----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:54:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.559301823826298 -8.406118684999999 0.000000000000000 b 4.559301823826298 8.406118684999999 0.000000000000000 c -3.933048775974835 0.000000000000000 6.180105042142641 Atomic positions (fractional): *1 Si 0.16837080781459 0.52632964008191 0.65460612966097 28.085 2 Si 0.47367035991809 0.83162919218542 0.84539387033903 28.085 3 Si 0.83162919218541 0.47367035991809 0.34539387033903 28.085 4 Si 0.52632964008191 0.16837080781458 0.15460612966097 28.085 *5 As 0.95117381509647 0.55746581241262 0.72134564484351 74.922 6 As 0.44253418758738 0.04882618490353 0.77865435515649 74.922 *7 As 0.67911280822295 0.81035539857870 0.75169312082671 74.922 8 As 0.18964460142130 0.32088719177705 0.74830687917329 74.922 9 As 0.32088719177705 0.18964460142130 0.24830687917329 74.922 10 As 0.81035539857870 0.67911280822295 0.25169312082671 74.922 11 As 0.55746581241262 0.95117381509647 0.22134564484351 74.922 12 As 0.04882618490353 0.44253418758738 0.27865435515649 74.922 *13 Sr 0.94166344373128 0.05833655626872 0.25000000000000 87.620 14 Sr 0.05833655626872 0.94166344373128 0.75000000000000 87.620 *15 Sr 0.56615117761482 0.43384882238519 0.75000000000000 87.620 16 Sr 0.43384882238518 0.56615117761482 0.25000000000000 87.620 *17 Sr 0.81421429424199 0.18578570575801 0.75000000000000 87.620 18 Sr 0.18578570575801 0.81421429424199 0.25000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.118603647652597 0.000000000000000 0.000000000000000 b 0.000000000000000 16.812237369999998 0.000000000000000 c -3.933048775974835 0.000000000000000 6.180105042142641 Atomic positions (fractional): *1 Si 0.84735022394825 0.67897941613366 0.65460612966097 28.085 > 1 2 Si 0.15264977605176 0.67897941613366 0.84539387033903 28.085 > 2 3 Si 0.65264977605175 0.82102058386634 0.34539387033903 28.085 > 3 4 Si 0.34735022394824 0.82102058386634 0.15460612966097 28.085 > 4 5 Si 0.34735022394824 0.17897941613366 0.65460612966097 28.085 > 1 6 Si 0.65264977605175 0.17897941613366 0.84539387033903 28.085 > 2 7 Si 0.15264977605176 0.32102058386634 0.34539387033903 28.085 > 3 8 Si 0.84735022394825 0.32102058386634 0.15460612966097 28.085 > 4 *9 As 0.75431981375455 0.80314599865807 0.72134564484351 74.922 > 5 10 As 0.24568018624546 0.80314599865807 0.77865435515649 74.922 > 6 *11 As 0.24473410340083 0.56562129517788 0.75169312082671 74.922 > 7 12 As 0.75526589659917 0.56562129517788 0.74830687917329 74.922 > 8 13 As 0.25526589659917 0.93437870482212 0.24830687917329 74.922 > 9 14 As 0.74473410340083 0.93437870482212 0.25169312082671 74.922 > 10 15 As 0.25431981375454 0.69685400134193 0.22134564484351 74.922 > 11 16 As 0.74568018624545 0.69685400134193 0.27865435515649 74.922 > 12 17 As 0.25431981375454 0.30314599865807 0.72134564484351 74.922 > 5 18 As 0.74568018624545 0.30314599865807 0.77865435515649 74.922 > 6 19 As 0.74473410340083 0.06562129517788 0.75169312082671 74.922 > 7 20 As 0.25526589659917 0.06562129517788 0.74830687917329 74.922 > 8 21 As 0.75526589659917 0.43437870482212 0.24830687917329 74.922 > 9 22 As 0.24473410340083 0.43437870482212 0.25169312082671 74.922 > 10 23 As 0.75431981375455 0.19685400134193 0.22134564484351 74.922 > 11 24 As 0.24568018624546 0.19685400134193 0.27865435515649 74.922 > 12 *25 Sr 0.50000000000000 0.55833655626872 0.25000000000000 87.620 > 13 26 Sr 0.00000000000000 0.94166344373128 0.75000000000000 87.620 > 14 *27 Sr 0.50000000000000 0.93384882238518 0.75000000000000 87.620 > 15 28 Sr 0.00000000000000 0.56615117761482 0.25000000000000 87.620 > 16 *29 Sr 0.50000000000000 0.68578570575801 0.75000000000000 87.620 > 17 30 Sr 0.00000000000000 0.81421429424199 0.25000000000000 87.620 > 18 31 Sr 0.00000000000000 0.05833655626872 0.25000000000000 87.620 > 13 32 Sr 