 -0.5764611 0.4966862 1.9011415 -0.4206472 -0.4920512 -0.2773312 1.5753951 9 Hg 2.1960289 0.1154986 0.2340321 0.0492274 1.7340038 0.5548962 -0.0061039 0.6264038 1.8993177 10 Hg 2.1960289 -0.1154986 0.2340321 -0.0492274 1.7340038 -0.5548962 -0.0061039 -0.6264038 1.8993177 11 Hg 2.1960289 0.1154986 0.2340321 0.0492274 1.7340038 0.5548962 -0.0061039 0.6264038 1.8993177 12 Hg 2.1960289 -0.1154986 0.2340321 -0.0492274 1.7340038 -0.5548962 -0.0061039 -0.6264038 1.8993177 13 S -1.7457982 0.1905466 0.1304123 0.3076018 -1.8132890 0.1764665 -0.2279568 0.3819889 -1.6833167 14 S -1.7457982 -0.1905466 0.1304123 -0.3076018 -1.8132890 -0.1764665 -0.2279568 -0.3819889 -1.6833167 15 S -1.7457982 0.1905466 0.1304123 0.3076018 -1.8132890 0.1764665 -0.2279568 0.3819889 -1.6833167 16 S -1.7457982 -0.1905466 0.1304123 -0.3076018 -1.8132890 -0.1764665 -0.2279568 -0.3819889 -1.6833167 17 S -2.0240507 -0.4294916 -0.0880922 -0.4172760 -2.3903182 -0.1525531 0.1349164 -0.0652360 -1.0869681 18 S -2.0240507 0.4294916 -0.0880922 0.4172760 -2.3903182 0.1525531 0.1349164 0.0652360 -1.0869681 19 S -2.0240507 -0.4294916 -0.0880922 -0.4172760 -2.3903182 -0.1525531 0.1349164 -0.0652360 -1.0869681 20 S -2.0240507 0.4294916 -0.0880922 0.4172760 -2.3903182 0.1525531 0.1349164 0.0652360 -1.0869681 21 Br -1.6800237 -0.1342145 -0.5920408 -0.1344890 -1.9878830 -0.4555750 -0.3094359 -0.2506323 -2.3412585 22 Br -1.6800237 0.1342145 -0.5920408 0.1344890 -1.9878830 0.4555750 -0.3094359 0.2506323 -2.3412585 23 Br -1.6800237 -0.1342145 -0.5920408 -0.1344890 -1.9878830 -0.4555750 -0.3094359 -0.2506323 -2.3412585 24 Br -1.6800237 0.1342145 -0.5920408 0.1344890 -1.9878830 0.4555750 -0.3094359 0.2506323 -2.3412585 25 Br -2.1143645 0.5302907 0.7042424 0.7216119 -2.0367574 0.3443374 0.5613075 0.3651738 -1.5373447 26 Br -2.1143645 -0.5302907 0.7042424 -0.7216119 -2.0367574 -0.3443374 0.5613075 -0.3651738 -1.5373447 27 Br -2.1143645 0.5302907 0.7042424 0.7216119 -2.0367574 0.3443374 0.5613075 0.3651738 -1.5373447 28 Br -2.1143645 -0.5302907 0.7042424 -0.7216119 -2.0367574 -0.3443374 0.5613075 -0.3651738 -1.5373447----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 336/336Permutation basis: 14448/14448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3654Number of blocks in projector: 3654Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 784 / 784(1) 272 eigenvectors found.(1) Complementary block size: 26(1) Compute compressed projector.(1) Use standard solver.(1) 12 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 784 / 784(1) 272 eigenvectors found.(1) Complementary block size: 26(1) Compute compressed projector.(1) Use standard solver.(1) 12 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 487 eigenvectors found.(1) Block: 784 / 784(1) 275 eigenvectors found.(1) Complementary block size: 22(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 434Use standard eigh solver.Tree of FC basis block matrices:- (3654, 3592), data: False|-- (434, 427), data: True|-- (434, 427), data: True|-- (434, 427), data: True|-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True|-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 880 - Time: 1.009Solver_block: 200 / 880 - Time: 0.952Solver_block: 300 / 880 - Time: 0.952Solver_block: 400 / 880 - Time: 0.952Solver_block: 500 / 880 - Time: 0.947Solver_block: 600 / 880 - Time: 0.956Solver_block: 700 / 880 - Time: 0.954Solver_block: 800 / 880 - Time: 0.944Solver_block: 880 / 880 - Time: 0.798Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.637--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336Permutation basis: 14448/14448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3654Number of blocks in projector: 3654Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 784 / 784(1) 272 eigenvectors found.(1) Complementary block size: 26(1) Compute compressed projector.(1) Use standard solver.(1) 12 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 784 / 784(1) 272 eigenvectors found.(1) Complementary block size: 26(1) Compute compressed projector.(1) Use standard solver.(1) 12 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 487 eigenvectors found.(1) Block: 784 / 784(1) 275 eigenvectors found.(1) Complementary block size: 22(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 434Use standard eigh solver.Tree of FC basis block matrices:- (3654, 3592), data: False|-- (434, 427), data: True|-- (434, 427), data: True|-- (434, 427), data: True|-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True|-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 21:12:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:12:36]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.231517650157645 0.000000000000000 0.000000000000000 b 0.000000000000000 8.013840560000002 0.000000000000000 c -6.822627407993747 0.000000000000000 10.360496707995273Atomic positions (fractional): 1 Sn 0.85417305304004 0.58141471896263 0.57972820583647 118.710 2 Sn 0.85417305304004 0.91858528103737 0.07972820583647 118.710 3 Sn 0.14582694695996 0.41858528103737 0.42027179416353 118.710 4 Sn 0.14582694695996 0.08141471896263 0.92027179416353 118.710 5 Hg 0.75967449066395 0.44821713590967 0.88482691129479 200.590 6 Hg 0.75967449066395 0.05178286409033 0.38482691129479 200.590 7 Hg 0.24032550933605 0.55178286409033 0.11517308870521 200.590 8 Hg 0.24032550933605 0.94821713590967 0.61517308870521 200.590 9 Hg 0.58972050977605 0.18254440989756 0.61996656970012 200.590 10 Hg 0.58972050977605 0.31745559010244 0.11996656970012 200.590 11 Hg 0.41027949022395 0.81745559010244 0.38003343029988 200.590 12 Hg 0.41027949022395 0.68254440989756 0.88003343029988 200.590 13 S 0.85796390345374 0.31655371903777 0.76562746269239 32.065 14 S 0.85796390345374 0.18344628096223 0.26562746269239 32.065 15 S 0.14203609654626 0.68344628096223 0.23437253730761 32.065 16 S 0.14203609654626 0.81655371903777 0.73437253730761 32.065 17 S 0.70036240005213 0.58567685179637 0.02523328941771 32.065 18 S 0.70036240005213 0.91432314820363 0.52523328941771 32.065 19 S 0.29963759994787 0.41432314820363 0.97476671058229 32.065 20 S 0.29963759994787 0.08567685179637 0.47476671058229 32.065 21 Br 0.55609540082261 0.39213443910487 0.37922225428987 79.904 22 Br 0.55609540082261 0.10786556089513 0.87922225428987 79.904 23 Br 0.44390459917739 0.60786556089513 0.62077774571013 79.904 24 Br 0.44390459917739 0.89213443910487 0.12077774571013 79.904 25 Br 0.90186879455435 0.67756122412982 0.38025586007526 79.904 26 Br 0.90186879455435 0.82243877587018 0.88025586007526 79.904 27 Br 0.09813120544565 0.32243877587018 0.61974413992474 79.904 28 Br 0.09813120544565 0.17756122412982 0.11974413992475 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 18.463035300315290 0.000000000000000 0.000000000000000 b 0.000000000000000 16.027681120000004 0.000000000000000 c -6.822627407993747 0.000000000000000 10.360496707995273Atomic positions (fractional): 1 Sn 0.42708652652002 0.29070735948132 0.57972820583647 118.710 > 1 2 Sn 0.92708652652002 0.29070735948132 0.57972820583647 118.710 > 1 3 Sn 0.42708652652002 0.79070735948132 0.57972820583647 118.710 > 1 4 Sn 0.92708652652002 0.79070735948132 0.57972820583647 118.710 > 1 5 Sn 0.42708652652002 0.45929264051868 0.07972820583647 118.710 > 5 6 Sn 0.92708652652002 0.45929264051868 0.07972820583647 118.710 > 5 7 Sn 0.42708652652002 0.95929264051868 0.07972820583647 118.710 > 5 8 Sn 0.92708652652002 0.95929264051868 0.07972820583647 118.710 > 5 9 Sn 0.07291347347998 0.20929264051868 0.42027179416353 118.710 > 9 10 Sn 0.57291347347998 0.20929264051868 0.42027179416353 118.710 > 9 11 Sn 0.07291347347998 0.70929264051868 0.42027179416353 118.710 > 9 12 Sn 0.57291347347998 0.70929264051868 0.42027179416353 118.710 > 9 13 Sn 0.07291347347998 0.04070735948132 0.92027179416353 118.710 > 13 14 Sn 0.57291347347998 0.04070735948132 0.92027179416353 118.710 > 13 15 Sn 0.07291347347998 0.54070735948132 0.92027179416353 118.710 > 13 16 Sn 0.57291347347998 0.54070735948132 0.92027179416353 118.710 > 13 17 Hg 0.37983724533197 0.22410856795484 0.88482691129479 200.590 > 17 18 Hg 0.87983724533197 0.22410856795484 0.88482691129479 200.590 > 17 19 Hg 0.37983724533197 0.72410856795484 0.88482691129479 200.590 > 17 20 Hg 0.87983724533197 0.72410856795484 0.88482691129479 200.590 > 17 21 Hg 0.37983724533197 0.02589143204516 0.38482691129479 200.590 > 21 22 Hg 0.87983724533197 0.02589143204516 0.38482691129479 200.590 > 21 23 Hg 0.37983724533197 0.52589143204516 0.38482691129479 200.590 > 21 24 Hg 0.87983724533197 0.52589143204516 0.38482691129479 200.590 > 21 25 Hg 0.12016275466803 0.27589143204516 0.11517308870521 200.590 > 25 26 Hg 0.62016275466803 0.27589143204516 0.11517308870521 200.590 > 25 27 Hg 0.12016275466803 0.77589143204516 0.11517308870521 200.590 > 25 28 Hg 0.62016275466803 0.77589143204516 0.11517308870521 200.590 > 25 29 Hg 0.12016275466803 0.47410856795484 0.61517308870521 200.590 > 29 30 Hg 0.62016275466803 0.47410856795484 0.61517308870521 200.590 > 29 31 Hg 0.12016275466803 0.97410856795484 0.61517308870521 200.590 > 29 32 Hg 0.62016275466803 0.97410856795484 0.61517308870521 200.590 > 29 33 Hg 0.29486025488802 0.09127220494878 0.61996656970012 200.590 > 33 34 Hg 0.79486025488802 0.09127220494878 0.61996656970012 200.590 > 33 35 Hg 0.29486025488802 0.59127220494878 0.61996656970012 200.590 > 33 36 Hg 0.79486025488802 0.59127220494878 0.61996656970012 200.590 > 33 37 Hg 0.29486025488802 0.15872779505122 0.11996656970012 200.590 > 37 38 Hg 0.79486025488802 0.15872779505122 0.11996656970012 200.590 > 37 39 Hg 0.29486025488802 0.65872779505122 0.11996656970012 200.590 > 37 40 Hg 0.79486025488802 0.65872779505122 0.11996656970012 200.590 > 37 41 Hg 0.20513974511198 0.40872779505122 0.38003343029988 200.590 > 41 42 Hg 0.70513974511198 0.40872779505122 0.38003343029988 200.590 > 41 43 Hg 0.20513974511198 0.90872779505122 0.38003343029988 200.590 > 41 44 Hg 0.70513974511198 0.90872779505122 0.38003343029988 200.590 > 41 45 Hg 0.20513974511198 0.34127220494878 0.88003343029988 200.590 > 45 46 Hg 0.70513974511198 0.34127220494878 0.88003343029988 200.590 > 45 47 Hg 0.20513974511198 0.84127220494878 0.88003343029988 200.590 > 45 48 Hg 0.70513974511198 0.84127220494878 0.88003343029988 200.590 > 45 49 S 0.42898195172687 0.15827685951888 0.76562746269239 32.065 > 49 50 S 0.92898195172687 0.15827685951888 0.76562746269239 32.065 > 49 51 S 0.42898195172687 0.65827685951888 0.76562746269239 32.065 > 49 52 S 0.92898195172687 0.65827685951888 0.76562746269239 32.065 > 49 53 S 0.42898195172687 0.09172314048112 0.26562746269239 32.065 > 53 54 S 0.92898195172687 0.09172314048112 0.26562746269239 32.065 > 53 55 S 0.42898195172687 0.59172314048112 0.26562746269239 32.065 > 53 56 S 0.92898195172687 0.59172314048112 0.26562746269239 32.065 > 53 57 S 0.07101804827313 0.34172314048112 0.23437253730761 32.065 > 57 58 S 0.57101804827313 0.34172314048112 0.23437253730761 32.065 > 57 59 S 0.07101804827313 0.84172314048112 0.23437253730761 32.065 > 57 60 S 0.57101804827313 0.84172314048112 0.23437253730761 32.065 > 57 61 S 0.07101804827313 0.40827685951888 0.73437253730761 32.065 > 61 62 S 0.57101804827313 0.40827685951888 0.73437253730761 32.065 > 61 63 S 0.07101804827313 0.90827685951888 0.73437253730761 32.065 > 61 64 S 0.57101804827313 0.90827685951888 0.73437253730761 32.065 > 61 65 S 0.35018120002606 0.29283842589819 0.02523328941771 32.065 > 65 66 S 0.85018120002606 0.29283842589819 0.02523328941771 32.065 > 65 67 S 0.35018120002606 0.79283842589819 0.02523328941771 32.065 > 65 68 S 0.85018120002606 0.79283842589819 0.02523328941771 32.065 > 65 69 S 0.35018120002606 0.45716157410181 0.52523328941771 32.065 > 69 70 S 0.85018120002606 0.45716157410181 0.52523328941771 32.065 > 69 71 S 0.35018120002606 0.95716157410181 0.52523328941771 32.065 > 69 72 S 0.85018120002606 0.95716157410181 0.52523328941771 32.065 > 69 73 S 0.14981879997394 0.20716157410181 0.97476671058229 32.065 > 73 74 S 0.64981879997394 0.20716157410181 0.97476671058229 32.065 > 73 75 S 0.14981879997394 0.70716157410181 0.97476671058229 32.065 > 73 76 S 0.64981879997394 0.70716157410181 0.97476671058229 32.065 > 73 77 S 0.14981879997394 0.04283842589819 0.47476671058229 32.065 > 77 78 S 0.64981879997394 0.04283842589819 0.47476671058229 32.065 > 77 79 S 0.14981879997394 0.54283842589819 0.47476671058229 32.065 > 77 80 S 0.64981879997394 0.54283842589819 0.47476671058229 32.065 > 77 81 Br 0.27804770041130 0.19606721955243 0.37922225428987 79.904 > 81 82 Br 0.77804770041130 0.19606721955243 0.37922225428987 79.904 > 81 83 Br 0.27804770041130 0.69606721955243 0.37922225428987 79.904 > 81 84 Br 0.77804770041130 0.69606721955243 0.37922225428987 79.904 > 81 85 Br 0.27804770041130 0.05393278044757 0.87922225428987 79.904 > 85 86 Br 0.77804770041130 0.05393278044757 0.87922225428987 79.904 > 85 87 Br 0.27804770041130 0.55393278044757 0.87922225428987 79.904 > 85 88 Br 0.77804770041130 0.55393278044757 0.87922225428987 79.904 > 85 89 Br 0.22195229958870 0.30393278044757 0.62077774571013 79.904 > 89 90 Br 0.72195229958870 0.30393278044757 0.62077774571013 79.904 > 89 91 Br 0.22195229958870 0.80393278044757 0.62077774571013 79.904 > 89 92 Br 0.72195229958870 0.80393278044757 0.62077774571013 79.904 > 89 93 Br 0.22195229958870 0.44606721955243 0.12077774571013 79.904 > 93 94 Br 0.72195229958870 0.44606721955243 0.12077774571013 79.904 > 93 95 Br 0.22195229958870 0.94606721955243 0.12077774571013 79.904 > 93 96 Br 0.72195229958870 0.94606721955243 0.12077774571013 79.904 > 93 97 Br 0.45093439727718 0.33878061206491 0.38025586007526 79.904 > 97 98 Br 0.95093439727718 0.33878061206491 0.38025586007526 79.904 > 97 99 Br 0.45093439727718 0.83878061206491 0.38025586007526 79.904 > 97 100 Br 0.95093439727718 0.83878061206491 0.38025586007526 79.904 > 97 101 Br 0.45093439727718 0.41121938793509 0.88025586007526 79.904 > 101 102 Br 0.95093439727718 0.41121938793509 0.88025586007526 79.904 > 101 103 Br 0.45093439727718 0.91121938793509 0.88025586007526 79.904 > 101 104 Br 0.95093439727718 0.91121938793509 0.88025586007526 79.904 > 101 105 Br 0.04906560272282 0.16121938793509 0.61974413992474 79.904 > 105 106 Br 0.54906560272282 0.16121938793509 0.61974413992474 79.904 > 105 107 Br 0.04906560272282 0.66121938793509 0.61974413992474 79.904 > 105 108 Br 0.54906560272282 0.66121938793509 0.61974413992474 79.904 > 105 109 Br 0.04906560272282 0.08878061206491 0.11974413992475 79.904 > 109 110 Br 0.54906560272282 0.08878061206491 0.11974413992475 79.904 > 109 111 Br 0.04906560272282 0.58878061206491 0.11974413992475 79.904 > 109 112 Br 0.54906560272282 0.58878061206491 0.11974413992475 79.904 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.2336455 0.0000000 -0.0046027 0.0000000 7.3477195 0.0000000 -0.0045979 0.0000000 6.6533675-------------------------- Born effective charges -------------------------- 1 Sn 3.6622984 0.4419908 0.1879072 0.2664321 4.5931023 0.0215274 0.3393240 0.0098965 3.1741753 2 Sn 3.6622984 -0.4419908 0.1879072 -0.2664321 4.5931023 -0.0215274 0.3393240 -0.0098965 3.1741753 3 Sn 3.6622984 0.4419908 0.1879072 0.2664321 4.5931023 0.0215274 0.3393240 0.0098965 3.1741753 4 Sn 3.6622984 -0.4419908 0.1879072 -0.2664321 4.5931023 -0.0215274 0.3393240 -0.0098965 3.1741753 5 Hg 1.7059098 -0.4342589 -0.5764611 -0.4966862 1.9011415 0.4206472 -0.4920512 0.2773312 1.5753951 6 Hg 1.7059098 0.4342589 -0.5764611 0.4966862 1.9011415 -0.4206472 -0.4920512 -0.2773312 1.5753951 7 Hg 1.7059098 -0.4342589 -0.5764611 -0.4966862 1.9011415 0.4206472 -0.4920512 0.2773312 1.5753951 8 Hg 1.7059098 0.4342589 -0.5764611 0.4966862 1.9011415 -0.4206472 -0.4920512 -0.2773312 1.5753951 9 Hg 2.1960289 0.1154986 0.2340321 0.0492274 1.7340038 0.5548962 -0.0061039 0.6264038 1.8993177 10 Hg 2.1960289 -0.1154986 0.2340321 -0.0492274 1.7340038 -0.5548962 -0.0061039 -0.6264038 1.8993177 11 Hg 2.1960289 0.1154986 0.2340321 0.0492274 1.7340038 0.5548962 -0.0061039 0.6264038 1.8993177 12 Hg 2.1960289 -0.1154986 0.2340321 -0.0492274 1.7340038 -0.5548962 -0.0061039 -0.6264038 1.8993177 13 S -1.7457982 0.1905466 0.1304123 0.3076018 -1.8132890 0.1764665 -0.2279568 0.3819889 -1.6833167 14 S -1.7457982 -0.1905466 0.1304123 -0.3076018 -1.8132890 -0.1764665 -0.2279568 -0.3819889 -1.6833167 15 S -1.7457982 0.1905466 0.1304123 0.3076018 -1.8132890 0.1764665 -0.2279568 0.3819889 -1.6833167 16 S -1.7457982 -0.1905466 0.1304123 -0.3076018 -1.8132890 -0.1764665 -0.2279568 -0.3819889 -1.6833167 17 S -2.0240507 -0.4294916 -0.0880922 -0.4172760 -2.3903182 -0.1525531 0.1349164 -0.0652360 -1.0869681 18 S -2.0240507 0.4294916 -0.0880922 0.4172760 -2.3903182 0.1525531 0.1349164 0.0652360 -1.0869681 19 S -2.0240507 -0.4294916 -0.0880922 -0.4172760 -2.3903182 -0.1525531 0.1349164 -0.0652360 -1.0869681 20 S -2.0240507 0.4294916 -0.0880922 0.4172760 -2.3903182 0.1525531 0.1349164 0.0652360 -1.0869681 21 Br -1.6800237 -0.1342145 -0.5920408 -0.1344890 -1.9878830 -0.4555750 -0.3094359 -0.2506323 -2.3412585 22 Br -1.6800237 0.1342145 -0.5920408 0.1344890 -1.9878830 0.4555750 -0.3094359 0.2506323 -2.3412585 23 Br -1.6800237 -0.1342145 -0.5920408 -0.1344890 -1.9878830 -0.4555750 -0.3094359 -0.2506323 -2.3412585 24 Br -1.6800237 0.1342145 -0.5920408 0.1344890 -1.9878830 0.4555750 -0.3094359 0.2506323 -2.3412585 25 Br -2.1143645 0.5302907 0.7042424 0.7216119 -2.0367574 0.3443374 0.5613075 0.3651738 -1.5373447 26 Br -2.1143645 -0.5302907 0.7042424 -0.7216119 -2.0367574 -0.3443374 0.5613075 -0.3651738 -1.5373447 27 Br -2.1143645 0.5302907 0.7042424 0.7216119 -2.0367574 0.3443374 0.5613075 0.3651738 -1.5373447 28 Br -2.1143645 -0.5302907 0.7042424 -0.7216119 -2.0367574 -0.3443374 0.5613075 -0.3651738 -1.5373447----------------------------------------------------------------------------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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084]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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084]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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084]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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084]Computing fc3[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:13:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:13:08]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.231517650157645 0.000000000000000 0.000000000000000 b 0.000000000000000 8.013840560000002 0.000000000000000 c -6.822627407993747 0.000000000000000 10.360496707995273Atomic positions (fractional): 1 Sn 0.85417305304004 0.58141471896263 0.57972820583647 118.710 2 Sn 0.85417305304004 0.91858528103737 0.07972820583647 118.710 3 Sn 0.14582694695996 0.41858528103737 0.42027179416353 118.710 4 Sn 0.14582694695996 0.08141471896263 0.92027179416353 118.710 5 Hg 0.75967449066395 0.44821713590967 0.88482691129479 200.590 6 Hg 0.75967449066395 0.05178286409033 0.38482691129479 200.590 7 Hg 0.24032550933605 0.55178286409033 0.11517308870521 200.590 8 Hg 0.24032550933605 0.94821713590967 0.61517308870521 200.590 9 Hg 0.58972050977605 0.18254440989756 0.61996656970012 200.590 10 Hg 0.58972050977605 0.31745559010244 0.11996656970012 200.590 11 Hg 0.41027949022395 0.81745559010244 0.38003343029988 200.590 12 Hg 0.41027949022395 0.68254440989756 0.88003343029988 200.590 13 S 0.85796390345374 0.31655371903777 0.76562746269239 32.065 14 S 0.85796390345374 0.18344628096223 0.26562746269239 32.065 15 S 0.14203609654626 0.68344628096223 0.23437253730761 32.065 16 S 0.14203609654626 0.81655371903777 0.73437253730761 32.065 17 S 0.70036240005213 0.58567685179637 0.02523328941771 32.065 18 S 0.70036240005213 0.91432314820363 0.52523328941771 32.065 19 S 0.29963759994787 0.41432314820363 0.97476671058229 32.065 20 S 0.29963759994787 0.08567685179637 0.47476671058229 32.065 21 Br 0.55609540082261 0.39213443910487 0.37922225428987 79.904 22 Br 0.55609540082261 0.10786556089513 0.87922225428987 79.904 23 Br 0.44390459917739 0.60786556089513 0.62077774571013 79.904 24 Br 0.44390459917739 0.89213443910487 0.12077774571013 79.904 25 Br 0.90186879455435 0.67756122412982 0.38025586007526 79.904 26 Br 0.90186879455435 0.82243877587018 0.88025586007526 79.904 27 Br 0.09813120544565 0.32243877587018 0.61974413992474 79.904 28 Br 0.09813120544565 0.17756122412982 0.11974413992475 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 18.463035300315290 0.000000000000000 0.000000000000000 b 0.000000000000000 16.027681120000004 0.000000000000000 c -6.822627407993747 0.000000000000000 10.360496707995273Atomic positions (fractional): 1 Sn 0.42708652652002 0.29070735948132 0.57972820583647 118.710 > 1 2 Sn 0.92708652652002 0.29070735948132 0.57972820583647 118.710 > 1 3 Sn 0.42708652652002 0.79070735948132 0.57972820583647 118.710 > 1 4 Sn 0.92708652652002 0.79070735948132 0.57972820583647 118.710 > 1 5 Sn 0.42708652652002 0.45929264051868 0.07972820583647 118.710 > 5 6 Sn 0.92708652652002 0.45929264051868 0.07972820583647 118.710 > 5 7 Sn 0.42708652652002 0.95929264051868 0.07972820583647 118.710 > 5 8 Sn 0.92708652652002 0.95929264051868 0.07972820583647 118.710 > 5 9 Sn 0.07291347347998 0.20929264051868 0.42027179416353 118.710 > 9 10 Sn 0.57291347347998 0.20929264051868 0.42027179416353 118.710 > 9 11 Sn 0.07291347347998 0.70929264051868 0.42027179416353 118.710 > 9 12 Sn 0.57291347347998 0.70929264051868 0.42027179416353 118.710 > 9 13 Sn 0.07291347347998 0.04070735948132 0.92027179416353 118.710 > 13 14 Sn 0.57291347347998 0.04070735948132 0.92027179416353 118.710 > 13 15 Sn 0.07291347347998 0.54070735948132 0.92027179416353 118.710 > 13 16 Sn 0.57291347347998 0.54070735948132 0.92027179416353 118.710 > 13 17 Hg 0.37983724533197 0.22410856795484 0.88482691129479 200.590 > 17 18 Hg 0.87983724533197 0.22410856795484 0.88482691129479 200.590 > 17 19 Hg 0.37983724533197 0.72410856795484 0.88482691129479 200.590 > 17 20 Hg 0.87983724533197 0.72410856795484 0.88482691129479 200.590 > 17 21 Hg 0.37983724533197 0.02589143204516 0.38482691129479 200.590 > 21 22 Hg 0.87983724533197 0.02589143204516 0.38482691129479 200.590 > 21 23 Hg 0.37983724533197 0.52589143204516 0.38482691129479 200.590 > 21 24 Hg 0.87983724533197 0.52589143204516 0.38482691129479 200.590 > 21 25 Hg 0.12016275466803 0.27589143204516 0.11517308870521 200.590 > 25 26 Hg 0.62016275466803 0.27589143204516 0.11517308870521 200.590 > 25 27 Hg 0.12016275466803 0.77589143204516 0.11517308870521 200.590 > 25 28 Hg 0.62016275466803 0.77589143204516 0.11517308870521 200.590 > 25 29 Hg 0.12016275466803 0.47410856795484 0.61517308870521 200.590 > 29 30 Hg 0.62016275466803 0.47410856795484 0.61517308870521 200.590 > 29 31 Hg 0.12016275466803 0.97410856795484 0.61517308870521 200.590 > 29 32 Hg 0.62016275466803 0.97410856795484 0.61517308870521 200.590 > 29 33 Hg 0.29486025488802 0.09127220494878 0.61996656970012 200.590 > 33 34 Hg 0.79486025488802 0.09127220494878 0.61996656970012 200.590 > 33 35 Hg 0.29486025488802 0.59127220494878 0.61996656970012 200.590 > 33 36 Hg 0.79486025488802 0.59127220494878 0.61996656970012 200.590 > 33 37 Hg 0.29486025488802 0.15872779505122 0.11996656970012 200.590 > 37 38 Hg 0.79486025488802 0.15872779505122 0.11996656970012 200.590 > 37 39 Hg 0.29486025488802 0.65872779505122 0.11996656970012 200.590 > 37 40 Hg 0.79486025488802 0.65872779505122 0.11996656970012 200.590 > 37 41 Hg 0.20513974511198 0.40872779505122 0.38003343029988 200.590 > 41 42 Hg 0.70513974511198 0.40872779505122 0.38003343029988 200.590 > 41 43 Hg 0.20513974511198 0.90872779505122 0.38003343029988 200.590 > 41 44 Hg 0.70513974511198 0.90872779505122 0.38003343029988 200.590 > 41 45 Hg 0.20513974511198 0.34127220494878 0.88003343029988 200.590 > 45 46 Hg 0.70513974511198 0.34127220494878 0.88003343029988 200.590 > 45 47 Hg 0.20513974511198 0.84127220494878 0.88003343029988 200.590 > 45 48 Hg 0.70513974511198 0.84127220494878 0.88003343029988 200.590 > 45 49 S 0.42898195172687 0.15827685951888 0.76562746269239 32.065 > 49 50 S 0.92898195172687 0.15827685951888 0.76562746269239 32.065 > 49 51 S 0.42898195172687 0.65827685951888 0.76562746269239 32.065 > 49 52 S 0.92898195172687 0.65827685951888 0.76562746269239 32.065 > 49 53 S 0.42898195172687 0.09172314048112 0.26562746269239 32.065 > 53 54 S 0.92898195172687 0.09172314048112 0.26562746269239 32.065 > 53 55 S 0.42898195172687 0.59172314048112 0.26562746269239 32.065 > 53 56 S 0.92898195172687 0.59172314048112 0.26562746269239 32.065 > 53 57 S 0.07101804827313 0.34172314048112 0.23437253730761 32.065 > 57 58 S 0.57101804827313 0.34172314048112 0.23437253730761 32.065 > 57 59 S 0.07101804827313 0.84172314048112 0.23437253730761 32.065 > 57 60 S 0.57101804827313 0.84172314048112 0.23437253730761 32.065 > 57 61 S 0.07101804827313 0.40827685951888 0.73437253730761 32.065 > 61 62 S 0.57101804827313 0.40827685951888 0.73437253730761 32.065 > 61 63 S 0.07101804827313 0.90827685951888 0.73437253730761 32.065 > 61 64 S 0.57101804827313 0.90827685951888 0.73437253730761 32.065 > 61 65 S 0.35018120002606 0.29283842589819 0.02523328941771 32.065 > 65 66 S 0.85018120002606 0.29283842589819 0.02523328941771 32.065 > 65 67 S 0.35018120002606 0.79283842589819 0.02523328941771 32.065 > 65 68 S 0.85018120002606 0.79283842589819 0.02523328941771 32.065 > 65 69 S 0.35018120002606 0.45716157410181 0.52523328941771 32.065 > 69 70 S 0.85018120002606 0.45716157410181 0.52523328941771 32.065 > 69 71 S 0.35018120002606 0.95716157410181 0.52523328941771 32.065 > 69 72 S 0.85018120002606 0.95716157410181 0.52523328941771 32.065 > 69 73 S 0.14981879997394 0.20716157410181 0.97476671058229 32.065 > 73 74 S 0.64981879997394 0.20716157410181 0.97476671058229 32.065 > 73 75 S 0.14981879997394 0.70716157410181 0.97476671058229 32.065 > 73 76 S 0.64981879997394 0.70716157410181 0.97476671058229 32.065 > 73 77 S 0.14981879997394 0.04283842589819 0.47476671058229 32.065 > 77 78 S 0.64981879997394 0.04283842589819 0.47476671058229 32.065 > 77 79 S 0.14981879997394 0.54283842589819 0.47476671058229 32.065 > 77 80 S 0.64981879997394 0.54283842589819 0.47476671058229 32.065 > 77 81 Br 0.27804770041130 0.19606721955243 0.37922225428987 79.904 > 81 82 Br 0.77804770041130 0.19606721955243 0.37922225428987 79.904 > 81 83 Br 0.27804770041130 0.69606721955243 0.37922225428987 79.904 > 81 84 Br 0.77804770041130 0.69606721955243 0.37922225428987 79.904 > 81 85 Br 0.27804770041130 0.05393278044757 0.87922225428987 79.904 > 85 86 Br 0.77804770041130 0.05393278044757 0.87922225428987 79.904 > 85 87 Br 0.27804770041130 0.55393278044757 0.87922225428987 79.904 > 85 88 Br 0.77804770041130 0.55393278044757 0.87922225428987 79.904 > 85 89 Br 0.22195229958870 0.30393278044757 0.62077774571013 79.904 > 89 90 Br 0.72195229958870 0.30393278044757 0.62077774571013 79.904 > 89 91 Br 0.22195229958870 0.80393278044757 0.62077774571013 79.904 > 89 92 Br 0.72195229958870 0.80393278044757 0.62077774571013 79.904 > 89 93 Br 0.22195229958870 0.44606721955243 0.12077774571013 79.904 > 93 94 Br 0.72195229958870 0.44606721955243 0.12077774571013 79.904 > 93 95 Br 0.22195229958870 0.94606721955243 0.12077774571013 79.904 > 93 96 Br 0.72195229958870 0.94606721955243 0.12077774571013 79.904 > 93 97 Br 0.45093439727718 0.33878061206491 0.38025586007526 79.904 > 97 98 Br 0.95093439727718 0.33878061206491 0.38025586007526 79.904 > 97 99 Br 0.45093439727718 0.83878061206491 0.38025586007526 79.904 > 97 100 Br 0.95093439727718 0.83878061206491 0.38025586007526 79.904 > 97 101 Br 0.45093439727718 0.41121938793509 0.88025586007526 79.904 > 101 102 Br 0.95093439727718 0.41121938793509 0.88025586007526 79.904 > 101 103 Br 0.45093439727718 0.91121938793509 0.88025586007526 79.904 > 101 104 Br 0.95093439727718 0.91121938793509 0.88025586007526 79.904 > 101 105 Br 0.04906560272282 0.16121938793509 0.61974413992474 79.904 > 105 106 Br 0.54906560272282 0.16121938793509 0.61974413992474 79.904 > 105 107 Br 0.04906560272282 0.66121938793509 0.61974413992474 79.904 > 105 108 Br 0.54906560272282 0.66121938793509 0.61974413992474 79.904 > 105 109 Br 0.04906560272282 0.08878061206491 0.11974413992475 79.904 > 109 110 Br 0.54906560272282 0.08878061206491 0.11974413992475 79.904 > 109 111 Br 0.04906560272282 0.58878061206491 0.11974413992475 79.904 > 109 112 Br 0.54906560272282 0.58878061206491 0.11974413992475 79.904 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 7.2336455 0.0000000 -0.0046027 0.0000000 7.3477195 0.0000000 -0.0045979 0.0000000 6.6533675-------------------------- Born effective charges -------------------------- 1 Sn 3.6622984 0.4419908 0.1879072 0.2664321 4.5931023 0.0215274 0.3393240 0.0098965 3.1741753 2 Sn 3.6622984 -0.4419908 0.1879072 -0.2664321 4.5931023 -0.0215274 0.3393240 -0.0098965 3.1741753 3 Sn 3.6622984 0.4419908 0.1879072 0.2664321 4.5931023 0.0215274 0.3393240 0.0098965 3.1741753 4 Sn 3.6622984 -0.4419908 0.1879072 -0.2664321 4.5931023 -0.0215274 0.3393240 -0.0098965 3.1741753 5 Hg 1.7059098 -0.4342589 -0.5764611 -0.4966862 1.9011415 0.4206472 -0.4920512 0.2773312 1.5753951 6 Hg 1.7059098 0.4342589 -0.5764611 0.4966862 1.9011415 -0.4206472 -0.4920512 -0.2773312 1.5753951 7 Hg 1.7059098 -0.4342589 -0.5764611 -0.4966862 1.9011415 0.4206472 -0.4920512 0.2773312 1.5753951 8 Hg 1.7059098 0.4342589 -0.5764611 0.4966862 1.9011415 -0.4206472 -0.4920512 -0.2773312 1.5753951 9 Hg 2.1960289 0.1154986 0.2340321 0.0492274 1.7340038 0.5548962 -0.0061039 0.6264038 1.8993177 10 Hg 2.1960289 -0.1154986 0.2340321 -0.0492274 1.7340038 -0.5548962 -0.0061039 -0.6264038 1.8993177 11 Hg 2.1960289 0.1154986 0.2340321 0.0492274 1.7340038 0.5548962 -0.0061039 0.6264038 1.8993177 12 Hg 2.1960289 -0.1154986 0.2340321 -0.0492274 1.7340038 -0.5548962 -0.0061039 -0.6264038 1.8993177 13 S -1.7457982 0.1905466 0.1304123 0.3076018 -1.8132890 0.1764665 -0.2279568 0.3819889 -1.6833167 14 S -1.7457982 -0.1905466 0.1304123 -0.3076018 -1.8132890 -0.1764665 -0.2279568 -0.3819889 -1.6833167 15 S -1.7457982 0.1905466 0.1304123 0.3076018 -1.8132890 0.1764665 -0.2279568 0.3819889 -1.6833167 16 S -1.7457982 -0.1905466 0.1304123 -0.3076018 -1.8132890 -0.1764665 -0.2279568 -0.3819889 -1.6833167 17 S -2.0240507 -0.4294916 -0.0880922 -0.4172760 -2.3903182 -0.1525531 0.1349164 -0.0652360 -1.0869681 18 S -2.0240507 0.4294916 -0.0880922 0.4172760 -2.3903182 0.1525531 0.1349164 0.0652360 -1.0869681 19 S -2.0240507 -0.4294916 -0.0880922 -0.4172760 -2.3903182 -0.1525531 0.1349164 -0.0652360 -1.0869681 20 S -2.0240507 0.4294916 -0.0880922 0.4172760 -2.3903182 0.1525531 0.1349164 0.0652360 -1.0869681 21 Br -1.6800237 -0.1342145 -0.5920408 -0.1344890 -1.9878830 -0.4555750 -0.3094359 -0.2506323 -2.3412585 22 Br -1.6800237 0.1342145 -0.5920408 0.1344890 -1.9878830 0.4555750 -0.3094359 0.2506323 -2.3412585 23 Br -1.6800237 -0.1342145 -0.5920408 -0.1344890 -1.9878830 -0.4555750 -0.3094359 -0.2506323 -2.3412585 24 Br -1.6800237 0.1342145 -0.5920408 0.1344890 -1.9878830 0.4555750 -0.3094359 0.2506323 -2.3412585 25 Br -2.1143645 0.5302907 0.7042424 0.7216119 -2.0367574 0.3443374 0.5613075 0.3651738 -1.5373447 26 Br -2.1143645 -0.5302907 0.7042424 -0.7216119 -2.0367574 -0.3443374 0.5613075 -0.3651738 -1.5373447 27 Br -2.1143645 0.5302907 0.7042424 0.7216119 -2.0367574 0.3443374 0.5613075 0.3651738 -1.5373447 28 Br -2.1143645 -0.5302907 0.7042424 -0.7216119 -2.0367574 -0.3443374 0.5613075 -0.3651738 -1.5373447----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 6 6 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: 0.45, Number of G-points: 301, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/64) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.725 ( 0.000 0.000 0.000) 0.000 0.736 ( 0.000 0.000 0.000) 0.000 0.762 ( 0.000 0.000 0.000) 0.000 0.775 ( 0.000 0.000 0.000) 0.000 0.782 ( 0.000 0.000 0.000) 0.000 0.885 ( 0.000 0.000 0.000) 0.000 0.887 ( 0.000 0.000 0.000) 0.000 1.000 ( 0.000 0.000 0.000) 0.000 1.091 ( 0.000 0.000 0.000) 0.000 1.111 ( 0.000 0.000 0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.155 ( 0.000 0.000 0.000) 0.000 1.178 ( 0.000 0.000 0.000) 0.000 1.178 ( 0.000 0.000 0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.286 ( 0.000 0.000 0.000) 0.000 1.331 ( 0.000 0.000 0.000) 0.000 1.338 ( 0.000 0.000 0.000) 0.000 1.373 ( 0.000 0.000 0.000) 0.000 1.433 ( 0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 0.000) 0.000 1.555 ( 0.000 0.000 0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.606 ( 0.000 0.000 0.000) 0.000 1.633 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 1.848 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.063 ( 0.000 0.000 0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.429 ( 0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 2.555 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 4.219 ( 0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 5.507 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 8.206 ( 0.000 0.000 0.000) 0.000 8.480 ( 0.000 0.000 0.000) 0.000 8.525 ( 0.000 0.000 0.000) 0.000 8.630 ( 0.000 0.000 0.000) 0.000 9.050 ( 0.000 0.000 0.000) 0.000 9.083 ( 0.000 0.000 0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 9.426 ( 0.000 0.000 0.000) 0.000 9.603 ( 0.000 0.000 0.000) 0.000 9.754 ( 0.000 0.000 0.000) 0.000 9.876 ( 0.000 0.000 0.000) 0.000 10.204 ( 0.000 0.000 0.000) 0.000 10.252 ( 0.000 0.000 0.000) 0.000 10.292 ( 0.000 0.000 0.000) 0.000 10.353 ( 0.000 0.000 0.000) 0.000 10.506 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/64) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.173 ( 12.533 0.000 -1.607) 12.635 0.252 ( 9.666 0.000 3.884) 10.417 0.442 ( 12.799 0.000 13.451) 18.567 0.745 ( 0.497 0.000 -0.475) 0.687 0.756 ( -2.057 0.000 2.218) 3.025 0.785 ( 1.165 0.000 -0.790) 1.408 0.790 ( 3.054 0.000 2.705) 4.080 0.828 ( 1.977 0.000 2.824) 3.447 0.894 ( 0.284 0.000 -1.065) 1.102 0.923 ( 2.657 0.000 0.748) 2.760 0.973 ( -3.770 0.000 -7.278) 8.196 0.996 ( -1.977 0.000 -1.050) 2.238 1.074 ( -3.156 0.000 -0.598) 3.212 1.112 ( 0.213 0.000 -1.465) 1.481 1.150 ( -5.644 0.000 -0.570) 5.672 1.169 ( -3.060 0.000 2.572) 3.997 1.192 ( -0.506 0.000 -4.594) 4.622 1.214 ( 1.507 0.000 1.619) 2.212 1.285 ( 2.534 0.000 1.199) 2.803 1.311 ( 0.787 0.000 -2.155) 2.294 1.358 ( -0.247 0.000 -2.971) 2.981 1.407 ( 1.416 0.000 0.068) 1.417 1.424 ( 0.189 0.000 -1.770) 1.780 1.462 ( -2.040 0.000 0.193) 2.050 1.536 ( -2.937 0.000 -1.164) 3.159 1.574 ( -0.646 0.000 0.133) 0.660 1.594 ( 0.632 0.000 -0.754) 0.984 1.675 ( 3.771 0.000 -1.859) 4.204 1.692 ( 1.312 0.000 0.626) 1.454 1.743 ( 0.992 0.000 -2.110) 2.331 1.782 ( 1.709 0.000 -1.466) 2.251 1.808 ( -2.703 0.000 2.465) 3.658 1.856 ( -0.896 0.000 0.149) 0.908 1.889 ( 2.112 0.000 2.232) 3.072 1.926 ( 1.231 0.000 -0.935) 1.546 1.940 ( -0.874 0.000 -0.397) 0.960 1.985 ( -0.962 0.000 -0.609) 1.138 1.999 ( -2.198 0.000 -0.310) 2.220 2.048 ( -1.421 0.000 -0.186) 1.433 2.121 ( 0.816 0.000 -0.148) 0.829 2.184 ( -0.137 0.000 -4.182) 4.184 2.235 ( 3.584 0.000 1.835) 4.027 2.237 ( -1.680 0.000 0.116) 1.684 2.399 ( 2.935 0.000 -3.656) 4.688 2.451 ( -2.869 0.000 5.955) 6.610 2.560 ( -0.042 0.000 0.884) 0.885 2.563 ( 1.287 0.000 0.389) 1.345 2.645 ( 0.598 0.000 0.964) 1.135 2.877 ( 0.918 0.000 -0.422) 1.010 2.921 ( 4.122 0.000 4.006) 5.748 3.080 ( -2.570 0.000 -3.299) 4.182 3.274 ( 0.872 0.000 1.242) 1.518 3.335 ( -1.913 0.000 -1.684) 2.548 3.376 ( -6.130 0.000 12.639) 14.047 3.483 ( 6.928 0.000 -0.302) 6.935 3.774 ( -2.105 0.000 1.399) 2.528 3.815 ( 0.595 0.000 -1.527) 1.639 4.061 ( 6.284 0.000 -11.554) 13.153 4.064 ( -0.213 0.000 -0.221) 0.307 4.207 ( -2.713 0.000 2.112) 3.438 4.693 ( 0.764 0.000 0.630) 0.990 4.859 ( 1.074 0.000 -0.647) 1.253 4.893 ( 4.186 0.000 -3.340) 5.355 5.153 ( 3.053 0.000 -1.645) 3.468 5.326 ( -2.434 0.000 2.672) 3.614 5.477 ( -3.356 0.000 0.106) 3.358 6.016 ( -1.304 0.000 -0.558) 1.418 6.117 ( -0.398 0.000 0.305) 0.501 8.220 ( 0.984 0.000 0.807) 1.273 8.477 ( -0.596 0.000 -1.822) 1.917 8.534 ( -0.574 0.000 1.827) 1.915 8.625 ( -0.513 0.000 -0.036) 0.514 9.075 ( -0.632 0.000 0.095) 0.639 9.092 ( -2.249 0.000 1.083) 2.496 9.308 ( 0.764 0.000 0.251) 0.804 9.415 ( -1.374 0.000 0.251) 1.397 9.648 ( 3.858 0.000 0.959) 3.976 9.717 ( -2.343 0.000 -2.463) 3.399 9.981 ( -1.418 0.000 5.818) 5.988 10.182 ( -1.221 0.000 -1.698) 2.092 10.275 ( -2.228 0.000 0.269) 2.244 10.371 ( 0.238 0.000 2.439) 2.451 10.411 ( 5.994 0.000 -9.552) 11.277 10.497 ( 0.232 0.000 -1.086) 1.110======================= Grid point 2 (3/64) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.399 ( 11.210 0.000 2.364) 11.457 0.406 ( 2.530 0.000 1.716) 3.057 0.690 ( -9.784 0.000 -5.527) 11.238 0.713 ( 4.035 0.000 1.632) 4.352 0.754 ( 0.492 0.000 -0.635) 0.804 0.761 ( 2.084 0.000 1.309) 2.461 0.804 ( -1.085 0.000 -2.948) 3.141 0.827 ( 0.866 0.000 0.867) 1.225 0.847 ( -3.160 0.000 -2.333) 3.928 0.922 ( -2.202 0.000 1.694) 2.778 0.949 ( -2.970 0.000 -1.522) 3.337 0.992 ( 6.423 0.000 1.707) 6.646 1.045 ( 0.016 0.000 -0.837) 0.838 1.074 ( -0.623 0.000 1.005) 1.182 1.089 ( -0.948 0.000 -1.224) 1.548 1.111 ( -3.127 0.000 -0.330) 3.144 1.149 ( -1.819 0.000 3.313) 3.780 1.265 ( 2.116 0.000 1.142) 2.404 1.290 ( -1.348 0.000 -3.633) 3.875 1.313 ( 0.664 0.000 -0.489) 0.825 1.334 ( -1.006 0.000 -0.807) 1.290 1.391 ( -0.179 0.000 -2.376) 2.382 1.433 ( 0.364 0.000 0.310) 0.478 1.449 ( -2.423 0.000 -2.221) 3.287 1.471 ( 3.449 0.000 2.341) 4.168 1.588 ( 0.501 0.000 -1.817) 1.885 1.613 ( 2.384 0.000 1.967) 3.091 1.655 ( -1.857 0.000 -0.984) 2.102 1.726 ( 2.178 0.000 -2.010) 2.964 1.784 ( -0.290 0.000 0.058) 0.296 1.792 ( -1.193 0.000 -1.974) 2.306 1.794 ( 0.781 0.000 0.003) 0.781 1.846 ( 1.710 0.000 2.803) 3.283 1.869 ( -2.751 0.000 -1.545) 3.155 1.955 ( 1.956 0.000 0.979) 2.187 1.964 ( -1.633 0.000 0.606) 1.742 1.975 ( 1.037 0.000 1.758) 2.041 1.993 ( 0.587 0.000 0.625) 0.858 2.028 ( -0.201 0.000 1.423) 1.437 2.120 ( -0.905 0.000 -3.919) 4.023 2.125 ( -0.056 0.000 -0.141) 0.152 2.219 ( -0.320 0.000 -0.078) 0.329 2.289 ( 0.986 0.000 0.245) 1.016 2.420 ( 2.686 0.000 -2.121) 3.422 2.475 ( -1.301 0.000 3.556) 3.787 2.575 ( -1.307 0.000 3.596) 3.826 2.586 ( 0.819 0.000 0.388) 0.906 2.664 ( 0.384 0.000 -0.132) 0.406 2.888 ( 1.565 0.000 -1.438) 2.125 2.974 ( -3.135 0.000 -4.259) 5.288 3.044 ( 3.476 0.000 3.304) 4.796 3.284 ( -1.507 0.000 -1.110) 1.872 3.314 ( 1.364 0.000 1.608) 2.108 3.417 ( -1.023 0.000 4.543) 4.656 3.605 ( 5.974 0.000 -0.725) 6.018 3.758 ( -1.088 0.000 0.988) 1.470 3.801 ( -0.096 0.000 -1.408) 1.411 4.035 ( 1.755 0.000 -4.668) 4.987 4.066 ( 0.981 0.000 -0.318) 1.031 4.178 ( -3.452 0.000 2.871) 4.490 4.712 ( 0.391 0.000 0.491) 0.628 4.872 ( 1.101 0.000 -0.578) 1.244 4.947 ( 4.944 0.000 -1.978) 5.325 5.185 ( 3.243 0.000 -3.414) 4.709 5.321 ( -2.335 0.000 4.270) 4.867 5.402 ( -4.268 0.000 -0.156) 4.271 5.978 ( -1.665 0.000 -0.758) 1.829 6.113 ( -0.481 0.000 0.292) 0.563 8.253 ( 1.210 0.000 0.978) 1.556 8.447 ( -0.477 0.000 -1.242) 1.331 8.544 ( -0.229 0.000 1.026) 1.051 8.614 ( -0.575 0.000 -0.047) 0.576 9.064 ( -1.861 0.000 0.763) 2.011 9.072 ( -0.123 0.000 0.622) 0.634 9.331 ( 1.134 0.000 0.501) 1.240 9.393 ( -1.098 0.000 0.224) 1.121 9.629 ( -2.907 0.000 -3.138) 4.278 9.733 ( 3.540 0.000 0.796) 3.628 10.023 ( 0.551 0.000 2.047) 2.120 10.125 ( -2.126 0.000 -2.283) 3.119 10.227 ( -2.446 0.000 -0.047) 2.447 10.396 ( -0.620 0.000 1.057) 1.225 10.418 ( 2.958 0.000 -1.996) 3.568 10.501 ( 1.001 0.000 -0.414) 1.084======================= Grid point 3 (4/64) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.404 ( 0.000 0.000 0.000) 0.000 0.531 ( 0.000 0.000 0.000) 0.000 0.571 ( 0.000 0.000 0.000) 0.000 0.677 ( -0.000 0.000 -0.000) 0.000 0.767 ( -0.000 0.000 -0.000) 0.000 0.776 ( 0.000 0.000 0.000) 0.000 0.797 ( 0.000 0.000 0.000) 0.000 0.816 ( 0.000 0.000 0.000) 0.000 0.853 ( 0.000 0.000 0.000) 0.000 0.879 ( 0.000 0.000 0.000) 0.000 0.903 ( 0.000 0.000 0.000) 0.000 1.028 ( 0.000 0.000 0.000) 0.000 1.057 ( -0.000 0.000 0.000) 0.000 1.058 ( 0.000 0.000 0.000) 0.000 1.095 ( 0.000 0.000 0.000) 0.000 1.101 ( 0.000 0.000 0.000) 0.000 1.188 ( 0.000 0.000 0.000) 0.000 1.238 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 0.000 0.000) 0.000 1.318 ( -0.000 0.000 0.000) 0.000 1.319 ( 0.000 0.000 0.000) 0.000 1.368 ( 0.000 0.000 0.000) 0.000 1.397 ( 0.000 0.000 0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.607 ( -0.000 0.000 -0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 1.756 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 1.823 ( 0.000 0.000 0.000) 0.000 1.832 ( -0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 1.946 ( 0.000 0.000 0.000) 0.000 1.980 ( 0.000 0.000 0.000) 0.000 1.987 ( 0.000 0.000 0.000) 0.000 2.008 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 -0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.122 ( 0.000 0.000 0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.299 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 2.482 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.661 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.161 ( -0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 4.990 ( 0.000 0.000 0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 5.332 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 6.110 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 0.000) 0.000 8.435 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 8.607 ( 0.000 0.000 0.000) 0.000 9.050 ( 0.000 0.000 0.000) 0.000 9.077 ( 0.000 0.000 0.000) 0.000 9.347 ( 0.000 0.000 0.000) 0.000 9.384 ( 0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 9.773 ( 0.000 0.000 0.000) 0.000 10.041 ( 0.000 0.000 0.000) 0.000 10.084 ( 0.000 0.000 0.000) 0.000 10.204 ( 0.000 0.000 0.000) 0.000 10.394 ( 0.000 0.000 0.000) 0.000 10.437 ( 0.000 0.000 0.000) 0.000 10.510 ( 0.000 0.000 0.000) 0.000======================= Grid point 7 (5/64) =======================q-point: ( 0.00 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.213 ( 0.000 9.767 0.000) 9.767 0.282 ( 0.000 12.079 0.000) 12.079 0.496 ( 0.000 21.296 0.000) 21.296 0.654 ( 0.000 -4.381 0.000) 4.381 0.723 ( 0.000 -0.371 0.000) 0.371 0.752 ( 0.000 -1.592 0.000) 1.592 0.794 ( 0.000 0.204 0.000) 0.204 0.812 ( 0.000 2.115 0.000) 2.115 0.889 ( 0.000 0.541 0.000) 0.541 0.909 ( 0.000 1.142 0.000) 1.142 1.014 ( 0.000 0.802 0.000) 0.802 1.045 ( 0.000 -6.095 0.000) 6.095 1.094 ( 0.000 0.589 0.000) 0.589 1.108 ( 0.000 -0.292 0.000) 0.292 1.157 ( 0.000 -0.272 0.000) 0.272 1.208 ( 0.000 2.008 0.000) 2.008 1.223 ( 0.000 0.821 0.000) 0.821 1.237 ( 0.000 -0.536 0.000) 0.536 1.275 ( 0.000 -0.902 0.000) 0.902 1.319 ( 0.000 -1.156 0.000) 1.156 1.328 ( 0.000 -0.743 0.000) 0.743 1.377 ( 0.000 0.169 0.000) 0.169 1.398 ( 0.000 -1.939 0.000) 1.939 1.500 ( 0.000 -0.294 0.000) 0.294 1.501 ( 0.000 -4.600 0.000) 4.600 1.563 ( 0.000 0.512 0.000) 0.512 1.621 ( 0.000 2.764 0.000) 2.764 1.652 ( 0.000 -3.238 0.000) 3.238 1.670 ( 0.000 1.271 0.000) 1.271 1.778 ( 0.000 0.492 0.000) 0.492 1.793 ( 0.000 0.095 0.000) 0.095 1.838 ( 0.000 -0.597 0.000) 0.597 1.858 ( 0.000 1.525 0.000) 1.525 1.864 ( 0.000 0.897 0.000) 0.897 1.917 ( 0.000 -3.084 0.000) 3.084 1.970 ( 0.000 -4.205 0.000) 4.205 1.972 ( 0.000 1.220 0.000) 1.220 2.027 ( 0.000 -0.285 0.000) 0.285 2.060 ( 0.000 -1.687 0.000) 1.687 2.118 ( 0.000 0.432 0.000) 0.432 2.191 ( 0.000 2.018 0.000) 2.018 2.247 ( 0.000 -2.549 0.000) 2.549 2.296 ( 0.000 2.482 0.000) 2.482 2.411 ( 0.000 0.063 0.000) 0.063 2.434 ( 0.000 0.292 0.000) 0.292 2.515 ( 0.000 -2.725 0.000) 2.725 2.548 ( 0.000 0.446 0.000) 0.446 2.641 ( 0.000 0.029 0.000) 0.029 2.885 ( 0.000 2.904 0.000) 2.904 2.965 ( 0.000 -0.248 0.000) 0.248 3.082 ( 0.000 -1.271 0.000) 1.271 3.123 ( 0.000 0.030 0.000) 0.030 3.271 ( 0.000 0.846 0.000) 0.846 3.347 ( 0.000 -1.710 0.000) 1.710 3.610 ( 0.000 6.957 0.000) 6.957 3.794 ( 0.000 0.636 0.000) 0.636 3.827 ( 0.000 0.969 0.000) 0.969 4.027 ( 0.000 -0.530 0.000) 0.530 4.053 ( 0.000 -1.423 0.000) 1.423 4.164 ( 0.000 -4.582 0.000) 4.582 4.722 ( 0.000 3.257 0.000) 3.257 4.738 ( 0.000 0.739 0.000) 0.739 5.002 ( 0.000 0.762 0.000) 0.762 5.269 ( 0.000 -4.650 0.000) 4.650 5.561 ( 0.000 3.799 0.000) 3.799 5.793 ( 0.000 -0.677 0.000) 0.677 6.015 ( 0.000 -1.447 0.000) 1.447 6.092 ( 0.000 -2.471 0.000) 2.471 8.229 ( 0.000 2.145 0.000) 2.145 8.489 ( 0.000 0.887 0.000) 0.887 8.505 ( 0.000 -1.900 0.000) 1.900 8.621 ( 0.000 -0.974 0.000) 0.974 9.053 ( 0.000 0.310 0.000) 0.310 9.101 ( 0.000 1.756 0.000) 1.756 9.245 ( 0.000 -4.111 0.000) 4.111 9.390 ( 0.000 -3.165 0.000) 3.165 9.667 ( 0.000 5.047 0.000) 5.047 9.783 ( 0.000 2.510 0.000) 2.510 9.871 ( 0.000 -0.502 0.000) 0.502 10.166 ( 0.000 -3.197 0.000) 3.197 10.265 ( 0.000 0.817 0.000) 0.817 10.346 ( 0.000 -0.653 0.000) 0.653 10.449 ( 0.000 -0.189 0.000) 0.189 10.499 ( 0.000 -0.675 0.000) 0.675======================= Grid point 8 (6/64) =======================q-point: ( 0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.250 ( 2.945 9.715 0.464) 10.162 0.330 ( 5.948 7.306 4.165) 10.301 0.632 ( 6.055 9.607 4.821) 12.337 0.656 ( 2.018 -4.280 -1.416) 4.939 0.750 ( -2.181 -0.345 1.367) 2.597 0.763 ( 1.118 -1.500 -0.592) 1.962 0.809 ( -0.097 2.190 2.092) 3.030 0.829 ( 3.069 0.030 4.014) 5.052 0.908 ( -0.589 -0.178 -1.910) 2.007 0.932 ( 3.278 0.389 0.185) 3.307 0.969 ( -4.090 -1.199 -3.818) 5.722 1.003 ( -0.386 0.810 -0.035) 0.898 1.084 ( -2.257 1.547 1.041) 2.927 1.114 ( -2.033 -0.355 -1.906) 2.809 1.138 ( -3.279 -1.219 -1.785) 3.927 1.179 ( -2.713 0.616 1.181) 3.022 1.189 ( 0.370 -0.865 0.976) 1.355 1.211 ( -0.966 0.919 1.020) 1.678 1.271 ( -2.363 -0.608 -0.704) 2.540 1.288 ( 2.409 -0.685 -0.681) 2.596 1.352 ( 0.628 -0.294 -2.390) 2.489 1.387 ( -0.112 -1.303 -0.742) 1.503 1.402 ( 1.057 -0.577 2.151) 2.465 1.505 ( 1.792 -0.061 -0.050) 1.794 1.536 ( -0.178 0.475 -1.373) 1.464 1.585 ( -2.249 -1.269 -1.737) 3.113 1.605 ( 0.658 1.858 0.272) 1.990 1.623 ( 2.699 -1.084 0.391) 2.935 1.682 ( 0.261 -1.484 -1.265) 1.968 1.778 ( -0.068 1.170 -1.643) 2.018 1.782 ( 1.337 0.841 0.320) 1.612 1.818 ( -0.879 0.316 0.753) 1.200 1.859 ( -0.203 -0.853 -2.000) 2.184 1.877 ( 0.129 -1.862 0.363) 1.902 1.931 ( 1.195 -0.641 -0.244) 1.378 1.935 ( 0.260 -0.363 0.571) 0.725 1.976 ( 0.306 0.945 -0.948) 1.373 2.020 ( -1.862 -2.344 0.899) 3.126 2.084 ( -1.720 2.316 -1.563) 3.281 2.123 ( 3.065 -2.165 -0.440) 3.779 2.176 ( -2.603 1.500 -0.101) 3.006 2.227 ( -1.439 2.729 -1.181) 3.303 2.274 ( 2.737 0.853 -0.371) 2.891 2.400 ( -1.055 -0.920 0.568) 1.511 2.417 ( -0.787 -0.838 0.207) 1.168 2.524 ( 1.081 -1.721 -0.865) 2.209 2.576 ( 0.910 0.084 1.903) 2.111 2.644 ( -0.173 -0.095 1.260) 1.276 2.895 ( -1.231 1.980 -1.133) 2.592 2.977 ( 4.373 2.922 0.930) 5.342 3.059 ( -0.506 -1.196 -1.985) 2.372 3.261 ( 5.814 -6.353 5.051) 9.984 3.283 ( 0.672 -0.234 0.023) 0.712 3.331 ( -0.464 -0.482 -0.511) 0.841 3.546 ( -4.386 5.964 2.074) 7.689 3.780 ( -0.476 0.396 -1.079) 1.244 3.823 ( 0.036 0.855 -0.773) 1.154 3.997 ( -3.002 -2.492 -0.078) 3.903 4.066 ( 1.937 -1.120 -1.688) 2.803 4.151 ( -2.900 -4.550 2.082) 5.783 4.718 ( -0.361 1.764 0.489) 1.866 4.773 ( 3.476 0.546 -0.532) 3.559 5.008 ( 1.389 1.370 -1.549) 2.491 5.259 ( -1.519 -4.377 0.781) 4.698 5.480 ( -11.253 11.918 -3.616) 16.785 5.537 ( -2.372 6.620 -4.761) 8.493 5.996 ( -0.995 -1.330 -0.801) 1.844 6.107 ( 0.743 -1.118 0.329) 1.381 8.241 ( 0.786 1.926 0.691) 2.192 8.480 ( 0.094 0.368 -2.112) 2.146 8.511 ( -0.882 -1.922 2.165) 3.026 8.615 ( -0.555 -0.985 -0.004) 1.131 9.075 ( -0.101 -0.520 1.017) 1.146 9.095 ( -0.498 1.888 0.076) 1.954 9.265 ( 1.754 -3.485 0.461) 3.928 9.379 ( -0.703 -3.038 -0.420) 3.146 9.699 ( 2.565 4.439 1.192) 5.263 9.746 ( -2.373 2.471 -2.143) 4.041 9.944 ( 1.436 -2.194 4.221) 4.969 10.158 ( -0.302 -2.479 -1.340) 2.834 10.273 ( -0.786 0.163 0.839) 1.162 10.369 ( 3.788 -1.751 -3.314) 5.329 10.394 ( -2.817 0.631 0.380) 2.912 10.494 ( 0.344 -0.602 -1.465) 1.620======================= Grid point 9 (7/64) =======================q-point: ( 0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.388 ( 7.728 1.646 1.100) 7.978 0.481 ( 5.848 5.316 2.246) 8.215 0.612 ( -5.052 -5.148 -4.201) 8.347 0.695 ( -1.520 -0.376 -1.979) 2.524 0.736 ( -0.131 -1.643 1.167) 2.020 0.762 ( -0.694 -0.792 -1.390) 1.744 0.808 ( -2.296 -0.284 -2.757) 3.599 0.823 ( -1.525 -1.061 -1.804) 2.589 0.880 ( 1.497 2.465 1.319) 3.172 0.947 ( -2.185 1.552 0.636) 2.755 0.972 ( -1.775 1.140 1.051) 2.357 0.996 ( 2.790 0.559 1.241) 3.104 1.057 ( -0.551 2.266 1.126) 2.590 1.074 ( -1.116 0.618 2.567) 2.866 1.105 ( 0.880 0.923 -0.709) 1.460 1.127 ( -2.174 0.565 0.799) 2.384 1.165 ( -2.111 1.602 1.087) 2.864 1.252 ( 0.706 -1.013 0.879) 1.515 1.261 ( 1.057 -1.897 0.139) 2.176 1.303 ( -0.182 0.560 -2.365) 2.438 1.331 ( -0.366 -1.647 -1.062) 1.994 1.370 ( -0.419 -0.644 -1.109) 1.349 1.440 ( -0.455 -1.633 -1.615) 2.341 1.469 ( -1.180 2.202 0.997) 2.690 1.518 ( -0.269 2.777 -0.501) 2.834 1.552 ( 1.391 -2.028 -1.691) 2.984 1.621 ( 0.754 0.956 1.212) 1.718 1.667 ( 0.215 1.168 -0.695) 1.376 1.686 ( 2.596 -1.818 -0.658) 3.237 1.774 ( 0.748 -0.569 -1.297) 1.602 1.809 ( 0.333 1.252 -0.969) 1.617 1.820 ( -0.043 -0.005 -1.887) 1.888 1.846 ( 1.820 0.183 2.259) 2.906 1.882 ( -2.633 -1.612 -0.448) 3.119 1.917 ( 0.361 -0.538 1.022) 1.210 1.966 ( 1.296 0.279 0.180) 1.338 1.987 ( -0.564 0.664 -0.041) 0.872 2.006 ( 0.801 -1.664 0.200) 1.857 2.053 ( 0.772 3.501 0.728) 3.658 2.098 ( -1.194 -0.270 -1.777) 2.158 2.148 ( -1.438 1.010 -0.440) 1.812 2.233 ( 1.066 1.853 0.626) 2.228 2.307 ( 0.310 1.065 0.439) 1.193 2.400 ( 1.631 -1.725 -1.382) 2.747 2.439 ( 0.393 -3.044 2.772) 4.136 2.529 ( 0.719 -2.058 -0.449) 2.226 2.598 ( -0.894 -0.587 1.059) 1.505 2.661 ( -0.118 -0.088 1.426) 1.433 2.859 ( 0.441 -1.730 -2.044) 2.714 2.977 ( -4.400 0.390 -3.543) 5.663 3.078 ( 3.559 1.974 1.426) 4.312 3.264 ( -0.590 -1.596 -1.079) 2.015 3.353 ( 2.355 2.016 1.256) 3.345 3.388 ( 1.330 -2.469 2.708) 3.898 3.580 ( 4.743 -1.068 1.957) 5.241 3.761 ( -0.604 0.031 -0.279) 0.666 3.814 ( 0.804 0.606 -1.585) 1.878 3.926 ( -4.779 -5.428 0.264) 7.237 4.078 ( 0.773 -1.644 -0.711) 1.951 4.111 ( -3.553 -4.558 1.814) 6.057 4.720 ( 0.163 1.327 0.077) 1.339 4.842 ( 3.821 -0.937 0.807) 4.016 5.000 ( 0.351 2.248 -3.085) 3.833 5.248 ( -0.004 -2.107 0.529) 2.172 5.343 ( -2.741 7.223 0.180) 7.728 5.447 ( -4.156 2.966 -1.624) 5.357 5.977 ( -0.025 0.399 -0.784) 0.880 6.114 ( -0.309 -0.071 0.248) 0.402 8.268 ( 0.914 1.346 0.823) 1.823 8.457 ( 0.010 0.896 -1.480) 1.730 8.517 ( -0.834 -2.408 1.378) 2.898 8.605 ( -0.469 -0.866 0.061) 0.987 9.075 ( -0.688 1.154 0.646) 1.491 9.093 ( -0.080 1.926 0.442) 1.978 9.308 ( 1.865 -2.190 0.569) 2.932 9.359 ( -0.776 -2.840 -0.317) 2.961 9.664 ( -2.787 2.980 -2.608) 4.842 9.767 ( 2.749 3.210 0.932) 4.327 9.985 ( -0.255 -3.071 0.946) 3.224 10.127 ( -1.011 -0.404 -1.130) 1.569 10.238 ( -2.443 0.892 -0.136) 2.604 10.369 ( 0.594 -2.355 -0.575) 2.496 10.417 ( 1.687 0.100 0.556) 1.779 10.490 ( 0.653 -1.020 -0.629) 1.364======================= Grid point 10 (8/64) =======================q-point: (-0.50 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.465 ( -0.000 -3.528 -0.000) 3.528 0.465 ( 0.000 4.636 0.000) 4.636 0.611 ( -0.000 2.250 0.000) 2.250 0.641 ( -0.000 -3.533 0.000) 3.533 0.722 ( -0.000 0.059 0.000) 0.059 0.747 ( -0.000 -2.161 0.000) 2.161 0.759 ( 0.000 0.733 -0.000) 0.733 0.838 ( -0.000 -4.005 0.000) 4.005 0.871 ( -0.000 1.541 -0.000) 1.541 0.904 ( 0.000 1.789 -0.000) 1.789 0.969 ( 0.000 3.880 0.000) 3.880 1.024 ( -0.000 -0.115 0.000) 0.115 1.069 ( -0.000 2.800 -0.000) 2.800 1.099 ( 0.000 0.548 0.000) 0.548 1.109 ( -0.000 1.047 0.000) 1.047 1.112 ( -0.000 2.954 -0.000) 2.954 1.195 ( 0.000 0.152 0.000) 0.152 1.233 ( -0.000 -1.994 0.000) 1.994 1.274 ( -0.000 -1.063 0.000) 1.063 1.291 ( 0.000 0.200 0.000) 0.200 1.296 ( -0.000 -2.075 -0.000) 2.075 1.365 ( 0.000 -0.295 -0.000) 0.295 1.408 ( 0.000 -3.660 0.000) 3.660 1.452 ( 0.000 1.565 0.000) 1.565 1.524 ( 0.000 1.536 -0.000) 1.536 1.588 ( -0.000 -1.303 0.000) 1.303 1.630 ( 0.000 0.445 0.000) 0.445 1.681 ( -0.000 1.080 -0.000) 1.080 1.704 ( 0.000 1.335 0.000) 1.335 1.753 ( 0.000 -0.714 0.000) 0.714 1.802 ( 0.000 1.712 0.000) 1.712 1.820 ( 0.000 -1.031 -0.000) 1.031 1.829 ( -0.000 0.816 0.000) 0.816 1.880 ( -0.000 -0.245 0.000) 0.245 1.943 ( 0.000 -1.384 0.000) 1.384 1.954 ( -0.000 1.308 0.000) 1.308 1.999 ( 0.000 -0.920 0.000) 0.920 2.023 ( -0.000 -1.289 0.000) 1.289 2.070 ( -0.000 0.083 -0.000) 0.083 2.093 ( -0.000 4.631 0.000) 4.631 2.122 ( 0.000 0.104 0.000) 0.104 2.248 ( 0.000 2.175 0.000) 2.175 2.311 ( -0.000 1.212 0.000) 1.212 2.411 ( 0.000 -2.094 0.000) 2.094 2.460 ( -0.000 -3.031 0.000) 3.031 2.554 ( 0.000 -2.030 -0.000) 2.030 2.567 ( 0.000 -2.616 0.000) 2.616 2.673 ( 0.000 0.890 0.000) 0.890 2.870 ( 0.000 -2.435 0.000) 2.435 2.883 ( -0.000 -1.472 -0.000) 1.472 3.118 ( 0.000 1.471 0.000) 1.471 3.253 ( 0.000 -0.692 0.000) 0.692 3.400 ( 0.000 -3.278 -0.000) 3.278 3.401 ( -0.000 4.796 0.000) 4.796 3.660 ( 0.000 0.528 0.000) 0.528 3.753 ( -0.000 -0.532 0.000) 0.532 3.822 ( 0.000 2.668 -0.000) 2.668 3.860 ( -0.000 -11.743 -0.000) 11.743 4.072 ( -0.000 -6.465 0.000) 6.465 4.094 ( 0.000 -0.522 0.000) 0.522 4.723 ( 0.000 1.464 0.000) 1.464 4.904 ( 0.000 -4.358 0.000) 4.358 4.962 ( -0.000 4.860 0.000) 4.860 5.263 ( 0.000 0.035 0.000) 0.035 5.329 ( 0.000 2.580 0.000) 2.580 5.382 ( 0.000 2.323 -0.000) 2.323 5.973 ( -0.000 1.870 0.000) 1.870 6.110 ( 0.000 0.005 0.000) 0.005 8.283 ( 0.000 0.956 0.000) 0.956 8.449 ( -0.000 1.293 0.000) 1.293 8.516 ( 0.000 -2.834 -0.000) 2.834 8.601 ( 0.000 -0.688 0.000) 0.688 9.072 ( 0.000 2.006 0.000) 2.006 9.097 ( 0.000 1.807 0.000) 1.807 9.328 ( 0.000 -1.926 0.000) 1.926 9.353 ( 0.000 -2.547 0.000) 2.547 9.617 ( 0.000 3.344 0.000) 3.344 9.800 ( 0.000 2.740 0.000) 2.740 9.979 ( 0.000 -4.184 0.000) 4.184 10.111 ( 0.000 0.800 0.000) 0.800 10.213 ( 0.000 0.877 0.000) 0.877 10.372 ( 0.000 -2.029 0.000) 2.029 10.438 ( 0.000 0.066 -0.000) 0.066 10.495 ( 0.000 -1.313 0.000) 1.313======================= Grid point 14 (9/64) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.400 ( 0.000 8.144 0.000) 8.144 0.469 ( 0.000 5.069 0.000) 5.069 0.618 ( 0.000 2.681 0.000) 2.681 0.660 ( 0.000 -3.994 0.000) 3.994 0.696 ( 0.000 -4.764 0.000) 4.764 0.775 ( 0.000 -1.431 0.000) 1.431 0.837 ( 0.000 6.498 0.000) 6.498 0.846 ( 0.000 1.215 0.000) 1.215 0.920 ( 0.000 0.112 0.000) 0.112 0.921 ( 0.000 2.579 0.000) 2.579 0.989 ( 0.000 2.178 0.000) 2.178 1.020 ( 0.000 -0.326 0.000) 0.326 1.116 ( 0.000 1.436 0.000) 1.436 1.128 ( 0.000 1.395 0.000) 1.395 1.150 ( 0.000 1.149 0.000) 1.149 1.215 ( 0.000 -1.817 0.000) 1.817 1.223 ( 0.000 -0.746 0.000) 0.746 1.231 ( 0.000 -0.024 0.000) 0.024 1.251 ( 0.000 -1.150 0.000) 1.150 1.290 ( 0.000 -1.517 0.000) 1.517 1.323 ( 0.000 0.524 0.000) 0.524 1.372 ( 0.000 -1.143 0.000) 1.143 1.381 ( 0.000 0.331 0.000) 0.331 1.425 ( 0.000 -2.364 0.000) 2.364 1.462 ( 0.000 -1.844 0.000) 1.844 1.569 ( 0.000 -0.675 0.000) 0.675 1.604 ( 0.000 0.009 0.000) 0.009 1.676 ( 0.000 -0.550 0.000) 0.550 1.709 ( 0.000 5.314 0.000) 5.314 1.792 ( 0.000 0.920 0.000) 0.920 1.796 ( 0.000 -0.561 0.000) 0.561 1.830 ( 0.000 -0.215 0.000) 0.215 1.833 ( 0.000 -2.294 0.000) 2.294 1.862 ( 0.000 -1.713 0.000) 1.713 1.888 ( 0.000 -0.057 0.000) 0.057 1.924 ( 0.000 -0.774 0.000) 0.774 1.981 ( 0.000 -0.730 0.000) 0.730 2.008 ( 0.000 -2.738 0.000) 2.738 2.024 ( 0.000 1.478 0.000) 1.478 2.124 ( 0.000 -0.514 0.000) 0.514 2.164 ( 0.000 -3.932 0.000) 3.932 2.180 ( 0.000 -2.786 0.000) 2.786 2.362 ( 0.000 3.156 0.000) 3.156 2.436 ( 0.000 0.304 0.000) 0.304 2.443 ( 0.000 2.118 0.000) 2.118 2.470 ( 0.000 -1.936 0.000) 1.936 2.556 ( 0.000 0.608 0.000) 0.608 2.628 ( 0.000 -1.277 0.000) 1.277 2.942 ( 0.000 1.857 0.000) 1.857 2.959 ( 0.000 -0.177 0.000) 0.177 3.070 ( 0.000 0.594 0.000) 0.594 3.126 ( 0.000 -0.192 0.000) 0.192 3.285 ( 0.000 0.448 0.000) 0.448 3.310 ( 0.000 -1.521 0.000) 1.521 3.777 ( 0.000 7.927 0.000) 7.927 3.821 ( 0.000 2.191 0.000) 2.191 3.852 ( 0.000 1.154 0.000) 1.154 4.002 ( 0.000 -2.115 0.000) 2.115 4.016 ( 0.000 -1.860 0.000) 1.860 4.060 ( 0.000 -4.777 0.000) 4.777 4.762 ( 0.000 1.463 0.000) 1.463 4.780 ( 0.000 1.771 0.000) 1.771 5.031 ( 0.000 2.163 0.000) 2.163 5.173 ( 0.000 -4.338 0.000) 4.338 5.641 ( 0.000 3.820 0.000) 3.820 5.769 ( 0.000 -1.733 0.000) 1.733 5.983 ( 0.000 -1.254 0.000) 1.254 6.028 ( 0.000 -3.270 0.000) 3.270 8.290 ( 0.000 3.576 0.000) 3.576 8.449 ( 0.000 -3.389 0.000) 3.389 8.515 ( 0.000 1.588 0.000) 1.588 8.592 ( 0.000 -1.722 0.000) 1.722 9.066 ( 0.000 1.019 0.000) 1.019 9.153 ( 0.000 3.135 0.000) 3.135 9.161 ( 0.000 -3.653 0.000) 3.653 9.311 ( 0.000 -4.090 0.000) 4.090 9.769 ( 0.000 3.959 0.000) 3.959 9.855 ( 0.000 -1.037 0.000) 1.037 9.856 ( 0.000 4.630 0.000) 4.630 10.080 ( 0.000 -4.875 0.000) 4.875 10.282 ( 0.000 0.882 0.000) 0.882 10.327 ( 0.000 -1.086 0.000) 1.086 10.448 ( 0.000 0.193 0.000) 0.193 10.480 ( 0.000 -1.038 0.000) 1.038======================= Grid point 15 (10/64) =======================q-point: ( 0.17 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.450 ( 3.345 7.623 -0.884) 8.372 0.498 ( 2.521 7.363 2.090) 8.059 0.592 ( -0.933 1.019 -0.478) 1.462 0.697 ( 2.886 -3.971 -1.266) 5.069 0.747 ( -1.847 -0.961 1.831) 2.773 0.756 ( -1.990 0.023 1.061) 2.255 0.812 ( 0.877 -0.625 3.190) 3.366 0.880 ( -0.882 -1.609 -0.492) 1.900 0.886 ( -0.383 