----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:52:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.915270740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.976387060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.738143850000000 Atomic positions (fractional): *1 K 0.56814842123347 0.75000000000000 0.62590298066809 39.098 2 K 0.93185157876653 0.25000000000000 0.12590298066809 39.098 3 K 0.43185157876653 0.25000000000000 0.37409701933191 39.098 4 K 0.06814842123347 0.75000000000000 0.87409701933191 39.098 *5 K 0.64402952842056 0.99159323787294 0.17497006824236 39.098 6 K 0.85597047157944 0.00840676212706 0.67497006824236 39.098 7 K 0.35597047157944 0.49159323787294 0.82502993175764 39.098 8 K 0.14402952842056 0.50840676212706 0.32502993175764 39.098 9 K 0.35597047157944 0.00840676212706 0.82502993175764 39.098 10 K 0.14402952842056 0.99159323787294 0.32502993175764 39.098 11 K 0.64402952842056 0.50840676212706 0.17497006824236 39.098 12 K 0.85597047157944 0.49159323787294 0.67497006824236 39.098 *13 N 0.88438035140202 0.75000000000000 0.28655286403467 14.007 14 N 0.61561964859798 0.25000000000000 0.78655286403467 14.007 15 N 0.11561964859797 0.25000000000000 0.71344713596533 14.007 16 N 0.38438035140202 0.75000000000000 0.21344713596533 14.007 *17 O 0.97986195383074 0.75000000000000 0.44912638959864 15.999 18 O 0.52013804616926 0.25000000000000 0.94912638959864 15.999 19 O 0.02013804616926 0.25000000000000 0.55087361040136 15.999 20 O 0.47986195383074 0.75000000000000 0.05087361040136 15.999 *21 O 0.77329892660951 0.75000000000000 0.40572532130535 15.999 22 O 0.72670107339049 0.25000000000000 0.90572532130535 15.999 23 O 0.22670107339049 0.25000000000000 0.59427467869465 15.999 24 O 0.27329892660951 0.75000000000000 0.09427467869464 15.999 *25 O 0.89280655955558 0.89345989598447 0.14973322361349 15.999 26 O 0.60719344044442 0.10654010401553 0.64973322361348 15.999 27 O 0.10719344044442 0.39345989598447 0.85026677638652 15.999 28 O 0.39280655955558 0.60654010401553 0.35026677638651 15.999 29 O 0.10719344044442 0.10654010401553 0.85026677638652 15.999 30 O 0.39280655955558 0.89345989598447 0.35026677638651 15.999 31 O 0.89280655955558 0.60654010401553 0.14973322361349 15.999 32 O 0.60719344044442 0.39345989598447 0.64973322361348 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.915270740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.976387060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.738143850000000 Atomic positions (fractional): *1 K 0.56814842123347 0.75000000000000 0.62590298066809 39.098 > 1 2 K 0.93185157876653 0.25000000000000 0.12590298066809 39.098 > 2 3 K 0.43185157876653 0.25000000000000 0.37409701933191 39.098 > 3 4 K 0.06814842123347 0.75000000000000 0.87409701933191 39.098 > 4 *5 K 0.64402952842056 0.99159323787294 0.17497006824236 39.098 > 5 6 K 0.85597047157944 0.00840676212706 0.67497006824236 39.098 > 6 7 K 0.35597047157944 0.49159323787294 0.82502993175764 39.098 > 7 8 K 0.14402952842056 0.50840676212706 0.32502993175764 39.098 > 8 9 K 0.35597047157944 0.00840676212706 0.82502993175764 39.098 > 9 10 K 0.14402952842056 0.99159323787294 0.32502993175764 39.098 > 10 11 K 0.64402952842056 0.50840676212706 0.17497006824236 39.098 > 11 12 K 0.85597047157944 0.49159323787294 0.67497006824236 39.098 > 12 *13 N 0.88438035140202 0.75000000000000 0.28655286403467 14.007 > 13 14 N 0.61561964859798 0.25000000000000 0.78655286403467 14.007 > 14 15 N 0.11561964859797 0.25000000000000 0.71344713596533 14.007 > 15 16 N 0.38438035140202 0.75000000000000 0.21344713596533 14.007 > 16 *17 O 0.97986195383074 0.75000000000000 0.44912638959864 15.999 > 17 18 O 0.52013804616926 0.25000000000000 0.94912638959864 15.999 > 18 19 O 0.02013804616926 0.25000000000000 0.55087361040136 15.999 > 19 20 O 0.47986195383074 0.75000000000000 0.05087361040136 15.999 > 20 *21 O 0.77329892660951 0.75000000000000 0.40572532130535 15.999 > 21 22 O 0.72670107339049 0.25000000000000 0.90572532130535 15.999 > 22 23 O 0.22670107339049 0.25000000000000 0.59427467869465 15.999 > 23 24 O 0.27329892660951 0.75000000000000 0.09427467869464 15.999 > 24 *25 O 0.89280655955558 0.89345989598447 0.14973322361349 15.999 > 25 26 O 0.60719344044442 0.10654010401553 0.64973322361348 15.999 > 26 27 O 0.10719344044442 0.39345989598447 0.85026677638652 15.999 > 27 28 O 0.39280655955558 0.60654010401553 0.35026677638651 15.999 > 28 29 O 0.10719344044442 0.10654010401553 0.85026677638652 15.999 > 29 30 O 0.39280655955558 0.89345989598447 0.35026677638651 15.999 > 30 31 O 0.89280655955558 0.60654010401553 0.14973322361349 15.999 > 31 32 O 0.60719344044442 0.39345989598447 0.64973322361348 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.915270740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.952774120000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.476287700000000 Atomic positions (fractional): *1 K 0.56814842123347 0.37500000000000 0.31295149033404 39.098 > 1 2 K 0.56814842123347 0.87500000000000 0.31295149033404 39.098 > 1 3 K 0.56814842123347 0.37500000000000 0.81295149033404 39.098 > 1 4 K 0.56814842123347 0.87500000000000 0.81295149033404 39.098 > 1 5 K 0.93185157876653 0.12500000000000 0.06295149033404 39.098 > 2 6 K 0.93185157876653 0.62500000000000 0.06295149033404 39.098 > 2 7 K 0.93185157876653 0.12500000000000 0.56295149033404 39.098 > 2 8 K 0.93185157876653 0.62500000000000 0.56295149033404 39.098 > 2 9 K 0.43185157876653 0.12500000000000 0.18704850966596 39.098 > 3 10 K 0.43185157876653 0.62500000000000 0.18704850966596 39.098 > 3 11 K 0.43185157876653 0.12500000000000 0.68704850966596 39.098 > 3 12 K 0.43185157876653 0.62500000000000 0.68704850966596 39.098 > 3 13 K 0.06814842123347 0.37500000000000 0.43704850966596 39.098 > 4 14 K 0.06814842123347 0.87500000000000 0.43704850966596 39.098 > 4 15 K 0.06814842123347 0.37500000000000 0.93704850966596 39.098 > 4 16 K 0.06814842123347 0.87500000000000 0.93704850966596 39.098 > 4 *17 K 0.64402952842056 0.49579661893647 0.08748503412118 39.098 > 5 18 K 0.64402952842056 0.99579661893647 0.08748503412118 39.098 > 5 19 K 0.64402952842056 0.49579661893647 0.58748503412118 39.098 > 5 20 K 0.64402952842056 0.99579661893647 0.58748503412118 39.098 > 5 21 K 0.85597047157944 0.00420338106353 0.33748503412118 39.098 > 6 22 K 0.85597047157944 0.50420338106353 0.33748503412118 39.098 > 6 23 K 0.85597047157944 0.00420338106353 0.83748503412118 39.098 > 6 24 K 0.85597047157944 0.50420338106353 0.83748503412118 39.098 > 6 25 K 0.35597047157944 0.24579661893647 0.41251496587882 39.098 > 7 26 K 0.35597047157944 0.74579661893647 0.41251496587882 39.098 > 7 27 K 0.35597047157944 0.24579661893647 0.91251496587882 39.098 > 7 28 K 0.35597047157944 0.74579661893647 0.91251496587882 39.098 > 7 29 K 0.14402952842056 0.25420338106353 0.16251496587882 39.098 > 8 30 K 0.14402952842056 0.75420338106353 0.16251496587882 39.098 > 8 31 K 0.14402952842056 0.25420338106353 0.66251496587882 39.098 > 8 32 K 0.14402952842056 0.75420338106353 0.66251496587882 39.098 > 8 33 K 0.35597047157944 0.00420338106353 0.41251496587882 39.098 > 9 34 K 0.35597047157944 0.50420338106353 0.41251496587882 39.098 > 9 35 K 0.35597047157944 0.00420338106353 0.91251496587882 39.098 > 9 36 K 0.35597047157944 0.50420338106353 0.91251496587882 39.098 > 9 37 K 0.14402952842056 0.49579661893647 0.16251496587882 39.098 > 10 38 K 0.14402952842056 0.99579661893647 0.16251496587882 39.098 > 10 39 K 0.14402952842056 0.49579661893647 0.66251496587882 39.098 > 10 40 K 0.14402952842056 0.99579661893647 0.66251496587882 39.098 > 10 41 K 0.64402952842056 0.25420338106353 0.08748503412118 39.098 > 11 42 K 0.64402952842056 0.75420338106353 0.08748503412118 39.098 > 11 43 K 0.64402952842056 0.25420338106353 0.58748503412118 39.098 > 11 44 K 0.64402952842056 0.75420338106353 0.58748503412118 39.098 > 11 45 K 0.85597047157944 0.24579661893647 0.33748503412118 39.098 > 12 46 K 0.85597047157944 0.74579661893647 0.33748503412118 39.098 > 12 47 K 0.85597047157944 0.24579661893647 0.83748503412118 39.098 > 12 48 K 0.85597047157944 0.74579661893647 0.83748503412118 39.098 > 12 *49 N 0.88438035140202 0.37500000000000 0.14327643201734 14.007 > 13 50 N 0.88438035140202 0.87500000000000 0.14327643201734 14.007 > 13 51 N 0.88438035140202 0.37500000000000 0.64327643201733 14.007 > 13 52 N 0.88438035140202 0.87500000000000 0.64327643201733 14.007 > 13 53 N 0.61561964859798 0.12500000000000 0.39327643201733 14.007 > 14 54 N 0.61561964859798 0.62500000000000 0.39327643201733 14.007 > 14 55 N 0.61561964859798 0.12500000000000 0.89327643201733 14.007 > 14 56 N 0.61561964859798 0.62500000000000 0.89327643201733 14.007 > 14 57 N 0.11561964859797 0.12500000000000 0.35672356798267 14.007 > 15 58 N 0.11561964859797 0.62500000000000 0.35672356798267 14.007 > 15 59 N 0.11561964859797 0.12500000000000 0.85672356798267 14.007 > 15 60 N 0.11561964859797 0.62500000000000 0.85672356798267 14.007 > 15 61 N 0.38438035140202 0.37500000000000 0.10672356798266 14.007 > 16 62 N 0.38438035140202 0.87500000000000 0.10672356798266 14.007 > 16 63 N 0.38438035140202 0.37500000000000 0.60672356798267 14.007 > 16 64 N 0.38438035140202 0.87500000000000 0.60672356798267 14.007 > 16 *65 O 0.97986195383074 0.37500000000000 0.22456319479932 15.999 > 17 66 O 0.97986195383074 0.87500000000000 0.22456319479932 15.999 > 17 67 O 0.97986195383074 0.37500000000000 0.72456319479932 15.999 > 17 68 O 0.97986195383074 0.87500000000000 0.72456319479932 15.999 > 17 69 O 0.52013804616926 0.12500000000000 0.47456319479932 15.999 > 18 70 O 0.52013804616926 0.62500000000000 0.47456319479932 15.999 > 18 71 O 0.52013804616926 0.12500000000000 0.97456319479932 15.999 > 18 72 O 0.52013804616926 0.62500000000000 0.97456319479932 15.999 > 18 73 O 0.02013804616926 0.12500000000000 0.27543680520068 15.999 > 19 74 O 0.02013804616926 0.62500000000000 0.27543680520068 15.999 > 19 75 O 0.02013804616926 0.12500000000000 0.77543680520068 15.999 > 19 76 O 0.02013804616926 0.62500000000000 0.77543680520068 15.999 > 19 77 O 0.47986195383074 0.37500000000000 0.02543680520068 15.999 > 20 78 O 0.47986195383074 0.87500000000000 0.02543680520068 15.999 > 20 79 O 0.47986195383074 0.37500000000000 0.52543680520068 15.999 > 20 80 O 0.47986195383074 0.87500000000000 0.52543680520068 15.999 > 20 *81 O 0.77329892660951 0.37500000000000 0.20286266065268 15.999 > 21 82 O 0.77329892660951 0.87500000000000 0.20286266065268 15.999 > 21 83 O 0.77329892660951 0.37500000000000 0.70286266065268 15.999 > 21 84 O 0.77329892660951 0.87500000000000 0.70286266065268 15.999 > 21 85 O 0.72670107339049 0.12500000000000 0.45286266065268 15.999 > 22 86 O 0.72670107339049 0.62500000000000 0.45286266065268 15.999 > 22 87 O 0.72670107339049 0.12500000000000 0.95286266065268 15.999 > 22 88 O 0.72670107339049 0.62500000000000 0.95286266065268 15.999 > 22 89 O 0.22670107339049 0.12500000000000 0.29713733934732 15.999 > 23 90 O 0.22670107339049 0.62500000000000 0.29713733934732 15.999 > 23 91 O 0.22670107339049 0.12500000000000 0.79713733934732 15.999 > 23 92 O 0.22670107339049 0.62500000000000 0.79713733934732 15.999 > 23 93 O 0.27329892660951 0.37500000000000 0.04713733934732 15.999 > 24 94 O 0.27329892660951 0.87500000000000 0.04713733934732 15.999 > 24 95 O 0.27329892660951 0.37500000000000 0.54713733934732 15.999 > 24 96 O 0.27329892660951 0.87500000000000 0.54713733934732 15.999 > 24 *97 O 0.89280655955558 0.44672994799224 0.07486661180674 15.999 > 25 98 O 0.89280655955558 0.94672994799224 0.07486661180674 15.999 > 25 99 O 0.89280655955558 0.44672994799224 0.57486661180674 15.999 > 25 100 O 0.89280655955558 0.94672994799224 0.57486661180674 15.999 > 25 101 O 0.60719344044442 0.05327005200776 0.32486661180674 15.999 > 26 102 O 0.60719344044442 0.55327005200776 0.32486661180674 15.999 > 26 103 O 0.60719344044442 0.05327005200776 0.82486661180674 15.999 > 26 104 O 0.60719344044442 0.55327005200776 0.82486661180674 15.999 > 26 105 O 0.10719344044442 0.19672994799224 0.42513338819326 15.999 > 27 106 O 0.10719344044442 0.69672994799224 0.42513338819326 15.999 > 27 107 O 0.10719344044442 0.19672994799224 0.92513338819326 15.999 > 27 108 O 0.10719344044442 0.69672994799224 0.92513338819326 15.999 > 27 109 O 0.39280655955558 0.30327005200776 0.17513338819326 15.999 > 28 110 O 0.39280655955558 0.80327005200776 0.17513338819326 15.999 > 28 111 O 0.39280655955558 0.30327005200776 0.67513338819326 15.999 > 28 112 O 0.39280655955558 0.80327005200776 0.67513338819326 15.999 > 28 113 O 0.10719344044442 0.05327005200776 0.42513338819326 15.999 > 29 114 O 0.10719344044442 0.55327005200776 0.42513338819326 15.999 > 29 115 O 0.10719344044442 0.05327005200776 0.92513338819326 15.999 > 29 116 O 0.10719344044442 0.55327005200776 0.92513338819326 15.999 > 29 117 O 0.39280655955558 0.44672994799224 0.17513338819326 15.999 > 30 118 O 0.39280655955558 0.94672994799224 0.17513338819326 15.999 > 30 119 O 0.39280655955558 0.44672994799224 0.67513338819326 15.999 > 30 120 O 0.39280655955558 0.94672994799224 0.67513338819326 15.999 > 30 121 O 0.89280655955558 0.30327005200776 0.07486661180674 15.999 > 31 122 O 0.89280655955558 0.80327005200776 0.07486661180674 15.999 > 31 123 O 0.89280655955558 0.30327005200776 0.57486661180674 15.999 > 31 124 O 0.89280655955558 0.80327005200776 0.57486661180674 15.999 > 31 125 O 0.60719344044442 0.19672994799224 0.32486661180674 15.999 > 32 126 O 0.60719344044442 0.69672994799224 0.32486661180674 15.999 > 32 127 O 0.60719344044442 0.19672994799224 0.82486661180674 15.999 > 32 128 O 0.60719344044442 0.69672994799224 0.82486661180674 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5888818 0.0000000 0.0000000 0.0000000 2.5751149 0.0000000 0.0000000 0.0000000 2.5657422 -------------------------- Born effective charges -------------------------- 1 K 1.2336303 0.0000000 -0.1061240 0.0000000 1.2245136 0.0000000 -0.0218351 0.0000000 1.2614191 2 K 1.2336303 0.0000000 0.1061240 0.0000000 1.2245136 0.0000000 0.0218351 0.0000000 1.2614191 3 K 1.2336303 0.0000000 -0.1061240 0.0000000 1.2245136 0.0000000 -0.0218351 0.0000000 1.2614191 4 K 1.2336303 0.0000000 0.1061240 0.0000000 1.2245136 0.0000000 0.0218351 0.0000000 1.2614191 5 K 1.1897431 -0.0218425 0.0523699 -0.0348780 1.1616264 -0.1276191 0.0375688 -0.1503021 1.1074976 6 K 1.1897431 -0.0218425 -0.0523699 -0.0348780 1.1616264 0.1276191 -0.0375688 0.1503021 1.1074976 7 K 1.1897431 0.0218425 0.0523699 0.0348780 1.1616264 0.1276191 0.0375688 0.1503021 1.1074976 8 K 1.1897431 0.0218425 -0.0523699 0.0348780 1.1616264 -0.1276191 -0.0375688 -0.1503021 1.1074976 9 K 1.1897431 -0.0218425 0.0523699 -0.0348780 1.1616264 -0.1276191 0.0375688 -0.1503021 1.1074976 10 K 1.1897431 -0.0218425 -0.0523699 -0.0348780 1.1616264 0.1276191 -0.0375688 0.1503021 1.1074976 11 K 1.1897431 0.0218425 0.0523699 0.0348780 1.1616264 0.1276191 0.0375688 0.1503021 1.1074976 12 K 1.1897431 0.0218425 -0.0523699 0.0348780 1.1616264 -0.1276191 -0.0375688 -0.1503021 1.1074976 13 N 2.2585579 0.0000000 -0.0595532 0.0000000 2.3394360 0.0000000 -0.0426101 0.0000000 2.2480814 14 N 2.2585579 0.0000000 0.0595532 0.0000000 2.3394360 0.0000000 0.0426101 0.0000000 2.2480814 15 N 2.2585579 0.0000000 -0.0595532 0.0000000 2.3394360 0.0000000 -0.0426101 0.0000000 2.2480814 16 N 2.2585579 0.0000000 0.0595532 0.0000000 2.3394360 0.0000000 0.0426101 0.0000000 2.2480814 17 O -1.6865138 0.0000000 -0.5751316 0.0000000 -1.1015984 0.0000000 -0.5572730 0.0000000 -1.6162553 18 O -1.6865138 0.0000000 0.5751316 0.0000000 -1.1015984 0.0000000 0.5572730 0.0000000 -1.6162553 19 O -1.6865138 0.0000000 -0.5751316 0.0000000 -1.1015984 0.0000000 -0.5572730 0.0000000 -1.6162553 20 O -1.6865138 0.0000000 0.5751316 0.0000000 -1.1015984 0.0000000 0.5572730 0.0000000 -1.6162553 21 O -2.0437835 0.0000000 0.4814103 0.0000000 -1.1177310 0.0000000 0.4998881 0.0000000 -1.3094442 22 O -2.0437835 0.0000000 -0.4814103 0.0000000 -1.1177310 0.0000000 -0.4998881 0.0000000 -1.3094442 23 O -2.0437835 0.0000000 0.4814103 0.0000000 -1.1177310 0.0000000 0.4998881 0.0000000 -1.3094442 24 O -2.0437835 0.0000000 -0.4814103 0.0000000 -1.1177310 0.0000000 -0.4998881 0.0000000 -1.3094442 25 O -1.0706886 -0.0374087 0.0967734 -0.0228582 -1.8339365 0.5602270 0.0897512 0.5599932 -1.3993981 26 O -1.0706886 -0.0374087 -0.0967734 -0.0228582 -1.8339365 -0.5602270 -0.0897512 -0.5599932 -1.3993981 27 O -1.0706886 0.0374087 0.0967734 0.0228582 -1.8339365 -0.5602270 0.0897512 -0.5599932 -1.3993981 28 O -1.0706886 0.0374087 -0.0967734 0.0228582 -1.8339365 0.5602270 -0.0897512 0.5599932 -1.3993981 29 O -1.0706886 -0.0374087 0.0967734 -0.0228582 -1.8339365 0.5602270 0.0897512 0.5599932 -1.3993981 30 O -1.0706886 -0.0374087 -0.0967734 -0.0228582 -1.8339365 -0.5602270 -0.0897512 -0.5599932 -1.3993981 31 O -1.0706886 0.0374087 0.0967734 0.0228582 -1.8339365 -0.5602270 0.0897512 -0.5599932 -1.3993981 32 O -1.0706886 0.0374087 -0.0967734 0.0228582 -1.8339365 0.5602270 -0.0897512 0.5599932 -1.3993981 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2456 Number of blocks in projector: 2456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 65 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2456, 2418), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 23), data: (576, 35) @ (35, 23) |-- (76, 65), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.831 Solver_block: 200 / 480 - Time: 0.750 Solver_block: 300 / 480 - Time: 0.745 Solver_block: 400 / 480 - Time: 0.748 Solver_block: 480 / 480 - Time: 0.603 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.773 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2456 Number of blocks in projector: 2456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 65 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2456, 2418), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 23), data: (576, 35) @ (35, 23) |-- (76, 65), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:52:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:52:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.915270740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.976387060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.738143850000000 Atomic positions (fractional): 1 K 0.56814842123347 0.75000000000000 0.62590298066809 39.098 2 K 0.93185157876653 0.25000000000000 0.12590298066809 39.098 3 K 0.43185157876653 0.25000000000000 0.37409701933191 39.098 4 K 0.06814842123347 0.75000000000000 0.87409701933191 39.098 5 K 0.64402952842056 0.99159323787294 0.17497006824236 39.098 6 K 0.85597047157944 0.00840676212706 0.67497006824236 39.098 7 K 0.35597047157944 0.49159323787294 0.82502993175764 39.098 8 K 0.14402952842056 0.50840676212706 0.32502993175764 39.098 9 K 0.35597047157944 0.00840676212706 0.82502993175764 39.098 10 K 0.14402952842056 0.99159323787294 0.32502993175764 39.098 11 K 0.64402952842056 0.50840676212706 0.17497006824236 39.098 12 K 0.85597047157944 0.49159323787294 0.67497006824236 39.098 13 N 0.88438035140202 0.75000000000000 0.28655286403467 14.007 14 N 0.61561964859798 0.25000000000000 0.78655286403467 14.007 15 N 0.11561964859797 0.25000000000000 0.71344713596533 14.007 16 N 0.38438035140202 0.75000000000000 0.21344713596533 14.007 17 O 0.97986195383074 0.75000000000000 0.44912638959864 15.999 18 O 0.52013804616926 0.25000000000000 0.94912638959864 15.999 19 O 0.02013804616926 0.25000000000000 0.55087361040136 15.999 20 O 0.47986195383074 0.75000000000000 0.05087361040136 15.999 21 O 0.77329892660951 0.75000000000000 0.40572532130535 15.999 22 O 0.72670107339049 0.25000000000000 0.90572532130535 15.999 23 O 0.22670107339049 0.25000000000000 0.59427467869465 15.999 24 O 0.27329892660951 0.75000000000000 0.09427467869464 15.999 25 O 0.89280655955558 0.89345989598447 0.14973322361349 15.999 26 O 0.60719344044442 0.10654010401553 0.64973322361348 15.999 27 O 0.10719344044442 0.39345989598447 0.85026677638652 15.999 28 O 0.39280655955558 0.60654010401553 0.35026677638651 15.999 29 O 0.10719344044442 0.10654010401553 0.85026677638652 15.999 30 O 0.39280655955558 0.89345989598447 0.35026677638651 15.999 31 O 0.89280655955558 0.60654010401553 0.14973322361349 15.999 32 O 0.60719344044442 0.39345989598447 0.64973322361348 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.915270740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.952774120000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.476287700000000 Atomic positions (fractional): 1 K 0.56814842123347 0.37500000000000 0.31295149033404 39.098 > 1 2 K 0.56814842123347 0.87500000000000 0.31295149033404 39.098 > 1 3 K 0.56814842123347 0.37500000000000 0.81295149033404 39.098 > 1 4 K 0.56814842123347 0.87500000000000 0.81295149033404 39.098 > 1 5 K 0.93185157876653 0.12500000000000 0.06295149033404 39.098 > 5 6 K 0.93185157876653 0.62500000000000 0.06295149033404 39.098 > 5 7 K 0.93185157876653 0.12500000000000 0.56295149033404 39.098 > 5 8 K 0.93185157876653 0.62500000000000 0.56295149033404 39.098 > 5 9 K 0.43185157876653 0.12500000000000 0.18704850966596 39.098 > 9 10 K 0.43185157876653 0.62500000000000 0.18704850966596 39.098 > 9 11 K 0.43185157876653 0.12500000000000 0.68704850966596 39.098 > 9 12 K 0.43185157876653 0.62500000000000 0.68704850966596 39.098 > 9 13 K 0.06814842123347 0.37500000000000 0.43704850966596 39.098 > 13 14 K 0.06814842123347 0.87500000000000 0.43704850966596 39.098 > 13 15 K 0.06814842123347 0.37500000000000 0.93704850966596 39.098 > 13 16 K 0.06814842123347 0.87500000000000 0.93704850966596 39.098 > 13 17 K 0.64402952842056 0.49579661893647 0.08748503412118 39.098 > 17 18 K 0.64402952842056 0.99579661893647 0.08748503412118 39.098 > 17 19 K 0.64402952842056 0.49579661893647 0.58748503412118 39.098 > 17 20 K 0.64402952842056 0.99579661893647 0.58748503412118 39.098 > 17 21 K 0.85597047157944 0.00420338106353 0.33748503412118 39.098 > 21 22 K 0.85597047157944 0.50420338106353 0.33748503412118 39.098 > 21 23 K 0.85597047157944 0.00420338106353 0.83748503412118 39.098 > 21 24 K 0.85597047157944 0.50420338106353 0.83748503412118 39.098 > 21 25 K 0.35597047157944 0.24579661893647 0.41251496587882 39.098 > 25 26 K 0.35597047157944 0.74579661893647 0.41251496587882 39.098 > 25 27 K 0.35597047157944 0.24579661893647 0.91251496587882 39.098 > 25 28 K 0.35597047157944 0.74579661893647 0.91251496587882 39.098 > 25 29 K 0.14402952842056 0.25420338106353 0.16251496587882 39.098 > 29 30 K 0.14402952842056 0.75420338106353 0.16251496587882 39.098 > 29 31 K 0.14402952842056 0.25420338106353 0.66251496587882 39.098 > 29 32 K 0.14402952842056 0.75420338106353 0.66251496587882 39.098 > 29 33 K 0.35597047157944 0.00420338106353 0.41251496587882 39.098 > 33 34 K 0.35597047157944 0.50420338106353 0.41251496587882 39.098 > 33 35 K 0.35597047157944 0.00420338106353 0.91251496587882 39.098 > 33 36 K 0.35597047157944 0.50420338106353 0.91251496587882 39.098 > 33 37 K 0.14402952842056 0.49579661893647 0.16251496587882 39.098 > 37 38 K 0.14402952842056 0.99579661893647 0.16251496587882 39.098 > 37 39 K 0.14402952842056 0.49579661893647 0.66251496587882 39.098 > 37 40 K 0.14402952842056 0.99579661893647 0.66251496587882 39.098 > 37 41 K 0.64402952842056 0.25420338106353 0.08748503412118 39.098 > 41 42 K 0.64402952842056 0.75420338106353 0.08748503412118 39.098 > 41 43 K 0.64402952842056 0.25420338106353 0.58748503412118 39.098 > 41 44 K 0.64402952842056 0.75420338106353 0.58748503412118 39.098 > 41 45 K 0.85597047157944 0.24579661893647 0.33748503412118 39.098 > 45 46 K 0.85597047157944 0.74579661893647 0.33748503412118 39.098 > 45 47 K 0.85597047157944 0.24579661893647 0.83748503412118 39.098 > 45 48 K 0.85597047157944 0.74579661893647 0.83748503412118 39.098 > 45 49 N 0.88438035140202 0.37500000000000 0.14327643201734 14.007 > 49 50 N 0.88438035140202 0.87500000000000 0.14327643201734 14.007 > 49 51 N 0.88438035140202 0.37500000000000 0.64327643201733 14.007 > 49 52 N 0.88438035140202 0.87500000000000 0.64327643201733 14.007 > 49 53 N 0.61561964859798 0.12500000000000 0.39327643201733 14.007 > 53 54 N 0.61561964859798 0.62500000000000 0.39327643201733 14.007 > 53 55 N 0.61561964859798 0.12500000000000 0.89327643201733 14.007 > 53 56 N 0.61561964859798 0.62500000000000 0.89327643201733 14.007 > 53 57 N 0.11561964859797 0.12500000000000 0.35672356798267 14.007 > 57 58 N 0.11561964859797 0.62500000000000 0.35672356798267 14.007 > 57 59 N 0.11561964859797 0.12500000000000 0.85672356798267 14.007 > 57 60 N 0.11561964859797 0.62500000000000 0.85672356798267 14.007 > 57 61 N 0.38438035140202 0.37500000000000 0.10672356798266 14.007 > 61 62 N 0.38438035140202 0.87500000000000 0.10672356798266 14.007 > 61 63 N 0.38438035140202 0.37500000000000 0.60672356798267 14.007 > 61 64 N 0.38438035140202 0.87500000000000 0.60672356798267 14.007 > 61 65 O 0.97986195383074 0.37500000000000 0.22456319479932 15.999 > 65 66 O 0.97986195383074 0.87500000000000 0.22456319479932 15.999 > 65 67 O 0.97986195383074 0.37500000000000 0.72456319479932 15.999 > 65 68 O 0.97986195383074 0.87500000000000 0.72456319479932 15.999 > 65 69 O 0.52013804616926 0.12500000000000 0.47456319479932 15.999 > 69 70 O 0.52013804616926 0.62500000000000 0.47456319479932 15.999 > 69 71 O 0.52013804616926 0.12500000000000 0.97456319479932 15.999 > 69 72 O 0.52013804616926 0.62500000000000 0.97456319479932 15.999 > 69 73 O 0.02013804616926 0.12500000000000 0.27543680520068 15.999 > 73 74 O 0.02013804616926 0.62500000000000 0.27543680520068 15.999 > 73 75 O 0.02013804616926 0.12500000000000 0.77543680520068 15.999 > 73 76 O 0.02013804616926 0.62500000000000 0.77543680520068 15.999 > 73 77 O 0.47986195383074 0.37500000000000 0.02543680520068 15.999 > 77 78 O 0.47986195383074 0.87500000000000 0.02543680520068 15.999 > 77 79 O 0.47986195383074 0.37500000000000 0.52543680520068 15.999 > 77 80 O 0.47986195383074 0.87500000000000 0.52543680520068 15.999 > 77 81 O 0.77329892660951 0.37500000000000 0.20286266065268 15.999 > 81 82 O 0.77329892660951 0.87500000000000 0.20286266065268 15.999 > 81 83 O 0.77329892660951 0.37500000000000 0.70286266065268 15.999 > 81 84 O 0.77329892660951 0.87500000000000 0.70286266065268 15.999 > 81 85 O 0.72670107339049 0.12500000000000 0.45286266065268 15.999 > 85 86 O 0.72670107339049 0.62500000000000 0.45286266065268 15.999 > 85 87 O 0.72670107339049 0.12500000000000 0.95286266065268 15.999 > 85 88 O 0.72670107339049 0.62500000000000 0.95286266065268 15.999 > 85 89 O 0.22670107339049 0.12500000000000 0.29713733934732 15.999 > 89 90 O 0.22670107339049 0.62500000000000 0.29713733934732 15.999 > 89 91 O 0.22670107339049 0.12500000000000 0.79713733934732 15.999 > 89 92 O 0.22670107339049 0.62500000000000 0.79713733934732 15.999 > 89 93 O 0.27329892660951 0.37500000000000 0.04713733934732 15.999 > 93 94 O 0.27329892660951 0.87500000000000 0.04713733934732 15.999 > 93 95 O 0.27329892660951 0.37500000000000 0.54713733934732 15.999 > 93 96 O 0.27329892660951 0.87500000000000 0.54713733934732 15.999 > 93 97 O 0.89280655955558 0.44672994799224 0.07486661180674 15.999 > 97 98 O 0.89280655955558 0.94672994799224 0.07486661180674 15.999 > 97 99 O 0.89280655955558 0.44672994799224 0.57486661180674 15.999 > 97 100 O 0.89280655955558 0.94672994799224 0.57486661180674 15.999 > 97 101 O 0.60719344044442 0.05327005200776 0.32486661180674 15.999 > 101 102 O 0.60719344044442 0.55327005200776 0.32486661180674 15.999 > 101 103 O 0.60719344044442 0.05327005200776 0.82486661180674 15.999 > 101 104 O 0.60719344044442 0.55327005200776 0.82486661180674 15.999 > 101 105 O 0.10719344044442 0.19672994799224 0.42513338819326 15.999 > 105 106 O 0.10719344044442 0.69672994799224 0.42513338819326 15.999 > 105 107 O 0.10719344044442 0.19672994799224 0.92513338819326 15.999 > 105 108 O 0.10719344044442 0.69672994799224 0.92513338819326 15.999 > 105 109 O 0.39280655955558 0.30327005200776 0.17513338819326 15.999 > 109 110 O 0.39280655955558 0.80327005200776 0.17513338819326 15.999 > 109 111 O 0.39280655955558 0.30327005200776 0.67513338819326 15.999 > 109 112 O 0.39280655955558 0.80327005200776 0.67513338819326 15.999 > 109 113 O 0.10719344044442 0.05327005200776 0.42513338819326 15.999 > 113 114 O 0.10719344044442 0.55327005200776 0.42513338819326 15.999 > 113 115 O 0.10719344044442 0.05327005200776 0.92513338819326 15.999 > 113 116 O 0.10719344044442 0.55327005200776 0.92513338819326 15.999 > 113 117 O 0.39280655955558 0.44672994799224 0.17513338819326 15.999 > 117 118 O 0.39280655955558 0.94672994799224 0.17513338819326 15.999 > 117 119 O 0.39280655955558 0.44672994799224 0.67513338819326 15.999 > 117 120 O 0.39280655955558 0.94672994799224 0.67513338819326 15.999 > 117 121 O 0.89280655955558 0.30327005200776 0.07486661180674 15.999 > 121 122 O 0.89280655955558 0.80327005200776 0.07486661180674 15.999 > 121 123 O 0.89280655955558 0.30327005200776 0.57486661180674 15.999 > 121 124 O 0.89280655955558 0.80327005200776 0.57486661180674 15.999 > 121 125 O 0.60719344044442 0.19672994799224 0.32486661180674 15.999 > 125 126 O 0.60719344044442 0.69672994799224 0.32486661180674 15.999 > 125 127 O 0.60719344044442 0.19672994799224 0.82486661180674 15.999 > 125 128 O 0.60719344044442 0.69672994799224 0.82486661180674 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5888818 0.0000000 0.0000000 0.0000000 2.5751149 0.0000000 0.0000000 0.0000000 2.5657422 -------------------------- Born effective charges -------------------------- 1 K 1.2336303 0.0000000 -0.1061240 0.0000000 1.2245136 0.0000000 -0.0218351 0.0000000 1.2614191 2 K 1.2336303 0.0000000 0.1061240 0.0000000 1.2245136 0.0000000 0.0218351 0.0000000 1.2614191 3 K 1.2336303 0.0000000 -0.1061240 0.0000000 1.2245136 0.0000000 -0.0218351 0.0000000 1.2614191 4 K 1.2336303 0.0000000 0.1061240 0.0000000 1.2245136 0.0000000 0.0218351 0.0000000 1.2614191 5 K 1.1897431 -0.0218425 0.0523699 -0.0348780 1.1616264 -0.1276191 0.0375688 -0.1503021 1.1074976 6 K 1.1897431 -0.0218425 -0.0523699 -0.0348780 1.1616264 0.1276191 -0.0375688 0.1503021 1.1074976 7 K 1.1897431 0.0218425 0.0523699 0.0348780 1.1616264 0.1276191 0.0375688 0.1503021 1.1074976 8 K 1.1897431 0.0218425 -0.0523699 0.0348780 1.1616264 -0.1276191 -0.0375688 -0.1503021 1.1074976 9 K 1.1897431 -0.0218425 0.0523699 -0.0348780 1.1616264 -0.1276191 0.0375688 -0.1503021 1.1074976 10 K 1.1897431 -0.0218425 -0.0523699 -0.0348780 1.1616264 0.1276191 -0.0375688 0.1503021 1.1074976 11 K 1.1897431 0.0218425 0.0523699 0.0348780 1.1616264 0.1276191 0.0375688 0.1503021 1.1074976 12 K 1.1897431 0.0218425 -0.0523699 0.0348780 1.1616264 -0.1276191 -0.0375688 -0.1503021 1.1074976 13 N 2.2585579 0.0000000 -0.0595532 0.0000000 2.3394360 0.0000000 -0.0426101 0.0000000 2.2480814 14 N 2.2585579 0.0000000 0.0595532 0.0000000 2.3394360 0.0000000 0.0426101 0.0000000 2.2480814 15 N 2.2585579 0.0000000 -0.0595532 0.0000000 2.3394360 0.0000000 -0.0426101 0.0000000 2.2480814 16 N 2.2585579 0.0000000 0.0595532 0.0000000 2.3394360 0.0000000 0.0426101 0.0000000 2.2480814 17 O -1.6865138 0.0000000 -0.5751316 0.0000000 -1.1015984 0.0000000 -0.5572730 0.0000000 -1.6162553 18 O -1.6865138 0.0000000 0.5751316 0.0000000 -1.1015984 0.0000000 0.5572730 0.0000000 -1.6162553 19 O -1.6865138 0.0000000 -0.5751316 0.0000000 -1.1015984 0.0000000 -0.5572730 0.0000000 -1.6162553 20 O -1.6865138 0.0000000 0.5751316 0.0000000 -1.1015984 0.0000000 0.5572730 0.0000000 -1.6162553 21 O -2.0437835 0.0000000 0.4814103 0.0000000 -1.1177310 0.0000000 0.4998881 0.0000000 -1.3094442 22 O -2.0437835 0.0000000 -0.4814103 0.0000000 -1.1177310 0.0000000 -0.4998881 0.0000000 -1.3094442 23 O -2.0437835 0.0000000 0.4814103 0.0000000 -1.1177310 0.0000000 0.4998881 0.0000000 -1.3094442 24 O -2.0437835 0.0000000 -0.4814103 0.0000000 -1.1177310 0.0000000 -0.4998881 0.0000000 -1.3094442 25 O -1.0706886 -0.0374087 0.0967734 -0.0228582 -1.8339365 0.5602270 0.0897512 0.5599932 -1.3993981 26 O -1.0706886 -0.0374087 -0.0967734 -0.0228582 -1.8339365 -0.5602270 -0.0897512 -0.5599932 -1.3993981 27 O -1.0706886 0.0374087 0.0967734 0.0228582 -1.8339365 -0.5602270 0.0897512 -0.5599932 -1.3993981 28 O -1.0706886 0.0374087 -0.0967734 0.0228582 -1.8339365 0.5602270 -0.0897512 0.5599932 -1.3993981 29 O -1.0706886 -0.0374087 0.0967734 -0.0228582 -1.8339365 0.5602270 0.0897512 0.5599932 -1.3993981 30 O -1.0706886 -0.0374087 -0.0967734 -0.0228582 -1.8339365 -0.5602270 -0.0897512 -0.5599932 -1.3993981 31 O -1.0706886 0.0374087 0.0967734 0.0228582 -1.8339365 -0.5602270 0.0897512 -0.5599932 -1.3993981 32 O -1.0706886 0.0374087 -0.0967734 0.0228582 -1.8339365 0.5602270 -0.0897512 0.5599932 -1.3993981 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xzx) -0.00000003 (xzx) -0.00000003 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:53:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:53:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.915270740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.976387060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.738143850000000 Atomic positions (fractional): 1 K 0.56814842123347 0.75000000000000 0.62590298066809 39.098 2 K 0.93185157876653 0.25000000000000 0.12590298066809 39.098 3 K 0.43185157876653 0.25000000000000 0.37409701933191 39.098 4 K 0.06814842123347 0.75000000000000 0.87409701933191 39.098 5 K 0.64402952842056 0.99159323787294 0.17497006824236 39.098 6 K 0.85597047157944 0.00840676212706 0.67497006824236 39.098 7 K 0.35597047157944 0.49159323787294 0.82502993175764 39.098 8 K 0.14402952842056 0.50840676212706 0.32502993175764 39.098 9 K 0.35597047157944 0.00840676212706 0.82502993175764 39.098 10 K 0.14402952842056 0.99159323787294 0.32502993175764 39.098 11 K 0.64402952842056 0.50840676212706 0.17497006824236 39.098 12 K 0.85597047157944 0.49159323787294 0.67497006824236 39.098 13 N 0.88438035140202 0.75000000000000 0.28655286403467 14.007 14 N 0.61561964859798 0.25000000000000 0.78655286403467 14.007 15 N 0.11561964859797 0.25000000000000 0.71344713596533 14.007 16 N 0.38438035140202 0.75000000000000 0.21344713596533 14.007 17 O 0.97986195383074 0.75000000000000 0.44912638959864 15.999 18 O 0.52013804616926 0.25000000000000 0.94912638959864 15.999 19 O 0.02013804616926 0.25000000000000 0.55087361040136 15.999 20 O 0.47986195383074 0.75000000000000 0.05087361040136 15.999 21 O 0.77329892660951 0.75000000000000 0.40572532130535 15.999 22 O 0.72670107339049 0.25000000000000 0.90572532130535 15.999 23 O 0.22670107339049 0.25000000000000 0.59427467869465 15.999 24 O 0.27329892660951 0.75000000000000 0.09427467869464 15.999 25 O 0.89280655955558 0.89345989598447 0.14973322361349 15.999 26 O 0.60719344044442 0.10654010401553 0.64973322361348 15.999 27 O 0.10719344044442 0.39345989598447 0.85026677638652 15.999 28 O 0.39280655955558 0.60654010401553 0.35026677638651 15.999 29 O 0.10719344044442 0.10654010401553 0.85026677638652 15.999 30 O 0.39280655955558 0.89345989598447 0.35026677638651 15.999 31 O 0.89280655955558 0.60654010401553 0.14973322361349 15.999 32 O 0.60719344044442 0.39345989598447 0.64973322361348 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.915270740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.952774120000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.476287700000000 Atomic positions (fractional): 1 K 0.56814842123347 0.37500000000000 0.31295149033404 39.098 > 1 2 K 0.56814842123347 0.87500000000000 0.31295149033404 39.098 > 1 3 K 0.56814842123347 0.37500000000000 0.81295149033404 39.098 > 1 4 K 0.56814842123347 0.87500000000000 0.81295149033404 39.098 > 1 5 K 0.93185157876653 0.12500000000000 0.06295149033404 39.098 > 5 6 K 0.93185157876653 0.62500000000000 0.06295149033404 39.098 > 5 7 K 0.93185157876653 0.12500000000000 0.56295149033404 39.098 > 5 8 K 0.93185157876653 0.62500000000000 0.56295149033404 39.098 > 5 9 K 0.43185157876653 0.12500000000000 0.18704850966596 39.098 > 9 10 K 0.43185157876653 0.62500000000000 0.18704850966596 39.098 > 9 11 K 0.43185157876653 0.12500000000000 0.68704850966596 39.098 > 9 12 K 0.43185157876653 0.62500000000000 0.68704850966596 39.098 > 9 13 K 0.06814842123347 0.37500000000000 0.43704850966596 39.098 > 13 14 K 0.06814842123347 0.87500000000000 0.43704850966596 39.098 > 13 15 K 0.06814842123347 0.37500000000000 0.93704850966596 39.098 > 13 16 K 0.06814842123347 0.87500000000000 0.93704850966596 39.098 > 13 17 K 0.64402952842056 0.49579661893647 0.08748503412118 39.098 > 17 18 K 0.64402952842056 0.99579661893647 0.08748503412118 39.098 > 17 19 K 0.64402952842056 0.49579661893647 0.58748503412118 39.098 > 17 20 K 0.64402952842056 0.99579661893647 0.58748503412118 39.098 > 17 21 K 0.85597047157944 0.00420338106353 0.33748503412118 39.098 > 21 22 K 0.85597047157944 0.50420338106353 0.33748503412118 39.098 > 21 23 K 0.85597047157944 0.00420338106353 0.83748503412118 39.098 > 21 24 K 0.85597047157944 0.50420338106353 0.83748503412118 39.098 > 21 25 K 0.35597047157944 0.24579661893647 0.41251496587882 39.098 > 25 26 K 0.35597047157944 0.74579661893647 0.41251496587882 39.098 > 25 27 K 0.35597047157944 0.24579661893647 0.91251496587882 39.098 > 25 28 K 0.35597047157944 0.74579661893647 0.91251496587882 39.098 > 25 29 K 0.14402952842056 0.25420338106353 0.16251496587882 39.098 > 29 30 K 0.14402952842056 0.75420338106353 0.16251496587882 39.098 > 29 31 K 0.14402952842056 0.25420338106353 0.66251496587882 39.098 > 29 32 K 0.14402952842056 0.75420338106353 0.66251496587882 39.098 > 29 33 K 0.35597047157944 0.00420338106353 0.41251496587882 39.098 > 33 34 K 0.35597047157944 0.50420338106353 0.41251496587882 39.098 > 33 35 K 0.35597047157944 0.00420338106353 0.91251496587882 39.098 > 33 36 K 0.35597047157944 0.50420338106353 0.91251496587882 39.098 > 33 37 K 0.14402952842056 0.49579661893647 0.16251496587882 39.098 > 37 38 K 0.14402952842056 0.99579661893647 0.16251496587882 39.098 > 37 39 K 0.14402952842056 0.49579661893647 0.66251496587882 39.098 > 37 40 K 0.14402952842056 0.99579661893647 0.66251496587882 39.098 > 37 41 K 0.64402952842056 0.25420338106353 0.08748503412118 39.098 > 41 42 K 0.64402952842056 0.75420338106353 0.08748503412118 39.098 > 41 43 K 0.64402952842056 0.25420338106353 0.58748503412118 39.098 > 41 44 K 0.64402952842056 0.75420338106353 0.58748503412118 39.098 > 41 45 K 0.85597047157944 0.24579661893647 0.33748503412118 39.098 > 45 46 K 0.85597047157944 0.74579661893647 0.33748503412118 39.098 > 45 47 K 0.85597047157944 0.24579661893647 0.83748503412118 39.098 > 45 48 K 0.85597047157944 0.74579661893647 0.83748503412118 39.098 > 45 49 N 0.88438035140202 0.37500000000000 0.14327643201734 14.007 > 49 50 N 0.88438035140202 0.87500000000000 0.14327643201734 14.007 > 49 51 N 0.88438035140202 0.37500000000000 0.64327643201733 14.007 > 49 52 N 0.88438035140202 0.87500000000000 0.64327643201733 14.007 > 49 53 N 0.61561964859798 0.12500000000000 0.39327643201733 14.007 > 53 54 N 0.61561964859798 0.62500000000000 0.39327643201733 14.007 > 53 55 N 0.61561964859798 0.12500000000000 0.89327643201733 14.007 > 53 56 N 0.61561964859798 0.62500000000000 0.89327643201733 14.007 > 53 57 N 0.11561964859797 0.12500000000000 0.35672356798267 14.007 > 57 58 N 0.11561964859797 0.62500000000000 0.35672356798267 14.007 > 57 59 N 0.11561964859797 0.12500000000000 0.85672356798267 14.007 > 57 60 N 0.11561964859797 0.62500000000000 0.85672356798267 14.007 > 57 61 N 0.38438035140202 0.37500000000000 0.10672356798266 14.007 > 61 62 N 0.38438035140202 0.87500000000000 0.10672356798266 14.007 > 61 63 N 0.38438035140202 0.37500000000000 0.60672356798267 14.007 > 61 64 N 0.38438035140202 0.87500000000000 0.60672356798267 14.007 > 61 65 O 0.97986195383074 0.37500000000000 0.22456319479932 15.999 > 65 66 O 0.97986195383074 0.87500000000000 0.22456319479932 15.999 > 65 67 O 0.97986195383074 0.37500000000000 0.72456319479932 15.999 > 65 68 O 0.97986195383074 0.87500000000000 0.72456319479932 15.999 > 65 69 O 0.52013804616926 0.12500000000000 0.47456319479932 15.999 > 69 70 O 0.52013804616926 0.62500000000000 0.47456319479932 15.999 > 69 71 O 0.52013804616926 0.12500000000000 0.97456319479932 15.999 > 69 72 O 0.52013804616926 0.62500000000000 0.97456319479932 15.999 > 69 73 O 0.02013804616926 0.12500000000000 0.27543680520068 15.999 > 73 74 O 0.02013804616926 0.62500000000000 0.27543680520068 15.999 > 73 75 O 0.02013804616926 0.12500000000000 0.77543680520068 15.999 > 73 76 O 0.02013804616926 0.62500000000000 0.77543680520068 15.999 > 73 77 O 0.47986195383074 0.37500000000000 0.02543680520068 15.999 > 77 78 O 0.47986195383074 0.87500000000000 0.02543680520068 15.999 > 77 79 O 0.47986195383074 0.37500000000000 0.52543680520068 15.999 > 77 80 O 0.47986195383074 0.87500000000000 0.52543680520068 15.999 > 77 81 O 0.77329892660951 0.37500000000000 0.20286266065268 15.999 > 81 82 O 0.77329892660951 0.87500000000000 0.20286266065268 15.999 > 81 83 O 0.77329892660951 0.37500000000000 0.70286266065268 15.999 > 81 84 O 0.77329892660951 0.87500000000000 0.70286266065268 15.999 > 81 85 O 0.72670107339049 0.12500000000000 0.45286266065268 15.999 > 85 86 O 0.72670107339049 0.62500000000000 0.45286266065268 15.999 > 85 87 O 0.72670107339049 0.12500000000000 0.95286266065268 15.999 > 85 88 O 0.72670107339049 0.62500000000000 0.95286266065268 15.999 > 85 89 O 0.22670107339049 0.12500000000000 0.29713733934732 15.999 > 89 90 O 0.22670107339049 0.62500000000000 0.29713733934732 15.999 > 89 91 O 0.22670107339049 0.12500000000000 0.79713733934732 15.999 > 89 92 O 0.22670107339049 0.62500000000000 0.79713733934732 15.999 > 89 93 O 0.27329892660951 0.37500000000000 0.04713733934732 15.999 > 93 94 O 0.27329892660951 0.87500000000000 0.04713733934732 15.999 > 93 95 O 0.27329892660951 0.37500000000000 0.54713733934732 15.999 > 93 96 O 0.27329892660951 0.87500000000000 0.54713733934732 15.999 > 93 97 O 0.89280655955558 0.44672994799224 0.07486661180674 15.999 > 97 98 O 0.89280655955558 0.94672994799224 0.07486661180674 15.999 > 97 99 O 0.89280655955558 0.44672994799224 0.57486661180674 15.999 > 97 100 O 0.89280655955558 0.94672994799224 0.57486661180674 15.999 > 97 101 O 0.60719344044442 0.05327005200776 0.32486661180674 15.999 > 101 102 O 0.60719344044442 0.55327005200776 0.32486661180674 15.999 > 101 103 O 0.60719344044442 0.05327005200776 0.82486661180674 15.999 > 101 104 O 0.60719344044442 0.55327005200776 0.82486661180674 15.999 > 101 105 O 0.10719344044442 0.19672994799224 0.42513338819326 15.999 > 105 106 O 0.10719344044442 0.69672994799224 0.42513338819326 15.999 > 105 107 O 0.10719344044442 0.19672994799224 0.92513338819326 15.999 > 105 108 O 0.10719344044442 0.69672994799224 0.92513338819326 15.999 > 105 109 O 0.39280655955558 0.30327005200776 0.17513338819326 15.999 > 109 110 O 0.39280655955558 0.80327005200776 0.17513338819326 15.999 > 109 111 O 0.39280655955558 0.30327005200776 0.67513338819326 15.999 > 109 112 O 0.39280655955558 0.80327005200776 0.67513338819326 15.999 > 109 113 O 0.10719344044442 0.05327005200776 0.42513338819326 15.999 > 113 114 O 0.10719344044442 0.55327005200776 0.42513338819326 15.999 > 113 115 O 0.10719344044442 0.05327005200776 0.92513338819326 15.999 > 113 116 O 0.10719344044442 0.55327005200776 0.92513338819326 15.999 > 113 117 O 0.39280655955558 0.44672994799224 0.17513338819326 15.999 > 117 118 O 0.39280655955558 0.94672994799224 0.17513338819326 15.999 > 117 119 O 0.39280655955558 0.44672994799224 0.67513338819326 15.999 > 117 120 O 0.39280655955558 0.94672994799224 0.67513338819326 15.999 > 117 121 O 0.89280655955558 0.30327005200776 0.07486661180674 15.999 > 121 122 O 0.89280655955558 0.80327005200776 0.07486661180674 15.999 > 121 123 O 0.89280655955558 0.30327005200776 0.57486661180674 15.999 > 121 124 O 0.89280655955558 0.80327005200776 0.57486661180674 15.999 > 121 125 O 0.60719344044442 0.19672994799224 0.32486661180674 15.999 > 125 126 O 0.60719344044442 0.69672994799224 0.32486661180674 15.999 > 125 127 O 0.60719344044442 0.19672994799224 0.82486661180674 15.999 > 125 128 O 0.60719344044442 0.69672994799224 0.82486661180674 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5888818 0.0000000 0.0000000 0.0000000 2.5751149 0.0000000 0.0000000 0.0000000 2.5657422 -------------------------- Born effective charges -------------------------- 1 K 1.2336303 0.0000000 -0.1061240 0.0000000 1.2245136 0.0000000 -0.0218351 0.0000000 1.2614191 2 K 1.2336303 0.0000000 0.1061240 0.0000000 1.2245136 0.0000000 0.0218351 0.0000000 1.2614191 3 K 1.2336303 0.0000000 -0.1061240 0.0000000 1.2245136 0.0000000 -0.0218351 0.0000000 1.2614191 4 K 1.2336303 0.0000000 0.1061240 0.0000000 1.2245136 0.0000000 0.0218351 0.0000000 1.2614191 5 K 1.1897431 -0.0218425 0.0523699 -0.0348780 1.1616264 -0.1276191 0.0375688 -0.1503021 1.1074976 6 K 1.1897431 -0.0218425 -0.0523699 -0.0348780 1.1616264 0.1276191 -0.0375688 0.1503021 1.1074976 7 K 1.1897431 0.0218425 0.0523699 0.0348780 1.1616264 0.1276191 0.0375688 0.1503021 1.1074976 8 K 1.1897431 0.0218425 -0.0523699 0.0348780 1.1616264 -0.1276191 -0.0375688 -0.1503021 1.1074976 9 K 1.1897431 -0.0218425 0.0523699 -0.0348780 1.1616264 -0.1276191 0.0375688 -0.1503021 1.1074976 10 K 1.1897431 -0.0218425 -0.0523699 -0.0348780 1.1616264 0.1276191 -0.0375688 0.1503021 1.1074976 11 K 1.1897431 0.0218425 0.0523699 0.0348780 1.1616264 0.1276191 0.0375688 0.1503021 1.1074976 12 K 1.1897431 0.0218425 -0.0523699 0.0348780 1.1616264 -0.1276191 -0.0375688 -0.1503021 1.1074976 13 N 2.2585579 0.0000000 -0.0595532 0.0000000 2.3394360 0.0000000 -0.0426101 0.0000000 2.2480814 14 N 2.2585579 0.0000000 0.0595532 0.0000000 2.3394360 0.0000000 0.0426101 0.0000000 2.2480814 15 N 2.2585579 0.0000000 -0.0595532 0.0000000 2.3394360 0.0000000 -0.0426101 0.0000000 2.2480814 16 N 2.2585579 0.0000000 0.0595532 0.0000000 2.3394360 0.0000000 0.0426101 0.0000000 2.2480814 17 O -1.6865138 0.0000000 -0.5751316 0.0000000 -1.1015984 0.0000000 -0.5572730 0.0000000 -1.6162553 18 O -1.6865138 0.0000000 0.5751316 0.0000000 -1.1015984 0.0000000 0.5572730 0.0000000 -1.6162553 19 O -1.6865138 0.0000000 -0.5751316 0.0000000 -1.1015984 0.0000000 -0.5572730 0.0000000 -1.6162553 20 O -1.6865138 0.0000000 0.5751316 0.0000000 -1.1015984 0.0000000 0.5572730 0.0000000 -1.6162553 21 O -2.0437835 0.0000000 0.4814103 0.0000000 -1.1177310 0.0000000 0.4998881 0.0000000 -1.3094442 22 O -2.0437835 0.0000000 -0.4814103 0.0000000 -1.1177310 0.0000000 -0.4998881 0.0000000 -1.3094442 23 O -2.0437835 0.0000000 0.4814103 0.0000000 -1.1177310 0.0000000 0.4998881 0.0000000 -1.3094442 24 O -2.0437835 0.0000000 -0.4814103 0.0000000 -1.1177310 0.0000000 -0.4998881 0.0000000 -1.3094442 25 O -1.0706886 -0.0374087 0.0967734 -0.0228582 -1.8339365 0.5602270 0.0897512 0.5599932 -1.3993981 26 O -1.0706886 -0.0374087 -0.0967734 -0.0228582 -1.8339365 -0.5602270 -0.0897512 -0.5599932 -1.3993981 27 O -1.0706886 0.0374087 0.0967734 0.0228582 -1.8339365 -0.5602270 0.0897512 -0.5599932 -1.3993981 28 O -1.0706886 0.0374087 -0.0967734 0.0228582 -1.8339365 0.5602270 -0.0897512 0.5599932 -1.3993981 29 O -1.0706886 -0.0374087 0.0967734 -0.0228582 -1.8339365 0.5602270 0.0897512 0.5599932 -1.3993981 30 O -1.0706886 -0.0374087 -0.0967734 -0.0228582 -1.8339365 -0.5602270 -0.0897512 -0.5599932 -1.3993981 31 O -1.0706886 0.0374087 0.0967734 0.0228582 -1.8339365 -0.5602270 0.0897512 -0.5599932 -1.3993981 32 O -1.0706886 0.0374087 -0.0967734 0.0228582 -1.8339365 0.5602270 -0.0897512 0.5599932 -1.3993981 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xzx) -0.00000003 (xzx) -0.00000003 (xxz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 6 9 ] 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: 0.52, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.758 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 3.625 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.757 ( 0.000 0.000 0.000) 0.000 4.043 ( 0.000 0.000 0.000) 0.000 4.086 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.697 ( 0.000 0.000 0.000) 0.000 5.716 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 0.000 0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 6.405 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.715 ( 0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 7.243 ( 0.000 0.000 0.000) 0.000 14.452 ( 0.000 0.000 0.000) 0.000 14.481 ( 0.000 0.000 0.000) 0.000 14.496 ( 0.000 0.000 0.000) 0.000 14.698 ( 0.000 0.000 0.000) 0.000 14.727 ( 0.000 0.000 0.000) 0.000 14.734 ( 0.000 0.000 0.000) 0.000 14.866 ( 0.000 0.000 0.000) 0.000 14.895 ( 0.000 0.000 0.000) 0.000 17.808 ( 0.000 0.000 0.000) 0.000 17.853 ( 0.000 0.000 0.000) 0.000 17.910 ( 0.000 0.000 0.000) 0.000 18.012 ( 0.000 0.000 0.000) 0.000 18.134 ( 0.000 0.000 0.000) 0.000 18.150 ( 0.000 0.000 0.000) 0.000 18.232 ( 0.000 0.000 0.000) 0.000 18.248 ( 0.000 0.000 0.000) 0.000 18.368 ( 0.000 0.000 0.000) 0.000 18.380 ( 0.000 0.000 0.000) 0.000 18.511 ( 0.000 0.000 0.000) 0.000 18.645 ( 0.000 0.000 0.000) 0.000 24.800 ( 0.000 0.000 0.000) 0.000 24.801 ( 0.000 0.000 0.000) 0.000 24.818 ( 0.000 0.000 0.000) 0.000 24.836 ( 0.000 0.000 0.000) 0.000 25.873 ( 0.000 0.000 0.000) 0.000 25.922 ( 0.000 0.000 0.000) 0.000 25.931 ( 0.000 0.000 0.000) 0.000 26.132 ( 0.000 0.000 0.000) 0.000 26.276 ( 0.000 0.000 0.000) 0.000 26.283 ( 0.000 0.000 0.000) 0.000 26.390 ( 0.000 0.000 0.000) 0.000 26.409 ( 0.000 0.000 0.000) 0.000 26.502 ( 0.000 0.000 0.000) 0.000 27.129 ( 0.000 0.000 0.000) 0.000 27.195 ( 0.000 0.000 0.000) 0.000 27.708 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 30.427 0.000 0.000) 30.427 0.576 ( 31.087 0.000 0.000) 31.087 0.964 ( 51.459 0.000 0.000) 51.459 1.771 ( -0.148 0.000 0.000) 0.148 2.016 ( 0.183 0.000 0.000) 0.183 2.076 ( -8.558 0.000 0.000) 8.558 2.147 ( -24.304 0.000 0.000) 24.304 2.444 ( 4.208 0.000 0.000) 4.208 2.541 ( -1.290 0.000 0.000) 1.290 2.630 ( -5.233 0.000 0.000) 5.233 2.686 ( 5.553 0.000 0.000) 5.553 2.961 ( -12.537 0.000 0.000) 12.537 2.967 ( 1.268 0.000 0.000) 1.268 3.059 ( -7.414 0.000 0.000) 7.414 3.097 ( 2.966 0.000 0.000) 2.966 3.133 ( -8.294 0.000 0.000) 8.294 3.138 ( -8.094 0.000 0.000) 8.094 3.148 ( -2.574 0.000 0.000) 2.574 3.294 ( 5.936 0.000 0.000) 5.936 3.358 ( 2.826 0.000 0.000) 2.826 3.478 ( 13.571 0.000 0.000) 13.571 3.517 ( 2.375 0.000 0.000) 2.375 3.581 ( -1.310 0.000 0.000) 1.310 3.663 ( 3.719 0.000 0.000) 3.719 3.714 ( -1.459 0.000 0.000) 1.459 3.841 ( 10.638 0.000 0.000) 10.638 3.873 ( 11.935 0.000 0.000) 11.935 3.924 ( -21.259 0.000 0.000) 21.259 4.111 ( -9.552 0.000 0.000) 9.552 4.199 ( -1.089 0.000 0.000) 1.089 4.310 ( 5.950 0.000 0.000) 5.950 4.442 ( -9.434 0.000 0.000) 9.434 4.451 ( 10.870 0.000 0.000) 10.870 4.568 ( -1.796 0.000 0.000) 1.796 4.578 ( -2.689 0.000 0.000) 2.689 4.790 ( 1.537 0.000 0.000) 1.537 4.826 ( 4.664 0.000 0.000) 4.664 4.870 ( -0.403 0.000 0.000) 0.403 5.012 ( 11.293 0.000 0.000) 11.293 5.242 ( -2.937 0.000 0.000) 2.937 5.303 ( 0.082 0.000 0.000) 0.082 5.469 ( -7.269 0.000 0.000) 7.269 5.652 ( 0.359 0.000 0.000) 0.359 5.660 ( 0.235 0.000 0.000) 0.235 5.711 ( -1.733 0.000 0.000) 1.733 5.754 ( -2.318 0.000 0.000) 2.318 5.792 ( 8.987 0.000 0.000) 8.987 5.822 ( 0.946 0.000 0.000) 0.946 5.871 ( -0.073 0.000 0.000) 0.073 5.948 ( -2.035 0.000 0.000) 2.035 6.081 ( -1.352 0.000 0.000) 1.352 6.089 ( 1.707 0.000 0.000) 1.707 6.153 ( 6.146 0.000 0.000) 6.146 6.322 ( -2.835 0.000 0.000) 2.835 6.358 ( -4.786 0.000 0.000) 4.786 6.691 ( 0.429 0.000 0.000) 0.429 6.713 ( -0.254 0.000 0.000) 0.254 6.729 ( -16.749 0.000 0.000) 16.749 7.503 ( 18.015 0.000 0.000) 18.015 8.197 ( -5.422 0.000 0.000) 5.422 14.450 ( -0.163 0.000 0.000) 0.163 14.460 ( -1.027 0.000 0.000) 1.027 14.534 ( 2.802 0.000 0.000) 2.802 14.687 ( -1.611 0.000 0.000) 1.611 14.740 ( 1.365 0.000 0.000) 1.365 14.751 ( 1.784 0.000 0.000) 1.784 14.852 ( -1.517 0.000 0.000) 1.517 14.882 ( -1.399 0.000 0.000) 1.399 17.809 ( 0.183 0.000 0.000) 0.183 17.846 ( -0.703 0.000 0.000) 0.703 18.025 ( 1.347 0.000 0.000) 1.347 18.135 ( 0.155 0.000 0.000) 0.155 18.148 ( -0.173 0.000 0.000) 0.173 18.154 ( -1.999 0.000 0.000) 1.999 18.235 ( 0.273 0.000 0.000) 0.273 18.248 ( -0.078 0.000 0.000) 0.078 18.370 ( 0.132 0.000 0.000) 0.132 18.379 ( -0.109 0.000 0.000) 0.109 18.646 ( 0.149 0.000 0.000) 0.149 18.649 ( 0.140 0.000 0.000) 0.140 24.799 ( -0.010 0.000 0.000) 0.010 24.807 ( 0.437 0.000 0.000) 0.437 24.815 ( -0.339 0.000 0.000) 0.339 24.834 ( -0.236 0.000 0.000) 0.236 25.944 ( 1.446 0.000 0.000) 1.446 25.998 ( 7.763 0.000 0.000) 7.763 26.136 ( 0.440 0.000 0.000) 0.440 26.170 ( -6.952 0.000 0.000) 6.952 26.213 ( -2.578 0.000 0.000) 2.578 26.356 ( 5.572 0.000 0.000) 5.572 26.369 ( -2.316 0.000 0.000) 2.316 26.555 ( 11.244 0.000 0.000) 11.244 26.998 ( -12.507 0.000 0.000) 12.507 27.138 ( -6.043 0.000 0.000) 6.043 27.775 ( 5.836 0.000 0.000) 5.836 27.990 ( -1.260 0.000 0.000) 1.260 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 29.843 0.000 0.000) 29.843 1.129 ( 28.841 0.000 0.000) 28.841 1.598 ( -20.420 0.000 0.000) 20.420 1.646 ( -27.006 0.000 0.000) 27.006 1.862 ( 42.772 0.000 0.000) 42.772 1.986 ( 0.647 0.000 0.000) 0.647 2.011 ( -0.892 0.000 0.000) 0.892 2.457 ( -17.268 0.000 0.000) 17.268 2.562 ( 8.664 0.000 0.000) 8.664 2.566 ( 4.715 0.000 0.000) 4.715 2.721 ( -11.846 0.000 0.000) 11.846 2.801 ( 6.754 0.000 0.000) 6.754 2.829 ( -21.600 0.000 0.000) 21.600 2.927 ( -6.979 0.000 0.000) 6.979 3.002 ( 2.222 0.000 0.000) 2.222 3.061 ( -3.837 0.000 0.000) 3.837 3.062 ( -0.423 0.000 0.000) 0.423 3.093 ( -2.977 0.000 0.000) 2.977 3.400 ( 5.406 0.000 0.000) 5.406 3.439 ( 5.401 0.000 0.000) 5.401 3.487 ( -3.906 0.000 0.000) 3.906 3.574 ( -11.002 0.000 0.000) 11.002 3.610 ( 2.952 0.000 0.000) 2.952 3.667 ( -3.119 0.000 0.000) 3.119 3.780 ( 6.342 0.000 0.000) 6.342 3.797 ( 16.727 0.000 0.000) 16.727 3.947 ( -6.649 0.000 0.000) 6.649 4.021 ( 7.014 0.000 0.000) 7.014 4.045 ( 4.918 0.000 0.000) 4.918 4.125 ( -12.415 0.000 0.000) 12.415 4.331 ( 0.968 0.000 0.000) 0.968 4.364 ( -0.314 0.000 0.000) 0.314 4.527 ( -1.968 0.000 0.000) 1.968 4.529 ( -1.883 0.000 0.000) 1.883 4.699 ( 14.477 0.000 0.000) 14.477 4.825 ( 1.983 0.000 0.000) 1.983 4.855 ( -1.247 0.000 0.000) 1.247 4.871 ( -1.961 0.000 0.000) 1.961 5.127 ( 1.833 0.000 0.000) 1.833 5.172 ( -3.959 0.000 0.000) 3.959 5.303 ( 0.084 0.000 0.000) 0.084 5.334 ( -5.017 0.000 0.000) 5.017 5.659 ( 0.338 0.000 0.000) 0.338 5.663 ( -0.021 0.000 0.000) 0.021 5.692 ( 0.165 0.000 0.000) 0.165 5.714 ( -1.896 0.000 0.000) 1.896 5.844 ( 1.317 0.000 0.000) 1.317 5.864 ( -0.736 0.000 0.000) 0.736 5.953 ( 2.035 0.000 0.000) 2.035 5.965 ( 5.830 0.000 0.000) 5.830 6.056 ( 1.722 0.000 0.000) 1.722 6.145 ( 4.546 0.000 0.000) 4.546 6.178 ( -5.738 0.000 0.000) 5.738 6.249 ( -6.425 0.000 0.000) 6.425 6.320 ( 5.278 0.000 0.000) 5.278 6.470 ( -11.020 0.000 0.000) 11.020 6.699 ( 0.439 0.000 0.000) 0.439 6.707 ( -0.385 0.000 0.000) 0.385 7.812 ( 15.186 0.000 0.000) 15.186 8.049 ( -10.610 0.000 0.000) 10.610 14.447 ( -0.113 0.000 0.000) 0.113 14.448 ( -0.289 0.000 0.000) 0.289 14.590 ( 3.159 0.000 0.000) 3.159 14.646 ( -2.756 0.000 0.000) 2.756 14.773 ( 2.181 0.000 0.000) 2.181 14.794 ( 2.790 0.000 0.000) 2.790 14.816 ( -2.288 0.000 0.000) 2.288 14.845 ( -2.540 0.000 0.000) 2.540 17.816 ( 0.582 0.000 0.000) 0.582 17.830 ( -0.900 0.000 0.000) 0.900 18.060 ( 2.384 0.000 0.000) 2.384 18.108 ( -2.773 0.000 0.000) 2.773 18.139 ( 0.257 0.000 0.000) 0.257 18.144 ( -0.268 0.000 0.000) 0.268 18.240 ( 0.320 0.000 0.000) 0.320 18.245 ( -0.205 0.000 0.000) 0.205 18.373 ( 0.200 0.000 0.000) 0.200 18.376 ( -0.186 0.000 0.000) 0.186 18.649 ( 0.137 0.000 0.000) 0.137 18.650 ( 0.032 0.000 0.000) 0.032 24.801 ( 0.235 0.000 0.000) 0.235 24.807 ( -0.414 0.000 0.000) 0.414 24.817 ( 0.586 0.000 0.000) 0.586 24.827 ( -0.488 0.000 0.000) 0.488 25.985 ( 3.089 0.000 0.000) 3.089 26.059 ( -5.028 0.000 0.000) 5.028 26.149 ( 0.995 0.000 0.000) 0.995 26.166 ( 7.212 0.000 0.000) 7.212 26.175 ( 0.318 0.000 0.000) 0.318 26.302 ( -5.252 0.000 0.000) 5.252 26.495 ( 10.217 0.000 0.000) 10.217 26.734 ( -14.986 0.000 0.000) 14.986 26.774 ( 12.120 0.000 0.000) 12.120 26.984 ( -10.370 0.000 0.000) 10.370 27.880 ( 5.021 0.000 0.000) 5.021 27.953 ( -2.953 0.000 0.000) 2.953 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.000 28.608 0.000) 28.608 0.645 ( 0.000 30.374 0.000) 30.374 0.986 ( 0.000 45.272 0.000) 45.272 1.787 ( 0.000 2.601 0.000) 2.601 2.078 ( 0.000 5.897 0.000) 5.897 2.113 ( 0.000 -4.439 0.000) 4.439 2.323 ( 0.000 -4.079 0.000) 4.079 2.480 ( 0.000 1.613 0.000) 1.613 2.505 ( 0.000 -7.724 0.000) 7.724 2.585 ( 0.000 -2.530 0.000) 2.530 2.621 ( 0.000 -5.446 0.000) 5.446 2.949 ( 0.000 -2.036 0.000) 2.036 2.983 ( 0.000 1.381 0.000) 1.381 3.086 ( 0.000 -12.131 0.000) 12.131 3.092 ( 0.000 -2.948 0.000) 2.948 3.131 ( 0.000 -2.321 0.000) 2.321 3.242 ( 0.000 4.895 0.000) 4.895 3.255 ( 0.000 -0.426 0.000) 0.426 3.278 ( 0.000 3.041 0.000) 3.041 3.336 ( 0.000 2.259 0.000) 2.259 3.377 ( 0.000 -5.615 0.000) 5.615 3.443 ( 0.000 4.147 0.000) 4.147 3.560 ( 0.000 -5.715 0.000) 5.715 3.681 ( 0.000 2.830 0.000) 2.830 3.715 ( 0.000 -1.362 0.000) 1.362 3.738 ( 0.000 2.668 0.000) 2.668 4.010 ( 0.000 -3.284 0.000) 3.284 4.102 ( 0.000 0.608 0.000) 0.608 4.108 ( 0.000 -7.016 0.000) 7.016 4.271 ( 0.000 3.153 0.000) 3.153 4.386 ( 0.000 2.467 0.000) 2.467 4.425 ( 0.000 7.374 0.000) 7.374 4.481 ( 0.000 -4.217 0.000) 4.217 4.554 ( 0.000 -2.908 0.000) 2.908 4.575 ( 0.000 -1.896 0.000) 1.896 4.757 ( 0.000 -1.076 0.000) 1.076 4.809 ( 0.000 -4.635 0.000) 4.635 4.908 ( 0.000 11.220 0.000) 11.220 4.968 ( 0.000 12.055 0.000) 12.055 5.295 ( 0.000 2.383 0.000) 2.383 5.332 ( 0.000 1.163 0.000) 1.163 5.433 ( 0.000 -4.911 0.000) 4.911 5.470 ( 0.000 -23.899 0.000) 23.899 5.647 ( 0.000 -3.619 0.000) 3.619 5.663 ( 0.000 -1.270 0.000) 1.270 5.760 ( 0.000 -1.657 0.000) 1.657 5.840 ( 0.000 0.469 0.000) 0.469 5.857 ( 0.000 -0.676 0.000) 0.676 5.870 ( 0.000 7.525 0.000) 7.525 5.933 ( 0.000 -0.281 0.000) 0.281 6.010 ( 0.000 -1.551 0.000) 1.551 6.119 ( 0.000 1.724 0.000) 1.724 6.157 ( 0.000 -0.351 0.000) 0.351 6.220 ( 0.000 11.182 0.000) 11.182 6.326 ( 0.000 -2.155 0.000) 2.155 6.725 ( 0.000 0.408 0.000) 0.408 6.870 ( 0.000 26.180 0.000) 26.180 6.885 ( 0.000 -8.428 0.000) 8.428 7.138 ( 0.000 -9.670 0.000) 9.670 8.322 ( 0.000 -6.273 0.000) 6.273 14.468 ( 0.000 1.491 0.000) 1.491 14.479 ( 0.000 -0.238 0.000) 0.238 14.491 ( 0.000 -0.457 0.000) 0.457 14.680 ( 0.000 -1.614 0.000) 1.614 14.729 ( 0.000 0.034 0.000) 0.034 14.734 ( 0.000 -0.022 0.000) 0.022 14.881 ( 0.000 1.256 0.000) 1.256 14.907 ( 0.000 1.058 0.000) 1.058 17.822 ( 0.000 1.409 0.000) 1.409 17.857 ( 0.000 0.411 0.000) 0.411 17.907 ( 0.000 -0.273 0.000) 0.273 18.016 ( 0.000 0.234 0.000) 0.234 18.139 ( 0.000 -0.962 0.000) 0.962 18.183 ( 0.000 -4.521 0.000) 4.521 18.238 ( 0.000 0.643 0.000) 0.643 18.366 ( 0.000 -1.279 0.000) 1.279 18.424 ( 0.000 3.782 0.000) 3.782 18.446 ( 0.000 1.005 0.000) 1.005 18.513 ( 0.000 0.089 0.000) 0.089 18.640 ( 0.000 -0.562 0.000) 0.562 24.801 ( 0.000 0.005 0.000) 0.005 24.801 ( 0.000 0.013 0.000) 0.013 24.819 ( 0.000 0.117 0.000) 0.117 24.835 ( 0.000 -0.058 0.000) 0.058 25.873 ( 0.000 0.060 0.000) 0.060 25.921 ( 0.000 -0.166 0.000) 0.166 26.137 ( 0.000 0.568 0.000) 0.568 26.162 ( 0.000 -7.663 0.000) 7.663 26.251 ( 0.000 -11.188 0.000) 11.188 26.269 ( 0.000 -1.101 0.000) 1.101 26.414 ( 0.000 -0.365 0.000) 0.365 26.449 ( 0.000 -4.415 0.000) 4.415 27.279 ( 0.000 7.319 0.000) 7.319 27.301 ( 0.000 12.671 0.000) 12.671 27.728 ( 0.000 1.587 0.000) 1.587 27.899 ( 0.000 -2.816 0.000) 2.816 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 13.920 18.727 0.000) 23.333 0.806 ( 19.011 19.845 0.000) 27.482 1.445 ( 35.118 31.435 0.000) 47.132 1.793 ( -1.473 1.881 0.000) 2.389 2.001 ( -10.130 -6.011 0.000) 11.779 2.065 ( -1.411 4.109 0.000) 4.344 2.153 ( -21.693 2.118 0.000) 21.796 2.426 ( 5.150 -0.336 0.000) 5.161 2.488 ( -0.656 -6.172 0.000) 6.207 2.575 ( -3.206 -5.257 0.000) 6.158 2.652 ( 5.163 -2.363 0.000) 5.678 2.879 ( -12.911 -9.205 0.000) 15.857 2.990 ( -0.427 1.585 0.000) 1.641 3.010 ( 1.288 -3.711 0.000) 3.928 3.081 ( -5.738 1.046 0.000) 5.833 3.087 ( -4.249 1.968 0.000) 4.683 3.173 ( -3.891 -0.973 0.000) 4.010 3.240 ( -1.859 2.924 0.000) 3.465 3.356 ( -1.059 3.526 0.000) 3.682 3.385 ( 4.971 3.031 0.000) 5.822 3.443 ( 2.182 -5.361 0.000) 5.788 3.480 ( 13.535 1.425 0.000) 13.610 3.595 ( 2.969 -5.050 0.000) 5.858 3.676 ( 0.664 1.174 0.000) 1.349 3.763 ( -1.465 -2.413 0.000) 2.823 3.778 ( 0.913 1.978 0.000) 2.179 3.862 ( 0.234 2.621 0.000) 2.632 4.059 ( -6.348 -4.365 0.000) 7.703 4.104 ( -7.564 8.874 0.000) 11.660 4.211 ( -5.450 -0.163 0.000) 5.453 4.339 ( 5.667 2.429 0.000) 6.166 4.441 ( -5.792 1.263 0.000) 5.928 4.504 ( 7.041 3.755 0.000) 7.980 4.551 ( -1.434 -2.150 0.000) 2.584 4.586 ( 1.959 0.531 0.000) 2.030 4.798 ( 3.291 -2.454 0.000) 4.105 4.816 ( 0.664 -3.982 0.000) 4.037 4.824 ( -1.360 4.128 0.000) 4.346 5.095 ( 4.849 6.083 0.000) 7.779 5.224 ( -5.508 -4.366 0.000) 7.028 5.351 ( -0.439 4.311 0.000) 4.334 5.409 ( -3.424 -3.599 0.000) 4.967 5.512 ( 4.200 -19.731 0.000) 20.173 5.634 ( -1.896 -0.649 0.000) 2.004 5.687 ( 2.682 -4.734 0.000) 5.441 5.709 ( -4.344 -0.440 0.000) 4.366 5.819 ( 0.311 3.049 0.000) 3.064 5.837 ( -0.684 -1.406 0.000) 1.563 5.850 ( -0.642 -1.163 0.000) 1.328 5.876 ( 0.467 6.723 0.000) 6.739 6.008 ( -0.302 -0.437 0.000) 0.531 6.104 ( -1.991 1.830 0.000) 2.704 6.245 ( 2.254 10.097 0.000) 10.345 6.254 ( -0.568 -4.530 0.000) 4.565 6.528 ( 13.687 -7.961 0.000) 15.834 6.676 ( -11.473 -3.672 0.000) 12.046 6.724 ( -0.148 0.463 0.000) 0.486 6.838 ( -3.588 25.413 0.000) 25.665 7.397 ( 18.154 -9.653 0.000) 20.561 8.189 ( -10.819 -3.759 0.000) 11.453 14.461 ( -0.744 0.163 0.000) 0.762 14.464 ( -0.313 1.346 0.000) 1.382 14.525 ( 2.509 -0.861 0.000) 2.652 14.665 ( -1.576 -1.785 0.000) 2.381 14.746 ( 1.907 0.376 0.000) 1.944 14.763 ( 2.200 0.445 0.000) 2.245 14.867 ( -1.411 1.326 0.000) 1.936 14.894 ( -1.417 1.042 0.000) 1.759 17.822 ( 0.021 1.259 0.000) 1.260 17.849 ( -0.659 0.365 0.000) 0.753 17.958 ( 3.516 -4.504 0.000) 5.714 18.022 ( 0.563 -0.414 0.000) 0.699 18.132 ( -0.413 -1.436 0.000) 1.494 18.195 ( 1.104 -3.354 0.000) 3.531 18.220 ( -2.018 0.630 0.000) 2.114 18.303 ( -4.318 1.241 0.000) 4.493 18.413 ( -0.319 2.923 0.000) 2.940 18.423 ( -0.132 3.677 0.000) 3.679 18.587 ( 3.211 -3.036 0.000) 4.419 18.639 ( -0.082 -0.730 0.000) 0.734 24.799 ( 0.036 0.043 0.000) 0.056 24.807 ( 0.441 -0.034 0.000) 0.443 24.816 ( -0.333 0.125 0.000) 0.356 24.833 ( -0.242 -0.065 0.000) 0.251 25.880 ( 1.090 -1.602 0.000) 1.938 25.989 ( 6.785 -0.990 0.000) 6.857 26.061 ( -5.564 -6.323 0.000) 8.423 26.155 ( -0.023 0.117 0.000) 0.119 26.210 ( -3.393 -0.327 0.000) 3.409 26.313 ( 1.798 -8.767 0.000) 8.950 26.436 ( 3.323 -3.964 0.000) 5.172 26.457 ( 1.118 0.531 0.000) 1.238 27.209 ( -7.968 14.464 0.000) 16.513 27.229 ( -4.892 8.243 0.000) 9.585 27.786 ( 4.904 0.662 0.000) 4.949 27.923 ( 1.043 -4.597 0.000) 4.714 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 26.418 0.797 0.000) 26.430 1.219 ( 24.702 10.111 0.000) 26.691 1.546 ( -23.216 -3.239 0.000) 23.441 1.682 ( -24.699 4.683 0.000) 25.139 1.947 ( 2.764 -2.043 0.000) 3.437 1.975 ( 4.884 4.361 0.000) 6.548 2.159 ( 21.698 11.981 0.000) 24.786 2.472 ( -9.037 -0.008 0.000) 9.037 2.513 ( 3.534 -6.403 0.000) 7.313 2.571 ( 7.189 1.044 0.000) 7.264 2.677 ( -4.462 -3.030 0.000) 5.394 2.775 ( 7.873 -2.430 0.000) 8.240 2.894 ( -12.830 5.236 0.000) 13.857 2.930 ( -8.582 -1.970 0.000) 8.806 3.020 ( -0.362 -0.001 0.000) 0.362 3.029 ( -1.360 2.610 0.000) 2.943 3.125 ( -0.851 4.777 0.000) 4.852 3.167 ( -4.548 5.635 0.000) 7.241 3.365 ( 2.815 -1.554 0.000) 3.216 3.432 ( -3.182 -3.744 0.000) 4.914 3.474 ( 4.512 2.551 0.000) 5.183 3.583 ( -8.473 -0.734 0.000) 8.505 3.647 ( 0.160 3.492 0.000) 3.495 3.678 ( -2.175 -0.227 0.000) 2.187 3.779 ( 4.877 1.247 0.000) 5.034 3.791 ( 12.928 -1.495 0.000) 13.014 3.930 ( -4.260 -1.345 0.000) 4.467 3.978 ( 5.906 -2.121 0.000) 6.276 3.991 ( -1.955 -2.440 0.000) 3.127 4.128 ( -9.912 -0.568 0.000) 9.929 4.399 ( 1.820 5.109 0.000) 5.423 4.410 ( 1.568 3.329 0.000) 3.680 4.526 ( -0.864 -0.587 0.000) 1.045 4.535 ( -1.457 -0.033 0.000) 1.458 4.737 ( 10.698 2.954 0.000) 