0.50000000000000 0.44166344373128 0.75000000000000 87.620 > 14 33 Sr 0.00000000000000 0.43384882238519 0.75000000000000 87.620 > 15 34 Sr 0.50000000000000 0.06615117761481 0.25000000000000 87.620 > 16 35 Sr 0.00000000000000 0.18578570575801 0.75000000000000 87.620 > 17 36 Sr 0.50000000000000 0.31421429424199 0.25000000000000 87.620 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.237207295305193 0.000000000000000 0.000000000000000 b 0.000000000000000 16.812237369999998 0.000000000000000 c -7.866097551949670 0.000000000000000 12.360210084285281 Atomic positions (fractional): *1 Si 0.42367511197412 0.67897941613366 0.32730306483048 28.085 > 1 2 Si 0.92367511197412 0.67897941613366 0.32730306483048 28.085 > 1 3 Si 0.42367511197412 0.67897941613366 0.82730306483048 28.085 > 1 4 Si 0.92367511197412 0.67897941613366 0.82730306483048 28.085 > 1 5 Si 0.07632488802588 0.67897941613366 0.42269693516952 28.085 > 2 6 Si 0.57632488802588 0.67897941613366 0.42269693516952 28.085 > 2 7 Si 0.07632488802588 0.67897941613366 0.92269693516952 28.085 > 2 8 Si 0.57632488802588 0.67897941613366 0.92269693516952 28.085 > 2 9 Si 0.32632488802588 0.82102058386634 0.17269693516952 28.085 > 3 10 Si 0.82632488802588 0.82102058386634 0.17269693516952 28.085 > 3 11 Si 0.32632488802588 0.82102058386634 0.67269693516952 28.085 > 3 12 Si 0.82632488802588 0.82102058386634 0.67269693516952 28.085 > 3 13 Si 0.17367511197412 0.82102058386634 0.07730306483049 28.085 > 4 14 Si 0.67367511197412 0.82102058386634 0.07730306483049 28.085 > 4 15 Si 0.17367511197412 0.82102058386634 0.57730306483048 28.085 > 4 16 Si 0.67367511197412 0.82102058386634 0.57730306483048 28.085 > 4 17 Si 0.17367511197412 0.17897941613366 0.32730306483048 28.085 > 1 18 Si 0.67367511197412 0.17897941613366 0.32730306483048 28.085 > 1 19 Si 0.17367511197412 0.17897941613366 0.82730306483048 28.085 > 1 20 Si 0.67367511197412 0.17897941613366 0.82730306483048 28.085 > 1 21 Si 0.32632488802588 0.17897941613366 0.42269693516952 28.085 > 2 22 Si 0.82632488802588 0.17897941613366 0.42269693516952 28.085 > 2 23 Si 0.32632488802588 0.17897941613366 0.92269693516952 28.085 > 2 24 Si 0.82632488802588 0.17897941613366 0.92269693516952 28.085 > 2 25 Si 0.07632488802588 0.32102058386634 0.17269693516952 28.085 > 3 26 Si 0.57632488802588 0.32102058386634 0.17269693516952 28.085 > 3 27 Si 0.07632488802588 0.32102058386634 0.67269693516952 28.085 > 3 28 Si 0.57632488802588 0.32102058386634 0.67269693516952 28.085 > 3 29 Si 0.42367511197412 0.32102058386634 0.07730306483049 28.085 > 4 30 Si 0.92367511197412 0.32102058386634 0.07730306483049 28.085 > 4 31 Si 0.42367511197412 0.32102058386634 0.57730306483048 28.085 > 4 32 Si 0.92367511197412 0.32102058386634 0.57730306483048 28.085 > 4 *33 As 0.37715990687727 0.80314599865807 0.36067282242175 74.922 > 5 34 As 0.87715990687727 0.80314599865807 0.36067282242175 74.922 > 5 35 As 0.37715990687727 0.80314599865807 0.86067282242175 74.922 > 5 36 As 0.87715990687727 0.80314599865807 0.86067282242175 74.922 > 5 37 As 0.12284009312273 0.80314599865807 0.38932717757825 74.922 > 6 38 As 0.62284009312273 0.80314599865807 0.38932717757825 74.922 > 6 39 As 0.12284009312273 0.80314599865807 0.88932717757825 74.922 > 6 40 As 0.62284009312273 0.80314599865807 0.88932717757825 74.922 > 6 *41 As 0.12236705170041 0.56562129517788 0.37584656041335 74.922 > 7 42 As 0.62236705170041 0.56562129517788 0.37584656041335 74.922 > 7 43 As 0.12236705170041 0.56562129517788 0.87584656041335 74.922 > 7 44 As 0.62236705170041 0.56562129517788 0.87584656041335 74.922 > 7 45 As 0.37763294829959 0.56562129517788 0.37415343958665 74.922 > 8 46 As 0.87763294829959 0.56562129517788 0.37415343958665 74.922 > 8 47 As 0.37763294829959 0.56562129517788 0.87415343958665 74.922 > 8 48 As 0.87763294829959 0.56562129517788 