2.461 0.292) 2.508 0.926 ( -1.663 0.396 0.240) 1.727 0.963 ( 0.629 0.882 -0.058) 1.085 1.046 ( 0.073 2.894 1.316) 3.180 1.085 ( -3.865 -1.507 -1.424) 4.386 1.121 ( -0.084 0.763 -0.345) 0.842 1.143 ( -1.610 1.391 -0.414) 2.168 1.188 ( 1.586 1.511 -0.535) 2.255 1.203 ( -2.169 1.618 1.791) 3.245 1.215 ( -2.405 -0.292 1.522) 2.862 1.269 ( 0.573 -1.160 -0.193) 1.308 1.277 ( -2.246 -0.103 0.508) 2.305 1.344 ( 0.158 -0.854 -1.830) 2.025 1.352 ( 0.337 -2.058 0.710) 2.203 1.399 ( 2.087 0.215 1.266) 2.450 1.486 ( 2.646 -3.495 -1.055) 4.509 1.499 ( 3.227 0.482 0.883) 3.380 1.561 ( -0.774 -1.044 -0.055) 1.301 1.604 ( 1.482 0.363 -0.219) 1.541 1.671 ( 0.615 1.938 -2.147) 2.957 1.700 ( -0.541 4.124 0.505) 4.190 1.793 ( 1.274 0.865 -0.240) 1.558 1.800 ( -0.389 -2.244 -0.548) 2.342 1.815 ( -0.767 0.243 -0.682) 1.055 1.830 ( 0.907 -0.799 -1.526) 1.946 1.850 ( -0.635 0.018 -0.430) 0.768 1.898 ( 1.992 -1.182 -0.783) 2.445 1.938 ( -0.519 -1.059 0.636) 1.340 1.963 ( 0.321 -1.081 -2.020) 2.313 1.964 ( -0.915 -3.090 0.761) 3.311 2.093 ( 4.110 -0.115 -1.253) 4.298 2.109 ( -0.015 0.617 -0.120) 0.628 2.167 ( -1.159 -2.493 0.088) 2.750 2.195 ( 1.470 -3.803 0.152) 4.080 2.357 ( -2.243 1.239 0.805) 2.686 2.363 ( -1.839 4.252 0.935) 4.726 2.462 ( -0.427 -1.197 -0.391) 1.330 2.499 ( 1.069 1.768 -1.046) 2.316 2.561 ( 0.915 -1.218 0.307) 1.554 2.635 ( -0.243 -0.939 1.081) 1.453 2.947 ( -2.229 2.773 -2.181) 4.173 3.012 ( 4.309 0.517 0.627) 4.385 3.049 ( 1.196 0.192 -0.589) 1.346 3.146 ( 2.536 -4.527 0.148) 5.191 3.283 ( 0.087 0.157 0.053) 0.187 3.314 ( 0.479 -1.090 0.524) 1.301 3.693 ( -6.215 7.191 -1.492) 9.621 3.793 ( -0.288 1.012 -2.692) 2.890 3.849 ( -1.344 1.492 0.418) 2.051 3.955 ( -6.719 -1.877 4.069) 8.076 4.027 ( 0.417 -2.507 -0.331) 2.563 4.053 ( -2.235 -4.150 2.186) 5.196 4.755 ( 0.114 1.873 -0.469) 1.934 4.798 ( 1.354 0.763 0.240) 1.573 5.039 ( 1.132 2.012 -0.787) 2.439 5.168 ( -1.364 -4.036 1.483) 4.511 5.571 ( -6.155 2.567 -1.062) 6.752 5.651 ( -6.888 0.844 -4.093) 8.057 5.987 ( 1.502 0.773 -1.050) 1.989 6.071 ( 2.597 -2.244 0.328) 3.448 8.296 ( 0.329 3.268 0.449) 3.315 8.448 ( 0.136 -3.331 -0.424) 3.361 8.507 ( -1.057 1.445 0.425) 1.840 8.585 ( -0.592 -1.799 0.022) 1.894 9.084 ( 1.114 1.223 0.684) 1.790 9.150 ( -0.133 3.225 -0.184) 3.233 9.188 ( 2.380 -3.598 0.616) 4.358 9.305 ( -0.088 -3.863 -0.847) 3.956 9.790 ( 0.538 3.194 0.283) 3.251 9.822 ( -0.358 4.840 -1.406) 5.053 9.906 ( 0.847 -1.139 3.048) 3.363 10.081 ( 0.303 -4.783 -0.120) 4.794 10.282 ( -0.516 0.597 0.470) 0.918 10.328 ( 0.289 -1.773 -1.267) 2.198 10.417 ( -1.562 1.243 -0.026) 1.996 10.473 ( 0.009 -1.299 -1.221) 1.783======================= Grid point 16 (11/64) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.468 ( 1.581 4.725 -0.777) 5.043 0.540 ( -3.413 -0.259 -1.607) 3.781 0.607 ( 3.682 5.421 1.057) 6.638 0.704 ( 0.564 -0.525 -0.572) 0.959 0.711 ( -4.008 -0.644 -3.039) 5.071 0.725 ( -0.794 0.147 0.833) 1.161 0.783 ( 0.659 -1.738 -3.235) 3.730 0.845 ( -3.407 0.803 -1.394) 3.767 0.884 ( 1.249 -1.335 2.107) 2.790 0.959 ( -1.453 0.439 1.178) 1.922 0.990 ( 1.279 -0.697 1.554) 2.130 1.010 ( -3.526 2.177 2.657) 4.923 1.066 ( 0.380 -0.849 1.974) 2.182 1.106 ( -1.406 0.890 1.804) 2.454 1.120 ( -0.639 0.953 0.418) 1.222 1.173 ( -1.099 -0.155 -0.682) 1.303 1.197 ( -1.231 3.951 0.055) 4.138 1.228 ( 1.066 -1.300 0.240) 1.698 1.242 ( -1.382 -0.103 1.026) 1.725 1.282 ( 1.303 -2.240 -1.144) 2.833 1.296 ( -2.312 -1.811 -1.620) 3.354 1.354 ( -0.534 -1.836 -0.185) 1.921 1.430 ( -0.064 2.601 -2.517) 3.620 1.503 ( -1.053 0.256 -1.185) 1.606 1.523 ( 0.434 0.905 4.226) 4.343 1.561 ( 2.531 -0.402 -2.277) 3.429 1.639 ( 0.145 1.773 -0.464) 1.838 1.682 ( 2.636 1.097 0.971) 3.016 1.712 ( 1.044 2.438 -0.710) 2.746 1.769 ( -1.410 -1.197 -0.315) 1.877 1.779 ( -0.346 -0.232 -2.270) 2.308 1.820 ( 1.386 -2.366 -1.483) 3.117 1.840 ( -0.111 -0.844 -0.294) 0.900 1.872 ( 3.314 1.539 0.688) 3.719 1.890 ( -1.640 -1.566 1.261) 2.595 1.943 ( 2.362 -1.268 -0.703) 2.771 1.972 ( 1.887 -1.357 -0.306) 2.345 2.001 ( 1.090 -0.078 1.435) 1.804 2.106 ( 0.614 0.763 -0.187) 0.997 2.138 ( 1.324 -1.156 -1.300) 2.186 2.147 ( -0.176 3.420 -0.253) 3.434 2.219 ( 1.361 -2.959 0.190) 3.263 2.325 ( -2.325 -2.420 3.328) 4.726 2.386 ( 1.189 5.052 0.358) 5.203 2.424 ( -1.835 -0.947 -2.643) 3.354 2.488 ( 0.114 -0.444 -0.426) 0.626 2.569 ( -0.994 -1.743 -0.522) 2.073 2.648 ( 0.246 -1.881 1.574) 2.465 2.850 ( -1.835 1.412 -3.522) 4.215 2.976 ( -5.162 -1.232 -4.053) 6.678 3.108 ( 3.899 1.272 0.764) 4.172 3.221 ( 2.391 -2.569 -0.008) 3.509 3.315 ( 1.561 -1.572 1.037) 2.446 3.368 ( 4.658 -2.837 2.969) 6.210 3.606 ( -1.554 3.666 0.289) 3.992 3.742 ( -0.947 -2.105 -4.514) 5.070 3.807 ( -4.349 0.448 1.814) 4.733 3.887 ( -5.436 -0.365 3.953) 6.732 4.000 ( -3.189 -2.774 1.195) 4.392 4.055 ( 0.405 -2.369 0.339) 2.428 4.762 ( 0.899 2.302 -0.159) 2.476 4.829 ( 1.341 -0.689 0.535) 1.600 5.043 ( 0.809 2.196 -1.720) 2.904 5.172 ( -0.543 -3.998 2.530) 4.762 5.445 ( -4.765 2.346 -1.386) 5.489 5.495 ( -5.546 0.752 -2.512) 6.134 6.010 ( 2.074 2.630 -0.879) 3.463 6.102 ( 0.604 -1.115 0.145) 1.276 8.308 ( 0.298 2.546 0.465) 2.605 8.445 ( 0.473 -3.320 -0.861) 3.463 8.493 ( -1.316 1.566 0.966) 2.262 8.577 ( -0.349 -1.757 0.223) 1.805 9.113 ( 1.105 2.485 0.587) 2.782 9.147 ( 0.073 3.116 -0.134) 3.119 9.247 ( 2.602 -3.395 0.841) 4.360 9.291 ( -0.268 -3.512 -0.786) 3.609 9.738 ( -2.442 3.897 -2.050) 5.035 9.855 ( 2.281 4.053 0.206) 4.655 9.918 ( -1.891 -2.313 0.621) 3.051 10.090 ( 0.133 -3.367 0.580) 3.420 10.258 ( -1.793 1.049 -0.377) 2.111 10.318 ( 0.436 -2.196 -0.528) 2.301 10.424 ( 0.911 0.521 0.827) 1.336 10.464 ( 0.326 -1.330 -0.590) 1.491======================= Grid point 17 (12/64) =======================q-point: (-0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.441 ( 0.000 1.060 0.000) 1.060 0.525 ( -0.000 -0.423 -0.000) 0.423 0.611 ( 0.000 2.024 0.000) 2.024 0.644 ( -0.000 1.270 0.000) 1.270 0.709 ( 0.000 0.184 0.000) 0.184 0.745 ( 0.000 -2.269 0.000) 2.269 0.787 ( -0.000 2.931 -0.000) 2.931 0.806 ( 0.000 0.838 0.000) 0.838 0.913 ( 0.000 2.169 0.000) 2.169 0.933 ( 0.000 0.097 -0.000) 0.097 0.957 ( 0.000 -1.544 0.000) 1.544 1.030 ( -0.000 1.408 0.000) 1.408 1.095 ( 0.000 -1.556 0.000) 1.556 1.114 ( -0.000 0.380 -0.000) 0.380 1.148 ( -0.000 -0.660 0.000) 0.660 1.153 ( 0.000 -0.905 0.000) 0.905 1.192 ( 0.000 1.232 0.000) 1.232 1.194 ( 0.000 1.638 -0.000) 1.638 1.246 ( 0.000 -2.173 -0.000) 2.173 1.248 ( -0.000 -1.520 0.000) 1.520 1.296 ( -0.000 -1.924 0.000) 1.924 1.345 ( 0.000 -1.930 0.000) 1.930 1.401 ( -0.000 5.723 0.000) 5.723 1.478 ( 0.000 1.310 -0.000) 1.310 1.556 ( 0.000 -0.534 0.000) 0.534 1.582 ( -0.000 -0.579 -0.000) 0.579 1.638 ( 0.000 1.658 0.000) 1.658 1.707 ( 0.000 0.605 -0.000) 0.605 1.715 ( 0.000 2.144 -0.000) 2.144 1.752 ( 0.000 0.623 -0.000) 0.623 1.765 ( 0.000 -1.933 0.000) 1.933 1.821 ( -0.000 -1.646 0.000) 1.646 1.833 ( 0.000 -1.685 0.000) 1.685 1.890 ( -0.000 -3.881 0.000) 3.881 1.925 ( 0.000 4.709 -0.000) 4.709 1.969 ( -0.000 0.738 -0.000) 0.738 1.989 ( 0.000 0.066 0.000) 0.066 2.023 ( 0.000 1.099 0.000) 1.099 2.097 ( -0.000 1.877 0.000) 1.877 2.116 ( 0.000 -0.759 0.000) 0.759 2.196 ( 0.000 4.242 0.000) 4.242 2.224 ( -0.000 -4.028 0.000) 4.028 2.344 ( 0.000 -1.806 -0.000) 1.806 2.362 ( 0.000 -5.041 0.000) 5.041 2.398 ( 0.000 4.261 0.000) 4.261 2.513 ( -0.000 -2.257 -0.000) 2.257 2.521 ( 0.000 -0.729 0.000) 0.729 2.666 ( 0.000 -2.496 0.000) 2.496 2.845 ( 0.000 0.076 0.000) 0.076 2.855 ( -0.000 -0.593 -0.000) 0.593 3.148 ( 0.000 1.466 0.000) 1.466 3.237 ( 0.000 -0.998 0.000) 0.998 3.335 ( 0.000 -1.897 -0.000) 1.897 3.457 ( 0.000 -3.439 0.000) 3.439 3.626 ( 0.000 -3.614 0.000) 3.614 3.669 ( -0.000 0.028 -0.000) 0.028 3.773 ( -0.000 0.779 0.000) 0.779 3.859 ( -0.000 -0.569 0.000) 0.569 3.974 ( 0.000 -1.301 0.000) 1.301 4.062 ( 0.000 -2.331 0.000) 2.331 4.771 ( 0.000 2.683 -0.000) 2.683 4.847 ( -0.000 -1.516 0.000) 1.516 5.036 ( 0.000 2.677 0.000) 2.677 5.191 ( 0.000 -4.736 0.000) 4.736 5.393 ( 0.000 1.963 0.000) 1.963 5.419 ( -0.000 0.725 -0.000) 0.725 6.028 ( -0.000 2.956 0.000) 2.956 6.105 ( 0.000 -0.595 0.000) 0.595 8.314 ( 0.000 2.108 0.000) 2.108 8.445 ( -0.000 -3.747 0.000) 3.747 8.486 ( 0.000 2.165 0.000) 2.165 8.577 ( 0.000 -1.688 0.000) 1.688 9.128 ( 0.000 3.310 0.000) 3.310 9.148 ( 0.000 2.922 0.000) 2.922 9.274 ( 0.000 -3.011 0.000) 3.011 9.288 ( 0.000 -3.608 0.000) 3.608 9.697 ( 0.000 4.233 0.000) 4.233 9.886 ( -0.000 -4.651 0.000) 4.651 9.887 ( 0.000 5.412 -0.000) 5.412 10.095 ( 0.000 -2.583 0.000) 2.583 10.238 ( 0.000 1.432 0.000) 1.432 10.320 ( 0.000 -2.603 0.000) 2.603 10.440 ( 0.000 0.176 -0.000) 0.176 10.465 ( 0.000 -1.242 0.000) 1.242======================= Grid point 21 (13/64) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.550 ( 0.000 -6.238 0.000) 6.238 0.550 ( 0.000 6.238 0.000) 6.238 0.563 ( 0.000 -6.070 0.000) 6.070 0.563 ( 0.000 6.070 0.000) 6.070 0.718 ( 0.000 -4.525 0.000) 4.525 0.718 ( 0.000 4.525 0.000) 4.525 0.861 ( 0.000 -0.357 0.000) 0.357 0.861 ( 0.000 0.357 0.000) 0.357 0.967 ( 0.000 -0.325 0.000) 0.325 0.967 ( 0.000 0.325 0.000) 0.325 1.001 ( 0.000 -0.304 0.000) 0.304 1.001 ( 0.000 0.304 0.000) 0.304 1.133 ( 0.000 -0.115 0.000) 0.115 1.133 ( 0.000 0.115 0.000) 0.115 1.201 ( 0.000 -1.258 0.000) 1.258 1.201 ( 0.000 1.258 0.000) 1.258 1.206 ( 0.000 -1.705 0.000) 1.705 1.206 ( 0.000 1.705 0.000) 1.705 1.255 ( 0.000 -1.550 0.000) 1.550 1.255 ( 0.000 1.550 0.000) 1.550 1.338 ( 0.000 -1.027 0.000) 1.027 1.338 ( 0.000 1.027 0.000) 1.027 1.396 ( 0.000 -0.841 0.000) 0.841 1.396 ( 0.000 0.841 0.000) 0.841 1.509 ( 0.000 -4.852 0.000) 4.852 1.509 ( 0.000 4.852 0.000) 4.852 1.632 ( 0.000 -2.434 0.000) 2.434 1.632 ( 0.000 2.434 0.000) 2.434 1.808 ( 0.000 -0.993 0.000) 0.993 1.808 ( 0.000 0.993 0.000) 0.993 1.813 ( 0.000 -0.223 0.000) 0.223 1.813 ( 0.000 0.223 0.000) 0.223 1.819 ( 0.000 -2.415 0.000) 2.415 1.819 ( 0.000 2.415 0.000) 2.415 1.892 ( 0.000 -1.153 0.000) 1.153 1.892 ( 0.000 1.153 0.000) 1.153 1.969 ( 0.000 -0.620 0.000) 0.620 1.969 ( 0.000 0.620 0.000) 0.620 2.082 ( 0.000 -3.094 0.000) 3.094 2.082 ( 0.000 3.094 0.000) 3.094 2.129 ( 0.000 -0.888 0.000) 0.888 2.129 ( 0.000 0.888 0.000) 0.888 2.421 ( 0.000 -2.614 0.000) 2.614 2.421 ( 0.000 2.614 0.000) 2.614 2.455 ( 0.000 -0.961 0.000) 0.961 2.455 ( 0.000 0.961 0.000) 0.961 2.589 ( 0.000 -2.267 0.000) 2.267 2.589 ( 0.000 2.267 0.000) 2.267 2.958 ( 0.000 -0.096 0.000) 0.096 2.958 ( 0.000 0.096 0.000) 0.096 3.103 ( 0.000 -1.876 0.000) 1.876 3.103 ( 0.000 1.876 0.000) 1.876 3.291 ( 0.000 -0.374 0.000) 0.374 3.291 ( 0.000 0.374 0.000) 0.374 3.855 ( 0.000 -1.322 0.000) 1.322 3.855 ( 0.000 1.322 0.000) 1.322 3.928 ( 0.000 -5.326 0.000) 5.326 3.928 ( 0.000 5.326 0.000) 5.326 3.995 ( 0.000 -0.660 0.000) 0.660 3.995 ( 0.000 0.660 0.000) 0.660 4.789 ( 0.000 -0.764 0.000) 0.764 4.789 ( 0.000 0.764 0.000) 0.764 5.092 ( 0.000 -3.507 0.000) 3.507 5.092 ( 0.000 3.507 0.000) 3.507 5.717 ( 0.000 -3.274 0.000) 3.274 5.717 ( 0.000 3.274 0.000) 3.274 5.978 ( 0.000 -1.102 0.000) 1.102 5.978 ( 0.000 1.102 0.000) 1.102 8.370 ( 0.000 -4.002 0.000) 4.002 8.370 ( 0.000 4.002 0.000) 4.002 8.553 ( 0.000 -1.939 0.000) 1.939 8.553 ( 0.000 1.939 0.000) 1.939 9.099 ( 0.000 -2.234 0.000) 2.234 9.099 ( 0.000 2.234 0.000) 2.234 9.227 ( 0.000 -3.904 0.000) 3.904 9.227 ( 0.000 3.904 0.000) 3.904 9.826 ( 0.000 -1.858 0.000) 1.858 9.826 ( 0.000 1.858 0.000) 1.858 9.968 ( 0.000 -5.717 0.000) 5.717 9.968 ( 0.000 5.717 0.000) 5.717 10.303 ( 0.000 -1.138 0.000) 1.138 10.303 ( 0.000 1.138 0.000) 1.138 10.459 ( 0.000 -0.844 0.000) 0.844 10.459 ( 0.000 0.844 0.000) 0.844======================= Grid point 23 (14/64) =======================q-point: ( 0.17 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.562 ( 3.460 -3.427 -1.892) 5.225 0.562 ( 3.460 3.427 -1.892) 5.225 0.648 ( 2.351 -4.606 3.231) 6.098 0.648 ( 2.351 4.606 3.231) 6.098 0.704 ( -1.845 -4.176 0.766) 4.629 0.704 ( -1.845 4.176 0.766) 4.629 0.849 ( -1.032 -1.957 0.690) 2.317 0.849 ( -1.032 1.957 0.690) 2.317 0.914 ( -3.245 -1.666 0.118) 3.649 0.914 ( -3.245 1.666 0.118) 3.649 1.018 ( -0.571 -3.367 0.840) 3.517 1.018 ( -0.571 3.367 0.840) 3.517 1.118 ( -0.731 -1.975 -1.213) 2.430 1.118 ( -0.731 1.975 -1.213) 2.430 1.167 ( -1.520 -2.041 -0.132) 2.548 1.167 ( -1.520 2.041 -0.132) 2.548 1.238 ( 0.415 -1.449 0.505) 1.590 1.238 ( 0.415 1.449 0.505) 1.590 1.259 ( -0.703 -2.257 1.088) 2.602 1.259 ( -0.703 2.257 1.088) 2.602 1.320 ( -1.177 -0.383 -0.435) 1.312 1.320 ( -1.177 0.383 -0.435) 1.312 1.428 ( 3.423 -2.372 0.148) 4.168 1.428 ( 3.423 2.372 0.148) 4.168 1.530 ( 1.215 -1.818 0.744) 2.309 1.530 ( 1.215 1.818 0.744) 2.309 1.652 ( 2.251 -3.844 -0.224) 4.460 1.652 ( 2.251 3.844 -0.224) 4.460 1.774 ( -1.809 -2.411 -1.142) 3.223 1.774 ( -1.809 2.411 -1.142) 3.223 1.798 ( -0.664 -2.435 -1.043) 2.731 1.798 ( -0.664 2.435 -1.043) 2.731 1.849 ( 2.285 -0.510 -0.379) 2.372 1.849 ( 2.285 0.510 -0.379) 2.372 1.898 ( -0.357 -1.982 1.438) 2.474 1.898 ( -0.357 1.982 1.438) 2.474 1.935 ( -0.526 -1.440 -1.976) 2.501 1.935 ( -0.526 1.440 -1.976) 2.501 2.102 ( 1.307 -1.273 -1.152) 2.158 2.102 ( 1.307 1.273 -1.152) 2.158 2.141 ( 1.934 -1.448 0.731) 2.524 2.141 ( 1.934 1.448 0.731) 2.524 2.396 ( -2.601 -3.198 -0.021) 4.123 2.396 ( -2.601 3.198 -0.021) 4.123 2.469 ( 0.624 -4.147 1.229) 4.370 2.469 ( 0.624 4.147 1.229) 4.370 2.596 ( 0.299 -2.797 -0.483) 2.854 2.596 ( 0.299 2.797 -0.483) 2.854 2.999 ( 0.831 -1.802 0.252) 2.000 2.999 ( 0.831 1.802 0.252) 2.000 3.072 ( 1.074 -2.354 -1.824) 3.165 3.072 ( 1.074 2.354 -1.824) 3.165 3.293 ( 0.144 -0.784 0.321) 0.859 3.293 ( 0.144 0.784 0.321) 0.859 3.796 ( -2.474 -1.977 -5.559) 6.398 3.796 ( -2.474 1.977 -5.559) 6.398 3.898 ( -6.084 -3.547 5.334) 8.835 3.898 ( -6.084 3.547 5.334) 8.835 3.999 ( -0.621 -0.894 1.462) 1.823 3.999 ( -0.621 0.894 1.462) 1.823 4.791 ( 0.512 -1.317 -0.251) 1.435 4.791 ( 0.512 1.317 -0.251) 1.435 5.093 ( -0.217 -3.153 0.605) 3.218 5.093 ( -0.217 3.153 0.605) 3.218 5.623 ( -6.884 -2.431 -1.975) 7.563 5.623 ( -6.884 2.431 -1.975) 7.563 6.022 ( 3.312 -2.237 -0.173) 4.000 6.022 ( 3.312 2.237 -0.173) 4.000 8.371 ( -0.044 -3.807 0.157) 3.810 8.371 ( -0.044 3.807 0.157) 3.810 8.545 ( -0.720 -1.995 0.023) 2.121 8.545 ( -0.720 1.995 0.023) 2.121 9.123 ( 2.007 -2.539 0.652) 3.301 9.123 ( 2.007 2.539 0.652) 3.301 9.224 ( 0.103 -3.811 -0.640) 3.865 9.224 ( 0.103 3.811 -0.640) 3.865 9.843 ( 0.707 -1.989 -0.079) 2.112 9.843 ( 0.707 1.989 -0.079) 2.112 9.968 ( -0.197 -5.766 1.037) 5.862 9.968 ( -0.197 5.766 1.037) 5.862 10.299 ( -0.475 -1.091 -0.198) 1.207 10.299 ( -0.475 1.091 -0.198) 1.207 10.444 ( -0.568 -1.409 -0.776) 1.706 10.444 ( -0.568 1.409 -0.776) 1.706======================= Grid point 25 (15/64) =======================q-point: ( 0.33 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.538 ( -3.502 -1.704 -1.661) 4.234 0.538 ( -3.502 1.704 -1.661) 4.234 0.684 ( 0.029 -2.101 -0.332) 2.127 0.684 ( 0.029 2.101 -0.332) 2.127 0.720 ( 1.408 -0.866 0.124) 1.658 0.720 ( 1.408 0.866 0.124) 1.658 0.793 ( -0.904 -4.087 -1.589) 4.477 0.793 ( -0.904 4.087 -1.589) 4.477 0.922 ( -0.836 -3.851 2.556) 4.697 0.922 ( -0.836 3.851 2.556) 4.697 1.005 ( -1.578 -1.965 1.897) 3.155 1.005 ( -1.578 1.965 1.897) 3.155 1.090 ( -1.662 -2.348 0.911) 3.018 1.090 ( -1.662 2.348 0.911) 3.018 1.152 ( 0.589 -1.291 -1.571) 2.117 1.152 ( 0.589 1.291 -1.571) 2.117 1.224 ( -0.727 -1.655 -0.819) 1.985 1.224 ( -0.727 1.655 -0.819) 1.985 1.248 ( -1.643 -0.384 0.537) 1.771 1.248 ( -1.643 0.384 0.537) 1.771 1.302 ( -0.626 -2.596 -0.027) 2.670 1.302 ( -0.626 2.596 -0.027) 2.670 1.498 ( 3.440 -2.032 -0.397) 4.015 1.498 ( 3.440 2.032 -0.397) 4.015 1.532 ( -1.605 -0.639 0.356) 1.764 1.532 ( -1.605 0.639 0.356) 1.764 1.703 ( 2.231 -1.173 0.316) 2.541 1.703 ( 2.231 1.173 0.316) 2.541 1.736 ( -0.016 -2.270 -1.570) 2.760 1.736 ( -0.016 2.270 -1.570) 2.760 1.777 ( -0.418 -2.419 -0.004) 2.454 1.777 ( -0.418 2.419 -0.004) 2.454 1.837 ( -1.782 -1.830 -1.246) 2.842 1.837 ( -1.782 1.830 -1.246) 2.842 1.935 ( 3.769 -1.283 0.386) 4.000 1.935 ( 3.769 1.283 0.386) 4.000 1.972 ( 3.197 -2.976 1.801) 4.724 1.972 ( 3.197 2.976 1.801) 4.724 2.100 ( 0.102 -1.284 -0.811) 1.522 2.100 ( 0.102 1.284 -0.811) 1.522 2.193 ( 2.068 -0.873 -0.091) 2.247 2.193 ( 2.068 0.873 -0.091) 2.247 2.345 ( -2.353 -4.214 -0.221) 4.832 2.345 ( -2.353 4.214 -0.221) 4.832 2.481 ( -1.124 -3.187 0.543) 3.423 2.481 ( -1.124 3.187 0.543) 3.423 2.581 ( -0.466 -3.650 -0.622) 3.732 2.581 ( -0.466 3.650 -0.622) 3.732 2.914 ( -3.137 -4.007 -4.366) 6.705 2.914 ( -3.137 4.007 -4.366) 6.705 3.156 ( 3.612 -3.342 1.563) 5.163 3.156 ( 3.612 3.342 1.563) 5.163 3.314 ( 1.459 -1.310 1.046) 2.222 3.314 ( 1.459 1.310 1.046) 2.222 3.687 ( -2.840 -3.307 -2.494) 5.022 3.687 ( -2.840 3.307 -2.494) 5.022 3.845 ( -5.244 -2.755 3.271) 6.766 3.845 ( -5.244 2.755 3.271) 6.766 4.004 ( -0.534 -2.160 1.080) 2.473 4.004 ( -0.534 2.160 1.080) 2.473 4.805 ( 1.077 -1.686 0.049) 2.001 4.805 ( 1.077 1.686 0.049) 2.001 5.097 ( -0.241 -3.113 0.648) 3.189 5.097 ( -0.241 3.113 0.648) 3.189 5.481 ( -5.363 -1.426 -1.751) 5.819 5.481 ( -5.363 1.426 -1.751) 5.819 6.066 ( 1.804 -2.356 -0.304) 2.982 6.066 ( 1.804 2.356 -0.304) 2.982 8.371 ( -0.110 -3.424 0.076) 3.427 8.371 ( -0.110 3.424 0.076) 3.427 8.535 ( -0.446 -2.179 0.304) 2.245 8.535 ( -0.446 2.179 0.304) 2.245 9.174 ( 2.395 -3.244 0.551) 4.070 9.174 ( 2.395 3.244 0.551) 4.070 9.217 ( -0.071 -3.418 -0.432) 3.446 9.217 ( -0.071 3.418 -0.432) 3.446 9.820 ( -1.479 -3.905 -1.661) 4.494 9.820 ( -1.479 3.905 -1.661) 4.494 9.992 ( 0.434 -5.606 1.639) 5.857 9.992 ( 0.434 5.606 1.639) 5.857 10.282 ( -0.634 -1.310 -0.514) 1.543 10.282 ( -0.634 1.310 -0.514) 1.543 10.439 ( 0.451 -0.984 0.063) 1.085 10.439 ( 0.451 0.984 0.063) 1.085======================= Grid point 27 (16/64) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.484 ( 0.000 -2.584 0.000) 2.584 0.484 ( 0.000 2.584 0.000) 2.584 0.655 ( 0.000 -0.829 0.000) 0.829 0.655 ( 0.000 0.829 0.000) 0.829 0.724 ( 0.000 -0.496 0.000) 0.496 0.724 ( 0.000 0.496 0.000) 0.496 0.812 ( 0.000 -0.037 0.000) 0.037 0.812 ( 0.000 0.037 -0.000) 0.037 0.915 ( 0.000 -0.456 0.000) 0.456 0.915 ( -0.000 0.456 0.000) 0.456 1.015 ( 0.000 -4.865 0.000) 4.865 1.015 ( 0.000 4.865 0.000) 4.865 1.083 ( 0.000 -2.767 0.000) 2.767 1.083 ( 0.000 2.767 0.000) 2.767 1.139 ( 0.000 -0.411 0.000) 0.411 1.139 ( 0.000 0.411 0.000) 0.411 1.216 ( 0.000 -0.724 -0.000) 0.724 1.216 ( 0.000 0.724 -0.000) 0.724 1.230 ( -0.000 -0.303 0.000) 0.303 1.230 ( 0.000 0.303 0.000) 0.303 1.294 ( 0.000 -2.027 0.000) 2.027 1.294 ( 0.000 2.027 0.000) 2.027 1.511 ( -0.000 -0.288 0.000) 0.288 1.511 ( -0.000 0.288 0.000) 0.288 1.527 ( 0.000 -2.789 -0.000) 2.789 1.527 ( 0.000 2.789 -0.000) 2.789 1.720 ( 0.000 -4.195 0.000) 4.195 1.720 ( 0.000 4.195 0.000) 4.195 1.739 ( 0.000 -1.515 0.000) 1.515 1.739 ( 0.000 1.515 0.000) 1.515 1.771 ( 0.000 -1.879 0.000) 1.879 1.771 ( 0.000 1.879 0.000) 1.879 1.810 ( 0.000 -2.741 0.000) 2.741 1.810 ( 0.000 2.741 -0.000) 2.741 1.983 ( 0.000 -0.852 0.000) 0.852 1.983 ( 0.000 0.852 0.000) 0.852 2.039 ( 0.000 -3.604 0.000) 3.604 2.039 ( 0.000 3.604 0.000) 3.604 2.086 ( 0.000 -6.465 0.000) 6.465 2.086 ( 0.000 6.465 0.000) 6.465 2.201 ( 0.000 -3.763 0.000) 3.763 2.201 ( 0.000 3.763 0.000) 3.763 2.321 ( 0.000 -0.942 0.000) 0.942 2.321 ( 0.000 0.942 0.000) 0.942 2.463 ( 0.000 -2.194 0.000) 2.194 2.463 ( 0.000 2.194 0.000) 2.194 2.575 ( 0.000 -5.094 0.000) 5.094 2.575 ( 0.000 5.094 0.000) 5.094 2.853 ( 0.000 -0.168 0.000) 0.168 2.853 ( 0.000 0.168 0.000) 0.168 3.194 ( 0.000 -2.983 0.000) 2.983 3.194 ( 0.000 2.983 0.000) 2.983 3.344 ( 0.000 -3.104 0.000) 3.104 3.344 ( 0.000 3.104 0.000) 3.104 3.651 ( 0.000 -1.916 0.000) 1.916 3.651 ( 0.000 1.916 0.000) 1.916 3.809 ( 0.000 -2.654 0.000) 2.654 3.809 ( 0.000 2.654 0.000) 2.654 4.006 ( 0.000 -2.783 0.000) 2.783 4.006 ( 0.000 2.783 0.000) 2.783 4.818 ( 0.000 -1.671 -0.000) 1.671 4.818 ( 0.000 1.671 0.000) 1.671 5.099 ( 0.000 -3.756 0.000) 3.756 5.099 ( 0.000 3.756 0.000) 3.756 5.417 ( 0.000 -0.633 0.000) 0.633 5.417 ( 0.000 0.633 0.000) 0.633 6.080 ( 0.000 -1.904 0.000) 1.904 6.080 ( 0.000 1.904 0.000) 1.904 8.370 ( 0.000 -3.242 0.000) 3.242 8.370 ( -0.000 3.242 0.000) 3.242 8.534 ( 0.000 -2.308 0.000) 2.308 8.534 ( 0.000 2.308 0.000) 2.308 9.204 ( 0.000 -3.792 0.000) 3.792 9.204 ( 0.000 3.792 0.000) 3.792 9.212 ( 0.000 -3.292 0.000) 3.292 9.212 ( 0.000 3.292 0.000) 3.292 9.789 ( 0.000 -4.570 0.000) 4.570 9.789 ( 0.000 4.570 0.000) 4.570 10.006 ( 0.000 -5.524 0.000) 5.524 10.006 ( 0.000 5.524 0.000) 5.524 10.273 ( 0.000 -1.947 0.000) 1.947 10.273 ( 0.000 1.947 0.000) 1.947 10.447 ( 0.000 -0.538 0.000) 0.538 10.447 ( 0.000 0.538 0.000) 0.538======================= Grid point 49 (17/64) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.218 ( -2.241 0.000 11.018) 11.244 0.219 ( -6.395 0.000 10.895) 12.633 0.397 ( 2.518 0.000 19.250) 19.414 0.703 ( 5.502 0.000 -4.703) 7.238 0.717 ( 1.572 0.000 -3.215) 3.579 0.760 ( 2.216 0.000 2.308) 3.200 0.788 ( 0.402 0.000 -0.027) 0.403 0.799 ( 1.661 0.000 1.143) 2.016 0.863 ( -0.009 0.000 -1.830) 1.830 0.927 ( 0.835 0.000 1.192) 1.456 0.944 ( 0.902 0.000 -3.047) 3.177 1.054 ( -5.724 0.000 -3.020) 6.471 1.087 ( -0.108 0.000 -2.607) 2.609 1.149 ( 1.238 0.000 -1.887) 2.256 1.163 ( 2.159 0.000 1.333) 2.537 1.171 ( -4.993 0.000 2.255) 5.479 1.244 ( 1.622 0.000 -1.153) 1.990 1.269 ( -6.860 0.000 2.232) 7.214 1.276 ( 1.082 0.000 -0.927) 1.425 1.301 ( -2.866 0.000 -1.536) 3.252 1.314 ( 0.758 0.000 -2.161) 2.290 1.367 ( 1.103 0.000 -1.018) 1.501 1.429 ( -1.391 0.000 -0.291) 1.421 1.512 ( -1.208 0.000 1.844) 2.205 1.541 ( 1.243 0.000 -2.562) 2.848 1.585 ( -0.190 0.000 1.044) 1.061 1.588 ( -0.906 0.000 -1.603) 1.841 1.629 ( -2.805 0.000 2.006) 3.448 1.657 ( 2.453 0.000 1.606) 2.932 1.732 ( -0.655 0.000 -2.987) 3.058 1.770 ( -1.699 0.000 0.028) 1.700 1.827 ( 2.383 0.000 -1.011) 2.589 1.875 ( 1.056 0.000 1.725) 2.023 1.888 ( -1.694 0.000 1.532) 2.284 1.921 ( -1.054 0.000 1.212) 1.606 1.946 ( -0.166 0.000 -0.104) 0.196 2.001 ( -1.011 0.000 -0.011) 1.011 2.024 ( -1.381 0.000 -0.777) 1.585 2.081 ( -0.606 0.000 0.053) 0.608 2.106 ( -0.202 0.000 -1.245) 1.261 2.155 ( -0.983 0.000 -1.365) 1.682 2.167 ( 4.924 0.000 0.398) 4.940 2.264 ( -1.134 0.000 -0.049) 1.135 2.309 ( 3.181 0.000 -5.399) 6.266 2.484 ( 0.084 0.000 1.355) 1.357 2.534 ( 1.270 0.000 -0.765) 1.483 2.594 ( -0.517 0.000 3.134) 3.177 2.641 ( 0.893 0.000 0.564) 1.057 2.874 ( 1.814 0.000 2.208) 2.858 2.909 ( -2.955 0.000 3.475) 4.562 3.117 ( -2.868 0.000 -0.400) 2.895 3.261 ( 1.961 0.000 0.366) 1.995 3.279 ( 31.129 0.000 -1.332) 31.158 3.349 ( -1.027 0.000 -1.691) 1.978 3.428 ( -1.395 0.000 1.401) 1.977 3.548 ( -4.357 0.000 -2.083) 4.829 3.836 ( -2.435 0.000 1.990) 3.145 4.041 ( 1.571 0.000 -2.766) 3.181 4.230 ( 1.808 0.000 1.009) 2.070 4.293 ( -19.178 0.000 -0.524) 19.185 4.693 ( 0.139 0.000 1.359) 1.367 4.794 ( 2.804 0.000 2.710) 3.900 4.833 ( 0.452 0.000 -1.926) 1.979 5.069 ( 2.964 0.000 -5.214) 5.998 5.391 ( -1.205 0.000 4.565) 4.722 5.585 ( -4.758 0.000 -1.393) 4.958 6.042 ( -1.223 0.000 0.997) 1.578 6.112 ( 0.918 0.000 -0.697) 1.152 8.225 ( -0.394 0.000 1.962) 2.001 8.437 ( 1.591 0.000 -4.063) 4.364 8.565 ( -0.244 0.000 2.110) 2.124 8.627 ( 0.141 0.000 -0.314) 0.344 9.078 ( 3.066 0.000 0.412) 3.094 9.085 ( -0.311 0.000 0.221) 0.382 9.308 ( -0.382 0.000 0.914) 0.991 9.411 ( 0.253 0.000 -1.541) 1.562 9.620 ( 1.541 0.000 1.699) 2.294 9.741 ( -1.768 0.000 -1.301) 2.195 10.026 ( 8.754 0.000 1.266) 8.845 10.177 ( -0.047 0.000 -2.474) 2.474 10.282 ( -8.803 0.000 0.255) 8.807 10.297 ( 0.231 0.000 0.299) 0.378 10.373 ( 0.624 0.000 1.918) 2.017 10.495 ( -1.005 0.000 -1.132) 1.514======================= Grid point 50 (18/64) =======================q-point: ( 0.17 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.264 ( 2.304 0.000 7.854) 8.185 0.372 ( 4.103 0.000 7.228) 8.311 0.685 ( 3.133 0.000 6.304) 7.040 0.707 ( 3.691 0.000 -2.258) 4.327 0.733 ( 1.926 0.000 -4.563) 4.953 0.769 ( -2.414 0.000 -1.541) 2.864 0.827 ( -2.690 0.000 -5.216) 5.869 0.829 ( 0.824 0.000 2.682) 2.806 0.880 ( -5.208 0.000 -0.336) 5.218 0.880 ( 6.742 0.000 2.509) 7.193 0.954 ( -0.669 0.000 2.813) 2.891 0.954 ( 1.965 0.000 -3.286) 3.828 1.053 ( -5.052 0.000 -1.997) 5.433 1.076 ( 0.972 0.000 -1.060) 1.439 1.147 ( -0.232 0.000 0.392) 0.455 1.166 ( -3.949 0.000 1.914) 4.388 1.224 ( -3.226 0.000 1.864) 3.726 1.234 ( 0.174 0.000 0.505) 0.534 1.279 ( 2.249 0.000 -2.145) 3.108 1.281 ( 0.247 0.000 -2.443) 2.455 1.329 ( 1.432 0.000 1.078) 1.793 1.382 ( 0.275 0.000 -2.015) 2.033 1.401 ( 1.065 0.000 -0.369) 1.127 1.482 ( -4.488 0.000 -0.057) 4.489 1.502 ( -1.253 0.000 -0.180) 1.266 1.572 ( 0.197 0.000 -1.466) 1.479 1.596 ( 0.321 0.000 1.967) 1.993 1.655 ( 2.905 0.000 -0.833) 3.022 1.670 ( -1.117 0.000 -1.041) 1.527 1.745 ( 2.932 0.000 1.088) 3.128 1.774 ( 1.552 0.000 0.651) 1.684 1.828 ( -1.678 0.000 -2.779) 3.246 1.854 ( -0.443 0.000 2.062) 2.109 1.899 ( -0.873 0.000 -1.101) 1.405 1.941 ( 0.283 0.000 1.854) 1.876 1.960 ( 0.977 0.000 0.976) 1.381 1.989 ( -0.175 0.000 2.225) 2.232 1.998 ( -0.807 0.000 0.084) 0.811 2.063 ( -2.093 0.000 1.098) 2.364 2.103 ( 1.365 0.000 -1.640) 2.134 2.113 ( -1.083 0.000 -2.533) 2.754 2.223 ( -1.121 0.000 -1.750) 2.078 2.249 ( 3.320 0.000 -0.227) 3.327 2.335 ( 4.654 0.000 -2.516) 5.291 2.495 ( 0.048 0.000 0.218) 0.224 2.558 ( 2.084 0.000 -0.710) 2.202 2.623 ( -0.628 0.000 2.742) 2.813 2.654 ( 0.351 0.000 0.000) 0.351 2.884 ( -2.001 0.000 1.295) 2.383 2.986 ( 4.991 0.000 2.787) 5.717 3.033 ( -5.256 0.000 -1.352) 5.427 3.295 ( 1.828 0.000 1.141) 2.155 3.299 ( -1.454 0.000 -1.900) 2.392 3.428 ( 0.790 0.000 -5.131) 5.192 3.488 ( 5.666 0.000 0.932) 5.743 3.677 ( 13.411 0.000 -4.296) 14.082 3.818 ( -2.022 0.000 1.818) 2.720 4.037 ( 1.516 0.000 -2.397) 2.836 4.066 ( -10.026 0.000 4.076) 10.823 4.254 ( -1.747 0.000 2.807) 3.306 4.718 ( 0.179 0.000 1.937) 1.945 4.827 ( 1.876 0.000 -2.465) 3.098 4.853 ( 3.015 0.000 0.163) 3.019 5.080 ( 4.710 0.000 -4.849) 6.760 5.409 ( -3.060 0.000 4.753) 5.652 5.492 ( -4.899 0.000 0.190) 4.902 6.018 ( -2.411 0.000 0.795) 2.539 6.116 ( 0.217 0.000 -0.487) 0.533 8.252 ( 0.309 0.000 2.426) 2.445 8.411 ( 1.378 0.000 -4.093) 4.319 8.574 ( -1.086 0.000 1.713) 2.028 8.621 ( -0.327 0.000 -0.414) 0.527 9.078 ( -0.353 0.000 0.142) 0.381 9.098 ( -0.727 0.000 -0.065) 0.730 9.322 ( 0.510 0.000 1.312) 1.408 9.404 ( 0.320 0.000 -1.414) 1.450 9.665 ( -3.481 0.000 -2.689) 4.398 9.681 ( 2.498 0.000 2.371) 3.444 10.061 ( -1.945 0.000 2.688) 3.318 10.128 ( -1.112 0.000 -3.668) 3.832 10.282 ( -2.645 0.000 0.355) 2.669 10.295 ( 4.989 0.000 -2.207) 5.455 10.430 ( 1.018 0.000 2.895) 3.069 10.474 ( 1.061 0.000 -1.201) 1.603======================= Grid point 51 (19/64) =======================q-point: ( 0.33 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.434 ( -2.345 0.000 0.197) 2.353 0.453 ( 10.038 0.000 2.794) 10.419 0.594 ( -7.068 0.000 -3.046) 7.696 0.674 ( -2.213 0.000 -2.919) 3.663 0.718 ( 3.026 0.000 -0.126) 3.029 0.743 ( 4.275 0.000 -4.495) 6.203 0.776 ( 0.492 0.000 -1.227) 1.322 0.822 ( -3.496 0.000 -0.922) 3.615 0.873 ( -0.115 0.000 1.546) 1.550 0.903 ( -1.250 0.000 -2.144) 2.482 0.946 ( -2.804 0.000 3.245) 4.288 1.026 ( 3.425 0.000 2.005) 3.969 1.041 ( 1.821 0.000 -0.053) 1.822 1.095 ( 0.275 0.000 0.677) 0.731 1.133 ( -3.113 0.000 3.937) 5.019 1.152 ( -6.211 0.000 2.561) 6.718 1.198 ( -0.919 0.000 -0.652) 1.126 1.229 ( 0.401 0.000 1.033) 1.108 1.264 ( 2.749 0.000 -0.569) 2.807 1.284 ( 1.925 0.000 -3.812) 4.270 1.324 ( -0.899 0.000 0.113) 0.907 1.366 ( 0.463 0.000 0.567) 0.732 1.425 ( -1.789 0.000 0.112) 1.793 1.445 ( 0.620 0.000 1.153) 1.309 1.545 ( 0.898 0.000 -2.201) 2.377 1.556 ( 3.477 0.000 5.549) 6.549 1.637 ( 1.545 0.000 0.423) 1.602 1.651 ( -1.127 0.000 0.643) 1.298 1.677 ( 0.117 0.000 -2.367) 2.370 1.761 ( -1.374 0.000 -1.237) 1.849 1.779 ( 0.668 0.000 -0.655) 0.935 1.787 ( 0.110 0.000 -0.765) 0.773 1.868 ( -1.314 0.000 1.158) 1.751 1.898 ( 0.387 0.000 2.271) 2.304 1.971 ( 0.791 0.000 0.739) 1.082 1.981 ( 0.162 0.000 0.720) 0.738 1.984 ( -2.297 0.000 -0.328) 2.320 1.997 ( 0.960 0.000 -0.247) 0.992 2.049 ( -0.993 0.000 -2.502) 2.692 2.087 ( 0.475 0.000 3.389) 3.422 2.107 ( 1.148 0.000 -1.675) 2.031 2.201 ( 0.838 0.000 -1.650) 1.851 2.282 ( 1.478 0.000 -0.947) 1.755 2.390 ( 3.354 0.000 -1.221) 3.569 2.497 ( -0.397 0.000 0.664) 0.774 2.587 ( 1.406 0.000 -0.196) 1.419 2.596 ( -2.310 0.000 -3.055) 3.830 2.651 ( 0.335 0.000 -1.019) 1.072 2.904 ( -1.541 0.000 2.521) 2.955 2.933 ( -0.639 0.000 0.399) 0.754 3.072 ( 2.293 0.000 -0.222) 2.304 3.264 ( -0.556 0.000 -0.825) 0.995 3.338 ( 0.911 0.000 0.890) 1.274 3.388 ( 2.090 0.000 -6.030) 6.382 3.607 ( 5.067 0.000 0.969) 5.159 3.785 ( 1.481 0.000 -1.517) 