11.098 4.813 ( 0.107 -1.100 0.000) 1.106 4.832 ( 1.189 -1.658 0.000) 2.041 4.862 ( 1.058 -0.226 0.000) 1.082 5.124 ( -1.069 -0.638 0.000) 1.245 5.133 ( -3.516 -4.785 0.000) 5.938 5.317 ( -2.305 1.228 0.000) 2.612 5.320 ( -3.930 -1.182 0.000) 4.104 5.583 ( 2.469 -9.538 0.000) 9.852 5.607 ( -0.996 -3.494 0.000) 3.633 5.683 ( 1.283 -4.899 0.000) 5.065 5.712 ( -0.496 -5.772 0.000) 5.794 5.832 ( 0.147 -5.798 0.000) 5.800 5.839 ( -0.533 -4.845 0.000) 4.874 5.848 ( 1.914 1.907 0.000) 2.702 5.875 ( -0.807 3.526 0.000) 3.617 6.001 ( 0.187 2.938 0.000) 2.944 6.042 ( -4.009 3.151 0.000) 5.099 6.245 ( 0.211 -2.779 0.000) 2.787 6.261 ( -0.912 0.822 0.000) 1.228 6.613 ( 4.393 13.812 0.000) 14.494 6.676 ( 3.968 -2.865 0.000) 4.894 6.716 ( -0.944 -0.072 0.000) 0.947 6.738 ( -7.059 22.667 0.000) 23.741 7.713 ( 15.922 -8.742 0.000) 18.164 7.975 ( -12.748 -6.548 0.000) 14.331 14.455 ( -0.030 0.623 0.000) 0.624 14.458 ( -0.326 1.027 0.000) 1.078 14.575 ( 2.887 -1.324 0.000) 3.176 14.626 ( -2.555 -1.683 0.000) 3.059 14.789 ( 2.496 1.012 0.000) 2.693 14.808 ( 2.691 1.038 0.000) 2.885 14.833 ( -2.242 1.373 0.000) 2.629 14.857 ( -2.529 1.030 0.000) 2.731 17.825 ( 0.354 0.909 0.000) 0.976 17.835 ( -0.704 0.548 0.000) 0.892 18.007 ( 1.862 -5.118 0.000) 5.446 18.027 ( -0.293 -2.856 0.000) 2.871 18.136 ( 1.102 -0.364 0.000) 1.160 18.173 ( -2.669 0.829 0.000) 2.794 18.219 ( 1.428 -1.784 0.000) 2.285 18.249 ( -1.986 -0.042 0.000) 1.986 18.414 ( 0.253 3.023 0.000) 3.033 18.419 ( -0.242 3.392 0.000) 3.400 18.623 ( 1.094 -2.075 0.000) 2.346 18.636 ( -0.368 -1.227 0.000) 1.281 24.802 ( 0.271 0.098 0.000) 0.288 24.809 ( -0.422 0.129 0.000) 0.441 24.816 ( 0.577 -0.057 0.000) 0.580 24.826 ( -0.486 -0.070 0.000) 0.491 25.913 ( 2.451 -3.729 0.000) 4.462 25.972 ( -4.071 -5.320 0.000) 6.698 26.132 ( 6.131 -3.696 0.000) 7.159 26.156 ( 0.057 -0.360 0.000) 0.365 26.184 ( 1.702 0.931 0.000) 1.940 26.280 ( -4.609 -3.424 0.000) 5.742 26.489 ( 2.079 -1.938 0.000) 2.842 26.502 ( 1.810 -8.081 0.000) 8.281 27.092 ( -2.779 16.239 0.000) 16.475 27.126 ( -5.256 11.623 0.000) 12.756 27.870 ( 3.783 -1.295 0.000) 3.998 27.919 ( -1.511 -3.317 0.000) 3.645 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.000 26.758 0.000) 26.758 1.256 ( 0.000 27.712 0.000) 27.712 1.822 ( 0.000 30.400 0.000) 30.400 1.854 ( 0.000 3.474 0.000) 3.474 2.000 ( 0.000 -5.906 0.000) 5.906 2.190 ( 0.000 -6.964 0.000) 6.964 2.204 ( 0.000 -19.200 0.000) 19.200 2.239 ( 0.000 9.015 0.000) 9.015 2.520 ( 0.000 1.560 0.000) 1.560 2.526 ( 0.000 -2.593 0.000) 2.593 2.536 ( 0.000 -2.663 0.000) 2.663 2.781 ( 0.000 -15.087 0.000) 15.087 2.900 ( 0.000 -2.308 0.000) 2.308 2.990 ( 0.000 0.662 0.000) 0.662 3.001 ( 0.000 -5.658 0.000) 5.658 3.130 ( 0.000 -0.548 0.000) 0.548 3.254 ( 0.000 -3.778 0.000) 3.778 3.302 ( 0.000 2.380 0.000) 2.380 3.359 ( 0.000 3.383 0.000) 3.383 3.374 ( 0.000 4.991 0.000) 4.991 3.394 ( 0.000 5.137 0.000) 5.137 3.467 ( 0.000 -1.023 0.000) 1.023 3.563 ( 0.000 7.004 0.000) 7.004 3.671 ( 0.000 -3.847 0.000) 3.847 3.685 ( 0.000 -0.990 0.000) 0.990 3.816 ( 0.000 4.686 0.000) 4.686 3.907 ( 0.000 -6.223 0.000) 6.223 3.991 ( 0.000 -2.428 0.000) 2.428 4.063 ( 0.000 -4.706 0.000) 4.706 4.350 ( 0.000 4.219 0.000) 4.219 4.418 ( 0.000 0.645 0.000) 0.645 4.419 ( 0.000 -1.099 0.000) 1.099 4.464 ( 0.000 -6.510 0.000) 6.510 4.560 ( 0.000 5.374 0.000) 5.374 4.568 ( 0.000 1.630 0.000) 1.630 4.703 ( 0.000 -8.562 0.000) 8.562 4.715 ( 0.000 -3.074 0.000) 3.074 4.813 ( 0.000 -24.391 0.000) 24.391 5.137 ( 0.000 8.207 0.000) 8.207 5.205 ( 0.000 6.118 0.000) 6.118 5.366 ( 0.000 4.097 0.000) 4.097 5.442 ( 0.000 7.806 0.000) 7.806 5.464 ( 0.000 2.404 0.000) 2.404 5.598 ( 0.000 -0.667 0.000) 0.667 5.648 ( 0.000 0.668 0.000) 0.668 5.768 ( 0.000 2.517 0.000) 2.517 5.851 ( 0.000 -0.708 0.000) 0.708 5.866 ( 0.000 1.595 0.000) 1.595 5.921 ( 0.000 -0.951 0.000) 0.951 5.957 ( 0.000 -3.511 0.000) 3.511 6.040 ( 0.000 8.474 0.000) 8.474 6.156 ( 0.000 2.829 0.000) 2.829 6.170 ( 0.000 1.307 0.000) 1.307 6.269 ( 0.000 -3.066 0.000) 3.066 6.439 ( 0.000 7.731 0.000) 7.731 6.612 ( 0.000 -12.326 0.000) 12.326 6.761 ( 0.000 -1.324 0.000) 1.324 6.877 ( 0.000 -13.500 0.000) 13.500 7.385 ( 0.000 22.738 0.000) 22.738 8.127 ( 0.000 -12.304 0.000) 12.304 14.474 ( 0.000 -0.177 0.000) 0.177 14.480 ( 0.000 -0.483 0.000) 0.483 14.511 ( 0.000 2.607 0.000) 2.607 14.634 ( 0.000 -2.716 0.000) 2.716 14.730 ( 0.000 0.060 0.000) 0.060 14.733 ( 0.000 -0.061 0.000) 0.061 14.911 ( 0.000 1.455 0.000) 1.455 14.929 ( 0.000 0.782 0.000) 0.782 17.866 ( 0.000 2.783 0.000) 2.783 17.869 ( 0.000 0.706 0.000) 0.706 17.898 ( 0.000 -0.551 0.000) 0.551 18.005 ( 0.000 -2.003 0.000) 2.003 18.104 ( 0.000 -2.139 0.000) 2.139 18.115 ( 0.000 -1.130 0.000) 1.130 18.259 ( 0.000 1.308 0.000) 1.308 18.332 ( 0.000 -1.880 0.000) 1.880 18.472 ( 0.000 1.351 0.000) 1.351 18.502 ( 0.000 3.582 0.000) 3.582 18.511 ( 0.000 -0.337 0.000) 0.337 18.617 ( 0.000 -1.662 0.000) 1.662 24.801 ( 0.000 0.016 0.000) 0.016 24.801 ( 0.000 0.009 0.000) 0.009 24.823 ( 0.000 0.232 0.000) 0.232 24.833 ( 0.000 -0.164 0.000) 0.164 25.878 ( 0.000 0.480 0.000) 0.480 25.912 ( 0.000 -0.708 0.000) 0.708 26.018 ( 0.000 -5.316 0.000) 5.316 26.042 ( 0.000 -7.212 0.000) 7.212 26.172 ( 0.000 2.494 0.000) 2.494 26.252 ( 0.000 -0.117 0.000) 0.117 26.350 ( 0.000 -4.513 0.000) 4.513 26.356 ( 0.000 -4.641 0.000) 4.641 27.463 ( 0.000 9.580 0.000) 9.580 27.552 ( 0.000 10.231 0.000) 10.231 27.752 ( 0.000 0.057 0.000) 0.057 27.808 ( 0.000 -5.852 0.000) 5.852 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -2.105 27.448 0.000) 27.529 1.273 ( 9.120 23.349 0.000) 25.067 1.835 ( -6.945 1.674 0.000) 7.144 1.885 ( -6.155 -4.182 0.000) 7.441 2.009 ( 10.838 11.842 0.000) 16.053 2.084 ( -5.579 0.438 0.000) 5.596 2.222 ( 2.203 -17.174 0.000) 17.314 2.257 ( -8.405 10.158 0.000) 13.185 2.488 ( 8.407 5.602 0.000) 10.103 2.510 ( -0.596 -1.251 0.000) 1.386 2.591 ( 4.336 -3.485 0.000) 5.563 2.625 ( -10.898 -13.312 0.000) 17.204 2.920 ( 0.485 -3.366 0.000) 3.401 3.038 ( 2.518 2.528 0.000) 3.568 3.071 ( -0.062 -2.663 0.000) 2.664 3.113 ( 0.394 -0.393 0.000) 0.556 3.182 ( -5.328 1.549 0.000) 5.548 3.326 ( -1.777 5.143 0.000) 5.441 3.338 ( 2.205 -4.742 0.000) 5.230 3.426 ( 7.398 0.877 0.000) 7.450 3.442 ( 1.937 5.252 0.000) 5.598 3.479 ( 1.450 -1.169 0.000) 1.862 3.587 ( 2.971 7.960 0.000) 8.497 3.674 ( 0.305 -3.151 0.000) 3.165 3.680 ( -1.723 -4.882 0.000) 5.177 3.853 ( 3.172 4.322 0.000) 5.361 3.867 ( 0.307 -1.900 0.000) 1.925 3.968 ( -2.613 -1.932 0.000) 3.250 4.103 ( 1.571 -6.170 0.000) 6.367 4.304 ( -8.002 6.735 0.000) 10.459 4.396 ( 4.184 2.010 0.000) 4.642 4.474 ( 1.776 -1.696 0.000) 2.456 4.497 ( 1.760 -4.767 0.000) 5.082 4.552 ( -2.025 4.684 0.000) 5.103 4.635 ( 7.887 3.623 0.000) 8.679 4.729 ( 2.793 -6.763 0.000) 7.317 4.738 ( 2.241 -3.268 0.000) 3.962 4.836 ( 2.446 -21.092 0.000) 21.233 4.983 ( -10.986 10.453 0.000) 15.165 5.185 ( -3.219 1.704 0.000) 3.642 5.371 ( -4.648 0.424 0.000) 4.668 5.374 ( 0.566 2.080 0.000) 2.156 5.437 ( -3.391 2.366 0.000) 4.135 5.570 ( -4.616 -4.007 0.000) 6.112 5.685 ( 0.988 1.813 0.000) 2.065 5.709 ( -4.946 0.808 0.000) 5.011 5.801 ( -4.470 -3.362 0.000) 5.593 5.804 ( -4.555 -2.057 0.000) 4.998 5.906 ( 0.859 3.831 0.000) 3.926 6.008 ( 3.875 -0.455 0.000) 3.901 6.018 ( -2.215 5.676 0.000) 6.093 6.161 ( -0.631 3.256 0.000) 3.317 6.201 ( 0.842 0.252 0.000) 0.879 6.361 ( -5.936 1.691 0.000) 6.172 6.388 ( 10.817 -6.217 0.000) 12.476 6.661 ( 6.227 -0.046 0.000) 6.227 6.726 ( 1.861 2.513 0.000) 3.127 7.140 ( 19.056 -13.540 0.000) 23.377 7.332 ( -5.782 21.658 0.000) 22.417 8.029 ( -9.928 -11.113 0.000) 14.902 14.468 ( -0.020 0.467 0.000) 0.467 14.503 ( 1.795 -1.118 0.000) 2.114 14.504 ( -0.714 2.378 0.000) 2.483 14.618 ( -1.548 -2.621 0.000) 3.044 14.754 ( 2.449 0.345 0.000) 2.473 14.765 ( 2.909 -0.125 0.000) 2.911 14.898 ( -1.390 1.438 0.000) 2.000 14.916 ( -1.448 0.767 0.000) 1.639 17.862 ( -0.452 2.483 0.000) 2.524 17.862 ( -0.557 0.870 0.000) 1.033 17.906 ( 0.788 -1.409 0.000) 1.615 17.992 ( -1.367 -2.704 0.000) 3.030 18.105 ( 0.865 -0.511 0.000) 1.005 18.141 ( 2.015 -1.841 0.000) 2.729 18.237 ( -2.217 1.069 0.000) 2.461 18.295 ( -3.273 -1.264 0.000) 3.509 18.469 ( 0.233 2.311 0.000) 2.323 18.499 ( -0.325 3.503 0.000) 3.518 18.543 ( 2.297 -1.582 0.000) 2.789 18.614 ( -0.413 -1.761 0.000) 1.809 24.801 ( 0.128 0.113 0.000) 0.171 24.806 ( 0.379 -0.071 0.000) 0.386 24.820 ( -0.312 0.250 0.000) 0.399 24.831 ( -0.258 -0.176 0.000) 0.312 25.877 ( 0.066 0.844 0.000) 0.847 25.955 ( 4.008 -2.188 0.000) 4.567 25.955 ( -3.413 -2.800 0.000) 4.414 26.090 ( 1.327 -8.158 0.000) 8.265 26.194 ( 2.449 1.542 0.000) 2.894 26.221 ( -1.448 1.784 0.000) 2.298 26.359 ( 0.492 -4.472 0.000) 4.499 26.390 ( 2.435 -5.073 0.000) 5.627 27.434 ( -2.755 10.436 0.000) 10.794 27.493 ( -5.103 11.910 0.000) 12.957 27.780 ( 2.075 -1.870 0.000) 2.793 27.809 ( 0.091 -6.640 0.000) 6.641 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 10.905 16.853 0.000) 20.074 1.489 ( 6.721 12.113 0.000) 13.853 1.576 ( -7.901 9.363 0.000) 12.251 1.847 ( -18.620 8.891 0.000) 20.633 1.894 ( 2.874 -4.094 0.000) 5.003 1.973 ( -5.624 -4.732 0.000) 7.350 2.290 ( 5.329 -14.131 0.000) 15.103 2.345 ( 9.966 7.256 0.000) 12.328 2.423 ( -9.161 -11.890 0.000) 15.010 2.475 ( -4.088 1.256 0.000) 4.276 2.686 ( 5.622 -5.957 0.000) 8.191 2.721 ( 7.436 -3.166 0.000) 8.082 2.907 ( 1.599 5.224 0.000) 5.463 3.004 ( -4.391 4.860 0.000) 6.550 3.046 ( -0.088 1.072 0.000) 1.075 3.088 ( -4.404 2.098 0.000) 4.878 3.208 ( 7.442 2.872 0.000) 7.977 3.322 ( -0.740 7.541 0.000) 7.577 3.365 ( 0.332 -3.281 0.000) 3.298 3.377 ( -5.264 3.044 0.000) 6.080 3.521 ( 2.732 -1.470 0.000) 3.102 3.537 ( 2.385 2.216 0.000) 3.256 3.661 ( 1.813 -0.523 0.000) 1.887 3.677 ( -0.162 -2.286 0.000) 2.292 3.721 ( 8.859 -2.830 0.000) 9.300 3.894 ( 0.011 4.491 0.000) 4.491 3.908 ( -0.203 -2.642 0.000) 2.650 3.971 ( -14.263 0.742 0.000) 14.282 3.986 ( 8.695 5.420 0.000) 10.246 4.161 ( -8.259 7.024 0.000) 10.842 4.466 ( 2.628 -1.277 0.000) 2.922 4.485 ( -0.297 -3.184 0.000) 3.198 4.508 ( 0.111 -0.279 0.000) 0.300 4.517 ( -0.765 6.124 0.000) 6.172 4.775 ( 2.611 -2.084 0.000) 3.341 4.779 ( 1.559 -2.622 0.000) 3.051 4.815 ( 7.761 0.529 0.000) 7.779 4.881 ( -1.196 2.259 0.000) 2.556 4.911 ( 6.909 -13.496 0.000) 15.162 5.080 ( -8.517 -4.094 0.000) 9.450 5.298 ( -1.978 -0.570 0.000) 2.059 5.343 ( -5.729 0.926 0.000) 5.803 5.384 ( 1.189 -4.370 0.000) 4.529 5.453 ( -6.533 -9.283 0.000) 11.352 5.642 ( -1.771 0.202 0.000) 1.783 5.648 ( -2.403 0.277 0.000) 2.419 5.752 ( -0.986 -3.711 0.000) 3.840 5.754 ( -0.923 -3.752 0.000) 3.863 5.940 ( 2.175 4.958 0.000) 5.414 5.978 ( -2.028 5.060 0.000) 5.452 6.076 ( 3.436 1.482 0.000) 3.742 6.131 ( -2.387 1.574 0.000) 2.859 6.222 ( 1.957 3.080 0.000) 3.649 6.275 ( -3.732 5.150 0.000) 6.360 6.564 ( 7.517 -7.657 0.000) 10.730 6.660 ( -3.183 -5.871 0.000) 6.678 6.930 ( 14.529 15.005 0.000) 20.887 7.174 ( -11.328 18.964 0.000) 22.090 7.486 ( 18.158 -12.120 0.000) 21.832 7.794 ( -15.180 -10.691 0.000) 18.567 14.474 ( 0.642 1.201 0.000) 1.362 14.489 ( -0.897 1.856 0.000) 2.061 14.541 ( 2.273 -1.809 0.000) 2.905 14.583 ( -2.185 -2.337 0.000) 3.199 14.808 ( 3.180 0.825 0.000) 3.285 14.824 ( 3.211 0.325 0.000) 3.227 14.862 ( -2.547 1.253 0.000) 2.839 14.878 ( -2.617 0.685 0.000) 2.705 17.854 ( -0.258 1.198 0.000) 1.226 17.854 ( -0.272 1.817 0.000) 1.838 17.927 ( 1.524 -2.688 0.000) 3.090 17.960 ( -1.925 -3.195 0.000) 3.730 18.136 ( 2.388 0.431 0.000) 2.427 18.183 ( 2.527 -1.614 0.000) 2.999 18.187 ( -2.951 0.770 0.000) 3.050 18.234 ( -3.100 -1.158 0.000) 3.309 18.479 ( 0.669 2.915 0.000) 2.991 18.491 ( -0.582 3.279 0.000) 3.330 18.579 ( 1.591 -2.087 0.000) 2.624 18.602 ( -0.916 -1.980 0.000) 2.182 24.805 ( 0.344 0.214 0.000) 0.405 24.813 ( -0.434 0.261 0.000) 0.506 24.814 ( 0.533 -0.143 0.000) 0.552 24.824 ( -0.476 -0.180 0.000) 0.509 25.883 ( 0.723 0.832 0.000) 1.103 25.907 ( -1.915 -0.400 0.000) 1.956 26.033 ( 3.797 -5.175 0.000) 6.418 26.083 ( -1.696 -6.601 0.000) 6.815 26.220 ( 1.004 2.704 0.000) 2.884 26.231 ( 0.625 0.774 0.000) 0.995 26.381 ( 1.848 -4.892 0.000) 5.229 26.408 ( -0.540 -5.166 0.000) 5.194 27.389 ( -1.274 12.551 0.000) 12.615 27.408 ( -3.342 13.645 0.000) 14.048 27.807 ( 0.811 -5.036 0.000) 5.101 27.812 ( 0.139 -6.930 0.000) 6.932 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 0.000 -23.329 0.000) 23.329 1.716 ( 0.000 23.329 0.000) 23.329 1.775 ( 0.000 -20.732 0.000) 20.732 1.775 ( 0.000 20.732 0.000) 20.732 1.930 ( 0.000 -4.430 0.000) 4.430 1.930 ( 0.000 4.430 0.000) 4.430 2.372 ( 0.000 -5.100 0.000) 5.100 2.372 ( 0.000 5.100 0.000) 5.100 2.501 ( 0.000 -0.455 0.000) 0.455 2.501 ( 0.000 0.455 0.000) 0.455 2.531 ( 0.000 -5.001 0.000) 5.001 2.531 ( 0.000 5.001 0.000) 5.001 2.891 ( 0.000 -2.871 0.000) 2.871 2.891 ( 0.000 2.871 0.000) 2.871 3.047 ( 0.000 -4.670 0.000) 4.670 3.047 ( 0.000 4.670 0.000) 4.670 3.276 ( 0.000 -3.190 0.000) 3.190 3.276 ( 0.000 3.190 0.000) 3.190 3.403 ( 0.000 -0.524 0.000) 0.524 3.403 ( 0.000 0.524 0.000) 0.524 3.551 ( 0.000 -6.581 0.000) 6.581 3.551 ( 0.000 6.581 0.000) 6.581 3.551 ( 0.000 -6.762 0.000) 6.762 3.551 ( 0.000 6.762 0.000) 6.762 3.771 ( 0.000 -6.544 0.000) 6.544 3.771 ( 0.000 6.544 0.000) 6.544 3.935 ( 0.000 -6.521 0.000) 6.521 3.935 ( 0.000 6.521 0.000) 6.521 4.145 ( 0.000 -18.280 0.000) 18.280 4.145 ( 0.000 18.280 0.000) 18.280 4.418 ( 0.000 -0.413 0.000) 0.413 4.418 ( 0.000 0.413 0.000) 0.413 4.448 ( 0.000 -5.752 0.000) 5.752 4.448 ( 0.000 5.752 0.000) 5.752 4.635 ( 0.000 -4.169 0.000) 4.169 4.635 ( 0.000 4.169 0.000) 4.169 4.654 ( 0.000 -3.956 0.000) 3.956 4.654 ( 0.000 3.956 0.000) 3.956 5.230 ( 0.000 -1.582 0.000) 1.582 5.230 ( 0.000 1.582 0.000) 1.582 5.448 ( 0.000 -3.187 0.000) 3.187 5.448 ( 0.000 3.187 0.000) 3.187 5.585 ( 0.000 -1.964 0.000) 1.964 5.585 ( 0.000 1.964 0.000) 1.964 5.756 ( 0.000 -8.512 0.000) 8.512 5.756 ( 0.000 8.512 0.000) 8.512 5.858 ( 0.000 -5.081 0.000) 5.081 5.858 ( 0.000 5.081 0.000) 5.081 5.900 ( 0.000 -1.573 0.000) 1.573 5.900 ( 0.000 1.573 0.000) 1.573 6.205 ( 0.000 -4.388 0.000) 4.388 6.205 ( 0.000 4.388 0.000) 4.388 6.209 ( 0.000 -2.458 0.000) 2.458 6.209 ( 0.000 2.458 0.000) 2.458 6.451 ( 0.000 -2.657 0.000) 2.657 6.451 ( 0.000 2.657 0.000) 2.657 6.731 ( 0.000 -0.676 0.000) 0.676 6.731 ( 0.000 0.676 0.000) 0.676 7.811 ( 0.000 -17.870 0.000) 17.870 7.811 ( 0.000 17.870 0.000) 17.870 14.473 ( 0.000 -0.159 0.000) 0.159 14.473 ( 0.000 0.159 0.000) 0.159 14.572 ( 0.000 -3.063 0.000) 3.063 14.572 ( 0.000 3.063 0.000) 3.063 14.732 ( 0.000 -0.072 0.000) 0.072 14.732 ( 0.000 0.072 0.000) 0.072 14.933 ( 0.000 -0.479 0.000) 0.479 14.933 ( 0.000 0.479 0.000) 0.479 17.885 ( 0.000 -0.745 0.000) 0.745 17.885 ( 0.000 0.745 0.000) 0.745 17.936 ( 0.000 -3.745 0.000) 3.745 17.936 ( 0.000 3.745 0.000) 3.745 18.096 ( 0.000 -0.633 0.000) 0.633 18.096 ( 0.000 0.633 0.000) 0.633 18.292 ( 0.000 -1.815 0.000) 1.815 18.292 ( 0.000 1.815 0.000) 1.815 18.497 ( 0.000 -0.990 0.000) 0.990 18.497 ( 0.000 0.990 0.000) 0.990 18.570 ( 0.000 -2.830 0.000) 2.830 18.570 ( 0.000 2.830 0.000) 2.830 24.801 ( 0.000 -0.011 0.000) 0.011 24.801 ( 0.000 0.011 0.000) 0.011 24.828 ( 0.000 -0.257 0.000) 0.257 24.828 ( 0.000 0.257 0.000) 0.257 25.894 ( 0.000 -0.958 0.000) 0.958 25.894 ( 0.000 0.958 0.000) 0.958 25.962 ( 0.000 -0.347 0.000) 0.347 25.962 ( 0.000 0.347 0.000) 0.347 26.250 ( 0.000 -4.817 0.000) 4.817 26.250 ( 0.000 4.817 0.000) 4.817 26.275 ( 0.000 -2.420 0.000) 2.420 26.275 ( 0.000 2.420 0.000) 2.420 27.657 ( 0.000 -8.526 0.000) 8.526 27.657 ( 0.000 8.526 0.000) 8.526 27.708 ( 0.000 -4.626 0.000) 4.626 27.708 ( 0.000 4.626 0.000) 4.626 ======================= Grid point 17 (11/60) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -4.304 -22.101 0.000) 22.516 1.723 ( -4.304 22.101 0.000) 22.516 1.724 ( 0.061 -16.611 0.000) 16.611 1.724 ( 0.061 16.611 0.000) 16.611 1.904 ( -1.184 -7.075 0.000) 7.174 1.904 ( -1.184 7.075 0.000) 7.174 2.336 ( -7.943 -10.997 0.000) 13.565 2.336 ( -7.943 10.997 0.000) 13.565 2.498 ( 1.517 -6.750 0.000) 6.919 2.498 ( 1.517 6.750 0.000) 6.919 2.522 ( 1.883 -2.423 0.000) 3.068 2.522 ( 1.883 2.423 0.000) 3.068 2.966 ( 4.811 -6.504 0.000) 8.090 2.966 ( 4.811 6.504 0.000) 8.090 3.085 ( 3.271 -2.113 0.000) 3.895 3.085 ( 3.271 2.113 0.000) 3.895 3.236 ( -2.723 -4.305 0.000) 5.094 3.236 ( -2.723 4.305 0.000) 5.094 3.417 ( 3.382 -2.515 0.000) 4.215 3.417 ( 3.382 2.515 0.000) 4.215 3.561 ( 1.004 -6.433 0.000) 6.511 3.561 ( 1.004 6.433 0.000) 6.511 3.561 ( -0.318 -5.944 0.000) 5.952 3.561 ( -0.318 5.944 0.000) 5.952 3.756 ( -0.765 -7.319 0.000) 7.359 3.756 ( -0.765 7.319 0.000) 7.359 3.966 ( 1.879 -6.361 0.000) 6.632 3.966 ( 1.879 6.361 0.000) 6.632 4.150 ( 1.901 -18.464 0.000) 18.562 4.150 ( 1.901 18.464 0.000) 18.562 4.413 ( -0.722 -3.873 0.000) 3.939 4.413 ( -0.722 3.873 0.000) 3.939 4.510 ( 5.026 -5.345 0.000) 7.337 4.510 ( 5.026 5.345 0.000) 7.337 4.657 ( 2.090 -4.527 0.000) 4.986 4.657 ( 2.090 4.527 0.000) 4.986 4.704 ( 5.358 -2.739 0.000) 6.017 4.704 ( 5.358 2.739 0.000) 6.017 5.161 ( -8.202 -4.500 0.000) 9.355 5.161 ( -8.202 4.500 0.000) 9.355 5.432 ( -2.388 -2.378 0.000) 3.370 5.432 ( -2.388 2.378 0.000) 3.370 5.455 ( -11.026 -6.927 0.000) 13.021 5.455 ( -11.026 6.927 0.000) 13.021 5.724 ( -2.487 -2.738 0.000) 3.699 5.724 ( -2.487 2.738 0.000) 3.699 5.750 ( -6.338 -2.759 0.000) 6.912 5.750 ( -6.338 2.759 0.000) 6.912 5.974 ( 3.846 -2.616 0.000) 4.651 5.974 ( 3.846 2.616 0.000) 4.651 6.129 ( -3.872 -5.003 0.000) 6.326 6.129 ( -3.872 5.003 0.000) 6.326 6.265 ( 5.409 -5.164 0.000) 7.478 6.265 ( 5.409 5.164 0.000) 7.478 6.513 ( 0.879 -10.942 0.000) 10.977 6.513 ( 0.879 10.942 0.000) 10.977 6.888 ( 16.289 -10.072 0.000) 19.152 6.888 ( 16.289 10.072 0.000) 19.152 7.736 ( -8.012 -16.832 0.000) 18.642 7.736 ( -8.012 16.832 0.000) 18.642 14.482 ( 0.895 -0.869 0.000) 1.248 14.482 ( 0.895 0.869 0.000) 1.248 14.560 ( -1.202 -2.833 0.000) 3.077 14.560 ( -1.202 2.833 0.000) 3.077 14.760 ( 2.841 -0.290 0.000) 2.856 14.760 ( 2.841 0.290 0.000) 2.856 14.920 ( -1.461 -0.465 0.000) 1.533 14.920 ( -1.461 0.465 0.000) 1.533 17.882 ( -0.157 -1.033 0.000) 1.044 17.882 ( -0.157 1.033 0.000) 1.044 17.924 ( -1.194 -3.365 0.000) 3.570 17.924 ( -1.194 3.365 0.000) 3.570 18.112 ( 1.696 -0.945 0.000) 1.942 18.112 ( 1.696 0.945 0.000) 1.942 18.264 ( -2.678 -1.497 0.000) 3.068 18.264 ( -2.678 1.497 0.000) 3.068 18.510 ( 1.198 -1.680 0.000) 2.063 18.510 ( 1.198 1.680 0.000) 2.063 18.566 ( -0.468 -2.799 0.000) 2.838 18.566 ( -0.468 2.799 0.000) 2.838 24.804 ( 0.264 -0.115 0.000) 0.288 24.804 ( 0.264 0.115 0.000) 0.288 24.826 ( -0.281 -0.274 0.000) 0.393 24.826 ( -0.281 0.274 0.000) 0.393 25.908 ( 1.372 -2.039 0.000) 2.458 25.908 ( 1.372 2.039 0.000) 2.458 25.962 ( -0.126 -3.439 0.000) 3.442 25.962 ( -0.126 3.439 0.000) 3.442 26.261 ( 1.107 -4.389 0.000) 4.526 26.261 ( 1.107 4.389 0.000) 4.526 26.287 ( 1.034 -4.346 0.000) 4.467 26.287 ( 1.034 4.346 0.000) 4.467 27.643 ( -1.176 -9.178 0.000) 9.253 27.643 ( -1.176 9.178 0.000) 9.253 27.691 ( -1.750 -6.828 0.000) 7.049 27.691 ( -1.750 6.828 0.000) 7.049 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -1.003 -18.217 0.000) 18.244 1.667 ( -1.003 18.217 0.000) 18.244 1.690 ( -2.874 -8.045 0.000) 8.543 1.690 ( -2.874 8.045 0.000) 8.543 1.956 ( 7.092 -16.020 0.000) 17.519 1.956 ( 7.092 16.020 0.000) 17.519 2.135 ( -11.588 -13.426 0.000) 17.735 2.135 ( -11.588 13.426 0.000) 17.735 2.547 ( 1.869 -10.174 0.000) 10.344 2.547 ( 1.869 10.174 0.000) 10.344 2.552 ( 1.030 -5.854 0.000) 5.944 2.552 ( 1.030 5.854 0.000) 5.944 3.026 ( 2.748 -3.510 0.000) 4.458 3.026 ( 2.748 3.510 0.000) 4.458 3.086 ( -3.261 -2.485 0.000) 4.100 3.086 ( -3.261 2.485 0.000) 4.100 3.276 ( 7.112 -4.251 0.000) 8.286 3.276 ( 7.112 4.252 0.000) 8.286 3.417 ( -6.318 -2.033 0.000) 6.637 3.417 ( -6.318 2.033 0.000) 6.637 3.580 ( 2.096 -4.353 0.000) 4.831 3.580 ( 2.096 4.353 0.000) 4.831 3.582 ( 1.055 -5.477 0.000) 5.578 3.582 ( 1.055 5.477 0.000) 5.578 3.809 ( 7.719 -6.369 0.000) 10.007 3.809 ( 7.719 6.369 0.000) 10.007 3.947 ( -4.772 -2.476 0.000) 5.376 3.947 ( -4.772 2.476 0.000) 5.376 4.240 ( 7.531 -16.467 0.000) 18.107 4.240 ( 7.531 16.467 0.000) 18.107 4.371 ( -4.849 -8.467 0.000) 9.757 4.371 ( -4.849 8.467 0.000) 9.757 4.594 ( 4.404 -7.017 0.000) 8.284 4.594 ( 4.404 7.017 0.000) 8.284 4.672 ( -2.298 -7.697 0.000) 8.033 4.672 ( -2.298 7.697 0.000) 8.033 4.828 ( 7.118 -0.410 0.000) 7.129 4.828 ( 7.118 0.410 0.000) 7.129 4.963 ( -9.645 -5.609 0.000) 11.157 4.963 ( -9.645 5.609 0.000) 11.157 5.317 ( -2.749 -3.163 0.000) 4.190 5.317 ( -2.749 3.163 0.000) 4.190 5.352 ( -5.168 -0.301 0.000) 5.177 5.352 ( -5.168 0.301 0.000) 5.177 5.678 ( -1.385 -2.994 0.000) 3.299 5.678 ( -1.385 2.994 0.000) 3.299 5.684 ( -1.609 -2.787 0.000) 3.218 5.684 ( -1.609 2.787 0.000) 3.218 6.034 ( 2.789 -3.887 0.000) 4.784 6.034 ( 2.789 3.887 0.000) 4.784 6.079 ( -2.251 -4.392 0.000) 4.935 6.079 ( -2.251 4.392 0.000) 4.935 6.378 ( 6.236 -9.460 0.000) 11.330 6.378 ( 6.236 9.460 0.000) 11.330 6.476 ( -4.127 -10.887 0.000) 11.643 6.476 ( -4.127 10.887 0.000) 11.643 7.223 ( 18.360 -13.115 0.000) 22.563 7.223 ( 18.360 13.115 0.000) 22.563 7.527 ( -14.370 -14.825 0.000) 20.646 7.527 ( -14.370 14.825 0.000) 20.646 14.504 ( 1.484 -1.656 0.000) 2.224 14.504 ( 1.484 1.656 0.000) 2.224 14.533 ( -1.602 -2.328 0.000) 2.826 14.533 ( -1.602 2.328 0.000) 2.826 14.822 ( 3.510 -0.438 0.000) 3.538 14.822 ( 3.510 0.438 0.000) 3.538 14.880 ( -2.760 -0.440 0.000) 2.795 14.880 ( -2.760 0.440 0.000) 2.795 17.884 ( 0.454 -1.676 0.000) 1.736 17.884 ( 0.454 1.676 0.000) 1.736 17.900 ( -1.225 -2.550 0.000) 2.829 17.900 ( -1.225 2.550 0.000) 2.829 18.153 ( 2.687 -1.151 0.000) 2.923 18.153 ( 2.687 1.151 0.000) 2.923 18.208 ( -3.182 -1.209 0.000) 3.404 18.208 ( -3.182 1.209 0.000) 3.404 18.534 ( 1.220 -2.346 0.000) 2.645 18.534 ( 1.220 2.346 0.000) 2.645 18.553 ( -0.889 -2.670 0.000) 2.814 18.553 ( -0.889 2.670 0.000) 2.814 24.810 ( 0.446 -0.224 0.000) 0.499 24.810 ( 0.446 0.224 0.000) 0.499 24.819 ( -0.454 -0.281 0.000) 0.534 24.819 ( -0.454 0.281 0.000) 0.534 25.935 ( 1.390 -3.840 0.000) 4.084 25.935 ( 1.390 3.840 0.000) 4.084 25.955 ( -0.719 -4.716 0.000) 4.770 25.955 ( -0.719 4.716 0.000) 4.770 26.286 ( 1.322 -3.945 0.000) 4.161 26.286 ( 1.322 3.945 0.000) 4.161 26.299 ( 0.018 -4.794 0.000) 4.794 26.299 ( 0.018 4.794 0.000) 4.794 27.631 ( 0.241 -10.288 0.000) 10.291 27.631 ( 0.241 10.288 0.000) 10.291 27.653 ( -1.988 -9.673 0.000) 9.875 27.653 ( -1.988 9.673 0.000) 9.875 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 0.000 0.000 28.640) 28.640 0.559 ( 0.000 0.000 28.079) 28.079 0.826 ( 0.000 0.000 42.131) 42.131 1.776 ( 0.000 0.000 1.599) 1.599 1.869 ( 0.000 0.000 -8.381) 8.381 2.311 ( 0.000 0.000 -14.136) 14.136 2.311 ( 0.000 0.000 5.682) 5.682 2.412 ( 0.000 0.000 3.933) 3.933 2.479 ( 0.000 0.000 -5.077) 5.077 2.601 ( 0.000 0.000 -1.436) 1.436 2.644 ( 0.000 0.000 -2.113) 2.113 2.816 ( 0.000 0.000 -11.056) 11.056 3.035 ( 0.000 0.000 4.611) 4.611 3.044 ( 0.000 0.000 -6.801) 6.801 3.055 ( 0.000 0.000 -6.185) 6.185 3.156 ( 0.000 0.000 -0.500) 0.500 3.157 ( 0.000 0.000 1.372) 1.372 3.226 ( 0.000 0.000 3.092) 3.092 3.407 ( 0.000 0.000 4.037) 4.037 3.422 ( 0.000 0.000 7.892) 7.892 3.511 ( 0.000 0.000 3.607) 3.607 3.533 ( 0.000 0.000 14.328) 14.328 3.622 ( 0.000 0.000 -4.077) 4.077 3.648 ( 0.000 0.000 4.855) 4.855 3.769 ( 0.000 0.000 1.624) 1.624 3.780 ( 0.000 0.000 4.121) 4.121 3.899 ( 0.000 0.000 -6.780) 6.780 4.088 ( 0.000 0.000 -9.267) 9.267 4.201 ( 0.000 0.000 -1.945) 1.945 4.226 ( 0.000 0.000 6.329) 6.329 4.385 ( 0.000 0.000 1.809) 1.809 4.479 ( 0.000 0.000 -7.585) 7.585 4.501 ( 0.000 0.000 10.052) 10.052 4.550 ( 0.000 0.000 0.533) 0.533 4.621 ( 0.000 0.000 -1.316) 1.316 4.766 ( 0.000 0.000 -1.002) 1.002 4.840 ( 0.000 0.000 3.728) 3.728 4.881 ( 0.000 0.000 0.244) 0.244 4.884 ( 0.000 0.000 6.805) 6.805 5.184 ( 0.000 0.000 -7.068) 7.068 5.285 ( 0.000 0.000 1.614) 1.614 5.520 ( 0.000 0.000 -2.490) 2.490 5.648 ( 0.000 0.000 -0.882) 0.882 5.657 ( 0.000 0.000 0.233) 0.233 5.674 ( 0.000 0.000 -5.240) 5.240 5.758 ( 0.000 0.000 3.748) 3.748 5.791 ( 0.000 0.000 0.794) 0.794 5.803 ( 0.000 0.000 -0.355) 0.355 5.866 ( 0.000 0.000 -0.509) 0.509 6.001 ( 0.000 0.000 3.180) 3.180 6.036 ( 0.000 0.000 1.077) 1.077 6.085 ( 0.000 0.000 0.981) 0.981 6.259 ( 0.000 0.000 2.591) 2.591 6.316 ( 0.000 0.000 -3.215) 3.215 6.389 ( 0.000 0.000 -1.332) 1.332 6.663 ( 0.000 0.000 -2.368) 2.368 6.706 ( 0.000 0.000 -0.914) 0.914 6.950 ( 0.000 0.000 -2.753) 2.753 7.170 ( 0.000 0.000 -7.218) 7.218 7.935 ( 0.000 0.000 -6.266) 6.266 14.448 ( 0.000 0.000 -0.436) 0.436 14.466 ( 0.000 0.000 -1.459) 1.459 14.502 ( 0.000 0.000 -0.849) 0.849 14.677 ( 0.000 0.000 -2.062) 2.062 14.726 ( 0.000 0.000 -0.038) 0.038 14.733 ( 0.000 0.000 -0.110) 0.110 14.867 ( 0.000 0.000 0.044) 0.044 14.893 ( 0.000 0.000 -0.134) 0.134 17.812 ( 0.000 0.000 0.452) 0.452 17.856 ( 0.000 0.000 0.374) 0.374 17.920 ( 0.000 0.000 0.971) 0.971 18.139 ( 0.000 0.000 0.530) 0.530 18.159 ( 0.000 0.000 0.854) 0.854 18.186 ( 0.000 0.000 -1.951) 1.951 18.257 ( 0.000 0.000 1.677) 1.677 18.375 ( 0.000 0.000 0.656) 0.656 18.386 ( 0.000 0.000 0.626) 0.626 18.413 ( 0.000 0.000 0.624) 0.624 18.492 ( 0.000 0.000 -1.717) 1.717 18.640 ( 0.000 0.000 -0.660) 0.660 24.801 ( 0.000 0.000 0.100) 0.100 24.802 ( 0.000 0.000 0.104) 0.104 24.825 ( 0.000 0.000 0.654) 0.654 24.852 ( 0.000 0.000 0.236) 0.236 25.883 ( 0.000 0.000 1.120) 1.120 25.932 ( 0.000 0.000 0.035) 0.035 25.935 ( 0.000 0.000 1.262) 1.262 26.247 ( 0.000 0.000 -2.882) 2.882 26.290 ( 0.000 0.000 0.567) 0.567 26.393 ( 0.000 0.000 -1.514) 1.514 26.439 ( 0.000 0.000 4.260) 4.260 26.523 ( 0.000 0.000 2.343) 2.343 27.101 ( 0.000 0.000 -2.575) 2.575 27.132 ( 0.000 0.000 -6.265) 6.265 27.681 ( 0.000 0.000 -2.412) 2.412 27.944 ( 0.000 0.000 -0.947) 0.947 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 17.460 0.000 12.084) 21.234 0.795 ( 21.568 0.000 18.926) 28.695 1.374 ( 39.709 0.000 30.342) 49.974 1.780 ( -1.658 0.000 0.241) 1.675 1.856 ( 0.077 0.000 -7.219) 7.220 2.040 ( -23.053 0.000 -9.558) 24.956 2.269 ( -7.315 0.000 11.203) 13.380 2.438 ( -0.462 0.000 -10.225) 10.235 2.498 ( 5.874 0.000 4.291) 7.274 2.629 ( -2.345 0.000 -2.569) 3.478 2.636 ( 2.404 0.000 -2.979) 3.828 2.866 ( 5.243 0.000 -8.160) 9.699 2.897 ( -8.543 0.000 -6.043) 10.464 3.039 ( -3.781 0.000 -0.677) 3.841 3.139 ( -4.466 0.000 4.509) 6.346 3.149 ( -1.001 0.000 3.654) 3.788 3.191 ( 6.161 0.000 7.374) 9.609 3.253 ( 6.209 0.000 -3.327) 7.044 3.342 ( -8.717 0.000 11.602) 14.512 3.423 ( 4.283 0.000 -0.033) 4.284 3.456 ( -4.587 0.000 6.797) 8.200 3.546 ( 0.377 0.000 1.788) 1.828 3.574 ( -1.626 0.000 -0.708) 1.774 3.665 ( 2.241 0.000 -4.510) 5.037 3.768 ( -6.014 0.000 -1.311) 6.155 3.814 ( 7.059 0.000 0.605) 7.085 3.956 ( 10.717 0.000 5.146) 11.888 4.001 ( -23.202 0.000 7.396) 24.352 4.134 ( -0.378 0.000 -3.776) 3.795 4.199 ( -10.874 0.000 4.993) 11.965 4.297 ( 4.527 0.000 -1.073) 4.653 4.405 ( 6.927 0.000 0.264) 6.932 4.474 ( -0.104 0.000 -5.944) 5.945 4.502 ( -5.266 0.000 4.484) 6.917 4.612 ( -1.205 0.000 -0.194) 1.221 4.770 ( 0.603 0.000 -1.922) 2.014 4.862 ( 2.981 0.000 2.456) 3.862 4.872 ( -1.082 0.000 -0.314) 1.127 5.053 ( 7.575 0.000 2.300) 7.917 5.250 ( -1.651 0.000 -0.168) 1.660 5.265 ( 4.191 0.000 -1.680) 4.516 5.465 ( -5.362 0.000 -0.609) 5.397 5.645 ( -0.101 0.000 -0.710) 0.717 5.659 ( -0.027 0.000 -0.476) 0.476 5.704 ( 1.893 0.000 -1.475) 2.400 5.745 ( -3.104 0.000 -0.607) 3.163 5.821 ( 1.640 0.000 0.183) 1.650 5.828 ( 5.244 0.000 2.727) 5.911 5.867 ( 0.078 0.000 -0.486) 0.492 5.935 ( -1.769 0.000 -0.254) 1.787 6.034 ( -2.048 0.000 0.140) 2.053 6.095 ( 1.310 0.000 0.722) 1.496 6.264 ( 5.693 0.000 4.324) 7.149 6.343 ( -4.638 0.000 -1.207) 4.793 6.387 ( -2.456 0.000 3.980) 4.676 6.670 ( 0.632 0.000 -2.137) 2.229 6.702 ( -0.347 0.000 -1.014) 1.071 6.733 ( -12.948 0.000 -0.184) 12.950 7.410 ( 16.176 0.000 -9.144) 18.582 7.960 ( -0.794 0.000 -15.490) 15.511 14.440 ( -0.446 0.000 -0.847) 0.958 14.453 ( -1.169 0.000 -0.662) 1.343 14.522 ( 2.313 0.000 -1.287) 2.647 14.664 ( -1.454 0.000 -2.120) 2.571 14.739 ( 1.358 0.000 -0.053) 1.359 14.749 ( 1.751 0.000 -0.129) 1.756 14.852 ( -1.495 0.000 0.063) 1.497 14.881 ( -1.404 0.000 -0.144) 1.411 17.814 ( 0.171 0.000 0.486) 0.515 17.847 ( -0.750 0.000 0.217) 0.780 17.975 ( 3.947 0.000 -1.222) 4.132 18.141 ( 0.184 0.000 0.554) 0.584 18.157 ( -0.216 0.000 0.817) 0.845 18.178 ( -2.387 0.000 -1.683) 2.921 18.230 ( -0.644 0.000 2.397) 2.482 18.325 ( -3.247 0.000 3.855) 5.040 18.376 ( 0.135 0.000 0.659) 0.673 18.385 ( -0.100 0.000 0.635) 0.643 18.577 ( 3.310 0.000 -4.152) 5.310 18.646 ( 0.197 0.000 -0.981) 1.000 24.801 ( 0.058 0.000 0.184) 0.193 24.806 ( 0.402 0.000 0.033) 0.403 24.821 ( -0.375 0.000 0.594) 0.702 24.842 ( -0.702 0.000 0.484) 0.853 25.944 ( 1.332 0.000 -0.065) 1.334 25.948 ( 6.604 0.000 -2.203) 6.962 26.060 ( 8.795 0.000 -0.596) 8.815 26.153 ( -6.408 0.000 -1.693) 6.628 26.266 ( -2.638 0.000 1.031) 2.833 26.413 ( -2.912 0.000 3.632) 4.655 26.491 ( -0.244 0.000 7.373) 7.377 26.526 ( 10.540 0.000 -2.861) 10.922 26.986 ( -11.148 0.000 -1.011) 11.194 27.078 ( -5.737 0.000 -5.974) 8.283 27.739 ( 5.292 0.000 -3.197) 6.183 27.942 ( -0.803 0.000 -2.922) 3.031 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 29.141 0.000 -3.813) 29.390 1.233 ( 24.341 0.000 9.855) 26.261 1.555 ( -28.227 0.000 -7.037) 29.091 1.621 ( -15.985 0.000 1.793) 16.085 1.919 ( 5.936 0.000 -3.154) 6.722 2.070 ( -10.834 0.000 3.029) 11.249 2.096 ( 35.277 0.000 18.902) 40.022 2.505 ( 6.314 0.000 -6.620) 9.148 2.519 ( -11.113 0.000 3.215) 11.568 2.624 ( -4.959 0.000 -7.192) 8.736 2.641 ( 11.363 0.000 7.124) 13.412 2.830 ( 2.196 0.000 1.172) 2.489 2.926 ( -6.964 0.000 2.696) 7.468 2.975 ( -6.777 0.000 3.273) 7.526 2.993 ( -7.725 0.000 10.414) 12.966 3.109 ( -6.525 0.000 5.510) 8.541 3.120 ( 1.785 0.000 5.167) 5.466 3.191 ( -5.928 0.000 7.073) 9.229 3.375 ( 6.135 0.000 -2.121) 6.492 3.443 ( 2.876 0.000 1.047) 3.061 3.481 ( -5.153 0.000 -0.941) 5.238 3.529 ( -3.599 0.000 -4.740) 5.952 3.605 ( 2.647 0.000 -0.771) 2.757 3.653 ( -2.295 0.000 -1.372) 2.674 3.707 ( 3.907 0.000 -5.762) 6.962 3.791 ( -0.267 0.000 -3.478) 3.488 3.983 ( 8.527 0.000 -1.452) 8.650 4.000 ( -2.538 0.000 5.422) 5.987 4.068 ( 0.421 0.000 0.817) 0.919 4.118 ( -7.543 0.000 0.316) 7.550 4.319 ( 1.522 0.000 -0.800) 1.720 4.379 ( -3.913 0.000 1.700) 4.266 4.499 ( 3.137 0.000 -0.903) 3.265 4.568 ( -3.557 0.000 1.403) 3.823 4.681 ( 15.259 0.000 -0.982) 15.290 4.796 ( 2.213 0.000 -2.904) 3.651 4.840 ( -2.289 0.000 -1.819) 2.923 4.881 ( -4.013 0.000 0.525) 4.047 5.114 ( 1.742 0.000 -1.412) 2.242 5.180 ( -4.524 0.000 0.702) 4.578 5.339 ( 2.129 0.000 3.048) 3.718 5.373 ( -3.118 0.000 2.851) 4.225 5.647 ( 0.325 0.000 -0.906) 0.963 5.655 ( -0.388 0.000 -0.935) 1.013 5.687 ( -0.935 0.000 -0.665) 1.148 5.704 ( -2.002 0.000 -1.198) 2.333 5.851 ( 1.370 0.000 0.535) 1.471 5.866 ( -0.306 0.000 -0.085) 0.318 5.917 ( 3.733 0.000 -1.235) 3.932 5.986 ( -3.373 0.000 -0.761) 3.458 6.026 ( 10.502 0.000 1.329) 10.586 6.142 ( 4.027 0.000 0.031) 4.028 6.231 ( -10.950 0.000 1.638) 11.072 6.239 ( -6.064 0.000 -0.716) 6.106 6.403 ( 7.666 0.000 8.343) 11.330 6.549 ( -8.219 0.000 6.592) 10.536 6.682 ( 0.661 0.000 -1.700) 1.824 6.694 ( -0.558 0.000 -1.294) 1.409 7.682 ( 13.036 0.000 -12.585) 18.119 7.877 ( -7.924 0.000 -15.639) 17.532 14.435 ( -0.099 0.000 -1.055) 1.060 14.438 ( -0.437 0.000 -0.859) 0.964 14.573 ( 2.989 0.000 -1.704) 3.441 14.626 ( -2.625 0.000 -1.956) 3.274 14.773 ( 2.153 0.000 -0.067) 2.154 14.791 ( 2.398 0.000 -0.300) 2.417 14.818 ( -1.935 0.000 0.182) 1.943 14.844 ( -2.486 0.000 -0.115) 2.489 17.820 ( 0.470 0.000 0.398) 0.616 17.832 ( -0.797 0.000 0.228) 0.829 18.042 ( 3.576 0.000 -0.827) 3.670 18.110 ( -3.906 0.000 -0.249) 3.914 18.145 ( 0.312 0.000 0.624) 0.698 18.151 ( -0.332 0.000 0.724) 0.797 18.249 ( 1.731 0.000 1.424) 2.241 18.283 ( -1.945 0.000 2.440) 3.121 18.379 ( 0.199 0.000 0.662) 0.691 18.383 ( -0.178 0.000 0.653) 0.676 18.617 ( 1.588 0.000 -2.511) 2.971 18.640 ( -0.826 0.000 -1.458) 1.676 24.804 ( 0.278 0.000 0.278) 0.394 24.810 ( -0.286 0.000 0.251) 0.381 24.819 ( 0.460 0.000 0.253) 0.525 24.830 ( -0.644 0.000 0.255) 0.693 25.982 ( 2.862 0.000 -0.366) 2.885 26.050 ( -4.677 0.000 -0.884) 4.760 26.085 ( 7.005 0.000 -2.381) 7.398 26.173 ( -0.460 0.000 -0.114) 0.473 26.231 ( 3.291 0.000 2.424) 4.087 26.336 ( -5.443 0.000 2.716) 6.083 26.558 ( 7.507 0.000 5.661) 9.402 26.732 ( 11.495 0.000 -4.102) 12.205 26.753 ( -12.908 0.000 2.081) 13.075 26.932 ( -9.848 0.000 -5.188) 11.130 27.837 ( 4.844 0.000 -3.843) 6.184 27.908 ( -2.843 0.000 -3.767) 4.719 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 0.000 18.658 12.545) 22.484 0.838 ( 0.000 22.030 17.519) 28.146 1.351 ( 0.000 33.237 27.450) 43.106 1.814 ( 0.000 2.290 1.732) 2.871 1.894 ( 0.000 1.978 -8.499) 8.726 2.300 ( 0.000 1.110 3.287) 3.469 2.362 ( 0.000 1.411 -8.878) 8.990 2.379 ( 0.000 -3.305 4.716) 5.759 2.424 ( 0.000 -4.149 -4.224) 5.921 2.565 ( 0.000 -2.671 -2.393) 3.586 2.594 ( 0.000 -5.544 -1.572) 5.763 2.841 ( 0.000 0.214 -9.866) 9.868 2.921 ( 0.000 -4.888 -2.665) 5.567 3.031 ( 0.000 -2.503 -4.955) 5.551 3.084 ( 0.000 -3.192 -0.804) 3.291 3.137 ( 0.000 2.112 4.481) 4.953 3.161 ( 0.000 -0.180 -4.076) 4.080 3.245 ( 0.000 1.436 0.789) 1.639 3.362 ( 0.000 -1.641 5.336) 5.582 3.432 ( 0.000 1.303 0.972) 1.625 3.469 ( 0.000 -3.995 6.430) 7.570 3.503 ( 0.000 -0.417 11.296) 11.303 3.588 ( 0.000 -8.307 1.280) 8.405 3.660 ( 0.000 2.729 -4.674) 5.412 3.733 ( 0.000 3.442 5.350) 6.362 3.758 ( 0.000 -1.601 3.625) 3.963 3.885 ( 0.000 -1.282 -6.392) 6.519 4.215 ( 0.000 -1.356 4.585) 4.781 4.240 ( 0.000 3.591 -2.445) 4.344 4.257 ( 0.000 -7.725 6.675) 10.210 4.296 ( 0.000 10.578 -6.873) 12.615 4.445 ( 0.000 -2.358 -3.975) 4.622 4.507 ( 0.000 0.765 8.598) 8.632 4.535 ( 0.000 -1.711 0.645) 1.828 4.587 ( 0.000 -2.422 -1.051) 2.640 4.802 ( 0.000 -0.400 2.357) 2.391 4.829 ( 0.000 -3.676 1.471) 3.959 4.936 ( 0.000 10.530 2.250) 10.768 4.999 ( 0.000 8.531 3.438) 9.197 5.272 ( 0.000 7.165 -5.629) 9.112 5.313 ( 0.000 2.624 1.872) 3.223 5.401 ( 0.000 -11.882 -1.738) 12.009 5.524 ( 0.000 -17.078 3.951) 17.529 5.599 ( 0.000 -4.139 -4.746) 6.297 5.639 ( 0.000 -0.858 -0.095) 0.863 5.724 ( 0.000 4.386 -4.215) 6.083 5.787 ( 0.000 -1.047 0.099) 1.052 5.851 ( 0.000 -1.383 1.814) 2.281 5.910 ( 0.000 5.746 3.563) 6.761 5.930 ( 0.000 2.112 -2.241) 3.079 6.028 ( 0.000 -0.644 1.536) 1.666 6.150 ( 0.000 0.339 0.159) 0.375 6.252 ( 0.000 9.625 2.467) 9.936 6.291 ( 0.000 -2.439 -2.439) 3.449 6.372 ( 0.000 -13.305 11.601) 17.652 6.705 ( 0.000 1.077 -2.273) 2.516 6.806 ( 0.000 21.374 -6.306) 22.285 6.867 ( 0.000 -8.644 -1.579) 8.787 7.087 ( 0.000 -6.071 -4.980) 7.852 8.076 ( 0.000 1.950 -17.517) 17.625 14.455 ( 0.000 1.060 -0.726) 1.284 14.464 ( 0.000 -0.168 -1.387) 1.397 14.485 ( 0.000 -0.857 -0.799) 1.172 14.660 ( 0.000 -1.542 -1.970) 2.501 14.728 ( 0.000 0.080 -0.090) 0.120 14.733 ( 0.000 -0.016 -0.105) 0.106 14.879 ( 0.000 1.098 -0.128) 1.105 14.904 ( 0.000 0.907 -0.301) 0.956 17.827 ( 0.000 1.393 0.440) 1.461 17.862 ( 0.000 0.473 0.439) 0.645 17.917 ( 0.000 -0.261 0.984) 1.018 18.050 ( 0.000 -2.943 2.081) 3.604 18.144 ( 0.000 -1.245 0.520) 1.349 18.160 ( 0.000 -2.675 -1.630) 3.132 18.261 ( 0.000 -0.748 1.632) 1.796 18.369 ( 0.000 -1.489 0.268) 1.513 18.403 ( 0.000 3.579 -0.170) 3.583 18.484 ( 0.000 2.831 1.553) 3.229 18.503 ( 0.000 0.847 -0.815) 1.176 18.636 ( 0.000 -0.497 -0.527) 0.724 24.801 ( 0.000 0.018 0.132) 0.133 24.802 ( 0.000 0.033 0.112) 0.116 24.826 ( 0.000 0.076 0.611) 0.616 24.846 ( 0.000 -0.343 0.657) 0.741 25.879 ( 0.000 -0.414 0.596) 0.726 25.896 ( 0.000 -1.003 -1.553) 1.849 26.030 ( 0.000 3.315 -4.532) 5.615 26.164 ( 0.000 -6.086 -0.032) 6.086 26.196 ( 0.000 -7.180 -3.151) 7.841 26.394 ( 0.000 -0.595 7.235) 7.260 26.424 ( 0.000 -2.731 0.791) 2.843 26.486 ( 0.000 -2.967 3.719) 4.758 27.215 ( 0.000 7.172 -6.332) 9.567 27.235 ( 0.000 10.248 -6.140) 11.946 27.696 ( 0.000 1.215 -2.943) 3.184 27.912 ( 0.000 -2.860 0.193) 2.867 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.20 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 13.304 21.173 7.512) 26.110 0.865 ( 13.708 11.648 17.220) 24.902 1.679 ( 24.992 20.891 18.440) 37.431 1.804 ( -3.060 2.278 0.155) 3.818 1.870 ( 1.027 2.058 -3.991) 4.606 2.078 ( -18.062 4.322 -6.236) 19.591 2.255 ( -10.991 -1.515 10.788) 15.475 2.402 ( 1.800 -3.777 -7.425) 8.523 2.483 ( 6.247 -1.316 2.191) 6.750 2.557 ( -1.474 -5.336 -1.499) 5.735 2.622 ( 3.171 -2.094 -1.044) 3.941 2.829 ( -2.498 -4.532 -5.023) 7.212 2.939 ( -1.636 0.312 -3.975) 4.310 2.992 ( 0.003 -1.483 -5.268) 5.472 3.074 ( -1.551 -2.467 0.758) 3.011 3.126 ( -4.328 -2.659 2.277) 5.567 3.154 ( -1.599 0.446 6.655) 6.859 3.296 ( 8.760 2.749 -3.354) 9.775 3.367 ( -2.862 0.991 5.125) 5.953 3.445 ( 0.273 -0.178 3.411) 3.427 3.475 ( 0.625 -2.468 2.535) 3.592 3.482 ( 0.484 1.971 4.555) 4.987 3.593 ( 1.884 -6.795 -0.426) 7.064 3.674 ( 0.543 2.288 -3.320) 4.069 3.720 ( 0.607 3.262 1.205) 3.530 3.820 ( 5.078 -2.734 1.548) 5.971 3.915 ( 0.179 -1.274 1.621) 2.070 4.061 ( -13.499 0.013 3.587) 13.968 4.179 ( 0.031 2.082 -0.290) 2.103 4.209 ( -11.793 3.495 4.117) 12.970 4.365 ( 2.926 5.070 1.051) 5.948 4.431 ( 3.027 1.862 -1.972) 4.064 4.471 ( 0.305 -0.204 -3.026) 3.049 4.508 ( -0.556 1.296 2.055) 2.492 4.603 ( 0.369 -0.995 -0.135) 1.070 4.794 ( -2.416 1.720 -1.550) 3.347 4.824 ( 2.168 -0.789 1.076) 2.546 4.872 ( 0.264 -1.226 3.997) 4.189 5.096 ( 2.259 2.776 -1.142) 3.757 5.243 ( -5.036 -2.676 1.724) 5.958 5.332 ( 3.869 5.253 -1.362) 6.665 5.408 ( -2.517 -3.474 -0.086) 4.291 5.525 ( 2.126 -16.216 0.813) 16.375 5.615 ( -0.787 -3.923 -0.991) 4.122 5.658 ( 1.895 -0.119 0.246) 1.915 5.732 ( 1.978 1.043 -0.844) 2.391 5.793 ( 0.894 0.346 -0.851) 1.282 5.843 ( -0.790 -2.715 1.272) 3.100 5.885 ( -2.416 0.642 0.767) 2.615 5.896 ( -1.387 4.986 1.527) 5.396 6.027 ( -0.428 0.169 1.547) 1.614 6.112 ( -1.490 -1.178 1.574) 2.467 6.253 ( 1.620 8.615 0.925) 8.815 6.296 ( -3.350 -4.018 1.680) 5.495 6.534 ( 11.224 -8.296 0.631) 13.971 6.667 ( -6.196 -1.217 -2.187) 6.683 6.714 ( -3.425 -0.267 0.134) 3.438 6.812 ( -1.567 21.178 -2.641) 21.399 7.311 ( 16.033 -8.883 -8.412) 20.167 7.995 ( -7.749 -0.414 -16.041) 17.820 14.450 ( -0.578 0.559 -1.277) 1.509 14.452 ( -0.477 0.625 -0.657) 1.024 14.512 ( 2.275 -0.855 -1.290) 2.751 14.646 ( -1.502 -1.624 -1.889) 2.909 14.744 ( 1.777 0.322 -0.173) 1.814 14.757 ( 2.110 0.387 -0.452) 2.192 14.866 ( -1.426 1.145 -0.138) 1.834 14.891 ( -1.432 0.884 -0.317) 1.712 17.828 ( 0.052 1.262 0.504) 1.360 17.852 ( -0.746 0.537 0.384) 0.996 17.952 ( 2.919 -1.939 0.093) 3.505 18.050 ( -0.077 -3.262 1.722) 3.690 18.134 ( -0.450 -1.746 0.118) 1.807 18.176 ( 0.941 -1.146 -0.971) 1.773 18.244 ( -1.582 -0.907 1.575) 2.410 18.320 ( -3.620 -0.055 1.300) 3.846 18.411 ( 0.488 2.872 0.301) 2.928 18.443 ( -1.210 3.666 1.328) 4.082 18.567 ( 2.996 -0.652 -1.587) 3.453 18.637 ( -0.060 -0.755 -0.512) 0.914 24.801 ( 0.093 0.046 0.208) 0.232 24.806 ( 0.400 0.019 0.053) 0.404 24.822 ( -0.376 0.080 0.555) 0.675 24.840 ( -0.524 -0.169 0.486) 0.735 25.887 ( 1.002 -2.323 0.687) 2.621 25.948 ( 5.339 -1.028 -1.855) 5.744 26.061 ( -2.045 -2.920 -4.011) 5.366 26.111 ( 2.328 -0.088 1.820) 2.956 26.234 ( -0.392 -4.986 -1.896) 5.348 26.343 ( -2.467 -4.322 3.802) 6.263 26.450 ( 2.225 -2.832 2.220) 4.230 26.526 ( 3.067 -1.334 5.427) 6.375 27.144 ( -6.828 11.017 -6.321) 14.420 27.184 ( -4.766 9.649 -4.572) 11.693 27.742 ( 4.166 -0.002 -3.963) 5.750 27.903 ( -0.994 -3.402 -1.807) 3.978 ======================= Grid point 42 (18/60) ======================= q-point: ( 0.40 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 20.899 9.187 4.206) 23.214 1.270 ( 24.206 6.089 7.550) 26.077 1.533 ( -21.146 0.396 -0.665) 21.160 1.688 ( -19.633 4.890 0.638) 20.243 1.922 ( 3.823 1.468 -1.742) 4.451 2.041 ( -9.234 -1.565 3.421) 9.971 2.257 ( 23.682 9.462 10.292) 27.500 2.455 ( 1.659 -3.788 -2.437) 4.800 2.517 ( -1.130 -4.374 0.816) 4.590 2.597 ( -1.121 -1.700 -6.179) 6.506 2.665 ( 6.715 1.022 4.913) 8.383 2.812 ( 4.819 -1.713 2.969) 5.914 2.876 ( -10.206 -1.196 1.704) 10.416 2.952 ( -4.373 -0.494 0.637) 4.446 3.025 ( 0.799 2.629 3.471) 4.427 3.105 ( -3.408 0.691 4.705) 5.850 3.129 ( 3.499 1.329 2.937) 4.757 3.263 ( -7.860 3.613 5.895) 10.468 3.373 ( 2.404 0.390 1.239) 2.732 3.433 ( -2.859 -3.708 -0.458) 4.704 3.489 ( 2.335 2.922 2.642) 4.579 3.582 ( -2.204 1.468 -1.665) 3.128 3.605 ( 2.287 -1.806 -3.502) 4.556 3.672 ( -3.644 5.119 0.289) 6.291 3.703 ( 3.259 1.234 -5.087) 6.166 3.784 ( -4.418 -0.877 -3.565) 5.744 3.935 ( 5.897 -1.610 1.509) 6.296 3.982 ( -0.509 -2.614 2.633) 3.745 4.058 ( -0.837 0.650 3.991) 4.129 4.144 ( -6.710 1.028 1.864) 7.040 4.384 ( 0.261 4.499 -1.066) 4.631 4.401 ( -0.630 2.010 -0.701) 2.220 4.496 ( 2.815 -0.446 -1.213) 3.097 4.557 ( -2.640 -0.946 0.839) 2.927 4.713 ( 11.553 2.413 -1.717) 11.926 4.782 ( 0.658 -0.288 -2.877) 2.966 4.829 ( -0.616 -0.567 -1.422) 1.650 4.889 ( -1.814 -0.075 1.945) 2.660 5.101 ( 0.364 -1.827 -1.584) 2.446 5.157 ( -4.554 -2.810 2.074) 5.739 5.348 ( -1.118 -2.124 2.214) 3.266 5.360 ( -1.035 1.558 3.255) 3.754 5.562 ( 1.334 -7.623 -1.871) 7.961 5.591 ( -1.775 -5.100 -0.867) 5.469 5.695 ( 3.554 -2.642 1.785) 4.775 5.752 ( -1.451 -1.800 1.421) 2.714 5.818 ( 1.350 -3.464 -0.988) 3.846 5.835 ( -0.365 -6.709 0.631) 6.748 5.861 ( 0.142 1.295 0.832) 1.546 5.880 ( -0.758 2.163 0.995) 2.499 6.016 ( -0.041 2.588 1.298) 2.895 6.055 ( -4.036 1.038 1.407) 4.399 6.260 ( 1.035 -2.549 1.505) 3.136 6.284 ( -0.382 1.414 1.683) 2.231 6.602 ( 1.812 4.979 -0.520) 5.324 6.657 ( -1.603 5.440 -3.583) 6.709 6.699 ( 3.434 3.720 1.253) 5.216 6.767 ( -3.325 12.962 1.045) 13.423 7.592 ( 14.097 -8.043 -11.876) 20.111 7.821 ( -10.986 -5.052 -14.341) 18.758 14.443 ( -0.091 0.610 -1.075) 1.239 14.446 ( -0.293 0.957 -1.014) 1.424 14.559 ( 2.767 -1.207 -1.572) 3.403 14.608 ( -2.473 -1.521 -1.755) 3.393 14.785 ( 2.447 0.874 -0.329) 2.619 14.802 ( 2.566 0.827 -0.529) 2.748 14.831 ( -2.081 1.119 -0.120) 2.366 14.854 ( -2.516 0.835 -0.320) 2.670 17.830 ( 0.267 0.973 0.463) 1.110 17.839 ( -0.652 0.667 0.350) 0.996 18.004 ( 2.527 -3.421 0.023) 4.253 18.039 ( -1.288 -3.834 0.795) 4.122 18.139 ( 1.105 -0.526 0.320) 1.265 18.169 ( -1.766 0.726 -0.068) 1.910 18.234 ( 1.036 -1.792 1.250) 2.418 18.267 ( -2.290 -0.864 1.472) 2.856 18.419 ( 0.497 3.074 0.599) 3.171 18.429 ( -0.551 3.423 0.871) 3.575 18.607 ( 1.599 -0.891 -1.360) 2.281 18.629 ( -0.795 -0.917 -0.794) 1.450 24.805 ( 0.306 0.093 0.282) 0.427 24.812 ( -0.256 0.108 0.237) 0.365 24.818 ( 0.402 -0.038 0.259) 0.480 24.829 ( -0.620 -0.085 0.243) 0.671 25.918 ( 2.443 -3.825 0.624) 4.581 25.976 ( -3.600 -4.573 0.163) 5.822 26.081 ( 6.467 -1.063 -2.337) 6.958 26.181 ( -3.581 -0.410 -0.506) 3.640 26.204 ( 4.687 -2.228 1.538) 5.413 26.291 ( -3.916 -3.867 1.307) 5.657 26.513 ( 4.060 -4.158 3.012) 6.545 26.563 ( -0.197 -4.742 5.151) 7.004 27.042 ( -2.219 14.934 -4.978) 15.898 27.082 ( -5.345 11.990 -4.241) 13.795 27.819 ( 3.795 -1.980 -4.664) 6.331 27.874 ( -2.225 -3.285 -3.971) 5.613 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.000 26.170 -0.675) 26.178 1.335 ( 0.000 23.764 7.743) 24.994 1.845 ( 0.000 1.029 0.037) 1.030 1.932 ( 0.000 1.552 -5.024) 5.258 1.984 ( 0.000 20.892 13.148) 24.684 2.142 ( 0.000 -18.137 -3.397) 18.453 2.278 ( 0.000 -3.807 6.362) 7.414 2.367 ( 0.000 3.911 8.198) 9.083 2.465 ( 0.000 2.730 -5.957) 6.553 2.483 ( 0.000 -1.301 -3.984) 4.191 2.526 ( 0.000 -0.756 0.605) 0.968 2.681 ( 0.000 -11.707 -7.160) 13.723 2.880 ( 0.000 -1.780 -1.516) 2.338 2.947 ( 0.000 -5.281 -3.635) 6.411 3.091 ( 0.000 -1.431 7.528) 7.663 3.092 ( 0.000 2.488 -2.360) 3.429 3.242 ( 0.000 -2.839 -0.304) 2.855 3.256 ( 0.000 3.015 -6.516) 7.180 3.334 ( 0.000 -0.433 1.012) 1.101 3.407 ( 0.000 0.057 3.192) 3.192 3.425 ( 0.000 0.542 -3.000) 3.048 3.506 ( 0.000 -0.305 7.928) 7.934 3.601 ( 0.000 7.084 4.320) 8.298 3.708 ( 0.000 1.107 1.433) 1.811 3.709 ( 0.000 -4.590 1.239) 4.754 3.763 ( 0.000 4.512 -1.946) 4.914 3.866 ( 0.000 -0.899 1.130) 1.444 4.132 ( 0.000 -7.140 1.265) 7.251 4.139 ( 0.000 -2.411 9.489) 9.791 4.320 ( 0.000 3.668 -1.509) 3.967 4.403 ( 0.000 -1.434 -1.050) 1.778 4.469 ( 0.000 5.797 -3.626) 6.837 4.490 ( 0.000 -3.790 2.970) 4.815 4.529 ( 0.000 1.470 5.398) 5.595 4.557 ( 0.000 -0.011 -1.461) 1.461 4.711 ( 0.000 -8.542 2.194) 8.819 4.772 ( 0.000 -2.221 4.099) 4.662 4.909 ( 0.000 -19.976 8.087) 21.551 5.141 ( 0.000 6.753 0.048) 6.754 5.190 ( 0.000 3.870 -0.839) 3.960 5.380 ( 0.000 3.036 1.104) 3.231 5.400 ( 0.000 1.661 -2.923) 3.362 5.479 ( 0.000 9.213 0.587) 9.232 5.569 ( 0.000 1.499 -2.082) 2.565 5.651 ( 0.000 1.818 0.698) 1.948 5.771 ( 0.000 1.223 -0.019) 1.223 5.789 ( 0.000 1.257 -3.724) 3.930 5.873 ( 0.000 2.116 0.449) 2.163 5.917 ( 0.000 -2.074 -1.903) 2.815 5.998 ( 0.000 -2.586 2.806) 3.816 6.057 ( 0.000 7.487 1.458) 7.628 6.164 ( 0.000 1.507 -0.167) 1.516 6.194 ( 0.000 -3.240 2.760) 4.256 6.259 ( 0.000 -1.353 -0.505) 1.445 6.437 ( 0.000 5.555 -0.247) 5.560 6.617 ( 0.000 -13.670 0.034) 13.670 6.724 ( 0.000 -0.097 -3.075) 3.077 6.811 ( 0.000 -10.922 -6.445) 12.681 7.325 ( 0.000 20.402 -6.021) 21.272 7.983 ( 0.000 -9.487 -13.494) 16.495 14.461 ( 0.000 -0.098 -1.234) 1.238 14.470 ( 0.000 -0.513 -0.990) 1.115 14.495 ( 0.000 2.506 -1.406) 2.874 14.615 ( 0.000 -2.645 -1.781) 3.188 14.729 ( 0.000 0.071 -0.074) 0.103 14.732 ( 0.000 -0.052 -0.087) 0.101 14.906 ( 0.000 1.292 -0.474) 1.376 14.923 ( 0.000 0.662 -0.597) 0.891 17.869 ( 0.000 2.604 0.284) 2.619 17.875 ( 0.000 0.794 0.599) 0.995 17.909 ( 0.000 -0.492 1.021) 1.134 18.005 ( 0.000 -2.495 0.010) 2.495 18.102 ( 0.000 -1.818 -0.100) 1.820 18.115 ( 0.000 -1.340 0.005) 1.340 18.264 ( 0.000 0.876 0.480) 0.999 18.332 ( 0.000 -1.960 -0.050) 1.961 18.474 ( 0.000 2.880 0.562) 2.935 18.518 ( 0.000 0.390 0.653) 0.761 18.530 ( 0.000 1.987 2.069) 2.869 18.616 ( 0.000 -1.480 -0.185) 1.492 24.802 ( 0.000 0.052 0.166) 0.174 24.803 ( 0.000 0.036 0.157) 0.161 24.829 ( 0.000 0.190 0.521) 0.555 24.839 ( 0.000 -0.277 0.547) 0.613 25.863 ( 0.000 -1.122 -1.362) 1.765 25.867 ( 0.000 -1.659 -3.185) 3.591 26.057 ( 0.000 -3.331 3.702) 4.980 26.060 ( 0.000 -2.233 -2.013) 3.007 26.104 ( 0.000 1.798 -0.465) 1.858 26.321 ( 0.000 -6.330 -1.667) 6.546 26.368 ( 0.000 -1.241 8.176) 8.269 26.417 ( 0.000 -3.310 4.593) 5.661 27.389 ( 0.000 8.431 -7.367) 11.197 27.439 ( 0.000 7.894 -10.104) 12.822 27.720 ( 0.000 0.888 -2.889) 3.022 27.830 ( 0.000 -4.751 1.009) 4.857 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.20 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 6.915 21.245 3.321) 22.588 1.344 ( 3.647 24.222 7.513) 25.622 1.823 ( -7.053 1.508 -0.258) 7.217 1.851 ( -3.218 -0.037 -1.409) 3.513 2.068 ( 0.068 -4.764 0.839) 4.838 2.165 ( -1.047 -6.492 3.693) 7.542 2.217 ( 1.615 11.141 6.231) 12.866 2.308 ( -7.557 1.264 3.036) 8.241 2.435 ( 1.058 -1.385 -2.725) 3.234 2.485 ( 2.010 -3.312 -5.412) 6.656 2.604 ( 2.721 -0.910 2.065) 3.535 2.662 ( 3.124 -5.576 3.831) 7.451 2.877 ( -0.334 -3.591 -3.259) 4.861 2.997 ( 3.213 -1.190 -3.910) 5.199 3.072 ( -1.263 1.365 0.711) 1.991 3.117 ( 0.895 1.704 -0.564) 2.006 3.203 ( -2.100 2.390 2.286) 3.918 3.325 ( 4.325 0.074 -3.896) 5.822 3.341 ( 0.684 -5.021 2.454) 5.630 3.388 ( -0.089 1.980 -1.462) 2.463 3.431 ( 1.409 -4.937 -1.082) 5.247 3.522 ( 0.706 1.245 2.822) 3.164 3.618 ( -0.830 10.113 4.344) 11.038 3.676 ( -0.396 -1.909 0.879) 2.139 3.743 ( 1.903 -2.398 4.798) 5.691 3.810 ( 4.670 2.838 -0.893) 5.537 3.879 ( 2.431 -0.978 -0.869) 2.761 4.039 ( -7.676 0.411 7.268) 10.579 4.150 ( 0.434 -5.425 1.978) 5.790 4.307 ( -2.577 3.234 -1.282) 4.329 4.406 ( -0.010 0.419 -0.089) 0.428 4.477 ( -0.514 1.875 2.304) 3.015 4.497 ( -0.863 -1.146 0.961) 1.727 4.570 ( 1.620 3.611 -0.452) 3.983 4.589 ( 7.132 1.653 -1.685) 7.512 4.737 ( 2.327 -5.472 1.830) 6.222 4.805 ( 3.413 -2.905 4.854) 6.607 4.896 ( -2.267 -11.851 4.055) 12.729 4.998 ( -9.392 3.328 1.974) 10.158 5.162 ( -3.346 0.765 -1.148) 3.619 5.333 ( -4.134 -0.928 -3.015) 5.200 5.391 ( 0.736 0.842 1.444) 1.827 5.444 ( -2.044 2.415 -0.489) 3.202 5.563 ( -4.188 -1.095 0.738) 4.391 5.689 ( 1.621 2.225 0.797) 2.866 5.714 ( -3.151 -1.059 0.010) 3.324 5.794 ( -2.490 -1.464 -0.887) 3.022 5.815 ( -3.933 -2.116 0.929) 4.561 5.924 ( 0.479 3.337 1.161) 3.565 6.001 ( -0.114 2.640 0.572) 2.704 6.050 ( -0.308 2.382 1.742) 2.967 6.130 ( 0.630 2.240 -1.366) 2.698 6.240 ( -0.665 1.220 1.769) 2.249 6.333 ( -0.481 -0.615 -2.363) 2.488 6.392 ( 6.127 -5.563 1.035) 8.340 6.671 ( 5.704 -0.845 0.779) 5.819 6.700 ( 1.260 2.010 -2.574) 3.501 7.043 ( 17.056 -10.760 -9.279) 22.199 7.281 ( -4.589 17.943 -5.405) 19.293 7.894 ( -9.160 -8.897 -12.873) 18.132 14.456 ( -0.010 0.458 -1.094) 1.187 14.487 ( 0.252 1.148 -1.280) 1.737 14.493 ( 0.885 0.122 -1.231) 1.521 14.601 ( -1.422 -2.537 -1.631) 3.335 14.751 ( 2.261 0.311 -0.256) 2.297 14.760 ( 2.621 -0.042 -0.438) 2.658 14.893 ( -1.431 1.271 -0.510) 1.981 14.909 ( -1.482 0.641 -0.626) 1.732 17.865 ( -0.398 1.800 0.382) 1.883 17.870 ( -0.503 1.580 0.691) 1.796 17.916 ( 0.739 -1.365 0.899) 1.794 17.994 ( -1.142 -2.933 0.215) 3.155 18.105 ( 0.905 -0.562 0.050) 1.067 18.140 ( 2.063 -1.779 -0.062) 2.725 18.242 ( -2.192 0.682 0.519) 2.353 18.300 ( -2.973 -1.545 0.364) 3.371 18.477 ( 0.377 2.945 0.766) 3.067 18.509 ( -0.495 2.606 0.872) 2.792 18.554 ( 1.706 -0.534 0.989) 2.043 18.613 ( -0.329 -1.574 -0.091) 1.610 24.803 ( 0.161 0.112 0.213) 0.289 24.807 ( 0.359 -0.015 0.123) 0.380 24.825 ( -0.371 0.198 0.461) 0.625 24.835 ( -0.403 -0.236 0.416) 0.625 25.856 ( 0.166 -0.687 -1.573) 1.725 25.914 ( 3.768 -1.953 -1.700) 4.572 26.004 ( -3.049 -1.515 0.885) 3.518 26.085 ( 0.550 -5.089 0.162) 5.121 26.153 ( 4.394 1.597 -0.332) 4.687 26.296 ( -2.021 -1.189 3.033) 3.834 26.367 ( 1.096 -4.140 2.384) 4.901 26.459 ( 2.258 -4.454 5.957) 7.773 27.363 ( -2.281 9.878 -7.299) 12.492 27.413 ( -2.744 10.040 -7.456) 12.803 27.726 ( 0.597 -1.758 -4.350) 4.729 27.808 ( -1.953 -5.390 -0.802) 5.788 ======================= Grid point 47 (21/60) ======================= q-point: ( 0.40 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 10.250 14.027 9.266) 19.690 1.530 ( 14.539 16.179 2.943) 21.950 1.602 ( -13.242 6.387 4.294) 15.316 1.801 ( -8.733 3.191 -1.696) 9.451 1.959 ( -5.226 1.698 2.759) 6.149 2.000 ( -6.938 -2.730 2.144) 7.757 2.290 ( 4.093 -12.319 0.323) 12.985 2.358 ( 0.596 -4.407 -0.538) 4.480 2.419 ( 1.972 1.159 2.881) 3.678 2.488 ( -2.772 -2.835 -0.132) 3.967 2.661 ( 6.275 -4.715 -1.577) 8.005 2.763 ( -1.760 -6.803 1.697) 7.229 2.908 ( 6.987 7.161 2.047) 10.213 3.008 ( -2.384 4.536 -0.889) 5.201 3.061 ( 1.552 0.711 2.302) 2.866 3.131 ( -4.954 1.161 3.500) 6.176 3.205 ( 8.688 4.884 0.051) 9.967 3.332 ( -1.613 3.137 0.295) 3.539 3.366 ( 1.347 -1.531 -0.904) 2.231 3.411 ( -3.996 1.612 2.511) 4.986 3.479 ( 4.296 -6.052 -1.340) 7.541 3.522 ( 1.483 -0.628 -2.550) 3.016 3.592 ( -0.966 -2.193 -4.721) 5.294 3.647 ( -3.589 -2.737 -3.971) 6.012 3.810 ( 5.389 6.661 6.916) 11.011 3.888 ( 0.637 2.367 2.560) 3.544 3.939 ( 1.986 2.501 2.390) 3.989 3.958 ( 1.098 3.295 2.863) 4.501 4.094 ( -3.952 0.623 5.578) 6.865 4.185 ( -9.364 7.421 2.540) 12.215 4.425 ( 1.809 -1.250 -3.251) 3.925 4.454 ( -1.479 -0.945 -2.184) 2.802 4.500 ( 2.535 2.902 0.934) 3.965 4.554 ( -2.558 3.017 2.146) 4.500 4.750 ( 6.725 0.363 -2.206) 7.087 4.787 ( 3.484 0.233 -2.349) 4.208 4.836 ( -0.221 0.961 0.702) 1.210 4.871 ( -0.263 -1.740 0.806) 1.935 4.941 ( 2.416 -13.790 2.466) 14.215 5.064 ( -7.779 -5.490 0.027) 9.521 5.302 ( 1.931 -1.402 0.851) 2.534 5.381 ( -4.565 -0.395 1.457) 4.808 5.399 ( 0.613 -4.569 1.654) 4.898 5.457 ( -5.648 -5.714 1.675) 8.207 5.665 ( -1.226 -1.238 1.936) 2.604 5.675 ( -1.746 0.525 2.595) 3.172 5.762 ( -0.466 -3.208 1.118) 3.429 5.774 ( -1.023 -2.550 1.986) 3.390 5.935 ( 1.246 4.729 -0.329) 4.902 5.970 ( -2.227 5.006 -0.525) 5.504 6.088 ( 2.949 1.365 0.840) 3.357 6.131 ( -1.294 1.732 0.147) 2.166 6.237 ( 1.182 2.645 1.225) 3.146 6.280 ( -2.967 3.731 0.563) 4.800 6.549 ( 7.340 -6.820 -1.380) 10.114 6.647 ( -3.555 -5.136 -1.385) 6.398 6.899 ( 13.443 12.357 -3.079) 18.518 7.121 ( -9.785 16.649 -5.229) 20.007 7.384 ( 16.582 -10.861 -10.080) 22.238 7.673 ( -14.354 -9.128 -11.752) 20.675 14.462 ( 0.595 1.191 -1.111) 1.734 14.476 ( -0.799 1.841 -1.191) 2.334 14.527 ( 2.199 -1.707 -1.334) 3.087 14.568 ( -2.108 -2.228 -1.463) 3.398 14.802 ( 3.065 0.745 -0.526) 3.198 14.815 ( 3.137 0.324 -0.739) 3.239 14.856 ( -2.523 1.083 -0.551) 2.801 14.870 ( -2.654 0.551 -0.680) 2.795 17.859 ( -0.150 1.486 0.508) 1.578 17.861 ( -0.390 1.688 0.640) 1.847 17.936 ( 1.468 -2.635 0.823) 3.127 17.966 ( -1.726 -3.197 0.605) 3.683 18.137 ( 2.428 0.381 0.118) 2.460 18.178 ( 0.517 -0.273 -0.134) 0.600 18.198 ( -0.842 -0.850 0.754) 1.414 18.241 ( -3.135 -1.491 0.594) 3.522 18.487 ( 0.672 3.101 0.801) 3.272 18.499 ( -0.590 3.129 0.800) 3.283 18.583 ( 1.324 -1.456 0.313) 1.993 18.602 ( -0.825 -1.657 0.052) 1.852 24.808 ( 0.367 0.191 0.258) 0.488 24.814 ( 0.193 0.071 0.135) 0.246 24.817 ( -0.124 0.042 0.341) 0.365 24.826 ( -0.566 -0.183 0.231) 0.638 25.875 ( 1.904 -0.062 -0.274) 1.925 25.921 ( -2.850 -0.236 0.681) 2.940 26.020 ( 4.075 -4.710 -1.369) 6.377 26.076 ( -1.698 -6.359 -0.730) 6.622 26.225 ( 2.816 2.110 0.630) 3.575 26.262 ( -1.701 2.136 3.017) 4.069 26.411 ( 3.480 -5.353 2.964) 7.039 26.466 ( -1.662 -5.269 5.142) 7.547 27.331 ( -0.486 12.631 -5.738) 13.882 27.355 ( -2.847 12.873 -5.009) 14.103 27.743 ( 1.277 -5.564 -5.615) 8.007 27.772 ( -1.863 -6.418 -4.134) 7.859 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.000 -19.209 -3.104) 19.458 1.669 ( 0.000 19.209 -3.104) 19.458 1.767 ( 0.000 -7.864 -1.239) 7.961 1.767 ( 0.000 7.864 -1.239) 7.961 1.995 ( 0.000 -5.781 7.254) 9.275 1.995 ( 0.000 5.781 7.254) 9.275 2.398 ( 0.000 -4.004 -1.852) 4.411 2.398 ( 0.000 4.004 -1.852) 4.411 2.480 ( 0.000 -4.952 -1.620) 5.210 2.480 ( 0.000 4.952 -1.620) 5.210 2.550 ( 0.000 -0.418 5.023) 5.041 2.550 ( 0.000 0.418 5.023) 5.041 2.846 ( 0.000 -1.723 -4.554) 4.869 2.846 ( 0.000 1.723 -4.554) 4.869 3.108 ( 0.000 -2.024 4.344) 4.792 3.108 ( 0.000 2.024 4.344) 4.792 3.213 ( 0.000 -2.451 -2.092) 3.223 3.213 ( 0.000 2.451 -2.092) 3.223 3.409 ( 0.000 -2.823 -4.104) 4.981 3.409 ( 0.000 2.823 -4.104) 4.981 3.472 ( 0.000 -2.433 -0.908) 2.597 3.472 ( 0.000 2.433 -0.908) 2.597 3.637 ( 0.000 -0.633 4.999) 5.039 3.637 ( 0.000 0.633 4.999) 5.039 3.819 ( 0.000 -4.267 5.689) 7.112 3.819 ( 0.000 4.267 5.689) 7.112 3.940 ( 0.000 -10.766 -2.747) 11.111 3.940 ( 0.000 10.766 -2.747) 11.111 4.238 ( 0.000 -13.774 9.358) 16.652 4.238 ( 0.000 13.774 9.358) 16.652 4.380 ( 0.000 -1.924 -0.710) 2.051 4.380 ( 0.000 1.924 -0.710) 2.051 4.546 ( 0.000 -2.852 6.766) 7.343 4.546 ( 0.000 2.852 6.766) 7.343 4.571 ( 0.000 -1.677 -4.561) 4.860 4.571 ( 0.000 1.677 -4.561) 4.860 4.736 ( 0.000 -0.393 6.169) 6.182 4.736 ( 0.000 0.393 6.169) 6.182 5.213 ( 0.000 -1.043 -1.650) 1.952 5.213 ( 0.000 1.043 -1.650) 1.952 5.423 ( 0.000 -0.667 -2.420) 2.510 5.423 ( 0.000 0.667 -2.420) 2.510 5.595 ( 0.000 -0.559 1.335) 1.448 5.595 ( 0.000 0.559 1.335) 1.448 5.732 ( 0.000 -5.684 -1.368) 5.846 5.732 ( 0.000 5.684 -1.368) 5.846 5.861 ( 0.000 -4.893 -0.589) 4.928 5.861 ( 0.000 4.893 -0.589) 4.928 5.926 ( 0.000 -3.360 2.015) 3.917 5.926 ( 0.000 3.360 2.015) 3.917 6.160 ( 0.000 -1.875 -2.053) 2.781 6.160 ( 0.000 1.875 -2.053) 2.781 6.261 ( 0.000 -4.747 2.716) 5.469 6.261 ( 0.000 4.747 2.716) 5.469 6.409 ( 0.000 -1.702 -3.829) 4.190 6.409 ( 0.000 1.702 -3.829) 4.190 6.707 ( 0.000 -0.787 -2.222) 2.357 6.707 ( 0.000 0.787 -2.222) 2.357 7.712 ( 0.000 -16.073 -9.786) 18.817 7.712 ( 0.000 16.073 -9.786) 18.817 14.462 ( 0.000 -0.205 -1.103) 1.122 14.462 ( 0.000 0.205 -1.103) 1.122 14.555 ( 0.000 -3.032 -1.608) 3.432 14.555 ( 0.000 3.032 -1.608) 3.432 14.731 ( 0.000 -0.070 -0.073) 0.101 14.731 ( 0.000 0.070 -0.073) 0.101 14.926 ( 0.000 -0.446 -0.687) 0.819 14.926 ( 0.000 0.446 -0.687) 0.819 17.892 ( 0.000 -0.739 0.713) 1.027 17.892 ( 0.000 0.739 0.713) 1.027 17.937 ( 0.000 -3.442 0.153) 3.445 17.937 ( 0.000 3.442 0.153) 3.445 18.094 ( 0.000 -0.569 -0.110) 0.580 18.094 ( 0.000 0.569 -0.110) 0.580 18.292 ( 0.000 -1.713 -0.016) 1.713 18.292 ( 0.000 1.713 -0.016) 1.713 18.514 ( 0.000 -0.906 1.475) 1.731 18.514 ( 0.000 0.906 1.475) 1.731 18.575 ( 0.000 -2.251 0.525) 2.311 18.575 ( 0.000 2.251 0.525) 2.311 24.803 ( 0.000 -0.011 0.189) 0.189 24.803 ( 0.000 0.011 0.189) 0.189 24.834 ( 0.000 -0.273 0.476) 0.549 24.834 ( 0.000 0.273 0.476) 0.549 25.846 ( 0.000 -0.027 -3.023) 3.023 25.846 ( 0.000 0.027 -3.023) 3.023 26.029 ( 0.000 -0.302 4.682) 4.692 26.029 ( 0.000 0.302 4.682) 4.692 26.190 ( 0.000 -5.632 -3.115) 6.436 26.190 ( 0.000 5.632 -3.115) 6.436 26.366 ( 0.000 -1.288 6.149) 6.282 26.366 ( 0.000 1.288 6.149) 6.282 27.514 ( 0.000 -1.810 -10.994) 11.142 27.514 ( 0.000 1.810 -10.994) 11.142 27.744 ( 0.000 -2.399 0.567) 2.465 27.744 ( 0.000 2.399 0.567) 2.465 ======================= Grid point 52 (23/60) ======================= q-point: ( 0.20 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -0.341 -17.093 -1.742) 17.185 1.657 ( -0.341 17.093 -1.742) 17.185 1.789 ( 0.952 -13.053 0.754) 13.110 1.789 ( 0.952 13.053 0.754) 13.110 1.949 ( -3.184 -7.696 6.536) 10.586 1.949 ( -3.184 7.696 6.536) 10.586 2.345 ( -8.343 -4.811 0.076) 9.631 2.345 ( -8.343 4.811 0.076) 9.631 2.461 ( 1.919 -0.469 -3.291) 3.838 2.461 ( 1.919 0.469 -3.291) 3.838 2.587 ( 2.144 -6.748 5.388) 8.897 2.587 ( 2.144 6.748 5.388) 8.897 2.915 ( 6.545 -5.992 -3.220) 9.440 2.915 ( 6.545 5.992 -3.220) 9.440 3.120 ( 0.876 -2.031 1.754) 2.823 3.120 ( 0.876 2.031 1.754) 2.823 3.238 ( 2.794 -2.672 0.390) 3.886 3.238 ( 2.794 2.672 0.390) 3.886 3.364 ( -2.583 -2.642 -2.870) 4.678 3.364 ( -2.583 2.642 -2.870) 4.678 3.476 ( 0.085 -5.075 -4.982) 7.112 3.476 ( 0.085 5.075 -4.982) 7.112 3.675 ( 0.595 -2.632 5.538) 6.161 3.675 ( 0.595 2.632 5.538) 6.161 3.796 ( 0.304 -4.357 5.010) 6.646 3.796 ( 0.304 4.357 5.010) 6.646 3.991 ( 3.803 -8.504 -0.865) 9.356 3.991 ( 3.803 8.504 -0.865) 9.356 4.184 ( -2.297 -14.224 5.878) 15.561 4.184 ( -2.297 14.224 5.878) 15.561 4.410 ( 0.865 -1.781 0.433) 2.027 4.410 ( 0.865 1.781 0.433) 2.027 4.569 ( 2.095 -6.203 4.998) 8.237 4.569 ( 2.095 6.203 4.998) 8.237 4.627 ( 5.567 -0.739 -3.279) 6.503 4.627 ( 5.567 0.739 -3.279) 6.503 4.765 ( 2.606 -1.342 5.790) 6.490 4.765 ( 2.606 1.342 5.790) 6.490 5.140 ( -8.564 -3.884 -1.652) 9.547 5.140 ( -8.564 3.884 -1.652) 9.547 5.370 ( -6.178 -3.342 -3.916) 8.042 5.370 ( -6.178 3.342 -3.916) 8.042 5.506 ( -5.923 -4.176 3.163) 7.907 5.506 ( -5.923 4.176 3.163) 7.907 5.717 ( -2.891 -0.503 -0.085) 2.936 5.717 ( -2.891 0.503 -0.085) 2.936 5.769 ( -3.452 -1.055 0.978) 3.740 5.769 ( -3.452 1.055 0.978) 3.740 5.986 ( 2.737 -2.456 0.898) 3.786 5.986 ( 2.737 2.456 0.898) 3.786 6.127 ( -3.083 -3.561 -0.113) 4.712 6.127 ( -3.083 3.561 -0.113) 4.712 6.273 ( 4.389 -3.575 0.853) 5.725 6.273 ( 4.389 3.575 0.853) 5.725 6.498 ( 2.170 -12.141 -1.657) 12.444 6.498 ( 2.170 12.141 -1.657) 12.444 6.834 ( 14.406 -7.928 -5.125) 17.223 6.834 ( 14.406 7.928 -5.125) 17.223 7.640 ( -7.674 -15.087 -9.485) 19.403 7.640 ( -7.674 15.087 -9.485) 19.403 14.470 ( 0.873 -0.845 -1.124) 1.655 14.470 ( 0.873 0.845 -1.124) 1.655 14.544 ( -1.056 -2.803 -1.465) 3.334 14.544 ( -1.056 2.803 -1.465) 3.334 14.757 ( 2.596 -0.238 -0.333) 2.628 14.757 ( 2.596 0.238 -0.333) 2.628 14.912 ( -1.500 -0.434 -0.722) 1.720 14.912 ( -1.500 0.434 -0.722) 1.720 17.890 ( -0.158 -1.099 0.710) 1.318 17.890 ( -0.158 1.099 0.710) 1.318 17.927 ( -0.989 -3.159 0.373) 3.331 17.927 ( -0.989 3.159 0.373) 3.331 18.111 ( 1.770 -0.937 -0.076) 2.004 18.111 ( 1.770 0.937 -0.076) 2.004 18.266 ( -2.550 -1.495 0.163) 2.961 18.266 ( -2.550 1.495 0.163) 2.961 18.523 ( 0.906 -1.384 1.181) 2.033 18.523 ( 0.906 1.384 1.181) 2.033 18.572 ( -0.404 -2.208 0.576) 2.317 18.572 ( -0.404 2.208 0.576) 2.317 24.805 ( 0.265 -0.090 0.191) 0.339 24.805 ( 0.265 0.090 0.191) 0.339 24.830 ( -0.367 -0.269 0.393) 0.602 24.830 ( -0.367 0.269 0.393) 0.602 25.869 ( 2.212 -1.921 -2.519) 3.863 25.869 ( 2.212 1.921 -2.519) 3.863 26.008 ( -1.945 -1.975 2.842) 3.970 26.008 ( -1.945 1.975 2.842) 3.970 26.223 ( 3.290 -4.556 -1.262) 5.760 26.223 ( 3.290 4.556 -1.262) 5.760 26.369 ( 0.077 -3.456 5.809) 6.760 26.369 ( 0.077 3.456 5.809) 6.760 27.518 ( 0.672 -2.612 -9.965) 10.324 27.518 ( 0.672 2.612 -9.965) 10.324 27.706 ( -3.752 -2.601 -0.556) 4.599 27.706 ( -3.752 2.601 -0.556) 4.599 ======================= Grid point 54 (24/60) ======================= q-point: ( 0.40 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 2.508 -12.811 2.015) 13.209 1.675 ( 2.508 12.811 2.015) 13.209 1.747 ( -4.718 -4.869 4.236) 7.994 1.747 ( -4.718 4.869 4.236) 7.994 1.979 ( 6.860 -10.462 2.713) 12.801 1.979 ( 6.860 10.462 2.713) 12.801 2.154 ( -11.064 -9.155 1.541) 14.442 2.154 ( -11.064 9.155 1.541) 14.442 2.524 ( 3.989 -4.266 -1.614) 6.059 2.524 ( 3.989 4.266 -1.614) 6.059 2.586 ( -2.210 -7.351 2.058) 7.947 2.586 ( -2.210 7.351 2.058) 7.947 3.030 ( 5.153 -3.252 1.193) 6.209 3.030 ( 5.153 3.252 1.193) 6.209 3.108 ( -3.103 -3.487 1.520) 4.909 3.108 ( -3.103 3.487 1.520) 4.909 3.306 ( 5.857 -4.542 2.036) 7.687 3.306 ( 5.857 4.542 2.036) 7.687 3.394 ( 0.927 -2.757 -2.859) 4.078 3.394 ( 0.927 2.757 -2.859) 4.078 3.462 ( 1.805 -3.556 -5.990) 7.196 3.462 ( 1.805 3.556 -5.990) 7.196 3.587 ( -7.803 -2.077 -2.175) 8.363 3.587 ( -7.803 2.077 -2.175) 8.363 3.889 ( 7.155 -0.563 6.659) 9.791 3.889 ( 7.155 0.563 6.659) 9.791 3.995 ( -3.591 -2.877 3.895) 6.028 3.995 ( -3.591 2.877 3.895) 6.028 4.243 ( 7.952 -13.628 1.280) 15.830 4.243 ( 7.952 13.628 1.280) 15.830 4.380 ( -4.755 -5.648 0.784) 7.424 4.380 ( -4.755 5.648 0.784) 7.424 4.624 ( 4.056 -9.007 3.235) 10.395 4.624 ( 4.056 9.007 3.235) 10.395 4.703 ( -1.038 -7.988 1.768) 8.247 4.703 ( -1.038 7.988 1.768) 8.247 4.805 ( 3.466 -1.393 -1.425) 3.998 4.805 ( 3.466 1.393 -1.425) 3.998 4.933 ( -10.241 -5.238 -2.638) 11.801 4.933 ( -10.241 5.238 -2.638) 11.801 5.309 ( 1.577 -2.248 0.240) 2.756 5.309 ( 1.577 2.248 0.240) 2.756 5.399 ( -6.432 -1.452 3.266) 7.358 5.399 ( -6.432 1.452 3.266) 7.358 5.687 ( 0.417 -2.241 1.493) 2.724 5.687 ( 0.417 2.241 1.493) 2.724 5.719 ( -2.580 -1.971 2.946) 4.385 5.719 ( -2.580 1.971 2.946) 4.385 6.032 ( 2.519 -3.906 -0.187) 4.651 6.032 ( 2.519 3.906 -0.187) 4.651 6.077 ( -2.436 -4.245 -0.048) 4.895 6.077 ( -2.436 4.245 -0.048) 4.895 6.377 ( 5.991 -8.787 -0.070) 10.635 6.377 ( 5.991 8.787 -0.070) 10.635 6.472 ( -3.882 -10.707 -0.512) 11.400 6.472 ( -3.882 10.707 -0.512) 11.400 7.147 ( 17.582 -11.282 -7.475) 22.187 7.147 ( 17.582 11.282 -7.475) 22.187 7.440 ( -13.823 -13.103 -8.691) 20.935 7.440 ( -13.823 13.103 -8.691) 20.935 14.492 ( 1.439 -1.612 -1.182) 2.463 14.492 ( 1.439 1.612 -1.182) 2.463 14.520 ( -1.515 -2.286 -1.284) 3.029 14.520 ( -1.515 2.286 -1.284) 3.029 14.814 ( 3.388 -0.366 -0.669) 3.473 14.814 ( 3.388 0.366 -0.669) 3.473 14.872 ( -2.770 -0.399 -0.768) 2.902 14.872 ( -2.770 0.399 -0.768) 2.902 17.891 ( 0.450 -1.762 0.727) 1.958 17.891 ( 0.450 1.762 0.727) 1.958 17.907 ( -1.118 -2.529 0.647) 2.840 17.907 ( -1.118 2.529 0.647) 2.840 18.154 ( 2.826 -1.200 0.093) 3.072 18.154 ( 2.826 1.200 0.093) 3.072 18.211 ( -3.239 -1.275 0.252) 3.490 18.211 ( -3.239 1.275 0.252) 3.490 18.542 ( 1.071 -1.843 0.819) 2.283 18.542 ( 1.071 1.843 0.819) 2.283 18.560 ( -0.829 -2.078 0.664) 2.334 18.560 ( -0.829 2.078 0.664) 2.334 24.812 ( 0.461 -0.185 0.202) 0.537 24.812 ( 0.461 0.185 0.202) 0.537 24.821 ( -0.516 -0.249 0.263) 0.631 24.821 ( -0.516 0.249 0.263) 0.631 25.916 ( 2.778 -3.684 -1.297) 4.793 25.916 ( 2.778 3.684 -1.297) 4.793 25.966 ( -2.576 -3.642 0.427) 4.481 25.966 ( -2.576 3.642 0.427) 4.481 26.295 ( 4.019 -4.119 1.672) 5.992 26.295 ( 4.019 4.119 1.672) 5.992 26.353 ( -2.071 -4.624 4.312) 6.653 26.353 ( -2.071 4.624 4.312) 6.653 27.550 ( 2.937 -3.507 -7.128) 8.470 27.550 ( 2.937 3.507 -7.128) 8.470 27.623 ( -4.769 -3.366 -3.505) 6.809 27.623 ( -4.769 3.366 -3.505) 6.809 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.000 0.000 23.939) 23.939 1.105 ( 0.000 0.000 27.819) 27.819 1.609 ( 0.000 0.000 37.645) 37.645 1.754 ( 0.000 0.000 -3.013) 3.013 1.807 ( 0.000 0.000 1.439) 1.439 2.020 ( 0.000 0.000 -13.368) 13.368 2.165 ( 0.000 0.000 -12.960) 12.960 2.437 ( 0.000 0.000 -4.241) 4.241 2.557 ( 0.000 0.000 -3.462) 3.462 2.593 ( 0.000 0.000 9.095) 9.095 2.629 ( 0.000 0.000 0.592) 0.592 2.638 ( 0.000 0.000 -4.027) 4.027 2.921 ( 0.000 0.000 -6.749) 6.749 2.943 ( 0.000 0.000 -2.532) 2.532 3.122 ( 0.000 0.000 3.653) 3.653 3.170 ( 0.000 0.000 2.000) 2.000 3.202 ( 0.000 0.000 1.445) 1.445 3.276 ( 0.000 0.000 1.683) 1.683 3.449 ( 0.000 0.000 -0.380) 0.380 3.506 ( 0.000 0.000 -2.700) 2.700 3.521 ( 0.000 0.000 -1.182) 1.182 3.577 ( 0.000 0.000 2.733) 2.733 3.751 ( 0.000 0.000 5.724) 5.724 3.817 ( 0.000 0.000 3.639) 3.639 3.820 ( 0.000 0.000 10.886) 10.886 3.839 ( 0.000 0.000 2.608) 2.608 3.882 ( 0.000 0.000 6.233) 6.233 3.914 ( 0.000 0.000 -8.627) 8.627 4.230 ( 0.000 0.000 6.177) 6.177 4.300 ( 0.000 0.000 1.267) 1.267 4.312 ( 0.000 0.000 -9.571) 9.571 4.357 ( 0.000 0.000 -3.953) 3.953 4.537 ( 0.000 0.000 -1.941) 1.941 4.555 ( 0.000 0.000 -5.257) 5.257 4.713 ( 0.000 0.000 8.453) 8.453 4.732 ( 0.000 0.000 -2.627) 2.627 4.854 ( 0.000 0.000 -3.645) 3.645 4.932 ( 0.000 0.000 7.113) 7.113 4.991 ( 0.000 0.000 -6.054) 6.054 5.122 ( 0.000 0.000 10.479) 10.479 5.333 ( 0.000 0.000 3.097) 3.097 5.479 ( 0.000 0.000 -0.784) 0.784 5.556 ( 0.000 0.000 -5.759) 5.759 5.627 ( 0.000 0.000 -1.180) 1.180 5.633 ( 0.000 0.000 -2.391) 2.391 5.788 ( 0.000 0.000 -0.760) 0.760 5.820 ( 0.000 0.000 1.633) 1.633 5.851 ( 0.000 0.000 -0.971) 0.971 5.858 ( 0.000 0.000 5.819) 5.819 6.042 ( 0.000 0.000 0.539) 0.539 6.065 ( 0.000 0.000 1.800) 1.800 6.110 ( 0.000 0.000 1.767) 1.767 6.242 ( 0.000 0.000 -4.075) 4.075 6.338 ( 0.000 0.000 4.981) 4.981 6.376 ( 0.000 0.000 0.622) 0.622 6.597 ( 0.000 0.000 -4.354) 4.354 6.680 ( 0.000 0.000 -1.712) 1.712 6.864 ( 0.000 0.000 -6.160) 6.160 6.989 ( 0.000 0.000 -10.412) 10.412 7.758 ( 0.000 0.000 -11.859) 11.859 14.431 ( 0.000 0.000 -1.927) 1.927 14.432 ( 0.000 0.000 -1.182) 1.182 14.486 ( 0.000 0.000 -0.600) 0.600 14.625 ( 0.000 0.000 -3.097) 3.097 14.725 ( 0.000 0.000 -0.056) 0.056 14.730 ( 0.000 0.000 -0.165) 0.165 14.868 ( 0.000 0.000 0.100) 0.100 14.890 ( 0.000 0.000 -0.231) 0.231 17.825 ( 0.000 0.000 0.809) 0.809 17.865 ( 0.000 0.000 0.450) 0.450 17.945 ( 0.000 0.000 1.529) 1.529 18.144 ( 0.000 0.000 -2.348) 2.348 18.153 ( 0.000 0.000 0.933) 0.933 18.179 ( 0.000 0.000 1.093) 1.093 18.292 ( 0.000 0.000 1.956) 1.956 18.392 ( 0.000 0.000 1.079) 1.079 18.403 ( 0.000 0.000 0.996) 0.996 18.430 ( 0.000 0.000 1.107) 1.107 18.457 ( 0.000 0.000 -1.644) 1.644 18.614 ( 0.000 0.000 -2.017) 2.017 24.805 ( 0.000 0.000 0.232) 0.232 24.805 ( 0.000 0.000 0.241) 0.241 24.840 ( 0.000 0.000 0.810) 0.810 24.858 ( 0.000 0.000 0.269) 0.269 25.916 ( 0.000 0.000 2.130) 2.130 25.932 ( 0.000 0.000 0.051) 0.051 25.967 ( 0.000 0.000 1.956) 1.956 26.171 ( 0.000 0.000 -4.722) 4.722 26.294 ( 0.000 0.000 -0.352) 0.352 26.361 ( 0.000 0.000 -1.323) 1.323 26.486 ( 0.000 0.000 -0.363) 0.363 26.621 ( 0.000 0.000 7.506) 7.506 26.967 ( 0.000 0.000 -10.246) 10.246 27.046 ( 0.000 0.000 -2.754) 2.754 27.639 ( 0.000 0.000 -1.275) 1.275 27.917 ( 0.000 0.000 -1.866) 1.866 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -3.784 0.000 26.395) 26.665 1.191 ( 12.269 0.000 20.082) 23.533 1.730 ( -2.619 0.000 -2.529) 3.640 1.820 ( 1.834 0.000 1.060) 2.119 1.848 ( -17.029 0.000 -8.342) 18.963 1.961 ( 27.388 0.000 27.183) 38.588 2.199 ( 2.726 0.000 -12.972) 13.256 2.454 ( -8.815 0.000 4.347) 9.828 2.536 ( 10.353 0.000 -0.091) 10.353 2.570 ( -2.286 0.000 -4.274) 4.847 2.584 ( -5.648 0.000 -0.040) 5.648 2.767 ( 9.860 0.000 0.668) 9.883 2.818 ( -0.397 0.000 -1.555) 1.605 3.012 ( 1.172 0.000 -2.362) 2.637 3.166 ( 2.937 0.000 -7.293) 7.863 3.207 ( 3.734 0.000 -0.145) 3.737 3.226 ( -2.613 0.000 3.870) 4.669 3.290 ( 8.275 0.000 9.064) 12.274 3.458 ( 0.268 0.000 -3.390) 3.400 3.504 ( -0.841 0.000 -5.898) 5.957 3.543 ( -0.913 0.000 2.025) 2.221 3.572 ( -11.990 0.000 5.337) 13.125 3.589 ( -12.837 0.000 8.112) 15.185 3.621 ( 3.480 0.000 0.980) 3.615 3.776 ( -5.085 0.000 4.996) 7.129 3.863 ( 5.480 0.000 4.267) 6.945 3.999 ( -6.597 0.000 -4.202) 7.821 4.053 ( 6.581 0.000 4.614) 8.037 4.107 ( -8.756 0.000 0.884) 8.801 4.285 ( -1.206 0.000 1.158) 1.672 4.328 ( -0.680 0.000 5.402) 5.445 4.350 ( 4.876 0.000 -6.845) 8.404 4.473 ( -2.320 0.000 4.646) 5.193 4.565 ( 0.930 0.000 -4.458) 4.554 4.606 ( -6.433 0.000 6.714) 9.298 4.719 ( -1.137 0.000 -3.354) 3.541 4.835 ( -2.192 0.000 -3.972) 4.536 4.896 ( -0.344 0.000 0.654) 0.739 5.028 ( 2.285 0.000 -4.381) 4.941 5.255 ( 4.628 0.000 2.469) 5.246 5.293 ( 0.500 0.000 2.651) 2.698 5.459 ( -2.238 0.000 0.326) 2.261 5.627 ( 0.038 0.000 -1.240) 1.241 5.634 ( 0.030 0.000 -1.667) 1.667 5.642 ( 4.793 0.000 -3.051) 5.682 5.748 ( -3.553 0.000 -0.021) 3.553 5.831 ( 0.980 0.000 0.347) 1.040 5.853 ( 0.224 0.000 -0.700) 0.735 5.886 ( 0.983 0.000 2.658) 2.834 5.953 ( -0.770 0.000 2.622) 2.733 6.058 ( -2.052 0.000 1.922) 2.811 6.119 ( 1.153 0.000 1.937) 2.255 6.298 ( 4.008 0.000 -0.984) 4.127 6.334 ( -4.186 0.000 0.801) 4.261 6.466 ( 7.310 0.000 4.958) 8.833 6.611 ( 1.244 0.000 -3.885) 4.079 6.674 ( -0.660 0.000 -1.901) 2.012 6.701 ( -7.316 0.000 -3.034) 7.921 7.175 ( 11.654 0.000 -14.329) 18.470 7.683 ( -7.240 0.000 -13.966) 15.731 14.416 ( -0.544 0.000 -1.431) 1.531 14.442 ( -0.548 0.000 -0.622) 0.829 14.491 ( 1.314 0.000 -1.598) 2.069 14.612 ( -1.371 0.000 -3.067) 3.359 14.738 ( 1.348 0.000 -0.068) 1.350 14.746 ( 1.670 0.000 -0.198) 1.682 14.854 ( -1.450 0.000 0.124) 1.455 14.877 ( -1.412 0.000 -0.241) 1.432 17.827 ( 0.161 0.000 0.756) 0.773 17.855 ( -0.865 0.000 0.528) 1.014 17.977 ( 2.967 0.000 0.899) 3.100 18.141 ( -0.773 0.000 -1.958) 2.105 18.155 ( 0.228 0.000 0.942) 0.969 18.176 ( -0.287 0.000 1.070) 1.108 18.273 ( -1.115 0.000 2.080) 2.360 18.378 ( -3.095 0.000 1.798) 3.580 18.393 ( 0.137 0.000 1.077) 1.086 18.402 ( -0.078 0.000 1.009) 1.012 18.513 ( 3.315 0.000 -2.394) 4.089 18.615 ( -0.189 0.000 -2.167) 2.176 24.806 ( 0.169 0.000 0.289) 0.335 24.809 ( 0.379 0.000 0.236) 0.446 24.835 ( -0.505 0.000 0.758) 0.911 24.850 ( -0.718 0.000 0.346) 0.797 25.942 ( 1.090 0.000 -0.055) 1.091 25.946 ( 4.493 0.000 1.391) 4.704 26.065 ( 8.026 0.000 0.635) 8.051 26.109 ( -4.775 0.000 -2.716) 5.494 26.273 ( -2.309 0.000 -0.380) 2.341 26.457 ( -3.173 0.000 0.072) 3.174 26.458 ( 8.376 0.000 -3.698) 9.156 26.631 ( 1.374 0.000 7.807) 7.927 26.921 ( -4.887 0.000 -9.723) 10.882 26.971 ( -7.345 0.000 -0.279) 7.351 27.678 ( 3.812 0.000 -2.436) 4.524 27.892 ( -2.489 0.000 -2.459) 3.498 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 16.145 0.000 11.720) 19.950 1.454 ( 14.198 0.000 11.088) 18.015 1.470 ( -22.327 0.000 -0.160) 22.328 1.648 ( -6.856 0.000 1.143) 6.950 1.900 ( 7.945 0.000 1.723) 8.130 2.119 ( -13.557 0.000 0.602) 13.570 2.365 ( 3.246 0.000 -4.829) 5.818 2.376 ( 14.323 0.000 5.922) 15.500 2.462 ( -6.223 0.000 -8.601) 10.616 2.522 ( -3.913 0.000 -2.432) 4.607 2.834 ( 22.006 0.000 12.798) 25.456 2.892 ( 5.931 0.000 4.321) 7.338 2.981 ( 11.634 0.000 1.991) 11.803 2.987 ( -3.690 0.000 2.114) 4.252 3.178 ( -3.714 0.000 -2.955) 4.745 3.224 ( 2.515 0.000 4.852) 5.465 3.277 ( 1.284 0.000 -0.533) 1.390 3.335 ( -14.855 0.000 10.580) 18.237 3.387 ( -4.956 0.000 6.082) 7.846 3.390 ( 1.972 0.000 0.299) 1.995 3.436 ( -5.316 0.000 -3.721) 6.488 3.457 ( -3.854 0.000 -2.867) 4.804 3.581 ( 2.983 0.000 -0.899) 3.116 3.630 ( -1.829 0.000 -0.524) 1.903 3.664 ( -2.747 0.000 3.040) 4.097 3.747 ( -8.581 0.000 4.979) 9.921 3.992 ( 6.878 0.000 2.246) 7.235 4.082 ( -2.454 0.000 0.826) 2.589 4.090 ( -0.644 0.000 1.474) 1.609 4.145 ( -5.929 0.000 3.363) 6.816 4.335 ( 3.437 0.000 3.507) 4.911 4.449 ( -7.281 0.000 5.633) 9.205 4.477 ( 7.293 0.000 -1.852) 7.524 4.567 ( -1.906 0.000 -1.762) 2.595 4.667 ( 12.847 0.000 -0.922) 12.880 4.713 ( 1.487 0.000 -5.517) 5.713 4.774 ( -4.103 0.000 -5.179) 6.607 4.861 ( -6.355 0.000 -3.345) 7.181 5.088 ( 5.409 0.000 -0.960) 5.493 5.199 ( -5.347 0.000 1.220) 5.485 5.386 ( 3.344 0.000 1.319) 3.594 5.415 ( -1.446 0.000 1.204) 1.882 5.629 ( 0.209 0.000 -0.974) 0.997 5.633 ( -0.146 0.000 -0.975) 0.986 5.638 ( -1.332 0.000 -4.285) 4.488 5.676 ( -4.468 0.000 -2.129) 4.950 5.848 ( 0.758 0.000 -1.227) 1.442 5.856 ( -0.067 0.000 -0.790) 0.793 5.932 ( 4.628 0.000 3.286) 5.676 6.002 ( -1.864 0.000 3.165) 3.673 6.074 ( 8.169 0.000 2.930) 8.679 6.160 ( 3.482 0.000 2.109) 4.071 6.243 ( -5.199 0.000 1.551) 5.426 6.248 ( -8.765 0.000 0.618) 8.787 6.572 ( 6.184 0.000 7.903) 10.035 6.635 ( 1.327 0.000 -3.116) 3.387 6.655 ( -1.874 0.000 3.209) 3.716 6.658 ( -1.106 0.000 -2.412) 2.653 7.368 ( 9.528 0.000 -18.657) 20.949 7.532 ( -8.616 0.000 -18.447) 20.360 14.413 ( 0.214 0.000 -1.038) 1.060 14.424 ( -0.936 0.000 -0.505) 1.064 14.530 ( 2.556 0.000 -2.489) 3.568 14.577 ( -2.358 0.000 -2.881) 3.723 14.771 ( 2.076 0.000 -0.084) 2.077 14.784 ( 2.003 0.000 -0.368) 2.037 14.822 ( -1.641 0.000 0.205) 1.654 14.841 ( -2.341 0.000 -0.186) 2.348 17.831 ( 0.313 0.000 0.671) 0.741 17.840 ( -0.688 0.000 0.556) 0.885 18.039 ( 3.599 0.000 0.352) 3.617 18.103 ( -3.150 0.000 -0.405) 3.176 18.161 ( 0.395 0.000 0.971) 1.048 18.169 ( -0.431 0.000 1.020) 1.107 18.280 ( 1.756 0.000 1.517) 2.320 18.324 ( -2.797 0.000 1.655) 3.250 18.397 ( 0.189 0.000 1.065) 1.082 18.400 ( -0.153 0.000 1.039) 1.050 18.566 ( 2.426 0.000 -2.553) 3.522 18.601 ( -1.356 0.000 -2.360) 2.722 24.811 ( 0.367 0.000 0.388) 0.534 24.816 ( 0.113 0.000 0.315) 0.334 24.827 ( -0.064 0.000 0.541) 0.544 24.836 ( -0.736 0.000 0.343) 0.812 25.973 ( 2.335 0.000 -0.418) 2.372 26.029 ( -3.750 0.000 -1.198) 3.936 26.064 ( 7.315 0.000 -0.036) 7.315 26.172 ( -1.957 0.000 0.033) 1.957 26.249 ( 4.740 0.000 -0.432) 4.759 26.370 ( -6.193 0.000 0.165) 6.196 26.628 ( 9.664 0.000 -6.217) 11.491 26.687 ( 5.066 0.000 7.316) 8.899 26.797 ( -8.371 0.000 -8.285) 11.778 26.816 ( -8.566 0.000 4.267) 9.570 27.758 ( 4.492 0.000 -3.746) 5.849 27.834 ( -3.711 0.000 -3.582) 5.158 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.000 2.266 23.114) 23.224 1.238 ( 0.000 11.716 22.315) 25.203 1.784 ( 0.000 2.823 -2.499) 3.770 1.831 ( 0.000 3.091 1.012) 3.253 1.889 ( 0.000 18.286 25.228) 31.158 2.092 ( 0.000 6.170 -11.992) 13.486 2.160 ( 0.000 -0.380 -12.260) 12.266 2.432 ( 0.000 0.504 -4.514) 4.542 2.478 ( 0.000 -5.824 -1.932) 6.136 2.567 ( 0.000 -1.903 8.536) 8.746 2.590 ( 0.000 -5.033 2.340) 5.550 2.735 ( 0.000 5.628 -0.740) 5.677 2.914 ( 0.000 -0.316 -6.527) 6.535 2.919 ( 0.000 -2.905 1.278) 3.173 3.037 ( 0.000 -2.920 -3.024) 4.203 3.108 ( 0.000 -5.140 1.823) 5.454 3.254 ( 0.000 2.010 1.565) 2.547 3.266 ( 0.000 -1.419 1.331) 1.945 3.424 ( 0.000 -3.243 -1.475) 3.562 3.461 ( 0.000 -2.062 4.977) 5.387 3.530 ( 0.000 -1.013 -0.443) 1.106 3.588 ( 0.000 2.242 -1.955) 2.974 3.656 ( 0.000 -4.512 4.865) 6.636 3.718 ( 0.000 -2.049 9.691) 9.905 3.802 ( 0.000 -3.663 1.093) 3.823 3.835 ( 0.000 -2.750 4.691) 5.438 3.880 ( 0.000 4.133 6.248) 7.491 4.109 ( 0.000 8.707 -7.984) 11.813 4.190 ( 0.000 -4.934 -6.860) 8.451 4.285 ( 0.000 0.810 1.686) 1.871 4.332 ( 0.000 2.116 4.243) 4.742 4.398 ( 0.000 2.136 -0.736) 2.259 4.503 ( 0.000 -1.575 -4.759) 5.013 4.566 ( 0.000 -0.513 -0.682) 0.853 4.678 ( 0.000 -0.579 6.712) 6.737 4.801 ( 0.000 2.243 -2.026) 3.022 4.825 ( 0.000 -1.593 -2.731) 3.162 5.010 ( 0.000 7.070 5.867) 9.187 5.020 ( 0.000 2.059 -5.560) 5.929 5.235 ( 0.000 9.971 5.831) 11.551 5.367 ( 0.000 3.002 3.601) 4.688 5.393 ( 0.000 -6.901 2.193) 7.241 5.498 ( 0.000 -2.730 -4.607) 5.355 5.605 ( 0.000 -7.296 3.416) 8.056 5.677 ( 0.000 3.355 -1.450) 3.655 5.683 ( 0.000 -5.388 4.490) 7.014 5.765 ( 0.000 -0.381 -1.550) 1.596 5.880 ( 0.000 0.988 -2.651) 2.829 5.900 ( 0.000 -1.795 3.101) 3.583 5.972 ( 0.000 1.493 1.866) 2.390 6.058 ( 0.000 -0.662 1.365) 1.517 6.182 ( 0.000 -0.312 3.268) 3.283 6.225 ( 0.000 -1.354 -3.710) 3.949 6.302 ( 0.000 7.941 2.723) 8.395 6.482 ( 0.000 -10.929 0.284) 10.933 6.641 ( 0.000 -0.097 -3.755) 3.756 6.642 ( 0.000 10.234 -10.061) 14.352 6.828 ( 0.000 -5.357 -2.516) 5.918 6.965 ( 0.000 0.732 -6.863) 6.901 7.751 ( 0.000 -1.590 -16.482) 16.559 14.431 ( 0.000 -0.039 -1.860) 1.861 14.438 ( 0.000 0.612 -1.277) 1.416 14.470 ( 0.000 -1.080 -0.413) 1.157 14.611 ( 0.000 -1.300 -2.915) 3.192 14.726 ( 0.000 0.068 -0.073) 0.100 14.730 ( 0.000 0.001 -0.154) 0.154 14.877 ( 0.000 0.763 -0.101) 0.769 14.897 ( 0.000 0.598 -0.421) 0.731 17.839 ( 0.000 1.307 0.745) 1.504 17.872 ( 0.000 0.608 0.527) 0.805 17.942 ( 0.000 -0.238 1.539) 1.557 18.078 ( 0.000 -4.045 0.667) 4.100 18.133 ( 0.000 -1.392 -0.892) 1.653 18.157 ( 0.000 -1.824 0.706) 1.956 18.292 ( 0.000 -1.340 1.470) 1.989 18.373 ( 0.000 -2.097 -0.005) 2.097 18.416 ( 0.000 3.649 1.243) 3.855 18.491 ( 0.000 2.304 -0.272) 2.320 18.503 ( 0.000 3.985 0.688) 4.044 18.616 ( 0.000 0.059 -1.464) 1.465 24.805 ( 0.000 0.060 0.240) 0.247 24.805 ( 0.000 0.057 0.279) 0.285 24.840 ( 0.000 -0.007 0.763) 0.763 24.855 ( 0.000 -0.209 0.362) 0.418 25.890 ( 0.000 -2.340 0.319) 2.362 25.893 ( 0.000 -3.719 1.162) 3.897 25.960 ( 0.000 -0.250 -3.279) 3.289 26.157 ( 0.000 -0.856 -0.590) 1.040 26.171 ( 0.000 -3.175 0.669) 3.245 26.428 ( 0.000 -5.710 -0.833) 5.770 26.510 ( 0.000 4.857 4.329) 6.506 26.578 ( 0.000 -2.947 5.038) 5.837 27.055 ( 0.000 6.937 -9.397) 11.681 27.092 ( 0.000 4.383 -7.649) 8.816 27.641 ( 0.000 0.374 -1.945) 1.980 27.896 ( 0.000 -2.084 -1.661) 2.665 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.20 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 5.863 10.058 18.591) 21.935 1.255 ( 6.760 8.419 20.742) 23.384 1.747 ( -4.570 2.423 -0.804) 5.235 1.825 ( -0.803 0.982 -0.179) 1.281 1.943 ( -12.385 8.126 -6.350) 16.116 2.099 ( 15.301 7.437 12.472) 21.094 2.210 ( 6.823 2.564 -6.169) 9.549 2.447 ( -3.875 -1.233 -0.725) 4.131 2.484 ( -5.895 -4.358 7.523) 10.505 2.541 ( 8.084 0.216 -2.479) 8.459 2.602 ( -0.660 -3.408 1.249) 3.690 2.802 ( 5.292 4.401 -4.047) 7.984 2.820 ( -0.679 -0.568 0.338) 0.948 2.942 ( 1.229 -4.903 -1.160) 5.186 3.120 ( 1.887 -3.225 -3.179) 4.906 3.134 ( 4.346 -4.498 2.584) 6.767 3.217 ( -0.461 -0.713 0.464) 0.967 3.302 ( 3.253 0.457 3.603) 4.876 3.401 ( -2.955 -4.272 -0.783) 5.253 3.500 ( 1.373 -3.616 0.573) 3.910 3.537 ( -10.318 -1.384 3.903) 11.118 3.564 ( -1.463 3.231 3.507) 4.988 3.577 ( 1.830 -0.554 -4.481) 4.871 3.652 ( -2.179 1.138 5.832) 6.329 3.775 ( -1.624 1.921 2.677) 3.673 3.880 ( 6.095 -0.273 5.487) 8.206 3.982 ( 4.369 -3.839 5.082) 7.724 4.052 ( -11.069 3.553 -2.300) 11.851 4.173 ( -1.480 1.053 -2.101) 2.777 4.238 ( -3.475 0.815 -1.453) 3.853 4.363 ( 4.744 5.269 0.744) 7.129 4.432 ( 5.281 0.012 1.545) 5.502 4.483 ( -5.215 3.246 3.204) 6.928 4.546 ( -0.152 -1.525 -2.756) 3.154 4.619 ( -4.600 1.101 5.612) 7.340 4.751 ( -4.520 2.655 -2.892) 5.986 4.820 ( -0.890 -0.107 -2.438) 2.597 4.933 ( -2.047 2.621 2.052) 3.908 5.030 ( 0.700 -0.375 -4.701) 4.768 5.284 ( -1.812 1.514 1.931) 3.050 5.316 ( 2.109 0.626 0.237) 2.213 5.422 ( -0.812 -2.072 1.528) 2.700 5.523 ( 1.734 -4.765 0.270) 5.078 5.631 ( -0.907 -2.835 1.228) 3.220 5.694 ( 1.212 -2.611 2.833) 4.038 5.727 ( 5.283 2.258 0.859) 5.809 5.773 ( 1.337 -0.903 -0.660) 1.744 5.868 ( -0.378 -0.906 -0.200) 1.002 5.884 ( -1.312 -1.934 1.539) 2.798 5.919 ( -3.138 4.264 0.458) 5.314 6.058 ( -0.730 0.156 1.676) 1.835 6.171 ( 0.160 -5.171 4.029) 6.557 6.277 ( 2.130 6.841 1.117) 7.251 6.290 ( -3.061 -3.006 -1.160) 4.444 6.515 ( 6.291 -2.837 -3.340) 7.667 6.616 ( -0.562 -2.282 -2.004) 3.088 6.707 ( 0.194 1.964 -2.796) 3.423 6.749 ( -1.440 10.211 -2.545) 10.622 7.099 ( 10.132 -6.317 -12.446) 17.247 7.669 ( -8.151 -1.877 -16.969) 18.918 14.421 ( -0.402 0.403 -1.561) 1.661 14.442 ( -0.461 0.308 -0.518) 0.759 14.481 ( 1.568 -0.850 -1.639) 2.422 14.598 ( -1.357 -1.290 -2.841) 3.403 14.741 ( 1.575 0.214 -0.140) 1.595 14.749 ( 1.862 0.203 -0.333) 1.902 14.863 ( -1.441 0.769 -0.104) 1.637 14.883 ( -1.452 0.564 -0.434) 1.617 17.840 ( 0.083 1.234 0.723) 1.432 17.862 ( -0.792 0.749 0.624) 1.256 17.965 ( 2.205 -1.062 1.131) 2.696 18.073 ( -0.580 -4.001 0.561) 4.082 18.135 ( 0.303 -1.582 0.095) 1.614 18.168 ( 1.004 -0.874 0.119) 1.336 18.273 ( -1.704 -1.320 1.370) 2.554 18.342 ( -2.575 -1.486 0.795) 3.078 18.425 ( 0.639 3.007 1.095) 3.263 18.466 ( -1.210 3.537 1.025) 3.876 18.540 ( 2.296 1.973 -1.046) 3.203 18.617 ( -0.148 0.047 -1.483) 1.491 24.807 ( 0.183 0.073 0.309) 0.366 24.809 ( 0.369 0.044 0.245) 0.445 24.835 ( -0.491 0.006 0.718) 0.870 24.848 ( -0.670 -0.150 0.370) 0.781 25.907 ( 1.271 -3.343 1.277) 3.797 25.935 ( 4.814 -1.980 0.197) 5.209 25.983 ( 1.088 -3.135 -3.690) 4.962 26.145 ( 1.288 1.817 1.102) 2.485 26.196 ( 0.397 -4.548 -1.160) 4.710 26.386 ( -3.764 -3.057 0.248) 4.856 26.508 ( 1.645 -2.347 2.711) 3.945 26.646 ( 4.621 0.819 6.451) 7.977 26.984 ( -5.754 6.885 -9.551) 13.105 27.075 ( -2.950 8.011 -5.762) 10.300 27.664 ( 2.392 -1.185 -3.249) 4.205 27.861 ( -3.359 -2.835 -2.403) 5.010 ======================= Grid point 77 (30/60) ======================= q-point: ( 0.40 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 12.916 14.187 10.487) 21.865 1.480 ( 12.648 2.989 11.060) 17.066 1.555 ( -14.520 7.222 4.124) 16.733 1.703 ( -9.046 4.965 1.057) 10.373 1.903 ( 6.022 0.933 0.680) 6.132 2.090 ( -11.929 -2.619 0.938) 12.249 2.379 ( 3.189 0.534 -3.159) 4.520 2.427 ( 6.336 2.440 2.691) 7.303 2.452 ( -0.551 0.004 -5.405) 5.433 2.516 ( -4.810 -2.373 -2.822) 6.061 2.765 ( 13.910 -5.240 7.858) 16.814 2.877 ( 4.969 -2.266 1.627) 5.699 2.938 ( -0.164 -3.405 0.566) 3.455 2.951 ( 4.980 -1.684 1.718) 5.530 3.130 ( 0.198 -2.124 1.062) 2.383 3.202 ( -1.987 -1.102 4.795) 5.306 3.212 ( -0.406 -1.296 6.491) 6.631 3.281 ( -2.519 -0.478 -2.628) 3.672 3.365 ( 0.575 -3.263 -5.346) 6.289 3.456 ( -2.915 2.971 -0.415) 4.183 3.475 ( 1.234 -0.435 0.255) 1.333 3.530 ( -0.505 -1.466 -1.883) 2.440 3.600 ( 0.628 -0.303 -1.213) 1.399 3.656 ( 1.797 -0.186 5.764) 6.041 3.724 ( -6.181 9.884 4.615) 12.538 3.796 ( -10.698 8.858 7.921) 15.990 3.987 ( 3.775 0.374 4.097) 5.583 4.017 ( -0.088 -2.623 1.499) 3.022 4.147 ( -1.309 0.545 3.830) 4.084 4.175 ( -1.857 3.701 0.738) 4.206 4.381 ( 0.388 3.277 2.179) 3.955 4.434 ( -4.523 -0.971 4.315) 6.326 4.486 ( 4.547 1.207 0.149) 4.707 4.560 ( -1.245 -0.290 -0.464) 1.360 4.673 ( 7.756 0.586 -2.813) 8.271 4.710 ( 1.449 0.295 -4.266) 4.515 4.763 ( -2.409 -0.604 -5.462) 6.000 4.881 ( -6.720 0.684 -3.415) 7.569 5.087 ( 6.024 -0.877 0.239) 6.092 5.208 ( -6.032 0.135 2.913) 6.700 5.369 ( 2.844 -3.114 -0.703) 4.275 5.405 ( -0.721 0.125 1.023) 1.258 5.540 ( 0.694 -3.574 0.116) 3.642 5.580 ( -3.550 -3.934 -0.406) 5.314 5.715 ( 1.318 2.163 -0.272) 2.547 5.745 ( -1.772 3.870 -1.781) 4.614 5.819 ( 2.598 -4.464 0.876) 5.239 5.860 ( -2.208 -1.568 0.867) 2.843 5.891 ( 2.792 -3.492 3.919) 5.945 5.920 ( 1.896 0.914 2.961) 3.633 6.048 ( -0.041 1.557 2.080) 2.599 6.097 ( -5.564 -2.804 2.893) 6.869 6.289 ( 2.120 -1.259 1.186) 2.736 6.311 ( 0.624 2.888 1.241) 3.204 6.587 ( 0.565 1.900 -3.216) 3.778 6.598 ( -1.356 -1.779 -0.298) 2.257 6.715 ( 4.044 4.056 -0.010) 5.728 6.768 ( -0.577 8.884 -0.818) 8.941 7.292 ( 10.701 -6.786 -17.956) 21.977 7.489 ( -10.699 -3.870 -18.569) 21.777 14.419 ( 0.231 0.594 -1.163) 1.327 14.429 ( -0.729 0.567 -0.658) 1.134 14.520 ( 2.434 -0.955 -2.333) 3.504 14.564 ( -2.255 -1.175 -2.654) 3.675 14.778 ( 2.304 0.588 -0.289) 2.396 14.791 ( 2.282 0.514 -0.541) 2.401 14.829 ( -1.884 0.646 -0.076) 1.993 14.847 ( -2.421 0.468 -0.397) 2.498 17.842 ( 0.182 1.051 0.703) 1.277 17.849 ( -0.606 0.870 0.660) 1.248 18.012 ( 2.608 -2.412 0.739) 3.629 18.053 ( -1.728 -3.552 0.568) 3.991 18.149 ( 1.249 -0.781 0.686) 1.625 18.173 ( -0.913 0.327 0.415) 1.055 18.258 ( 0.803 -2.145 1.089) 2.537 18.293 ( -2.542 -1.877 1.115) 3.351 18.436 ( 0.618 3.132 1.049) 3.360 18.448 ( -0.755 3.427 1.061) 3.666 18.579 ( 1.852 0.886 -1.470) 2.525 18.606 ( -1.071 0.265 -1.498) 1.860 24.812 ( 0.377 0.097 0.393) 0.554 24.817 ( 0.179 0.069 0.295) 0.352 24.826 ( -0.144 -0.031 0.538) 0.558 24.835 ( -0.716 -0.100 0.336) 0.797 25.934 ( 1.803 -3.223 0.907) 3.803 25.970 ( -1.833 -3.738 -0.762) 4.233 26.051 ( 6.908 -1.835 -0.889) 7.202 26.160 ( -4.277 -3.094 -1.240) 5.422 26.214 ( 5.127 -0.582 -0.340) 5.171 26.308 ( -4.787 -2.529 -0.135) 5.416 26.581 ( 5.854 -3.780 2.773) 7.500 26.679 ( -2.682 -3.384 6.053) 7.435 26.917 ( 0.651 12.700 -7.102) 14.566 26.991 ( -5.510 11.540 -4.054) 13.415 27.721 ( 3.614 -3.438 -4.719) 6.866 27.791 ( -3.988 -3.928 -4.126) 6.954 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.000 16.536 10.137) 19.395 1.530 ( 0.000 14.476 11.609) 18.556 1.853 ( 0.000 1.591 -2.838) 3.254 1.855 ( 0.000 -0.523 0.736) 0.903 2.066 ( 0.000 -5.378 -4.079) 6.750 2.236 ( 0.000 11.433 9.346) 14.766 2.309 ( 0.000 11.028 -8.228) 13.759 2.340 ( 0.000 -7.309 2.217) 7.638 2.436 ( 0.000 -6.775 0.393) 6.786 2.450 ( 0.000 -0.244 -5.673) 5.678 2.532 ( 0.000 -1.040 7.808) 7.877 2.737 ( 0.000 -1.817 9.270) 9.447 2.850 ( 0.000 -7.122 -0.332) 7.130 2.895 ( 0.000 -2.562 -2.873) 3.849 3.052 ( 0.000 4.972 -9.460) 10.687 3.068 ( 0.000 1.008 0.198) 1.027 3.235 ( 0.000 -0.641 0.376) 0.743 3.244 ( 0.000 -0.040 -1.317) 1.317 3.349 ( 0.000 -4.923 5.196) 7.158 3.423 ( 0.000 -0.078 2.099) 2.100 3.458 ( 0.000 -5.305 -0.770) 5.360 3.619 ( 0.000 -7.502 4.380) 8.687 3.665 ( 0.000 7.032 -1.610) 7.213 3.748 ( 0.000 7.348 8.475) 11.217 3.757 ( 0.000 -0.115 5.496) 5.497 3.803 ( 0.000 1.465 3.135) 3.460 3.945 ( 0.000 1.455 4.421) 4.654 4.062 ( 0.000 -8.053 -6.155) 10.136 4.251 ( 0.000 5.255 -7.039) 8.784 4.267 ( 0.000 1.368 3.118) 3.405 4.394 ( 0.000 -1.826 -1.262) 2.220 4.447 ( 0.000 5.779 6.270) 8.527 4.464 ( 0.000 -2.318 -5.076) 5.580 4.579 ( 0.000 1.894 3.912) 4.347 4.684 ( 0.000 0.892 7.868) 7.918 4.777 ( 0.000 -3.818 1.760) 4.204 4.816 ( 0.000 -0.246 -0.511) 0.567 5.003 ( 0.000 -6.536 -2.006) 6.837 5.136 ( 0.000 3.448 -0.239) 3.456 5.252 ( 0.000 -5.625 9.235) 10.813 5.394 ( 0.000 -4.803 4.041) 6.277 5.403 ( 0.000 0.397 1.861) 1.902 5.489 ( 0.000 12.239 1.446) 12.324 5.550 ( 0.000 6.516 0.376) 6.527 5.677 ( 0.000 1.978 1.691) 2.602 5.736 ( 0.000 1.817 -1.584) 2.410 5.761 ( 0.000 -0.050 -1.256) 1.257 5.862 ( 0.000 -1.916 -3.402) 3.904 5.875 ( 0.000 1.381 -0.028) 1.382 6.027 ( 0.000 -2.794 -0.163) 2.799 6.079 ( 0.000 5.244 0.702) 5.291 6.188 ( 0.000 2.301 2.858) 3.669 6.193 ( 0.000 -2.260 -1.989) 3.010 6.274 ( 0.000 -6.231 0.497) 6.251 6.422 ( 0.000 0.041 -1.761) 1.761 6.587 ( 0.000 -9.266 -2.870) 9.701 6.653 ( 0.000 -3.270 -8.840) 9.425 6.692 ( 0.000 -3.036 0.145) 3.040 7.164 ( 0.000 14.705 -10.071) 17.824 7.663 ( 0.000 -7.085 -18.547) 19.854 14.431 ( 0.000 0.067 -1.704) 1.705 14.444 ( 0.000 -0.515 -1.607) 1.688 14.471 ( 0.000 1.771 -0.809) 1.947 14.572 ( 0.000 -2.292 -2.440) 3.347 14.728 ( 0.000 0.070 -0.084) 0.109 14.730 ( 0.000 -0.028 -0.127) 0.130 14.896 ( 0.000 0.924 -0.534) 1.068 14.909 ( 0.000 0.416 -0.754) 0.861 17.877 ( 0.000 2.234 0.469) 2.283 17.889 ( 0.000 0.988 0.722) 1.224 17.935 ( 0.000 -0.474 1.524) 1.596 18.006 ( 0.000 -3.106 0.105) 3.107 18.102 ( 0.000 -1.133 0.139) 1.142 18.117 ( 0.000 -1.645 0.251) 1.664 18.275 ( 0.000 0.004 0.608) 0.608 18.328 ( 0.000 -2.076 -0.377) 2.109 18.494 ( 0.000 3.360 1.312) 3.607 18.534 ( 0.000 1.566 0.948) 1.830 18.564 ( 0.000 1.814 1.285) 2.223 18.610 ( 0.000 -0.762 -0.391) 0.856 24.807 ( 0.000 0.080 0.267) 0.279 24.807 ( 0.000 0.073 0.306) 0.315 24.841 ( 0.000 0.091 0.656) 0.662 24.850 ( 0.000 -0.288 0.470) 0.551 25.817 ( 0.000 -2.662 -1.957) 3.304 25.831 ( 0.000 -2.768 -1.808) 3.306 25.978 ( 0.000 2.499 -3.972) 4.693 26.150 ( 0.000 -0.133 5.640) 5.641 26.159 ( 0.000 0.901 4.056) 4.155 26.269 ( 0.000 -8.311 -4.017) 9.231 26.521 ( 0.000 -2.325 5.573) 6.039 26.531 ( 0.000 -1.665 8.256) 8.422 27.199 ( 0.000 5.801 -11.511) 12.890 27.202 ( 0.000 5.058 -13.642) 14.550 27.665 ( 0.000 2.135 -2.162) 3.038 27.829 ( 0.000 -4.235 -1.034) 4.360 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.20 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 10.605 13.878 9.436) 19.852 1.537 ( 1.203 15.236 11.429) 19.084 1.826 ( -0.868 -1.208 -0.272) 1.512 1.857 ( -3.289 7.192 2.382) 8.259 2.036 ( -0.742 -8.005 -2.395) 8.388 2.160 ( -10.959 9.257 -3.340) 14.729 2.355 ( 7.414 4.946 0.653) 8.937 2.359 ( 1.086 -4.325 0.662) 4.508 2.419 ( -1.057 -8.227 4.558) 9.465 2.472 ( -2.140 -2.302 6.861) 7.547 2.541 ( 3.481 -0.476 -3.450) 4.924 2.804 ( 5.081 -0.020 -0.402) 5.097 2.840 ( 0.390 -4.780 5.164) 7.047 2.903 ( 2.510 3.426 -5.448) 6.908 3.073 ( 0.433 -0.417 -2.869) 2.931 3.105 ( 4.938 0.793 1.072) 5.115 3.218 ( 0.215 1.452 -2.000) 2.481 3.262 ( 1.550 -1.734 -3.417) 4.134 3.349 ( -1.666 -1.477 3.298) 3.979 3.424 ( -2.154 -5.939 4.167) 7.568 3.440 ( -2.914 -4.214 0.142) 5.125 3.530 ( -0.280 -3.474 0.436) 3.513 3.681 ( -3.029 5.584 1.778) 6.597 3.735 ( -6.700 4.151 1.881) 8.103 3.786 ( 5.737 1.447 1.571) 6.121 3.874 ( 7.591 -0.896 4.766) 9.007 3.929 ( 1.869 0.950 4.590) 5.046 4.086 ( -0.411 -1.409 -0.513) 1.555 4.228 ( -2.004 2.192 2.830) 4.103 4.268 ( 0.167 3.547 1.445) 3.833 4.389 ( -0.594 -1.209 -0.917) 1.629 4.466 ( 4.404 2.664 -1.267) 5.300 4.541 ( 2.696 1.210 -1.868) 3.496 4.569 ( 1.545 3.980 3.141) 5.301 4.636 ( -3.914 -0.204 6.133) 7.278 4.774 ( -2.453 -0.012 0.066) 2.454 4.849 ( 2.089 0.414 -1.655) 2.697 4.965 ( -3.145 -7.319 -0.980) 8.026 5.011 ( -11.438 5.637 4.030) 13.374 5.217 ( -3.933 -6.468 4.280) 8.696 5.296 ( -1.551 -0.179 1.880) 2.444 5.414 ( -0.832 -3.995 1.354) 4.299 5.453 ( -0.109 3.382 2.717) 4.339 5.600 ( -2.648 1.553 2.178) 3.764 5.716 ( 0.134 0.887 1.361) 1.630 5.720 ( 1.842 -1.083 1.757) 2.767 5.770 ( 0.256 -0.197 -1.307) 1.347 5.829 ( -1.902 -1.807 0.519) 2.674 5.926 ( 2.075 3.576 -1.141) 4.289 6.006 ( 0.310 1.914 -1.060) 2.210 6.083 ( -1.703 3.046 1.534) 3.813 6.125 ( -0.485 0.391 0.996) 1.175 6.243 ( -0.045 0.996 -1.040) 1.441 6.298 ( 3.312 -1.966 -0.786) 3.931 6.433 ( 2.893 -6.446 2.490) 7.491 6.629 ( 2.432 3.847 -4.344) 6.292 6.684 ( 1.398 -4.356 0.264) 4.582 6.815 ( 13.989 -7.131 -13.248) 20.544 7.129 ( -3.737 12.206 -9.704) 16.035 7.583 ( -8.331 -6.625 -18.203) 21.087 14.430 ( 0.108 0.469 -1.523) 1.597 14.461 ( 1.410 -0.685 -1.874) 2.443 14.465 ( -0.519 1.545 -0.841) 1.834 14.561 ( -1.214 -2.181 -2.342) 3.423 14.746 ( 1.921 0.234 -0.236) 1.950 14.752 ( 2.147 0.017 -0.390) 2.182 14.882 ( -1.493 0.896 -0.562) 1.830 14.895 ( -1.530 0.386 -0.775) 1.758 17.874 ( -0.225 1.839 0.591) 1.944 17.886 ( -0.397 1.551 0.807) 1.792 17.938 ( 0.538 -1.316 1.357) 1.966 18.000 ( -0.681 -3.179 0.385) 3.274 18.109 ( 1.049 -0.586 0.385) 1.262 18.139 ( 2.052 -1.623 0.014) 2.616 18.254 ( -2.111 -0.072 0.675) 2.218 18.304 ( -2.365 -1.926 0.024) 3.050 18.497 ( 0.374 3.323 1.244) 3.568 18.528 ( -0.521 2.323 1.044) 2.600 18.572 ( 0.770 0.874 0.736) 1.377 18.609 ( -0.158 -0.851 -0.300) 0.916 24.809 ( 0.217 0.108 0.323) 0.404 24.810 ( 0.334 0.040 0.267) 0.429 24.836 ( -0.478 0.092 0.615) 0.785 24.844 ( -0.576 -0.233 0.422) 0.751 25.833 ( 1.830 -2.321 -0.764) 3.053 25.877 ( 4.146 -3.083 -2.145) 5.594 25.973 ( -0.783 1.365 -2.767) 3.183 26.114 ( -2.697 -3.498 1.853) 4.790 26.184 ( 2.172 1.782 2.535) 3.784 26.311 ( 3.654 -4.054 0.085) 5.458 26.451 ( -2.791 -1.088 4.590) 5.481 26.598 ( 2.030 -4.704 7.835) 9.362 27.165 ( -0.651 8.604 -12.381) 15.091 27.241 ( 1.421 6.512 -9.661) 11.737 27.642 ( -2.019 -0.390 -3.537) 4.091 27.779 ( -4.935 -4.877 -2.065) 7.239 ======================= Grid point 82 (33/60) ======================= q-point: ( 0.40 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 12.658 7.190 8.441) 16.828 1.595 ( 5.879 14.713 7.048) 17.341 1.743 ( -6.791 10.393 8.289) 14.928 1.806 ( -4.078 2.489 3.485) 5.914 1.979 ( -4.565 7.098 -0.209) 8.442 2.013 ( -4.638 -4.441 -0.970) 6.494 2.320 ( -0.644 -6.005 2.452) 6.518 2.362 ( -3.898 -10.515 1.185) 11.276 2.443 ( 4.130 0.468 -1.737) 4.505 2.505 ( -1.003 3.491 2.753) 4.558 2.641 ( 8.250 -6.604 0.889) 10.605 2.773 ( -5.357 -7.008 -0.087) 8.822 2.943 ( 5.982 4.846 -3.912) 8.636 2.979 ( 2.307 3.015 -0.214) 3.803 3.100 ( 3.649 -1.466 -0.470) 3.961 3.193 ( -4.241 -2.228 1.876) 5.145 3.211 ( 4.380 1.785 0.737) 4.787 3.278 ( -1.088 0.811 -6.294) 6.438 3.338 ( 5.555 0.974 -0.601) 5.672 3.397 ( 2.106 -3.967 -1.222) 4.654 3.432 ( -0.060 -5.274 -4.254) 6.776 3.529 ( -9.908 1.940 -0.208) 10.098 3.556 ( -0.163 -4.233 2.158) 4.754 3.619 ( -5.020 -2.435 6.084) 8.255 3.922 ( 7.620 7.331 0.756) 10.601 3.978 ( 1.888 1.748 2.896) 3.874 4.014 ( 5.115 0.202 3.993) 6.492 4.038 ( -2.011 7.210 8.708) 11.483 4.197 ( -1.364 3.985 4.983) 6.525 4.248 ( -4.552 6.235 4.588) 8.980 4.392 ( 2.177 -1.173 1.511) 2.898 4.463 ( -4.891 1.767 3.301) 6.159 4.551 ( 0.079 5.059 4.444) 6.734 4.579 ( -0.317 3.278 -0.003) 3.294 4.684 ( 4.675 0.582 -4.159) 6.284 4.724 ( 3.140 0.813 -3.407) 4.704 4.777 ( -5.738 2.345 -5.087) 8.019 4.865 ( -7.176 -2.292 -3.553) 8.329 4.998 ( 5.875 -8.976 4.281) 11.551 5.124 ( -6.692 -8.780 4.192) 11.809 5.327 ( 3.564 0.180 1.260) 3.784 5.381 ( -2.325 -2.416 0.101) 3.354 5.447 ( 0.896 -3.987 3.286) 5.244 5.519 ( -5.357 -2.244 3.651) 6.861 5.715 ( 0.818 -1.969 3.536) 4.130 5.737 ( -0.286 1.026 3.293) 3.461 5.792 ( 1.464 -1.410 1.713) 2.659 5.813 ( -0.095 -0.166 1.604) 1.616 5.930 ( 0.655 3.921 -0.339) 3.990 5.978 ( -3.889 3.856 1.696) 5.733 6.094 ( 3.057 1.025 -0.349) 3.243 6.134 ( -0.656 1.972 -0.058) 2.079 6.260 ( 1.771 2.047 1.080) 2.914 6.300 ( -1.881 0.189 1.472) 2.396 6.522 ( 5.265 -5.837 -1.196) 7.951 6.604 ( -3.519 -3.049 -3.095) 5.591 6.819 ( 10.403 6.381 -4.963) 13.175 6.986 ( -5.169 10.389 -8.248) 14.237 7.125 ( 12.243 -7.698 -15.718) 21.359 7.379 ( -13.263 -6.590 -17.504) 22.929 14.437 ( 0.641 1.065 -1.340) 1.828 14.451 ( -0.842 1.544 -1.152) 2.103 14.494 ( 2.020 -1.428 -1.981) 3.169 14.531 ( -1.931 -1.875 -2.172) 3.459 14.791 ( 2.794 0.573 -0.532) 2.901 14.800 ( 2.876 0.273 -0.735) 2.981 14.844 ( -2.443 0.699 -0.571) 2.605 14.856 ( -2.631 0.278 -0.771) 2.756 17.872 ( 0.004 1.659 0.758) 1.824 17.876 ( -0.491 1.800 0.868) 2.058 17.956 ( 1.297 -2.551 1.138) 3.079 17.981 ( -1.326 -3.147 0.837) 3.516 18.143 ( 2.459 0.232 0.452) 2.511 18.178 ( 0.754 -0.162 0.047) 0.772 18.213 ( -0.869 -1.449 0.778) 1.860 18.252 ( -3.054 -1.988 0.435) 3.670 18.506 ( 0.603 3.247 1.088) 3.477 18.518 ( -0.606 3.006 1.018) 3.231 18.588 ( 0.871 -0.209 0.174) 0.913 18.602 ( -0.621 -0.771 -0.119) 0.997 24.815 ( 0.419 0.156 0.384) 0.589 24.818 ( 0.404 0.054 0.268) 0.488 24.826 ( -0.424 0.021 0.512) 0.665 24.832 ( -0.667 -0.167 0.340) 0.767 25.877 ( 2.753 -1.321 0.388) 3.078 25.923 ( -1.519 -0.693 -0.454) 1.730 25.982 ( 3.812 -4.108 -2.258) 6.042 26.056 ( -3.639 -5.361 -1.331) 6.615 26.246 ( 4.377 3.093 1.300) 5.515 26.324 ( -3.177 3.529 2.746) 5.485 26.475 ( 5.482 -5.955 2.949) 8.615 26.577 ( -4.195 -6.134 5.462) 9.223 27.190 ( 2.995 12.293 -7.965) 14.952 27.241 ( -1.694 11.501 -5.997) 13.080 27.621 ( 0.681 -5.908 -6.104) 8.522 27.678 ( -5.101 -6.709 -4.886) 9.742 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.000 -17.175 -0.801) 17.194 1.625 ( 0.000 17.175 -0.801) 17.194 1.786 ( 0.000 -6.154 3.540) 7.100 1.786 ( 0.000 6.154 3.540) 7.100 2.144 ( 0.000 -10.321 4.715) 11.347 2.144 ( 0.000 10.321 4.715) 11.347 2.341 ( 0.000 -1.563 -0.218) 1.578 2.341 ( 0.000 1.563 -0.218) 1.578 2.453 ( 0.000 -0.812 -0.067) 0.815 2.453 ( 0.000 0.812 -0.067) 0.815 2.628 ( 0.000 -11.573 -1.002) 11.616 2.628 ( 0.000 11.573 -1.002) 11.616 2.802 ( 0.000 -5.531 2.431) 6.041 2.802 ( 0.000 5.531 2.431) 6.041 3.097 ( 0.000 -0.977 -4.773) 4.872 3.097 ( 0.000 0.977 -4.773) 4.872 3.262 ( 0.000 -1.875 4.809) 5.162 3.262 ( 0.000 1.875 4.809) 5.162 3.332 ( 0.000 -5.435 -3.414) 6.418 3.332 ( 0.000 5.435 -3.414) 6.418 3.471 ( 0.000 -5.465 1.860) 5.772 3.471 ( 0.000 5.465 1.860) 5.772 3.760 ( 0.000 -0.100 5.395) 5.396 3.760 ( 0.000 0.100 5.395) 5.396 3.861 ( 0.000 -9.526 -1.119) 9.592 3.861 ( 0.000 9.526 -1.119) 9.592 3.933 ( 0.000 -4.111 3.634) 5.487 3.933 ( 0.000 4.111 3.634) 5.487 4.334 ( 0.000 -4.002 -1.442) 4.254 4.334 ( 0.000 4.002 -1.442) 4.254 4.381 ( 0.000 -6.168 -2.934) 6.830 4.381 ( 0.000 6.168 -2.934) 6.830 4.565 ( 0.000 -5.231 8.055) 9.604 4.565 ( 0.000 5.231 8.055) 9.604 4.700 ( 0.000 -1.084 7.619) 7.696 4.700 ( 0.000 1.084 7.619) 7.696 4.839 ( 0.000 -4.423 3.222) 5.472 4.839 ( 0.000 4.423 3.222) 5.472 5.179 ( 0.000 -1.905 -0.608) 1.999 5.179 ( 0.000 1.905 -0.608) 1.999 5.399 ( 0.000 -1.413 1.317) 1.932 5.399 ( 0.000 1.413 1.317) 1.932 5.626 ( 0.000 -0.407 1.504) 1.558 5.626 ( 0.000 0.407 1.504) 1.558 5.728 ( 0.000 -2.103 0.982) 2.321 5.728 ( 0.000 2.103 0.982) 2.321 5.821 ( 0.000 -3.993 -3.547) 5.341 5.821 ( 0.000 3.993 -3.547) 5.341 5.936 ( 0.000 -4.551 -1.632) 4.835 5.936 ( 0.000 4.551 -1.632) 4.835 6.134 ( 0.000 -1.532 -0.291) 1.559 6.134 ( 0.000 1.532 -0.291) 1.559 6.291 ( 0.000 -4.307 -1.670) 4.619 6.291 ( 0.000 4.307 -1.670) 4.619 6.348 ( 0.000 -8.768 0.061) 8.768 6.348 ( 0.000 8.768 0.061) 8.768 6.658 ( 0.000 -1.698 -2.491) 3.015 6.658 ( 0.000 1.698 -2.491) 3.015 7.457 ( 0.000 -12.375 -15.763) 20.040 7.457 ( 0.000 12.375 -15.763) 20.040 14.435 ( 0.000 -0.326 -1.552) 1.586 14.435 ( 0.000 0.326 -1.552) 1.586 14.520 ( 0.000 -2.622 -1.780) 3.170 14.520 ( 0.000 2.622 -1.780) 3.170 14.729 ( 0.000 -0.057 -0.099) 0.114 14.729 ( 0.000 0.057 -0.099) 0.114 14.910 ( 0.000 -0.354 -0.831) 0.904 14.910 ( 0.000 0.354 -0.831) 0.904 17.907 ( 0.000 -0.385 0.696) 0.796 17.907 ( 0.000 0.385 0.696) 0.796 17.944 ( 0.000 -2.428 0.616) 2.505 17.944 ( 0.000 2.428 0.616) 2.505 18.095 ( 0.000 -0.416 0.257) 0.489 18.095 ( 0.000 0.416 0.257) 0.489 18.291 ( 0.000 -1.371 -0.147) 1.379 18.291 ( 0.000 1.371 -0.147) 1.379 18.544 ( 0.000 -1.034 1.405) 1.744 18.544 ( 0.000 1.034 1.405) 1.744 18.589 ( 0.000 -0.996 0.806) 1.281 18.589 ( 0.000 0.996 0.806) 1.281 24.808 ( 0.000 -0.003 0.299) 0.299 24.808 ( 0.000 0.003 0.299) 0.299 24.844 ( 0.000 -0.236 0.550) 0.598 24.844 ( 0.000 0.236 0.550) 0.598 25.794 ( 0.000 -0.487 -2.291) 2.342 25.794 ( 0.000 0.487 -2.291) 2.342 26.074 ( 0.000 -6.354 -2.215) 6.729 26.074 ( 0.000 6.354 -2.215) 6.729 26.179 ( 0.000 -0.799 4.039) 4.117 26.179 ( 0.000 0.799 4.039) 4.117 26.498 ( 0.000 -0.518 7.204) 7.223 26.498 ( 0.000 0.518 7.204) 7.223 27.263 ( 0.000 -0.093 -14.468) 14.468 27.263 ( 0.000 0.093 -14.468) 14.468 27.734 ( 0.000 -4.348 -1.020) 4.466 27.734 ( 0.000 4.348 -1.020) 4.466 ======================= Grid point 87 (35/60) ======================= q-point: ( 0.20 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 3.421 -13.500 1.280) 13.986 1.655 ( 3.421 13.500 1.280) 13.986 1.809 ( 2.083 -9.213 2.525) 9.777 1.809 ( 2.083 9.213 2.525) 9.777 2.114 ( -3.623 -13.369 8.013) 16.002 2.114 ( -3.623 13.369 8.013) 16.002 2.334 ( -5.292 -2.644 -0.070) 5.916 2.334 ( -5.292 2.644 -0.070) 5.916 2.402 ( 1.322 -2.249 -1.656) 3.090 2.402 ( 1.322 2.249 -1.656) 3.090 2.645 ( 1.027 -8.824 -0.269) 8.888 2.645 ( 1.027 8.824 -0.269) 8.888 2.903 ( 9.019 -3.564 1.070) 9.757 2.903 ( 9.019 3.564 1.070) 9.757 3.093 ( 0.026 -2.129 -3.974) 4.509 3.093 ( 0.026 2.129 -3.974) 4.509 3.278 ( -1.263 -2.997 1.449) 3.561 3.278 ( -1.263 2.997 1.449) 3.561 3.308 ( -0.294 -6.072 -2.006) 6.401 3.308 ( -0.294 6.072 -2.006) 6.401 3.438 ( -1.376 -4.288 2.695) 5.248 3.438 ( -1.376 4.288 2.695) 5.248 3.741 ( -5.570 -1.269 1.262) 5.851 3.741 ( -5.570 1.269 1.262) 5.851 3.867 ( 2.895 -2.074 -0.518) 3.599 3.867 ( 2.895 2.074 -0.518) 3.599 3.991 ( 6.708 -5.219 4.000) 9.393 3.991 ( 6.708 5.219 4.000) 9.393 4.298 ( -2.572 -2.949 3.029) 4.948 4.298 ( -2.572 2.949 3.029) 4.948 4.447 ( 3.876 -5.411 0.494) 6.674 4.447 ( 3.876 5.411 0.494) 6.674 4.578 ( 2.021 -2.623 2.881) 4.389 4.578 ( 2.021 2.623 2.881) 4.389 4.692 ( 0.189 -7.538 6.183) 9.751 4.692 ( 0.189 7.538 6.183) 9.751 4.845 ( -0.627 -2.384 0.781) 2.586 4.845 ( -0.627 2.384 0.781) 2.586 5.123 ( -7.691 -3.966 0.558) 8.671 5.123 ( -7.691 3.966 0.558) 8.671 5.332 ( -4.752 -3.484 1.570) 6.098 5.332 ( -4.752 3.484 1.570) 6.098 5.563 ( -4.948 -5.329 2.578) 7.716 5.563 ( -4.948 5.329 2.578) 7.716 5.720 ( -2.015 -2.237 0.091) 3.013 5.720 ( -2.015 2.237 0.091) 3.013 5.781 ( 1.182 -1.982 0.538) 2.370 5.781 ( 1.182 1.982 0.538) 2.370 5.988 ( 2.176 -2.514 -1.146) 3.517 5.988 ( 2.176 2.514 -1.146) 3.517 6.132 ( -1.213 -1.376 0.833) 2.014 6.132 ( -1.213 1.376 0.833) 2.014 6.297 ( 2.410 -4.255 1.364) 5.077 6.297 ( 2.410 4.255 1.364) 5.077 6.444 ( 4.843 -13.555 -3.890) 14.911 6.444 ( 4.843 13.555 -3.890) 14.911 6.721 ( 8.559 -3.367 -5.633) 10.785 6.721 ( 8.559 3.367 -5.633) 10.785 7.393 ( -6.908 -11.395 -15.330) 20.312 7.393 ( -6.908 11.395 -15.330) 20.312 14.443 ( 0.826 -0.773 -1.571) 1.936 14.443 ( 0.826 0.773 -1.571) 1.936 14.511 ( -0.889 -2.451 -1.735) 3.132 14.511 ( -0.889 2.451 -1.735) 3.132 14.750 ( 2.154 -0.153 -0.323) 2.183 14.750 ( 2.154 0.153 -0.323) 2.183 14.896 ( -1.558 -0.346 -0.858) 1.812 14.896 ( -1.558 0.346 -0.858) 1.812 17.906 ( -0.072 -1.105 0.813) 1.374 17.906 ( -0.072 1.105 0.813) 1.374 17.938 ( -0.661 -2.539 0.739) 2.725 17.938 ( -0.661 2.539 0.739) 2.725 18.112 ( 1.824 -0.811 0.232) 2.009 18.112 ( 1.824 0.811 0.232) 2.009 18.269 ( -2.242 -1.314 0.069) 2.600 18.269 ( -2.242 1.314 0.069) 2.600 18.548 ( 0.494 -1.042 1.235) 1.689 18.548 ( 0.494 1.042 1.235) 1.689 18.585 ( -0.381 -1.032 0.761) 1.338 18.585 ( -0.381 1.032 0.761) 1.338 24.810 ( 0.274 -0.050 0.305) 0.412 24.810 ( 0.274 0.050 0.305) 0.412 24.839 ( -0.502 -0.209 0.500) 0.739 24.839 ( -0.502 0.209 0.500) 0.739 25.825 ( 3.040 -1.401 -1.950) 3.874 25.825 ( 3.040 1.401 -1.950) 3.874 26.032 ( -3.506 -3.972 -0.847) 5.365 26.032 ( -3.506 3.972 -0.847) 5.365 26.232 ( 4.877 -3.128 2.436) 6.285 26.232 ( 4.877 3.128 2.436) 6.285 26.492 ( -1.074 -4.451 6.437) 7.899 26.492 ( -1.074 4.451 6.437) 7.899 27.291 ( 3.229 -2.411 -12.900) 13.515 27.291 ( 3.229 2.411 -12.900) 13.515 27.677 ( -5.878 -3.989 -1.880) 7.348 27.677 ( -5.878 3.989 -1.880) 7.348 ======================= Grid point 89 (36/60) ======================= q-point: ( 0.40 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 5.498 -6.495 4.191) 9.486 1.742 ( 5.498 6.495 4.191) 9.486 1.825 ( -2.041 -6.887 3.415) 7.953 1.825 ( -2.041 6.887 3.415) 7.953 2.070 ( 1.722 -10.357 6.392) 12.292 2.070 ( 1.722 10.357 6.392) 12.292 2.183 ( -8.669 -5.333 1.491) 10.286 2.183 ( -8.669 5.333 1.491) 10.286 2.503 ( 7.058 -5.197 0.264) 8.769 2.503 ( 7.058 5.197 0.264) 8.769 2.618 ( -4.453 -6.797 1.608) 8.284 2.618 ( -4.453 6.797 1.608) 8.284 3.044 ( 4.352 -2.263 -2.844) 5.670 3.044 ( 4.352 2.263 -2.844) 5.670 3.091 ( -1.260 -5.745 -4.112) 7.177 3.091 ( -1.260 5.745 -4.112) 7.177 3.277 ( 4.643 -3.719 -3.402) 6.853 3.277 ( 4.643 3.719 -3.402) 6.853 3.332 ( 0.767 -2.812 -2.621) 3.920 3.332 ( 0.767 2.812 -2.621) 3.920 3.442 ( 2.250 -5.625 3.676) 7.086 3.442 ( 2.250 5.625 3.676) 7.086 3.574 ( -10.312 -1.929 1.673) 10.623 3.574 ( -10.312 1.929 1.673) 10.623 3.981 ( 6.724 -2.092 1.125) 7.132 3.981 ( 6.724 2.092 1.125) 7.132 4.061 ( -0.810 -3.671 2.807) 4.692 4.061 ( -0.810 3.671 2.807) 4.692 4.311 ( 5.499 -4.999 5.449) 9.215 4.311 ( 5.499 4.999 5.449) 9.215 4.435 ( -5.123 -4.948 5.511) 9.006 4.435 ( -5.123 4.948 5.511) 9.006 4.660 ( 5.771 -0.527 -3.270) 6.654 4.660 ( 5.771 0.527 -3.270) 6.654 4.718 ( 1.611 -8.867 3.051) 9.515 4.718 ( 1.611 8.867 3.051) 9.515 4.801 ( -2.188 -4.203 -0.514) 4.766 4.801 ( -2.188 4.203 -0.514) 4.766 4.909 ( -11.847 -8.591 2.385) 14.827 4.909 ( -11.847 8.591 2.385) 14.827 5.337 ( 4.657 -1.270 2.762) 5.562 5.337 ( 4.657 1.270 2.762) 5.562 5.453 ( -6.892 -3.168 2.142) 7.882 5.453 ( -6.892 3.168 2.142) 7.882 5.736 ( 2.930 -2.706 3.425) 5.257 5.736 ( 2.930 2.706 3.425) 5.257 5.785 ( -1.513 -2.269 3.359) 4.327 5.785 ( -1.513 2.269 3.359) 4.327 6.025 ( 2.507 -4.308 -0.636) 5.025 6.025 ( 2.507 4.308 -0.636) 5.025 6.083 ( -3.499 -4.377 0.816) 5.663 6.083 ( -3.499 4.377 0.816) 5.663 6.373 ( 5.006 -7.432 -0.416) 8.971 6.373 ( 5.006 7.432 -0.416) 8.971 6.451 ( -2.864 -10.046 -1.733) 10.589 6.451 ( -2.864 10.046 -1.733) 10.589 6.958 ( 14.896 -6.685 -11.250) 19.827 6.958 ( 14.896 6.685 -11.250) 19.827 7.213 ( -12.317 -9.208 -13.963) 20.772 7.213 ( -12.317 9.208 -13.963) 20.772 14.463 ( 1.361 -1.425 -1.615) 2.547 14.463 ( 1.361 1.425 -1.615) 2.547 14.489 ( -1.394 -2.016 -1.668) 2.965 14.489 ( -1.394 2.016 -1.668) 2.965 14.800 ( 3.095 -0.247 -0.691) 3.181 14.800 ( 3.095 0.247 -0.691) 3.181 14.855 ( -2.740 -0.308 -0.864) 2.890 14.855 ( -2.740 0.308 -0.864) 2.890 17.909 ( 0.475 -1.855 0.960) 2.142 17.909 ( 0.475 1.855 0.960) 2.142 17.922 ( -0.935 -2.398 0.924) 2.735 17.922 ( -0.935 2.398 0.924) 2.735 18.158 ( 3.003 -1.159 0.286) 3.232 18.158 ( 3.003 1.159 0.286) 3.232 18.216 ( -3.229 -1.254 0.309) 3.478 18.216 ( -3.229 1.254 0.309) 3.478 18.560 ( 0.789 -1.052 0.938) 1.615 18.560 ( 0.789 1.052 0.938) 1.615 18.575 ( -0.726 -1.057 0.762) 1.492 18.575 ( -0.726 1.057 0.762) 1.492 24.818 ( 0.500 -0.111 0.333) 0.611 24.818 ( 0.500 0.111 0.333) 0.611 24.828 ( -0.626 -0.164 0.403) 0.762 24.828 ( -0.626 0.164 0.403) 0.762 25.891 ( 3.927 -2.455 -1.226) 4.791 25.891 ( 3.927 2.455 -1.226) 4.791 25.963 ( -3.897 -2.978 -0.674) 4.951 25.963 ( -3.897 2.978 -0.674) 4.951 26.338 ( 6.283 -5.284 2.380) 8.547 26.338 ( 6.283 5.284 2.380) 8.547 26.442 ( -4.495 -5.951 4.219) 8.569 26.442 ( -4.495 5.951 4.219) 8.569 27.387 ( 7.202 -3.280 -8.780) 11.820 27.387 ( 7.202 3.280 -8.780) 11.820 27.538 ( -8.622 -3.489 -4.545) 10.352 27.538 ( -8.622 3.489 -4.545) 10.352 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 0.000 0.000 14.239) 14.239 1.614 ( 0.000 0.000 23.823) 23.823 1.754 ( 0.000 0.000 2.368) 2.368 1.851 ( 0.000 0.000 4.310) 4.310 1.865 ( 0.000 0.000 -1.385) 1.385 1.930 ( 0.000 0.000 -9.952) 9.952 2.186 ( 0.000 0.000 15.735) 15.735 2.293 ( 0.000 0.000 -6.754) 6.754 2.451 ( 0.000 0.000 -7.112) 7.112 2.639 ( 0.000 0.000 -6.431) 6.431 2.662 ( 0.000 0.000 6.968) 6.968 2.663 ( 0.000 0.000 2.943) 2.943 2.894 ( 0.000 0.000 5.598) 5.598 2.962 ( 0.000 0.000 3.780) 3.780 3.155 ( 0.000 0.000 -0.773) 0.773 3.187 ( 0.000 0.000 -2.440) 2.440 3.244 ( 0.000 0.000 5.695) 5.695 3.286 ( 0.000 0.000 -0.550) 0.550 3.421 ( 0.000 0.000 -4.389) 4.389 3.446 ( 0.000 0.000 2.427) 2.427 3.498 ( 0.000 0.000 -0.898) 0.898 3.630 ( 0.000 0.000 1.832) 1.832 3.751 ( 0.000 0.000 -7.601) 7.601 3.783 ( 0.000 0.000 -0.827) 0.827 3.919 ( 0.000 0.000 6.889) 6.889 3.936 ( 0.000 0.000 3.803) 3.803 4.015 ( 0.000 0.000 7.282) 7.282 4.025 ( 0.000 0.000 9.736) 9.736 4.108 ( 0.000 0.000 -11.491) 11.491 4.252 ( 0.000 0.000 -4.969) 4.969 4.271 ( 0.000 0.000 -4.057) 4.057 4.418 ( 0.000 0.000 9.967) 9.967 4.425 ( 0.000 0.000 -7.956) 7.956 4.486 ( 0.000 0.000 -2.769) 2.769 4.664 ( 0.000 0.000 -4.299) 4.299 4.736 ( 0.000 0.000 -8.010) 8.010 4.759 ( 0.000 0.000 -1.761) 1.761 4.851 ( 0.000 0.000 -5.844) 5.844 5.151 ( 0.000 0.000 13.300) 13.300 5.322 ( 0.000 0.000 5.783) 5.783 5.382 ( 0.000 0.000 1.993) 1.993 5.506 ( 0.000 0.000 1.224) 1.224 5.547 ( 0.000 0.000 8.733) 8.733 5.594 ( 0.000 0.000 -1.278) 1.278 5.606 ( 0.000 0.000 -0.943) 0.943 5.750 ( 0.000 0.000 -3.251) 3.251 5.831 ( 0.000 0.000 -1.013) 1.013 5.836 ( 0.000 0.000 -0.291) 0.291 5.960 ( 0.000 0.000 1.916) 1.916 6.043 ( 0.000 0.000 2.065) 2.065 6.093 ( 0.000 0.000 0.269) 0.269 6.167 ( 0.000 0.000 4.294) 4.294 6.170 ( 0.000 0.000 -2.653) 2.653 6.412 ( 0.000 0.000 1.801) 1.801 6.418 ( 0.000 0.000 3.467) 3.467 6.500 ( 0.000 0.000 -5.534) 5.534 6.638 ( 0.000 0.000 -2.697) 2.697 6.717 ( 0.000 0.000 -8.702) 8.702 6.833 ( 0.000 0.000 -3.451) 3.451 7.486 ( 0.000 0.000 -15.832) 15.832 14.398 ( 0.000 0.000 -1.372) 1.372 14.406 ( 0.000 0.000 -1.358) 1.358 14.481 ( 0.000 0.000 0.120) 0.120 14.565 ( 0.000 0.000 -2.871) 2.871 14.724 ( 0.000 0.000 -0.042) 0.042 14.727 ( 0.000 0.000 -0.146) 0.146 14.871 ( 0.000 0.000 0.168) 0.168 14.885 ( 0.000 0.000 -0.274) 0.274 17.842 ( 0.000 0.000 0.924) 0.924 17.871 ( 0.000 0.000 0.149) 0.149 17.977 ( 0.000 0.000 1.723) 1.723 18.097 ( 0.000 0.000 -2.442) 2.442 18.173 ( 0.000 0.000 1.057) 1.057 18.196 ( 0.000 0.000 0.630) 0.630 18.333 ( 0.000 0.000 2.262) 2.262 18.414 ( 0.000 0.000 1.065) 1.065 18.422 ( 0.000 0.000 0.873) 0.873 18.432 ( 0.000 0.000 -0.990) 0.990 18.453 ( 0.000 0.000 1.249) 1.249 18.566 ( 0.000 0.000 -2.835) 2.835 24.810 ( 0.000 0.000 0.299) 0.299 24.810 ( 0.000 0.000 0.306) 0.306 24.854 ( 0.000 0.000 0.528) 0.528 24.861 ( 0.000 0.000 0.117) 0.117 25.935 ( 0.000 0.000 0.252) 0.252 25.962 ( 0.000 0.000 2.515) 2.515 26.006 ( 0.000 0.000 1.835) 1.835 26.076 ( 0.000 0.000 -4.851) 4.851 26.277 ( 0.000 0.000 -1.072) 1.072 26.358 ( 0.000 0.000 1.316) 1.316 26.436 ( 0.000 0.000 -4.368) 4.368 26.756 ( 0.000 0.000 -10.961) 10.961 26.772 ( 0.000 0.000 7.415) 7.415 27.003 ( 0.000 0.000 -1.789) 1.789 27.649 ( 0.000 0.000 2.315) 2.315 27.870 ( 0.000 0.000 -2.980) 2.980 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -8.944 0.000 24.489) 26.071 1.505 ( 5.236 0.000 10.938) 12.126 1.738 ( -1.966 0.000 3.038) 3.618 1.781 ( -8.770 0.000 2.873) 9.229 1.865 ( 2.769 0.000 2.732) 3.890 1.974 ( 3.738 0.000 -8.022) 8.850 2.267 ( 6.228 0.000 4.302) 7.569 2.369 ( 4.154 0.000 -11.735) 12.449 2.376 ( -5.391 0.000 -6.697) 8.597 2.717 ( -13.127 0.000 9.361) 16.123 2.729 ( 12.818 0.000 12.747) 18.077 2.747 ( 7.767 0.000 -7.636) 10.892 2.842 ( 13.139 0.000 5.932) 14.416 3.008 ( 1.344 0.000 2.355) 2.711 3.011 ( -5.687 0.000 -6.141) 8.369 3.232 ( -0.454 0.000 1.848) 1.903 3.268 ( -2.831 0.000 -11.037) 11.394 3.313 ( 1.087 0.000 5.756) 5.857 3.378 ( -1.628 0.000 -6.313) 6.520 3.507 ( 4.723 0.000 10.240) 11.276 3.521 ( 0.881 0.000 -1.593) 1.821 3.594 ( -3.306 0.000 -1.703) 3.719 3.631 ( -1.225 0.000 0.819) 1.474 3.813 ( -10.343 0.000 11.640) 15.571 3.863 ( -3.521 0.000 1.652) 3.889 3.970 ( 4.610 0.000 6.259) 7.774 3.984 ( 6.558 0.000 2.548) 7.035 4.093 ( 0.619 0.000 -3.108) 3.169 4.118 ( -8.208 0.000 -0.393) 8.217 4.239 ( 10.157 0.000 -2.350) 10.426 4.351 ( 1.658 0.000 -1.293) 2.102 4.382 ( 0.206 0.000 6.722) 6.725 4.451 ( 2.683 0.000 -7.050) 7.544 4.523 ( 1.744 0.000 0.138) 1.749 4.636 ( -2.560 0.000 -5.207) 5.802 4.718 ( -3.212 0.000 2.666) 4.174 4.719 ( -2.174 0.000 -7.160) 7.483 4.860 ( -2.917 0.000 -3.899) 4.869 5.038 ( -6.724 0.000 7.838) 10.327 5.285 ( -1.439 0.000 0.525) 1.532 5.340 ( -0.482 0.000 1.597) 1.668 5.481 ( -2.584 0.000 1.843) 3.174 5.600 ( 0.675 0.000 -0.932) 1.151 5.613 ( 0.605 0.000 -0.776) 0.984 5.621 ( -2.315 0.000 -0.215) 2.325 5.732 ( -3.096 0.000 -1.989) 3.680 5.821 ( -0.532 0.000 -0.898) 1.044 5.839 ( -0.093 0.000 -1.096) 1.100 5.923 ( 3.191 0.000 3.035) 4.404 6.053 ( 2.836 0.000 6.661) 7.240 6.107 ( -0.476 0.000 3.078) 3.114 6.180 ( 1.531 0.000 4.412) 4.670 6.251 ( 6.211 0.000 -3.272) 7.020 6.374 ( -3.858 0.000 2.774) 4.752 6.528 ( 2.160 0.000 -4.282) 4.796 6.532 ( 9.617 0.000 -0.177) 9.619 6.628 ( -1.043 0.000 -2.861) 3.046 6.658 ( -2.676 0.000 0.115) 2.679 6.896 ( 4.488 0.000 -12.641) 13.415 7.399 ( -8.937 0.000 -15.388) 17.795 14.393 ( -0.057 0.000 -0.876) 0.877 14.422 ( 0.842 0.000 -1.387) 1.622 14.472 ( -0.527 0.000 -0.235) 0.577 14.553 ( -1.275 0.000 -2.840) 3.113 14.737 ( 1.359 0.000 -0.031) 1.360 14.742 ( 1.570 0.000 -0.191) 1.582 14.857 ( -1.414 0.000 0.183) 1.425 14.872 ( -1.412 0.000 -0.279) 1.439 17.843 ( 0.053 0.000 0.842) 0.844 17.864 ( -0.700 0.000 0.341) 0.778 18.000 ( 2.331 0.000 1.409) 2.724 18.103 ( 0.402 0.000 -1.963) 2.004 18.175 ( 0.199 0.000 1.016) 1.036 18.194 ( -0.270 0.000 0.672) 0.724 18.313 ( -1.471 0.000 2.106) 2.569 18.399 ( -2.693 0.000 0.355) 2.716 18.415 ( 0.115 0.000 1.045) 1.051 18.421 ( -0.048 0.000 0.890) 0.892 18.484 ( 2.280 0.000 -0.583) 2.354 18.566 ( -0.138 0.000 -2.659) 2.662 24.812 ( 0.238 0.000 0.327) 0.404 24.814 ( 0.375 0.000 0.283) 0.470 24.848 ( -0.553 0.000 0.544) 0.776 24.855 ( -0.627 0.000 0.196) 0.657 25.943 ( 0.932 0.000 0.226) 0.959 25.987 ( 3.371 0.000 2.527) 4.213 26.052 ( -2.209 0.000 -3.072) 3.784 26.077 ( 6.377 0.000 0.433) 6.392 26.256 ( -2.327 0.000 -0.938) 2.509 26.405 ( 4.756 0.000 -1.124) 4.887 26.414 ( -2.538 0.000 -4.057) 4.785 26.722 ( -3.598 0.000 -10.238) 10.852 26.783 ( 1.357 0.000 7.428) 7.551 26.974 ( -2.983 0.000 0.258) 2.995 27.662 ( 1.523 0.000 0.892) 1.765 27.840 ( -3.072 0.000 -3.003) 4.296 ======================= Grid point 107 (39/60) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 3.302 0.000 19.490) 19.768 1.575 ( -11.901 0.000 10.857) 16.109 1.607 ( 5.094 0.000 5.008) 7.144 1.686 ( -3.594 0.000 3.062) 4.722 1.962 ( 6.697 0.000 0.113) 6.698 2.029 ( 0.752 0.000 -6.493) 6.536 2.315 ( 0.567 0.000 -0.838) 1.012 2.375 ( 4.980 0.000 -3.865) 6.304 2.423 ( 0.619 0.000 -7.768) 7.793 2.451 ( -13.173 0.000 8.709) 15.792 2.905 ( 7.637 0.000 -4.849) 9.046 2.932 ( 8.863 0.000 -1.418) 8.975 2.999 ( -2.520 0.000 -0.849) 2.659 3.007 ( 4.960 0.000 -9.125) 10.386 3.066 ( 2.323 0.000 -3.732) 4.396 3.149 ( -7.450 0.000 -10.646) 12.994 3.240 ( 1.589 0.000 -0.505) 1.668 3.287 ( -2.931 0.000 -1.797) 3.438 3.404 ( 3.709 0.000 3.609) 5.175 3.479 ( 6.797 0.000 11.381) 13.256 3.495 ( -4.957 0.000 2.011) 5.350 3.607 ( 1.478 0.000 3.872) 4.144 3.674 ( -5.138 0.000 7.248) 8.884 3.724 ( -12.602 0.000 8.054) 14.956 3.779 ( 12.893 0.000 12.662) 18.070 3.955 ( -5.866 0.000 12.135) 13.479 4.050 ( 3.404 0.000 2.530) 4.241 4.090 ( -1.065 0.000 -0.447) 1.155 4.111 ( 3.538 0.000 2.835) 4.533 4.237 ( -9.549 0.000 6.276) 11.427 4.415 ( 8.484 0.000 -4.457) 9.584 4.438 ( 4.937 0.000 5.217) 7.183 4.501 ( 0.792 0.000 -4.748) 4.814 4.586 ( -6.897 0.000 7.847) 10.447 4.592 ( -0.720 0.000 -6.543) 6.583 4.641 ( 5.846 0.000 -1.113) 5.951 4.651 ( -4.895 0.000 -6.633) 8.243 4.763 ( -4.908 0.000 -5.577) 7.429 5.056 ( 6.650 0.000 -3.236) 7.396 5.211 ( -7.584 0.000 -0.892) 7.636 5.388 ( 3.139 0.000 -0.761) 3.230 5.421 ( -2.057 0.000 -0.356) 2.087 5.543 ( -1.778 0.000 -4.767) 5.088 5.614 ( -7.165 0.000 -3.792) 8.107 5.614 ( 0.727 0.000 -0.396) 0.828 5.621 ( 0.102 0.000 -0.368) 0.382 5.819 ( 0.311 0.000 -1.476) 1.508 5.830 ( -0.765 0.000 -1.671) 1.838 6.050 ( 5.715 0.000 8.650) 10.367 6.104 ( -0.870 0.000 6.535) 6.593 6.137 ( 7.045 0.000 3.797) 8.003 6.225 ( 3.292 0.000 4.291) 5.408 6.266 ( -4.893 0.000 1.671) 5.170 6.296 ( -4.321 0.000 3.522) 5.574 6.567 ( 2.056 0.000 -3.723) 4.253 6.602 ( -1.736 0.000 -3.267) 3.699 6.656 ( 5.024 0.000 -2.485) 5.605 6.696 ( 2.508 0.000 4.549) 5.194 6.996 ( 7.887 0.000 -18.990) 20.563 7.194 ( -12.338 0.000 -16.050) 20.245 14.399 ( 0.767 0.000 -0.341) 0.840 14.418 ( -1.063 0.000 -0.176) 1.077 14.484 ( 1.756 0.000 -2.027) 2.682 14.521 ( -2.040 0.000 -2.656) 3.349 14.770 ( 1.976 0.000 -0.033) 1.977 14.778 ( 1.849 0.000 -0.309) 1.875 14.825 ( -1.620 0.000 0.194) 1.631 14.837 ( -2.141 0.000 -0.208) 2.151 17.844 ( 0.189 0.000 0.706) 0.731 17.851 ( -0.570 0.000 0.556) 0.796 18.051 ( 2.959 0.000 0.843) 3.077 18.095 ( -1.513 0.000 -0.391) 1.563 18.180 ( 0.355 0.000 0.910) 0.977 18.187 ( -0.398 0.000 0.779) 0.875 18.305 ( 1.005 0.000 1.178) 1.549 18.345 ( -2.923 0.000 0.527) 2.970 18.417 ( 0.150 0.000 0.995) 1.006 18.420 ( -0.108 0.000 0.936) 0.943 18.525 ( 2.032 0.000 -1.576) 2.571 18.555 ( -1.162 0.000 -2.245) 2.528 24.819 ( 0.451 0.000 0.391) 0.597 24.822 ( 0.314 0.000 0.301) 0.435 24.837 ( -0.398 0.000 0.485) 0.627 24.842 ( -0.685 0.000 0.283) 0.741 25.968 ( 1.807 0.000 -0.016) 1.807 26.008 ( -2.411 0.000 -0.960) 2.595 26.078 ( 5.993 0.000 1.435) 6.162 26.177 ( -2.641 0.000 0.680) 2.727 26.220 ( 5.125 0.000 -2.306) 5.620 26.338 ( -5.694 0.000 -3.130) 6.498 26.513 ( 6.562 0.000 -5.001) 8.251 26.632 ( -6.031 0.000 -8.172) 10.157 26.827 ( 3.466 0.000 6.749) 7.587 26.903 ( -4.416 0.000 4.202) 6.096 27.705 ( 3.119 0.000 -1.620) 3.515 27.772 ( -3.968 0.000 -2.878) 4.902 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 0.000 -0.477 16.665) 16.671 1.653 ( 0.000 3.522 18.919) 19.244 1.790 ( 0.000 2.534 1.145) 2.781 1.847 ( 0.000 0.261 2.725) 2.738 1.938 ( 0.000 5.506 -2.471) 6.035 1.967 ( 0.000 5.271 -5.106) 7.339 2.215 ( 0.000 0.972 -0.490) 1.088 2.342 ( 0.000 6.096 3.610) 7.084 2.470 ( 0.000 -0.918 -1.978) 2.180 2.593 ( 0.000 -4.080 -2.953) 5.037 2.693 ( 0.000 4.032 -1.782) 4.408 2.694 ( 0.000 1.112 1.825) 2.137 2.857 ( 0.000 -2.468 4.022) 4.719 2.970 ( 0.000 -2.021 3.358) 3.919 3.063 ( 0.000 -3.655 3.667) 5.177 3.124 ( 0.000 -3.245 -0.129) 3.248 3.273 ( 0.000 -5.590 2.862) 6.280 3.295 ( 0.000 -0.730 1.190) 1.396 3.406 ( 0.000 3.770 -0.376) 3.788 3.477 ( 0.000 -2.474 -3.412) 4.215 3.505 ( 0.000 2.276 1.147) 2.548 3.606 ( 0.000 1.212 2.589) 2.859 3.702 ( 0.000 -1.174 -1.312) 1.761 3.804 ( 0.000 -0.039 -1.555) 1.555 3.852 ( 0.000 -7.672 -0.801) 7.714 3.944 ( 0.000 -1.443 4.858) 5.068 4.005 ( 0.000 0.057 5.322) 5.323 4.026 ( 0.000 3.391 2.572) 4.256 4.048 ( 0.000 -1.032 -2.828) 3.011 4.273 ( 0.000 1.962 -0.919) 2.167 4.352 ( 0.000 -1.135 -5.011) 5.138 4.394 ( 0.000 1.805 -5.561) 5.847 4.487 ( 0.000 5.524 8.833) 10.418 4.538 ( 0.000 3.780 -2.208) 4.378 4.684 ( 0.000 1.809 -4.540) 4.887 4.731 ( 0.000 0.276 -6.035) 6.041 4.774 ( 0.000 1.207 -1.233) 1.725 4.880 ( 0.000 1.799 -6.311) 6.563 5.164 ( 0.000 0.571 8.927) 8.946 5.356 ( 0.000 3.292 3.790) 5.020 5.432 ( 0.000 5.082 2.912) 5.857 5.474 ( 0.000 -1.329 3.183) 3.450 5.507 ( 0.000 -1.783 7.898) 8.097 5.646 ( 0.000 2.528 2.097) 3.284 5.658 ( 0.000 3.579 -0.570) 3.624 5.720 ( 0.000 -1.814 -1.758) 2.526 5.792 ( 0.000 -5.483 3.241) 6.370 5.833 ( 0.000 -0.362 -1.996) 2.028 5.963 ( 0.000 1.266 -2.916) 3.179 5.990 ( 0.000 -1.512 6.696) 6.864 6.062 ( 0.000 -2.965 -1.901) 3.522 6.166 ( 0.000 -0.241 -1.688) 1.705 6.264 ( 0.000 2.373 4.566) 5.146 6.377 ( 0.000 2.712 5.861) 6.459 6.426 ( 0.000 -7.753 -4.624) 9.027 6.448 ( 0.000 -0.614 -8.603) 8.625 6.570 ( 0.000 -1.580 -3.924) 4.230 6.768 ( 0.000 0.470 -3.632) 3.662 6.854 ( 0.000 2.681 -3.908) 4.739 7.420 ( 0.000 -5.689 -17.866) 18.750 14.399 ( 0.000 0.047 -1.338) 1.339 14.409 ( 0.000 0.251 -1.471) 1.492 14.470 ( 0.000 -0.770 0.380) 0.858 14.555 ( 0.000 -0.938 -2.678) 2.837 14.725 ( 0.000 0.055 -0.050) 0.074 14.727 ( 0.000 0.020 -0.137) 0.139 14.876 ( 0.000 0.460 0.025) 0.460 14.889 ( 0.000 0.345 -0.389) 0.520 17.854 ( 0.000 1.140 0.823) 1.406 17.879 ( 0.000 0.729 0.206) 0.757 17.974 ( 0.000 -0.284 1.656) 1.680 18.069 ( 0.000 -2.619 -1.348) 2.946 18.136 ( 0.000 -1.927 0.986) 2.165 18.169 ( 0.000 -2.214 0.451) 2.260 18.317 ( 0.000 -1.856 1.146) 2.181 18.367 ( 0.000 -2.670 -0.545) 2.725 18.445 ( 0.000 3.608 1.743) 4.007 18.493 ( 0.000 3.186 0.394) 3.210 18.515 ( 0.000 3.862 0.577) 3.905 18.582 ( 0.000 1.187 -2.005) 2.330 24.811 ( 0.000 0.058 0.287) 0.293 24.811 ( 0.000 0.073 0.295) 0.304 24.853 ( 0.000 -0.065 0.511) 0.516 24.860 ( 0.000 -0.127 0.147) 0.194 25.887 ( 0.000 -4.844 -0.661) 4.888 25.897 ( 0.000 -5.465 -2.050) 5.837 25.942 ( 0.000 -2.228 2.795) 3.575 26.142 ( 0.000 4.129 -1.116) 4.277 26.214 ( 0.000 -0.019 3.582) 3.582 26.389 ( 0.000 -5.617 -2.670) 6.219 26.541 ( 0.000 9.529 -1.332) 9.622 26.630 ( 0.000 -3.642 -1.536) 3.952 26.905 ( 0.000 5.339 -3.983) 6.661 26.977 ( 0.000 -2.285 -3.692) 4.342 27.639 ( 0.000 -0.449 1.855) 1.909 27.851 ( 0.000 -1.836 -3.002) 3.519 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.20 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 1.975 1.381 15.498) 15.685 1.615 ( -1.281 6.837 15.906) 17.360 1.789 ( -1.262 4.403 4.168) 6.193 1.842 ( -0.414 0.287 3.184) 3.224 1.871 ( -5.015 6.709 -1.087) 8.447 1.995 ( 3.268 1.817 -4.494) 5.846 2.263 ( 3.646 -0.222 -4.229) 5.588 2.369 ( 0.410 2.997 -2.371) 3.843 2.476 ( 0.368 4.515 -6.819) 8.187 2.683 ( 1.467 -2.817 8.072) 8.674 2.694 ( 8.386 -4.399 -1.800) 9.639 2.727 ( -4.993 -1.523 8.664) 10.115 2.840 ( 6.827 -0.068 -0.515) 6.847 2.932 ( -2.371 -4.271 -2.722) 5.592 3.024 ( -0.741 0.955 -0.501) 1.309 3.184 ( 2.088 -3.663 -1.333) 4.422 3.256 ( -2.084 -5.795 0.636) 6.191 3.271 ( -2.806 -1.462 -1.515) 3.508 3.431 ( 2.907 4.107 2.318) 5.540 3.495 ( -0.163 -1.862 0.506) 1.936 3.510 ( 1.759 -3.051 -2.445) 4.287 3.609 ( -3.338 3.448 2.406) 5.368 3.628 ( -3.374 1.774 2.599) 4.614 3.761 ( -4.224 -3.705 7.641) 9.485 3.830 ( -1.721 -1.244 2.191) 3.051 3.965 ( 6.717 -3.986 -0.697) 7.842 4.002 ( 2.043 -2.581 0.624) 3.350 4.081 ( 1.670 4.404 0.670) 4.758 4.154 ( 5.250 0.840 4.141) 6.740 4.214 ( -2.756 5.018 0.422) 5.741 4.412 ( 1.331 0.580 -2.420) 2.822 4.450 ( 8.492 0.262 -1.453) 8.620 4.469 ( -0.041 4.641 2.963) 5.506 4.524 ( -1.897 3.243 -0.399) 3.779 4.644 ( -3.172 0.886 -4.737) 5.769 4.705 ( -4.814 0.808 -2.256) 5.378 4.777 ( 0.412 2.607 -0.432) 2.675 4.869 ( -2.826 0.449 -5.860) 6.521 5.082 ( -7.815 4.006 9.343) 12.822 5.279 ( -0.708 -1.247 -0.671) 1.583 5.365 ( -3.288 2.782 2.866) 5.174 5.448 ( -2.947 -1.826 1.014) 3.612 5.564 ( 1.166 -0.547 3.085) 3.343 5.638 ( -2.122 0.693 -0.232) 2.245 5.699 ( 0.273 2.486 -1.598) 2.968 5.738 ( -1.903 2.558 -1.499) 3.523 5.800 ( 1.854 -4.436 2.427) 5.386 5.854 ( 2.630 1.184 -0.528) 2.932 5.900 ( 0.237 1.710 -0.835) 1.917 5.993 ( 1.070 -2.643 8.403) 8.874 6.096 ( 0.103 -1.296 2.305) 2.646 6.213 ( 6.466 -3.417 -1.792) 7.530 6.280 ( -4.343 -2.831 2.241) 5.648 6.314 ( -0.725 2.673 1.856) 3.334 6.459 ( 5.515 -1.183 -0.075) 5.641 6.570 ( 3.658 -3.813 -3.871) 6.550 6.596 ( 6.327 1.979 -6.897) 9.567 6.721 ( -2.998 2.262 -1.424) 4.016 6.878 ( 1.486 -0.789 -8.907) 9.064 7.337 ( -8.535 -5.291 -17.384) 20.076 14.396 ( 0.048 0.274 -0.954) 0.994 14.423 ( 0.869 0.152 -1.437) 1.686 14.463 ( -0.402 -0.685 -0.041) 0.796 14.543 ( -1.237 -0.903 -2.638) 3.050 14.739 ( 1.477 0.142 -0.065) 1.485 14.744 ( 1.668 0.110 -0.233) 1.688 14.862 ( -1.442 0.440 0.027) 1.508 14.875 ( -1.457 0.308 -0.394) 1.540 17.855 ( 0.028 1.123 0.769) 1.361 17.873 ( -0.599 0.865 0.382) 1.119 17.990 ( 1.721 -0.895 1.428) 2.409 18.070 ( -0.024 -2.848 -0.803) 2.959 18.144 ( 0.828 -1.700 0.872) 2.083 18.173 ( 0.560 -1.577 0.264) 1.694 18.297 ( -1.795 -1.743 1.178) 2.765 18.349 ( -1.822 -2.517 -0.067) 3.108 18.450 ( 0.366 3.235 1.412) 3.548 18.483 ( -0.906 3.430 0.696) 3.615 18.528 ( 1.260 3.122 -0.193) 3.372 18.583 ( -0.033 1.232 -1.863) 2.234 24.813 ( 0.247 0.073 0.312) 0.405 24.815 ( 0.354 0.048 0.275) 0.451 24.847 ( -0.530 -0.048 0.528) 0.749 24.854 ( -0.616 -0.112 0.217) 0.662 25.917 ( 2.647 -3.500 -0.627) 4.433 25.924 ( 2.252 -4.381 -2.153) 5.376 25.959 ( 2.390 -4.372 2.500) 5.575 26.146 ( 0.840 3.609 -0.969) 3.830 26.204 ( -1.497 -2.096 1.804) 3.145 26.364 ( -2.981 -1.319 -2.002) 3.826 26.521 ( 0.728 0.367 -1.446) 1.660 26.718 ( 6.287 5.796 -3.631) 9.290 26.840 ( -5.067 0.328 -0.448) 5.097 26.993 ( 0.168 2.957 -2.446) 3.841 27.636 ( -0.065 -2.047 0.496) 2.107 27.809 ( -4.193 -2.791 -3.072) 5.900 ======================= Grid point 112 (42/60) ======================= q-point: ( 0.40 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 4.740 7.252 13.135) 15.735 1.622 ( -3.095 4.369 6.167) 8.167 1.711 ( -2.658 9.091 9.770) 13.608 1.752 ( -3.743 6.847 4.393) 8.955 1.949 ( 7.332 -1.378 0.953) 7.521 2.038 ( -0.516 0.249 -4.015) 4.056 2.307 ( 3.071 0.421 -3.097) 4.382 2.409 ( 3.129 2.068 -4.093) 5.551 2.447 ( -7.805 1.581 1.298) 8.069 2.483 ( -5.912 2.764 3.499) 7.405 2.845 ( 5.980 -6.720 -2.754) 9.408 2.851 ( 8.103 -5.226 -3.356) 10.209 2.935 ( -0.339 -5.247 -1.951) 5.609 2.951 ( 0.433 -5.321 -2.503) 5.896 3.029 ( 4.149 -0.170 -6.829) 7.992 3.139 ( -5.620 -1.134 -9.857) 11.403 3.236 ( 1.751 -0.187 -0.011) 1.761 3.256 ( -0.156 -2.304 1.287) 2.643 3.419 ( -4.575 0.938 1.618) 4.943 3.456 ( -7.094 -0.874 2.582) 7.600 3.505 ( 2.969 -6.601 2.746) 7.742 3.535 ( -1.202 -6.302 5.894) 8.712 3.655 ( 6.312 6.205 6.289) 10.858 3.781 ( -3.985 2.923 2.007) 5.334 3.835 ( 8.020 1.642 8.458) 11.771 3.977 ( -4.884 -2.703 6.321) 8.433 4.077 ( 2.109 2.504 3.359) 4.691 4.092 ( 0.990 3.794 5.649) 6.877 4.182 ( 1.534 6.171 2.754) 6.929 4.222 ( -0.654 1.566 4.996) 5.277 4.458 ( 6.027 2.845 2.035) 6.969 4.481 ( -0.541 2.179 2.786) 3.578 4.503 ( 1.080 1.895 -0.750) 2.306 4.577 ( -3.308 -0.800 -4.413) 5.573 4.593 ( -2.200 0.719 -0.932) 2.495 4.648 ( 5.210 0.550 -1.262) 5.388 4.666 ( -7.979 2.120 0.860) 8.301 4.785 ( -5.377 0.963 -5.290) 7.604 5.079 ( 6.898 1.536 -1.749) 7.280 5.248 ( -9.155 2.232 0.398) 9.432 5.340 ( 4.309 -4.461 -1.467) 6.374 5.397 ( -1.869 -1.111 -1.651) 2.730 5.552 ( -1.501 2.024 0.120) 2.523 5.569 ( -3.768 -1.150 -0.643) 3.991 5.696 ( -0.254 4.901 -1.852) 5.245 5.698 ( -0.690 5.105 -2.002) 5.526 5.826 ( 1.404 -0.455 -0.364) 1.520 5.852 ( -1.300 1.808 -1.425) 2.644 5.992 ( 5.665 -4.694 6.332) 9.707 6.039 ( 2.092 -4.415 8.994) 10.236 6.103 ( 0.650 -0.460 3.756) 3.840 6.162 ( -6.083 -4.405 3.656) 8.353 6.309 ( 3.211 -0.628 0.764) 3.360 6.333 ( 0.573 2.666 0.983) 2.899 6.539 ( 2.879 -0.892 -1.444) 3.342 6.584 ( -1.780 -1.694 -1.238) 2.751 6.685 ( 4.469 2.015 -3.175) 5.841 6.746 ( 0.963 3.718 -1.057) 3.983 6.935 ( 7.519 -5.461 -18.069) 20.319 7.137 ( -12.313 -4.794 -17.221) 21.706 14.403 ( 0.760 0.388 -0.457) 0.968 14.421 ( -0.959 0.325 -0.235) 1.040 14.477 ( 1.758 -0.704 -1.906) 2.687 14.513 ( -1.975 -0.802 -2.462) 3.257 14.774 ( 2.149 0.378 -0.131) 2.186 14.782 ( 2.080 0.330 -0.388) 2.141 14.829 ( -1.836 0.283 0.028) 1.858 14.839 ( -2.251 0.190 -0.334) 2.284 17.856 ( 0.141 1.062 0.699) 1.279 17.862 ( -0.521 0.994 0.598) 1.272 18.029 ( 2.166 -2.056 0.951) 3.135 18.061 ( -1.151 -2.898 0.199) 3.125 18.164 ( 1.241 -0.979 0.806) 1.774 18.182 ( -0.226 -0.265 0.333) 0.482 18.276 ( 0.242 -2.401 0.819) 2.549 18.307 ( -2.486 -2.497 0.276) 3.535 18.457 ( 0.454 3.138 1.058) 3.343 18.467 ( -0.692 3.337 0.843) 3.511 18.554 ( 1.408 2.155 -0.985) 2.756 18.575 ( -0.831 1.507 -1.533) 2.305 24.819 ( 0.452 0.086 0.374) 0.593 24.823 ( 0.349 0.043 0.288) 0.455 24.837 ( -0.433 -0.039 0.482) 0.649 24.841 ( -0.673 -0.095 0.294) 0.741 25.947 ( 1.059 -1.775 0.037) 2.068 25.956 ( 0.381 -3.659 -0.267) 3.689 26.041 ( 5.806 -5.100 -0.138) 7.729 26.140 ( -4.307 -4.884 -1.082) 6.601 26.199 ( 3.902 1.676 -0.584) 4.287 26.287 ( -4.942 0.571 -1.645) 5.240 26.584 ( 5.534 -0.154 -2.282) 5.988 26.701 ( -6.556 2.471 -5.698) 9.030 26.866 ( 6.208 5.796 3.936) 9.361 26.962 ( -3.670 6.861 0.886) 7.831 27.653 ( 2.252 -4.682 -2.146) 5.621 27.720 ( -4.795 -4.651 -3.229) 7.419 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 0.000 5.722 12.800) 14.021 1.724 ( 0.000 1.141 3.741) 3.911 1.839 ( 0.000 2.536 5.106) 5.701 1.869 ( 0.000 1.586 1.540) 2.210 2.033 ( 0.000 5.194 1.720) 5.471 2.195 ( 0.000 13.862 -2.823) 14.146 2.212 ( 0.000 -1.655 -4.830) 5.105 2.422 ( 0.000 -2.632 0.862) 2.769 2.458 ( 0.000 -7.466 -0.944) 7.526 2.496 ( 0.000 7.032 6.906) 9.856 2.674 ( 0.000 -2.395 6.705) 7.120 2.741 ( 0.000 -5.153 -5.627) 7.630 2.842 ( 0.000 0.409 -0.296) 0.505 2.869 ( 0.000 -0.412 -5.686) 5.701 2.979 ( 0.000 -7.672 8.289) 11.294 3.071 ( 0.000 -3.163 -0.594) 3.219 3.199 ( 0.000 2.969 -1.553) 3.351 3.284 ( 0.000 1.389 3.982) 4.217 3.385 ( 0.000 -5.615 -4.415) 7.143 3.447 ( 0.000 -2.994 -0.232) 3.003 3.476 ( 0.000 -1.684 5.726) 5.968 3.632 ( 0.000 -8.836 -6.223) 10.807 3.695 ( 0.000 6.471 4.959) 8.153 3.809 ( 0.000 8.033 -1.281) 8.135 3.843 ( 0.000 -0.183 2.186) 2.193 3.925 ( 0.000 1.126 6.829) 6.921 3.996 ( 0.000 -2.330 1.456) 2.748 4.041 ( 0.000 0.358 5.606) 5.617 4.109 ( 0.000 3.980 -3.835) 5.527 4.276 ( 0.000 -4.319 -8.518) 9.550 4.335 ( 0.000 3.865 4.006) 5.567 4.430 ( 0.000 0.488 -0.368) 0.612 4.613 ( 0.000 5.976 7.552) 9.631 4.633 ( 0.000 4.948 0.405) 4.965 4.735 ( 0.000 2.914 -5.442) 6.174 4.742 ( 0.000 0.108 -4.257) 4.259 4.794 ( 0.000 0.354 1.262) 1.311 4.893 ( 0.000 -1.015 -6.039) 6.124 5.170 ( 0.000 1.217 5.023) 5.168 5.431 ( 0.000 2.537 3.697) 4.484 5.470 ( 0.000 -4.032 6.243) 7.432 5.472 ( 0.000 0.747 5.044) 5.099 5.581 ( 0.000 7.670 3.059) 8.258 5.642 ( 0.000 -1.753 11.250) 11.386 5.691 ( 0.000 0.507 -1.240) 1.340 5.722 ( 0.000 1.994 -0.219) 2.005 5.733 ( 0.000 0.347 -0.257) 0.432 5.803 ( 0.000 -2.065 -2.260) 3.062 5.890 ( 0.000 -2.040 1.855) 2.757 5.974 ( 0.000 -5.379 -5.352) 7.588 6.094 ( 0.000 5.171 1.294) 5.330 6.164 ( 0.000 0.037 -0.713) 0.714 6.256 ( 0.000 -6.574 -1.623) 6.772 6.263 ( 0.000 1.298 4.531) 4.713 6.348 ( 0.000 -6.279 -5.594) 8.410 6.522 ( 0.000 5.982 -3.452) 6.907 6.534 ( 0.000 -3.632 -2.564) 4.446 6.707 ( 0.000 -5.105 1.032) 5.208 6.962 ( 0.000 7.329 -9.994) 12.393 7.283 ( 0.000 -6.940 -20.465) 21.609 14.401 ( 0.000 0.177 -1.271) 1.283 14.412 ( 0.000 -0.104 -1.550) 1.553 14.465 ( 0.000 0.573 0.137) 0.589 14.528 ( 0.000 -1.621 -2.071) 2.630 14.726 ( 0.000 0.058 -0.062) 0.085 14.728 ( 0.000 0.001 -0.112) 0.112 14.887 ( 0.000 0.560 -0.302) 0.636 14.896 ( 0.000 0.232 -0.576) 0.621 17.887 ( 0.000 1.845 0.522) 1.917 17.900 ( 0.000 1.152 0.349) 1.203 17.964 ( 0.000 -0.636 1.430) 1.565 18.007 ( 0.000 -2.886 -0.049) 2.887 18.109 ( 0.000 -0.826 0.497) 0.964 18.124 ( 0.000 -1.741 0.326) 1.771 18.286 ( 0.000 -0.788 0.536) 0.953 18.317 ( 0.000 -1.997 -0.639) 2.097 18.520 ( 0.000 3.105 1.372) 3.395 18.551 ( 0.000 2.069 0.723) 2.191 