0.87415343958665 74.922 > 8 49 As 0.12763294829959 0.93437870482212 0.12415343958665 74.922 > 9 50 As 0.62763294829959 0.93437870482212 0.12415343958665 74.922 > 9 51 As 0.12763294829959 0.93437870482212 0.62415343958665 74.922 > 9 52 As 0.62763294829959 0.93437870482212 0.62415343958665 74.922 > 9 53 As 0.37236705170041 0.93437870482212 0.12584656041335 74.922 > 10 54 As 0.87236705170041 0.93437870482212 0.12584656041335 74.922 > 10 55 As 0.37236705170041 0.93437870482212 0.62584656041335 74.922 > 10 56 As 0.87236705170041 0.93437870482212 0.62584656041335 74.922 > 10 57 As 0.12715990687727 0.69685400134193 0.11067282242175 74.922 > 11 58 As 0.62715990687727 0.69685400134193 0.11067282242175 74.922 > 11 59 As 0.12715990687727 0.69685400134193 0.61067282242175 74.922 > 11 60 As 0.62715990687727 0.69685400134193 0.61067282242175 74.922 > 11 61 As 0.37284009312273 0.69685400134193 0.13932717757825 74.922 > 12 62 As 0.87284009312273 0.69685400134193 0.13932717757825 74.922 > 12 63 As 0.37284009312273 0.69685400134193 0.63932717757825 74.922 > 12 64 As 0.87284009312273 0.69685400134193 0.63932717757825 74.922 > 12 65 As 0.12715990687727 0.30314599865807 0.36067282242175 74.922 > 5 66 As 0.62715990687727 0.30314599865807 0.36067282242175 74.922 > 5 67 As 0.12715990687727 0.30314599865807 0.86067282242175 74.922 > 5 68 As 0.62715990687727 0.30314599865807 0.86067282242175 74.922 > 5 69 As 0.37284009312273 0.30314599865807 0.38932717757825 74.922 > 6 70 As 0.87284009312273 0.30314599865807 0.38932717757825 74.922 > 6 71 As 0.37284009312273 0.30314599865807 0.88932717757825 74.922 > 6 72 As 0.87284009312273 0.30314599865807 0.88932717757825 74.922 > 6 73 As 0.37236705170041 0.06562129517788 0.37584656041335 74.922 > 7 74 As 0.87236705170041 0.06562129517788 0.37584656041335 74.922 > 7 75 As 0.37236705170041 0.06562129517788 0.87584656041335 74.922 > 7 76 As 0.87236705170041 0.06562129517788 0.87584656041335 74.922 > 7 77 As 0.12763294829959 0.06562129517788 0.37415343958665 74.922 > 8 78 As 0.62763294829959 0.06562129517788 0.37415343958665 74.922 > 8 79 As 0.12763294829959 0.06562129517788 0.87415343958665 74.922 > 8 80 As 0.62763294829959 0.06562129517788 0.87415343958665 74.922 > 8 81 As 0.37763294829959 0.43437870482212 0.12415343958665 74.922 > 9 82 As 0.87763294829959 0.43437870482212 0.12415343958665 74.922 > 9 83 As 0.37763294829959 0.43437870482212 0.62415343958665 74.922 > 9 84 As 0.87763294829959 0.43437870482212 0.62415343958665 74.922 > 9 85 As 0.12236705170041 0.43437870482212 0.12584656041335 74.922 > 10 86 As 0.62236705170041 0.43437870482212 0.12584656041335 74.922 > 10 87 As 0.12236705170041 0.43437870482212 0.62584656041335 74.922 > 10 88 As 0.62236705170041 0.43437870482212 0.62584656041335 74.922 > 10 89 As 0.37715990687727 0.19685400134193 0.11067282242175 74.922 > 11 90 As 0.87715990687727 0.19685400134193 0.11067282242175 74.922 > 11 91 As 0.37715990687727 0.19685400134193 0.61067282242175 74.922 > 11 92 As 0.87715990687727 0.19685400134193 0.61067282242175 74.922 > 11 93 As 0.12284009312273 0.19685400134193 0.13932717757825 74.922 > 12 94 As 0.62284009312273 0.19685400134193 0.13932717757825 74.922 > 12 95 As 0.12284009312273 0.19685400134193 0.63932717757825 74.922 > 12 96 As 0.62284009312273 0.19685400134193 0.63932717757825 74.922 > 12 *97 Sr 0.25000000000000 0.55833655626872 0.12500000000000 87.620 > 13 98 Sr 0.75000000000000 0.55833655626872 0.12500000000000 87.620 > 13 99 Sr 0.25000000000000 0.55833655626872 0.62500000000000 87.620 > 13 100 Sr 0.75000000000000 0.55833655626872 0.62500000000000 87.620 > 13 101 Sr 0.00000000000000 0.94166344373128 0.37500000000000 87.620 > 14 102 Sr 0.50000000000000 0.94166344373128 0.37500000000000 87.620 > 14 103 Sr 0.00000000000000 0.94166344373128 0.87500000000000 87.620 > 14 104 Sr 0.50000000000000 