2.121 3.824 ( -1.189 0.000 5.765) 5.886 3.987 ( -0.847 0.000 -0.361) 0.920 4.042 ( 2.014 0.000 -2.095) 2.906 4.229 ( -4.545 0.000 2.325) 5.105 4.734 ( -0.910 0.000 1.766) 1.986 4.840 ( 2.647 0.000 -2.555) 3.679 4.931 ( 4.712 0.000 0.729) 4.768 5.124 ( 5.513 0.000 -3.059) 6.305 5.388 ( -4.373 0.000 2.810) 5.198 5.407 ( -4.431 0.000 0.260) 4.439 5.984 ( -2.333 0.000 1.381) 2.711 6.109 ( -0.127 0.000 -0.642) 0.655 8.282 ( -0.234 0.000 1.906) 1.920 8.396 ( 2.060 0.000 -3.449) 4.017 8.571 ( -1.255 0.000 1.300) 1.807 8.609 ( -0.296 0.000 -0.480) 0.564 9.071 ( -1.791 0.000 0.003) 1.791 9.076 ( -0.041 0.000 -0.320) 0.323 9.351 ( 0.312 0.000 1.650) 1.679 9.388 ( -0.344 0.000 -0.778) 0.851 9.587 ( -1.627 0.000 -0.994) 1.906 9.749 ( 2.245 0.000 0.925) 2.428 10.063 ( -1.336 0.000 2.063) 2.458 10.069 ( -0.011 0.000 -3.290) 3.290 10.232 ( -2.566 0.000 0.435) 2.603 10.339 ( 3.016 0.000 -2.764) 4.091 10.468 ( -0.468 0.000 2.781) 2.820 10.498 ( 1.477 0.000 0.164) 1.487======================= Grid point 52 (20/64) =======================q-point: (-0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.454 ( -1.275 0.000 4.422) 4.602 0.532 ( -5.965 0.000 -2.188) 6.353 0.561 ( 5.914 0.000 2.557) 6.443 0.678 ( 8.048 0.000 0.052) 8.048 0.751 ( 2.288 0.000 -2.044) 3.068 0.781 ( 4.308 0.000 -3.293) 5.422 0.796 ( -1.043 0.000 1.862) 2.134 0.801 ( 2.871 0.000 1.014) 3.045 0.855 ( -3.386 0.000 -0.532) 3.427 0.900 ( -5.039 0.000 0.762) 5.097 0.907 ( 2.726 0.000 0.780) 2.835 1.047 ( 0.865 0.000 0.572) 1.037 1.054 ( -0.716 0.000 2.439) 2.542 1.084 ( -4.745 0.000 0.437) 4.765 1.118 ( -0.602 0.000 1.795) 1.894 1.129 ( -2.872 0.000 2.386) 3.734 1.136 ( -1.835 0.000 -1.357) 2.282 1.262 ( 0.594 0.000 -3.607) 3.656 1.263 ( 2.932 0.000 0.442) 2.965 1.303 ( 1.950 0.000 -0.573) 2.032 1.344 ( -0.623 0.000 2.756) 2.826 1.399 ( 0.775 0.000 1.743) 1.908 1.431 ( -0.785 0.000 0.174) 0.804 1.431 ( 0.847 0.000 2.661) 2.793 1.564 ( -6.136 0.000 -1.060) 6.227 1.582 ( 3.196 0.000 -0.352) 3.215 1.639 ( -1.701 0.000 -1.576) 2.319 1.646 ( -0.774 0.000 1.845) 2.001 1.719 ( 4.740 0.000 3.911) 6.145 1.753 ( 1.363 0.000 0.074) 1.365 1.782 ( 0.976 0.000 -1.296) 1.622 1.813 ( 1.876 0.000 -0.929) 2.094 1.840 ( -1.706 0.000 0.962) 1.959 1.892 ( -3.037 0.000 0.919) 3.173 1.943 ( -0.391 0.000 -0.079) 0.399 1.975 ( -0.556 0.000 -0.913) 1.069 1.980 ( -0.915 0.000 -0.338) 0.976 1.998 ( -0.412 0.000 -0.947) 1.033 2.022 ( 0.068 0.000 -1.305) 1.307 2.108 ( 1.060 0.000 -1.493) 1.831 2.136 ( 0.397 0.000 3.569) 3.591 2.203 ( 1.060 0.000 -1.186) 1.591 2.284 ( 0.518 0.000 -1.555) 1.639 2.402 ( 1.398 0.000 -6.238) 6.393 2.476 ( -2.207 0.000 1.137) 2.483 2.550 ( 0.470 0.000 0.463) 0.660 2.588 ( -0.206 0.000 -1.093) 1.112 2.660 ( 0.955 0.000 -0.227) 0.982 2.881 ( 1.510 0.000 -1.446) 2.091 3.014 ( -0.306 0.000 8.090) 8.096 3.053 ( -1.160 0.000 -4.750) 4.890 3.263 ( 1.075 0.000 0.117) 1.081 3.326 ( -1.107 0.000 -1.933) 2.228 3.358 ( 1.070 0.000 -4.928) 5.043 3.671 ( 0.099 0.000 1.454) 1.457 3.763 ( -1.459 0.000 -0.767) 1.648 3.850 ( -3.021 0.000 5.583) 6.348 4.033 ( 4.327 0.000 1.267) 4.508 4.059 ( 2.368 0.000 -2.007) 3.104 4.152 ( -4.107 0.000 -0.996) 4.226 4.731 ( -1.398 0.000 1.288) 1.901 4.856 ( 2.125 0.000 -2.200) 3.059 5.004 ( 0.646 0.000 1.479) 1.614 5.201 ( 4.812 0.000 -0.359) 4.825 5.314 ( -5.269 0.000 -0.480) 5.291 5.366 ( -0.117 0.000 1.102) 1.108 5.979 ( -0.587 0.000 2.291) 2.365 6.100 ( 0.279 0.000 -0.925) 0.967 8.280 ( -1.728 0.000 0.692) 1.862 8.404 ( 2.807 0.000 -2.820) 3.979 8.561 ( -1.306 0.000 0.971) 1.627 8.604 ( 0.358 0.000 -0.374) 0.517 9.046 ( -0.514 0.000 -0.356) 0.625 9.065 ( -0.078 0.000 -1.035) 1.038 9.354 ( -1.411 0.000 0.438) 1.478 9.379 ( 0.249 0.000 -0.552) 0.606 9.607 ( 2.106 0.000 3.066) 3.720 9.767 ( -0.717 0.000 -0.693) 0.998 10.048 ( -2.377 0.000 0.601) 2.451 10.077 ( 3.474 0.000 -0.579) 3.522 10.213 ( -0.352 0.000 0.932) 0.997 10.343 ( 1.789 0.000 -3.417) 3.857 10.483 ( -1.252 0.000 2.699) 2.975 10.514 ( -0.123 0.000 0.439) 0.456======================= Grid point 53 (21/64) =======================q-point: (-0.33 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.381 ( -8.748 0.000 0.413) 8.757 0.407 ( -7.221 0.000 2.379) 7.603 0.641 ( -13.477 0.000 -2.690) 13.743 0.683 ( 2.064 0.000 -4.477) 4.930 0.759 ( 0.525 0.000 -0.139) 0.543 0.766 ( 3.622 0.000 -1.382) 3.877 0.798 ( -1.033 0.000 -2.232) 2.460 0.860 ( -2.459 0.000 -2.913) 3.812 0.869 ( 4.716 0.000 4.606) 6.593 0.937 ( 3.901 0.000 -0.309) 3.913 0.951 ( 3.582 0.000 4.927) 6.091 0.977 ( -2.008 0.000 -1.135) 2.307 1.064 ( 1.350 0.000 -4.557) 4.753 1.084 ( -1.327 0.000 2.891) 3.181 1.103 ( -0.585 0.000 2.668) 2.731 1.132 ( -0.266 0.000 2.032) 2.049 1.161 ( 3.917 0.000 3.153) 5.028 1.228 ( -0.523 0.000 -2.086) 2.150 1.321 ( 0.693 0.000 -0.228) 0.729 1.327 ( 1.360 0.000 0.419) 1.423 1.371 ( -0.024 0.000 2.791) 2.791 1.407 ( -0.225 0.000 -0.675) 0.712 1.444 ( 0.103 0.000 1.319) 1.323 1.484 ( -2.350 0.000 3.168) 3.944 1.491 ( 2.014 0.000 1.742) 2.663 1.570 ( -1.461 0.000 -2.086) 2.547 1.614 ( -0.243 0.000 0.994) 1.023 1.679 ( 1.909 0.000 1.247) 2.280 1.740 ( -3.073 0.000 -0.226) 3.081 1.762 ( -0.443 0.000 -2.297) 2.339 1.798 ( 0.588 0.000 0.156) 0.608 1.802 ( -0.526 0.000 -1.413) 1.508 1.832 ( -0.351 0.000 1.494) 1.534 1.907 ( 0.247 0.000 1.120) 1.147 1.942 ( -0.760 0.000 -0.096) 0.766 1.945 ( -0.304 0.000 0.234) 0.383 1.964 ( 1.304 0.000 0.437) 1.375 1.980 ( -0.628 0.000 -0.258) 0.679 2.029 ( 1.592 0.000 1.477) 2.172 2.111 ( 1.339 0.000 -1.475) 1.992 2.199 ( 0.712 0.000 2.499) 2.599 2.210 ( 1.601 0.000 0.693) 1.744 2.270 ( -1.501 0.000 -2.050) 2.541 2.321 ( 3.021 0.000 -9.179) 9.664 2.468 ( -2.000 0.000 2.747) 3.398 2.569 ( -0.193 0.000 -1.305) 1.319 2.574 ( -0.435 0.000 2.014) 2.060 2.651 ( -0.941 0.000 -1.559) 1.821 2.902 ( 0.421 0.000 0.778) 0.885 2.935 ( -2.798 0.000 -7.513) 8.017 3.094 ( -0.592 0.000 6.663) 6.689 3.256 ( -2.893 0.000 -5.977) 6.640 3.302 ( -0.730 0.000 -3.324) 3.404 3.306 ( 2.470 0.000 1.223) 2.756 3.630 ( -6.839 0.000 1.786) 7.068 3.727 ( -0.646 0.000 -2.134) 2.230 3.862 ( -2.054 0.000 3.740) 4.267 4.053 ( -0.361 0.000 -1.608) 1.648 4.121 ( 3.879 0.000 -3.029) 4.921 4.154 ( 4.121 0.000 6.732) 7.893 4.715 ( -1.677 0.000 0.772) 1.846 4.861 ( 0.902 0.000 -1.519) 1.767 4.980 ( -4.270 0.000 0.907) 4.365 5.197 ( -2.778 0.000 -5.168) 5.868 5.284 ( 1.701 0.000 3.334) 3.743 5.430 ( 3.935 0.000 2.585) 4.708 6.008 ( 0.499 0.000 2.164) 2.221 6.099 ( 0.897 0.000 -1.074) 1.399 8.248 ( -2.152 0.000 0.439) 2.196 8.426 ( 3.146 0.000 -2.853) 4.247 8.550 ( -1.207 0.000 1.292) 1.768 8.611 ( 0.821 0.000 -0.265) 0.863 9.046 ( 1.184 0.000 -0.745) 1.399 9.061 ( 0.700 0.000 -0.336) 0.776 9.328 ( -1.442 0.000 0.233) 1.460 9.388 ( 1.220 0.000 -0.109) 1.224 9.696 ( 2.396 0.000 3.500) 4.241 9.709 ( -3.460 0.000 -1.948) 3.971 9.988 ( -3.629 0.000 -1.458) 3.911 10.148 ( 3.543 0.000 0.046) 3.544 10.238 ( 1.539 0.000 1.057) 1.868 10.329 ( 1.529 0.000 -3.585) 3.897 10.502 ( -0.554 0.000 3.625) 3.667 10.512 ( -0.544 0.000 0.638) 0.838======================= Grid point 54 (22/64) =======================q-point: (-0.17 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.187 ( -11.252 0.000 -1.520) 11.354 0.268 ( -11.834 0.000 5.468) 13.036 0.398 ( -15.292 0.000 11.114) 18.904 0.673 ( 4.627 0.000 -5.994) 7.572 0.738 ( -0.429 0.000 -0.100) 0.441 0.748 ( -3.365 0.000 -3.209) 4.650 0.782 ( 0.973 0.000 -1.249) 1.583 0.785 ( 0.104 0.000 0.368) 0.382 0.894 ( -1.490 0.000 -0.855) 1.718 0.913 ( -2.513 0.000 -0.766) 2.627 0.970 ( 0.579 0.000 -2.034) 2.115 1.082 ( 3.063 0.000 3.160) 4.401 1.087 ( 4.650 0.000 -3.539) 5.844 1.136 ( 0.218 0.000 5.040) 5.044 1.144 ( 0.746 0.000 -0.683) 1.011 1.173 ( 5.059 0.000 1.025) 5.162 1.177 ( -1.899 0.000 -1.782) 2.604 1.257 ( 2.240 0.000 -0.008) 2.240 1.290 ( -0.550 0.000 1.269) 1.383 1.352 ( -1.517 0.000 1.289) 1.991 1.384 ( -0.828 0.000 -0.770) 1.131 1.386 ( -0.021 0.000 -1.747) 1.747 1.451 ( -1.058 0.000 0.755) 1.299 1.509 ( -0.784 0.000 4.847) 4.910 1.542 ( 1.045 0.000 -0.682) 1.248 1.572 ( 1.874 0.000 -0.513) 1.943 1.610 ( -0.537 0.000 0.948) 1.089 1.660 ( -3.278 0.000 -1.970) 3.824 1.708 ( 0.007 0.000 -0.802) 0.802 1.737 ( 3.695 0.000 -3.248) 4.920 1.799 ( 0.355 0.000 0.956) 1.019 1.814 ( -0.086 0.000 0.020) 0.089 1.861 ( 0.583 0.000 1.663) 1.762 1.865 ( -1.813 0.000 0.142) 1.818 1.951 ( -0.369 0.000 1.077) 1.138 1.959 ( -2.532 0.000 1.301) 2.847 1.986 ( 0.941 0.000 0.110) 0.948 2.008 ( 4.060 0.000 0.852) 4.148 2.106 ( 2.129 0.000 3.638) 4.216 2.108 ( 0.219 0.000 -1.413) 1.430 2.171 ( -2.223 0.000 -4.433) 4.959 2.173 ( -1.866 0.000 -3.319) 3.808 2.267 ( -0.304 0.000 1.479) 1.510 2.316 ( 4.240 0.000 -6.085) 7.417 2.470 ( -1.597 0.000 3.134) 3.518 2.546 ( -0.886 0.000 -1.060) 1.382 2.577 ( -1.005 0.000 1.656) 1.937 2.622 ( 0.673 0.000 -1.308) 1.471 2.829 ( 0.466 0.000 -1.899) 1.955 2.911 ( -1.970 0.000 3.332) 3.871 3.053 ( -8.551 0.000 -8.892) 12.336 3.139 ( -0.794 0.000 2.413) 2.540 3.266 ( -0.756 0.000 -0.611) 0.972 3.358 ( 1.282 0.000 0.484) 1.370 3.501 ( -8.133 0.000 1.741) 8.317 3.671 ( -1.766 0.000 -4.955) 5.261 3.857 ( -2.635 0.000 2.548) 3.665 4.043 ( 1.533 0.000 -2.365) 2.818 4.174 ( 4.253 0.000 -1.290) 4.444 4.363 ( 8.184 0.000 9.060) 12.209 4.693 ( -1.391 0.000 0.552) 1.497 4.851 ( -0.085 0.000 -1.355) 1.357 4.868 ( -7.376 0.000 -4.117) 8.447 5.104 ( -0.008 0.000 -5.474) 5.474 5.347 ( 0.578 0.000 3.697) 3.742 5.556 ( 5.431 0.000 4.297) 6.925 6.037 ( 0.025 0.000 1.529) 1.529 6.105 ( 1.060 0.000 -1.065) 1.503 8.223 ( -1.433 0.000 1.128) 1.824 8.438 ( 2.186 0.000 -3.177) 3.857 8.551 ( -0.906 0.000 1.846) 2.056 8.623 ( 0.683 0.000 -0.249) 0.727 9.056 ( 0.386 0.000 -1.175) 1.236 9.077 ( 0.754 0.000 0.312) 0.816 9.312 ( -1.042 0.000 0.698) 1.254 9.416 ( 1.268 0.000 0.445) 1.344 9.621 ( -2.646 0.000 -2.167) 3.420 9.753 ( 0.592 0.000 1.124) 1.271 9.905 ( -2.815 0.000 0.450) 2.851 10.186 ( 1.507 0.000 -1.202) 1.927 10.278 ( 1.421 0.000 0.491) 1.504 10.325 ( 1.890 0.000 -1.999) 2.751 10.512 ( -0.383 0.000 0.390) 0.547 10.523 ( -1.420 0.000 -2.059) 2.501======================= Grid point 55 (23/64) =======================q-point: ( 0.00 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.320 ( -2.307 6.534 7.980) 10.569 0.344 ( -2.860 8.544 5.406) 10.507 0.569 ( 3.106 8.858 4.889) 10.583 0.633 ( -1.247 -0.172 0.436) 1.332 0.741 ( 1.712 -0.497 -1.610) 2.402 0.761 ( 0.567 -0.122 0.567) 0.811 0.797 ( 6.656 1.951 -0.724) 6.974 0.805 ( 1.364 0.652 1.971) 2.484 0.872 ( -1.947 0.938 0.206) 2.171 0.928 ( -0.671 1.287 0.730) 1.625 0.985 ( 1.193 2.036 -1.342) 2.715 1.041 ( -3.969 -1.781 -0.556) 4.385 1.082 ( 2.984 -0.773 -2.419) 3.918 1.097 ( -0.475 -0.509 -1.555) 1.703 1.147 ( -1.256 -1.242 2.094) 2.740 1.211 ( -1.970 -0.297 -1.678) 2.605 1.239 ( 0.662 -0.301 -0.390) 0.825 1.260 ( -2.082 -0.954 0.716) 2.400 1.268 ( -0.218 0.269 1.089) 1.143 1.311 ( 1.543 1.047 -0.403) 1.907 1.315 ( -1.404 0.604 -0.569) 1.631 1.380 ( 0.423 0.240 -0.067) 0.491 1.410 ( 0.352 -1.254 0.844) 1.553 1.479 ( -0.278 -3.800 -1.360) 4.046 1.512 ( -0.794 -1.584 1.152) 2.114 1.571 ( 0.744 0.086 0.222) 0.781 1.611 ( -1.133 -0.154 -2.799) 3.023 1.629 ( -0.189 1.352 0.653) 1.513 1.653 ( 0.782 -0.707 -1.516) 1.846 1.759 ( 0.951 1.092 -2.203) 2.637 1.783 ( -1.538 1.054 -0.669) 1.981 1.824 ( 1.601 -0.223 -0.833) 1.819 1.853 ( -1.615 -1.040 0.352) 1.952 1.884 ( -0.589 -0.804 0.057) 0.998 1.919 ( 0.538 -2.709 0.340) 2.783 1.950 ( -1.697 -0.512 -1.497) 2.320 1.977 ( -0.816 -0.920 0.787) 1.459 2.035 ( 3.226 -0.533 0.700) 3.344 2.067 ( -1.958 -2.186 0.317) 2.951 2.124 ( -1.219 1.042 -0.762) 1.775 2.168 ( 2.575 1.655 -0.785) 3.160 2.250 ( -1.944 1.491 -0.737) 2.559 2.258 ( -1.502 2.621 -1.529) 3.386 2.354 ( 2.685 3.620 -3.688) 5.824 2.460 ( -0.819 -2.459 1.227) 2.868 2.513 ( -0.626 -0.725 -0.628) 1.145 2.585 ( -0.049 -1.923 2.954) 3.525 2.644 ( 0.964 0.824 0.195) 1.283 2.901 ( 3.836 2.303 2.257) 5.011 2.940 ( -3.723 1.672 -0.902) 4.179 3.040 ( 2.274 -3.622 -0.155) 4.279 3.195 ( 2.923 -2.288 2.238) 4.334 3.271 ( 0.590 0.425 -0.008) 0.727 3.335 ( -0.743 -1.426 -1.207) 2.011 3.583 ( 5.897 6.441 -2.060) 8.973 3.656 ( 0.627 6.123 -7.130) 9.419 3.850 ( -2.313 1.347 1.935) 3.303 4.025 ( 1.560 -1.362 -2.287) 3.086 4.161 ( -7.521 -4.893 6.297) 10.962 4.183 ( 1.342 -3.788 1.740) 4.379 4.731 ( 1.130 2.546 1.103) 2.996 4.761 ( -3.457 0.703 1.860) 3.988 4.977 ( 0.497 2.505 -1.968) 3.224 5.216 ( 3.665 1.621 -7.347) 8.369 5.498 ( 1.378 8.792 -4.227) 9.853 5.625 ( -4.888 3.415 -5.714) 8.259 6.024 ( -1.384 -1.564 0.909) 2.278 6.086 ( 1.034 -2.414 -0.571) 2.687 8.246 ( -0.387 1.991 1.797) 2.710 8.438 ( 1.439 0.095 -3.521) 3.805 8.548 ( -0.702 -1.211 2.308) 2.699 8.617 ( 0.170 -0.990 -0.358) 1.067 9.067 ( 0.986 -0.139 0.990) 1.404 9.105 ( -0.108 1.484 0.090) 1.491 9.258 ( -0.303 -3.852 1.281) 4.071 9.374 ( -0.065 -3.101 -1.530) 3.458 9.675 ( 1.560 4.473 1.047) 4.851 9.771 ( -1.598 2.474 -1.147) 3.161 9.948 ( 2.903 -2.979 5.207) 6.664 10.156 ( -0.832 -2.536 -1.496) 3.060 10.254 ( 0.784 0.115 -0.201) 0.817 10.350 ( -2.772 -0.337 -0.547) 2.846 10.406 ( 1.460 2.124 -1.487) 2.975 10.489 ( -1.277 -0.580 -1.070) 1.764======================= Grid point 56 (24/64) =======================q-point: ( 0.17 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.320 ( -1.422 6.139 5.737) 8.522 0.432 ( 3.011 4.973 5.555) 8.041 0.612 ( 1.000 -4.481 -2.658) 5.305 0.703 ( 1.006 1.023 -0.959) 1.726 0.738 ( 0.873 -0.753 -1.859) 2.187 0.759 ( -0.716 -0.906 -0.289) 1.190 0.815 ( -3.457 -1.978 -1.279) 4.184 0.892 ( 1.705 4.230 3.564) 5.788 0.899 ( -3.080 2.299 -1.743) 4.220 0.912 ( 0.128 1.320 -0.145) 1.334 0.953 ( 2.770 1.427 2.520) 4.007 1.005 ( 0.594 2.726 -0.029) 2.790 1.072 ( -0.790 2.288 -1.879) 3.064 1.084 ( -0.940 0.998 -0.597) 1.495 1.121 ( 0.516 -1.353 0.826) 1.667 1.187 ( -1.980 -2.659 0.516) 3.355 1.216 ( -1.211 -0.794 1.575) 2.140 1.242 ( -2.423 2.749 0.407) 3.687 1.279 ( 1.505 -0.537 -1.064) 1.920 1.288 ( -2.171 1.066 1.475) 2.832 1.300 ( 0.852 -0.465 -1.176) 1.525 1.371 ( -0.346 -0.598 -0.872) 1.112 1.424 ( 1.653 1.055 0.276) 1.980 1.494 ( -1.441 -0.540 -2.817) 3.209 1.526 ( -0.049 1.601 2.047) 2.599 1.552 ( -1.639 -1.699 -1.213) 2.654 1.598 ( 1.947 0.520 -0.571) 2.094 1.624 ( 2.623 -2.183 -0.343) 3.429 1.659 ( 0.149 -0.166 -0.915) 0.942 1.739 ( 0.728 0.451 -1.823) 2.014 1.793 ( 2.377 0.795 0.660) 2.591 1.807 ( -1.297 -0.129 -1.554) 2.028 1.840 ( 0.158 -1.633 0.744) 1.802 1.896 ( 0.828 -2.744 1.168) 3.095 1.921 ( 0.230 0.456 -1.410) 1.500 1.944 ( 0.861 -1.891 0.782) 2.220 1.986 ( 0.035 0.101 2.130) 2.133 2.026 ( -2.180 -2.419 -0.330) 3.273 2.059 ( -0.884 2.067 -1.061) 2.485 2.102 ( 0.641 -0.956 -1.367) 1.787 2.178 ( -2.190 4.134 0.538) 4.709 2.213 ( 0.451 2.163 -0.707) 2.321 2.267 ( 3.246 -0.491 -0.201) 3.289 2.353 ( 1.767 3.354 -2.442) 4.509 2.467 ( -0.676 -3.789 1.953) 4.316 2.508 ( 0.885 -1.742 -0.758) 2.096 2.614 ( -0.200 -1.619 0.985) 1.905 2.668 ( 0.810 0.556 0.681) 1.195 2.871 ( -2.827 -0.683 0.546) 2.959 2.999 ( 3.541 1.180 0.536) 3.771 3.041 ( -2.658 0.576 -0.642) 2.794 3.254 ( 0.774 -4.611 -2.110) 5.129 3.320 ( 4.053 -3.149 -0.405) 5.149 3.323 ( 3.360 0.156 1.379) 3.635 3.542 ( -0.528 3.543 -2.139) 4.172 3.710 ( 6.354 1.629 -3.544) 7.456 3.831 ( -2.211 1.309 1.856) 3.169 4.030 ( 2.178 -0.682 -2.363) 3.285 4.067 ( -8.735 -0.131 4.283) 9.730 4.198 ( -2.845 -4.427 2.461) 5.809 4.735 ( -1.246 0.157 1.153) 1.705 4.787 ( 2.837 2.113 1.975) 4.051 4.962 ( 0.553 2.745 -2.476) 3.738 5.183 ( 3.621 5.195 -7.046) 9.473 5.439 ( -4.562 4.747 2.230) 6.951 5.513 ( -3.978 1.662 -0.919) 4.408 5.995 ( -2.024 -1.738 0.627) 2.740 6.107 ( 1.140 -0.971 -0.303) 1.528 8.269 ( 0.119 1.614 2.190) 2.723 8.416 ( 1.328 0.418 -3.775) 4.023 8.557 ( -1.232 -1.443 1.980) 2.742 8.611 ( -0.264 -0.959 -0.430) 1.084 9.085 ( -0.009 0.275 0.155) 0.315 9.102 ( -0.351 1.082 0.307) 1.178 9.285 ( 1.261 -3.109 1.539) 3.691 9.360 ( 0.272 -3.473 -1.457) 3.776 9.702 ( -3.205 3.006 -2.242) 4.934 9.728 ( 2.051 3.973 1.806) 4.822 10.018 ( -1.194 -3.052 2.874) 4.359 10.119 ( -0.033 -1.028 -2.562) 2.761 10.275 ( 0.247 -0.138 -0.425) 0.510 10.312 ( 0.410 0.368 -1.479) 1.579 10.427 ( 0.456 -0.166 2.313) 2.363 10.467 ( 0.817 -0.650 -1.355) 1.711======================= Grid point 57 (25/64) =======================q-point: ( 0.33 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.424 ( 4.621 -0.457 1.809) 4.984 0.499 ( -0.676 4.059 -0.287) 4.125 0.567 ( -1.150 -1.380 -1.069) 2.090 0.642 ( -0.866 -0.922 -1.265) 1.789 0.711 ( 1.061 0.733 -3.177) 3.429 0.728 ( -0.668 -1.942 -1.419) 2.496 0.779 ( 0.468 -3.171 -1.107) 3.391 0.785 ( -1.873 0.610 -0.417) 2.014 0.921 ( -1.609 1.721 0.897) 2.520 0.950 ( -2.726 2.181 -0.545) 3.533 0.972 ( -0.019 3.106 0.293) 3.120 1.026 ( 1.556 0.476 1.416) 2.157 1.078 ( 1.128 3.744 0.970) 4.029 1.100 ( 0.788 0.527 0.938) 1.334 1.138 ( -2.815 -0.750 1.056) 3.099 1.157 ( -2.816 1.063 3.674) 4.749 1.209 ( -1.237 -0.086 0.585) 1.371 1.226 ( 0.466 -0.638 -1.271) 1.496 1.256 ( -0.277 -0.504 -0.917) 1.082 1.266 ( 0.231 -0.079 -1.227) 1.251 1.328 ( 0.333 -1.038 0.475) 1.189 1.363 ( -0.071 -0.231 0.433) 0.496 1.399 ( -1.101 -3.396 -1.440) 3.849 1.472 ( -0.273 2.362 0.005) 2.378 1.514 ( -0.559 -0.984 -0.976) 1.494 1.580 ( 2.436 1.259 4.579) 5.337 1.627 ( 0.908 -0.051 -0.626) 1.104 1.652 ( 1.741 -0.424 -1.058) 2.081 1.669 ( 1.641 0.441 -0.254) 1.718 1.746 ( 1.159 -0.741 -1.851) 2.306 1.789 ( 0.557 1.775 0.539) 1.937 1.805 ( -0.073 -0.227 -0.700) 0.740 1.871 ( 0.224 0.424 0.715) 0.861 1.905 ( -2.140 -2.069 2.049) 3.614 1.932 ( 1.005 -0.335 0.241) 1.086 1.973 ( -2.233 0.723 -0.414) 2.383 1.977 ( 1.804 -1.561 -0.293) 2.404 2.010 ( 0.692 -2.025 0.246) 2.154 2.058 ( 1.182 2.781 -0.672) 3.096 2.084 ( -0.114 1.037 0.816) 1.324 2.146 ( -1.789 1.083 0.243) 2.105 2.229 ( 1.604 3.182 -1.034) 3.710 2.311 ( 0.571 1.622 -0.157) 1.727 2.371 ( 2.955 -1.125 -1.207) 3.384 2.475 ( -0.602 -2.608 1.235) 2.948 2.532 ( 1.816 -3.208 0.553) 3.727 2.586 ( -1.799 -1.465 -1.676) 2.862 2.672 ( -0.321 1.118 -1.533) 1.924 2.871 ( -0.326 -2.377 3.561) 4.294 2.916 ( -3.296 -1.155 -2.781) 4.464 3.086 ( 3.017 1.016 -0.288) 3.196 3.246 ( 0.468 -1.414 -0.737) 1.662 3.351 ( 2.451 -1.051 -1.386) 3.005 3.398 ( 1.697 2.184 -1.400) 3.100 3.590 ( 5.599 -1.155 -0.396) 5.731 3.756 ( 2.836 -3.901 -2.004) 5.223 3.817 ( -2.920 0.274 3.789) 4.791 3.964 ( -6.770 -0.348 2.586) 7.255 4.046 ( 2.522 -0.539 -2.437) 3.548 4.142 ( -5.091 -6.208 1.086) 8.101 4.737 ( -0.656 0.947 1.599) 1.970 4.874 ( 3.550 -0.589 2.379) 4.314 4.935 ( 0.406 3.152 -3.281) 4.568 5.201 ( 4.897 3.585 -3.542) 7.027 5.395 ( -4.744 1.479 3.494) 6.074 5.426 ( -4.053 1.482 -0.618) 4.359 5.982 ( -0.564 0.122 1.180) 1.314 6.111 ( -0.083 -0.004 -0.491) 0.498 8.293 ( -0.403 1.023 1.706) 2.030 8.404 ( 2.131 0.648 -3.323) 4.000 8.550 ( -1.771 -1.709 1.492) 2.878 8.602 ( -0.158 -0.749 -0.381) 0.855 9.081 ( -0.470 1.191 -0.035) 1.281 9.097 ( -0.357 1.710 -0.138) 1.752 9.323 ( 0.835 -2.445 0.795) 2.703 9.352 ( 0.173 -2.925 -0.134) 2.933 9.631 ( -1.747 3.534 -0.683) 4.001 9.781 ( 1.724 2.996 0.668) 3.521 9.997 ( -1.629 -3.749 0.014) 4.088 10.103 ( 0.254 0.769 -0.967) 1.261 10.237 ( -2.117 0.431 0.037) 2.161 10.332 ( 2.177 -0.743 -1.805) 2.924 10.460 ( -0.370 -0.671 2.278) 2.403 10.482 ( 1.361 -1.299 -0.054) 1.882======================= Grid point 58 (26/64) =======================q-point: (-0.50 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.483 ( -2.590 0.622 3.166) 4.137 0.524 ( 5.984 -0.206 3.671) 7.023 0.581 ( -4.994 3.718 -1.358) 6.372 0.642 ( 6.219 -3.107 -0.358) 6.961 0.716 ( 2.852 -0.964 -1.481) 3.355 0.725 ( 1.514 -2.143 -1.154) 2.867 0.798 ( 1.625 0.819 3.031) 3.535 0.837 ( 4.242 -4.176 0.506) 5.974 0.870 ( -3.710 0.494 -0.344) 3.759 0.901 ( 0.398 3.339 -0.578) 3.412 0.958 ( -2.284 4.376 -1.548) 5.173 1.031 ( -1.237 -0.770 0.478) 1.533 1.073 ( -3.912 -0.599 0.623) 4.006 1.100 ( -0.709 2.388 -1.204) 2.766 1.112 ( -1.473 0.015 -1.025) 1.794 1.127 ( -3.162 0.072 1.685) 3.584 1.151 ( -0.243 1.122 1.111) 1.597 1.243 ( 0.347 -1.119 -1.283) 1.737 1.270 ( 3.962 -0.898 -0.676) 4.118 1.280 ( 0.048 -1.851 -0.462) 1.908 1.332 ( -0.342 -0.740 2.460) 2.592 1.377 ( 0.264 -1.083 1.515) 1.881 1.418 ( 2.558 -2.032 0.709) 3.343 1.458 ( -0.694 0.179 -0.118) 0.726 1.518 ( 0.688 1.409 1.220) 1.986 1.600 ( -1.975 -1.183 -0.096) 2.304 1.632 ( -1.184 0.729 0.229) 1.409 1.678 ( -0.576 2.121 0.390) 2.232 1.723 ( 1.126 -0.772 1.153) 1.787 1.746 ( 3.394 -0.880 -0.549) 3.548 1.806 ( 0.347 0.394 -0.446) 0.689 1.820 ( 0.272 2.629 0.040) 2.643 1.848 ( 0.325 0.724 0.641) 1.020 1.892 ( -2.769 -0.949 2.043) 3.569 1.925 ( -0.509 -0.379 -1.790) 1.900 1.941 ( 0.692 -0.519 -0.295) 0.914 1.996 ( -0.156 -0.187 -0.251) 0.350 2.025 ( 0.064 -0.139 0.447) 0.473 2.054 ( 0.056 2.552 -0.654) 2.635 2.110 ( 0.176 0.323 -1.197) 1.253 2.137 ( -0.281 1.954 3.115) 3.688 2.230 ( 0.334 1.649 -1.666) 2.368 2.292 ( -0.156 0.869 -1.848) 2.048 2.396 ( 0.889 -1.598 -2.444) 3.052 2.468 ( -2.070 -1.139 1.313) 2.703 2.541 ( -0.271 -1.101 0.175) 1.147 2.573 ( 0.923 -0.953 -0.471) 1.408 2.649 ( 0.444 -0.359 -0.972) 1.127 2.869 ( 1.010 -1.297 -0.438) 1.701 2.949 ( 1.598 -2.780 4.830) 5.798 3.103 ( -0.398 2.160 -0.997) 2.412 3.254 ( 0.947 -0.690 0.156) 1.182 3.355 ( 0.997 -0.838 -3.617) 3.845 3.373 ( -1.136 3.481 -3.277) 4.914 3.636 ( -1.060 -2.372 -0.237) 2.609 3.757 ( 0.452 -1.701 -2.658) 3.188 3.852 ( 0.559 -2.829 4.975) 5.751 3.900 ( -3.130 -5.331 2.812) 6.792 4.051 ( 0.681 -4.510 -1.978) 4.971 4.082 ( -0.029 -2.573 -1.335) 2.899 4.741 ( -1.294 1.512 1.819) 2.696 4.885 ( -1.276 -0.941 -1.642) 2.283 4.982 ( 3.925 1.767 1.798) 4.665 5.223 ( 0.758 -1.163 -3.997) 4.231 5.346 ( -2.135 3.707 1.982) 4.715 5.406 ( 1.107 2.547 1.694) 3.254 5.996 ( -0.453 1.621 2.095) 2.687 6.102 ( 0.239 0.106 -0.801) 0.843 8.289 ( -1.506 0.967 0.715) 1.927 8.413 ( 2.812 0.746 -2.954) 4.146 8.536 ( -1.547 -2.030 1.397) 2.910 8.596 ( 0.195 -0.801 -0.521) 0.975 9.069 ( -0.516 2.137 -0.221) 2.210 9.087 ( 0.051 2.007 -0.839) 2.176 9.334 ( -0.596 -2.027 0.377) 2.146 9.350 ( -0.107 -2.347 -0.269) 2.365 9.644 ( 1.637 3.101 2.684) 4.416 9.792 ( -0.682 2.533 -0.855) 2.759 9.993 ( -0.256 -3.704 1.366) 3.956 10.099 ( 1.217 0.472 -1.172) 1.754 10.221 ( -0.154 0.683 0.739) 1.018 10.336 ( 1.384 -0.785 -2.785) 3.207 10.467 ( -1.508 -1.227 2.000) 2.789 10.498 ( 0.138 -1.378 0.319) 1.422======================= Grid point 59 (27/64) =======================q-point: (-0.33 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.396 ( -9.280 1.321 1.804) 9.546 0.453 ( -7.940 6.012 -0.378) 9.967 0.652 ( 3.951 -2.948 -2.343) 5.458 0.693 ( -1.853 0.483 -0.615) 2.011 0.713 ( -1.529 -3.344 -0.017) 3.677 0.764 ( 1.672 -0.390 -1.183) 2.085 0.802 ( -0.181 3.952 -1.181) 4.128 0.860 ( -0.304 0.106 -0.184) 0.370 0.904 ( -1.824 0.831 -0.848) 2.176 0.930 ( 4.030 -0.909 4.125) 5.838 0.959 ( 2.811 1.925 -1.592) 3.760 0.979 ( 0.906 -0.062 0.082) 0.912 1.037 ( 1.393 -2.054 -1.612) 2.959 1.080 ( 1.407 -0.564 1.347) 2.028 1.082 ( -0.796 -0.905 1.076) 1.616 1.143 ( -0.584 1.246 1.074) 1.746 1.178 ( 1.840 1.106 1.470) 2.602 1.225 ( -0.819 -0.182 -1.531) 1.746 1.259 ( -0.235 -2.652 -0.007) 2.662 1.330 ( 0.745 -1.621 1.122) 2.107 1.361 ( 0.930 -0.887 0.796) 1.512 1.395 ( -0.459 -1.357 0.580) 1.545 1.413 ( -2.163 0.259 -1.091) 2.436 1.494 ( 3.450 -0.515 1.434) 3.772 1.553 ( -0.220 1.228 1.270) 1.780 1.580 ( -0.624 -0.030 1.288) 1.431 1.594 ( -1.351 1.788 -0.327) 2.265 1.676 ( -0.827 -1.475 -0.260) 1.711 1.695 ( -1.537 -0.285 0.615) 1.680 1.778 ( -0.093 0.201 -3.192) 3.199 1.795 ( -0.306 1.059 -0.025) 1.102 1.817 ( 0.172 0.695 0.120) 0.726 1.862 ( -0.874 0.134 0.799) 1.192 1.892 ( -0.901 -2.140 0.358) 2.350 1.923 ( 2.690 0.126 1.953) 3.326 1.973 ( -2.560 -0.353 0.137) 2.587 1.975 ( 1.568 0.303 -0.911) 1.839 2.005 ( -1.793 2.292 0.143) 2.914 2.054 ( 1.554 2.280 1.285) 3.044 2.122 ( 2.517 0.364 -0.083) 2.545 2.173 ( 0.040 -0.860 2.212) 2.374 2.215 ( -0.209 1.424 -0.868) 1.680 2.288 ( 2.028 0.501 -1.800) 2.757 2.345 ( -0.850 0.869 -4.004) 4.184 2.454 ( -1.770 -0.399 2.587) 3.160 2.551 ( -0.616 -2.112 1.643) 2.746 2.572 ( 0.230 0.886 -1.006) 1.360 2.636 ( -0.488 -1.433 -1.624) 2.220 2.895 ( 0.143 0.844 0.853) 1.208 2.995 ( 0.787 2.850 -3.893) 4.889 3.089 ( -1.444 -0.090 5.072) 5.274 3.277 ( -1.966 -0.515 -5.017) 5.413 3.282 ( 0.116 -0.065 -1.791) 1.796 3.322 ( 0.321 0.502 -1.793) 1.890 3.561 ( -5.839 -3.672 0.496) 6.916 3.742 ( 1.037 0.735 -1.990) 2.361 3.861 ( -2.308 -0.075 3.133) 3.892 3.966 ( 2.944 -6.868 3.012) 8.056 4.063 ( 3.609 -4.884 -1.796) 6.333 4.092 ( 1.708 -2.772 0.005) 3.256 4.733 ( -1.584 1.736 1.283) 2.677 4.843 ( -2.712 -0.676 0.754) 2.895 5.038 ( -0.277 2.395 0.484) 2.459 5.178 ( 2.482 -3.072 -4.793) 6.211 5.377 ( 2.752 7.059 1.884) 7.807 5.491 ( 4.986 4.164 2.409) 6.928 6.007 ( -0.848 0.325 1.916) 2.120 6.103 ( 0.634 0.104 -0.779) 1.010 8.264 ( -1.813 1.526 0.490) 2.420 8.431 ( 2.950 0.402 -2.976) 4.210 8.530 ( -1.138 -1.691 1.768) 2.699 8.600 ( 0.845 -1.069 -0.401) 1.421 9.060 ( 0.155 1.424 -0.592) 1.550 9.087 ( 0.606 2.265 -0.098) 2.346 9.302 ( -2.247 -2.435 -0.047) 3.313 9.363 ( 1.084 -2.194 0.199) 2.455 9.723 ( 2.299 2.358 3.162) 4.565 9.740 ( -2.731 3.039 -1.909) 4.510 9.968 ( -3.180 -1.757 -0.680) 3.696 10.136 ( 2.943 -1.561 -0.251) 3.341 10.242 ( 1.265 0.518 0.318) 1.404 10.331 ( 2.414 -0.028 -2.545) 3.508 10.455 ( -2.604 -2.877 2.252) 4.486 10.505 ( 0.155 -1.004 0.912) 1.365======================= Grid point 60 (28/64) =======================q-point: (-0.17 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.278 ( -2.435 10.046 2.281) 10.586 0.325 ( -7.055 6.216 4.772) 10.544 0.611 ( -8.244 10.587 2.885) 13.725 0.660 ( 0.171 -1.174 -2.823) 3.062 0.699 ( 4.306 -0.913 -2.152) 4.900 0.738 ( -1.126 -0.440 -1.773) 2.145 0.772 ( -2.011 -0.205 -0.135) 2.026 0.801 ( 0.637 0.605 -1.200) 1.487 0.915 ( -2.374 1.725 -0.572) 2.990 0.930 ( -1.367 -0.093 0.590) 1.492 0.987 ( 2.205 0.880 -2.022) 3.119 1.042 ( 1.321 -2.491 1.807) 3.349 1.080 ( 2.762 -0.559 -2.008) 3.460 1.105 ( 1.350 -0.849 1.930) 2.504 1.148 ( -1.863 -1.563 -1.364) 2.788 1.173 ( 4.609 -0.327 1.261) 4.790 1.186 ( 2.018 1.556 1.909) 3.183 1.237 ( 2.355 -0.966 0.725) 2.647 1.288 ( 0.834 -0.747 1.310) 1.724 1.316 ( -2.146 -1.947 1.278) 3.167 1.345 ( -1.984 -1.917 -2.860) 3.973 1.381 ( 0.030 -0.346 0.081) 0.356 1.398 ( -0.740 -1.672 0.488) 1.892 1.516 ( -1.384 -1.322 0.355) 1.947 1.558 ( 0.642 0.547 0.905) 1.237 1.583 ( -4.552 0.792 -1.281) 4.795 1.605 ( 2.480 -2.102 0.018) 3.251 1.613 ( -1.004 0.006 -0.184) 1.021 1.690 ( -0.406 -0.698 -0.966) 1.259 1.763 ( 1.776 1.990 -2.252) 3.490 1.792 ( 0.403 0.449 0.173) 0.628 1.811 ( -0.743 1.054 0.389) 1.347 1.872 ( 0.105 -0.229 0.513) 0.572 1.894 ( -1.161 -0.878 1.140) 1.849 1.921 ( -1.330 -2.215 -0.601) 2.653 1.965 ( 0.047 -0.290 2.490) 2.507 1.984 ( 1.022 -0.049 -0.802) 1.300 2.000 ( 0.226 -0.648 -0.468) 0.830 2.101 ( 0.298 -0.439 -0.548) 0.763 2.128 ( -3.429 0.512 0.762) 3.550 2.166 ( 1.898 -0.095 -1.549) 2.452 2.250 ( 2.688 2.407 0.671) 3.670 2.287 ( -1.687 1.296 0.812) 2.277 2.332 ( 4.124 0.425 -3.551) 5.459 2.465 ( -1.037 0.101 2.104) 2.348 2.543 ( -1.536 -1.202 -0.410) 1.993 2.559 ( -0.498 -0.403 1.362) 1.505 2.628 ( 1.137 -0.105 -0.312) 1.184 2.860 ( 0.222 2.713 -3.485) 4.422 2.982 ( 0.019 1.160 0.536) 1.277 3.098 ( -4.542 2.232 -5.551) 7.512 3.137 ( -0.833 0.013 2.255) 2.404 3.272 ( -0.239 0.431 -0.815) 0.952 3.340 ( 0.794 -1.549 0.227) 1.756 3.509 ( 1.300 4.078 -0.570) 4.318 3.728 ( 0.433 3.097 -3.790) 4.914 3.862 ( -1.816 0.496 2.631) 3.235 4.019 ( 1.732 -2.194 -1.065) 2.991 4.124 ( 3.782 -4.510 -0.246) 5.891 4.151 ( -0.068 -7.568 6.026) 9.674 4.720 ( -0.867 2.215 0.726) 2.487 4.804 ( -3.921 0.106 2.549) 4.678 5.004 ( -1.007 2.105 -1.952) 3.043 5.203 ( 5.186 -0.992 -4.753) 7.104 5.466 ( 5.687 7.779 -1.862) 9.814 5.636 ( 8.088 5.383 0.204) 9.718 6.018 ( 0.127 -1.346 1.053) 1.713 6.096 ( -0.447 -1.019 -0.748) 1.340 8.244 ( -1.238 1.953 1.047) 2.539 8.442 ( 2.165 0.193 -2.990) 3.697 8.537 ( -0.810 -1.190 2.033) 2.491 8.612 ( 0.757 -1.010 -0.248) 1.287 9.058 ( -0.086 0.467 -0.279) 0.551 9.100 ( 0.410 1.845 0.302) 1.914 9.266 ( -1.809 -3.612 0.548) 4.077 9.383 ( 0.620 -2.765 0.064) 2.834 9.673 ( -1.468 4.401 -1.604) 4.909 9.780 ( 0.796 2.373 1.136) 2.749 9.897 ( -2.600 -0.703 0.396) 2.722 10.168 ( 0.928 -2.429 -0.537) 2.655 10.252 ( 0.468 -0.501 -0.895) 1.128 10.372 ( 3.045 2.571 -0.867) 4.079 10.424 ( -2.860 -4.915 0.491) 5.708 10.516 ( -0.486 -0.882 0.269) 1.043======================= Grid point 61 (29/64) =======================q-point: ( 0.00 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.447 ( -2.505 4.643 3.567) 6.368 0.480 ( 0.931 4.393 2.380) 5.082 0.600 ( 1.890 3.110 -0.705) 3.707 0.669 ( -0.816 -2.500 0.261) 2.642 0.750 ( 1.824 -2.576 2.117) 3.800 0.767 ( 