18.581 ( 0.000 2.140 0.573) 2.215 18.601 ( 0.000 0.468 -0.532) 0.709 24.812 ( 0.000 0.093 0.272) 0.288 24.813 ( 0.000 0.071 0.281) 0.290 24.852 ( 0.000 -0.004 0.455) 0.455 24.857 ( 0.000 -0.187 0.236) 0.301 25.788 ( 0.000 -3.445 -1.156) 3.634 25.798 ( 0.000 -3.282 -1.511) 3.613 25.930 ( 0.000 0.910 -0.828) 1.230 26.160 ( 0.000 -6.527 -6.326) 9.090 26.253 ( 0.000 2.829 5.740) 6.399 26.276 ( 0.000 0.284 6.840) 6.846 26.604 ( 0.000 -0.029 1.868) 1.868 26.665 ( 0.000 1.171 4.621) 4.767 26.941 ( 0.000 0.192 -12.159) 12.160 26.978 ( 0.000 1.590 -10.039) 10.164 27.652 ( 0.000 1.976 0.882) 2.164 27.796 ( 0.000 -3.367 -2.250) 4.049 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 5.913 6.136 9.478) 12.745 1.745 ( 1.822 3.616 7.539) 8.557 1.827 ( -0.186 0.672 1.917) 2.040 1.891 ( 2.018 3.304 1.382) 4.111 2.036 ( -0.220 4.421 2.574) 5.121 2.116 ( -6.386 12.998 1.297) 14.540 2.259 ( 3.553 -0.790 -5.133) 6.293 2.415 ( -1.562 -0.708 1.677) 2.399 2.493 ( 4.561 -3.000 0.003) 5.459 2.577 ( 2.382 -4.607 6.163) 8.055 2.640 ( 0.111 -1.721 3.341) 3.760 2.724 ( -1.463 -3.765 -1.101) 4.187 2.754 ( -1.907 0.621 -3.440) 3.982 2.945 ( 2.309 2.576 -6.828) 7.654 2.994 ( -0.321 -4.837 4.179) 6.401 3.098 ( 2.334 -4.787 -2.982) 6.103 3.190 ( -0.160 1.949 -2.344) 3.053 3.226 ( -2.201 -1.883 0.468) 2.934 3.368 ( -1.141 -4.146 -1.675) 4.616 3.450 ( -3.492 -3.631 0.890) 5.116 3.540 ( 2.669 0.449 6.457) 7.001 3.586 ( -3.098 -4.066 2.714) 5.788 3.694 ( -9.489 2.977 -4.212) 10.800 3.743 ( 1.908 1.193 5.144) 5.615 3.822 ( 3.250 0.192 1.213) 3.475 3.869 ( 1.993 -1.573 -2.616) 3.645 3.992 ( 0.306 1.559 2.106) 2.639 4.148 ( 4.933 0.357 4.880) 6.949 4.230 ( 6.889 4.046 2.294) 8.312 4.321 ( 4.534 3.907 -1.174) 6.100 4.401 ( 6.248 -0.172 -0.928) 6.319 4.435 ( 1.593 0.647 1.856) 2.530 4.587 ( -2.566 5.605 5.062) 7.976 4.625 ( -0.888 4.963 0.971) 5.134 4.671 ( -3.291 1.386 -2.701) 4.477 4.746 ( -3.565 2.266 -3.446) 5.452 4.797 ( 1.193 -0.276 -0.153) 1.234 4.866 ( -2.849 -0.883 -5.450) 6.213 5.155 ( -2.536 1.522 6.725) 7.346 5.267 ( -13.543 0.610 5.597) 14.667 5.422 ( -2.607 1.315 5.155) 5.925 5.440 ( -2.742 0.825 1.381) 3.179 5.530 ( -0.448 -2.652 5.099) 5.765 5.624 ( -2.770 0.836 0.163) 2.898 5.749 ( 1.649 2.235 1.070) 2.977 5.753 ( 2.438 0.077 0.194) 2.447 5.782 ( 2.618 -1.171 2.430) 3.759 5.874 ( 3.485 -5.048 6.218) 8.734 5.886 ( 0.958 2.112 -2.472) 3.390 5.968 ( 1.354 -1.211 -2.262) 2.901 6.089 ( -0.490 3.848 -0.598) 3.925 6.160 ( -0.494 -0.684 1.506) 1.726 6.219 ( 0.401 -0.466 -0.839) 1.040 6.312 ( 2.933 -1.367 2.510) 4.095 6.448 ( 5.183 -7.260 -3.198) 9.476 6.529 ( 1.303 2.409 -5.224) 5.899 6.592 ( 7.520 -2.234 -6.933) 10.469 6.689 ( -1.130 -3.295 0.221) 3.490 6.934 ( -3.140 5.901 -9.623) 11.716 7.212 ( -7.454 -6.245 -19.788) 22.048 14.403 ( 0.375 0.442 -1.079) 1.224 14.425 ( 1.154 -0.249 -1.699) 2.069 14.458 ( -0.729 0.525 0.020) 0.899 14.517 ( -1.101 -1.536 -2.039) 2.780 14.742 ( 1.696 0.159 -0.130) 1.708 14.745 ( 1.825 0.038 -0.251) 1.843 14.873 ( -1.524 0.526 -0.313) 1.642 14.881 ( -1.546 0.198 -0.583) 1.664 17.886 ( -0.057 1.755 0.598) 1.855 17.898 ( -0.211 1.518 0.446) 1.597 17.965 ( 0.287 -1.393 1.348) 1.959 18.006 ( -0.233 -2.964 0.154) 2.977 18.120 ( 1.227 -0.629 0.632) 1.517 18.141 ( 1.780 -1.417 0.060) 2.276 18.267 ( -1.944 -0.762 0.650) 2.187 18.300 ( -1.799 -2.021 -0.365) 2.730 18.522 ( 0.145 3.141 1.224) 3.374 18.546 ( -0.520 2.410 0.720) 2.568 18.582 ( 0.198 1.676 0.329) 1.719 18.601 ( -0.041 0.296 -0.496) 0.579 24.815 ( 0.267 0.104 0.290) 0.408 24.816 ( 0.318 0.052 0.270) 0.421 24.847 ( -0.506 -0.004 0.472) 0.692 24.851 ( -0.579 -0.159 0.281) 0.663 25.821 ( 3.283 -3.420 -0.641) 4.784 25.839 ( 3.908 -3.259 -1.612) 5.338 25.933 ( 0.275 0.557 -0.875) 1.073 26.110 ( -4.327 -5.852 -3.068) 7.898 26.236 ( 0.178 3.640 3.555) 5.091 26.351 ( 4.895 -0.411 4.347) 6.559 26.503 ( -5.310 0.892 0.131) 5.386 26.739 ( -0.935 -6.156 5.650) 8.408 26.919 ( 4.505 8.157 -11.714) 14.968 27.066 ( 5.776 2.284 -7.592) 9.809 27.607 ( -4.473 0.008 -0.027) 4.474 27.734 ( -6.337 -4.156 -2.536) 7.992 ======================= Grid point 117 (45/60) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 5.978 6.898 3.189) 9.669 1.744 ( -2.572 6.709 4.420) 8.436 1.890 ( 6.733 -1.427 6.267) 9.308 1.929 ( 2.304 7.245 1.458) 7.741 1.984 ( -4.584 12.059 3.241) 13.302 2.019 ( -5.030 0.400 6.733) 8.414 2.309 ( 3.362 -2.417 -1.940) 4.573 2.424 ( -4.830 -3.020 0.859) 5.761 2.461 ( 0.964 1.370 6.515) 6.727 2.551 ( -2.639 3.556 2.780) 5.229 2.704 ( 3.990 -5.803 2.334) 7.419 2.760 ( 2.947 -3.372 -1.298) 4.663 2.808 ( 4.767 -2.628 -7.582) 9.334 2.917 ( -5.207 0.530 -4.905) 7.173 2.989 ( 3.622 -3.712 -8.118) 9.633 3.096 ( -4.336 -3.614 -9.339) 10.912 3.214 ( 2.196 -0.995 -0.082) 2.413 3.232 ( 1.129 -0.767 -0.565) 1.477 3.345 ( -0.140 -5.025 -2.114) 5.453 3.382 ( -3.549 -5.613 -1.122) 6.735 3.454 ( -2.395 1.987 8.782) 9.317 3.514 ( -7.950 3.900 0.156) 8.857 3.668 ( 5.828 -5.265 4.893) 9.254 3.751 ( -2.246 -5.686 5.539) 8.250 3.895 ( 5.730 4.261 -2.126) 7.451 3.974 ( -2.247 3.905 -1.233) 4.671 4.051 ( 10.101 -2.749 1.126) 10.529 4.159 ( -2.620 -0.229 3.271) 4.198 4.320 ( 4.816 6.591 6.648) 10.528 4.388 ( 0.315 9.175 5.540) 10.722 4.492 ( 3.428 0.455 -0.289) 3.470 4.507 ( 1.841 -0.465 5.786) 6.090 4.561 ( 1.501 3.310 0.173) 3.638 4.584 ( -2.673 3.035 -1.841) 4.443 4.642 ( -2.032 2.688 -0.803) 3.464 4.680 ( 1.086 1.035 -1.914) 2.432 4.746 ( -7.195 7.395 6.369) 12.125 4.790 ( -5.305 0.240 -2.352) 5.808 5.076 ( 2.081 -2.883 3.656) 5.100 5.175 ( -4.155 -7.642 1.423) 8.814 5.345 ( -1.944 3.663 0.580) 4.187 5.381 ( -3.663 0.800 -0.795) 3.833 5.539 ( 2.447 -3.794 6.000) 7.509 5.594 ( -2.263 0.229 4.084) 4.674 5.776 ( 1.297 2.457 1.225) 3.037 5.792 ( 0.102 1.177 1.893) 2.232 5.811 ( 2.413 1.750 0.232) 2.990 5.862 ( -2.688 -2.469 3.672) 5.178 5.929 ( 4.180 0.864 1.134) 4.417 6.000 ( -1.868 2.678 -0.262) 3.276 6.090 ( 1.967 -1.239 0.206) 2.334 6.133 ( -1.821 0.250 0.935) 2.062 6.278 ( 3.863 0.252 0.455) 3.898 6.329 ( -1.235 -1.250 1.248) 2.155 6.504 ( 2.051 -5.871 -1.007) 6.300 6.537 ( -1.181 -2.521 -3.001) 4.094 6.722 ( 5.578 1.431 -4.476) 7.293 6.795 ( 12.246 -2.870 -13.428) 18.399 6.847 ( -5.758 2.607 -9.248) 11.202 7.029 ( -11.879 -4.923 -17.920) 22.056 14.415 ( 0.931 0.779 -0.765) 1.435 14.434 ( -0.863 0.957 -0.666) 1.451 14.458 ( 1.507 -1.002 -1.512) 2.359 14.490 ( -1.754 -1.313 -1.931) 2.921 14.783 ( 2.550 0.411 -0.292) 2.599 14.788 ( 2.599 0.232 -0.476) 2.653 14.836 ( -2.362 0.332 -0.308) 2.405 14.843 ( -2.518 0.071 -0.544) 2.577 17.886 ( 0.127 1.766 0.708) 1.906 17.892 ( -0.434 1.844 0.657) 2.005 17.977 ( 0.969 -2.547 1.023) 2.911 17.996 ( -0.894 -3.029 0.574) 3.210 18.154 ( 2.355 0.053 0.646) 2.443 18.178 ( 1.315 -0.232 -0.059) 1.337 18.228 ( -1.278 -1.668 0.767) 2.237 18.256 ( -2.755 -2.180 0.030) 3.514 18.526 ( 0.380 3.126 0.924) 3.282 18.535 ( -0.575 2.917 0.739) 3.063 18.589 ( 0.475 0.798 -0.064) 0.931 18.597 ( -0.388 0.287 -0.360) 0.602 24.822 ( 0.486 0.136 0.347) 0.613 24.824 ( 0.466 0.066 0.281) 0.548 24.836 ( -0.561 -0.040 0.453) 0.722 24.839 ( -0.671 -0.138 0.320) 0.756 25.885 ( 3.032 -2.430 0.363) 3.903 25.910 ( 1.752 -1.706 -0.748) 2.557 25.943 ( 2.368 -2.953 -1.406) 4.038 26.024 ( -4.886 -5.149 -2.007) 7.377 26.270 ( 3.732 4.416 1.335) 5.934 26.357 ( -4.694 5.174 0.652) 7.017 26.507 ( 6.112 -5.661 0.422) 8.342 26.639 ( -7.385 -6.186 0.045) 9.634 27.069 ( 8.551 10.705 -3.299) 14.093 27.148 ( 1.281 9.143 -3.354) 9.823 27.531 ( -1.645 -6.260 -2.867) 7.079 27.596 ( -7.378 -6.827 -3.581) 10.671 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.000 -7.762 2.157) 8.056 1.643 ( 0.000 7.762 2.157) 8.056 1.887 ( 0.000 -0.697 6.285) 6.323 1.887 ( 0.000 0.697 6.285) 6.323 2.142 ( 0.000 -4.667 -1.172) 4.812 2.142 ( 0.000 4.667 -1.172) 4.812 2.376 ( 0.000 -0.647 0.444) 0.784 2.376 ( 0.000 0.647 0.444) 0.784 2.496 ( 0.000 -13.354 -0.466) 13.362 2.496 ( 0.000 13.354 -0.466) 13.362 2.617 ( 0.000 -2.801 5.324) 6.016 2.617 ( 0.000 2.801 5.324) 6.016 2.852 ( 0.000 -1.298 1.645) 2.095 2.852 ( 0.000 1.298 1.645) 2.095 2.975 ( 0.000 -5.147 -6.514) 8.301 2.975 ( 0.000 5.147 -6.514) 8.301 3.272 ( 0.000 -3.521 -2.373) 4.246 3.272 ( 0.000 3.521 -2.373) 4.246 3.379 ( 0.000 -5.067 7.238) 8.836 3.379 ( 0.000 5.067 7.238) 8.836 3.480 ( 0.000 -5.061 -3.189) 5.982 3.480 ( 0.000 5.061 -3.189) 5.982 3.803 ( 0.000 -3.382 3.394) 4.791 3.803 ( 0.000 3.382 3.394) 4.791 3.935 ( 0.000 -3.969 0.251) 3.977 3.935 ( 0.000 3.969 0.251) 3.977 4.000 ( 0.000 -4.358 7.789) 8.925 4.000 ( 0.000 4.358 7.789) 8.925 4.188 ( 0.000 -3.853 -8.367) 9.211 4.188 ( 0.000 3.853 -8.367) 9.211 4.409 ( 0.000 -2.519 3.100) 3.994 4.409 ( 0.000 2.519 3.100) 3.994 4.704 ( 0.000 -1.571 3.971) 4.271 4.704 ( 0.000 1.571 3.971) 4.271 4.740 ( 0.000 -2.302 -4.021) 4.634 4.740 ( 0.000 2.302 -4.021) 4.634 4.838 ( 0.000 -3.850 -2.474) 4.576 4.838 ( 0.000 3.850 -2.474) 4.576 5.279 ( 0.000 -9.561 10.286) 14.043 5.279 ( 0.000 9.561 10.286) 14.043 5.473 ( 0.000 -1.227 5.086) 5.232 5.473 ( 0.000 1.227 5.086) 5.232 5.667 ( 0.000 -0.302 3.403) 3.416 5.667 ( 0.000 0.302 3.403) 3.416 5.736 ( 0.000 -1.466 -3.784) 4.058 5.736 ( 0.000 1.466 -3.784) 4.058 5.753 ( 0.000 -3.113 0.404) 3.139 5.753 ( 0.000 3.113 0.404) 3.139 5.885 ( 0.000 -1.331 -2.426) 2.767 5.885 ( 0.000 1.331 -2.426) 2.767 6.149 ( 0.000 -1.269 1.615) 2.054 6.149 ( 0.000 1.269 1.615) 2.054 6.224 ( 0.000 -3.633 -3.697) 5.183 6.224 ( 0.000 3.633 -3.697) 5.183 6.387 ( 0.000 -8.871 2.168) 9.132 6.387 ( 0.000 8.871 2.168) 9.132 6.618 ( 0.000 -3.599 -1.593) 3.936 6.618 ( 0.000 3.599 -1.593) 3.936 7.129 ( 0.000 -7.947 -17.368) 19.100 7.129 ( 0.000 7.947 -17.368) 19.100 14.406 ( 0.000 -0.330 -1.284) 1.326 14.406 ( 0.000 0.330 -1.284) 1.326 14.491 ( 0.000 -1.701 -1.064) 2.006 14.491 ( 0.000 1.701 -1.064) 2.006 14.727 ( 0.000 -0.033 -0.083) 0.089 14.727 ( 0.000 0.033 -0.083) 0.089 14.896 ( 0.000 -0.224 -0.568) 0.610 14.896 ( 0.000 0.224 -0.568) 0.610 17.917 ( 0.000 -0.205 0.297) 0.361 17.917 ( 0.000 0.205 0.297) 0.361 17.960 ( 0.000 -1.075 0.838) 1.364 17.960 ( 0.000 1.075 0.838) 1.364 18.102 ( 0.000 -0.297 0.438) 0.529 18.102 ( 0.000 0.297 0.438) 0.529 18.287 ( 0.000 -0.820 -0.179) 0.839 18.287 ( 0.000 0.820 -0.179) 0.839 18.565 ( 0.000 -0.936 0.824) 1.247 18.565 ( 0.000 0.936 0.824) 1.247 18.603 ( 0.000 -0.200 0.620) 0.652 18.603 ( 0.000 0.200 0.620) 0.652 24.814 ( 0.000 -0.018 0.273) 0.274 24.814 ( 0.000 0.018 0.273) 0.274 24.853 ( 0.000 -0.132 0.354) 0.378 24.853 ( 0.000 0.132 0.354) 0.378 25.758 ( 0.000 -0.408 -1.393) 1.452 25.758 ( 0.000 0.408 -1.393) 1.452 26.000 ( 0.000 -6.127 -4.090) 7.366 26.000 ( 0.000 6.127 -4.090) 7.366 26.298 ( 0.000 -0.578 7.429) 7.452 26.298 ( 0.000 0.578 7.429) 7.452 26.627 ( 0.000 -2.539 5.544) 6.098 26.627 ( 0.000 2.539 5.544) 6.098 26.975 ( 0.000 -1.643 -14.624) 14.716 26.975 ( 0.000 1.643 -14.624) 14.716 27.717 ( 0.000 -3.850 -0.593) 3.896 27.717 ( 0.000 3.850 -0.593) 3.896 ======================= Grid point 122 (47/60) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 4.750 -6.593 1.721) 8.306 1.689 ( 4.750 6.593 1.721) 8.306 1.892 ( 0.477 -2.838 5.628) 6.322 1.892 ( 0.477 2.838 5.628) 6.322 2.166 ( 1.118 -7.108 -0.757) 7.235 2.166 ( 1.118 7.108 -0.757) 7.235 2.386 ( -3.508 -7.185 1.808) 8.197 2.386 ( -3.508 7.185 1.808) 8.197 2.441 ( 0.399 -1.877 5.659) 5.975 2.441 ( 0.399 1.877 5.659) 5.975 2.630 ( 2.354 -1.554 0.650) 2.895 2.630 ( 2.354 1.554 0.650) 2.895 2.871 ( 0.480 -5.914 -3.762) 7.025 2.871 ( 0.480 5.914 -3.762) 7.025 3.010 ( 2.528 -3.134 -3.854) 5.573 3.010 ( 2.528 3.134 -3.854) 5.573 3.215 ( -3.580 -0.279 -4.031) 5.398 3.215 ( -3.580 0.279 -4.031) 5.398 3.363 ( -1.484 -3.400 2.953) 4.741 3.363 ( -1.484 3.400 2.953) 4.741 3.530 ( 0.784 -0.581 4.502) 4.606 3.530 ( 0.784 0.581 4.502) 4.606 3.742 ( -5.720 -1.245 0.794) 5.908 3.742 ( -5.720 1.245 0.794) 5.908 3.843 ( 0.370 -1.380 -1.781) 2.283 3.843 ( 0.370 1.380 -1.781) 2.283 4.083 ( 3.935 -5.554 4.447) 8.131 4.083 ( 3.935 5.554 4.447) 8.131 4.305 ( 8.429 -3.027 -1.785) 9.132 4.305 ( 8.429 3.027 -1.785) 9.132 4.441 ( 3.095 -1.064 2.543) 4.145 4.441 ( 3.095 1.064 2.543) 4.145 4.673 ( -2.909 -1.729 2.106) 3.985 4.673 ( -2.909 1.729 2.106) 3.985 4.725 ( -1.180 -3.515 -4.067) 5.503 4.725 ( -1.180 3.515 -4.067) 5.503 4.831 ( -0.393 -2.471 0.216) 2.512 4.831 ( -0.393 2.471 0.216) 2.512 5.211 ( -8.485 -4.956 8.292) 12.857 5.211 ( -8.485 4.956 8.292) 12.857 5.425 ( -3.016 -0.330 6.276) 6.971 5.425 ( -3.016 0.330 6.276) 6.971 5.609 ( -5.680 -6.057 2.406) 8.646 5.609 ( -5.680 6.057 2.406) 8.646 5.727 ( 3.080 -1.100 1.472) 3.586 5.727 ( 3.080 1.100 1.472) 3.586 5.795 ( 2.967 -2.124 0.790) 3.734 5.795 ( 2.967 2.124 0.790) 3.734 5.941 ( 3.112 -2.258 -3.191) 4.996 5.941 ( 3.112 2.258 -3.191) 4.996 6.154 ( -0.280 -0.724 1.070) 1.322 6.154 ( -0.280 0.724 1.070) 1.322 6.290 ( 4.868 -6.334 -3.270) 8.632 6.290 ( 4.868 6.334 -3.270) 8.632 6.386 ( 0.834 -8.641 -0.427) 8.692 6.386 ( 0.834 8.641 -0.427) 8.692 6.638 ( 2.879 -2.663 -2.920) 4.890 6.638 ( 2.879 2.663 -2.920) 4.890 7.076 ( -5.643 -6.914 -16.545) 18.798 7.076 ( -5.643 6.914 -16.545) 18.798 14.414 ( 0.820 -0.586 -1.273) 1.624 14.414 ( 0.820 0.586 -1.273) 1.624 14.483 ( -0.896 -1.618 -1.097) 2.151 14.483 ( -0.896 1.618 -1.097) 2.151 14.745 ( 1.843 -0.082 -0.200) 1.856 14.745 ( 1.843 0.082 -0.200) 1.856 14.881 ( -1.582 -0.219 -0.577) 1.699 14.881 ( -1.582 0.219 -0.577) 1.699 17.918 ( 0.215 -0.808 0.487) 0.967 17.918 ( 0.215 0.808 0.487) 0.967 17.954 ( -0.603 -1.544 0.795) 1.838 17.954 ( -0.603 1.544 0.795) 1.838 18.119 ( 1.781 -0.554 0.404) 1.909 18.119 ( 1.781 0.554 0.404) 1.909 18.269 ( -1.902 -0.878 -0.009) 2.095 18.269 ( -1.902 0.878 -0.009) 2.095 18.568 ( 0.275 -0.840 0.750) 1.159 18.568 ( 0.275 0.840 0.750) 1.159 18.598 ( -0.499 -0.302 0.528) 0.787 18.598 ( -0.499 0.302 0.528) 0.787 24.816 ( 0.291 -0.032 0.278) 0.404 24.816 ( 0.291 0.032 0.278) 0.404 24.848 ( -0.530 -0.109 0.377) 0.660 24.848 ( -0.530 0.109 0.377) 0.660 25.795 ( 3.599 -0.695 -1.134) 3.837 25.795 ( 3.599 0.695 -1.134) 3.837 25.988 ( -1.519 -4.747 -3.077) 5.858 25.988 ( -1.519 4.747 -3.077) 5.858 26.310 ( 1.829 -3.218 5.293) 6.459 26.310 ( 1.829 3.218 5.293) 6.459 26.592 ( -3.837 -6.745 2.948) 8.301 26.592 ( -3.837 6.745 2.948) 8.301 27.051 ( 7.929 -3.854 -10.744) 13.898 27.051 ( 7.929 3.854 -10.744) 13.898 27.648 ( -7.288 -3.579 -1.027) 8.184 27.648 ( -7.288 3.579 -1.027) 8.184 ======================= Grid point 124 (48/60) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 6.216 -5.805 0.893) 8.552 1.797 ( 6.216 5.805 0.893) 8.552 1.884 ( -2.407 -6.148 2.643) 7.112 1.884 ( -2.407 6.148 2.643) 7.112 2.175 ( 1.638 -9.248 3.897) 10.168 2.175 ( 1.638 9.248 3.897) 10.168 2.259 ( -6.904 -11.212 7.186) 15.000 2.259 ( -6.904 11.212 7.186) 15.000 2.550 ( 8.107 -5.037 3.772) 10.263 2.550 ( 8.107 5.037 3.772) 10.263 2.665 ( -1.947 -3.613 3.407) 5.334 2.665 ( -1.947 3.613 3.407) 5.334 2.880 ( 3.131 -6.089 -10.662) 12.671 2.880 ( 3.131 6.089 -10.662) 12.671 2.984 ( -5.620 -5.534 -6.853) 10.449 2.984 ( -5.620 5.534 -6.853) 10.449 3.219 ( 3.726 -0.596 -3.153) 4.917 3.219 ( 3.726 0.596 -3.153) 4.917 3.302 ( -4.649 -1.100 -0.943) 4.869 3.302 ( -4.649 1.100 -0.943) 4.869 3.540 ( 2.387 -5.522 4.653) 7.605 3.540 ( 2.387 5.522 4.653) 7.605 3.620 ( -5.924 -5.875 1.977) 8.574 3.620 ( -5.924 5.875 1.977) 8.574 3.975 ( 9.091 -3.390 -0.237) 9.706 3.975 ( 9.091 3.390 -0.237) 9.706 4.092 ( -3.050 -5.140 1.439) 6.148 4.092 ( -3.050 5.140 1.439) 6.148 4.439 ( 5.783 -3.965 5.054) 8.643 4.439 ( 5.783 3.965 5.054) 8.643 4.490 ( 0.986 -0.523 -1.245) 1.672 4.490 ( 0.986 0.523 -1.245) 1.672 4.631 ( -0.684 -1.150 0.917) 1.623 4.631 ( -0.684 1.150 0.917) 1.623 4.674 ( -4.216 -0.403 -3.398) 5.430 4.674 ( -4.216 0.403 -3.398) 5.430 4.869 ( 5.056 -3.493 4.784) 7.787 4.869 ( 5.056 3.493 4.784) 7.787 5.013 ( -10.565 -4.463 7.025) 13.449 5.013 ( -10.565 4.463 7.025) 13.449 5.419 ( 2.416 -3.938 5.680) 7.322 5.419 ( 2.416 3.938 5.680) 7.322 5.500 ( -5.793 -6.448 3.722) 9.433 5.500 ( -5.793 6.448 3.722) 9.433 5.805 ( 3.786 -1.897 3.233) 5.328 5.805 ( 3.786 1.897 3.233) 5.328 5.835 ( 0.644 -1.864 1.785) 2.660 5.835 ( 0.644 1.864 1.785) 2.660 6.001 ( 4.524 -4.193 -2.096) 6.514 6.001 ( 4.524 4.193 -2.096) 6.514 6.103 ( -5.290 -3.352 0.446) 6.279 6.103 ( -5.290 3.352 0.446) 6.279 6.357 ( 3.274 -5.780 -1.423) 6.794 6.357 ( 3.274 5.780 -1.423) 6.794 6.402 ( -0.824 -7.103 -3.019) 7.762 6.402 ( -0.824 7.103 -3.019) 7.762 6.753 ( 9.262 -1.413 -8.846) 12.886 6.753 ( 9.262 1.413 -8.846) 12.886 6.933 ( -9.450 -4.441 -13.912) 17.394 6.933 ( -9.450 4.441 -13.912) 17.394 14.435 ( 1.364 -1.005 -1.237) 2.098 14.435 ( 1.364 1.005 -1.237) 2.098 14.461 ( -1.411 -1.376 -1.170) 2.292 14.461 ( -1.411 1.376 -1.170) 2.292 14.789 ( 2.826 -0.143 -0.423) 2.861 14.789 ( 2.826 0.143 -0.423) 2.861 14.841 ( -2.667 -0.193 -0.557) 2.731 14.841 ( -2.667 0.193 -0.557) 2.731 17.926 ( 0.596 -1.505 0.727) 1.774 17.926 ( 0.596 1.505 0.727) 1.774 17.940 ( -0.871 -1.825 0.780) 2.168 17.940 ( -0.871 1.825 0.780) 2.168 18.164 ( 3.014 -0.862 0.357) 3.155 18.164 ( 3.014 0.862 0.357) 3.155 18.222 ( -3.062 -0.950 0.253) 3.216 18.222 ( -3.062 0.950 0.253) 3.216 18.575 ( 0.550 -0.665 0.568) 1.033 18.575 ( 0.550 0.665 0.568) 1.033 18.587 ( -0.672 -0.492 0.452) 0.948 18.587 ( -0.672 0.492 0.452) 0.948 24.824 ( 0.560 -0.055 0.319) 0.646 24.824 ( 0.560 0.055 0.319) 0.646 24.836 ( -0.693 -0.075 0.375) 0.792 24.836 ( -0.693 0.075 0.375) 0.792 25.872 ( 4.334 -1.074 -0.754) 4.528 25.872 ( 4.334 1.074 -0.754) 4.528 25.943 ( -3.289 -2.330 -1.316) 4.241 25.943 ( -3.289 2.330 -1.316) 4.241 26.378 ( 5.477 -5.718 1.748) 8.108 26.378 ( 5.477 5.718 1.748) 8.108 26.493 ( -6.470 -7.000 0.690) 9.557 26.493 ( -6.470 7.000 0.690) 9.557 27.242 ( 12.133 -3.445 -5.590) 13.796 27.242 ( 12.133 3.445 -5.590) 13.796 27.468 ( -11.764 -3.199 -2.531) 12.451 27.468 ( -11.764 3.199 -2.531) 12.451 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.000 0.000 4.883) 4.883 1.715 ( 0.000 0.000 -6.003) 6.003 1.903 ( 0.000 0.000 5.791) 5.791 1.910 ( 0.000 0.000 9.488) 9.488 1.960 ( 0.000 0.000 3.153) 3.153 2.043 ( 0.000 0.000 14.926) 14.926 2.108 ( 0.000 0.000 -9.769) 9.769 2.248 ( 0.000 0.000 -6.534) 6.534 2.344 ( 0.000 0.000 -0.888) 0.888 2.459 ( 0.000 0.000 -9.953) 9.953 2.751 ( 0.000 0.000 6.246) 6.246 2.835 ( 0.000 0.000 2.367) 2.367 3.014 ( 0.000 0.000 4.645) 4.645 3.034 ( 0.000 0.000 2.314) 2.314 3.126 ( 0.000 0.000 -0.320) 0.320 3.142 ( 0.000 0.000 -1.633) 1.633 3.271 ( 0.000 0.000 -0.257) 0.257 3.299 ( 0.000 0.000 -2.359) 2.359 3.424 ( 0.000 0.000 5.514) 5.514 3.484 ( 0.000 0.000 -0.953) 0.953 3.544 ( 0.000 0.000 6.854) 6.854 3.681 ( 0.000 0.000 5.333) 5.333 3.702 ( 0.000 0.000 -7.449) 7.449 3.715 ( 0.000 0.000 6.331) 6.331 3.870 ( 0.000 0.000 -12.484) 12.484 3.901 ( 0.000 0.000 -8.462) 8.462 4.075 ( 0.000 0.000 8.958) 8.958 4.147 ( 0.000 0.000 5.454) 5.454 4.170 ( 0.000 0.000 3.922) 3.922 4.189 ( 0.000 0.000 -1.212) 1.212 4.197 ( 0.000 0.000 -2.031) 2.031 4.255 ( 0.000 0.000 -9.332) 9.332 4.470 ( 0.000 0.000 1.984) 1.984 4.523 ( 0.000 0.000 -0.651) 0.651 4.581 ( 0.000 0.000 -3.349) 3.349 4.591 ( 0.000 0.000 -5.182) 5.182 4.735 ( 0.000 0.000 0.958) 0.958 4.775 ( 0.000 0.000 -2.600) 2.600 5.336 ( 0.000 0.000 4.299) 4.299 5.369 ( 0.000 0.000 0.296) 0.296 5.500 ( 0.000 0.000 11.023) 11.023 5.569 ( 0.000 0.000 4.523) 4.523 5.584 ( 0.000 0.000 0.100) 0.100 5.591 ( 0.000 0.000 -0.587) 0.587 5.664 ( 0.000 0.000 -5.321) 5.321 5.671 ( 0.000 0.000 -1.579) 1.579 5.817 ( 0.000 0.000 -0.314) 0.314 5.821 ( 0.000 0.000 -0.732) 0.732 5.943 ( 0.000 0.000 1.846) 1.846 6.038 ( 0.000 0.000 -5.204) 5.204 6.128 ( 0.000 0.000 3.650) 3.650 6.158 ( 0.000 0.000 0.002) 0.002 6.269 ( 0.000 0.000 5.922) 5.922 6.387 ( 0.000 0.000 -6.074) 6.074 6.438 ( 0.000 0.000 2.883) 2.883 6.497 ( 0.000 0.000 4.291) 4.291 6.548 ( 0.000 0.000 -7.951) 7.951 6.576 ( 0.000 0.000 -3.725) 3.725 6.901 ( 0.000 0.000 9.888) 9.888 7.168 ( 0.000 0.000 -16.252) 16.252 14.381 ( 0.000 0.000 -0.333) 0.333 14.385 ( 0.000 0.000 -0.701) 0.701 14.491 ( 0.000 0.000 0.915) 0.915 14.518 ( 0.000 0.000 -1.926) 1.926 14.724 ( 0.000 0.000 0.007) 0.007 14.725 ( 0.000 0.000 -0.080) 0.080 14.875 ( 0.000 0.000 0.229) 0.229 14.880 ( 0.000 0.000 -0.269) 0.269 17.859 ( 0.000 0.000 0.757) 0.757 17.870 ( 0.000 0.000 -0.345) 0.345 18.011 ( 0.000 0.000 1.902) 1.902 18.051 ( 0.000 0.000 -2.213) 2.213 18.192 ( 0.000 0.000 0.786) 0.786 18.201 ( 0.000 0.000 -0.142) 0.142 18.377 ( 0.000 0.000 2.216) 2.216 18.412 ( 0.000 0.000 -1.291) 1.291 18.430 ( 0.000 0.000 0.550) 0.550 18.433 ( 0.000 0.000 0.244) 0.244 18.478 ( 0.000 0.000 1.394) 1.394 18.513 ( 0.000 0.000 -2.360) 2.360 24.815 ( 0.000 0.000 0.164) 0.164 24.815 ( 0.000 0.000 0.138) 0.138 24.860 ( 0.000 0.000 0.193) 0.193 24.862 ( 0.000 0.000 -0.029) 0.029 25.948 ( 0.000 0.000 1.386) 1.386 25.994 ( 0.000 0.000 -3.375) 3.375 26.007 ( 0.000 0.000 1.950) 1.950 26.027 ( 0.000 0.000 0.072) 0.072 26.275 ( 0.000 0.000 1.515) 1.515 26.340 ( 0.000 0.000 -4.782) 4.782 26.421 ( 0.000 0.000 5.296) 5.296 26.560 ( 0.000 0.000 -8.925) 8.925 26.894 ( 0.000 0.000 4.961) 4.961 26.964 ( 0.000 0.000 -2.522) 2.522 27.717 ( 0.000 0.000 4.324) 4.324 27.801 ( 0.000 0.000 -4.110) 4.110 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 2.459 0.000 4.928) 5.508 1.747 ( 3.202 0.000 -6.148) 6.932 1.834 ( -5.859 0.000 13.287) 14.521 1.856 ( -3.708 0.000 5.839) 6.917 1.967 ( -0.855 0.000 -2.441) 2.586 1.987 ( -6.301 0.000 11.801) 13.378 2.134 ( 2.776 0.000 -8.864) 9.289 2.252 ( 1.321 0.000 -5.636) 5.789 2.344 ( 2.281 0.000 6.198) 6.605 2.545 ( 7.088 0.000 -11.807) 13.772 2.801 ( 4.003 0.000 0.672) 4.059 2.885 ( 0.961 0.000 -5.385) 5.470 2.898 ( -9.379 0.000 8.577) 12.710 3.008 ( -5.806 0.000 4.028) 7.066 3.019 ( -3.671 0.000 -2.859) 4.653 3.107 ( -3.959 0.000 -5.299) 6.614 3.256 ( -1.153 0.000 0.735) 1.367 3.283 ( -1.830 0.000 -2.892) 3.423 3.440 ( 1.874 0.000 5.247) 5.571 3.493 ( 0.706 0.000 -1.398) 1.566 3.626 ( 2.153 0.000 8.095) 8.376 3.691 ( 1.297 0.000 7.124) 7.241 3.704 ( 9.592 0.000 4.702) 10.683 3.868 ( 5.711 0.000 1.771) 5.979 3.893 ( 2.220 0.000 -10.974) 11.196 3.981 ( 9.428 0.000 -5.085) 10.711 4.041 ( -7.207 0.000 9.528) 11.946 4.120 ( 1.555 0.000 5.939) 6.139 4.131 ( -1.593 0.000 3.226) 3.598 4.218 ( 3.993 0.000 -2.310) 4.613 4.246 ( 5.776 0.000 -7.466) 9.439 4.304 ( 5.038 0.000 -7.857) 9.333 4.492 ( 0.482 0.000 2.867) 2.907 4.522 ( 0.344 0.000 0.297) 0.454 4.551 ( -2.012 0.000 -1.492) 2.505 4.596 ( -0.984 0.000 -5.000) 5.096 4.749 ( -0.182 0.000 1.617) 1.627 4.790 ( 1.233 0.000 -2.900) 3.151 5.228 ( -15.026 0.000 8.084) 17.062 5.292 ( -4.509 0.000 -0.022) 4.509 5.380 ( -4.381 0.000 4.173) 6.051 5.496 ( -8.280 0.000 -3.164) 8.864 5.594 ( 0.991 0.000 0.147) 1.002 5.596 ( -5.525 0.000 -0.025) 5.525 5.601 ( 0.907 0.000 -0.490) 1.030 5.658 ( -4.599 0.000 -4.779) 6.632 5.809 ( -0.686 0.000 -0.210) 0.718 5.816 ( -0.583 0.000 -0.943) 1.109 6.041 ( 10.739 0.000 7.599) 13.155 6.146 ( 3.972 0.000 -0.868) 4.066 6.167 ( 2.539 0.000 2.984) 3.918 6.199 ( 9.606 0.000 -0.235) 9.609 6.280 ( 1.208 0.000 5.554) 5.683 6.379 ( -0.920 0.000 -3.757) 3.868 6.497 ( 0.189 0.000 2.389) 2.397 6.501 ( 4.535 0.000 -0.521) 4.565 6.564 ( -1.182 0.000 -3.665) 3.851 6.575 ( 3.227 0.000 -8.097) 8.716 6.858 ( -4.401 0.000 8.563) 9.628 7.099 ( -7.148 0.000 -14.963) 16.583 14.385 ( 0.526 0.000 0.104) 0.537 14.396 ( 0.971 0.000 -1.050) 1.430 14.479 ( -1.120 0.000 0.885) 1.427 14.506 ( -1.210 0.000 -1.921) 2.270 14.737 ( 1.403 0.000 0.043) 1.403 14.739 ( 1.476 0.000 -0.129) 1.482 14.861 ( -1.400 0.000 0.235) 1.420 14.866 ( -1.404 0.000 -0.271) 1.430 17.857 ( -0.120 0.000 0.642) 0.653 17.866 ( -0.386 0.000 -0.169) 0.422 18.030 ( 1.864 0.000 1.688) 2.515 18.065 ( 1.312 0.000 -1.917) 2.323 18.192 ( 0.064 0.000 0.699) 0.702 18.200 ( -0.127 0.000 -0.051) 0.137 18.355 ( -1.953 0.000 2.119) 2.882 18.389 ( -2.282 0.000 -1.295) 2.624 18.431 ( 0.060 0.000 0.518) 0.521 18.433 ( -0.002 0.000 0.272) 0.272 18.489 ( 1.029 0.000 0.982) 1.422 18.519 ( 0.347 0.000 -2.072) 2.101 24.817 ( 0.280 0.000 0.192) 0.340 24.818 ( 0.329 0.000 0.097) 0.343 24.855 ( -0.509 0.000 0.216) 0.553 24.857 ( -0.520 0.000 0.018) 0.520 25.956 ( 0.808 0.000 1.279) 1.513 25.995 ( 0.006 0.000 -2.641) 2.641 26.036 ( 3.259 0.000 2.426) 4.063 26.072 ( 4.401 0.000 -1.080) 4.532 26.259 ( -1.879 0.000 1.741) 2.561 26.324 ( -1.896 0.000 -4.593) 4.969 26.429 ( 0.910 0.000 3.655) 3.767 26.543 ( -1.797 0.000 -7.898) 8.099 26.904 ( 1.093 0.000 4.778) 4.902 26.965 ( -0.057 0.000 -1.599) 1.600 27.706 ( -0.993 0.000 3.255) 3.403 27.775 ( -2.599 0.000 -3.632) 4.466 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 3.899 0.000 5.384) 6.648 1.772 ( -3.577 0.000 5.589) 6.635 1.775 ( 0.390 0.000 15.884) 15.889 1.834 ( 4.172 0.000 -7.409) 8.503 1.850 ( -7.042 0.000 13.309) 15.057 1.917 ( -4.167 0.000 -7.499) 8.579 2.208 ( 4.716 0.000 -9.697) 10.782 2.269 ( -0.946 0.000 -9.548) 9.595 2.449 ( 8.604 0.000 11.553) 14.405 2.612 ( -5.423 0.000 1.749) 5.698 2.782 ( 2.696 0.000 -1.718) 3.197 2.817 ( -1.063 0.000 -4.490) 4.614 2.846 ( -2.695 0.000 -8.250) 8.679 2.909 ( -7.679 0.000 -8.075) 11.143 2.990 ( 2.535 0.000 2.013) 3.237 3.051 ( -2.953 0.000 -4.008) 4.978 3.242 ( -0.142 0.000 0.381) 0.407 3.252 ( -1.200 0.000 -0.878) 1.487 3.475 ( 1.694 0.000 2.041) 2.653 3.498 ( -0.528 0.000 -0.669) 0.852 3.685 ( 3.730 0.000 6.836) 7.787 3.748 ( 5.256 0.000 10.700) 11.921 3.756 ( -3.225 0.000 -1.264) 3.464 3.869 ( -6.802 0.000 9.010) 11.289 3.986 ( 3.483 0.000 -6.644) 7.502 4.030 ( 11.202 0.000 9.955) 14.986 4.072 ( -4.842 0.000 -4.538) 6.636 4.119 ( 3.775 0.000 2.522) 4.540 4.224 ( 7.243 0.000 7.919) 10.732 4.325 ( -1.999 0.000 -0.165) 2.006 4.348 ( 7.659 0.000 -0.561) 7.679 4.402 ( 3.909 0.000 -4.812) 6.199 4.507 ( -2.235 0.000 -0.985) 2.442 4.513 ( 6.067 0.000 3.744) 7.129 4.545 ( -4.242 0.000 -4.122) 5.914 4.587 ( 6.978 0.000 -3.791) 7.942 4.713 ( -3.290 0.000 1.960) 3.830 4.742 ( -9.112 0.000 3.427) 9.735 4.990 ( -4.268 0.000 0.384) 4.285 5.122 ( -13.250 0.000 -8.386) 15.681 5.380 ( 2.691 0.000 0.332) 2.711 5.402 ( 0.258 0.000 -1.612) 1.633 5.499 ( -3.831 0.000 0.838) 3.921 5.545 ( -6.570 0.000 -3.223) 7.318 5.613 ( 0.814 0.000 0.130) 0.824 5.616 ( 0.500 0.000 -0.183) 0.532 5.799 ( -0.245 0.000 -0.447) 0.509 5.803 ( -0.658 0.000 -0.907) 1.121 6.185 ( 3.000 0.000 2.425) 3.857 6.200 ( 1.427 0.000 1.979) 2.439 6.269 ( 8.604 0.000 11.251) 14.164 6.311 ( 2.105 0.000 4.148) 4.652 6.350 ( 2.631 0.000 6.416) 6.934 6.351 ( -2.025 0.000 0.978) 2.249 6.509 ( 1.165 0.000 -1.272) 1.725 6.536 ( -1.678 0.000 -3.177) 3.593 6.561 ( 4.444 0.000 -6.106) 7.553 6.647 ( 0.087 0.000 -14.069) 14.069 6.791 ( 1.249 0.000 4.210) 4.391 6.930 ( -10.244 0.000 -10.542) 14.699 14.400 ( 1.046 0.000 0.425) 1.129 14.412 ( 0.252 0.000 -0.569) 0.622 14.462 ( -0.215 0.000 -0.089) 0.233 14.479 ( -1.588 0.000 -1.661) 2.298 14.770 ( 1.885 0.000 0.071) 1.886 14.773 ( 1.831 0.000 -0.195) 1.841 14.829 ( -1.741 0.000 0.194) 1.752 14.833 ( -1.929 0.000 -0.204) 1.939 17.856 ( -0.014 0.000 0.407) 0.407 17.858 ( -0.317 0.000 0.138) 0.346 18.069 ( 1.946 0.000 0.919) 2.152 18.085 ( 0.369 0.000 -0.714) 0.803 18.194 ( 0.134 0.000 0.470) 0.489 18.197 ( -0.173 0.000 0.184) 0.253 18.327 ( -0.517 0.000 1.083) 1.200 18.344 ( -2.161 0.000 -0.560) 2.232 18.432 ( 0.068 0.000 0.437) 0.442 18.433 ( -0.032 0.000 0.344) 0.346 18.508 ( 0.901 0.000 -0.133) 0.911 18.519 ( -0.322 0.000 -1.289) 1.328 24.825 ( 0.470 0.000 0.219) 0.518 24.826 ( 0.418 0.000 0.082) 0.426 24.844 ( -0.536 0.000 0.229) 0.583 24.846 ( -0.602 0.000 0.073) 0.606 25.975 ( 1.063 0.000 0.649) 1.245 25.990 ( -0.567 0.000 -0.880) 1.047 26.116 ( 4.988 0.000 2.431) 5.549 26.168 ( 5.203 0.000 -2.832) 5.924 26.206 ( -3.549 0.000 2.330) 4.245 26.267 ( -4.350 0.000 -3.786) 5.767 26.456 ( 2.062 0.000 -0.460) 2.112 26.501 ( -2.601 0.000 -4.892) 5.541 26.931 ( 1.717 0.000 3.591) 3.981 26.957 ( -0.924 0.000 0.949) 1.324 27.695 ( 0.285 0.000 0.565) 0.633 27.723 ( -2.568 0.000 -2.113) 3.326 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.000 0.758 4.624) 4.686 1.709 ( 0.000 -0.587 -5.220) 5.253 1.928 ( 0.000 2.708 6.543) 7.081 1.963 ( 0.000 0.244 5.031) 5.037 1.991 ( 0.000 7.315 9.442) 11.944 2.083 ( 0.000 3.160 11.140) 11.579 2.135 ( 0.000 1.021 -2.879) 3.055 2.267 ( 0.000 4.026 -10.328) 11.085 2.377 ( 0.000 1.878 -5.090) 5.426 2.436 ( 0.000 -2.584 -9.923) 10.254 2.762 ( 0.000 0.245 4.242) 4.249 2.774 ( 0.000 -4.365 4.578) 6.325 2.975 ( 0.000 -3.038 5.003) 5.854 3.007 ( 0.000 -3.684 0.642) 3.739 3.126 ( 0.000 -0.339 1.122) 1.172 3.128 ( 0.000 2.068 2.438) 3.198 3.285 ( 0.000 0.396 -1.551) 1.601 3.317 ( 0.000 -2.974 -2.584) 3.939 3.408 ( 0.000 -1.793 3.640) 4.057 3.454 ( 0.000 -2.715 0.972) 2.883 3.511 ( 0.000 -2.376 -0.690) 2.474 3.626 ( 0.000 -10.845 -12.589) 16.616 3.676 ( 0.000 2.426 4.635) 5.232 3.746 ( 0.000 3.969 9.616) 10.403 3.786 ( 0.000 0.731 -5.171) 5.222 3.947 ( 0.000 4.111 -8.344) 9.302 4.059 ( 0.000 -1.699 7.561) 7.750 4.134 ( 0.000 -0.364 4.924) 4.937 4.139 ( 0.000 -2.475 3.562) 4.337 4.223 ( 0.000 -2.543 -7.802) 8.206 4.286 ( 0.000 7.093 2.252) 7.442 4.325 ( 0.000 6.918 -1.232) 7.027 4.506 ( 0.000 3.430 0.484) 3.464 4.565 ( 0.000 3.142 -2.766) 4.186 4.598 ( 0.000 1.647 -1.978) 2.574 4.622 ( 0.000 2.242 -4.397) 4.936 4.764 ( 0.000 2.635 1.345) 2.958 4.801 ( 0.000 2.177 -2.335) 3.193 5.305 ( 0.000 -2.003 5.335) 5.699 5.374 ( 0.000 0.680 -1.616) 1.753 5.544 ( 0.000 4.061 7.251) 8.310 5.567 ( 0.000 0.613 5.811) 5.843 5.598 ( 0.000 1.870 1.725) 2.544 5.655 ( 0.000 4.582 0.850) 4.660 5.657 ( 0.000 -0.329 -4.300) 4.312 5.715 ( 0.000 2.839 0.598) 2.902 5.807 ( 0.000 -1.105 -0.539) 1.229 5.821 ( 0.000 -1.938 -0.213) 1.950 5.878 ( 0.000 -3.021 -1.554) 3.398 5.974 ( 0.000 -5.501 -6.424) 8.457 6.114 ( 0.000 -0.201 4.403) 4.408 6.155 ( 0.000 -0.162 -0.498) 0.524 6.322 ( 0.000 0.372 -0.590) 0.697 6.345 ( 0.000 -4.958 -3.061) 5.827 6.372 ( 0.000 -0.906 4.235) 4.331 6.478 ( 0.000 -0.441 -5.536) 5.554 6.556 ( 0.000 2.303 10.213) 10.469 6.692 ( 0.000 5.205 -4.391) 6.810 6.846 ( 0.000 -4.166 4.600) 6.206 7.073 ( 0.000 -8.507 -16.944) 18.960 14.382 ( 0.000 0.086 -0.312) 0.323 14.387 ( 0.000 0.125 -0.745) 0.756 14.483 ( 0.000 -0.584 1.018) 1.173 14.511 ( 0.000 -0.644 -1.849) 1.958 14.724 ( 0.000 0.045 0.002) 0.045 14.725 ( 0.000 0.035 -0.074) 0.081 14.878 ( 0.000 0.279 0.168) 0.325 14.882 ( 0.000 0.237 -0.293) 0.377 17.869 ( 0.000 0.960 0.665) 1.168 17.878 ( 0.000 0.827 -0.284) 0.875 18.006 ( 0.000 -0.557 1.657) 1.748 18.038 ( 0.000 -1.249 -1.680) 2.093 18.158 ( 0.000 -2.341 1.022) 2.554 18.171 ( 0.000 -2.336 -0.277) 2.353 18.337 ( 0.000 -2.471 0.912) 2.634 18.353 ( 0.000 -2.850 -0.806) 2.961 18.479 ( 0.000 3.408 1.619) 3.773 18.498 ( 0.000 3.392 -0.160) 3.396 18.525 ( 0.000 3.390 0.548) 3.434 18.545 ( 0.000 2.437 -1.608) 2.920 24.815 ( 0.000 0.037 0.155) 0.160 24.816 ( 0.000 0.043 0.118) 0.126 24.859 ( 0.000 -0.075 0.197) 0.211 24.861 ( 0.000 -0.084 -0.016) 0.085 25.869 ( 0.000 -5.419 -0.615) 5.454 25.871 ( 0.000 -5.669 -0.682) 5.710 26.014 ( 0.000 -2.337 4.342) 4.931 26.097 ( 0.000 1.556 -3.724) 4.036 26.300 ( 0.000 2.614 4.690) 5.369 26.353 ( 0.000 1.292 -1.020) 1.646 26.491 ( 0.000 5.786 -2.179) 6.182 26.529 ( 0.000 -0.912 -6.065) 6.133 26.905 ( 0.000 -0.101 1.865) 1.868 26.936 ( 0.000 -3.046 -1.348) 3.331 27.701 ( 0.000 -1.128 4.064) 4.218 27.782 ( 0.000 -1.605 -4.029) 4.337 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.20 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 1.525 0.343 5.089) 5.323 1.740 ( 3.069 -0.550 -5.987) 6.751 1.873 ( -4.945 2.428 7.424) 9.245 1.913 ( -3.978 5.172 6.206) 9.005 1.988 ( -0.463 4.533 6.680) 8.086 2.079 ( -1.588 5.229 9.706) 11.138 2.181 ( 3.836 3.419 -5.573) 7.580 2.236 ( -0.628 1.653 -6.443) 6.681 2.387 ( 2.700 2.344 -1.338) 3.818 2.514 ( 6.662 -3.343 -11.598) 13.787 2.813 ( 3.571 0.883 1.245) 3.884 2.830 ( 2.313 -4.060 1.923) 5.053 2.893 ( -6.747 -1.406 5.283) 8.684 2.935 ( -5.803 -5.202 2.274) 8.118 3.024 ( -6.711 0.931 -0.228) 6.779 3.095 ( -6.675 -1.256 -5.713) 8.875 3.249 ( -1.081 -1.094 1.885) 2.432 3.299 ( -1.769 -1.166 -1.228) 2.449 3.438 ( 1.575 1.843 1.016) 2.628 3.465 ( 0.554 -2.262 -1.090) 2.571 3.512 ( 1.692 -9.921 3.136) 10.541 