0.94166344373128 0.87500000000000 87.620 > 14 *105 Sr 0.25000000000000 0.93384882238518 0.37500000000000 87.620 > 15 106 Sr 0.75000000000000 0.93384882238518 0.37500000000000 87.620 > 15 107 Sr 0.25000000000000 0.93384882238518 0.87500000000000 87.620 > 15 108 Sr 0.75000000000000 0.93384882238518 0.87500000000000 87.620 > 15 109 Sr 0.00000000000000 0.56615117761482 0.12500000000000 87.620 > 16 110 Sr 0.50000000000000 0.56615117761482 0.12500000000000 87.620 > 16 111 Sr 0.00000000000000 0.56615117761482 0.62500000000000 87.620 > 16 112 Sr 0.50000000000000 0.56615117761482 0.62500000000000 87.620 > 16 *113 Sr 0.25000000000000 0.68578570575801 0.37500000000000 87.620 > 17 114 Sr 0.75000000000000 0.68578570575801 0.37500000000000 87.620 > 17 115 Sr 0.25000000000000 0.68578570575801 0.87500000000000 87.620 > 17 116 Sr 0.75000000000000 0.68578570575801 0.87500000000000 87.620 > 17 117 Sr 0.00000000000000 0.81421429424199 0.12500000000000 87.620 > 18 118 Sr 0.50000000000000 0.81421429424199 0.12500000000000 87.620 > 18 119 Sr 0.00000000000000 0.81421429424199 0.62500000000000 87.620 > 18 120 Sr 0.50000000000000 0.81421429424199 0.62500000000000 87.620 > 18 121 Sr 0.00000000000000 0.05833655626872 0.12500000000000 87.620 > 13 122 Sr 0.50000000000000 0.05833655626872 0.12500000000000 87.620 > 13 123 Sr 0.00000000000000 0.05833655626872 0.62500000000000 87.620 > 13 124 Sr 0.50000000000000 0.05833655626872 0.62500000000000 87.620 > 13 125 Sr 0.25000000000000 0.44166344373128 0.37500000000000 87.620 > 14 126 Sr 0.75000000000000 0.44166344373128 0.37500000000000 87.620 > 14 127 Sr 0.25000000000000 0.44166344373128 0.87500000000000 87.620 > 14 128 Sr 0.75000000000000 0.44166344373128 0.87500000000000 87.620 > 14 129 Sr 0.00000000000000 0.43384882238519 0.37500000000000 87.620 > 15 130 Sr 0.50000000000000 0.43384882238519 0.37500000000000 87.620 > 15 131 Sr 0.00000000000000 0.43384882238519 0.87500000000000 87.620 > 15 132 Sr 0.50000000000000 0.43384882238519 0.87500000000000 87.620 > 15 133 Sr 0.25000000000000 0.06615117761481 0.12500000000000 87.620 > 16 134 Sr 0.75000000000000 0.06615117761481 0.12500000000000 87.620 > 16 135 Sr 0.25000000000000 0.06615117761481 0.62500000000000 87.620 > 16 136 Sr 0.75000000000000 0.06615117761481 0.62500000000000 87.620 > 16 137 Sr 0.00000000000000 0.18578570575801 0.37500000000000 87.620 > 17 138 Sr 0.50000000000000 0.18578570575801 0.37500000000000 87.620 > 17 139 Sr 0.00000000000000 0.18578570575801 0.87500000000000 87.620 > 17 140 Sr 0.50000000000000 0.18578570575801 0.87500000000000 87.620 > 17 141 Sr 0.25000000000000 0.31421429424199 0.12500000000000 87.620 > 18 142 Sr 0.75000000000000 0.31421429424199 0.12500000000000 87.620 > 18 143 Sr 0.25000000000000 0.31421429424199 0.62500000000000 87.620 > 18 144 Sr 0.75000000000000 0.31421429424199 0.62500000000000 87.620 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.6555725 0.0000000 -0.1342953 0.0000000 11.0334897 0.0000000 -0.1311818 0.0000000 9.7713557 -------------------------- Born effective charges -------------------------- 1 Si 1.1662237 0.2478734 -0.0687021 0.5856434 2.4605167 -0.9165710 0.0436965 -0.9976137 1.5004977 2 Si 1.1662237 -0.2478734 -0.0687021 -0.5856434 2.4605167 0.9165710 0.0436965 0.9976137 1.5004977 3 Si 1.1662237 0.2478734 -0.0687021 0.5856434 2.4605167 -0.9165710 0.0436965 -0.9976137 1.5004977 4 Si 1.1662237 -0.2478734 -0.0687021 -0.5856434 2.4605167 0.9165710 0.0436965 0.9976137 1.5004977 5 As -2.2466080 0.3032531 0.1858890 0.2068559 -2.6230601 0.2276277 0.1215510 0.2222151 -3.0299157 6 As -2.2466080 -0.3032531 0.1858890 -0.2068559 -2.6230601 -0.2276277 0.1215510 -0.2222151 -3.0299157 7 As -3.0323973 0.6332587 0.0005706 0.8085777 -3.6190389 -0.1988852 0.0780876 -0.3674639 -2.4299547 8 As -3.0323973 -0.6332587 0.0005706 -0.8085777 -3.6190389 