0.326 -0.153 -0.374) 0.519 0.812 ( 2.621 3.640 -0.002) 4.486 0.870 ( 2.364 1.971 2.065) 3.706 0.911 ( -1.687 0.837 -0.494) 1.947 0.951 ( -1.222 1.737 2.019) 2.930 0.995 ( -1.510 0.191 0.431) 1.582 1.034 ( 0.795 0.810 1.718) 2.059 1.077 ( 0.458 0.352 -3.382) 3.431 1.095 ( 1.376 -0.269 -3.437) 3.712 1.145 ( -0.328 0.153 0.017) 0.362 1.194 ( -1.517 1.198 -1.171) 2.260 1.235 ( 0.813 -1.519 -0.562) 1.812 1.242 ( 1.812 -0.345 0.382) 1.884 1.260 ( -1.335 -0.276 1.157) 1.788 1.304 ( 2.153 -2.052 1.098) 3.171 1.326 ( 0.632 0.121 0.227) 0.683 1.370 ( -0.518 -1.323 -0.143) 1.428 1.400 ( -1.443 -0.370 1.315) 1.987 1.420 ( 1.278 -1.379 -0.102) 1.883 1.468 ( -0.191 -0.869 1.297) 1.573 1.569 ( 0.053 -1.383 -0.599) 1.508 1.590 ( 0.242 1.077 -0.477) 1.203 1.650 ( -1.086 1.055 -2.213) 2.682 1.719 ( 0.005 5.600 0.488) 5.621 1.787 ( 0.820 1.540 -0.471) 1.807 1.796 ( -1.550 -0.060 -0.525) 1.638 1.822 ( -1.220 -2.216 -0.790) 2.650 1.826 ( 0.640 -1.397 -0.151) 1.544 1.860 ( -1.292 0.586 -1.025) 1.750 1.869 ( -0.378 -1.461 -0.708) 1.667 1.926 ( 0.505 -1.326 -0.869) 1.664 1.971 ( -0.560 -0.526 0.229) 0.802 2.010 ( -2.688 -2.731 0.017) 3.832 2.018 ( 1.972 0.209 -0.383) 2.019 2.119 ( -0.926 -1.716 -1.517) 2.471 2.164 ( 1.473 -1.751 0.941) 2.474 2.191 ( -1.112 -3.829 0.624) 4.036 2.363 ( 0.140 4.249 0.270) 4.260 2.425 ( -1.949 0.669 -0.624) 2.153 2.448 ( 2.888 3.486 0.004) 4.527 2.483 ( -0.961 -2.134 0.785) 2.469 2.557 ( -0.283 -0.545 0.662) 0.903 2.636 ( 0.749 -1.609 0.520) 1.849 2.935 ( 3.622 0.820 -0.533) 3.751 2.964 ( 0.904 -0.172 0.082) 0.924 3.019 ( -1.341 2.257 -1.959) 3.275 3.149 ( -2.057 -2.549 0.154) 3.279 3.276 ( 0.334 0.243 -0.578) 0.710 3.305 ( 0.438 -1.214 -0.584) 1.417 3.718 ( 2.817 5.558 -3.831) 7.315 3.742 ( 0.377 2.884 -4.795) 5.608 3.890 ( -1.476 2.420 1.864) 3.392 3.991 ( 1.637 -1.783 -1.362) 2.778 4.094 ( -3.113 -2.297 5.481) 6.709 4.102 ( 0.547 -3.375 3.490) 4.886 4.763 ( -0.782 1.115 0.248) 1.384 4.788 ( -0.252 0.823 0.486) 0.988 5.035 ( -0.704 3.398 0.801) 3.561 5.179 ( 0.861 -3.055 0.088) 3.175 5.618 ( 1.241 3.820 -2.319) 4.638 5.687 ( -1.753 1.560 -6.599) 7.003 5.987 ( -1.302 -1.583 0.460) 2.100 6.023 ( 1.288 -3.176 -0.375) 3.448 8.303 ( -0.319 3.261 1.302) 3.525 8.428 ( 0.841 -1.512 -1.888) 2.560 8.531 ( -0.591 -0.014 1.257) 1.389 8.588 ( 0.140 -1.741 -0.425) 1.798 9.076 ( 0.254 0.920 0.920) 1.326 9.138 ( 0.570 0.686 -0.808) 1.204 9.187 ( -0.906 -1.520 1.893) 2.592 9.300 ( -0.351 -3.779 -1.181) 3.974 9.770 ( 1.572 3.924 0.284) 4.236 9.826 ( -0.858 2.138 -1.117) 2.560 9.920 ( 0.817 0.517 4.187) 4.297 10.082 ( -0.624 -4.374 -0.125) 4.420 10.266 ( 1.219 0.970 -1.027) 1.866 10.328 ( -0.619 -1.579 -0.508) 1.770 10.432 ( 0.245 0.847 -1.005) 1.337 10.472 ( -1.139 -0.998 -0.871) 1.747======================= Grid point 62 (30/64) =======================q-point: ( 0.17 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.456 ( -0.046 5.372 1.507) 5.580 0.551 ( 0.705 5.623 2.914) 6.372 0.600 ( -1.231 3.290 1.217) 3.718 0.668 ( 2.120 -3.569 -1.023) 4.275 0.720 ( -0.321 0.570 -3.394) 3.457 0.762 ( -1.956 -1.468 -0.632) 2.526 0.808 ( -6.383 1.836 -2.948) 7.267 0.911 ( -0.976 -0.409 3.446) 3.605 0.924 ( -5.483 -1.423 -1.224) 5.795 0.944 ( 3.462 1.983 1.978) 4.453 0.980 ( 0.926 0.642 2.520) 2.760 1.054 ( 1.560 1.098 0.153) 1.914 1.071 ( 0.518 -0.989 1.016) 1.510 1.087 ( 2.653 -0.367 -2.334) 3.552 1.134 ( -0.143 -1.234 -1.337) 1.825 1.181 ( 0.982 4.479 -0.008) 4.586 1.231 ( -1.931 2.174 1.370) 3.214 1.251 ( -0.099 -2.296 -1.509) 2.749 1.255 ( -1.066 -0.810 0.204) 1.354 1.291 ( -3.326 -0.847 0.880) 3.543 1.325 ( -2.405 0.353 0.533) 2.489 1.352 ( 0.202 -1.334 -0.665) 1.504 1.404 ( 0.686 -1.993 -1.015) 2.339 1.460 ( 3.457 -2.039 -1.042) 4.146 1.531 ( 0.209 1.161 1.551) 1.948 1.553 ( -0.514 0.054 -0.342) 0.620 1.596 ( 3.531 1.001 -0.292) 3.682 1.644 ( 2.533 3.590 -0.152) 4.396 1.708 ( -1.833 3.330 0.088) 3.802 1.769 ( -0.119 2.004 -1.838) 2.722 1.786 ( -0.756 -2.180 -0.572) 2.377 1.807 ( -1.067 -1.272 -0.892) 1.885 1.819 ( 2.321 1.059 1.020) 2.748 1.845 ( 0.893 -0.733 0.112) 1.161 1.888 ( 1.450 -2.321 -0.180) 2.743 1.922 ( 1.082 -0.911 -1.208) 1.860 1.965 ( -1.912 -1.886 1.233) 2.955 1.986 ( 0.954 -1.598 1.664) 2.496 2.064 ( 2.610 -0.629 -1.391) 3.023 2.091 ( 0.963 -0.271 -1.902) 2.149 2.170 ( -0.892 -1.927 0.559) 2.196 2.205 ( 0.719 -2.993 0.509) 3.120 2.370 ( 0.176 5.983 0.581) 6.014 2.395 ( -1.584 -0.510 1.693) 2.374 2.441 ( -1.770 1.554 -1.417) 2.749 2.482 ( 0.167 0.806 -0.712) 1.089 2.576 ( 0.084 -1.900 0.978) 2.139 2.651 ( 0.573 -2.176 0.299) 2.270 2.877 ( -3.606 1.557 -2.272) 4.537 3.022 ( 2.169 -1.623 -1.269) 2.992 3.040 ( -1.758 1.045 -1.386) 2.470 3.145 ( 5.948 -3.920 1.002) 7.194 3.289 ( 1.691 -0.357 0.421) 1.779 3.316 ( 1.903 -1.166 -0.183) 2.239 3.635 ( -2.932 4.702 -3.196) 6.397 3.729 ( 0.167 0.225 -2.855) 2.869 3.875 ( -2.399 2.921 1.734) 4.159 4.006 ( 1.598 -1.875 -1.578) 2.926 4.059 ( -6.701 -0.409 4.558) 8.115 4.108 ( -4.149 -3.603 2.804) 6.169 4.751 ( -0.072 1.424 0.272) 1.451 4.812 ( 1.360 -0.377 0.859) 1.652 5.030 ( -0.820 4.169 0.427) 4.270 5.189 ( 0.392 -2.585 -0.114) 2.617 5.533 ( -5.757 2.286 -2.334) 6.620 5.570 ( -3.884 2.799 -2.955) 5.626 5.975 ( 0.672 0.456 -0.068) 0.815 6.072 ( 2.728 -2.388 -0.197) 3.631 8.316 ( -0.243 2.714 1.510) 3.115 8.417 ( 0.818 -0.821 -2.284) 2.561 8.531 ( -1.209 -0.559 1.463) 1.979 8.582 ( -0.138 -1.761 -0.390) 1.809 9.099 ( 0.895 1.304 0.814) 1.779 9.139 ( 0.532 1.899 -0.832) 2.140 9.217 ( 1.445 -2.806 2.151) 3.819 9.283 ( 0.191 -3.665 -1.331) 3.904 9.771 ( -2.512 3.368 -1.518) 4.468 9.818 ( 1.956 3.706 0.445) 4.214 9.965 ( -1.742 -1.360 2.512) 3.345 10.078 ( 1.014 -3.080 -0.384) 3.265 10.276 ( 0.457 0.177 -0.680) 0.838 10.303 ( -0.705 -0.982 -1.339) 1.804 10.427 ( 0.019 0.198 1.169) 1.185 10.451 ( 0.237 -0.843 -1.047) 1.364======================= Grid point 63 (31/64) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.456 ( -1.015 3.054 -0.073) 3.219 0.542 ( -2.329 1.067 1.450) 2.943 0.611 ( -1.328 3.398 -2.480) 4.411 0.645 ( 0.348 0.777 -1.342) 1.589 0.679 ( 0.109 -1.167 -0.808) 1.423 0.726 ( 2.580 0.238 -1.041) 2.792 0.748 ( -0.621 0.447 -0.999) 1.259 0.809 ( -1.810 0.368 -1.342) 2.283 0.942 ( -0.862 0.573 3.153) 3.319 0.963 ( -1.037 0.856 -0.706) 1.518 1.006 ( -1.837 -0.774 0.352) 2.025 1.055 ( -1.853 2.198 1.040) 3.058 1.095 ( 0.094 -1.283 0.510) 1.384 1.124 ( 1.756 0.409 -0.167) 1.811 1.148 ( 1.930 -2.040 2.259) 3.604 1.179 ( -4.968 -1.812 1.107) 5.403 1.189 ( 0.294 4.025 -0.038) 4.036 1.216 ( -1.240 -0.810 -2.057) 2.535 1.236 ( -1.438 -2.092 -1.110) 2.770 1.251 ( -0.326 -0.529 -1.090) 1.255 1.291 ( -0.783 -1.503 0.152) 1.702 1.346 ( 0.118 -1.403 -0.562) 1.516 1.366 ( -0.177 1.801 -2.593) 3.162 1.504 ( 2.776 -1.583 -2.760) 4.222 1.521 ( -1.793 2.322 1.982) 3.541 1.598 ( 1.674 0.036 2.742) 3.213 1.642 ( 0.699 1.486 0.707) 1.788 1.668 ( 1.620 3.469 -2.576) 4.614 1.711 ( 1.613 2.399 0.586) 2.949 1.740 ( -0.998 0.427 -0.808) 1.353 1.776 ( -0.188 -1.357 0.729) 1.551 1.809 ( 0.787 -2.264 0.518) 2.453 1.849 ( -0.054 -1.315 1.031) 1.672 1.875 ( 1.233 -1.088 0.170) 1.653 1.930 ( 3.030 -0.713 0.135) 3.116 1.941 ( 0.134 0.001 1.927) 1.932 1.980 ( 1.138 0.580 1.050) 1.653 2.010 ( 0.416 0.871 -0.424) 1.054 2.085 ( 0.521 0.123 -1.949) 2.021 2.125 ( 5.272 0.943 0.782) 5.413 2.149 ( -2.368 0.294 0.128) 2.390 2.226 ( 1.078 -3.525 0.414) 3.709 2.365 ( -2.194 -0.175 -2.543) 3.363 2.385 ( -0.805 4.063 0.033) 4.142 2.406 ( -0.913 -2.020 3.339) 4.008 2.486 ( 1.366 -0.087 0.331) 1.408 2.552 ( -2.077 -1.748 -1.166) 2.955 2.664 ( 0.275 -2.413 -0.132) 2.432 2.838 ( -0.060 -0.315 2.060) 2.085 2.893 ( -4.028 -1.185 -3.639) 5.556 3.113 ( 3.452 1.950 0.006) 3.965 3.220 ( 1.781 -1.033 0.024) 2.059 3.318 ( 1.314 -1.136 -0.628) 1.848 3.398 ( 5.115 -3.866 -0.424) 6.425 3.589 ( 1.683 1.768 -1.885) 3.085 3.675 ( -2.655 -2.484 -2.105) 4.202 3.842 ( -3.917 1.990 2.272) 4.947 3.960 ( -6.880 -1.689 2.546) 7.528 4.011 ( -2.411 -1.401 -0.246) 2.799 4.052 ( -1.380 -2.101 -0.623) 2.590 4.767 ( 0.685 1.749 0.788) 2.037 4.844 ( 0.873 -1.688 0.648) 2.008 5.020 ( 0.021 4.406 -0.295) 4.416 5.195 ( 0.504 -3.084 -0.625) 3.186 5.435 ( -3.760 1.398 0.785) 4.087 5.460 ( -4.778 1.178 -0.677) 4.967 6.006 ( 2.061 2.255 0.426) 3.084 6.100 ( 0.774 -1.200 -0.342) 1.469 8.324 ( -0.622 1.994 1.130) 2.375 8.410 ( 1.516 -0.660 -2.241) 2.785 8.520 ( -1.771 -0.514 1.274) 2.242 8.576 ( -0.058 -1.676 -0.350) 1.713 9.122 ( 0.860 2.659 0.140) 2.798 9.142 ( 0.438 2.394 -0.305) 2.453 9.265 ( 0.946 -2.838 0.261) 3.002 9.281 ( 0.876 -3.701 0.504) 3.836 9.713 ( -1.723 4.178 -0.352) 4.533 9.851 ( 1.530 1.588 -0.246) 2.219 9.933 ( -2.566 -0.504 0.558) 2.674 10.090 ( 0.339 -2.251 -0.531) 2.337 10.248 ( -1.123 0.745 -0.543) 1.453 10.304 ( 1.011 -1.789 -0.560) 2.130 10.447 ( 0.018 -0.403 0.824) 0.917 10.457 ( 0.845 -0.930 0.320) 1.296======================= Grid point 64 (32/64) =======================q-point: (-0.50 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.466 ( 2.627 -0.042 2.391) 3.553 0.533 ( -1.963 -1.350 0.693) 2.481 0.629 ( 4.473 1.818 0.549) 4.860 0.654 ( 0.268 2.611 1.219) 2.894 0.697 ( 1.820 -0.020 -1.742) 2.519 0.717 ( -0.917 -1.077 -1.464) 2.036 0.781 ( 4.956 1.001 0.158) 5.058 0.811 ( 1.323 -0.231 0.574) 1.460 0.887 ( -2.265 1.355 -1.814) 3.203 0.944 ( -2.143 0.795 0.762) 2.409 0.980 ( -2.378 -1.651 1.580) 3.298 1.036 ( -2.221 1.347 -0.389) 2.627 1.082 ( -3.678 -2.050 -2.577) 4.937 1.085 ( -0.598 0.287 -0.798) 1.038 1.122 ( -2.078 0.761 -0.977) 2.419 1.173 ( 0.211 1.205 0.943) 1.544 1.177 ( 1.141 2.355 -0.193) 2.624 1.219 ( 1.206 -1.207 -0.639) 1.822 1.230 ( 1.222 -1.546 -0.769) 2.116 1.258 ( 1.294 -0.166 0.651) 1.458 1.295 ( 0.624 -3.095 0.675) 3.228 1.345 ( 0.345 -2.495 -0.051) 2.519 1.392 ( 3.710 1.978 0.218) 4.210 1.486 ( 0.355 0.550 -2.843) 2.918 1.537 ( -1.125 0.981 2.909) 3.270 1.614 ( -1.346 -0.579 1.267) 1.937 1.640 ( -0.044 2.759 0.320) 2.778 1.703 ( 1.119 0.077 -0.556) 1.252 1.723 ( -0.300 1.972 0.870) 2.176 1.744 ( 1.379 0.741 0.226) 1.582 1.788 ( 0.136 -1.852 1.106) 2.161 1.833 ( 1.186 -1.613 1.074) 2.272 1.865 ( -0.955 -2.048 1.924) 2.968 1.871 ( -1.000 -0.306 -1.250) 1.630 1.926 ( -2.390 1.500 -0.504) 2.866 1.959 ( 0.576 1.859 -1.111) 2.241 2.003 ( -0.439 0.265 1.066) 1.183 2.008 ( -0.603 0.547 0.127) 0.824 2.089 ( 1.685 0.071 -0.592) 1.787 2.116 ( 0.023 0.829 -0.161) 0.845 2.212 ( 1.999 1.216 -0.104) 2.342 2.213 ( -3.061 -1.115 -0.553) 3.304 2.297 ( -0.623 -1.548 -0.801) 1.851 2.386 ( 0.659 2.315 -0.590) 2.479 2.435 ( -0.571 -1.416 3.675) 3.980 2.501 ( -1.327 -2.439 -0.477) 2.817 2.544 ( 2.336 -1.011 1.389) 2.900 2.645 ( -0.820 -1.384 -1.898) 2.488 2.853 ( 0.795 0.803 2.531) 2.772 2.918 ( 3.987 -0.740 4.124) 5.784 3.139 ( -0.290 1.617 -0.733) 1.799 3.237 ( 0.210 -1.164 0.090) 1.186 3.320 ( 0.135 -1.669 -1.627) 2.335 3.399 ( -1.302 -3.034 -5.617) 6.516 3.600 ( -2.362 -0.725 -1.722) 3.012 3.650 ( 7.038 -3.518 -2.301) 8.198 3.804 ( -3.104 0.273 3.244) 4.498 3.882 ( -3.850 -1.739 1.783) 4.586 3.967 ( -0.557 -0.980 -0.730) 1.343 4.042 ( 1.035 -2.150 -2.010) 3.120 4.779 ( -0.598 1.835 0.867) 2.115 4.850 ( -0.678 -1.578 0.024) 1.718 5.038 ( 1.848 2.769 0.404) 3.353 5.169 ( -1.620 -3.294 -2.186) 4.272 5.409 ( -0.295 1.873 1.587) 2.473 5.438 ( 1.907 0.415 1.605) 2.527 6.040 ( 0.114 2.315 1.161) 2.592 6.100 ( 0.163 -0.422 -0.518) 0.688 8.320 ( -0.936 1.997 0.638) 2.296 8.417 ( 2.007 -1.095 -2.191) 3.166 8.503 ( -1.420 -0.195 1.211) 1.877 8.569 ( 0.089 -1.745 -0.734) 1.896 9.128 ( -0.595 3.382 -0.003) 3.434 9.142 ( 0.411 3.113 -0.469) 3.175 9.278 ( 0.217 -3.036 0.326) 3.061 9.289 ( -0.714 -3.494 0.027) 3.567 9.721 ( 1.167 4.104 2.286) 4.841 9.869 ( 0.479 3.801 -1.291) 4.042 9.911 ( -0.732 -3.157 2.004) 3.810 10.077 ( 0.110 -2.776 -1.806) 3.313 10.241 ( 0.369 1.293 0.417) 1.408 10.309 ( 0.657 -1.681 -1.117) 2.122 10.446 ( -1.083 -0.517 0.579) 1.333 10.468 ( 0.105 -1.328 0.143) 1.340======================= Grid point 65 (33/64) =======================q-point: (-0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.486 ( -1.707 6.133 1.197) 6.477 0.575 ( 1.940 0.089 0.016) 1.943 0.594 ( -4.270 4.017 0.523) 5.885 0.670 ( 0.214 -1.046 -2.977) 3.163 0.700 ( 2.749 -0.711 -1.652) 3.285 0.743 ( 1.372 -0.378 0.039) 1.424 0.830 ( 0.426 -0.663 -1.007) 1.279 0.869 ( -1.219 -1.683 1.842) 2.777 0.891 ( -1.965 -2.333 2.182) 3.750 0.920 ( -1.312 0.050 -1.633) 2.095 0.956 ( 5.926 -0.605 -0.504) 5.978 0.983 ( 2.582 -0.025 0.345) 2.605 1.041 ( -0.991 1.695 -1.440) 2.434 1.079 ( 1.169 1.787 0.345) 2.163 1.105 ( 1.748 2.067 -1.614) 3.152 1.179 ( -0.489 2.201 -0.477) 2.305 1.195 ( 0.742 0.319 0.852) 1.174 1.217 ( -0.917 -0.269 -0.510) 1.083 1.239 ( 1.252 0.213 0.235) 1.292 1.285 ( 0.832 -1.908 -0.233) 2.095 1.327 ( 1.423 -2.662 0.405) 3.046 1.352 ( 0.596 -3.116 -0.540) 3.218 1.435 ( -2.007 1.323 -1.778) 2.990 1.465 ( 3.238 -0.811 -0.891) 3.455 1.547 ( -1.086 0.116 2.287) 2.535 1.586 ( -3.591 -0.197 0.406) 3.619 1.655 ( -3.530 0.572 -1.087) 3.737 1.669 ( 1.417 3.634 1.744) 4.273 1.726 ( -1.518 2.505 0.352) 2.950 1.779 ( 2.255 -0.294 0.477) 2.324 1.804 ( 0.466 -1.926 0.297) 2.004 1.829 ( -1.693 2.047 -0.831) 2.784 1.858 ( -1.425 -0.128 0.936) 1.710 1.864 ( -1.036 -1.037 1.387) 2.018 1.893 ( 1.651 -2.460 0.282) 2.976 1.952 ( -0.859 -0.645 -0.364) 1.134 1.978 ( -2.743 -1.750 -0.001) 3.254 1.998 ( -1.498 -0.666 2.013) 2.596 2.101 ( 0.649 0.550 -0.476) 0.975 2.143 ( 1.341 1.343 -0.184) 1.907 2.165 ( -1.418 -0.198 0.594) 1.550 2.213 ( -0.757 -1.555 -0.661) 1.851 2.287 ( 1.082 -0.293 -0.218) 1.142 2.375 ( -1.399 3.748 -0.690) 4.060 2.464 ( -0.028 -2.455 1.390) 2.821 2.509 ( 0.938 0.316 1.703) 1.970 2.573 ( -0.260 -1.499 -0.059) 1.522 2.617 ( 0.521 0.269 -1.501) 1.612 2.932 ( 1.558 2.450 2.907) 4.108 3.020 ( 2.010 -0.258 -0.579) 2.108 3.098 ( -2.651 0.766 1.804) 3.297 3.210 ( -4.018 -4.833 -1.975) 6.589 3.276 ( -0.149 -0.212 -2.006) 2.022 3.313 ( -0.360 -1.272 -2.311) 2.663 3.578 ( 3.208 4.556 -2.166) 5.978 3.745 ( 6.176 -0.855 -3.811) 7.307 3.839 ( 1.652 -2.712 5.045) 5.961 3.868 ( -0.064 -1.435 2.051) 2.504 3.977 ( 2.571 -2.307 -0.921) 3.575 4.036 ( 0.826 -2.741 -1.603) 3.280 4.772 ( -1.143 1.765 0.878) 2.279 4.829 ( -1.608 -0.860 0.362) 1.859 5.073 ( -0.636 1.170 1.015) 1.675 5.121 ( 1.151 -2.039 -2.217) 3.225 5.469 ( 4.739 2.520 0.836) 5.432 5.538 ( 6.627 -0.111 1.442) 6.783 6.032 ( -2.076 1.818 1.001) 2.935 6.096 ( -0.454 -0.883 -0.508) 1.116 8.308 ( -1.018 2.673 0.488) 2.902 8.426 ( 1.715 -1.610 -2.070) 3.133 8.504 ( -0.269 0.004 1.437) 1.462 8.569 ( 0.858 -1.845 -0.579) 2.116 9.103 ( -1.488 2.571 -0.350) 2.991 9.148 ( 0.290 3.422 0.054) 3.435 9.238 ( -3.044 -3.350 -0.081) 4.527 9.304 ( 0.680 -3.314 0.582) 3.433 9.784 ( 1.490 3.311 2.281) 4.288 9.832 ( -1.051 5.501 -1.812) 5.887 9.920 ( -1.877 -2.822 0.560) 3.435 10.071 ( 1.480 -4.606 -1.066) 4.954 10.259 ( 0.824 1.037 -0.369) 1.375 10.316 ( 1.929 -1.429 -0.554) 2.463 10.424 ( -1.829 0.096 0.633) 1.938 10.477 ( 0.476 -1.596 0.692) 1.804======================= Grid point 66 (34/64) =======================q-point: (-0.17 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.461 ( -4.747 6.696 0.241) 8.211 0.502 ( -1.297 8.469 2.458) 8.913 0.592 ( -0.621 -0.205 -2.348) 2.437 0.684 ( 2.496 -3.366 -1.041) 4.317 0.689 ( -1.916 -2.861 -0.745) 3.522 0.744 ( 2.157 2.083 -1.238) 3.244 0.789 ( 2.145 -1.014 -0.599) 2.447 0.859 ( -1.754 3.197 -0.023) 3.646 0.909 ( 1.068 -0.200 0.823) 1.363 0.945 ( 0.385 -0.438 1.492) 1.602 0.991 ( 0.286 -1.049 1.000) 1.477 1.014 ( -0.519 1.202 -0.072) 1.312 1.080 ( 4.228 0.297 -1.740) 4.582 1.112 ( 0.495 1.461 -0.339) 1.580 1.145 ( -0.657 1.623 -1.495) 2.302 1.164 ( 4.820 0.332 1.088) 4.952 1.210 ( 0.389 -0.849 0.539) 1.078 1.227 ( 1.278 0.808 0.120) 1.516 1.262 ( 1.179 -0.929 0.121) 1.505 1.278 ( -1.517 -1.570 0.502) 2.240 1.323 ( 0.014 -0.981 -1.893) 2.132 1.362 ( 0.949 -1.730 -0.207) 1.984 1.390 ( -1.303 0.591 0.409) 1.488 1.476 ( -1.776 -3.920 -1.342) 4.508 1.504 ( -3.892 -0.751 0.505) 3.995 1.567 ( 0.232 -0.863 0.805) 1.203 1.596 ( -0.924 1.040 -0.901) 1.657 1.684 ( -1.431 2.433 -0.914) 2.967 1.711 ( 0.624 4.284 1.187) 4.489 1.793 ( -1.114 0.978 -0.135) 1.489 1.808 ( 0.394 -0.210 -0.328) 0.554 1.822 ( 0.177 -0.582 0.672) 0.906 1.845 ( -0.539 -1.488 -0.416) 1.636 1.870 ( -0.456 -0.709 1.362) 1.602 1.904 ( -1.993 -0.397 -0.311) 2.056 1.932 ( -0.965 -2.165 0.347) 2.396 1.953 ( 2.059 -1.474 -0.559) 2.593 2.001 ( -0.882 -0.225 1.551) 1.798 2.093 ( -3.678 0.234 -1.028) 3.826 2.126 ( -0.150 -0.717 1.652) 1.807 2.148 ( 0.104 -1.679 -1.743) 2.422 2.206 ( -0.828 -4.744 0.886) 4.896 2.348 ( 2.488 2.166 -0.072) 3.300 2.360 ( 2.890 4.290 0.566) 5.204 2.466 ( -0.758 -1.408 0.016) 1.599 2.507 ( -2.159 -1.583 -0.071) 2.679 2.567 ( -0.789 0.866 0.442) 1.251 2.618 ( 0.838 -0.667 -0.340) 1.123 2.917 ( -0.035 2.413 -3.253) 4.050 2.980 ( -1.588 -0.734 -2.128) 2.755 3.103 ( -3.567 -0.058 -1.226) 3.773 3.141 ( -0.326 -0.139 3.760) 3.777 3.278 ( 0.597 0.115 -0.822) 1.023 3.302 ( 0.492 -1.709 -0.386) 1.819 3.653 ( 7.714 7.862 -3.920) 11.692 3.779 ( 2.386 1.878 -3.561) 4.680 3.878 ( -0.593 0.944 3.008) 3.208 3.963 ( 2.746 -3.025 1.953) 4.529 4.029 ( 3.302 -3.456 0.968) 4.877 4.051 ( 1.214 -3.607 2.162) 4.377 4.764 ( -0.510 1.817 0.543) 1.964 4.807 ( -1.741 -0.131 0.810) 1.925 5.046 ( -1.381 2.283 0.124) 2.671 5.152 ( 2.182 -2.739 -0.172) 3.506 5.569 ( 5.753 3.455 -1.261) 6.828 5.680 ( 7.338 -0.866 -1.389) 7.518 6.001 ( -1.788 -0.052 0.090) 1.791 6.062 ( -2.536 -2.134 -0.501) 3.352 8.299 ( -0.720 3.214 0.794) 3.388 8.430 ( 1.257 -1.819 -1.708) 2.793 8.521 ( 0.040 0.202 1.287) 1.303 8.583 ( 0.901 -1.778 -0.244) 2.008 9.077 ( -1.021 1.415 0.104) 1.748 9.145 ( -0.363 1.683 -0.470) 1.785 9.195 ( -2.017 -2.034 1.140) 3.083 9.314 ( -0.153 -3.723 0.024) 3.726 9.768 ( -0.684 4.022 -1.567) 4.370 9.847 ( 0.383 3.442 -0.334) 3.479 9.879 ( -1.398 -0.273 1.684) 2.205 10.086 ( 0.154 -5.055 0.319) 5.067 10.260 ( 0.914 1.050 -1.343) 1.934 10.342 ( 0.040 -3.009 -0.141) 3.013 10.419 ( 1.129 1.937 0.152) 2.247 10.490 ( -0.148 -1.481 0.338) 1.526======================= Grid point 67 (35/64) =======================q-point: ( 0.00 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.520 ( 0.007 -2.861 0.187) 2.867 0.520 ( 0.007 2.861 0.187) 2.867 0.639 ( 1.376 -4.951 3.907) 6.455 0.639 ( 1.376 4.951 3.907) 6.455 0.724 ( 0.039 -4.180 0.805) 4.257 0.724 ( 0.039 4.180 0.805) 4.257 0.873 ( -0.315 -1.040 1.114) 1.557 0.873 ( -0.315 1.040 1.114) 1.557 0.955 ( 1.309 -2.395 -1.726) 3.229 0.955 ( 1.309 2.395 -1.726) 3.229 1.010 ( 0.172 -2.358 1.356) 2.725 1.010 ( 0.172 2.358 1.356) 2.725 1.088 ( -0.406 -0.354 -3.270) 3.314 1.088 ( -0.406 0.354 -3.270) 3.314 1.167 ( 1.249 -2.814 -2.786) 4.152 1.167 ( 1.249 2.814 -2.786) 4.152 1.242 ( 1.197 -0.977 2.345) 2.809 1.242 ( 1.197 0.977 2.345) 2.809 1.267 ( 0.549 -0.992 0.742) 1.355 1.267 ( 0.549 0.992 0.742) 1.355 1.330 ( -0.268 -0.940 -0.896) 1.326 1.330 ( -0.268 0.940 -0.896) 1.326 1.398 ( -0.565 -0.535 0.503) 0.926 1.398 ( -0.565 0.535 0.503) 0.926 1.521 ( 0.085 -3.464 1.036) 3.617 1.521 ( 0.085 3.464 1.036) 3.617 1.637 ( -0.508 -2.866 0.399) 2.937 1.637 ( -0.508 2.866 0.399) 2.937 1.784 ( 0.144 -1.389 -1.639) 2.154 1.784 ( 0.144 1.389 -1.639) 2.154 1.811 ( -0.464 -0.387 -0.132) 0.619 1.811 ( -0.464 0.387 -0.132) 0.619 1.836 ( -1.574 -1.405 0.835) 2.269 1.836 ( -1.574 1.405 0.835) 2.269 1.884 ( 0.781 -1.874 -0.861) 2.205 1.884 ( 0.781 1.874 -0.861) 2.205 1.968 ( -1.879 -0.985 0.282) 2.141 1.968 ( -1.879 0.985 0.282) 2.141 2.065 ( 0.365 -3.428 -1.679) 3.834 2.065 ( 0.365 3.428 -1.679) 3.834 2.135 ( 0.053 -0.722 0.537) 0.901 2.135 ( 0.053 0.722 0.537) 0.901 2.426 ( -0.275 -2.276 0.200) 2.302 2.426 ( -0.275 2.276 0.200) 2.302 2.468 ( 0.374 -1.575 1.374) 2.123 2.468 ( 0.374 1.575 1.374) 2.123 2.586 ( 0.388 -2.824 -0.246) 2.861 2.586 ( 0.388 2.824 -0.246) 2.861 2.951 ( 3.056 -0.759 -0.810) 3.251 2.951 ( 3.056 0.759 -0.810) 3.251 3.086 ( -3.034 -3.380 -1.471) 4.774 3.086 ( -3.034 3.380 -1.471) 4.774 3.286 ( 0.576 -0.661 -0.436) 0.979 3.286 ( 0.576 0.661 -0.436) 0.979 3.777 ( 0.703 -0.058 -4.481) 4.536 3.777 ( 0.703 0.058 -4.481) 4.536 3.947 ( 0.825 -2.664 0.155) 2.794 3.947 ( 0.825 2.664 0.155) 2.794 4.064 ( -1.138 -0.129 5.195) 5.319 4.064 ( -1.138 0.129 5.195) 5.319 4.785 ( -0.202 -0.855 -0.347) 0.945 4.785 ( -0.202 0.855 -0.347) 0.945 5.110 ( -0.459 -3.558 1.766) 3.999 5.110 ( -0.459 3.558 1.766) 3.999 5.680 ( -0.247 -2.005 -3.331) 3.896 5.680 ( -0.247 2.005 -3.331) 3.896 5.976 ( 0.278 -0.882 -0.144) 0.936 5.976 ( 0.278 0.882 -0.144) 0.936 8.374 ( -0.013 -3.337 0.309) 3.351 8.374 ( -0.013 3.337 0.309) 3.351 8.551 ( -0.010 -1.639 -0.198) 1.651 8.551 ( -0.010 1.639 -0.198) 1.651 9.106 ( 0.302 -1.981 0.626) 2.100 9.106 ( 0.302 1.981 0.626) 2.100 9.225 ( -0.595 -3.274 -0.229) 3.336 9.225 ( -0.595 3.274 -0.229) 3.336 9.828 ( 0.912 -1.663 0.135) 1.902 9.828 ( 0.912 1.663 0.135) 1.902 9.984 ( -0.472 -4.679 1.406) 4.909 9.984 ( -0.472 4.679 1.406) 4.909 10.293 ( 0.557 -1.590 -0.980) 1.949 10.293 ( 0.557 1.590 -0.980) 1.949 10.451 ( -0.645 -0.968 -0.744) 1.381 10.451 ( -0.645 0.968 -0.744) 1.381======================= Grid point 69 (36/64) =======================q-point: ( 0.17 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.553 ( 1.308 -4.063 1.097) 4.407 0.553 ( 1.308 4.063 1.097) 4.407 0.688 ( -0.122 -3.011 0.915) 3.150 0.688 ( -0.122 3.011 0.915) 3.150 0.695 ( -1.767 -3.203 -1.321) 3.889 0.695 ( -1.767 3.203 -1.321) 3.889 0.867 ( -5.224 -3.153 -0.962) 6.177 0.867 ( -5.224 3.153 -0.962) 6.177 0.933 ( 0.903 -2.457 2.432) 3.573 0.933 ( 0.903 2.457 2.432) 3.573 1.020 ( -0.017 -2.740 0.094) 2.742 1.020 ( -0.017 2.740 0.094) 2.742 1.085 ( 3.276 -0.256 -1.715) 3.706 1.085 ( 3.276 0.256 -1.715) 3.706 1.153 ( -0.301 -3.111 -1.461) 3.450 1.153 ( -0.301 3.111 -1.461) 3.450 1.247 ( -2.314 -0.317 0.460) 2.381 1.247 ( -2.314 0.317 0.460) 2.381 1.285 ( -1.247 -0.824 0.484) 1.571 1.285 ( -1.247 0.824 0.484) 1.571 1.309 ( -0.531 -2.006 -0.271) 2.092 1.309 ( -0.531 2.006 -0.271) 2.092 1.414 ( 2.816 -2.058 -1.172) 3.680 1.414 ( 2.816 2.058 -1.172) 3.680 1.551 ( 0.990 -0.421 0.983) 1.458 1.551 ( 0.990 0.421 0.983) 1.458 1.658 ( 2.315 -3.489 0.738) 4.252 1.658 ( 2.315 3.489 0.738) 4.252 1.756 ( -2.068 -1.552 -0.488) 2.631 1.756 ( -2.068 1.552 -0.488) 2.631 1.783 ( -0.771 -2.510 -0.220) 2.634 1.783 ( -0.771 2.510 -0.220) 2.634 1.844 ( 0.613 -1.714 -0.325) 1.849 1.844 ( 0.613 1.714 -0.325) 1.849 1.893 ( 1.425 -2.521 -0.849) 3.018 1.893 ( 1.425 2.521 -0.849) 3.018 1.948 ( -0.041 -0.947 2.551) 2.721 1.948 ( -0.041 0.947 2.551) 2.721 2.070 ( 1.868 -1.330 -2.072) 3.090 2.070 ( 1.868 1.330 -2.072) 3.090 2.153 ( 1.459 -1.217 0.442) 1.950 2.153 ( 1.459 1.217 0.442) 1.950 2.401 ( -2.520 -2.180 0.420) 3.358 2.401 ( -2.520 2.180 0.420) 3.358 2.493 ( 0.199 -3.751 0.942) 3.873 2.493 ( 0.199 3.751 0.942) 3.873 2.585 ( -0.222 -3.666 -0.505) 3.707 2.585 ( -0.222 3.666 -0.505) 3.707 2.940 ( -2.989 -4.265 -4.308) 6.759 2.940 ( -2.989 4.265 -4.308) 6.759 3.087 ( 4.706 -2.455 1.849) 5.620 3.087 ( 4.706 2.455 1.849) 5.620 3.294 ( 0.957 -0.745 -0.230) 1.234 3.294 ( 0.957 0.745 -0.230) 1.234 3.710 ( -2.538 -2.270 -3.184) 4.662 3.710 ( -2.538 2.270 -3.184) 4.662 3.946 ( -1.443 -3.561 0.433) 3.867 3.946 ( -1.443 3.561 0.433) 3.867 4.062 ( -4.500 -0.917 3.698) 5.896 4.062 ( -4.500 0.917 3.698) 5.896 4.786 ( 0.778 -1.734 -0.141) 1.906 4.786 ( 0.778 1.734 -0.141) 1.906 5.118 ( -1.019 -3.953 1.681) 4.415 5.118 ( -1.019 3.953 1.681) 4.415 5.574 ( -5.818 -1.572 -2.470) 6.513 5.574 ( -5.818 1.572 -2.470) 6.513 6.015 ( 3.191 -2.816 -0.416) 4.276 6.015 ( 3.191 2.816 -0.416) 4.276 8.376 ( -0.199 -2.802 0.224) 2.818 8.376 ( -0.199 2.802 0.224) 2.818 8.544 ( -0.367 -1.592 -0.041) 1.634 8.544 ( -0.367 1.592 -0.041) 1.634 9.136 ( 1.990 -1.990 0.476) 2.854 9.136 ( 1.990 1.990 0.476) 2.854 9.216 ( -0.084 -2.573 -0.070) 2.575 9.216 ( -0.084 2.573 -0.070) 2.575 9.832 ( -0.661 -2.044 -0.827) 2.302 9.832 ( -0.661 2.044 -0.827) 2.302 9.998 ( 0.121 -3.957 1.609) 4.274 9.998 ( 0.121 3.957 1.609) 4.274 10.284 ( -0.162 -0.670 -1.149) 1.340 10.284 ( -0.162 0.670 -1.149) 1.340 10.435 ( -0.027 -0.602 -0.055) 0.605 10.435 ( -0.027 0.602 -0.055) 0.605======================= Grid point 71 (37/64) =======================q-point: ( 0.33 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.521 ( -4.076 -2.812 0.023) 4.952 0.521 ( -4.076 2.812 0.023) 4.952 0.658 ( -0.987 -1.679 -2.144) 2.897 0.658 ( -0.987 1.679 -2.144) 2.897 0.707 ( 2.476 -3.094 -0.615) 4.010 0.707 ( 2.476 3.094 -0.615) 4.010 0.778 ( -1.107 -2.814 -0.817) 3.132 0.778 ( -1.107 2.814 -0.817) 3.132 0.964 ( -0.894 -2.050 1.727) 2.826 0.964 ( -0.894 2.050 1.727) 2.826 1.021 ( -0.464 -4.182 0.181) 4.212 1.021 ( -0.464 4.182 0.181) 4.212 1.111 ( -1.795 -3.120 -0.262) 3.609 1.111 ( -1.795 3.120 -0.262) 3.609 1.137 ( 1.140 -0.336 0.682) 1.370 1.137 ( 1.140 0.336 0.682) 1.370 1.203 ( -1.043 -0.465 -1.175) 1.638 1.203 ( -1.043 0.465 -1.175) 1.638 1.250 ( -1.770 -1.527 -0.088) 2.339 1.250 ( -1.770 1.527 -0.088) 2.339 1.298 ( -0.626 -2.884 -0.187) 2.957 1.298 ( -0.626 2.884 -0.187) 2.957 1.437 ( 3.014 -3.974 -3.674) 6.195 1.437 ( 3.014 3.974 -3.674) 6.195 1.571 ( -0.588 -2.177 1.823) 2.900 1.571 ( -0.588 2.177 1.823) 2.900 1.713 ( 1.846 -3.931 0.397) 4.361 1.713 ( 1.846 3.931 0.397) 4.361 1.727 ( -0.372 -1.335 0.474) 1.465 1.727 ( -0.372 1.335 0.474) 1.465 1.778 ( -0.302 -3.586 0.008) 3.599 1.778 ( -0.302 3.586 0.008) 3.599 1.828 ( -1.026 -3.035 0.679) 3.275 1.828 ( -1.026 3.035 0.679) 3.275 1.941 ( 3.072 -0.734 0.721) 3.239 1.941 ( 3.072 0.734 0.721) 3.239 2.019 ( 2.933 -1.104 1.733) 3.581 2.019 ( 2.933 1.104 1.733) 3.581 2.078 ( 1.027 -2.379 -0.713) 2.687 2.078 ( 1.027 2.379 -0.713) 2.687 2.180 ( 1.456 -1.349 -1.121) 2.280 2.180 ( 1.456 1.349 -1.121) 2.280 2.357 ( -2.818 -0.990 1.355) 3.280 2.357 ( -2.818 0.990 1.355) 3.280 2.480 ( -1.509 -2.982 -0.762) 3.428 2.480 ( -1.509 2.982 -0.762) 3.428 2.577 ( -0.168 -4.954 0.092) 4.958 2.577 ( -0.168 4.954 0.092) 4.958 2.859 ( -1.042 -1.832 -0.775) 2.246 2.859 ( -1.042 1.832 -0.775) 2.246 3.176 ( 2.315 -3.489 0.577) 4.227 3.176 ( 2.315 3.489 0.577) 4.227 3.320 ( 2.053 -1.779 -0.691) 2.803 3.320 ( 2.053 1.779 -0.691) 2.803 3.636 ( -1.390 -2.000 -2.365) 3.395 3.636 ( -1.390 2.000 -2.365) 3.395 3.897 ( -5.365 -3.189 1.803) 6.496 3.897 ( -5.365 3.189 1.803) 6.496 4.019 ( -2.075 -1.243 0.115) 2.421 4.019 ( -2.075 1.243 0.115) 2.421 4.806 ( 1.124 -1.921 0.083) 2.227 4.806 ( 1.124 1.921 0.083) 2.227 5.112 ( -1.092 -4.407 0.696) 4.593 5.112 ( -1.092 4.407 0.696) 4.593 5.459 ( -4.370 -0.913 -0.177) 4.468 5.459 ( -4.370 0.913 -0.177) 4.468 6.060 ( 2.064 -2.539 -0.212) 3.279 6.060 ( 2.064 2.539 -0.212) 3.279 8.372 ( -0.226 -2.447 0.025) 2.457 8.372 ( -0.226 2.447 0.025) 2.457 8.538 ( -0.380 -1.772 -0.064) 1.813 8.538 ( -0.380 1.772 -0.064) 1.813 9.176 ( 2.071 -0.970 -0.439) 2.329 9.176 ( 2.071 0.970 -0.439) 2.329 9.221 ( 0.027 -0.232 0.790) 0.824 9.221 ( 0.027 0.232 0.790) 0.824 9.800 ( -1.120 -4.053 -0.289) 4.215 9.800 ( -1.120 4.053 -0.289) 4.215 10.010 ( -0.296 -5.003 0.083) 5.013 10.010 ( -0.296 5.003 0.083) 5.013 10.270 ( 0.019 -1.355 -0.553) 1.464 10.270 ( 0.019 1.355 -0.553) 1.464 10.445 ( 0.370 -0.204 0.454) 0.620 10.445 ( 0.370 0.204 0.454) 0.620======================= Grid point 73 (38/64) =======================q-point: (-0.50 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.493 ( 1.211 -2.192 0.863) 2.649 0.493 ( 1.211 2.192 0.863) 2.649 0.655 ( 1.902 -1.485 -0.149) 2.418 0.655 ( 1.902 1.485 -0.149) 2.418 0.712 ( 0.610 -0.571 -1.092) 1.375 0.712 ( 0.610 0.571 -1.092) 1.375 0.806 ( 3.773 -0.749 -0.217) 3.853 0.806 ( 3.773 0.749 -0.217) 3.853 0.928 ( -5.785 -1.964 1.154) 6.217 0.928 ( -5.785 1.964 1.154) 6.217 0.987 ( -1.356 -3.776 -1.572) 4.309 0.987 ( -1.356 3.776 -1.572) 4.309 1.086 ( -0.494 -1.911 -0.495) 2.035 1.086 ( -0.494 1.911 -0.495) 2.035 1.153 ( 1.229 -2.205 -0.360) 2.550 1.153 ( 1.229 2.205 -0.360) 2.550 1.207 ( 0.980 -0.382 0.557) 1.190 1.207 ( 0.980 0.382 0.557) 1.190 1.234 ( -0.022 -1.117 0.118) 1.124 1.234 ( -0.022 1.117 0.118) 1.124 1.289 ( 0.253 -2.404 -0.569) 2.483 1.289 ( 0.253 2.404 -0.569) 2.483 1.456 ( 2.964 -2.966 -2.459) 4.861 1.456 ( 2.964 2.966 -2.459) 4.861 1.575 ( -1.578 -2.275 2.298) 3.598 1.575 ( -1.578 2.275 2.298) 3.598 1.720 ( -0.372 -2.344 -0.281) 2.390 1.720 ( -0.372 2.344 -0.281) 2.390 1.744 ( 0.971 -2.270 0.795) 2.594 1.744 ( 0.971 2.270 0.795) 2.594 1.783 ( -0.388 -2.512 0.847) 2.679 1.783 ( -0.388 2.512 0.847) 2.679 1.831 ( -0.248 -1.919 1.645) 2.540 1.831 ( -0.248 1.919 1.645) 2.540 1.973 ( -0.246 -1.059 -1.539) 1.884 1.973 ( -0.246 1.059 -1.539) 1.884 2.019 ( -2.298 -1.757 -0.509) 2.938 2.019 ( -2.298 1.757 -0.509) 2.938 2.106 ( 0.132 -5.511 1.367) 5.680 2.106 ( 0.132 5.511 1.367) 5.680 2.181 ( 1.447 -3.034 -1.484) 3.674 2.181 ( 1.447 3.034 -1.484) 3.674 2.357 ( -1.117 -4.292 2.591) 5.136 2.357 ( -1.117 4.292 2.591) 5.136 2.451 ( 0.781 -2.272 -0.971) 2.591 2.451 ( 0.781 2.272 -0.971) 2.591 2.581 ( 0.059 -3.820 0.623) 3.871 2.581 ( 0.059 3.820 0.623) 3.871 2.893 ( 2.462 -2.017 3.682) 4.867 2.893 ( 2.462 2.017 3.682) 4.867 3.187 ( -0.902 -3.194 -0.661) 3.384 3.187 ( -0.902 3.194 -0.661) 3.384 3.320 ( -0.210 -2.024 -2.401) 3.148 3.320 ( -0.210 2.024 -2.401) 3.148 3.616 ( 2.906 -1.246 -2.938) 4.316 3.616 ( 2.906 1.246 -2.938) 4.316 3.829 ( -3.361 -2.188 1.817) 4.403 3.829 ( -3.361 2.188 1.817) 4.403 3.994 ( -0.141 -2.303 -1.241) 2.620 3.994 ( -0.141 2.303 -1.241) 2.620 4.816 ( -0.103 -1.755 -0.166) 1.766 4.816 ( -0.103 1.755 -0.166) 1.766 5.099 ( -0.669 -3.238 -0.018) 3.307 5.099 ( -0.669 3.238 -0.018) 3.307 5.433 ( 0.798 -0.709 1.445) 1.796 5.433 ( 0.798 0.709 1.445) 1.796 6.081 ( 0.264 -1.471 0.047) 1.495 6.081 ( 0.264 1.471 0.047) 1.495 8.370 ( -0.021 -2.682 0.008) 2.682 8.370 ( -0.021 2.682 0.008) 2.682 8.529 ( -0.137 -1.971 -0.484) 2.034 8.529 ( -0.137 1.971 -0.484) 2.034 9.197 ( 0.393 -0.988 -0.393) 1.134 9.197 ( 0.393 0.988 -0.393) 1.134 9.221 ( -0.690 -0.539 0.518) 1.017 9.221 ( -0.690 0.539 0.518) 1.017 9.810 ( 1.055 -4.448 2.085) 5.025 9.810 ( 1.055 4.448 2.085) 5.025 9.989 ( -0.740 -5.269 -1.737) 5.597 9.989 ( -0.740 5.269 -1.737) 5.597 10.273 ( 0.536 -1.684 0.020) 1.767 10.273 ( 0.536 1.684 0.020) 1.767 10.447 ( -0.392 -0.565 0.022) 0.688 10.447 ( -0.392 0.565 0.022) 0.688======================= Grid point 75 (39/64) =======================q-point: (-0.33 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.569 ( 4.453 -0.953 1.076) 4.680 0.569 ( 4.453 0.953 1.076) 4.680 0.662 ( 0.749 -2.031 -2.341) 3.188 0.662 ( 0.749 2.031 -2.341) 3.188 0.707 ( -3.254 -4.539 -0.606) 5.618 0.707 ( -3.254 4.539 -0.606) 5.618 0.835 ( -1.868 -1.342 -0.300) 2.319 0.835 ( -1.868 1.342 -0.300) 2.319 0.879 ( 1.932 -2.247 0.775) 3.063 0.879 ( 1.932 2.247 0.775) 3.063 0.968 ( 2.023 -1.016 -0.925) 2.445 0.968 ( 2.023 1.016 -0.925) 2.445 1.082 ( 1.162 -1.355 -0.260) 1.804 1.082 ( 1.162 1.355 -0.260) 1.804 1.166 ( 0.641 -2.555 -0.797) 2.752 1.166 ( 0.641 2.555 -0.797) 2.752 1.223 ( 0.514 -1.800 -0.704) 1.999 1.223 ( 0.514 1.800 -0.704) 1.999 1.252 ( 0.877 -2.935 1.236) 3.303 1.252 ( 0.877 2.935 1.236) 3.303 1.294 ( 1.336 -1.576 -0.848) 2.233 1.294 ( 1.336 1.576 -0.848) 2.233 1.456 ( -0.321 -0.639 -2.369) 2.475 1.456 ( -0.321 0.639 -2.369) 2.475 1.564 ( -2.407 -1.374 1.799) 3.305 1.564 ( -2.407 1.374 1.799) 3.305 1.702 ( -1.935 -2.615 0.064) 3.254 1.702 ( -1.935 2.615 0.064) 3.254 1.770 ( -0.186 -2.178 0.861) 2.349 1.770 ( -0.186 2.178 0.861) 2.349 1.789 ( 1.180 -3.266 1.414) 3.749 1.789 ( 1.180 3.266 1.414) 3.749 1.854 ( 1.272 -0.162 0.248) 1.306 1.854 ( 1.272 0.162 0.248) 1.306 1.915 ( -3.131 -2.699 -0.631) 4.181 1.915 ( -3.131 2.699 -0.631) 4.181 1.976 ( -2.617 -1.699 1.469) 3.448 1.976 ( -2.617 1.699 1.469) 3.448 2.109 ( 0.065 -2.079 0.339) 2.107 2.109 ( 0.065 2.079 0.339) 2.107 2.184 ( -1.374 -1.426 -0.952) 2.197 2.184 ( -1.374 1.426 -0.952) 2.197 2.359 ( 0.731 -5.763 1.086) 5.910 2.359 ( 0.731 5.763 1.086) 5.910 2.464 ( 0.406 -4.195 -1.044) 4.341 2.464 ( 0.406 4.195 -1.044) 4.341 2.599 ( 0.574 -2.207 0.915) 2.457 2.599 ( 0.574 2.207 0.915) 2.457 2.988 ( 1.809 -2.608 1.781) 3.639 2.988 ( 1.809 2.608 1.781) 3.639 3.128 ( -3.355 -2.563 -0.317) 4.234 3.128 ( -3.355 2.563 -0.317) 4.234 3.286 ( 0.081 -1.073 -1.705) 2.016 3.286 ( 0.081 1.073 -1.705) 2.016 3.684 ( 8.531 -4.686 -3.299) 10.277 3.684 ( 8.531 4.686 -3.299) 10.277 3.831 ( 0.192 -1.631 2.954) 3.379 3.831 ( 0.192 1.631 2.954) 3.379 3.983 ( 0.588 -2.059 -1.145) 2.428 3.983 ( 0.588 2.059 -1.145) 2.428 4.805 ( -0.784 -1.413 0.048) 1.617 4.805 ( -0.784 1.413 0.048) 1.617 5.092 ( -0.154 -0.914 0.167) 0.942 5.092 ( -0.154 0.914 0.167) 0.942 5.511 ( 5.680 -1.831 1.053) 6.060 5.511 ( 5.680 1.831 1.053) 6.060 6.069 ( -1.663 -1.606 -0.070) 2.313 6.069 ( -1.663 1.606 -0.070) 2.313 8.370 ( -0.006 -3.131 -0.011) 3.131 8.370 ( -0.006 3.131 -0.011) 3.131 8.529 ( 0.747 -1.857 -0.276) 2.021 8.529 ( 0.747 1.857 -0.276) 2.021 9.163 ( -2.624 -3.045 -0.455) 4.045 9.163 ( -2.624 3.045 -0.455) 4.045 9.230 ( 0.235 -3.590 0.717) 3.668 9.230 ( 0.235 3.590 0.717) 3.668 9.854 ( -0.041 -3.350 1.379) 3.623 9.854 ( -0.041 3.350 1.379) 3.623 9.956 ( 0.205 -6.105 -1.551) 6.303 9.956 ( 0.205 6.105 -1.551) 6.303 10.285 ( 0.779 -1.409 -0.285) 1.635 10.285 ( 0.779 1.409 -0.285) 1.635 10.444 ( 0.034 -1.454 0.464) 1.526 10.444 ( 0.034 1.454 0.464) 1.526======================= Grid point 77 (40/64) =======================q-point: (-0.17 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.569 ( -2.845 -2.323 -3.505) 5.077 0.569 ( -2.845 2.323 -3.505) 5.077 0.613 ( -3.354 -2.309 2.564) 4.812 0.613 ( -3.354 2.309 2.564) 4.812 0.698 ( 2.007 -5.634 0.604) 6.011 0.698 ( 2.007 5.634 0.604) 6.011 0.840 ( 3.312 -3.418 -1.024) 4.868 0.840 ( 3.312 3.418 -1.024) 4.868 0.922 ( 2.111 -0.865 0.296) 2.301 0.922 ( 2.111 0.865 0.296) 2.301 0.999 ( 0.562 -1.388 0.290) 1.525 0.999 ( 0.562 1.388 0.290) 1.525 1.116 ( 1.717 -2.038 -1.272) 2.953 1.116 ( 1.717 2.038 -1.272) 2.953 1.171 ( 1.226 -2.010 -0.512) 2.410 1.171 ( 1.226 2.010 -0.512) 2.410 1.209 ( -0.228 -2.156 -0.898) 2.347 1.209 ( -0.228 2.156 -0.898) 2.347 1.264 ( -0.437 -0.314 0.245) 0.591 1.264 ( -0.437 0.314 0.245) 0.591 1.322 ( 1.808 -1.367 -0.121) 2.270 1.322 ( 1.808 1.367 -0.121) 2.270 1.412 ( -1.253 -1.806 -0.865) 2.362 1.412 ( -1.253 1.806 -0.865) 2.362 1.534 ( -2.377 -2.034 0.969) 3.275 1.534 ( -2.377 2.034 0.969) 3.275 1.660 ( -2.380 -4.527 0.371) 5.128 1.660 ( -2.380 4.527 0.371) 5.128 1.785 ( 0.873 -1.075 -0.112) 1.389 1.785 ( 0.873 1.075 -0.112) 1.389 1.813 ( 0.259 -0.667 0.118) 0.725 1.813 ( 0.259 0.667 0.118) 0.725 1.860 ( -1.897 -3.411 0.354) 3.919 1.860 ( -1.897 3.411 0.354) 3.919 1.880 ( 0.341 -1.187 0.202) 1.252 1.880 ( 0.341 1.187 0.202) 1.252 1.974 ( -0.355 -2.007 1.533) 2.550 1.974 ( -0.355 2.007 1.533) 2.550 2.112 ( -2.669 -1.177 -0.512) 2.961 2.112 ( -2.669 1.177 -0.512) 2.961 2.126 ( -0.100 -1.894 -0.317) 1.923 2.126 ( -0.100 1.894 -0.317) 1.923 2.403 ( 1.876 -2.800 0.671) 3.437 2.403 ( 1.876 2.800 0.671) 3.437 2.455 ( 0.066 -3.293 -0.018) 3.294 2.455 ( 0.066 3.293 -0.018) 3.294 2.596 ( -0.877 -1.495 -0.519) 1.810 2.596 ( -0.877 1.495 -0.519) 1.810 2.956 ( -1.079 -1.473 -2.961) 3.479 2.956 ( -1.079 1.473 -2.961) 3.479 3.122 ( -1.097 -1.434 2.103) 2.771 3.122 ( -1.097 1.434 2.103) 2.771 3.281 ( 0.724 -0.408 -0.838) 1.180 3.281 ( 0.724 0.408 -0.838) 1.180 3.779 ( 6.238 -3.134 -5.805) 9.079 3.779 ( 6.238 3.134 -5.805) 9.079 3.903 ( 1.691 -1.991 4.391) 5.109 3.903 ( 1.691 1.991 4.391) 5.109 4.000 ( 1.761 -0.844 1.633) 2.545 4.000 ( 1.761 0.844 1.633) 2.545 4.794 ( -0.521 -1.050 0.078) 1.175 4.794 ( -0.521 1.050 0.078) 1.175 5.097 ( -0.068 -2.553 0.963) 2.729 5.097 ( -0.068 2.553 0.963) 2.729 5.634 ( 6.823 -2.929 -0.951) 7.486 5.634 ( 6.823 2.929 -0.951) 7.486 6.019 ( -3.286 -1.686 -0.416) 3.716 6.019 ( -3.286 1.686 -0.416) 3.716 8.371 ( 0.023 -3.437 0.116) 3.439 8.371 ( 0.023 3.437 0.116) 3.439 8.544 ( 0.857 -1.735 -0.013) 1.935 8.544 ( 0.857 1.735 -0.013) 1.935 9.116 ( -1.830 -2.320 0.006) 2.955 9.116 ( -1.830 2.320 0.006) 2.955 9.235 ( -0.486 -3.648 0.412) 3.703 9.235 ( -0.486 3.648 0.412) 3.703 9.832 ( -1.043 -2.289 -1.019) 2.714 9.832 ( -1.043 2.289 -1.019) 2.714 9.970 ( 0.517 -5.869 1.100) 5.994 9.970 ( 0.517 5.869 1.100) 5.994 10.291 ( 0.755 -1.928 -0.833) 2.232 10.291 ( 0.755 1.928 -0.833) 2.232 10.457 ( 0.369 -1.718 0.308) 1.784 10.457 ( 0.369 1.718 0.308) 1.784======================= Grid point 91 (41/64) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.407 ( -5.412 0.000 7.935) 9.605 0.413 ( -2.696 0.000 8.279) 8.707 0.599 ( 8.222 0.000 -5.238) 9.749 0.622 ( -0.213 0.000 -6.155) 6.159 0.695 ( 1.027 0.000 9.337) 9.394 0.772 ( 1.914 0.000 -1.536) 2.454 0.799 ( 4.413 0.000 1.164) 4.564 0.820 ( -2.252 0.000 -1.997) 3.010 0.828 ( 1.856 0.000 3.834) 4.260 0.914 ( -1.808 0.000 -1.667) 2.459 0.988 ( 1.753 0.000 3.191) 3.641 1.002 ( -6.288 0.000 -1.664) 6.505 1.053 ( 1.132 0.000 1.094) 1.574 1.130 ( 1.348 0.000 0.507) 1.440 1.145 ( -4.282 0.000 -4.131) 5.950 1.179 ( 2.018 0.000 -2.250) 3.022 1.198 ( 0.704 0.000 -1.162) 1.358 1.227 ( 1.454 0.000 -2.804) 3.158 1.285 ( -2.570 0.000 -0.467) 2.612 1.285 ( -0.083 0.000 -0.163) 0.183 1.327 ( -1.225 0.000 1.915) 2.274 1.349 ( 0.711 0.000 -0.507) 0.873 1.433 ( -1.952 0.000 0.965) 2.178 1.472 ( 2.455 0.000 -3.000) 3.877 1.536 ( -1.939 0.000 0.167) 1.947 1.551 ( 0.378 0.000 -1.614) 1.658 1.645 ( -2.032 0.000 3.652) 4.179 1.664 ( -1.730 0.000 1.928) 2.590 1.670 ( 1.620 0.000 -0.269) 1.642 1.709 ( 1.552 0.000 -0.775) 1.735 1.777 ( -2.094 0.000 0.863) 2.265 1.802 ( 1.749 0.000 -1.473) 2.287 1.869 ( -1.252 0.000 -1.607) 2.037 1.874 ( 1.420 0.000 -1.394) 1.990 1.952 ( 0.408 0.000 1.670) 1.719 1.966 ( -0.174 0.000 0.870) 0.887 2.010 ( -0.251 0.000 1.654) 1.673 2.036 ( -2.952 0.000 0.779) 3.053 2.069 ( 1.258 0.000 -0.825) 1.505 2.074 ( 0.374 0.000 -1.911) 1.947 2.156 ( -3.965 0.000 1.060) 4.104 2.172 ( 4.719 0.000 -0.045) 4.719 2.234 ( 4.186 0.000 -1.765) 4.543 2.244 ( -2.988 0.000 -1.644) 3.411 2.499 ( -0.812 0.000 0.645) 1.037 2.515 ( 1.389 0.000 -0.980) 1.700 2.641 ( 0.229 0.000 1.467) 1.485 2.651 ( 0.485 0.000 0.221) 0.533 2.922 ( 3.540 0.000 2.466) 4.314 2.953 ( -4.321 0.000 -0.006) 4.321 3.146 ( -6.013 0.000 3.821) 7.124 3.230 ( 13.377 0.000 -3.859) 13.923 3.277 ( 1.575 0.000 1.320) 2.055 3.311 ( -1.558 0.000 -2.049) 2.574 3.461 ( -2.472 0.000 1.886) 3.109 3.502 ( 0.916 0.000 -2.415) 2.583 3.892 ( -3.424 0.000 3.704) 5.045 3.971 ( 2.904 0.000 -4.187) 5.096 4.254 ( 4.131 0.000 1.343) 4.344 4.277 ( -8.202 0.000 -1.056) 8.270 4.731 ( -0.201 0.000 2.529) 2.537 4.785 ( 0.480 0.000 -2.831) 2.871 4.865 ( -2.085 0.000 4.519) 4.977 4.963 ( 3.434 0.000 -5.469) 6.457 5.478 ( -0.400 0.000 4.118) 4.138 5.545 ( -1.181 0.000 -2.793) 3.032 6.066 ( -1.789 0.000 1.442) 2.298 6.093 ( 1.605 0.000 -1.260) 2.040 8.279 ( -0.803 0.000 3.493) 3.584 8.355 ( 1.168 0.000 -4.263) 4.421 8.598 ( -0.327 0.000 1.327) 1.367 8.617 ( 0.263 0.000 -0.736) 0.782 9.086 ( 1.298 0.000 0.332) 1.340 9.089 ( -0.640 0.000 0.073) 0.644 9.334 ( -0.625 0.000 1.764) 1.871 9.373 ( 0.545 0.000 -2.162) 2.229 9.662 ( 2.678 0.000 2.401) 3.597 9.707 ( -2.813 0.000 -2.176) 3.556 10.063 ( 3.072 0.000 2.575) 4.008 10.120 ( -0.913 0.000 -3.172) 3.301 10.290 ( -3.101 0.000 0.496) 3.140 10.298 ( 1.121 0.000 -0.233) 1.145 10.418 ( 1.362 0.000 2.504) 2.850 10.463 ( -1.532 0.000 -2.080) 2.583======================= Grid point 92 (42/64) =======================q-point: ( 0.17 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.409 ( -2.443 0.000 6.980) 7.395 0.462 ( -1.024 0.000 -1.484) 1.803 0.587 ( 5.970 0.000 -7.801) 9.823 0.638 ( 1.343 0.000 -1.626) 2.109 0.722 ( -2.646 0.000 -0.191) 2.653 0.723 ( -4.788 0.000 -1.383) 4.984 0.771 ( 0.009 0.000 -2.572) 2.572 0.859 ( 1.993 0.000 -0.046) 1.994 0.871 ( 3.612 0.000 -4.745) 5.964 0.909 ( -4.734 0.000 2.525) 5.366 0.958 ( 4.246 0.000 2.306) 4.832 1.003 ( -3.344 0.000 -3.146) 4.591 1.039 ( -2.476 0.000 5.957) 6.451 1.080 ( 1.550 0.000 1.102) 1.902 1.192 ( 3.702 0.000 -5.021) 6.239 1.200 ( 0.116 0.000 -0.450) 0.465 1.207 ( 0.101 0.000 1.784) 1.787 1.215 ( 2.585 0.000 3.435) 4.299 1.249 ( -2.183 0.000 1.200) 2.491 1.278 ( -3.415 0.000 1.192) 3.617 1.343 ( -0.340 0.000 0.154) 0.374 1.361 ( 0.895 0.000 -0.353) 0.963 1.421 ( 0.577 0.000 2.438) 2.506 1.451 ( -1.092 0.000 -0.862) 1.391 1.551 ( 1.782 0.000 3.031) 3.516 1.556 ( -0.814 0.000 -0.181) 0.834 1.640 ( -1.077 0.000 1.131) 1.562 1.644 ( -0.614 0.000 1.048) 1.215 1.666 ( -0.367 0.000 0.170) 0.404 1.729 ( 2.871 0.000 -3.812) 4.772 1.792 ( -1.781 0.000 0.105) 1.784 1.792 ( 0.201 0.000 0.735) 0.763 1.882 ( 2.267 0.000 0.877) 2.431 1.886 ( 0.789 0.000 0.395) 0.882 1.953 ( 0.060 0.000 -1.149) 1.151 1.972 ( 0.755 0.000 0.265) 0.800 2.001 ( -1.511 0.000 1.022) 1.824 2.042 ( -1.857 0.000 2.038) 2.757 2.066 ( 1.064 0.000 -1.918) 2.193 2.071 ( -0.868 0.000 -0.123) 0.877 2.107 ( -1.136 0.000 1.190) 1.645 2.180 ( -0.943 0.000 -1.524) 1.792 2.232 ( 3.046 0.000 -1.314) 3.317 2.309 ( 4.415 0.000 -0.445) 4.437 2.501 ( 0.160 0.000 0.584) 0.605 2.541 ( 2.711 0.000 -1.002) 2.891 2.625 ( -2.757 0.000 -1.518) 3.147 2.643 ( -0.336 0.000 -1.147) 1.196 2.915 ( 1.593 0.000 0.991) 1.876 3.016 ( -8.997 0.000 -0.930) 9.045 3.022 ( 3.476 0.000 0.653) 3.536 3.269 ( -0.716 0.000 -1.028) 1.253 3.282 ( 3.947 0.000 -6.730) 7.802 3.326 ( 1.395 0.000 0.774) 1.595 3.523 ( 4.747 0.000 2.780) 5.501 3.614 ( 11.231 0.000 -3.147) 11.663 3.886 ( -2.431 0.000 4.616) 5.217 3.979 ( 2.870 0.000 -3.415) 4.461 4.125 ( -9.015 0.000 2.069) 9.250 4.314 ( -1.325 0.000 3.365) 3.617 4.763 ( -0.151 0.000 2.569) 2.573 4.773 ( 2.047 0.000 -2.964) 3.603 4.895 ( 0.423 0.000 3.835) 3.859 4.980 ( 5.935 0.000 -5.354) 7.994 5.475 ( -3.092 0.000 -1.894) 3.626 5.493 ( -3.536 0.000 3.901) 5.265 6.043 ( -2.573 0.000 1.662) 3.063 6.099 ( 0.644 0.000 -1.264) 1.418 8.310 ( -0.634 0.000 3.414) 3.472 8.331 ( 1.809 0.000 -4.007) 4.396 8.600 ( -0.924 0.000 1.018) 1.375 8.608 ( -0.122 0.000 -0.943) 0.951 9.075 ( -0.299 0.000 -0.525) 0.604 9.094 ( -0.562 0.000 -0.342) 0.658 9.358 ( 0.513 0.000 2.340) 2.396 9.369 ( 1.277 0.000 -1.965) 2.344 9.620 ( -3.149 0.000 -1.863) 3.659 9.728 ( 1.525 0.000 2.196) 2.674 10.049 ( -1.317 0.000 -4.391) 4.584 10.105 ( -0.882 0.000 2.213) 2.382 10.283 ( 1.127 0.000 0.144) 1.136 10.288 ( -2.761 0.000 0.277) 2.775 10.455 ( 2.985 0.000 -0.536) 3.032 10.479 ( 1.299 0.000 2.136) 2.500======================= Grid point 93 (43/64) =======================q-point: ( 0.33 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.400 ( 4.888 0.000 -2.645) 5.558 0.507 ( 5.956 0.000 3.191) 6.757 0.619 ( -4.021 0.000 5.445) 6.769 0.624 ( 4.299 0.000 -6.496) 7.790 0.656 ( -1.676 0.000 0.834) 1.872 0.720 ( -0.635 0.000 -2.354) 2.438 0.761 ( 2.414 0.000 0.539) 2.474 0.823 ( -0.336 0.000 0.775) 0.844 0.878 ( 0.362 0.000 0.369) 0.517 0.887 ( -1.691 0.000 1.009) 1.969 1.002 ( -3.568 0.000 -0.703) 3.636 1.022 ( 5.993 0.000 -2.177) 6.376 1.056 ( 0.179 0.000 1.628) 1.638 1.112 ( 0.856 0.000 1.403) 1.644 1.161 ( -0.557 0.000 0.077) 0.563 1.187 ( -5.420 0.000 -0.494) 5.443 1.191 ( 0.348 0.000 -1.208) 1.257 1.211 ( -1.030 0.000 0.453) 1.125 1.259 ( 1.885 0.000 0.203) 1.896 1.270 ( -3.484 0.000 1.865) 3.951 1.363 ( 1.385 0.000 3.120) 3.413 1.386 ( 1.541 0.000 1.168) 1.933 1.448 ( -0.463 0.000 1.540) 1.609 1.478 ( -1.659 0.000 1.933) 2.548 1.517 ( 1.031 0.000 -0.513) 1.151 1.634 ( -0.150 0.000 -0.267) 0.306 1.647 ( 0.122 0.000 0.273) 0.299 1.660 ( 2.856 0.000 3.859) 4.801 1.664 ( 0.156 0.000 -0.564) 0.585 1.725 ( 1.190 0.000 -1.921) 2.259 1.776 ( -0.812 0.000 0.509) 0.958 1.776 ( 0.134 0.000 -0.090) 0.161 1.890 ( -3.073 0.000 0.308) 3.088 1.918 ( 1.598 0.000 -0.237) 1.615 1.950 ( 1.530 0.000 -1.968) 2.493 1.973 ( -0.725 0.000 -0.803) 1.082 1.998 ( -2.330 0.000 0.481) 2.380 2.012 ( -1.255 0.000 2.260) 2.585 2.032 ( -2.082 0.000 0.976) 2.300 2.063 ( 2.106 0.000 -2.687) 3.414 2.147 ( 1.819 0.000 0.900) 2.030 2.177 ( 0.165 0.000 1.223) 1.234 2.252 ( 1.356 0.000 -2.274) 2.648 2.344 ( 1.167 0.000 -3.767) 3.944 2.516 ( -0.601 0.000 1.342) 1.470 2.558 ( -1.281 0.000 0.811) 1.516 2.571 ( 1.356 0.000 -1.694) 2.170 2.631 ( 1.242 0.000 -0.955) 1.566 2.860 ( -1.877 0.000 -3.452) 3.930 3.033 ( -0.217 0.000 -3.936) 3.942 3.036 ( 4.066 0.000 5.981) 7.232 3.255 ( -0.190 0.000 -0.003) 0.190 3.272 ( 2.942 0.000 -4.744) 5.582 3.347 ( -0.380 0.000 -0.136) 0.404 3.639 ( 3.918 0.000 2.187) 4.487 3.735 ( 5.404 0.000 -3.272) 6.317 3.932 ( 1.663 0.000 4.828) 5.106 3.991 ( 2.711 0.000 -3.040) 4.073 4.009 ( -6.137 0.000 2.295) 6.552 4.263 ( -6.989 0.000 1.012) 7.062 4.775 ( -1.695 0.000 2.393) 2.932 4.785 ( 3.000 0.000 -2.806) 4.108 4.978 ( 3.004 0.000 3.992) 4.996 5.059 ( 8.197 0.000 -3.599) 8.952 5.400 ( -2.696 0.000 -1.206) 2.954 5.437 ( -6.493 0.000 2.239) 6.868 6.024 ( -2.028 0.000 2.460) 3.188 6.088 ( 0.153 0.000 -1.516) 1.524 8.323 ( -1.836 0.000 2.285) 2.932 8.328 ( 2.707 0.000 -3.429) 4.369 8.591 ( -1.219 0.000 0.833) 1.476 8.595 ( 0.089 0.000 -0.879) 0.883 9.061 ( -0.352 0.000 -1.084) 1.139 9.066 ( -1.599 0.000 -0.366) 1.640 9.366 ( 0.662 0.000 -1.417) 1.564 9.384 ( -1.013 0.000 1.215) 1.582 9.596 ( 1.182 0.000 2.025) 2.344 9.763 ( 0.469 0.000 0.266) 0.539 10.009 ( 2.439 0.000 -2.645) 3.598 10.102 ( -2.232 0.000 1.885) 2.922 10.244 ( -2.125 0.000 0.927) 2.319 10.295 ( 1.034 0.000 -1.865) 2.132 10.509 ( -0.104 0.000 1.343) 1.347 10.509 ( 1.458 0.000 1.000) 1.768======================= Grid point 94 (44/64) =======================q-point: (-0.50 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.527 ( -6.445 0.000 1.383) 6.591 0.533 ( 0.712 0.000 2.329) 2.435 0.613 ( 0.594 0.000 3.187) 3.242 0.678 ( 7.232 0.000 -0.454) 7.247 0.705 ( 5.602 0.000 -3.904) 6.828 0.708 ( -0.244 0.000 -1.944) 1.959 0.803 ( 4.062 0.000 0.437) 4.086 0.827 ( -7.938 0.000 -1.846) 8.149 0.872 ( 4.402 0.000 4.495) 6.292 0.903 ( -2.551 0.000 0.372) 2.579 0.931 ( 2.085 0.000 1.361) 2.490 1.004 ( -4.986 0.000 -5.472) 7.403 1.098 ( -1.858 0.000 2.289) 2.948 1.102 ( 2.490 0.000 1.752) 3.044 1.146 ( -1.961 0.000 1.793) 2.657 1.172 ( -2.479 0.000 1.247) 2.775 1.174 ( -1.083 0.000 1.761) 2.067 1.196 ( 0.918 0.000 -2.615) 2.772 1.265 ( 3.206 0.000 0.062) 3.207 1.279 ( 1.258 0.000 -1.583) 2.022 1.403 ( -0.722 0.000 2.755) 2.849 1.423 ( 0.061 0.000 0.734) 0.737 1.440 ( -0.518 0.000 0.721) 0.888 1.460 ( 1.090 0.000 -0.362) 1.148 1.582 ( 3.703 0.000 0.409) 3.726 1.586 ( -4.492 0.000 3.434) 5.654 1.601 ( -3.128 0.000 -1.712) 3.566 1.663 ( 1.713 0.000 -2.238) 2.818 1.737 ( 1.529 0.000 -0.058) 1.530 1.761 ( 0.659 0.000 -0.264) 0.710 1.772 ( -0.307 0.000 0.828) 0.883 1.789 ( 0.318 0.000 -1.179) 1.221 1.875 ( 3.453 0.000 2.262) 4.128 1.903 ( -4.026 0.000 -0.423) 4.048 1.948 ( 1.016 0.000 0.797) 1.291 1.967 ( 0.235 0.000 0.132) 0.270 1.971 ( -2.454 0.000 -0.227) 2.464 1.974 ( -0.920 0.000 -1.402) 1.677 2.030 ( -0.274 0.000 1.797) 1.817 2.071 ( 1.320 0.000 -2.114) 2.493 2.183 ( 1.452 0.000 0.206) 1.467 2.208 ( 0.576 0.000 3.388) 3.437 2.229 ( 0.738 0.000 -4.157) 4.222 2.277 ( -1.435 0.000 -4.375) 4.605 2.514 ( -1.153 0.000 2.159) 2.448 2.556 ( 0.249 0.000 -2.103) 2.117 2.595 ( 0.413 0.000 3.117) 3.144 2.644 ( 0.571 0.000 -1.656) 1.751 2.869 ( 3.079 0.000 1.019) 3.243 2.938 ( -3.040 0.000 -5.827) 6.572 3.164 ( 0.303 0.000 6.913) 6.919 3.266 ( 0.959 0.000 -3.591) 3.717 3.269 ( 1.889 0.000 0.618) 1.987 3.296 ( -2.907 0.000 -2.457) 3.806 3.704 ( 0.334 0.000 1.852) 1.882 3.738 ( -0.932 0.000 -1.631) 1.879 3.944 ( -4.053 0.000 3.897) 5.622 4.009 ( 3.505 0.000 -2.993) 4.609 4.072 ( 7.150 0.000 2.649) 7.625 4.121 ( -6.683 0.000 -2.154) 7.021 4.764 ( -2.427 0.000 2.035) 3.167 4.808 ( 2.830 0.000 -2.505) 3.779 5.052 ( -1.326 0.000 3.670) 3.902 5.140 ( 4.338 0.000 -4.852) 6.509 5.345 ( -5.002 0.000 2.596) 5.636 5.378 ( 2.164 0.000 -0.406) 2.202 6.030 ( -0.787 0.000 2.659) 2.773 6.074 ( 0.610 0.000 -1.827) 1.926 8.301 ( -2.843 0.000 1.641) 3.282 8.345 ( 3.247 0.000 -2.856) 4.324 8.579 ( -1.107 0.000 0.880) 1.414 8.594 ( 0.722 0.000 -0.628) 0.957 9.041 ( -0.686 0.000 -0.023) 0.687 9.047 ( 0.331 0.000 -0.658) 0.737 9.359 ( -1.716 0.000 0.186) 1.726 9.366 ( 0.977 0.000 -0.581) 1.137 9.680 ( 2.633 0.000 3.916) 4.719 9.741 ( -1.836 0.000 -2.188) 2.856 10.059 ( -4.178 0.000 0.448) 4.202 10.067 ( 4.860 0.000 -0.437) 4.879 10.238 ( -0.348 0.000 1.660) 1.697 10.281 ( 0.855 0.000 -2.828) 2.954 10.520 ( 0.071 0.000 1.009) 1.012 10.524 ( -0.349 0.000 0.395) 0.527======================= Grid point 95 (45/64) =======================q-point: (-0.33 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.382 ( -10.947 0.000 -0.512) 10.959 0.494 ( -7.996 0.000 6.180) 10.106 0.586 ( -1.297 0.000 -4.872) 5.041 0.654 ( -5.654 0.000 3.421) 6.608 0.710 ( 4.080 0.000 -3.689) 5.501 0.731 ( 1.728 0.000 -3.884) 4.252 0.767 ( -1.036 0.000 -0.564) 1.180 0.831 ( -4.371 0.000 -0.473) 4.397 0.901 ( -0.160 0.000 -1.886) 1.892 0.928 ( 4.313 0.000 -2.691) 5.084 0.949 ( 4.240 0.000 3.556) 5.534 1.001 ( -6.518 0.000 -1.386) 6.663 1.046 ( 3.195 0.000 3.193) 4.517 1.133 ( 0.246 0.000 -0.131) 0.278 1.145 ( 0.528 0.000 3.175) 3.219 1.162 ( -1.878 0.000 1.087) 2.170 1.190 ( -0.465 0.000 -1.975) 2.029 1.208 ( 3.356 0.000 1.710) 3.767 1.293 ( 0.202 0.000 -2.500) 2.508 1.309 ( 4.954 0.000 -1.957) 5.327 1.402 ( -2.148 0.000 -0.452) 2.195 1.402 ( -1.351 0.000 0.041) 1.351 1.459 ( 0.707 0.000 0.252) 0.751 1.498 ( 4.035 0.000 -0.292) 4.045 1.533 ( -1.711 0.000 -1.425) 2.227 1.587 ( -1.874 0.000 5.723) 6.022 1.627 ( 0.129 0.000 0.469) 0.486 1.673 ( 2.030 0.000 -2.263) 3.040 1.720 ( -4.283 0.000 -1.807) 4.649 1.727 ( -1.646 0.000 -1.027) 1.940 1.784 ( 0.955 0.000 -0.698) 1.183 1.791 ( 1.167 0.000 -0.776) 1.401 1.860 ( 1.435 0.000 2.053) 2.505 1.909 ( -2.571 0.000 0.210) 2.580 1.944 ( 0.772 0.000 -0.452) 0.895 1.958 ( 1.234 0.000 0.672) 1.405 1.996 ( 0.403 0.000 1.072) 1.145 1.998 ( -0.258 0.000 2.949) 2.961 2.058 ( 2.577 0.000 -0.304) 2.595 2.071 ( 1.989 0.000 -2.599) 3.273 2.171 ( -1.557 0.000 -4.095) 4.381 2.200 ( -0.786 0.000 1.823) 1.985 2.233 ( 1.008 0.000 -2.961) 3.128 2.276 ( 1.323 0.000 3.185) 3.449 2.524 ( -1.362 0.000 2.911) 3.214 2.543 ( 0.515 0.000 -1.274) 1.374 2.605 ( -0.727 0.000 -2.998) 3.084 2.611 ( -1.503 0.000 1.414) 2.064 2.829 ( -2.068 0.000 -1.718) 2.689 2.946 ( 1.327 0.000 3.968) 4.184 3.142 ( -6.387 0.000 -5.339) 8.325 3.198 ( -2.706 0.000 3.948) 4.786 3.266 ( 0.071 0.000 -1.119) 1.121 3.332 ( 2.268 0.000 1.318) 2.623 3.674 ( -7.017 0.000 2.781) 7.548 3.684 ( -2.467 0.000 -2.288) 3.364 3.929 ( -2.777 0.000 3.298) 4.312 4.007 ( -1.127 0.000 -3.087) 3.286 4.063 ( 5.703 0.000 -2.973) 6.431 4.252 ( 8.581 0.000 2.739) 9.007 4.739 ( -2.640 0.000 1.814) 3.204 4.822 ( 1.804 0.000 -2.357) 2.968 5.001 ( -7.459 0.000 2.010) 7.725 5.078 ( -1.816 0.000 -6.122) 6.386 5.357 ( 1.017 0.000 3.295) 3.448 5.463 ( 6.311 0.000 0.052) 6.311 6.052 ( -0.151 0.000 2.177) 2.182 6.070 ( 1.438 0.000 -2.051) 2.504 8.272 ( -2.612 0.000 2.140) 3.376 8.370 ( 2.859 0.000 -2.621) 3.879 8.576 ( -0.622 0.000 1.186) 1.339 8.604 ( 1.041 0.000 -0.516) 1.162 9.044 ( 0.489 0.000 0.496) 0.697 9.060 ( 1.251 0.000 0.202) 1.268 9.341 ( -1.211 0.000 1.030) 1.589 9.391 ( 1.739 0.000 0.242) 1.756 9.655 ( -3.188 0.000 -3.465) 4.708 9.750 ( 0.998 0.000 1.793) 2.052 9.976 ( -4.508 0.000 0.508) 4.536 10.134 ( 3.145 0.000 -1.319) 3.410 10.263 ( 0.688 0.000 1.506) 1.656 10.272 ( 1.767 0.000 -2.173) 2.801 10.520 ( -0.236 0.000 0.076) 0.248 10.529 ( -0.222 0.000 -0.521) 0.566======================= Grid point 96 (46/64) =======================q-point: (-0.17 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.308 ( 0.683 0.000 10.600) 10.622 0.418 ( -9.046 0.000 8.977) 12.744 0.543 ( 4.955 0.000 -6.972) 8.553 0.635 ( -8.490 0.000 10.055) 13.160 0.688 ( 0.062 0.000 -2.237) 2.238 0.732 ( 0.793 0.000 -1.093) 1.351 0.743 ( 3.447 0.000 -2.231) 4.106 0.808 ( -1.755 0.000 1.782) 2.501 0.868 ( -1.111 0.000 -1.177) 1.618 0.911 ( 0.179 0.000 1.488) 1.499 0.963 ( -3.569 0.000 0.683) 3.633 1.006 ( 6.518 0.000 -3.989) 7.642 1.108 ( 0.414 0.000 -1.183) 1.253 1.123 ( 1.036 0.000 -2.113) 2.353 1.136 ( -1.803 0.000 0.504) 1.873 1.175 ( 2.229 0.000 0.101) 2.232 1.241 ( 1.226 0.000 3.345) 3.563 1.243 ( -0.454 0.000 -1.409) 1.480 1.279 ( 2.425 0.000 -1.621) 2.917 1.326 ( -1.757 0.000 -3.458) 3.879 1.360 ( 0.119 0.000 -1.475) 1.480 1.362 ( -2.315 0.000 -0.699) 2.419 1.452 ( -0.970 0.000 -0.417) 1.056 1.485 ( -0.108 0.000 -3.914) 3.916 1.557 ( 1.253 0.000 -0.026) 1.253 1.603 ( -2.352 0.000 -2.168) 3.199 1.628 ( -1.665 0.000 5.485) 5.732 1.645 ( -0.445 0.000 0.210) 0.492 1.676 ( 2.774 0.000 -2.158) 3.515 1.677 ( -2.390 0.000 -0.737) 2.501 1.801 ( 0.403 0.000 -0.588) 0.712 1.803 ( 0.984 0.000 -0.383) 1.056 1.883 ( -1.327 0.000 0.931) 1.622 1.903 ( -0.777 0.000 1.271) 1.490 1.938 ( 0.278 0.000 -1.829) 1.850 1.960 ( -1.218 0.000 0.387) 1.278 2.012 ( -0.608 0.000 1.482) 1.602 2.047 ( 1.341 0.000 2.047) 2.448 2.063 ( 0.956 0.000 -2.751) 2.913 2.082 ( 3.245 0.000 -0.842) 3.352 2.106 ( -1.636 0.000 -1.444) 2.182 2.203 ( -2.377 0.000 1.859) 3.017 2.219 ( 2.199 0.000 -4.243) 4.779 2.295 ( -1.972 0.000 1.424) 2.433 2.517 ( -2.442 0.000 1.695) 2.973 2.520 ( -0.541 0.000 -1.384) 1.486 2.605 ( 2.914 0.000 0.048) 2.914 2.612 ( 0.130 0.000 1.903) 1.908 2.892 ( 2.375 0.000 3.818) 4.496 2.991 ( -2.008 0.000 3.927) 4.410 2.998 ( 1.666 0.000 0.181) 1.676 3.182 ( -3.385 0.000 2.910) 4.464 3.260 ( 0.099 0.000 0.017) 0.101 3.351 ( -0.352 0.000 -1.075) 1.132 3.551 ( -9.228 0.000 3.214) 9.772 3.590 ( -3.750 0.000 -3.866) 5.386 3.913 ( -3.303 0.000 3.232) 4.621 3.976 ( 2.098 0.000 -4.366) 4.844 4.153 ( 6.421 0.000 -1.063) 6.508 4.382 ( 2.906 0.000 -3.230) 4.345 4.720 ( -1.844 0.000 2.273) 2.927 4.813 ( 0.308 0.000 -2.434) 2.453 4.882 ( -7.304 0.000 4.257) 8.454 4.990 ( 0.587 0.000 -5.777) 5.807 5.422 ( 1.295 0.000 3.547) 3.776 5.557 ( 4.253 0.000 -2.478) 4.922 6.069 ( -0.643 0.000 1.703) 1.820 6.077 ( 1.895 0.000 -1.722) 2.561 8.263 ( -1.734 0.000 2.912) 3.389 8.378 ( 1.779 0.000 -3.419) 3.854 8.584 ( -0.267 0.000 1.529) 1.552 8.615 ( 0.818 0.000 -0.567) 0.996 9.060 ( 0.377 0.000 0.900) 0.976 9.085 ( 0.695 0.000 0.492) 0.851 9.334 ( -1.306 0.000 1.542) 2.021 9.403 ( -0.223 0.000 -1.879) 1.892 9.599 ( 0.892 0.000 0.173) 0.908 9.757 ( -0.776 0.000 -0.714) 1.054 9.964 ( 0.942 0.000 4.248) 4.351 10.149 ( 1.181 0.000 -2.309) 2.594 10.285 ( 0.572 0.000 0.102) 0.581 10.297 ( 2.703 0.000 -0.852) 2.834 10.464 ( -5.242 0.000 -1.823) 5.549 10.508 ( -0.953 0.000 -0.836) 1.268======================= Grid point 97 (47/64) =======================q-point: ( 0.00 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.447 ( -1.653 3.249 4.280) 5.622 0.452 ( -2.831 3.460 4.476) 6.326 0.594 ( 0.440 0.086 0.320) 0.551 0.642 ( 3.069 1.864 -4.175) 5.507 0.710 ( 0.836 -1.106 1.731) 2.218 0.745 ( 1.141 -1.744 -1.688) 2.682 0.834 ( 1.583 5.025 2.765) 5.950 0.861 ( 2.857 3.635 3.827) 6.002 0.885 ( 0.145 3.325 0.311) 3.343 0.952 ( -1.750 2.807 -0.891) 3.426 0.995 ( -2.645 -0.339 -1.331) 2.981 0.998 ( 0.101 0.378 1.955) 1.994 1.029 ( 2.561 -1.541 -0.893) 3.119 1.100 ( -0.968 -2.119 -0.814) 2.468 1.138 ( -3.173 0.819 -0.988) 3.423 1.181 ( 1.912 -0.347 -1.673) 2.564 1.235 ( -0.349 0.451 0.241) 0.620 1.249 ( 1.233 -0.617 -0.963) 1.682 1.274 ( -1.354 0.406 0.413) 1.473 1.298 ( -0.685 1.281 -1.391) 2.011 1.338 ( 0.322 1.155 1.660) 2.048 1.364 ( -0.423 1.458 -1.213) 1.943 1.429 ( 0.391 -0.229 1.192) 1.276 1.454 ( -0.279 -2.082 -1.262) 2.451 1.538 ( -0.079 0.270 0.778) 0.827 1.555 ( 0.449 0.790 -1.482) 1.738 1.584 ( -0.542 -3.328 0.813) 3.468 1.618 ( -0.162 -3.969 -1.916) 4.410 1.662 ( -0.959 0.764 2.643) 2.914 1.715 ( 1.496 0.789 -2.332) 2.880 1.783 ( -1.271 0.352 0.568) 1.436 1.802 ( 0.900 -0.033 -1.285) 1.570 1.847 ( -1.696 -0.673 0.032) 1.825 1.871 ( 1.041 -0.426 -1.596) 1.952 1.931 ( 1.382 -3.246 0.472) 3.560 1.932 ( -1.910 -2.847 0.105) 3.430 2.011 ( -0.176 0.163 2.559) 2.570 2.047 ( 1.348 -0.807 0.288) 1.598 2.064 ( -1.764 -2.085 -0.501) 2.777 2.075 ( 0.123 0.188 -2.948) 2.957 2.187 ( 2.245 2.343 1.960) 3.791 2.226 ( -2.147 3.503 -1.664) 4.433 2.256 ( -2.472 2.504 0.932) 3.640 2.291 ( 3.058 4.945 -2.624) 6.379 2.480 ( 0.128 -2.217 0.862) 2.382 2.497 ( -0.451 -0.905 -0.902) 1.355 2.628 ( 0.364 -1.728 1.492) 2.312 2.646 ( 0.646 0.151 -0.294) 0.725 2.939 ( 0.349 1.272 1.136) 1.741 2.950 ( -1.735 -0.173 0.525) 1.821 3.084 ( 3.031 -4.085 4.961) 7.105 3.183 ( 0.524 -3.316 -3.670) 4.974 3.277 ( 1.312 -0.136 0.974) 1.640 3.305 ( -1.620 -0.762 -1.692) 2.463 3.553 ( 6.099 5.755 -0.714) 8.416 3.566 ( -4.116 5.729 -2.359) 7.438 3.900 ( -2.988 0.799 3.153) 4.417 3.966 ( 2.531 -0.358 -3.486) 4.323 4.218 ( 2.723 -2.784 1.493) 4.170 4.227 ( -4.735 -3.342 0.986) 5.879 4.763 ( 1.252 1.483 1.913) 2.725 4.787 ( -3.020 0.265 0.069) 3.032 4.963 ( -1.272 5.685 1.572) 6.034 5.051 ( 3.852 7.454 -7.284) 11.111 5.498 ( -0.085 2.333 2.518) 3.434 5.555 ( -1.406 1.071 -3.053) 3.527 6.046 ( -1.973 -1.819 1.291) 2.978 6.070 ( 1.808 -2.135 -1.068) 2.995 8.295 ( -0.772 1.551 3.190) 3.630 8.365 ( 1.114 0.879 -3.853) 4.106 8.584 ( -0.428 -1.196 1.457) 1.933 8.606 ( 0.288 -1.079 -0.824) 1.388 9.086 ( 0.427 0.247 0.907) 1.033 9.100 ( -0.062 0.906 -0.519) 1.046 9.292 ( -0.379 -3.320 2.145) 3.971 9.336 ( 0.150 -3.057 -2.294) 3.825 9.705 ( 2.524 3.539 1.855) 4.726 9.741 ( -2.511 2.853 -1.824) 4.216 10.035 ( 2.065 -1.972 3.959) 4.882 10.105 ( -0.881 -1.460 -3.333) 3.744 10.273 ( -0.056 -0.673 1.844) 1.964 10.314 ( -0.815 0.121 -2.329) 2.471 10.421 ( 1.227 0.308 1.889) 2.274 10.460 ( -1.438 -0.355 -1.888) 2.400======================= Grid point 98 (48/64) =======================q-point: ( 0.17 0.17 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.432 ( -3.208 1.901 4.795) 6.074 0.499 ( 0.785 3.003 -0.578) 3.158 0.561 ( 0.152 0.602 -2.413) 2.491 0.614 ( -0.058 -1.056 -4.411) 4.536 0.716 ( -1.687 0.734 -0.277) 1.860 0.740 ( -0.673 -1.060 -0.965) 1.583 0.824 ( -2.759 2.113 -2.278) 4.155 0.843 ( -5.168 -1.929 2.574) 6.088 0.909 ( 4.530 4.123 -4.455) 7.574 0.936 ( -0.209 2.116 1.091) 2.390 0.971 ( 0.593 0.466 1.391) 1.583 1.000 ( -0.269 1.663 -2.803) 3.270 1.068 ( 2.385 0.796 1.282) 2.822 1.099 ( -0.887 2.633 3.295) 4.310 1.161 ( 2.244 -2.020 -0.890) 3.148 1.184 ( 1.117 -0.752 1.458) 1.985 1.217 ( -1.374 -0.710 -1.264) 1.997 1.243 ( -0.941 -0.209 -0.336) 1.021 1.274 ( -1.331 2.091 2.501) 3.521 1.293 ( -1.017 2.181 0.342) 2.430 1.314 ( -1.247 -1.169 -0.345) 1.744 1.361 ( 0.598 -0.499 0.220) 0.810 1.419 ( -0.253 -1.547 -0.770) 1.747 1.464 ( -0.822 0.951 0.572) 1.381 1.541 ( -0.886 -0.409 0.630) 1.162 1.570 ( 3.107 0.655 1.040) 3.342 1.593 ( 0.556 -3.206 -0.168) 3.258 1.614 ( 1.116 -2.569 0.836) 2.923 1.662 ( -0.706 1.190 0.685) 1.544 1.700 ( 1.056 0.643 -2.103) 2.439 1.794 ( -0.329 0.504 0.818) 1.015 1.807 ( 0.779 0.166 -0.229) 0.828 1.859 ( 0.612 -1.852 1.096) 2.238 1.894 ( 2.757 0.648 -0.387) 2.858 1.923 ( 1.265 -2.689 0.987) 3.131 1.957 ( 0.454 -2.522 0.343) 2.585 2.008 ( -1.905 -1.259 -1.316) 2.636 2.031 ( -1.291 0.510 -0.058) 1.390 2.047 ( -0.116 0.323 2.044) 2.072 2.085 ( 0.491 -0.849 -0.242) 1.010 2.182 ( -0.277 0.831 -1.688) 1.902 2.207 ( -2.155 7.297 1.725) 7.801 2.275 ( 3.178 -0.013 0.838) 3.287 2.312 ( 2.242 3.087 -1.779) 4.210 2.487 ( 0.226 -1.265 0.032) 1.286 2.506 ( 1.291 -2.867 0.878) 3.265 2.605 ( -1.871 -1.216 -1.341) 2.603 2.659 ( 0.452 0.633 -1.184) 1.417 2.915 ( -0.673 -0.402 2.122) 2.262 2.977 ( -6.694 -2.110 -3.053) 7.654 3.023 ( 3.099 -0.417 -0.535) 3.173 3.227 ( 1.682 -2.839 -0.403) 3.325 3.287 ( 2.461 -0.053 -2.215) 3.312 3.346 ( 2.994 0.384 0.303) 3.034 3.512 ( 1.610 1.365 -0.228) 2.123 3.662 ( 5.896 2.700 -1.448) 6.645 3.891 ( -2.482 0.604 3.964) 4.715 3.975 ( 2.722 -0.270 -3.081) 4.120 4.120 ( -7.639 -0.500 1.228) 7.753 4.236 ( -2.971 -5.343 1.243) 6.238 4.753 ( -0.276 0.195 0.299) 0.451 4.837 ( 3.031 1.108 2.587) 4.136 4.938 ( -2.720 5.085 0.369) 5.779 5.068 ( 5.549 6.544 -3.883) 9.418 5.484 ( -3.069 0.857 -1.202) 3.406 5.509 ( -3.473 1.712 3.513) 5.229 6.015 ( -2.072 -2.146 1.148) 3.196 6.096 ( 1.409 -0.659 -0.783) 1.741 8.321 ( -0.772 1.075 3.023) 3.300 8.343 ( 1.616 1.102 -3.586) 4.085 8.585 ( -1.068 -1.304 0.763) 1.850 8.599 ( 0.055 -0.899 -0.598) 1.081 9.082 ( -0.280 0.715 -0.511) 0.923 9.104 ( -0.011 0.890 -0.046) 0.891 9.312 ( 0.665 -3.255 -0.139) 3.325 9.339 ( 1.346 -2.958 0.599) 3.305 9.665 ( -2.836 3.635 -1.459) 4.836 9.763 ( 1.391 2.982 1.625) 3.670 10.023 ( -2.197 -2.215 -3.020) 4.342 10.098 ( 0.351 -0.534 1.408) 1.546 10.265 ( -1.022 -0.558 -0.774) 1.399 10.310 ( -0.240 0.399 1.094) 1.189 10.443 ( 2.010 -0.870 -1.127) 2.463 10.472 ( 1.124 -0.645 2.160) 2.519======================= Grid point 99 (49/64) =======================q-point: ( 0.33 0.17 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.437 ( 3.288 1.762 -1.727) 4.111 0.484 ( 3.581 1.139 2.024) 4.268 0.580 ( 3.619 -0.555 -2.322) 4.335 0.626 ( 0.131 -1.902 2.427) 3.086 0.682 ( -2.325 2.399 0.764) 3.427 0.717 ( -1.778 -1.424 0.014) 2.278 0.784 ( -1.211 -1.864 0.805) 2.365 0.798 ( 0.475 -0.300 2.262) 2.331 0.886 ( 0.038 4.875 -2.979) 5.713 0.941 ( -1.788 2.328 0.125) 2.938 0.988 ( 0.744 -0.792 -0.826) 1.364 1.027 ( 1.721 0.788 -1.212) 2.248 1.097 ( -0.430 1.919 0.411) 2.009 1.111 ( 0.183 0.332 0.756) 0.846 1.158 ( -0.684 -1.008 -2.592) 2.864 1.167 ( -2.067 -0.230 1.660) 2.661 1.194 ( -1.081 -0.505 -1.963) 2.297 1.226 ( -2.619 1.467 0.321) 3.019 1.232 ( 0.251 -1.338 0.008) 1.361 1.277 ( -1.511 -1.541 1.549) 2.657 1.351 ( 1.442 -1.823 1.667) 2.860 1.377 ( 0.856 -0.880 0.937) 1.544 1.396 ( -0.668 -3.920 0.749) 4.047 1.480 ( -0.317 -0.265 0.848) 0.943 1.521 ( -1.168 1.949 1.147) 2.545 1.607 ( 1.177 -2.232 -0.545) 2.582 1.642 ( 0.794 -0.547 -0.134) 0.974 1.659 ( 2.118 -0.750 2.547) 3.397 1.681 ( 2.632 1.650 1.277) 3.359 1.706 ( 1.379 0.996 -2.007) 2.631 1.796 ( 0.266 0.414 -0.095) 0.501 1.810 ( 0.667 2.936 0.928) 3.151 1.870 ( -1.443 -1.274 -0.841) 2.101 1.928 ( -0.335 1.567 0.033) 1.603 1.935 ( -1.816 -3.307 0.312) 3.786 1.969 ( 2.358 -0.574 -0.589) 2.497 1.975 ( -2.082 -0.192 0.871) 2.265 2.007 ( 0.935 -0.195 -0.381) 1.028 2.060 ( -0.952 1.456 1.166) 2.094 2.097 ( 0.400 2.339 0.106) 2.375 2.169 ( -0.586 -0.318 2.021) 2.128 2.202 ( 0.773 3.791 -1.293) 4.079 2.291 ( -0.554 2.420 -1.880) 3.115 2.350 ( 2.365 -0.168 -1.321) 2.714 2.503 ( 0.124 -1.124 1.805) 2.130 2.537 ( 0.343 -1.863 -0.358) 1.928 2.565 ( -0.315 -0.811 -0.097) 0.875 2.633 ( -0.059 0.965 -1.587) 1.858 2.848 ( -0.796 -0.912 -2.525) 2.800 2.962 ( 0.682 -3.234 2.972) 4.445 3.084 ( 2.568 1.560 0.903) 3.138 3.240 ( 0.626 -0.781 0.144) 1.011 3.300 ( 2.320 1.096 -3.890) 4.660 3.355 ( 0.088 0.778 -2.217) 2.351 3.594 ( 5.152 -3.488 0.403) 6.235 3.711 ( 1.738 -2.226 -1.725) 3.309 3.908 ( -1.434 -1.420 4.655) 5.074 3.989 ( 2.979 -0.358 -3.261) 4.431 4.005 ( -6.242 -0.295 1.613) 6.453 4.147 ( -6.400 -7.768 -0.648) 10.085 4.769 ( 0.717 0.962 1.111) 1.635 4.880 ( -1.554 1.007 -1.808) 2.588 4.936 ( 3.035 2.126 3.690) 5.230 5.135 ( 4.883 3.356 -2.937) 6.613 5.418 ( -2.704 1.869 -0.291) 3.300 5.460 ( -5.754 1.644 3.067) 6.724 6.014 ( 0.005 -0.431 1.836) 1.886 6.097 ( -0.136 0.383 -0.891) 0.979 8.328 ( -0.959 0.603 1.036) 1.535 8.342 ( 1.650 1.180 -2.059) 2.890 8.570 ( -1.120 -1.541 0.423) 1.951 8.592 ( -0.274 -0.762 -0.500) 0.951 9.072 ( 0.027 1.323 -0.786) 1.539 9.091 ( -1.032 2.015 -0.282) 2.281 9.321 ( 1.278 -3.201 -0.746) 3.526 9.363 ( -0.475 -2.147 0.778) 2.332 9.642 ( 0.540 3.685 1.818) 4.145 9.789 ( 0.244 2.434 -0.018) 2.447 9.982 ( 1.416 -2.319 -1.284) 3.006 10.101 ( -1.456 -0.296 0.727) 1.654 10.239 ( -0.948 -0.250 0.253) 1.013 10.306 ( -0.375 0.583 -0.935) 1.164 10.477 ( 1.556 -2.161 0.182) 2.669 10.503 ( -0.113 -0.959 1.343) 1.654======================= Grid point 100 (50/64) =======================q-point: (-0.50 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.557 ( -5.312 0.205 3.771) 6.517 0.579 ( 6.132 -0.585 1.786) 6.414 0.584 ( -4.482 3.691 1.092) 5.907 0.632 ( 5.207 -3.098 -1.665) 6.284 0.668 ( 2.276 -1.673 -1.198) 3.068 0.697 ( 1.888 -0.093 -2.056) 2.793 0.841 ( 4.957 -0.944 -0.142) 5.048 0.846 ( -5.894 -1.184 -0.372) 6.023 0.888 ( 3.831 1.237 4.334) 5.915 0.901 ( 2.754 1.991 1.072) 3.564 0.924 ( -3.407 1.817 -1.399) 4.107 0.992 ( -4.591 -0.450 -5.199) 6.951 1.062 ( 0.101 -1.456 0.849) 1.689 1.082 ( -2.885 -1.457 -0.572) 3.283 1.155 ( 1.028 0.957 2.998) 3.311 1.173 ( -3.962 -0.337 2.320) 4.604 1.181 ( -0.210 0.158 1.200) 1.229 1.207 ( 0.149 0.451 -2.015) 2.070 1.250 ( 1.665 -2.162 -1.193) 2.979 1.258 ( 2.582 -1.210 -1.848) 3.398 1.381 ( -0.463 -2.242 2.532) 3.413 1.402 ( 0.407 -1.941 0.439) 2.031 1.433 ( 1.216 -0.744 1.065) 1.780 1.453 ( -0.684 -2.046 -0.539) 2.224 1.562 ( 2.532 2.373 2.078) 4.045 1.587 ( -2.411 -0.286 -0.756) 2.543 1.641 ( -1.543 1.213 1.205) 2.303 1.683 ( 0.082 1.531 -1.293) 2.005 1.722 ( 3.545 -0.137 -1.079) 3.708 1.727 ( -1.442 -1.355 -0.543) 2.052 1.795 ( -0.137 1.683 0.105) 1.692 1.805 ( -0.215 1.343 -0.712) 1.535 1.875 ( 1.863 -0.640 1.242) 2.329 1.896 ( -1.192 -0.838 -1.156) 1.860 1.923 ( -0.596 -0.653 1.475) 1.719 1.946 ( -0.374 -0.568 -0.321) 0.752 2.006 ( 0.549 1.867 1.619) 2.531 2.033 ( -0.629 1.413 -0.478) 1.619 2.055 ( -0.067 2.358 1.139) 2.619 2.082 ( 0.493 1.103 -1.488) 1.916 2.181 ( -0.338 -0.028 0.683) 0.763 2.201 ( 0.476 -0.532 -1.205) 1.401 2.267 ( -0.089 3.164 1.026) 3.327 2.327 ( -0.296 3.256 -3.946) 5.125 2.507 ( -1.805 -0.581 2.193) 2.899 2.541 ( 1.324 -0.855 -1.158) 1.956 2.582 ( -0.071 -1.203 2.119) 2.438 2.626 ( 0.299 -1.723 -1.890) 2.575 2.884 ( 2.851 1.484 2.456) 4.045 2.955 ( -0.985 1.261 -3.814) 4.136 3.153 ( 0.044 -0.702 6.132) 6.172 3.260 ( 0.801 -0.491 -0.322) 0.993 3.281 ( 1.619 0.653 -4.348) 4.686 3.296 ( -2.451 -0.354 -2.852) 3.777 3.656 ( -1.699 -4.019 1.895) 4.757 3.701 ( 1.579 -3.937 -2.689) 5.023 3.940 ( -2.608 -1.038 3.420) 4.425 3.962 ( 0.043 -4.653 3.305) 5.708 4.006 ( 1.646 -3.364 -2.110) 4.299 4.040 ( -0.344 -4.822 -2.964) 5.671 4.788 ( -2.077 1.600 2.851) 3.873 4.843 ( 1.299 1.245 -2.674) 3.223 5.035 ( 1.750 -0.041 3.894) 4.269 5.128 ( 0.139 -0.828 -5.331) 5.396 5.395 ( -2.624 3.384 2.534) 4.976 5.424 ( 2.248 2.915 -0.215) 3.688 6.042 ( -0.564 1.022 2.336) 2.611 6.080 ( 0.476 0.438 -1.559) 1.688 8.312 ( -2.504 0.972 1.646) 3.150 8.355 ( 2.945 0.848 -2.772) 4.132 8.561 ( -0.989 -1.552 1.200) 2.197 8.582 ( 0.479 -1.138 -0.938) 1.550 9.067 ( -0.776 2.321 0.034) 2.448 9.072 ( 0.510 2.279 -0.547) 2.399 9.338 ( -0.558 -1.998 0.166) 2.081 9.343 ( 0.079 -2.026 -0.357) 2.059 9.708 ( 2.199 2.530 3.493) 4.841 9.764 ( -1.654 2.282 -2.134) 3.535 10.028 ( -0.382 -2.380 2.079) 3.183 10.068 ( 1.026 -0.696 -1.977) 2.334 10.242 ( -0.136 0.413 1.532) 1.592 10.282 ( 0.558 0.071 -2.561) 2.622 10.497 ( -0.436 -1.894 0.948) 2.163 10.504 ( 0.015 -1.676 0.132) 1.682======================= Grid point 101 (51/64) =======================q-point: (-0.33 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.418 ( -10.367 2.784 -0.101) 10.735 0.485 ( -6.605 2.143 4.130) 8.079 0.569 ( 0.029 -0.744 -4.716) 4.774 0.694 ( 2.390 -2.849 -2.282) 4.363 0.704 ( 0.912 0.534 0.700) 1.267 0.723 ( 0.290 -0.326 -2.354) 2.394 0.799 ( -1.777 2.635 -0.086) 3.179 0.840 ( -3.690 2.320 0.158) 4.362 0.867 ( 3.254 -1.665 -3.937) 5.372 0.939 ( 1.394 1.465 0.023) 2.022 0.963 ( 1.488 0.815 1.807) 2.479 1.006 ( -0.767 0.860 -0.423) 1.228 1.051 ( 3.267 -0.467 4.178) 5.324 1.115 ( 0.362 -2.518 2.270) 3.409 1.130 ( -1.534 -1.552 1.826) 2.846 1.153 ( -0.393 0.308 -0.351) 0.610 1.197 ( -0.416 0.421 -0.431) 0.732 1.208 ( 1.222 0.278 1.160) 1.707 1.252 ( 2.817 -1.336 -1.099) 3.306 1.310 ( 2.908 -2.241 -1.986) 4.174 1.376 ( -2.899 -2.575 -0.166) 3.882 1.393 ( -0.827 -0.979 -0.340) 1.326 1.410 ( -0.457 -2.046 -0.424) 2.138 1.501 ( 2.884 -1.500 -0.742) 3.335 1.536 ( -0.531 1.741 -1.052) 2.102 1.604 ( -1.078 -1.676 0.709) 2.115 1.629 ( -1.184 2.898 1.992) 3.711 1.662 ( -1.085 -2.431 -0.311) 2.680 1.701 ( -2.468 -0.390 -0.362) 2.525 1.715 ( 0.456 2.362 -2.441) 3.427 1.796 ( -0.151 1.024 0.056) 1.037 1.818 ( 0.266 1.716 -0.158) 1.744 1.862 ( 0.270 -0.302 -0.165) 0.437 1.910 ( 1.072 -1.140 1.411) 2.107 1.943 ( 1.766 -0.964 -0.608) 2.102 1.967 ( -1.551 -0.285 -0.115) 1.581 1.974 ( -0.570 0.482 0.935) 1.197 2.009 ( -1.775 1.102 -0.180) 2.097 2.077 ( 2.176 1.069 0.241) 2.436 2.105 ( 2.045 1.991 -1.069) 3.048 2.190 ( -1.682 -0.030 -0.822) 1.873 2.205 ( 2.106 -0.044 -0.362) 2.137 2.262 ( 0.514 2.715 0.195) 2.770 2.318 ( -0.007 3.372 1.177) 3.572 2.503 ( -1.277 -0.944 2.218) 2.728 2.546 ( 0.620 0.238 -1.598) 1.730 2.579 ( -1.373 -1.730 -0.378) 2.241 2.612 ( 0.230 -0.692 0.347) 0.807 2.851 ( -2.351 2.157 -3.379) 4.647 2.968 ( 1.695 1.219 1.109) 2.364 3.151 ( -4.672 0.423 -5.562) 7.276 3.198 ( -2.618 0.353 5.410) 6.020 3.263 ( 0.322 -0.298 -1.162) 1.242 3.322 ( 1.785 -1.055 1.168) 2.380 3.584 ( -6.121 -4.692 1.347) 7.829 3.708 ( 0.345 -0.133 -1.216) 1.271 3.924 ( -2.768 -0.390 3.388) 4.392 3.978 ( 0.880 -2.031 -2.127) 3.070 4.032 ( 4.945 -2.799 -1.370) 5.845 4.116 ( 5.946 -8.200 2.208) 10.367 4.763 ( -2.720 1.705 1.478) 3.534 4.861 ( 0.926 0.107 0.772) 1.210 5.010 ( -2.708 2.207 -3.311) 4.813 5.111 ( 0.886 1.006 -1.146) 1.764 5.405 ( 1.597 4.014 1.097) 4.457 5.506 ( 6.478 2.847 -1.164) 7.171 6.034 ( -1.178 -0.559 0.355) 1.351 6.088 ( 0.885 0.674 -0.395) 1.180 8.288 ( -2.296 1.425 1.987) 3.354 8.376 ( 2.691 0.542 -2.532) 3.734 8.560 ( -0.542 -1.317 1.222) 1.877 8.592 ( 1.187 -1.160 -0.382) 1.703 9.059 ( -0.194 1.493 0.423) 1.564 9.088 ( 1.065 2.344 0.114) 2.577 9.307 ( -2.016 -2.801 0.587) 3.501 9.368 ( 1.248 -2.059 0.205) 2.417 9.692 ( -2.271 3.226 -2.920) 4.909 9.773 ( 1.122 2.188 1.775) 3.033 9.964 ( -4.234 -1.244 0.351) 4.427 10.121 ( 3.208 -1.483 -1.113) 3.706 10.245 ( -0.221 -0.584 -0.171) 0.648 10.300 ( 3.059 1.293 -0.493) 3.357 10.478 ( -1.962 -3.058 0.271) 3.643 10.516 ( 0.423 -1.172 -0.028) 1.246======================= Grid point 102 (52/64) =======================q-point: (-0.17 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.383 ( 1.806 6.234 7.745) 10.105 0.438 ( -4.578 2.799 5.256) 7.511 0.555 ( 3.324 0.276 -3.723) 4.999 0.634 ( 0.351 -1.615 -3.984) 4.313 0.723 ( -0.774 0.996 1.350) 1.847 0.738 ( 1.924 0.757 -0.202) 2.077 0.771 ( -2.573 2.870 3.371) 5.121 0.803 ( -1.999 1.852 2.762) 3.880 0.901 ( 1.518 2.859 -1.473) 3.556 0.944 ( -1.244 1.785 0.310) 2.198 0.956 ( 1.476 -0.820 0.122) 1.693 1.002 ( 1.578 1.078 -2.739) 3.340 1.097 ( -1.786 -0.781 2.696) 3.327 1.111 ( -1.594 -0.798 -2.187) 2.821 1.142 ( 2.543 0.298 -0.102) 2.562 1.202 ( 1.764 0.866 0.186) 1.974 1.223 ( 0.853 -0.952 1.759) 2.175 1.233 ( 0.915 -1.418 -0.343) 1.722 1.289 ( 2.097 0.442 -1.153) 2.433 1.311 ( 0.313 -1.299 -0.550) 1.445 1.320 ( -2.388 -1.851 -0.599) 3.080 1.371 ( 0.244 -0.572 -0.738) 0.965 1.409 ( -0.293 -2.625 0.510) 2.690 1.495 ( 0.515 -0.150 -1.978) 2.050 1.561 ( 0.634 0.620 -0.867) 1.240 1.572 ( -5.227 -2.202 0.042) 5.672 1.598 ( 0.251 -2.985 -0.658) 3.067 1.634 ( -0.627 1.453 2.227) 2.732 1.655 ( -1.016 -0.391 -2.131) 2.393 1.711 ( 1.169 2.667 -2.436) 3.797 1.796 ( 0.026 -0.076 0.420) 0.428 1.813 ( 0.200 0.635 -0.539) 0.857 1.876 ( -0.790 -1.397 -0.483) 1.676 1.901 ( -2.273 -0.163 -0.709) 2.386 1.925 ( -1.105 -1.552 1.073) 2.187 1.964 ( 0.320 -1.402 -0.746) 1.620 1.992 ( -0.170 -1.205 -0.006) 1.217 2.009 ( 0.805 -0.072 1.541) 1.740 2.085 ( -0.187 -0.447 -0.720) 0.868 2.113 ( 1.303 0.863 -3.220) 3.580 2.148 ( -1.261 2.297 1.263) 2.909 2.247 ( 3.326 3.679 -1.531) 5.191 2.282 ( -0.047 4.099 -0.528) 4.133 2.297 ( -2.666 -0.046 -0.011) 2.666 2.485 ( -1.596 -1.844 0.204) 2.447 2.526 ( -1.193 -0.341 -0.876) 1.519 2.587 ( 1.701 -1.451 0.521) 2.295 2.631 ( 0.735 1.408 1.257) 2.025 2.864 ( 3.244 -0.638 4.197) 5.343 2.975 ( 0.780 -1.849 -1.275) 2.378 3.027 ( -3.894 1.453 -1.151) 4.313 3.208 ( -1.783 1.274 2.806) 3.561 3.260 ( 0.235 0.055 -0.093) 0.258 3.343 ( -0.426 -0.818 0.223) 0.948 3.514 ( -1.947 0.702 0.293) 2.090 3.666 ( -2.947 3.642 -2.101) 5.134 3.916 ( -2.610 0.333 2.947) 3.951 3.969 ( 1.960 -0.622 -3.647) 4.186 4.126 ( 5.616 -2.344 0.284) 6.092 4.233 ( 2.571 -7.863 1.960) 8.502 4.741 ( -1.100 1.742 1.213) 2.391 4.854 ( -4.120 -1.925 1.588) 4.817 4.958 ( 1.050 6.183 -1.801) 6.525 5.086 ( 1.353 6.124 -5.621) 8.422 5.457 ( 2.231 3.354 0.948) 4.139 5.584 ( 4.016 2.181 -3.867) 5.986 6.029 ( 0.874 -2.315 -0.103) 2.477 6.086 ( -0.956 -0.458 -0.016) 1.061 8.281 ( -1.517 1.644 2.654) 3.471 8.384 ( 1.723 0.521 -3.162) 3.639 8.571 ( -0.193 -1.137 1.515) 1.903 8.605 ( 0.751 -0.985 -0.530) 1.347 9.066 ( 0.136 0.654 0.916) 1.133 9.103 ( 0.332 1.470 0.065) 1.508 9.286 ( -1.442 -3.516 1.471) 4.075 9.371 ( -0.533 -2.845 -1.493) 3.257 9.652 ( 0.957 4.249 -0.230) 4.362 9.785 ( -0.627 2.374 -0.537) 2.514 9.948 ( 0.388 -1.178 3.955) 4.145 10.138 ( 0.999 -1.268 -2.206) 2.733 10.250 ( 0.546 -1.187 0.557) 1.420 10.343 ( 2.518 1.485 -1.976) 3.529 10.427 ( -3.742 -2.172 0.433) 4.348 10.505 ( -0.981 -0.633 -1.195) 1.670======================= Grid point 103 (53/64) =======================q-point: ( 0.00 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.506 ( -2.766 2.420 3.386) 4.998 0.556 ( 1.085 5.812 0.752) 5.960 0.597 ( 2.628 -0.726 2.566) 3.745 0.673 ( 0.463 -0.122 -2.442) 2.489 0.705 ( -4.867 3.452 0.351) 5.977 0.753 ( 3.942 1.881 -2.529) 5.048 0.888 ( 3.754 -1.308 4.256) 5.824 0.923 ( -4.056 0.654 2.530) 4.825 0.926 ( 3.691 1.169 2.828) 4.795 0.969 ( 2.008 -2.182 -1.078) 3.155 0.998 ( 0.314 0.454 -2.340) 2.404 1.008 ( -3.507 2.165 -0.107) 4.123 1.024 ( -0.185 0.427 -2.981) 3.018 1.061 ( -0.620 -0.734 -1.201) 1.538 1.139 ( -0.966 -2.783 1.103) 3.146 1.176 ( 0.562 -0.876 -1.720) 2.011 1.218 ( 1.722 0.852 0.496) 1.984 1.242 ( -0.023 1.103 -0.972) 1.471 1.283 ( -0.982 0.277 1.072) 1.480 1.309 ( 0.935 -0.417 -1.644) 1.937 1.333 ( 1.798 -2.640 2.026) 3.783 1.364 ( -0.347 -2.263 -0.750) 2.409 1.421 ( -3.052 -0.454 1.025) 3.251 1.428 ( 1.688 -0.477 0.449) 1.811 1.513 ( 1.627 0.015 2.346) 2.855 1.544 ( 0.074 -0.097 -1.326) 1.332 1.596 ( -0.632 1.838 0.349) 1.974 1.608 ( -1.252 2.789 -1.528) 3.418 1.728 ( 0.542 5.239 0.784) 5.325 1.759 ( -0.265 2.722 -2.165) 3.488 1.790 ( -0.472 0.111 0.250) 0.546 1.802 ( 0.358 0.173 -0.953) 1.032 1.831 ( -0.651 -2.472 0.412) 2.590 1.842 ( -1.483 -0.506 -0.540) 1.657 1.864 ( 0.242 -1.906 0.235) 1.935 1.888 ( 0.190 -1.102 -2.096) 2.375 2.006 ( -0.334 -1.437 2.050) 2.526 2.011 ( -1.644 -1.421 0.900) 2.352 2.012 ( 1.435 -1.653 -0.291) 2.208 2.070 ( -0.104 -1.124 -3.197) 3.390 2.186 ( 0.262 -2.193 0.967) 2.411 2.197 ( -0.473 -3.462 -0.113) 3.496 2.377 ( -0.230 5.122 1.193) 5.264 2.405 ( 0.285 3.887 -1.466) 4.163 2.455 ( 0.655 1.503 0.922) 1.881 2.478 ( -0.783 -0.602 -1.152) 1.517 2.592 ( 0.039 -1.748 2.441) 3.003 2.631 ( 0.515 -1.767 -1.267) 2.235 2.934 ( -2.268 -0.895 0.851) 2.582 2.956 ( 2.871 -0.744 -0.950) 3.114 3.035 ( 4.851 0.144 3.062) 5.738 3.110 ( -5.044 -3.171 -3.830) 7.082 3.275 ( 0.444 0.064 0.486) 0.662 3.289 ( 0.108 -0.600 -0.880) 1.071 3.667 ( 1.863 4.544 -1.186) 5.052 3.675 ( -0.599 3.995 -2.000) 4.507 3.922 ( -1.637 1.215 1.737) 2.678 3.958 ( 1.690 -0.424 -1.918) 2.591 4.162 ( 0.923 -2.150 2.114) 3.153 4.168 ( -1.738 -2.184 1.770) 3.304 4.774 ( -1.322 0.116 0.782) 1.540 4.788 ( 0.778 -0.319 -0.538) 0.998 5.077 ( -1.930 4.752 3.542) 6.233 5.151 ( 2.058 1.726 -3.236) 4.205 5.570 ( 1.665 3.691 -1.249) 4.237 5.591 ( -2.098 2.151 -2.985) 4.236 6.000 ( -2.118 -2.285 0.757) 3.206 6.014 ( 2.118 -2.872 -0.633) 3.624 8.338 ( -0.603 2.308 2.229) 3.265 8.384 ( 0.823 0.709 -2.483) 2.710 8.555 ( -0.483 -1.294 1.204) 1.832 8.576 ( 0.296 -1.704 -0.857) 1.930 9.098 ( 0.132 0.844 1.247) 1.512 9.121 ( 0.194 0.754 -1.067) 1.321 9.228 ( -0.409 -2.200 2.191) 3.132 9.269 ( -0.179 -3.042 -1.956) 3.621 9.783 ( 2.154 3.436 1.001) 4.178 9.804 ( -1.745 2.710 -1.174) 3.431 10.002 ( 0.936 -0.913 3.935) 4.147 10.062 ( -0.749 -2.566 -2.110) 3.406 10.264 ( 0.629 -0.072 1.054) 1.230 10.299 ( -0.247 -1.290 -2.138) 2.509 10.429 ( 0.399 0.392 0.644) 0.853 10.450 ( -1.021 -0.568 -1.293) 1.743======================= Grid point 104 (54/64) =======================q-point: ( 0.17 0.33 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( -2.108 4.172 2.038) 5.099 0.575 ( -0.270 4.783 -0.753) 4.850 0.619 ( -2.050 1.620 -0.736) 2.714 0.620 ( -0.075 2.106 -4.305) 4.793 0.683 ( 0.799 -1.837 2.254) 3.016 0.760 ( -2.945 2.344 -2.133) 4.327 0.789 ( -5.993 -2.545 3.229) 7.267 0.847 ( -4.446 -0.746 -3.957) 5.999 0.952 ( 0.843 0.965 -0.306) 1.318 0.962 ( 0.282 0.803 -0.977) 1.296 1.009 ( 0.467 1.597 0.919) 1.900 1.052 ( 2.569 0.963 -1.938) 3.359 1.080 ( 3.403 1.625 0.450) 3.798 1.100 ( 4.034 -2.617 2.474) 5.407 1.121 ( -1.973 -3.045 1.256) 3.840 1.173 ( 0.583 -0.246 -0.602) 0.873 1.209 ( -0.800 0.481 -2.413) 2.587 1.234 ( -0.318 0.445 0.084) 0.553 1.274 ( -1.897 -0.872 0.972) 2.303 1.285 ( -3.909 -2.727 -1.918) 5.137 1.320 ( 0.777 -0.647 -0.849) 1.320 1.354 ( -2.260 0.770 1.137) 2.644 1.383 ( -2.162 -1.334 -0.874) 2.687 1.454 ( 0.862 -2.451 0.133) 2.601 1.534 ( 1.610 0.883 -0.583) 1.927 1.558 ( 1.767 0.557 0.161) 1.860 1.597 ( 2.456 2.784 0.435) 3.737 1.650 ( 1.605 3.440 0.216) 3.802 1.710 ( -1.373 3.138 0.270) 3.436 1.752 ( 0.254 3.737 0.565) 3.788 1.787 ( -1.072 -1.630 0.336) 1.979 1.802 ( 0.499 -1.108 0.658) 1.382 1.832 ( 1.266 -0.357 0.173) 1.326 1.865 ( 2.093 -1.152 1.754) 2.964 1.887 ( 1.399 -2.947 -0.015) 3.263 1.915 ( 2.700 0.420 0.513) 2.780 1.978 ( -0.647 -1.112 -0.101) 1.291 2.030 ( -0.883 -0.782 1.689) 2.060 2.047 ( 2.823 -0.479 0.116) 2.866 2.055 ( 1.383 -1.470 -0.593) 2.104 2.177 ( -0.772 -1.556 -0.111) 1.741 2.213 ( 0.802 -3.603 0.451) 3.718 2.379 ( -1.164 6.641 0.114) 6.743 2.389 ( -0.350 2.847 -1.587) 3.278 2.447 ( -0.570 -2.315 0.929) 2.559 2.477 ( 0.027 1.398 0.939) 1.684 2.577 ( -1.843 -1.526 -0.931) 2.568 2.647 ( 1.390 -2.121 -0.448) 2.575 2.884 ( -2.992 -1.506 2.090) 3.948 2.935 ( -4.026 -2.698 -4.856) 6.861 3.045 ( 3.830 3.035 0.634) 4.928 3.177 ( 3.949 -2.075 1.966) 4.875 3.284 ( 1.382 -0.218 -1.047) 1.748 3.315 ( 2.973 -2.323 -0.160) 3.776 3.591 ( -3.240 4.885 -1.091) 5.962 3.697 ( -0.196 0.495 -0.381) 0.655 3.913 ( -2.003 1.452 2.172) 3.292 3.968 ( 1.909 -0.569 -2.124) 2.912 4.105 ( -5.676 -0.779 0.087) 5.730 4.141 ( -4.863 -3.419 0.327) 5.954 4.765 ( 0.022 0.848 0.910) 1.244 4.820 ( 2.007 -1.623 -0.089) 2.582 5.059 ( -3.250 5.288 1.900) 6.491 5.156 ( 2.149 1.335 -2.346) 3.450 5.512 ( -4.014 1.785 -0.075) 4.394 5.554 ( -3.897 1.682 1.693) 4.570 5.982 ( 0.413 -0.337 0.627) 0.823 6.064 ( 2.837 -2.331 -0.522) 3.708 8.351 ( -0.905 1.591 1.881) 2.625 8.370 ( 0.979 1.193 -2.279) 2.752 8.554 ( -1.070 -1.402 0.712) 1.902 8.572 ( 0.207 -1.617 -0.485) 1.701 9.106 ( 0.430 1.533 -0.520) 1.675 9.127 ( 1.018 1.143 0.076) 1.532 9.249 ( 0.627 -2.462 -0.715) 2.639 9.268 ( 1.205 -3.277 1.522) 3.809 9.747 ( -2.355 3.905 -0.851) 4.639 9.827 ( 1.345 2.186 0.455) 2.607 9.982 ( -2.851 -0.826 -1.161) 3.187 10.075 ( 1.226 -1.970 0.469) 2.368 10.258 ( -0.824 -0.032 -1.226) 1.477 10.294 ( 0.343 -1.512 0.887) 1.786 10.434 ( 0.589 0.084 -0.668) 0.895 10.456 ( 0.749 -0.781 1.671) 1.991======================= Grid point 105 (55/64) =======================q-point: ( 0.33 0.33 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.471 ( -1.217 2.828 1.517) 3.433 0.564 ( -0.096 2.619 -0.431) 2.656 0.579 ( 0.732 0.918 1.323) 1.768 0.614 ( 2.040 1.722 -2.182) 3.448 0.676 ( -1.637 -2.113 -0.356) 2.697 0.706 ( 0.603 0.160 0.266) 0.678 0.762 ( -2.987 0.223 2.225) 3.732 0.800 ( 1.087 -0.737 0.230) 1.334 0.938 ( -2.426 1.224 -1.245) 2.989 0.976 ( 1.884 -0.105 -1.441) 2.375 1.002 ( -2.036 1.526 0.200) 2.552 1.048 ( 0.033 1.251 -0.799) 1.484 1.088 ( -0.641 -1.220 -1.410) 1.972 1.127 ( -0.948 -0.600 -0.746) 1.347 1.136 ( 1.434 -1.293 -2.240) 2.957 1.177 ( -0.434 -2.636 0.114) 2.674 1.190 ( -2.535 1.255 -2.449) 3.741 1.207 ( 1.160 -0.761 0.523) 1.483 1.215 ( -2.308 0.186 1.786) 2.924 1.257 ( -1.085 0.958 0.313) 1.481 1.298 ( -0.639 -2.792 0.942) 3.016 1.339 ( -0.499 -1.290 -0.711) 1.555 1.358 ( 0.333 -0.339 2.129) 2.181 1.462 ( 0.458 -2.258 -1.036) 2.526 1.568 ( 0.197 1.186 2.183) 2.492 1.612 ( 4.106 3.254 -1.221) 5.380 1.621 ( 1.028 -0.141 -0.975) 1.423 1.670 ( 0.148 2.009 1.576) 2.557 1.723 ( 1.443 1.672 0.300) 2.229 1.746 ( -1.135 2.128 1.317) 2.748 1.795 ( 0.437 0.038 1.127) 1.210 1.823 ( -0.066 -3.139 0.339) 3.158 1.866 ( 1.798 0.622 0.422) 1.949 1.876 ( -0.195 -1.373 0.175) 1.398 1.925 ( 0.542 -1.813 -0.349) 1.925 1.962 ( 1.361 1.140 -0.125) 1.779 1.984 ( 1.714 0.259 -0.675) 1.861 2.028 ( -1.237 2.156 1.623) 2.969 2.061 ( 0.345 -1.037 0.326) 1.140 2.136 ( 1.388 1.069 -0.180) 1.762 2.159 ( 1.428 -0.832 0.863) 1.865 2.227 ( 0.347 -3.393 -0.549) 3.455 2.322 ( -2.637 1.281 -1.528) 3.306 2.371 ( 0.398 4.015 -0.820) 4.117 2.473 ( 0.147 -3.828 2.290) 4.463 2.505 ( 0.905 0.437 1.556) 1.852 2.537 ( -1.157 -0.964 0.245) 1.526 2.644 ( -0.395 -1.228 -1.872) 2.274 2.850 ( 0.205 1.424 0.770) 1.632 2.912 ( 0.419 -1.545 3.738) 4.067 3.117 ( 2.527 2.170 0.602) 3.385 3.227 ( 0.951 -0.630 0.708) 1.343 3.295 ( 1.312 -0.910 -1.651) 2.297 3.343 ( 1.773 -3.149 -4.861) 6.057 3.556 ( 1.117 0.951 -1.065) 1.813 3.658 ( -3.715 -2.502 0.210) 4.484 3.897 ( -3.507 0.407 3.123) 4.713 3.969 ( -0.077 -1.845 -1.466) 2.357 3.999 ( -4.360 -0.314 -0.870) 4.457 4.026 ( -4.785 -3.219 -2.112) 6.142 4.788 ( 0.794 0.752 1.067) 1.527 4.842 ( 0.821 -2.021 -0.721) 2.297 5.035 ( -1.033 4.655 1.517) 5.004 5.157 ( 0.717 -0.854 -2.610) 2.838 5.454 ( -2.484 1.297 0.966) 2.964 5.487 ( -5.700 0.470 2.874) 6.401 6.022 ( 2.253 1.303 1.095) 2.824 6.092 ( 0.776 -0.973 -0.462) 1.328 8.348 ( -0.931 1.238 0.889) 1.786 8.368 ( 1.124 1.038 -1.531) 2.164 8.537 ( -1.311 -1.241 0.470) 1.865 8.565 ( -0.293 -1.684 -0.734) 1.860 9.114 ( 1.259 2.519 -0.734) 2.910 9.142 ( 0.090 2.640 0.280) 2.656 9.256 ( 1.425 -2.839 -0.701) 3.253 9.303 ( 0.079 -3.383 0.985) 3.524 9.727 ( -0.037 4.217 1.702) 4.548 9.849 ( 0.926 1.882 -0.059) 2.099 9.934 ( -0.756 -0.856 -0.361) 1.198 10.074 ( -0.987 -2.588 -0.903) 2.913 10.242 ( 0.030 0.619 -0.073) 0.624 10.300 ( -0.544 -1.307 0.105) 1.420 10.445 ( 1.048 -0.483 -0.365) 1.211 10.477 ( -0.414 -1.312 0.932) 1.662======================= Grid point 106 (56/64) =======================q-point: (-0.50 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.520 ( 1.768 -1.800 2.774) 3.750 0.547 ( -1.980 -2.348 0.357) 3.092 0.607 ( 1.538 1.094 -1.113) 2.191 0.632 ( 2.345 0.695 -3.090) 3.941 0.702 ( 0.443 2.462 2.001) 3.203 0.718 ( -1.233 -1.050 0.236) 1.637 0.788 ( 6.952 0.326 0.486) 6.976 0.808 ( -3.236 -0.111 -1.415) 3.534 0.899 ( 3.173 -0.344 3.586) 4.800 0.958 ( -3.269 2.146 0.533) 3.946 0.977 ( -0.727 0.950 -2.183) 2.489 0.995 ( -4.632 -0.083 -3.047) 5.545 1.045 ( -0.669 -0.160 0.305) 0.752 1.072 ( 0.062 -0.016 -1.512) 1.513 1.133 ( -4.058 -1.683 2.107) 4.872 1.169 ( 2.847 -1.571 -1.342) 3.517 1.185 ( 0.234 1.145 1.257) 1.717 1.216 ( 0.243 0.451 -1.003) 1.126 1.218 ( 0.602 0.312 0.807) 1.054 1.243 ( 1.095 0.035 -1.727) 2.045 1.317 ( 0.484 -3.592 1.100) 3.787 1.335 ( 0.413 -3.640 -0.819) 3.754 1.415 ( 2.332 0.332 1.668) 2.886 1.444 ( -0.900 0.185 -1.423) 1.694 1.593 ( -1.303 0.822 2.328) 2.791 1.622 ( 0.447 1.034 -0.562) 1.259 1.656 ( 0.863 2.293 1.426) 2.835 1.685 ( -0.120 0.423 -1.288) 1.361 1.743 ( 0.185 1.767 1.010) 2.044 1.754 ( 0.378 1.512 0.211) 1.573 1.801 ( -0.197 -1.727 0.472) 1.801 1.820 ( 0.293 -0.239 -1.757) 1.797 1.872 ( 0.236 0.439 1.534) 1.613 1.902 ( -0.486 -0.349 1.355) 1.481 1.903 ( -1.205 -0.465 -1.395) 1.901 1.932 ( -0.170 0.182 -1.591) 1.610 2.022 ( 0.717 -1.160 1.516) 2.039 2.036 ( -1.451 0.744 0.792) 1.812 2.086 ( 0.940 0.157 0.480) 1.068 2.105 ( 0.324 1.506 -0.968) 1.819 2.185 ( 0.481 -0.326 -0.603) 0.837 2.199 ( -1.394 -0.199 -1.452) 2.022 2.325 ( -0.331 1.982 2.508) 3.213 2.367 ( 0.507 1.452 -1.580) 2.205 2.494 ( -0.906 -1.708 1.937) 2.737 2.501 ( 0.082 -3.284 0.487) 3.321 2.566 ( 0.979 0.054 1.092) 1.468 2.601 ( -0.548 0.384 -2.392) 2.484 2.927 ( 2.437 2.387 4.235) 5.438 2.975 ( 1.816 0.473 0.419) 1.923 3.147 ( -0.553 0.247 2.923) 2.986 3.245 ( -0.753 -2.547 -0.078) 2.657 3.260 ( -1.168 -1.077 -5.550) 5.773 3.285 ( 0.809 -0.794 -3.108) 3.308 3.582 ( -3.194 -2.191 0.122) 3.875 3.604 ( 4.821 -3.659 -1.981) 6.368 3.877 ( -1.794 -1.831 3.683) 4.487 3.913 ( -2.590 -3.231 0.753) 4.209 3.951 ( -0.655 -0.045 -0.254) 0.704 3.989 ( 2.063 -1.450 -3.155) 4.039 4.805 ( -1.033 0.236 1.718) 2.018 4.837 ( 0.458 -1.178 -1.372) 1.865 5.062 ( 1.164 1.942 2.175) 3.139 5.115 ( -1.061 -0.500 -3.089) 3.305 5.445 ( -1.387 1.311 1.738) 2.581 5.461 ( 2.206 0.563 0.296) 2.296 6.065 ( 0.039 1.042 1.261) 1.636 6.086 ( 0.168 0.078 -0.921) 0.939 8.340 ( -1.584 1.610 1.381) 2.647 8.374 ( 1.944 0.701 -2.105) 2.950 8.527 ( -0.887 -1.383 1.216) 2.044 8.550 ( 0.350 -1.756 -1.176) 2.142 9.129 ( -0.886 3.476 0.129) 3.589 9.134 ( 0.788 3.396 -0.337) 3.502 9.284 ( 0.870 -3.048 0.243) 3.179 9.288 ( -1.196 -3.218 -0.151) 3.436 9.777 ( 1.605 3.914 3.199) 5.304 9.833 ( -1.067 4.089 -2.447) 4.883 9.963 ( 0.287 -3.622 3.224) 4.858 10.028 ( -0.180 -3.229 -3.173) 4.531 10.256 ( 0.365 0.846 1.079) 1.419 10.282 ( 0.143 -0.149 -1.538) 1.551 10.459 ( -0.480 -1.361 0.645) 1.581 10.468 ( 0.012 -1.514 -0.193) 1.526======================= Grid point 107 (57/64) =======================q-point: (-0.33 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.501 ( -1.421 4.730 -0.635) 4.980 0.561 ( -0.920 3.013 0.555) 3.199 0.588 ( -0.671 3.105 -2.025) 3.767 0.623 ( -0.605 -2.339 -1.434) 2.810 0.673 ( 0.506 -2.626 -0.740) 2.774 0.727 ( 1.651 0.692 -1.201) 2.155 0.805 ( 0.266 -1.549 -1.798) 2.388 0.828 ( 0.076 -1.844 -2.751) 3.313 0.909 ( -1.945 2.253 1.396) 3.288 0.948 ( 2.481 -1.418 0.892) 2.994 0.986 ( 2.494 0.187 2.085) 3.257 1.025 ( -1.101 0.508 2.225) 2.533 1.046 ( 0.992 0.609 3.410) 3.603 1.077 ( 2.047 -0.373 -0.332) 2.107 1.109 ( -0.213 0.182 2.156) 2.174 1.171 ( -1.391 1.835 -0.838) 2.450 1.198 ( 0.759 -1.569 -0.183) 1.752 1.216 ( 0.590 0.610 -0.185) 0.869 1.239 ( 1.487 0.397 -0.590) 1.648 1.265 ( 2.638 -1.060 -1.345) 3.145 1.316 ( -0.806 -2.833 -0.745) 3.038 1.340 ( 1.029 -3.080 -0.636) 3.309 1.402 ( -0.788 0.145 -1.842) 2.008 1.457 ( 1.265 -2.022 -0.229) 2.397 1.584 ( -1.087 1.375 1.511) 2.314 1.589 ( -4.165 0.847 0.043) 4.250 1.627 ( -2.705 0.458 -1.385) 3.073 1.690 ( 1.121 1.811 -0.263) 2.146 1.724 ( -1.982 3.236 -0.055) 3.795 1.773 ( 1.498 1.676 -1.040) 2.477 1.811 ( 0.493 -0.643 0.027) 0.811 1.819 ( 0.079 -0.323 -0.060) 0.338 1.872 ( -2.127 -0.056 0.321) 2.152 1.879 ( 0.226 -0.460 -0.225) 0.560 1.907 ( 0.984 -2.751 1.417) 3.247 1.950 ( 0.226 -0.250 0.527) 0.625 1.978 ( -3.737 -0.467 -0.096) 3.768 2.035 ( -1.421 0.194 1.099) 1.807 2.085 ( 1.277 0.562 -1.329) 1.927 2.135 ( 1.314 0.893 -0.317) 1.620 2.168 ( -1.298 -1.214 -0.164) 1.785 2.209 ( 0.099 -2.011 0.712) 2.135 2.302 ( 0.365 1.786 0.997) 2.078 2.365 ( -0.972 3.173 -0.232) 3.326 2.483 ( -0.742 -3.190 0.510) 3.315 2.523 ( 0.070 -2.708 -0.339) 2.730 2.574 ( -0.179 1.484 -1.979) 2.480 2.601 ( 1.283 0.477 1.846) 2.298 2.908 ( -2.223 2.882 -4.200) 5.557 2.976 ( -0.261 -0.347 -2.732) 2.766 3.148 ( -2.698 -0.199 -2.892) 3.961 3.200 ( -1.551 -0.967 6.368) 6.625 3.257 ( 0.633 -0.176 -0.742) 0.992 3.287 ( 1.162 -1.963 0.254) 2.295 3.550 ( 0.939 1.873 -0.487) 2.151 3.683 ( 5.302 -2.143 -2.371) 6.191 3.916 ( -0.750 -0.474 3.041) 3.168 3.939 ( 2.053 -2.137 2.666) 3.986 3.963 ( 3.427 -1.960 0.157) 3.951 4.006 ( 3.625 -3.002 -0.746) 4.766 4.791 ( -1.774 0.921 0.842) 2.169 4.833 ( -0.334 -1.714 0.073) 1.747 5.065 ( -0.664 2.398 -1.421) 2.865 5.115 ( 1.476 -0.249 1.430) 2.070 5.472 ( 3.281 2.255 -0.555) 4.019 5.536 ( 6.515 -0.222 -1.678) 6.731 6.039 ( -2.358 0.930 -0.360) 2.560 6.087 ( -0.455 -0.728 -0.150) 0.871 8.327 ( -1.442 2.221 1.436) 3.012 8.386 ( 1.888 0.156 -1.858) 2.653 8.531 ( -0.160 -1.151 1.143) 1.631 8.559 ( 1.336 -1.809 -0.298) 2.269 9.102 ( -1.571 2.587 0.320) 3.043 9.147 ( 0.243 3.078 -0.190) 3.093 9.243 ( -2.439 -2.933 0.530) 3.851 9.311 ( 0.655 -3.248 0.073) 3.314 9.772 ( -1.356 4.031 -2.609) 4.989 9.838 ( 1.010 3.745 1.367) 4.113 9.927 ( -2.977 -1.979 0.229) 3.582 10.062 ( 2.720 -4.212 0.212) 5.019 10.247 ( -0.431 0.814 -0.624) 1.112 10.306 ( 2.421 -0.926 -0.422) 2.626 10.436 ( -1.623 -0.376 0.526) 1.747 10.486 ( 0.803 -1.658 0.090) 1.844======================= Grid point 108 (58/64) =======================q-point: (-0.17 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.503 ( 0.032 4.414 4.122) 6.039 0.529 ( -0.214 0.585 -2.132) 2.222 0.555 ( -2.035 5.593 2.529) 6.466 0.670 ( 4.612 1.062 -3.474) 5.871 0.689 ( 3.170 0.901 0.832) 3.399 0.748 ( 1.785 -0.618 2.323) 2.994 0.769 ( -1.094 -1.275 -0.095) 1.682 0.868 ( 1.667 -0.731 -1.366) 2.276 0.915 ( 2.768 0.410 0.233) 2.808 0.949 ( -0.729 -0.717 0.813) 1.307 1.006 ( -2.629 3.350 2.275) 4.828 1.034 ( 1.764 0.371 -1.337) 2.244 1.084 ( -2.054 0.613 1.834) 2.821 1.100 ( -2.267 -1.451 0.421) 2.724 1.140 ( 2.232 0.310 -0.119) 2.257 1.177 ( 1.442 -2.596 -0.153) 2.973 1.199 ( -0.424 -0.663 -1.523) 1.714 1.226 ( 1.873 0.677 1.123) 2.287 1.259 ( 2.076 -2.093 -0.328) 2.966 1.291 ( 0.398 -0.945 -0.913) 1.373 1.303 ( 0.533 0.134 1.022) 1.161 1.362 ( 1.558 -1.928 0.374) 2.507 1.387 ( 1.204 0.908 -0.921) 1.767 1.458 ( -0.897 -3.458 -0.380) 3.593 1.515 ( -3.644 0.198 0.864) 3.750 1.568 ( -2.018 0.107 -0.804) 2.175 1.596 ( -0.016 1.636 0.847) 1.842 1.662 ( -1.606 1.810 -1.132) 2.671 1.717 ( 0.321 5.019 -0.365) 5.043 1.778 ( 0.153 2.975 -1.499) 3.335 1.795 ( 0.798 -0.106 -0.618) 1.015 1.826 ( -1.270 -1.941 -1.396) 2.707 1.832 ( -1.112 -0.564 0.175) 1.259 1.884 ( -0.534 -2.068 0.240) 2.149 1.893 ( -2.353 -0.800 -0.837) 2.622 1.933 ( -1.850 -0.130 -1.001) 2.107 1.957 ( 0.726 -1.386 1.543) 2.197 2.021 ( -1.211 0.076 0.738) 1.420 2.068 ( -3.817 -0.631 -1.397) 4.113 2.099 ( 1.068 -1.604 -2.972) 3.542 2.162 ( 0.246 -1.176 1.470) 1.899 2.218 ( -0.952 -4.640 0.178) 4.740 2.357 ( 1.494 3.027 1.090) 3.548 2.376 ( 2.914 5.664 0.744) 6.413 2.458 ( -1.574 -1.156 -0.669) 2.065 2.505 ( -0.933 -1.393 -0.730) 1.829 2.562 ( 0.799 -0.384 -0.053) 0.888 2.632 ( -0.081 -1.608 1.194) 2.005 2.875 ( 2.607 1.077 -0.002) 2.820 2.937 ( 0.517 -1.718 -2.370) 2.972 3.064 ( -3.869 2.865 -1.554) 5.059 3.201 ( -2.722 -1.708 0.658) 3.280 3.264 ( 0.239 0.282 0.257) 0.450 3.304 ( -0.586 -2.382 0.597) 2.525 3.597 ( 5.053 5.728 -1.656) 7.816 3.716 ( 1.234 0.962 -2.339) 2.814 3.927 ( -1.300 0.663 2.120) 2.574 3.955 ( 1.242 -0.641 -1.891) 2.351 4.074 ( 4.746 -2.022 2.759) 5.850 4.115 ( 4.189 -3.905 3.013) 6.471 4.773 ( -0.620 1.186 0.183) 1.350 4.817 ( -1.800 -1.510 0.184) 2.356 5.060 ( -0.010 4.010 1.322) 4.222 5.146 ( 1.397 0.288 -0.715) 1.596 5.531 ( 4.480 3.285 -2.065) 5.927 5.618 ( 4.838 0.365 -4.102) 6.353 5.995 ( -1.077 -0.597 -0.582) 1.362 6.057 ( -2.764 -2.118 0.109) 3.484 8.326 ( -0.890 2.514 1.869) 3.257 8.393 ( 1.335 0.078 -2.070) 2.464 8.545 ( 0.033 -1.002 1.152) 1.527 8.576 ( 0.752 -1.724 -0.484) 1.942 9.088 ( -0.747 1.420 0.947) 1.863 9.135 ( -0.689 1.123 -0.533) 1.421 9.222 ( -1.315 -1.882 1.514) 2.750 9.302 ( -0.808 -3.463 -1.294) 3.784 9.744 ( 0.959 4.167 -0.636) 4.323 9.835 ( -0.817 1.444 -0.477) 1.726 9.934 ( 0.807 0.714 3.167) 3.345 10.087 ( 0.180 -3.627 -0.386) 3.652 10.244 ( 0.589 0.664 -0.062) 0.890 10.323 ( 0.533 -2.525 -1.608) 3.041 10.424 ( -0.364 1.314 0.381) 1.416 10.484 ( -0.603 -1.307 -0.993) 1.749======================= Grid point 109 (59/64) =======================q-point: ( 0.00 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.555 ( -0.159 -2.434 2.502) 3.494 0.555 ( -0.159 2.434 2.502) 3.494 0.663 ( 0.503 -3.141 -1.034) 3.345 0.663 ( 0.503 3.141 -1.034) 3.345 0.766 ( -1.587 -2.813 2.687) 4.201 0.766 ( -1.587 2.813 2.687) 4.201 0.880 ( 4.731 -3.900 -1.829) 6.399 0.880 ( 4.731 3.900 -1.829) 6.399 0.938 ( -1.032 -0.981 2.513) 2.888 0.938 ( -1.032 0.981 2.513) 2.888 1.015 ( -0.726 -0.616 -3.948) 4.062 1.015 ( -0.726 0.616 -3.948) 4.062 1.053 ( -1.430 -1.180 1.769) 2.563 1.053 ( -1.430 1.180 1.769) 2.563 1.121 ( 1.252 -1.811 -1.627) 2.738 1.121 ( 1.252 1.811 -1.627) 2.738 1.268 ( 2.143 -2.270 0.193) 3.128 1.268 ( 2.143 2.270 0.193) 3.128 1.277 ( 0.057 -1.192 0.358) 1.246 1.277 ( 0.057 1.192 0.358) 1.246 1.310 ( -0.599 -1.191 -0.700) 1.505 1.310 ( -0.599 1.191 -0.700) 1.505 1.418 ( -0.735 -0.194 1.082) 1.322 1.418 ( -0.735 0.194 1.082) 1.322 1.536 ( 0.153 -1.048 0.359) 1.118 1.536 ( 0.153 1.048 0.359) 1.118 1.643 ( -0.343 -1.312 0.196) 1.370 1.643 ( -0.343 1.312 0.196) 1.370 1.760 ( -0.012 -0.364 -0.611) 0.711 1.760 ( -0.012 0.364 -0.611) 0.711 1.810 ( -0.026 -0.718 0.030) 0.719 1.810 ( -0.026 0.718 0.030) 0.719 1.845 ( -1.494 -1.390 0.382) 2.076 1.845 ( -1.494 1.390 0.382) 2.076 1.861 ( 0.717 -2.107 -1.256) 2.556 1.861 ( 0.717 2.107 -1.256) 2.556 1.987 ( -1.710 -0.840 1.478) 2.412 1.987 ( -1.710 0.840 1.478) 2.412 2.026 ( 1.066 -2.822 -1.994) 3.616 2.026 ( 1.066 2.822 -1.994) 3.616 2.144 ( -0.017 -0.260 0.296) 0.394 2.144 ( -0.017 0.260 0.296) 0.394 2.427 ( -0.224 -0.828 -0.058) 0.859 2.427 ( -0.224 0.828 -0.058) 0.859 2.497 ( 0.287 -1.107 1.139) 1.614 2.497 ( 0.287 1.107 1.139) 1.614 2.581 ( 0.159 -2.033 -0.178) 2.047 2.581 ( 0.159 2.033 -0.178) 2.047 2.931 ( 2.093 -0.865 -0.846) 2.417 2.931 ( 2.093 0.865 -0.846) 2.417 3.061 ( -2.070 -1.742 -0.793) 2.819 3.061 ( -2.070 1.742 -0.793) 2.819 3.280 ( 0.346 -0.366 -0.129) 0.520 3.280 ( 0.346 0.366 -0.129) 0.520 3.718 ( 0.307 -0.125 -1.549) 1.585 3.718 ( 0.307 0.125 -1.549) 1.585 3.945 ( 0.305 -0.896 -0.102) 0.952 3.945 ( 0.305 0.896 -0.102) 0.952 4.141 ( -0.342 -0.226 2.192) 2.230 4.141 ( -0.342 0.226 2.192) 2.230 4.779 ( -0.144 -0.428 -0.248) 0.515 4.779 ( -0.144 0.428 -0.248) 0.515 5.146 ( -0.308 -1.863 1.400) 2.351 5.146 ( -0.308 1.863 1.400) 2.351 5.617 ( -0.087 -0.397 -2.287) 2.323 5.617 ( -0.087 0.397 -2.287) 2.323 5.974 ( 0.140 -0.365 -0.055) 0.394 5.974 ( 0.140 0.365 -0.055) 0.394 8.380 ( -0.005 -1.346 0.202) 1.361 8.380 ( -0.005 1.346 0.202) 1.361 8.547 ( -0.009 -0.683 -0.147) 0.698 8.547 ( -0.009 0.683 -0.147) 0.698 9.118 ( 0.224 -0.909 0.431) 1.031 9.118 ( 0.224 0.909 0.431) 1.031 9.220 ( -0.402 -1.370 -0.201) 1.442 9.220 ( -0.402 1.370 -0.201) 1.442 9.830 ( 0.504 -0.691 0.072) 0.858 9.830 ( 0.504 0.691 0.072) 0.858 10.011 ( -0.246 -1.867 1.003) 2.134 10.011 ( -0.246 1.867 1.003) 2.134 10.273 ( 0.357 -0.966 -0.760) 1.280 10.273 ( 0.357 0.966 -0.760) 1.280 10.438 ( -0.402 -0.506 -0.417) 0.769 10.438 ( -0.402 0.506 -0.417) 0.769======================= Grid point 111 (60/64) =======================q-point: ( 0.17 -0.50 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.577 ( -0.100 -3.225 -0.530) 3.270 0.577 ( -0.100 3.225 -0.530) 3.270 0.662 ( 0.359 -2.217 0.112) 2.249 0.662 ( 0.359 2.217 0.112) 2.249 0.710 ( -5.513 -4.932 0.402) 7.408 0.710 ( -5.513 4.932 0.402) 7.408 0.812 ( -3.015 -2.053 -2.860) 4.635 0.812 ( -3.015 2.053 -2.860) 4.635 0.969 ( 0.238 -0.420 -0.543) 0.726 0.969 ( 0.238 0.420 -0.543) 0.726 1.035 ( 0.648 -1.950 1.138) 2.349 1.035 ( 0.648 1.950 1.138) 2.349 1.066 ( 2.952 -0.653 0.352) 3.044 1.066 ( 2.952 0.653 0.352) 3.044 1.132 ( 1.191 -1.981 -0.314) 2.333 1.132 ( 1.191 1.981 -0.314) 2.333 1.229 ( -2.396 -1.239 -1.898) 3.299 1.229 ( -2.396 1.239 -1.898) 3.299 1.277 ( -0.705 -1.266 -0.801) 1.655 1.277 ( -0.705 1.266 -0.801) 1.655 1.314 ( -0.351 -2.214 0.273) 2.258 1.314 ( -0.351 2.214 0.273) 2.258 1.402 ( -1.382 -2.036 0.051) 2.461 1.402 ( -1.382 2.036 0.051) 2.461 1.562 ( 1.937 -0.794 0.120) 2.096 1.562 ( 1.937 0.794 0.120) 2.096 1.670 ( 2.433 -3.248 0.229) 4.065 1.670 ( 2.433 3.248 0.229) 4.065 1.758 ( -0.787 -0.503 0.659) 1.143 1.758 ( -0.787 0.503 0.659) 1.143 1.784 ( -1.202 -2.787 0.204) 3.042 1.784 ( -1.202 2.787 0.204) 3.042 1.843 ( -0.414 -1.652 0.439) 1.759 1.843 ( -0.414 1.652 0.439) 1.759 1.895 ( 3.151 -2.913 0.780) 4.361 1.895 ( 3.151 2.913 0.780) 4.361 2.001 ( 0.218 -2.399 2.041) 3.157 2.001 ( 0.218 2.399 2.041) 3.157 2.032 ( 2.511 -0.417 -0.912) 2.704 2.032 ( 2.511 0.417 -0.912) 2.704 2.155 ( 0.813 -1.034 -0.352) 1.362 2.155 ( 0.813 1.034 -0.352) 1.362 2.411 ( -1.824 -1.037 0.528) 2.164 2.411 ( -1.824 1.037 0.528) 2.164 2.494 ( -0.804 -2.600 -0.867) 2.857 2.494 ( -0.804 2.600 -0.867) 2.857 2.580 ( -0.059 -3.253 -0.051) 3.253 2.580 ( -0.059 3.253 -0.051) 3.253 2.884 ( -2.501 -1.554 -0.914) 3.084 2.884 ( -2.501 1.554 -0.914) 3.084 3.120 ( 4.458 -3.549 1.504) 5.893 3.120 ( 4.458 3.549 1.504) 5.893 3.285 ( 0.781 -0.537 -0.731) 1.197 3.285 ( 0.781 0.537 -0.731) 1.197 3.675 ( -3.338 -2.720 -0.441) 4.329 3.675 ( -3.338 2.720 -0.441) 4.329 3.946 ( -0.198 -1.515 -0.184) 1.539 3.946 ( -0.198 1.515 -0.184) 1.539 4.100 ( -5.088 -0.619 -0.051) 5.126 4.100 ( -5.088 0.619 -0.051) 5.126 4.787 ( 0.961 -1.349 0.248) 1.674 4.787 ( 0.961 1.349 0.248) 1.674 5.140 ( -1.257 -2.451 0.190) 2.761 5.140 ( -1.257 2.451 0.190) 2.761 5.552 ( -5.069 -1.637 0.610) 5.361 5.552 ( -5.069 1.637 0.610) 5.361 6.009 ( 3.072 -2.542 -0.136) 3.990 6.009 ( 3.072 2.542 -0.136) 3.990 8.378 ( -0.280 -0.659 -0.033) 0.716 8.378 ( -0.280 0.659 -0.033) 0.716 8.544 ( -0.271 -0.653 -0.006) 0.707 8.544 ( -0.271 0.653 -0.006) 0.707 9.136 ( 1.656 -0.736 -0.500) 1.880 9.136 ( 1.656 0.736 -0.500) 1.880 9.224 ( 0.346 -0.495 0.754) 0.965 9.224 ( 0.346 0.495 0.754) 0.965 9.818 ( -1.057 -2.606 -0.518) 2.860 9.818 ( -1.057 2.606 -0.518) 2.860 10.015 ( -0.174 -3.258 -0.034) 3.263 10.015 ( -0.174 3.258 -0.034) 3.263 10.267 ( -0.149 -0.899 -0.351) 0.977 10.267 ( -0.149 0.899 -0.351) 0.977 10.442 ( 0.451 -0.580 0.635) 0.971 10.442 ( 0.451 0.580 0.635) 0.971======================= Grid point 113 (61/64) =======================q-point: ( 0.33 -0.50 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.538 ( -3.759 -3.186 1.619) 5.187 0.538 ( -3.759 3.186 1.619) 5.187 0.621 ( -0.142 -2.441 -1.346) 2.791 0.621 ( -0.142 2.441 -1.346) 2.791 0.697 ( 0.984 -4.141 -0.414) 4.276 0.697 ( 0.984 4.141 -0.414) 4.276 0.766 ( -0.255 -2.260 0.023) 2.274 0.766 ( -0.255 2.260 0.023) 2.274 0.977 ( 1.387 -1.087 -0.621) 1.868 0.977 ( 1.387 1.087 -0.621) 1.868 1.024 ( -1.730 -3.125 -0.533) 3.612 1.024 ( -1.730 3.125 -0.533) 3.612 1.077 ( -0.989 -2.164 -1.534) 2.831 1.077 ( -0.989 2.164 -1.534) 2.831 1.151 ( -1.061 -1.847 -0.487) 2.185 1.151 ( -1.061 1.847 -0.487) 2.185 1.192 ( 1.175 -1.344 0.467) 1.846 1.192 ( 1.175 1.344 0.467) 1.846 1.250 ( -1.373 -1.582 0.239) 2.108 1.250 ( -1.373 1.582 0.239) 2.108 1.295 ( -1.319 -2.674 -0.291) 2.996 1.295 ( -1.319 2.674 -0.291) 2.996 1.397 ( 1.570 -3.303 -0.038) 3.657 1.397 ( 1.570 3.303 -0.038) 3.657 1.593 ( 0.959 -1.279 0.560) 1.694 1.593 ( 0.959 1.279 0.560) 1.694 1.707 ( 1.764 -3.258 -0.729) 3.776 1.707 ( 1.764 3.258 -0.729) 3.776 1.747 ( -1.266 -1.794 1.369) 2.588 1.747 ( -1.266 1.794 1.369) 2.588 1.790 ( 0.298 -4.333 0.970) 4.451 1.790 ( 0.298 4.333 0.970) 4.451 1.847 ( -0.009 -2.480 0.873) 2.629 1.847 ( -0.009 2.480 0.873) 2.629 1.950 ( 1.643 -2.036 -0.639) 2.693 1.950 ( 1.643 2.036 -0.639) 2.693 2.014 ( 1.338 -2.895 -0.621) 3.249 2.014 ( 1.338 2.895 -0.621) 3.249 2.105 ( 1.799 -4.788 2.271) 5.597 2.105 ( 1.799 4.788 2.271) 5.597 2.154 ( 0.892 -1.047 -1.319) 1.906 2.154 ( 0.892 1.047 -1.319) 1.906 2.385 ( -1.167 -4.066 1.062) 4.361 2.385 ( -1.167 4.066 1.062) 4.361 2.457 ( -1.516 -3.761 -1.220) 4.234 2.457 ( -1.516 3.761 -1.220) 4.234 2.586 ( 0.205 -3.651 0.838) 3.752 2.586 ( 0.205 3.651 0.838) 3.752 2.884 ( 1.076 -1.479 3.021) 3.532 2.884 ( 1.076 1.479 3.021) 3.532 3.184 ( 1.250 -3.759 0.175) 3.965 3.184 ( 1.250 3.759 0.175) 3.965 3.287 ( 1.127 -0.702 -2.420) 2.761 3.287 ( 1.127 0.702 -2.420) 2.761 3.605 ( -3.232 -2.755 -0.569) 4.285 3.605 ( -3.232 2.755 -0.569) 4.285 3.922 ( -3.670 -1.996 0.994) 4.294 3.922 ( -3.670 1.996 0.994) 4.294 3.998 ( -2.720 -0.359 -2.362) 3.620 3.998 ( -2.720 0.359 -2.362) 3.620 4.808 ( 0.820 -1.282 0.037) 1.522 4.808 ( 0.820 1.282 0.037) 1.522 5.115 ( -1.090 -3.030 -0.452) 3.252 5.115 ( -1.090 3.030 -0.452) 3.252 5.478 ( -4.181 -0.999 1.866) 4.686 5.478 ( -4.181 0.999 1.866) 4.686 6.059 ( 2.125 -1.936 0.112) 2.877 6.059 ( 2.125 1.936 0.112) 2.877 8.372 ( -0.179 -0.757 -0.055) 0.779 8.372 ( -0.179 0.757 -0.055) 0.779 8.533 ( -0.659 -0.958 -0.348) 1.213 8.533 ( -0.659 0.958 -0.348) 1.213 9.165 ( 2.225 -1.677 -0.518) 2.834 9.165 ( 2.225 1.677 -0.518) 2.834 9.237 ( -0.213 -2.199 0.605) 2.290 9.237 ( -0.213 2.199 0.605) 2.290 9.811 ( 0.389 -3.764 1.419) 4.041 9.811 ( 0.389 3.764 1.419) 4.041 9.995 ( -1.118 -4.596 -1.525) 4.970 9.995 ( -1.118 4.596 -1.525) 4.970 10.266 ( 0.187 -1.615 0.165) 1.634 10.266 ( 0.187 1.615 0.165) 1.634 10.453 ( -0.092 -0.968 0.231) 0.999 10.453 ( -0.092 0.968 0.231) 0.999======================= Grid point 115 (62/64) =======================q-point: (-0.50 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.510 ( 0.516 -0.979 0.640) 1.278 0.510 ( 0.516 0.979 0.640) 1.278 0.648 ( 0.744 -2.505 -0.398) 2.643 0.648 ( 0.744 2.505 -0.398) 2.643 0.683 ( 1.214 -2.217 -1.371) 2.876 0.683 ( 1.214 2.217 -1.371) 2.876 0.829 ( 3.657 -1.579 2.156) 4.530 0.829 ( 3.657 1.579 2.156) 4.530 0.924 ( -4.602 -3.790 -1.738) 6.210 0.924 ( -4.602 3.790 -1.738) 6.210 0.989 ( -2.857 -0.976 1.634) 3.433 0.989 ( -2.857 0.976 1.634) 3.433 1.057 ( 1.734 -1.296 -2.144) 3.047 1.057 ( 1.734 1.296 -2.144) 3.047 1.134 ( 0.404 -1.392 -0.452) 1.519 1.134 ( 0.404 1.392 -0.452) 1.519 1.212 ( 0.590 -1.047 -0.670) 1.376 1.212 ( 0.590 1.047 -0.670) 1.376 1.247 ( 0.132 -1.945 1.203) 2.291 1.247 ( 0.132 1.945 1.203) 2.291 1.275 ( -0.063 -1.927 -0.747) 2.068 1.275 ( -0.063 1.927 -0.747) 2.068 1.435 ( 1.225 -1.016 -0.080) 1.593 1.435 ( 1.225 1.016 -0.080) 1.593 1.613 ( -0.631 -0.944 1.459) 1.849 1.613 ( -0.631 0.944 1.459) 1.849 1.710 ( 0.090 -0.587 -0.594) 0.840 1.710 ( 0.090 0.587 -0.594) 0.840 1.763 ( 0.997 -1.158 0.944) 1.796 1.763 ( 0.997 1.158 0.944) 1.796 1.791 ( -0.517 -1.373 -0.103) 1.470 1.791 ( -0.517 1.373 -0.103) 1.470 1.856 ( -0.284 -0.535 0.705) 0.929 1.856 ( -0.284 0.535 0.705) 0.929 1.942 ( -0.502 -0.589 -1.012) 1.274 1.942 ( -0.502 0.589 -1.012) 1.274 2.021 ( -0.731 -0.977 0.214) 1.239 2.021 ( -0.731 0.977 0.214) 1.239 2.131 ( -1.034 -3.544 0.989) 3.822 2.131 ( -1.034 3.544 0.989) 3.822 2.156 ( 1.521 -1.971 -0.928) 2.657 2.156 ( 1.521 1.971 -0.928) 2.657 2.391 ( -1.279 -2.510 0.698) 2.903 2.391 ( -1.279 2.510 0.698) 2.903 2.438 ( 1.072 -1.367 -0.296) 1.762 2.438 ( 1.072 1.367 -0.296) 1.762 2.596 ( 0.090 -1.432 0.692) 1.593 2.596 ( 0.090 1.432 0.692) 1.593 2.969 ( 2.283 -1.246 3.144) 4.080 2.969 ( 2.283 1.246 3.144) 4.080 3.172 ( -1.704 -2.584 -0.750) 3.185 3.172 ( -1.704 2.584 -0.750) 3.185 3.266 ( 0.375 -0.780 -2.306) 2.463 3.266 ( 0.375 0.780 -2.306) 2.463 3.567 ( 1.272 -0.410 -1.579) 2.068 3.567 ( 1.272 0.410 -1.579) 2.068 3.868 ( -2.085 -0.889 1.714) 2.842 3.868 ( -2.085 0.889 1.714) 2.842 3.963 ( 0.351 -1.013 -1.470) 1.819 3.963 ( 0.351 1.013 -1.470) 1.819 4.814 ( -0.088 -0.825 -0.061) 0.832 4.814 ( -0.088 0.825 -0.061) 0.832 5.098 ( -0.350 -1.318 -0.105) 1.368 5.098 ( -0.350 1.318 -0.105) 1.368 5.460 ( 0.446 -0.379 0.967) 1.130 5.460 ( 0.446 0.379 0.967) 1.130 6.081 ( 0.172 -0.525 -0.002) 0.553 6.081 ( 0.172 0.525 -0.002) 0.553 8.371 ( -0.011 -1.069 0.014) 1.069 8.371 ( -0.011 1.069 0.014) 1.069 8.520 ( -0.092 -0.824 -0.315) 0.887 8.520 ( -0.092 0.824 -0.315) 0.887 9.192 ( 0.176 -0.238 -0.112) 0.316 9.192 ( 0.176 0.238 -0.112) 0.316 9.228 ( -0.357 -0.039 0.182) 0.403 9.228 ( -0.357 0.039 0.182) 0.403 9.861 ( 1.282 -3.653 2.726) 4.734 9.861 ( 1.282 3.653 2.726) 4.734 9.945 ( -1.084 -4.006 -2.494) 4.842 9.945 ( -1.084 4.006 -2.494) 4.842 10.273 ( 0.325 -0.704 -0.003) 0.775 10.273 ( 0.325 0.704 -0.003) 0.775 10.448 ( -0.237 -0.275 0.022) 0.364 10.448 ( -0.237 0.275 0.022) 0.364======================= Grid point 117 (63/64) =======================q-point: (-0.33 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.570 ( 3.347 -1.898 -1.044) 3.987 0.570 ( 3.347 1.898 -1.044) 3.987 0.619 ( 0.165 -1.995 -1.503) 2.503 0.619 ( 0.165 1.995 -1.503) 2.503 0.697 ( -0.569 -5.778 -0.354) 5.816 0.697 ( -0.569 5.778 -0.354) 5.816 0.787 ( -0.632 -2.127 -2.263) 3.169 0.787 ( -0.632 2.127 -2.263) 3.169 0.937 ( -3.062 -0.744 2.951) 4.317 0.937 ( -3.062 0.744 2.951) 4.317 0.992 ( 2.966 -2.199 2.764) 4.613 0.992 ( 2.966 2.199 2.764) 4.613 1.069 ( 1.562 -1.360 -0.800) 2.220 1.069 ( 1.562 1.360 -0.800) 2.220 1.147 ( 1.251 -2.811 -0.460) 3.111 1.147 ( 1.251 2.811 -0.460) 3.111 1.208 ( -0.249 -1.177 -0.933) 1.522 1.208 ( -0.249 1.177 -0.933) 1.522 1.261 ( 0.661 -1.467 -0.675) 1.744 1.261 ( 0.661 1.467 -0.675) 1.744 1.286 ( 1.693 -1.895 0.503) 2.590 1.286 ( 1.693 1.895 0.503) 2.590 1.419 ( -1.019 -1.557 -1.673) 2.502 1.419 ( -1.019 1.557 -1.673) 2.502 1.591 ( -2.643 -0.440 0.857) 2.813 1.591 ( -2.643 0.440 0.857) 2.813 1.700 ( -1.404 -3.423 -0.114) 3.702 1.700 ( -1.404 3.423 -0.114) 3.702 1.770 ( 0.795 -1.400 -0.724) 1.766 1.770 ( 0.795 1.400 -0.724) 1.766 1.803 ( 0.685 -2.889 -0.233) 2.979 1.803 ( 0.685 2.889 -0.233) 2.979 1.855 ( -0.079 -2.088 0.014) 2.089 1.855 ( -0.079 2.088 0.014) 2.089 1.923 ( -1.733 -2.142 1.288) 3.042 1.923 ( -1.733 2.142 1.288) 3.042 2.004 ( -1.612 -2.478 0.999) 3.121 2.004 ( -1.612 2.478 0.999) 3.121 2.119 ( 0.120 -2.854 0.653) 2.930 2.119 ( 0.120 2.854 0.653) 2.930 2.158 ( -1.809 -1.512 -1.565) 2.830 2.158 ( -1.809 1.512 -1.565) 2.830 2.383 ( 0.437 -5.142 1.096) 5.276 2.383 ( 0.437 5.142 1.096) 5.276 2.449 ( 0.668 -4.158 -0.380) 4.229 2.449 ( 0.668 4.158 -0.380) 4.229 2.603 ( -0.124 -0.874 -0.606) 1.071 2.603 ( -0.124 0.874 -0.606) 1.071 2.956 ( -1.861 -1.600 -3.795) 4.519 2.956 ( -1.861 1.600 -3.795) 4.519 3.164 ( -1.086 -1.756 2.592) 3.314 3.164 ( -1.086 1.756 2.592) 3.314 3.260 ( 0.707 -0.604 -0.427) 1.023 3.260 ( 0.707 0.604 -0.427) 1.023 3.621 ( 6.210 -3.750 -2.285) 7.606 3.621 ( 6.210 3.750 -2.285) 7.606 3.909 ( 2.126 -0.300 3.662) 4.245 3.909 ( 2.126 0.300 3.662) 4.245 3.963 ( 1.556 -1.224 -0.412) 2.022 3.963 ( 1.556 1.224 -0.412) 2.022 4.807 ( -0.660 -0.821 0.121) 1.060 4.807 ( -0.660 0.821 0.121) 1.060 5.102 ( 0.353 -1.151 0.725) 1.406 5.102 ( 0.353 1.151 0.725) 1.406 5.511 ( 4.997 -1.695 -1.115) 5.393 5.511 ( 4.997 1.695 -1.115) 5.393 6.064 ( -1.877 -1.327 -0.334) 2.322 6.064 ( -1.877 1.327 -0.334) 2.322 8.371 ( 0.034 -1.666 0.056) 1.667 8.371 ( 0.034 1.666 0.056) 1.667 8.527 ( 0.888 -0.906 0.169) 1.280 8.527 ( 0.888 0.906 0.169) 1.280 9.159 ( -2.567 -2.500 0.048) 3.584 9.159 ( -2.567 2.500 0.048) 3.584 9.241 ( 0.377 -3.157 0.247) 3.189 9.241 ( 0.377 3.157 0.247) 3.189 9.847 ( -1.818 -3.018 -1.879) 3.993 9.847 ( -1.818 3.018 -1.879) 3.993 9.959 ( 1.759 -5.028 1.717) 5.596 9.959 ( 1.759 5.028 1.717) 5.596 10.274 ( 0.304 -1.642 -0.618) 1.780 10.274 ( 0.304 1.642 -0.618) 1.780 10.452 ( 0.352 -1.435 0.284) 1.505 10.452 ( 0.352 1.435 0.284) 1.505======================= Grid point 119 (64/64) =======================q-point: (-0.17 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.542 ( -1.314 -0.981 1.035) 1.939 0.542 ( -1.314 0.981 1.035) 1.939 0.658 ( -0.502 -3.841 1.923) 4.325 0.658 ( -0.502 3.841 1.923) 4.325 0.712 ( 3.454 -4.251 0.096) 5.478 0.712 ( 3.454 4.251 0.096) 5.478 0.805 ( 4.290 -4.059 -1.879) 6.197 0.805 ( 4.290 4.059 -1.879) 6.197 0.932 ( -0.514 -0.676 1.656) 1.861 0.932 ( -0.514 0.676 1.656) 1.861 1.035 ( -0.679 -0.082 1.740) 1.870 1.035 ( -0.679 0.082 1.740) 1.870 1.087 ( 0.365 -1.019 -1.180) 1.601 1.087 ( 0.365 1.019 -1.180) 1.601 1.142 ( -1.523 -1.402 -1.636) 2.638 1.142 ( -1.523 1.402 -1.636) 2.638 1.207 ( 2.529 -1.160 0.231) 2.792 1.207 ( 2.529 1.160 0.231) 2.792 1.266 ( 0.411 -1.119 0.259) 1.220 1.266 ( 0.411 1.119 0.259) 1.220 1.318 ( 1.023 -1.683 -0.258) 1.986 1.318 ( 1.023 1.683 -0.258) 1.986 1.404 ( 0.829 -1.428 -0.105) 1.655 1.404 ( 0.829 1.428 -0.105) 1.655 1.554 ( -2.522 -1.679 0.874) 3.154 1.554 ( -2.522 1.679 0.874) 3.154 1.666 ( -2.026 -3.817 0.368) 4.337 1.666 ( -2.026 3.817 0.368) 4.337 1.775 ( -0.152 -0.771 -0.844) 1.153 1.775 ( -0.152 0.771 -0.844) 1.153 1.798 ( 1.029 -1.267 -1.182) 2.015 1.798 ( 1.029 1.267 -1.182) 2.015 1.855 ( 0.401 -2.051 -0.598) 2.174 1.855 ( 0.401 2.051 -0.598) 2.174 1.900 ( -2.854 -2.599 0.784) 3.938 1.900 ( -2.854 2.599 0.784) 3.938 1.992 ( -0.697 -2.820 0.787) 3.010 1.992 ( -0.697 2.820 0.787) 3.010 2.074 ( -2.851 -1.167 -2.894) 4.226 2.074 ( -2.851 1.167 -2.894) 4.226 2.140 ( 0.071 -1.457 1.058) 1.802 2.140 ( 0.071 1.457 1.058) 1.802 2.415 ( 1.421 -2.573 0.248) 2.950 2.415 ( 1.421 2.573 0.248) 2.950 2.469 ( 0.818 -2.678 1.329) 3.100 2.469 ( 0.818 2.678 1.329) 3.100 2.584 ( -0.416 -2.262 -0.520) 2.358 2.584 ( -0.416 2.262 -0.520) 2.358 2.902 ( 0.878 -1.592 -2.321) 2.948 2.902 ( 0.878 1.592 -2.321) 2.948 3.140 ( -3.338 -3.839 -0.267) 5.094 3.140 ( -3.338 3.839 -0.267) 5.094 3.272 ( 0.510 -0.699 0.203) 0.889 3.272 ( 0.510 0.699 0.203) 0.889 3.696 ( 4.777 -3.078 -2.680) 6.283 3.696 ( 4.777 3.078 -2.680) 6.283 3.941 ( -0.074 -0.676 0.462) 0.822 3.941 ( -0.074 0.676 0.462) 0.822 4.062 ( 4.606 -1.054 3.508) 5.885 4.062 ( 4.606 1.054 3.508) 5.885 4.793 ( -0.807 -0.860 -0.222) 1.200 4.793 ( -0.807 0.860 -0.222) 1.200 5.124 ( 0.498 -2.141 1.513) 2.669 5.124 ( 0.498 2.141 1.513) 2.669 5.592 ( 5.756 -2.459 -2.884) 6.892 5.592 ( 5.756 2.459 -2.884) 6.892 6.011 ( -3.146 -1.910 -0.309) 3.693 6.011 ( -3.146 1.910 -0.309) 3.693 8.375 ( 0.167 -1.865 0.233) 1.887 8.375 ( 0.167 1.865 0.233) 1.887 8.544 ( 0.577 -0.969 -0.012) 1.127 8.544 ( 0.577 0.969 -0.012) 1.127 9.123 ( -1.597 -1.756 0.621) 2.454 9.123 ( -1.597 1.756 0.621) 2.454 9.236 ( -0.651 -2.599 -0.367) 2.704 9.236 ( -0.651 2.599 -0.367) 2.704 9.816 ( 0.231 -2.628 -0.401) 2.668 9.816 ( 0.231 2.628 -0.401) 2.668 9.998 ( 0.282 -4.477 1.508) 4.733 9.998 ( 0.282 4.477 1.508) 4.733 10.273 ( 0.579 -2.002 -0.865) 2.257 10.273 ( 0.579 2.002 -0.865) 2.257 10.454 ( -0.240 -1.467 -0.504) 1.570 10.454 ( -0.240 1.467 -0.504) 1.570=================== 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 3/15120 10.0 8.813 8.768 7.219 0.000 -1.363 0.000 3/15120 20.0 2.772 2.544 2.143 0.000 -0.280 0.000 3/15120 30.0 1.600 1.442 1.221 0.000 -0.140 0.000 3/15120 40.0 1.137 1.019 0.863 0.000 -0.094 0.000 3/15120 50.0 0.891 0.796 0.674 0.000 -0.072 0.000 3/15120 60.0 0.737 0.657 0.556 0.000 -0.059 0.000 3/15120 70.0 0.631 0.561 0.475 0.000 -0.051 0.000 3/15120 80.0 0.553 0.491 0.415 0.000 -0.045 0.000 3/15120 90.0 0.492 0.437 0.369 0.000 -0.040 0.000 3/15120 100.0 0.444 0.395 0.333 0.000 -0.036 0.000 3/15120 110.0 0.405 0.360 0.303 0.000 -0.033 0.000 3/15120 120.0 0.372 0.331 0.278 0.000 -0.030 0.000 3/15120 130.0 0.344 0.307 0.258 0.000 -0.028 0.000 3/15120 140.0 0.320 0.286 0.240 0.000 -0.026 0.000 3/15120 150.0 0.299 0.268 0.224 0.000 -0.024 0.000 3/15120 160.0 0.281 0.252 0.210 0.000 -0.023 0.000 3/15120 170.0 0.265 0.238 0.198 0.000 -0.022 0.000 3/15120 180.0 0.250 0.225 0.188 0.000 -0.020 0.000 3/15120 190.0 0.238 0.214 0.178 0.000 -0.019 0.000 3/15120 200.0 0.226 0.204 0.169 0.000 -0.018 0.000 3/15120 210.0 0.215 0.194 0.161 0.000 -0.018 0.000 3/15120 220.0 0.206 0.186 0.154 0.000 -0.017 0.000 3/15120 230.0 0.197 0.178 0.148 0.000 -0.016 0.000 3/15120 240.0 0.189 0.171 0.142 0.000 -0.015 0.000 3/15120 250.0 0.182 0.164 0.136 0.000 -0.015 0.000 3/15120 260.0 0.175 0.158 0.131 0.000 -0.014 0.000 3/15120 270.0 0.168 0.153 0.126 0.000 -0.014 0.000 3/15120 280.0 0.162 0.147 0.122 0.000 -0.013 0.000 3/15120 290.0 0.157 0.142 0.118 0.000 -0.013 0.000 3/15120 300.0 0.152 0.138 0.114 0.000 -0.012 0.000 3/15120 310.0 0.147 0.133 0.110 0.000 -0.012 0.000 3/15120 320.0 0.142 0.129 0.107 0.000 -0.012 0.000 3/15120 330.0 0.138 0.126 0.104 0.000 -0.011 0.000 3/15120 340.0 0.134 0.122 0.101 0.000 -0.011 0.000 3/15120 350.0 0.130 0.119 0.098 0.000 -0.011 0.000 3/15120 360.0 0.127 0.115 0.095 0.000 -0.010 0.000 3/15120 370.0 0.123 0.112 0.093 0.000 -0.010 0.000 3/15120 380.0 0.120 0.109 0.090 0.000 -0.010 0.000 3/15120 390.0 0.117 0.107 0.088 0.000 -0.010 0.000 3/15120 400.0 0.114 0.104 0.086 0.000 -0.009 0.000 3/15120 410.0 0.111 0.102 0.084 0.000 -0.009 0.000 3/15120 420.0 0.109 0.099 0.082 0.000 -0.009 0.000 3/15120 430.0 0.106 0.097 0.080 0.000 -0.009 0.000 3/15120 440.0 0.104 0.095 0.078 0.000 -0.008 0.000 3/15120 450.0 0.102 0.093 0.076 0.000 -0.008 0.000 3/15120 460.0 0.099 0.091 0.075 0.000 -0.008 0.000 3/15120 470.0 0.097 0.089 0.073 0.000 -0.008 0.000 3/15120 480.0 0.095 0.087 0.072 0.000 -0.008 0.000 3/15120 490.0 0.093 0.085 0.070 0.000 -0.008 0.000 3/15120 500.0 0.092 0.084 0.069 0.000 -0.007 0.000 3/15120 510.0 0.090 0.082 0.067 0.000 -0.007 0.000 3/15120 520.0 0.088 0.080 0.066 0.000 -0.007 0.000 3/15120 530.0 0.086 0.079 0.065 0.000 -0.007 0.000 3/15120 540.0 0.085 0.077 0.064 0.000 -0.007 0.000 3/15120 550.0 0.083 0.076 0.063 0.000 -0.007 0.000 3/15120 560.0 0.082 0.075 0.061 0.000 -0.007 0.000 3/15120 570.0 0.080 0.073 0.060 0.000 -0.007 0.000 3/15120 580.0 0.079 0.072 0.059 0.000 -0.006 0.000 3/15120 590.0 0.078 0.071 0.058 0.000 -0.006 0.000 3/15120 600.0 0.076 0.070 0.057 0.000 -0.006 0.000 3/15120 610.0 0.075 0.069 0.056 0.000 -0.006 0.000 3/15120 620.0 0.074 0.068 0.055 0.000 -0.006 0.000 3/15120 630.0 0.073 0.067 0.055 0.000 -0.006 0.000 3/15120 640.0 0.072 0.066 0.054 0.000 -0.006 0.000 3/15120 650.0 0.071 0.065 0.053 0.000 -0.006 0.000 3/15120 660.0 0.069 0.064 0.052 0.000 -0.006 0.000 3/15120 670.0 0.068 0.063 0.051 0.000 -0.006 0.000 3/15120 680.0 0.067 0.062 0.051 0.000 -0.006 0.000 3/15120 690.0 0.066 0.061 0.050 0.000 -0.005 0.000 3/15120 700.0 0.066 0.060 0.049 0.000 -0.005 0.000 3/15120 710.0 0.065 0.059 0.048 0.000 -0.005 0.000 3/15120 720.0 0.064 0.058 0.048 0.000 -0.005 0.000 3/15120 730.0 0.063 0.058 0.047 0.000 -0.005 0.000 3/15120 740.0 0.062 0.057 0.047 0.000 -0.005 0.000 3/15120 750.0 0.061 0.056 0.046 0.000 -0.005 0.000 3/15120 760.0 0.060 0.055 0.045 0.000 -0.005 0.000 3/15120 770.0 0.060 0.055 0.045 0.000 -0.005 0.000 3/15120 780.0 0.059 0.054 0.044 0.000 -0.005 0.000 3/15120 790.0 0.058 0.053 0.044 0.000 -0.005 0.000 3/15120 800.0 0.057 0.053 0.043 0.000 -0.005 0.000 3/15120 810.0 0.057 0.052 0.043 0.000 -0.005 0.000 3/15120 820.0 0.056 0.051 0.042 0.000 -0.005 0.000 3/15120 830.0 0.055 0.051 0.042 0.000 -0.005 0.000 3/15120 840.0 0.055 0.050 0.041 0.000 -0.004 0.000 3/15120 850.0 0.054 0.049 0.041 0.000 -0.004 0.000 3/15120 860.0 0.053 0.049 0.040 0.000 -0.004 0.000 3/15120 870.0 0.053 0.048 0.040 0.000 -0.004 0.000 3/15120 880.0 0.052 0.048 0.039 0.000 -0.004 0.000 3/15120 890.0 0.052 0.047 0.039 0.000 -0.004 0.000 3/15120 900.0 0.051 0.047 0.038 0.000 -0.004 0.000 3/15120 910.0 0.050 0.046 0.038 0.000 -0.004 0.000 3/15120 920.0 0.050 0.046 0.037 0.000 -0.004 0.000 3/15120 930.0 0.049 0.045 0.037 0.000 -0.004 0.000 3/15120 940.0 0.049 0.045 0.037 0.000 -0.004 0.000 3/15120 950.0 0.048 0.044 0.036 0.000 -0.004 0.000 3/15120 960.0 0.048 0.044 0.036 0.000 -0.004 0.000 3/15120 970.0 0.047 0.043 0.036 0.000 -0.004 0.000 3/15120 980.0 0.047 0.043 0.035 0.000 -0.004 0.000 3/15120 990.0 0.046 0.043 0.035 0.000 -0.004 0.000 3/15120 1000.0 0.046 0.042 0.034 0.000 -0.004 0.000 3/15120Thermal conductivity related properties were written into "kappa-m665.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:17:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|