3.657 ( 3.030 -4.400 -3.267) 6.263 3.717 ( 3.095 -3.110 2.286) 4.947 3.795 ( 0.705 2.233 -0.879) 2.501 3.869 ( 11.296 -0.252 4.623) 12.208 3.964 ( -0.980 -3.560 1.853) 4.132 4.051 ( -0.534 0.665 4.223) 4.308 4.151 ( 4.437 1.261 -1.904) 4.991 4.165 ( 2.005 3.126 3.377) 5.019 4.268 ( -1.144 6.517 1.105) 6.709 4.298 ( 7.426 1.212 -4.204) 8.619 4.368 ( 4.893 4.462 -5.238) 8.443 4.514 ( 0.085 3.001 1.061) 3.184 4.533 ( -1.057 2.958 -0.216) 3.149 4.602 ( 0.078 3.346 0.992) 3.490 4.646 ( 0.380 2.721 -3.644) 4.564 4.771 ( -0.661 2.043 0.307) 2.169 4.791 ( -0.038 0.214 -2.084) 2.095 5.279 ( -9.010 2.669 7.602) 12.087 5.294 ( -4.950 1.300 2.239) 5.586 5.389 ( -6.306 1.355 1.181) 6.557 5.463 ( -9.641 -0.768 -1.101) 9.734 5.605 ( -2.804 1.515 0.496) 3.225 5.623 ( -3.136 0.225 -1.364) 3.427 5.659 ( -0.555 4.204 -1.487) 4.493 5.679 ( -1.075 3.736 -2.704) 4.736 5.815 ( -0.008 -0.342 -0.108) 0.359 5.827 ( 0.203 0.515 -1.558) 1.653 5.972 ( 9.886 -4.693 7.308) 13.159 6.105 ( 7.479 -5.076 -4.439) 10.070 6.142 ( 2.458 -1.254 4.854) 5.583 6.170 ( 4.651 -0.818 0.250) 4.729 6.313 ( -1.731 -3.379 1.162) 3.970 6.338 ( 0.134 0.729 -0.152) 0.757 6.458 ( 6.986 -2.355 -2.811) 7.890 6.500 ( 2.144 -0.316 -4.438) 4.939 6.557 ( 0.555 1.422 8.091) 8.233 6.673 ( -2.010 4.450 -3.784) 6.177 6.810 ( -3.687 -3.420 2.994) 5.853 7.008 ( -6.710 -8.114 -15.630) 18.846 14.387 ( 0.565 0.158 0.048) 0.589 14.397 ( 0.968 0.081 -1.032) 1.417 14.473 ( -1.032 -0.505 0.954) 1.494 14.500 ( -1.158 -0.597 -1.827) 2.244 14.738 ( 1.475 0.102 0.029) 1.479 14.740 ( 1.542 0.088 -0.132) 1.551 14.864 ( -1.443 0.247 0.168) 1.474 14.869 ( -1.451 0.201 -0.293) 1.494 17.868 ( -0.088 0.998 0.579) 1.158 17.875 ( -0.306 0.920 -0.137) 0.979 18.019 ( 1.344 -1.041 1.507) 2.272 18.048 ( 0.858 -1.629 -1.405) 2.316 18.163 ( 0.564 -1.982 0.869) 2.237 18.174 ( 0.394 -1.918 -0.260) 1.975 18.320 ( -1.653 -2.331 1.129) 3.072 18.340 ( -1.509 -2.770 -0.843) 3.265 18.476 ( -0.224 3.306 1.188) 3.520 18.490 ( -0.729 3.398 -0.105) 3.476 18.531 ( 0.582 3.073 0.497) 3.167 18.550 ( 0.297 2.340 -1.440) 2.763 24.818 ( 0.285 0.043 0.174) 0.337 24.819 ( 0.321 0.033 0.090) 0.335 24.855 ( -0.492 -0.062 0.215) 0.541 24.856 ( -0.512 -0.076 0.032) 0.519 25.897 ( 2.651 -4.602 -0.484) 5.333 25.902 ( 2.955 -5.006 -0.811) 5.870 26.023 ( 1.005 -3.407 3.904) 5.278 26.101 ( 0.378 0.001 -3.663) 3.683 26.259 ( -3.332 0.598 3.602) 4.943 26.323 ( -3.390 2.968 -2.537) 5.171 26.496 ( 1.934 1.612 0.679) 2.608 26.576 ( 2.383 4.717 -7.052) 8.813 26.907 ( 1.141 -0.637 3.820) 4.037 26.960 ( 1.844 -0.046 -1.750) 2.542 27.675 ( -2.448 -2.456 3.134) 4.674 27.743 ( -3.856 -2.695 -3.624) 5.938 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.40 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 3.493 0.280 6.210) 7.130 1.761 ( -4.423 0.044 4.772) 6.507 1.819 ( 2.632 1.795 -3.109) 4.452 1.862 ( -1.858 4.837 2.963) 5.969 1.973 ( -0.293 7.565 6.934) 10.266 2.010 ( -4.222 8.596 5.653) 11.121 2.251 ( 4.112 3.982 -9.476) 11.070 2.283 ( 1.974 1.238 -5.543) 6.013 2.477 ( 7.056 2.546 6.698) 10.057 2.607 ( -2.057 -0.789 -0.443) 2.248 2.753 ( -0.344 -2.388 1.169) 2.681 2.778 ( -2.887 -3.239 -1.975) 4.767 2.833 ( -3.696 -0.918 -5.757) 6.903 2.902 ( -7.990 -1.544 -5.832) 10.012 2.935 ( 3.604 -3.806 -0.559) 5.272 2.990 ( -2.699 -4.445 -5.203) 7.356 3.250 ( 0.700 0.065 1.169) 1.364 3.269 ( -1.365 0.096 -0.480) 1.450 3.438 ( -0.002 -3.312 0.773) 3.401 3.454 ( -1.315 -4.288 -0.930) 4.580 3.609 ( 7.394 -7.837 8.949) 14.007 3.712 ( 0.523 -2.091 6.074) 6.445 3.757 ( -0.782 -0.796 -3.261) 3.447 3.764 ( -2.123 -1.869 3.458) 4.467 3.930 ( 1.895 -4.188 0.039) 4.597 4.003 ( -2.635 -6.407 -3.226) 7.642 4.128 ( 8.523 2.960 6.449) 11.090 4.186 ( 1.118 2.731 4.840) 5.669 4.255 ( 4.710 6.322 -1.875) 8.104 4.274 ( 1.289 1.947 -1.619) 2.842 4.452 ( 6.338 1.591 -0.386) 6.547 4.463 ( 2.848 -0.754 -2.372) 3.782 4.504 ( 0.492 6.001 2.374) 6.472 4.544 ( -0.638 5.453 -1.492) 5.689 4.599 ( 1.085 4.638 3.956) 6.192 4.642 ( 1.730 1.940 -0.581) 2.663 4.724 ( -2.717 0.963 2.341) 3.713 4.788 ( -3.698 3.822 2.294) 5.792 5.047 ( -4.990 5.621 1.979) 7.773 5.183 ( -13.384 5.171 -7.430) 16.158 5.331 ( 1.779 -4.499 0.536) 4.867 5.357 ( -1.060 -2.948 -2.028) 3.731 5.537 ( -2.430 3.660 -0.313) 4.405 5.553 ( -3.655 2.673 -1.402) 4.740 5.670 ( 0.812 4.379 -0.059) 4.454 5.678 ( -0.043 4.638 -0.685) 4.688 5.817 ( 0.317 1.280 -0.209) 1.335 5.824 ( -0.406 1.673 -1.033) 2.008 6.133 ( 7.248 -6.085 6.515) 11.490 6.181 ( 2.285 -2.915 2.242) 4.329 6.191 ( 1.794 -2.087 5.346) 6.012 6.250 ( -4.419 -7.207 4.375) 9.519 6.309 ( 5.895 -3.191 0.957) 6.771 6.350 ( 0.616 -0.118 0.497) 0.800 6.538 ( 1.582 2.218 0.282) 2.739 6.547 ( 1.967 0.442 -2.479) 3.195 6.607 ( 2.666 1.506 -4.341) 5.312 6.641 ( 0.151 -0.048 -9.238) 9.239 6.741 ( -1.218 -3.370 1.267) 3.801 6.851 ( -9.414 -6.943 -11.067) 16.103 14.402 ( 1.059 0.210 0.359) 1.138 14.414 ( 0.336 0.185 -0.609) 0.719 14.456 ( -0.233 -0.493 -0.001) 0.545 14.473 ( -1.561 -0.518 -1.569) 2.273 14.773 ( 2.046 0.280 0.039) 2.066 14.776 ( 2.014 0.264 -0.212) 2.042 14.830 ( -1.917 0.095 0.133) 1.924 14.834 ( -2.069 0.065 -0.236) 2.083 17.867 ( -0.005 1.043 0.394) 1.115 17.869 ( -0.282 1.029 0.148) 1.077 18.046 ( 1.323 -2.059 0.824) 2.583 18.059 ( 0.065 -2.358 -0.397) 2.392 18.177 ( 0.917 -1.004 0.565) 1.473 18.184 ( 0.407 -0.761 -0.100) 0.869 18.291 ( -0.813 -2.554 0.789) 2.793 18.305 ( -1.904 -2.675 -0.481) 3.319 18.474 ( 0.050 3.149 0.629) 3.211 18.479 ( -0.414 3.230 0.227) 3.264 18.543 ( 0.592 2.598 -0.134) 2.668 18.551 ( -0.220 2.332 -0.929) 2.520 24.825 ( 0.476 0.054 0.200) 0.519 24.826 ( 0.434 0.036 0.085) 0.443 24.844 ( -0.545 -0.050 0.221) 0.590 24.845 ( -0.600 -0.070 0.089) 0.610 25.945 ( 1.978 -2.570 0.146) 3.247 25.952 ( 1.531 -2.719 -0.432) 3.150 26.055 ( 2.669 -6.580 1.700) 7.302 26.101 ( -1.182 -6.196 -2.710) 6.865 26.213 ( -0.417 3.000 1.835) 3.542 26.253 ( -3.722 2.975 -1.943) 5.145 26.543 ( 2.666 2.755 -0.640) 3.886 26.583 ( -1.402 4.425 -4.758) 6.647 26.951 ( 2.974 2.685 3.446) 5.285 26.983 ( 0.025 3.427 0.227) 3.434 27.638 ( -0.733 -5.114 0.498) 5.191 27.666 ( -3.626 -5.020 -2.268) 6.595 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.000 1.502 3.714) 4.006 1.696 ( 0.000 -0.635 -2.526) 2.605 1.969 ( 0.000 0.748 7.642) 7.679 1.999 ( 0.000 3.016 5.262) 6.065 2.133 ( 0.000 2.878 8.519) 8.993 2.156 ( 0.000 1.174 0.233) 1.197 2.210 ( 0.000 10.847 3.077) 11.275 2.339 ( 0.000 -0.594 -9.076) 9.095 2.354 ( 0.000 -3.455 -5.923) 6.857 2.460 ( 0.000 8.163 -10.527) 13.322 2.702 ( 0.000 -3.269 4.328) 5.424 2.751 ( 0.000 -1.158 0.571) 1.291 2.893 ( 0.000 -6.319 4.232) 7.605 2.923 ( 0.000 -1.852 4.231) 4.618 3.061 ( 0.000 -7.734 1.431) 7.865 3.107 ( 0.000 -9.870 2.515) 10.185 3.192 ( 0.000 2.279 2.996) 3.764 3.272 ( 0.000 -1.507 -2.521) 2.937 3.398 ( 0.000 -2.408 -3.766) 4.470 3.426 ( 0.000 2.580 6.043) 6.571 3.444 ( 0.000 -5.163 -9.791) 11.069 3.532 ( 0.000 3.773 -2.610) 4.588 3.725 ( 0.000 1.989 1.700) 2.616 3.814 ( 0.000 0.512 -4.641) 4.669 3.875 ( 0.000 6.620 7.855) 10.273 4.008 ( 0.000 -0.568 -3.960) 4.001 4.020 ( 0.000 -1.129 4.883) 5.011 4.105 ( 0.000 -0.793 -2.137) 2.280 4.150 ( 0.000 1.901 4.262) 4.667 4.176 ( 0.000 -0.325 0.428) 0.537 4.418 ( 0.000 4.654 3.740) 5.971 4.429 ( 0.000 3.379 1.337) 3.634 4.579 ( 0.000 2.337 -3.480) 4.192 4.605 ( 0.000 0.585 -5.934) 5.963 4.655 ( 0.000 3.000 -1.883) 3.542 4.664 ( 0.000 1.782 -3.174) 3.640 4.826 ( 0.000 2.311 1.886) 2.983 4.840 ( 0.000 0.990 -0.242) 1.019 5.306 ( 0.000 3.251 7.139) 7.845 5.410 ( 0.000 2.739 -3.524) 4.463 5.572 ( 0.000 0.544 4.788) 4.819 5.624 ( 0.000 -0.894 5.131) 5.208 5.650 ( 0.000 -1.668 -0.553) 1.757 5.671 ( 0.000 6.326 4.512) 7.770 5.721 ( 0.000 -1.178 0.528) 1.291 5.735 ( 0.000 -1.969 0.177) 1.977 5.762 ( 0.000 2.057 1.494) 2.543 5.784 ( 0.000 0.522 0.213) 0.564 5.854 ( 0.000 -3.981 -5.261) 6.597 5.892 ( 0.000 1.546 -4.089) 4.372 6.141 ( 0.000 3.023 1.962) 3.604 6.155 ( 0.000 0.233 -0.408) 0.470 6.234 ( 0.000 -4.400 -0.585) 4.439 6.238 ( 0.000 -4.598 -2.112) 5.060 6.405 ( 0.000 -0.948 6.601) 6.669 6.482 ( 0.000 -0.670 -2.912) 2.988 6.552 ( 0.000 -0.634 9.371) 9.392 6.733 ( 0.000 -4.006 1.993) 4.475 6.806 ( 0.000 0.910 -5.762) 5.834 6.881 ( 0.000 -5.973 -20.502) 21.354 14.385 ( 0.000 0.168 -0.316) 0.358 14.389 ( 0.000 0.069 -0.740) 0.743 14.474 ( 0.000 -0.179 0.749) 0.770 14.494 ( 0.000 -0.864 -1.375) 1.624 14.725 ( 0.000 0.043 -0.012) 0.045 14.726 ( 0.000 0.026 -0.055) 0.061 14.885 ( 0.000 0.307 0.001) 0.307 14.887 ( 0.000 0.194 -0.297) 0.355 17.896 ( 0.000 1.520 0.428) 1.579 17.902 ( 0.000 1.296 -0.130) 1.303 17.988 ( 0.000 -1.107 1.005) 1.495 18.002 ( 0.000 -1.971 -0.483) 2.029 18.120 ( 0.000 -1.149 0.546) 1.272 18.126 ( 0.000 -1.580 -0.104) 1.584 18.296 ( 0.000 -1.314 0.459) 1.391 18.305 ( 0.000 -1.695 -0.563) 1.787 18.544 ( 0.000 2.497 1.052) 2.709 18.558 ( 0.000 2.045 -0.187) 2.054 18.588 ( 0.000 2.226 0.201) 2.235 18.592 ( 0.000 1.758 -0.304) 1.784 24.816 ( 0.000 0.075 0.134) 0.154 24.817 ( 0.000 0.063 0.099) 0.118 24.858 ( 0.000 -0.057 0.180) 0.189 24.859 ( 0.000 -0.103 0.031) 0.107 25.772 ( 0.000 -3.266 -0.339) 3.284 25.776 ( 0.000 -3.237 -0.703) 3.312 25.950 ( 0.000 -2.699 2.880) 3.947 26.036 ( 0.000 -5.728 -5.824) 8.169 26.381 ( 0.000 4.733 7.303) 8.703 26.420 ( 0.000 4.612 7.229) 8.575 26.557 ( 0.000 2.869 -5.486) 6.191 26.623 ( 0.000 6.160 -8.571) 10.555 26.829 ( 0.000 -6.951 0.590) 6.976 26.859 ( 0.000 -4.189 -2.557) 4.908 27.690 ( 0.000 0.297 2.683) 2.700 27.745 ( 0.000 -1.755 -2.867) 3.361 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.20 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 1.950 2.070 3.659) 4.634 1.732 ( 3.575 -0.376 -3.795) 5.227 1.945 ( -5.039 3.573 5.418) 8.217 1.975 ( -0.339 1.656 3.372) 3.772 2.124 ( 0.566 4.353 8.361) 9.444 2.209 ( 3.528 3.970 4.157) 6.745 2.222 ( 1.659 7.220 4.120) 8.477 2.360 ( 0.778 2.620 -7.474) 7.958 2.416 ( 4.944 -3.183 -8.134) 10.037 2.439 ( 2.651 6.021 -9.004) 11.151 2.748 ( 3.527 -4.790 3.710) 7.011 2.762 ( -1.768 -6.162 4.700) 7.950 2.861 ( -0.881 -1.226 3.241) 3.576 2.882 ( -3.912 0.337 2.704) 4.767 3.009 ( -7.295 -4.382 -1.492) 8.640 3.062 ( -10.061 0.030 -2.183) 10.296 3.148 ( 3.552 -8.172 1.996) 9.132 3.222 ( -1.935 -4.865 -1.837) 5.549 3.364 ( -1.841 -1.694 0.660) 2.587 3.411 ( -3.204 -3.989 -4.181) 6.607 3.522 ( 3.510 3.149 -1.980) 5.114 3.575 ( 0.795 4.795 -5.581) 7.401 3.711 ( 1.754 -2.293 5.819) 6.496 3.803 ( 1.257 -1.210 -3.148) 3.599 3.865 ( -2.037 -2.213 5.559) 6.320 3.892 ( -3.672 -2.487 2.876) 5.286 4.056 ( 2.812 2.265 5.142) 6.283 4.180 ( 5.899 -0.458 -5.493) 8.073 4.255 ( 8.035 4.374 2.167) 9.402 4.307 ( 8.121 0.635 0.464) 8.159 4.393 ( -2.057 5.558 1.440) 6.098 4.477 ( 2.412 5.610 -2.659) 6.661 4.561 ( 0.229 -0.127 0.836) 0.876 4.608 ( 2.735 2.510 -1.152) 3.887 4.661 ( 0.781 1.164 -0.867) 1.649 4.690 ( 0.070 1.863 -3.123) 3.638 4.815 ( -0.208 1.968 1.017) 2.225 4.818 ( -1.580 2.466 0.196) 2.935 5.274 ( -2.892 0.950 6.137) 6.851 5.376 ( -6.149 -1.105 -3.317) 7.074 5.429 ( -10.894 6.711 6.694) 14.441 5.504 ( -10.002 3.383 0.377) 10.565 5.628 ( -1.100 0.512 3.484) 3.689 5.657 ( 1.403 0.913 4.255) 4.573 5.741 ( 2.325 2.887 -1.116) 3.871 5.768 ( 0.820 3.017 -2.147) 3.793 5.784 ( 1.548 0.790 0.274) 1.759 5.814 ( 3.078 -1.636 -2.899) 4.534 5.927 ( 5.743 -0.254 0.296) 5.756 5.977 ( 5.150 -5.360 -2.427) 7.820 6.121 ( -1.706 -0.737 4.949) 5.286 6.165 ( 1.857 0.187 -0.291) 1.889 6.230 ( -0.234 -2.310 1.613) 2.827 6.301 ( 3.672 -4.204 -6.382) 8.478 6.414 ( 2.100 -3.140 6.116) 7.189 6.492 ( 1.307 -2.301 -2.463) 3.615 6.558 ( 0.790 0.718 5.882) 5.978 6.707 ( -2.556 -3.742 1.833) 4.889 6.782 ( -2.551 0.844 -5.793) 6.386 6.832 ( -4.973 -4.680 -18.543) 19.760 14.391 ( 0.687 0.264 -0.124) 0.746 14.399 ( 0.954 0.013 -0.903) 1.313 14.465 ( -0.947 -0.146 0.687) 1.179 14.484 ( -1.046 -0.808 -1.352) 1.890 14.741 ( 1.618 0.104 -0.012) 1.622 14.742 ( 1.662 0.065 -0.116) 1.667 14.870 ( -1.535 0.272 -0.004) 1.559 14.873 ( -1.543 0.159 -0.297) 1.580 17.897 ( 0.026 1.615 0.444) 1.675 17.902 ( -0.031 1.523 -0.074) 1.525 17.989 ( 0.143 -1.714 1.038) 2.009 18.003 ( 0.035 -2.329 -0.468) 2.376 18.132 ( 1.330 -0.871 0.572) 1.689 18.140 ( 1.459 -1.189 -0.209) 1.894 18.279 ( -1.684 -1.309 0.619) 2.220 18.291 ( -1.541 -1.767 -0.562) 2.412 18.542 ( -0.165 2.692 0.885) 2.839 18.553 ( -0.457 2.397 -0.091) 2.442 18.587 ( -0.060 1.869 0.198) 1.880 18.592 ( -0.036 1.382 -0.391) 1.437 24.819 ( 0.295 0.079 0.143) 0.338 24.820 ( 0.310 0.058 0.090) 0.328 24.853 ( -0.474 -0.055 0.194) 0.515 24.854 ( -0.498 -0.094 0.074) 0.513 25.810 ( 3.747 -3.054 -0.248) 4.840 25.815 ( 3.881 -2.982 -0.798) 4.959 25.950 ( -0.087 -2.743 2.568) 3.758 26.024 ( -1.442 -5.371 -4.766) 7.324 26.327 ( -2.933 4.834 5.565) 7.934 26.427 ( -3.884 6.391 -2.277) 7.818 26.492 ( 0.158 -1.571 4.926) 5.173 26.658 ( -2.207 0.379 -10.210) 10.452 26.879 ( 8.695 -0.275 4.203) 9.661 26.957 ( 7.869 -0.843 -4.160) 8.941 27.632 ( -5.941 -1.102 2.233) 6.442 27.682 ( -6.534 -2.781 -2.747) 7.613 ======================= Grid point 152 (57/60) ======================= q-point: ( 0.40 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 4.430 3.335 3.659) 6.643 1.796 ( 0.045 2.484 -1.727) 3.025 1.860 ( -0.722 1.640 1.002) 2.053 1.929 ( -4.393 1.320 -3.549) 5.800 2.157 ( 2.606 7.898 11.747) 14.393 2.207 ( -2.335 9.859 9.429) 13.840 2.312 ( 5.642 1.102 -0.117) 5.750 2.366 ( 0.484 5.891 -6.604) 8.863 2.531 ( 8.311 1.532 -2.974) 8.959 2.572 ( 6.911 -1.316 -4.319) 8.255 2.688 ( -3.450 -3.175 5.363) 7.123 2.733 ( -6.055 -0.652 5.054) 7.914 2.795 ( -5.719 -2.940 -2.028) 6.742 2.852 ( -6.285 -0.973 -0.781) 6.407 2.879 ( 1.321 -3.551 -2.613) 4.603 2.908 ( -4.374 -1.950 -9.710) 10.826 3.212 ( 2.580 -4.454 0.198) 5.151 3.222 ( 0.854 -3.717 -0.364) 3.831 3.324 ( -1.310 -5.175 0.004) 5.338 3.346 ( -3.245 -5.371 -2.031) 6.595 3.547 ( 2.094 1.508 3.719) 4.527 3.612 ( -0.928 -3.056 3.175) 4.503 3.677 ( 0.363 -5.523 0.094) 5.536 3.762 ( -4.759 -5.568 -3.673) 8.194 3.909 ( 5.306 3.680 2.542) 6.939 3.946 ( 2.232 3.338 -1.544) 4.302 4.138 ( 5.806 -1.263 7.222) 9.352 4.217 ( -2.220 -1.923 2.093) 3.607 4.341 ( 2.762 3.677 -4.503) 6.436 4.371 ( -0.845 4.946 -4.534) 6.762 4.438 ( 5.104 -0.041 0.691) 5.151 4.482 ( -0.041 0.617 -3.519) 3.573 4.631 ( 0.760 4.039 2.898) 5.029 4.648 ( -1.730 1.138 2.700) 3.403 4.660 ( 2.242 0.202 1.321) 2.610 4.670 ( 0.722 2.691 -0.761) 2.888 4.809 ( 3.015 7.805 5.705) 10.127 4.867 ( 2.567 3.894 1.693) 4.962 5.160 ( -8.223 0.530 4.751) 9.512 5.197 ( -6.673 -5.474 0.662) 8.656 5.349 ( -3.184 7.572 -0.264) 8.218 5.355 ( -2.660 8.006 -1.075) 8.504 5.628 ( 1.199 3.686 2.412) 4.565 5.659 ( -1.361 4.191 1.023) 4.524 5.770 ( 1.077 4.945 -1.029) 5.164 5.780 ( 0.214 4.587 -0.733) 4.650 5.832 ( 2.636 0.403 1.078) 2.876 5.859 ( 0.337 1.459 -1.965) 2.471 5.996 ( 3.040 -4.877 3.140) 6.549 6.041 ( 0.343 -9.102 2.810) 9.532 6.108 ( 1.606 -5.557 3.440) 6.730 6.164 ( -2.551 -2.928 0.556) 3.923 6.266 ( 3.752 0.317 -0.536) 3.804 6.316 ( -1.311 -1.780 -3.700) 4.310 6.484 ( 3.658 -7.059 0.984) 8.011 6.519 ( 0.283 -6.681 -0.653) 6.719 6.600 ( 4.682 2.284 -3.096) 6.060 6.670 ( -0.287 -0.597 -0.372) 0.760 6.718 ( -5.622 -1.189 -9.103) 10.765 6.718 ( -5.033 -0.277 -8.534) 9.912 14.409 ( 1.172 0.413 0.113) 1.248 14.419 ( 0.832 0.246 -0.831) 1.201 14.445 ( -0.710 -0.411 0.200) 0.845 14.459 ( -1.509 -0.721 -1.195) 2.055 14.780 ( 2.432 0.299 -0.036) 2.451 14.782 ( 2.448 0.241 -0.212) 2.469 14.832 ( -2.349 0.098 -0.016) 2.352 14.835 ( -2.409 0.011 -0.264) 2.423 17.897 ( 0.074 1.796 0.388) 1.839 17.900 ( -0.180 1.822 0.144) 1.836 17.994 ( 0.396 -2.652 0.649) 2.758 18.001 ( -0.313 -2.844 -0.051) 2.861 18.166 ( 2.112 -0.101 0.567) 2.190 18.175 ( 1.776 -0.208 -0.314) 1.816 18.242 ( -1.770 -1.835 0.674) 2.638 18.253 ( -2.294 -2.063 -0.381) 3.109 18.541 ( 0.022 2.885 0.513) 2.930 18.544 ( -0.376 2.807 0.157) 2.836 18.587 ( 0.114 1.265 -0.017) 1.270 18.590 ( -0.157 1.066 -0.308) 1.121 24.827 ( 0.528 0.111 0.167) 0.564 24.828 ( 0.512 0.084 0.098) 0.528 24.842 ( -0.613 -0.079 0.197) 0.649 24.843 ( -0.638 -0.107 0.120) 0.658 25.888 ( 3.795 -2.364 0.056) 4.471 25.895 ( 4.044 -2.524 -0.713) 4.821 25.943 ( -0.634 -3.302 1.279) 3.598 25.980 ( -3.286 -4.565 -2.329) 6.088 26.303 ( 0.575 4.984 2.149) 5.458 26.346 ( -3.745 5.419 -1.784) 6.824 26.521 ( 2.474 -3.921 1.897) 5.009 26.586 ( -4.389 -3.772 -4.197) 7.149 27.064 ( 8.887 7.086 1.661) 11.487 27.101 ( 5.590 6.593 -1.955) 8.862 27.510 ( -5.133 -6.223 0.459) 8.080 27.539 ( -7.388 -6.473 -2.302) 10.088 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 0.000 -1.219 0.921) 1.528 1.677 ( 0.000 1.219 0.921) 1.528 2.006 ( 0.000 -2.150 4.805) 5.264 2.006 ( 0.000 2.150 4.805) 5.264 2.164 ( 0.000 -0.629 3.865) 3.916 2.164 ( 0.000 0.629 3.865) 3.916 2.302 ( 0.000 -1.601 -7.996) 8.155 2.302 ( 0.000 1.601 -7.996) 8.155 2.499 ( 0.000 -11.374 3.279) 11.837 2.499 ( 0.000 11.374 3.279) 11.837 2.678 ( 0.000 -6.486 -2.490) 6.948 2.678 ( 0.000 6.486 -2.490) 6.948 2.851 ( 0.000 -3.254 -1.262) 3.490 2.851 ( 0.000 3.254 -1.262) 3.490 2.977 ( 0.000 -2.128 6.531) 6.869 2.977 ( 0.000 2.128 6.531) 6.869 3.237 ( 0.000 -1.736 -1.791) 2.494 3.237 ( 0.000 1.736 -1.791) 2.494 3.375 ( 0.000 -1.176 -4.531) 4.681 3.375 ( 0.000 1.176 -4.531) 4.681 3.527 ( 0.000 -4.375 6.404) 7.755 3.527 ( 0.000 4.375 6.404) 7.755 3.787 ( 0.000 -3.149 -5.633) 6.453 3.787 ( 0.000 3.149 -5.633) 6.453 3.966 ( 0.000 -2.379 3.864) 4.537 3.966 ( 0.000 2.379 3.864) 4.537 4.048 ( 0.000 -3.457 -2.560) 4.302 4.048 ( 0.000 3.457 -2.560) 4.302 4.190 ( 0.000 -0.818 5.950) 6.006 4.190 ( 0.000 0.818 5.950) 6.006 4.468 ( 0.000 -0.061 2.714) 2.715 4.468 ( 0.000 0.061 2.714) 2.715 4.601 ( 0.000 -0.571 -6.941) 6.965 4.601 ( 0.000 0.571 -6.941) 6.965 4.689 ( 0.000 -0.055 -3.162) 3.163 4.689 ( 0.000 0.055 -3.162) 3.163 4.845 ( 0.000 -0.152 1.686) 1.693 4.845 ( 0.000 0.152 1.686) 1.693 5.419 ( 0.000 -4.625 2.544) 5.278 5.419 ( 0.000 4.625 2.544) 5.278 5.573 ( 0.000 -0.067 5.037) 5.037 5.573 ( 0.000 0.067 5.037) 5.037 5.652 ( 0.000 -2.005 -3.133) 3.719 5.652 ( 0.000 2.005 -3.133) 3.719 5.739 ( 0.000 -1.407 -0.172) 1.417 5.739 ( 0.000 1.407 -0.172) 1.417 5.783 ( 0.000 -1.223 2.585) 2.860 5.783 ( 0.000 1.223 2.585) 2.860 5.882 ( 0.000 -2.755 2.318) 3.601 5.882 ( 0.000 2.755 2.318) 3.601 6.164 ( 0.000 -1.084 -1.743) 2.053 6.164 ( 0.000 1.084 -1.743) 2.053 6.197 ( 0.000 -0.228 2.613) 2.623 6.197 ( 0.000 0.228 2.613) 2.623 6.411 ( 0.000 -4.835 0.205) 4.839 6.411 ( 0.000 4.835 0.205) 4.839 6.595 ( 0.000 -4.548 -0.811) 4.620 6.595 ( 0.000 4.548 -0.811) 4.620 6.838 ( 0.000 -1.310 -10.155) 10.239 6.838 ( 0.000 1.310 -10.155) 10.239 14.388 ( 0.000 -0.132 -0.491) 0.508 14.388 ( 0.000 0.132 -0.491) 0.508 14.478 ( 0.000 -0.569 -0.319) 0.653 14.478 ( 0.000 0.569 -0.319) 0.653 14.726 ( 0.000 -0.010 -0.032) 0.034 14.726 ( 0.000 0.010 -0.032) 0.034 14.889 ( 0.000 -0.077 -0.192) 0.207 14.889 ( 0.000 0.077 -0.192) 0.207 17.920 ( 0.000 -0.157 0.087) 0.179 17.920 ( 0.000 0.157 0.087) 0.179 17.972 ( 0.000 -0.286 0.357) 0.457 17.972 ( 0.000 0.286 0.357) 0.457 18.109 ( 0.000 -0.127 0.200) 0.237 18.109 ( 0.000 0.127 0.200) 0.237 18.285 ( 0.000 -0.252 -0.067) 0.261 18.285 ( 0.000 0.252 -0.067) 0.261 18.576 ( 0.000 -0.374 0.265) 0.458 18.576 ( 0.000 0.374 0.265) 0.458 18.611 ( 0.000 -0.002 0.216) 0.216 18.611 ( 0.000 0.002 0.216) 0.216 24.818 ( 0.000 -0.011 0.111) 0.112 24.818 ( 0.000 0.011 0.111) 0.112 24.858 ( 0.000 -0.038 0.112) 0.118 24.858 ( 0.000 0.038 0.112) 0.118 25.740 ( 0.000 -0.144 -0.457) 0.480 25.740 ( 0.000 0.144 -0.457) 0.480 25.940 ( 0.000 -2.313 -1.752) 2.902 25.940 ( 0.000 2.313 -1.752) 2.902 26.463 ( 0.000 -1.796 9.689) 9.854 26.463 ( 0.000 1.796 9.689) 9.854 26.656 ( 0.000 -6.445 -7.057) 9.557 26.656 ( 0.000 6.445 -7.057) 9.557 26.757 ( 0.000 -4.599 -3.363) 5.697 26.757 ( 0.000 4.599 -3.363) 5.697 27.711 ( 0.000 -1.493 -0.128) 1.499 27.711 ( 0.000 1.493 -0.128) 1.499 ======================= Grid point 157 (59/60) ======================= q-point: ( 0.20 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 3.369 -1.938 0.354) 3.903 1.709 ( 3.369 1.938 0.354) 3.903 1.992 ( -2.351 -0.603 3.247) 4.054 1.992 ( -2.351 0.603 3.247) 4.054 2.190 ( 3.168 -2.843 4.779) 6.400 2.190 ( 3.168 2.843 4.779) 6.400 2.339 ( 4.025 -1.400 -7.363) 8.507 2.339 ( 4.025 1.400 -7.363) 8.507 2.526 ( 1.580 -12.224 5.834) 13.637 2.526 ( 1.580 12.224 5.834) 13.637 2.647 ( -0.772 -9.198 -3.668) 9.932 2.647 ( -0.772 9.198 -3.668) 9.932 2.851 ( -1.193 -1.446 2.255) 2.933 2.851 ( -1.193 1.446 2.255) 2.933 2.992 ( -1.723 -3.377 3.824) 5.384 2.992 ( -1.723 3.377 3.824) 5.384 3.122 ( -4.820 -3.379 -6.400) 8.695 3.122 ( -4.820 3.379 -6.400) 8.695 3.366 ( -2.523 -0.927 -1.352) 3.008 3.366 ( -2.523 0.927 -1.352) 3.008 3.614 ( 1.323 -5.599 5.001) 7.623 3.614 ( 1.323 5.599 5.001) 7.623 3.719 ( -3.325 -6.655 -4.910) 8.914 3.719 ( -3.325 6.655 -4.910) 8.914 3.851 ( -1.867 -0.837 2.709) 3.395 3.851 ( -1.867 0.837 2.709) 3.395 4.129 ( 4.746 -3.638 0.060) 5.980 4.129 ( 4.746 3.638 0.060) 5.980 4.312 ( 7.306 -0.971 2.975) 7.948 4.312 ( 7.306 0.971 2.975) 7.948 4.506 ( 0.112 -4.575 1.358) 4.774 4.506 ( 0.112 4.575 1.358) 4.774 4.580 ( 2.175 -4.067 -4.326) 6.324 4.580 ( 2.175 4.067 -4.326) 6.324 4.693 ( -0.304 -1.553 -1.577) 2.234 4.693 ( -0.304 1.553 -1.577) 2.234 4.848 ( 1.383 -0.564 0.967) 1.779 4.848 ( 1.383 0.564 0.967) 1.779 5.329 ( -9.980 -3.164 2.363) 10.733 5.329 ( -9.980 3.164 2.363) 10.733 5.541 ( -1.405 -4.926 5.794) 7.734 5.541 ( -1.405 4.926 5.794) 7.734 5.628 ( -0.934 -7.118 -1.786) 7.398 5.628 ( -0.934 7.118 -1.786) 7.398 5.785 ( 3.314 -3.252 1.536) 4.890 5.785 ( 3.314 3.252 1.536) 4.890 5.812 ( 2.470 -0.991 1.656) 3.134 5.812 ( 2.470 0.991 1.656) 3.134 5.914 ( 2.573 -1.595 1.929) 3.589 5.914 ( 2.573 1.595 1.929) 3.589 6.150 ( -3.479 -2.554 -2.108) 4.803 6.150 ( -3.479 2.554 -2.108) 4.803 6.232 ( 4.930 -1.468 -0.819) 5.209 6.232 ( 4.930 1.468 -0.819) 5.209 6.394 ( -1.452 -4.234 0.212) 4.481 6.394 ( -1.452 4.234 0.212) 4.481 6.602 ( 0.897 -3.287 -0.898) 3.524 6.602 ( 0.897 3.287 -0.898) 3.524 6.806 ( -3.363 -0.805 -9.067) 9.704 6.806 ( -3.363 0.805 -9.067) 9.704 14.396 ( 0.852 -0.218 -0.479) 1.001 14.396 ( 0.852 0.218 -0.479) 1.001 14.469 ( -0.961 -0.548 -0.341) 1.158 14.469 ( -0.961 0.548 -0.341) 1.158 14.742 ( 1.702 -0.026 -0.067) 1.703 14.742 ( 1.702 0.026 -0.067) 1.703 14.874 ( -1.587 -0.075 -0.194) 1.600 14.874 ( -1.587 0.075 -0.194) 1.600 17.925 ( 0.451 -0.309 0.162) 0.570 17.925 ( 0.451 0.309 0.162) 0.570 17.966 ( -0.666 -0.523 0.327) 0.907 17.966 ( -0.666 0.523 0.327) 0.907 18.125 ( 1.741 -0.203 0.192) 1.763 18.125 ( 1.741 0.203 0.192) 1.763 18.269 ( -1.687 -0.305 -0.006) 1.714 18.269 ( -1.687 0.305 -0.006) 1.714 18.577 ( 0.172 -0.339 0.240) 0.450 18.577 ( 0.172 0.339 0.240) 0.450 18.605 ( -0.621 -0.054 0.170) 0.647 18.605 ( -0.621 0.054 0.170) 0.647 24.820 ( 0.306 -0.015 0.113) 0.326 24.820 ( 0.306 0.015 0.113) 0.326 24.853 ( -0.484 -0.030 0.137) 0.504 24.853 ( -0.484 0.030 0.137) 0.504 25.781 ( 4.017 -0.250 -0.310) 4.036 25.781 ( 4.017 0.250 -0.310) 4.036 25.938 ( -0.348 -2.015 -1.553) 2.568 25.938 ( -0.348 2.015 -1.553) 2.568 26.428 ( -2.523 -4.346 6.521) 8.233 26.428 ( -2.523 4.346 6.521) 8.233 26.572 ( -5.390 -6.858 -4.755) 9.935 26.572 ( -5.390 6.858 -4.755) 9.935 26.918 ( 12.792 -2.674 -2.746) 13.354 26.918 ( 12.792 2.674 -2.746) 13.354 27.636 ( -7.865 -1.403 -0.242) 7.993 27.636 ( -7.865 1.403 -0.242) 7.993 ======================= Grid point 159 (60/60) ======================= q-point: ( 0.40 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 5.832 -2.791 -0.349) 6.475 1.795 ( 5.832 2.791 -0.349) 6.475 1.909 ( -6.075 -2.788 0.231) 6.688 1.909 ( -6.075 2.788 0.231) 6.688 2.281 ( 6.194 -4.173 6.664) 10.010 2.281 ( 6.194 4.173 6.664) 10.010 2.382 ( -2.867 -5.204 2.838) 6.584 2.382 ( -2.867 5.204 2.838) 6.584 2.560 ( 6.652 -2.295 -2.007) 7.318 2.560 ( 6.652 2.295 -2.007) 7.318 2.703 ( 0.202 -5.659 -6.090) 8.316 2.703 ( 0.202 5.659 -6.090) 8.316 2.772 ( -2.497 -4.407 6.392) 8.155 2.772 ( -2.497 4.407 6.392) 8.155 2.878 ( -7.259 -2.032 -3.838) 8.459 2.878 ( -7.259 2.032 -3.838) 8.459 3.159 ( 5.387 -0.956 -2.501) 6.015 3.159 ( 5.387 0.956 -2.501) 6.015 3.275 ( -6.641 -0.507 -1.362) 6.798 3.275 ( -6.641 0.507 -1.362) 6.798 3.592 ( 0.194 -1.786 1.135) 2.125 3.592 ( 0.194 1.786 1.135) 2.125 3.633 ( -4.067 -4.829 -0.302) 6.320 3.633 ( -4.067 4.829 -0.302) 6.320 3.993 ( 10.607 -1.927 1.482) 10.882 3.993 ( 10.607 1.927 1.482) 10.882 4.138 ( -4.202 -3.351 2.419) 5.894 4.138 ( -4.202 3.351 2.419) 5.894 4.411 ( 3.580 -2.276 -2.102) 4.734 4.411 ( 3.580 2.276 -2.102) 4.734 4.463 ( -2.652 -2.658 -3.641) 5.230 4.463 ( -2.652 2.658 -3.641) 5.230 4.652 ( 2.988 -0.398 2.748) 4.079 4.652 ( 2.988 0.398 2.748) 4.079 4.684 ( -0.664 -1.339 0.685) 1.644 4.684 ( -0.664 1.339 0.685) 1.644 4.932 ( 7.723 -0.699 1.720) 7.943 4.932 ( 7.723 0.699 1.720) 7.943 5.114 ( -11.764 -0.400 2.404) 12.014 5.114 ( -11.764 0.400 2.404) 12.014 5.546 ( 2.111 -9.221 6.574) 11.519 5.546 ( 2.111 9.221 6.574) 11.519 5.600 ( -2.706 -10.774 4.160) 11.862 5.600 ( -2.706 10.774 4.160) 11.862 5.843 ( 2.278 -1.656 0.692) 2.900 5.843 ( 2.278 1.656 0.692) 2.900 5.854 ( 1.465 -2.134 -0.205) 2.596 5.854 ( 1.465 2.134 -0.205) 2.596 5.961 ( 3.586 -3.965 0.076) 5.346 5.961 ( 3.586 3.965 0.076) 5.346 6.059 ( -5.969 -5.760 -5.107) 9.741 6.059 ( -5.969 5.760 -5.107) 9.741 6.321 ( 3.947 -2.036 -1.195) 4.599 6.321 ( 3.947 2.036 -1.195) 4.599 6.369 ( -1.496 -2.445 -0.471) 2.905 6.369 ( -1.496 2.445 -0.471) 2.905 6.640 ( 3.538 -1.472 -2.722) 4.700 6.640 ( 3.538 1.472 -2.722) 4.700 6.725 ( -5.095 -0.258 -6.287) 8.096 6.725 ( -5.095 0.258 -6.287) 8.096 14.418 ( 1.429 -0.360 -0.445) 1.539 14.418 ( 1.429 0.360 -0.445) 1.539 14.446 ( -1.497 -0.479 -0.392) 1.620 14.446 ( -1.497 0.479 -0.392) 1.620 14.784 ( 2.686 -0.047 -0.137) 2.690 14.784 ( 2.686 0.047 -0.137) 2.690 14.834 ( -2.616 -0.066 -0.184) 2.623 14.834 ( -2.616 0.066 -0.184) 2.623 17.935 ( 0.718 -0.586 0.267) 0.964 17.935 ( 0.718 0.586 0.267) 0.964 17.950 ( -0.887 -0.694 0.300) 1.166 17.950 ( -0.887 0.694 0.300) 1.166 18.170 ( 2.957 -0.323 0.164) 2.979 18.170 ( 2.957 0.323 0.164) 2.979 18.226 ( -2.901 -0.362 0.103) 2.925 18.226 ( -2.901 0.362 0.103) 2.925 18.582 ( 0.407 -0.263 0.171) 0.514 18.582 ( 0.407 0.263 0.171) 0.514 18.592 ( -0.666 -0.165 0.125) 0.697 18.592 ( -0.666 0.165 0.125) 0.697 24.829 ( 0.612 -0.019 0.134) 0.626 24.829 ( 0.612 0.019 0.134) 0.626 24.841 ( -0.713 -0.019 0.156) 0.730 24.841 ( -0.713 0.019 0.156) 0.730 25.863 ( 4.246 -0.246 -0.141) 4.256 25.863 ( 4.246 0.246 -0.141) 4.256 25.920 ( -1.870 -1.041 -0.785) 2.280 25.920 ( -1.870 1.041 -0.785) 2.280 26.412 ( 1.324 -4.978 1.804) 5.458 26.412 ( 1.324 4.978 1.804) 5.458 26.475 ( -4.935 -5.711 -1.906) 7.785 26.475 ( -4.935 5.711 -1.906) 7.785 27.177 ( 14.808 -1.532 -1.436) 14.956 27.177 ( 14.808 1.532 -1.436) 14.956 27.439 ( -13.166 -1.292 -0.640) 13.245 27.439 ( -13.166 1.292 -0.640) 13.245 =================== 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 3/25920 10.0 452.433 151.959 279.084 0.000 0.000 0.000 3/25920 20.0 49.337 20.140 26.379 0.000 0.000 0.000 3/25920 30.0 16.459 8.029 9.164 0.000 0.000 0.000 3/25920 40.0 8.682 4.688 5.073 0.000 0.000 0.000 3/25920 50.0 5.676 3.270 3.445 0.000 0.000 0.000 3/25920 60.0 4.185 2.523 2.614 0.000 0.000 0.000 3/25920 70.0 3.323 2.071 2.121 0.000 0.000 0.000 3/25920 80.0 2.767 1.769 1.797 0.000 0.000 0.000 3/25920 90.0 2.381 1.552 1.567 0.000 0.000 0.000 3/25920 100.0 2.096 1.388 1.395 0.000 0.000 0.000 3/25920 110.0 1.876 1.259 1.261 0.000 0.000 0.000 3/25920 120.0 1.702 1.153 1.152 0.000 0.000 0.000 3/25920 130.0 1.560 1.066 1.063 0.000 0.000 0.000 3/25920 140.0 1.441 0.992 0.987 0.000 0.000 0.000 3/25920 150.0 1.341 0.929 0.923 0.000 0.000 0.000 3/25920 160.0 1.255 0.875 0.867 0.000 0.000 0.000 3/25920 170.0 1.180 0.827 0.819 0.000 0.000 0.000 3/25920 180.0 1.115 0.786 0.776 0.000 0.000 0.000 3/25920 190.0 1.058 0.749 0.739 0.000 0.000 0.000 3/25920 200.0 1.007 0.716 0.705 0.000 0.000 0.000 3/25920 210.0 0.962 0.687 0.675 0.000 0.000 0.000 3/25920 220.0 0.921 0.661 0.649 0.000 0.000 0.000 3/25920 230.0 0.884 0.637 0.624 0.000 0.000 0.000 3/25920 240.0 0.850 0.616 0.602 0.000 0.000 0.000 3/25920 250.0 0.820 0.596 0.582 0.000 0.000 0.000 3/25920 260.0 0.792 0.578 0.564 0.000 0.000 0.000 3/25920 270.0 0.766 0.562 0.547 0.000 0.000 0.000 3/25920 280.0 0.742 0.547 0.531 0.000 0.000 0.000 3/25920 290.0 0.720 0.532 0.516 0.000 0.000 0.000 3/25920 300.0 0.699 0.519 0.503 0.000 0.000 0.000 3/25920 310.0 0.680 0.507 0.490 0.000 0.000 0.000 3/25920 320.0 0.662 0.495 0.478 0.000 0.000 0.000 3/25920 330.0 0.645 0.484 0.466 0.000 0.000 0.000 3/25920 340.0 0.629 0.474 0.456 0.000 0.000 0.000 3/25920 350.0 0.614 0.464 0.446 0.000 0.000 0.000 3/25920 360.0 0.599 0.454 0.436 0.000 0.000 0.000 3/25920 370.0 0.586 0.445 0.427 0.000 0.000 0.000 3/25920 380.0 0.573 0.437 0.418 0.000 0.000 0.000 3/25920 390.0 0.560 0.429 0.410 0.000 0.000 0.000 3/25920 400.0 0.549 0.421 0.402 0.000 0.000 0.000 3/25920 410.0 0.537 0.413 0.394 0.000 0.000 0.000 3/25920 420.0 0.527 0.406 0.387 0.000 0.000 0.000 3/25920 430.0 0.516 0.399 0.380 0.000 0.000 0.000 3/25920 440.0 0.506 0.392 0.373 0.000 0.000 0.000 3/25920 450.0 0.497 0.386 0.367 0.000 0.000 0.000 3/25920 460.0 0.488 0.379 0.360 0.000 0.000 0.000 3/25920 470.0 0.479 0.373 0.354 0.000 0.000 0.000 3/25920 480.0 0.471 0.367 0.348 0.000 0.000 0.000 3/25920 490.0 0.462 0.362 0.343 0.000 0.000 0.000 3/25920 500.0 0.454 0.356 0.337 0.000 0.000 0.000 3/25920 510.0 0.447 0.351 0.332 0.000 0.000 0.000 3/25920 520.0 0.439 0.346 0.327 0.000 0.000 0.000 3/25920 530.0 0.432 0.340 0.322 0.000 0.000 0.000 3/25920 540.0 0.425 0.335 0.317 0.000 0.000 0.000 3/25920 550.0 0.419 0.331 0.312 0.000 0.000 0.000 3/25920 560.0 0.412 0.326 0.308 0.000 0.000 0.000 3/25920 570.0 0.406 0.321 0.303 0.000 0.000 0.000 3/25920 580.0 0.400 0.317 0.299 0.000 0.000 0.000 3/25920 590.0 0.394 0.313 0.295 0.000 0.000 0.000 3/25920 600.0 0.388 0.309 0.291 0.000 0.000 0.000 3/25920 610.0 0.383 0.304 0.287 0.000 0.000 0.000 3/25920 620.0 0.377 0.300 0.283 0.000 0.000 0.000 3/25920 630.0 0.372 0.297 0.279 0.000 0.000 0.000 3/25920 640.0 0.367 0.293 0.275 0.000 0.000 0.000 3/25920 650.0 0.362 0.289 0.272 0.000 0.000 0.000 3/25920 660.0 0.357 0.285 0.268 0.000 0.000 0.000 3/25920 670.0 0.352 0.282 0.265 0.000 0.000 0.000 3/25920 680.0 0.348 0.278 0.261 0.000 0.000 0.000 3/25920 690.0 0.343 0.275 0.258 0.000 0.000 0.000 3/25920 700.0 0.339 0.272 0.255 0.000 0.000 0.000 3/25920 710.0 0.334 0.268 0.252 0.000 0.000 0.000 3/25920 720.0 0.330 0.265 0.249 0.000 0.000 0.000 3/25920 730.0 0.326 0.262 0.246 0.000 0.000 0.000 3/25920 740.0 0.322 0.259 0.243 0.000 0.000 0.000 3/25920 750.0 0.318 0.256 0.240 0.000 0.000 0.000 3/25920 760.0 0.314 0.253 0.237 0.000 0.000 0.000 3/25920 770.0 0.311 0.251 0.235 0.000 0.000 0.000 3/25920 780.0 0.307 0.248 0.232 0.000 0.000 0.000 3/25920 790.0 0.304 0.245 0.229 0.000 0.000 0.000 3/25920 800.0 0.300 0.242 0.227 0.000 0.000 0.000 3/25920 810.0 0.297 0.240 0.224 0.000 0.000 0.000 3/25920 820.0 0.293 0.237 0.222 0.000 0.000 0.000 3/25920 830.0 0.290 0.235 0.220 0.000 0.000 0.000 3/25920 840.0 0.287 0.232 0.217 0.000 0.000 0.000 3/25920 850.0 0.284 0.230 0.215 0.000 0.000 0.000 3/25920 860.0 0.281 0.228 0.213 0.000 0.000 0.000 3/25920 870.0 0.278 0.225 0.211 0.000 0.000 0.000 3/25920 880.0 0.275 0.223 0.208 0.000 0.000 0.000 3/25920 890.0 0.272 0.221 0.206 0.000 0.000 0.000 3/25920 900.0 0.269 0.219 0.204 0.000 0.000 0.000 3/25920 910.0 0.267 0.216 0.202 0.000 0.000 0.000 3/25920 920.0 0.264 0.214 0.200 0.000 0.000 0.000 3/25920 930.0 0.261 0.212 0.198 0.000 0.000 0.000 3/25920 940.0 0.259 0.210 0.196 0.000 0.000 0.000 3/25920 950.0 0.256 0.208 0.194 0.000 0.000 0.000 3/25920 960.0 0.254 0.206 0.193 0.000 0.000 0.000 3/25920 970.0 0.251 0.204 0.191 0.000 0.000 0.000 3/25920 980.0 0.249 0.202 0.189 0.000 0.000 0.000 3/25920 990.0 0.246 0.201 0.187 0.000 0.000 0.000 3/25920 1000.0 0.244 0.199 0.185 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m569.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:00:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|