0.1988852 0.0780876 0.3674639 -2.4299547 9 As -3.0323973 0.6332587 0.0005706 0.8085777 -3.6190389 -0.1988852 0.0780876 -0.3674639 -2.4299547 10 As -3.0323973 -0.6332587 0.0005706 -0.8085777 -3.6190389 0.1988852 0.0780876 0.3674639 -2.4299547 11 As -2.2466080 -0.3032531 0.1858890 -0.2068559 -2.6230601 -0.2276277 0.1215510 -0.2222151 -3.0299157 12 As -2.2466080 0.3032531 0.1858890 0.2068559 -2.6230601 0.2276277 0.1215510 0.2222151 -3.0299157 13 Sr 2.5649462 0.0000000 0.5030840 0.0000000 3.1285370 0.0000000 0.2020887 0.0000000 2.2930199 14 Sr 2.5649462 0.0000000 0.5030840 0.0000000 3.1285370 0.0000000 0.2020887 0.0000000 2.2930199 15 Sr 2.4691705 0.0000000 -0.3108912 0.0000000 2.8108536 0.0000000 -0.0986924 0.0000000 2.6860957 16 Sr 2.4691705 0.0000000 -0.3108912 0.0000000 2.8108536 0.0000000 -0.0986924 0.0000000 2.6860957 17 Sr 3.1914463 0.0000000 -0.4277078 0.0000000 1.6237741 0.0000000 -0.5900665 0.0000000 2.9396297 18 Sr 3.1914463 0.0000000 -0.4277078 0.0000000 1.6237741 0.0000000 -0.5900665 0.0000000 2.9396297 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 13968/13968 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3060 Number of blocks in projector: 3060 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: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 666 / 666 (1) 159 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 245 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 245 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3060, 3019), data: False |-- (378, 372), data: True |-- (378, 372), data: True |-- (378, 372), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 245), data: True |-- (250, 244), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 245), data: True |-- (250, 244), data: True |-- (666, 655), data: False |-- (666, 7), data: (666, 18) @ (18, 7) |-- (166, 159), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 560 - Time: 1.254 Solver_block: 200 / 560 - Time: 1.395 Solver_block: 300 / 560 - Time: 1.392 Solver_block: 400 / 560 - Time: 1.169 Solver_block: 500 / 560 - Time: 1.416 Solver_block: 560 / 560 - Time: 0.997 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.868 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) Permutation basis: 432/432 Permutation basis: 13968/13968 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3060 Number of blocks in projector: 3060 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: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 666 / 666 (1) 159 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 245 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 245 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3060, 3019), data: False |-- (378, 372), data: True |-- (378, 372), data: True |-- (378, 372), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 245), data: True |-- (250, 244), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 245), data: True |-- (250, 244), data: True |-- (666, 655), data: False |-- (666, 7), data: (666, 18) @ (18, 7) |-- (166, 159), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) 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 2026-01-07 23:55:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:55:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.559301823826298 -8.406118684999999 0.000000000000000 b 4.559301823826298 8.406118684999999 0.000000000000000 c -3.933048775974835 0.000000000000000 6.180105042142641 Atomic positions (fractional): 1 Si 0.16837080781459 0.52632964008191 0.65460612966097 28.085 2 Si 0.47367035991809 0.83162919218542 0.84539387033903 28.085 3 Si 0.83162919218541 0.47367035991809 0.34539387033903 28.085 4 Si 0.52632964008191 0.16837080781458 0.15460612966097 28.085 5 As 0.95117381509647 0.55746581241262 0.72134564484351 74.922 6 As 0.44253418758738 0.04882618490353 0.77865435515649 74.922 7 As 0.67911280822295 0.81035539857870 0.75169312082671 74.922 8 As 0.18964460142130 0.32088719177705 0.74830687917329 74.922 9 As 0.32088719177705 0.18964460142130 0.24830687917329 74.922 10 As 0.81035539857870 0.67911280822295 0.25169312082671 74.922 11 As 0.55746581241262 0.95117381509647 0.22134564484351 74.922 12 As 0.04882618490353 0.44253418758738 0.27865435515649 74.922 13 Sr 0.94166344373128 0.05833655626872 0.25000000000000 87.620 14 Sr 0.05833655626872 0.94166344373128 0.75000000000000 87.620 15 Sr 0.56615117761482 0.43384882238519 0.75000000000000 87.620 16 Sr 0.43384882238518 0.56615117761482 0.25000000000000 87.620 17 Sr 0.81421429424199 0.18578570575801 0.75000000000000 87.620 18 Sr 0.18578570575801 0.81421429424199 0.25000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.237207295305193 0.000000000000000 0.000000000000000 b 0.000000000000000 16.812237369999998 0.000000000000000 c -7.866097551949670 0.000000000000000 12.360210084285281 Atomic positions (fractional): 1 Si 0.42367511197412 0.67897941613366 0.32730306483048 28.085 > 1 2 Si 0.92367511197412 0.67897941613366 0.32730306483048 28.085 > 1 3 Si 0.42367511197412 0.67897941613366 0.82730306483048 28.085 > 1 4 Si 0.92367511197412 0.67897941613366 0.82730306483048 28.085 > 1 5 Si 0.07632488802588 0.67897941613366 0.42269693516952 28.085 > 5 6 Si 0.57632488802588 0.67897941613366 0.42269693516952 28.085 > 5 7 Si 0.07632488802588 0.67897941613366 0.92269693516952 28.085 > 5 8 Si 0.57632488802588 0.67897941613366 0.92269693516952 28.085 > 5 9 Si 0.32632488802588 0.82102058386634 0.17269693516952 28.085 > 9 10 Si 0.82632488802588 0.82102058386634 0.17269693516952 28.085 > 9 11 Si 0.32632488802588 0.82102058386634 0.67269693516952 28.085 > 9 12 Si 0.82632488802588 0.82102058386634 0.67269693516952 28.085 > 9 13 Si 0.17367511197412 0.82102058386634 0.07730306483049 28.085 > 13 14 Si 0.67367511197412 0.82102058386634 0.07730306483049 28.085 > 13 15 Si 0.17367511197412 0.82102058386634 0.57730306483048 28.085 > 13 16 Si 0.67367511197412 0.82102058386634 0.57730306483048 28.085 > 13 17 Si 0.17367511197412 0.17897941613366 0.32730306483048 28.085 > 1 18 Si 0.67367511197412 0.17897941613366 0.32730306483048 28.085 > 1 19 Si 0.17367511197412 0.17897941613366 0.82730306483048 28.085 > 1 20 Si 0.67367511197412 0.17897941613366 0.82730306483048 28.085 > 1 21 Si 0.32632488802588 0.17897941613366 0.42269693516952 28.085 > 5 22 Si 0.82632488802588 0.17897941613366 0.42269693516952 28.085 > 5 23 Si 0.32632488802588 0.17897941613366 0.92269693516952 28.085 > 5 24 Si 0.82632488802588 0.17897941613366 0.92269693516952 28.085 > 5 25 Si 0.07632488802588 0.32102058386634 0.17269693516952 28.085 > 9 26 Si 0.57632488802588 0.32102058386634 0.17269693516952 28.085 > 9 27 Si 0.07632488802588 0.32102058386634 0.67269693516952 28.085 > 9 28 Si 0.57632488802588 0.32102058386634 0.67269693516952 28.085 > 9 29 Si 0.42367511197412 0.32102058386634 0.07730306483049 28.085 > 13 30 Si 0.92367511197412 0.32102058386634 0.07730306483049 28.085 > 13 31 Si 0.42367511197412 0.32102058386634 0.57730306483048 28.085 > 13 32 Si 0.92367511197412 0.32102058386634 0.57730306483048 28.085 > 13 33 As 0.37715990687727 0.80314599865807 0.36067282242175 74.922 > 33 34 As 0.87715990687727 0.80314599865807 0.36067282242175 74.922 > 33 35 As 0.37715990687727 0.80314599865807 0.86067282242175 74.922 > 33 36 As 0.87715990687727 0.80314599865807 0.86067282242175 74.922 > 33 37 As 0.12284009312273 0.80314599865807 0.38932717757825 74.922 > 37 38 As 0.62284009312273 0.80314599865807 0.38932717757825 74.922 > 37 39 As 0.12284009312273 0.80314599865807 0.88932717757825 74.922 > 37 40 As 0.62284009312273 0.80314599865807 0.88932717757825 74.922 > 37 41 As 0.12236705170041 0.56562129517788 0.37584656041335 74.922 > 41 42 As 0.62236705170041 0.56562129517788 0.37584656041335 74.922 > 41 43 As 0.12236705170041 0.56562129517788 0.87584656041335 74.922 > 41 44 As 0.62236705170041 0.56562129517788 0.87584656041335 74.922 > 41 45 As 0.37763294829959 0.56562129517788 0.37415343958665 74.922 > 45 46 As 0.87763294829959 0.56562129517788 0.37415343958665 74.922 > 45 47 As 0.37763294829959 0.56562129517788 0.87415343958665 74.922 > 45 48 As 0.87763294829959 0.56562129517788 0.87415343958665 74.922 > 45 49 As 0.12763294829959 0.93437870482212 0.12415343958665 74.922 > 49 50 As 0.62763294829959 0.93437870482212 0.12415343958665 74.922 > 49 51 As 0.12763294829959 0.93437870482212 0.62415343958665 74.922 > 49 52 As 0.62763294829959 0.93437870482212 0.62415343958665 74.922 > 49 53 As 0.37236705170041 0.93437870482212 0.12584656041335 74.922 > 53 54 As 0.87236705170041 0.93437870482212 0.12584656041335 74.922 > 53 55 As 0.37236705170041 0.93437870482212 0.62584656041335 74.922 > 53 56 As 0.87236705170041 0.93437870482212 0.62584656041335 74.922 > 53 57 As 0.12715990687727 0.69685400134193 0.11067282242175 74.922 > 57 58 As 0.62715990687727 0.69685400134193 0.11067282242175 74.922 > 57 59 As 0.12715990687727 0.69685400134193 0.61067282242175 74.922 > 57 60 As 0.62715990687727 0.69685400134193 0.61067282242175 74.922 > 57 61 As 0.37284009312273 0.69685400134193 0.13932717757825 74.922 > 61 62 As 0.87284009312273 0.69685400134193 0.13932717757825 74.922 > 61 63 As 0.37284009312273 0.69685400134193 0.63932717757825 74.922 > 61 64 As 0.87284009312273 0.69685400134193 0.63932717757825 74.922 > 61 65 As 0.12715990687727 0.30314599865807 0.36067282242175 74.922 > 33 66 As 0.62715990687727 0.30314599865807 0.36067282242175 74.922 > 33 67 As 0.12715990687727 0.30314599865807 0.86067282242175 74.922 > 33 68 As 0.62715990687727 0.30314599865807 0.86067282242175 74.922 > 33 69 As 0.37284009312273 0.30314599865807 0.38932717757825 74.922 > 37 70 As 0.87284009312273 0.30314599865807 0.38932717757825 74.922 > 37 71 As 0.37284009312273 0.30314599865807 0.88932717757825 74.922 > 37 72 As 0.87284009312273 0.30314599865807 0.88932717757825 74.922 > 37 73 As 0.37236705170041 0.06562129517788 0.37584656041335 74.922 > 41 74 As 0.87236705170041 0.06562129517788 0.37584656041335 74.922 > 41 75 As 0.37236705170041 0.06562129517788 0.87584656041335 74.922 > 41 76 As 0.87236705170041 0.06562129517788 0.87584656041335 74.922 > 41 77 As 0.12763294829959 0.06562129517788 0.37415343958665 74.922 > 45 78 As 0.62763294829959 0.06562129517788 0.37415343958665 74.922 > 45 79 As 0.12763294829959 0.06562129517788 0.87415343958665 74.922 > 45 80 As 0.62763294829959 0.06562129517788 0.87415343958665 74.922 > 45 81 As 0.37763294829959 0.43437870482212 0.12415343958665 74.922 > 49 82 As 0.87763294829959 0.43437870482212 0.12415343958665 74.922 > 49 83 As 0.37763294829959 0.43437870482212 0.62415343958665 74.922 > 49 84 As 0.87763294829959 0.43437870482212 0.62415343958665 74.922 > 49 85 As 0.12236705170041 0.43437870482212 0.12584656041335 74.922 > 53 86 As 0.62236705170041 0.43437870482212 0.12584656041335 74.922 > 53 87 As 0.12236705170041 0.43437870482212 0.62584656041335 74.922 > 53 88 As 0.62236705170041 0.43437870482212 0.62584656041335 74.922 > 53 89 As 0.37715990687727 0.19685400134193 0.11067282242175 74.922 > 57 90 As 0.87715990687727 0.19685400134193 0.11067282242175 74.922 > 57 91 As 0.37715990687727 0.19685400134193 0.61067282242175 74.922 > 57 92 As 0.87715990687727 0.19685400134193 0.61067282242175 74.922 > 57 93 As 0.12284009312273 0.19685400134193 0.13932717757825 74.922 > 61 94 As 0.62284009312273 0.19685400134193 0.13932717757825 74.922 > 61 95 As 0.12284009312273 0.19685400134193 0.63932717757825 74.922 > 61 96 As 0.62284009312273 0.19685400134193 0.63932717757825 74.922 > 61 97 Sr 0.25000000000000 0.55833655626872 0.12500000000000 87.620 > 97 98 Sr 0.75000000000000 0.55833655626872 0.12500000000000 87.620 > 97 99 Sr 0.25000000000000 0.55833655626872 0.62500000000000 87.620 > 97 100 Sr 0.75000000000000 0.55833655626872 0.62500000000000 87.620 > 97 101 Sr 0.00000000000000 0.94166344373128 0.37500000000000 87.620 > 101 102 Sr 0.50000000000000 0.94166344373128 0.37500000000000 87.620 > 101 103 Sr 0.00000000000000 0.94166344373128 0.87500000000000 87.620 > 101 104 Sr 0.50000000000000 0.94166344373128 0.87500000000000 87.620 > 101 105 Sr 0.25000000000000 0.93384882238518 0.37500000000000 87.620 > 105 106 Sr 0.75000000000000 0.93384882238518 0.37500000000000 87.620 > 105 107 Sr 0.25000000000000 0.93384882238518 0.87500000000000 87.620 > 105 108 Sr 0.75000000000000 0.93384882238518 0.87500000000000 87.620 > 105 109 Sr 0.00000000000000 0.56615117761482 0.12500000000000 87.620 > 109 110 Sr 0.50000000000000 0.56615117761482 0.12500000000000 87.620 > 109 111 Sr 0.00000000000000 0.56615117761482 0.62500000000000 87.620 > 109 112 Sr 0.50000000000000 0.56615117761482 0.62500000000000 87.620 > 109 113 Sr 0.25000000000000 0.68578570575801 0.37500000000000 87.620 > 113 114 Sr 0.75000000000000 0.68578570575801 0.37500000000000 87.620 > 113 115 Sr 0.25000000000000 0.68578570575801 0.87500000000000 87.620 > 113 116 Sr 0.75000000000000 0.68578570575801 0.87500000000000 87.620 > 113 117 Sr 0.00000000000000 0.81421429424199 0.12500000000000 87.620 > 117 118 Sr 0.50000000000000 0.81421429424199 0.12500000000000 87.620 > 117 119 Sr 0.00000000000000 0.81421429424199 0.62500000000000 87.620 > 117 120 Sr 0.50000000000000 0.81421429424199 0.62500000000000 87.620 > 117 121 Sr 0.00000000000000 0.05833655626872 0.12500000000000 87.620 > 97 122 Sr 0.50000000000000 0.05833655626872 0.12500000000000 87.620 > 97 123 Sr 0.00000000000000 0.05833655626872 0.62500000000000 87.620 > 97 124 Sr 0.50000000000000 0.05833655626872 0.62500000000000 87.620 > 97 125 Sr 0.25000000000000 0.44166344373128 0.37500000000000 87.620 > 101 126 Sr 0.75000000000000 0.44166344373128 0.37500000000000 87.620 > 101 127 Sr 0.25000000000000 0.44166344373128 0.87500000000000 87.620 > 101 128 Sr 0.75000000000000 0.44166344373128 0.87500000000000 87.620 > 101 129 Sr 0.00000000000000 0.43384882238519 0.37500000000000 87.620 > 105 130 Sr 0.50000000000000 0.43384882238519 0.37500000000000 87.620 > 105 131 Sr 0.00000000000000 0.43384882238519 0.87500000000000 87.620 > 105 132 Sr 0.50000000000000 0.43384882238519 0.87500000000000 87.620 > 105 133 Sr 0.25000000000000 0.06615117761481 0.12500000000000 87.620 > 109 134 Sr 0.75000000000000 0.06615117761481 0.12500000000000 87.620 > 109 135 Sr 0.25000000000000 0.06615117761481 0.62500000000000 87.620 > 109 136 Sr 0.75000000000000 0.06615117761481 0.62500000000000 87.620 > 109 137 Sr 0.00000000000000 0.18578570575801 0.37500000000000 87.620 > 113 138 Sr 0.50000000000000 0.18578570575801 0.37500000000000 87.620 > 113 139 Sr 0.00000000000000 0.18578570575801 0.87500000000000 87.620 > 113 140 Sr 0.50000000000000 0.18578570575801 0.87500000000000 87.620 > 113 141 Sr 0.25000000000000 0.31421429424199 0.12500000000000 87.620 > 117 142 Sr 0.75000000000000 0.31421429424199 0.12500000000000 87.620 > 117 143 Sr 0.25000000000000 0.31421429424199 0.62500000000000 87.620 > 117 144 Sr 0.75000000000000 0.31421429424199 0.62500000000000 87.620 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.6555725 0.0000000 -0.1342953 0.0000000 11.0334897 0.0000000 -0.1311818 0.0000000 9.7713557 -------------------------- Born effective charges -------------------------- 1 Si 1.1662237 0.2478734 -0.0687021 0.5856434 2.4605167 -0.9165710 0.0436965 -0.9976137 1.5004977 2 Si 1.1662237 -0.2478734 -0.0687021 -0.5856434 2.4605167 0.9165710 0.0436965 0.9976137 1.5004977 3 Si 1.1662237 0.2478734 -0.0687021 0.5856434 2.4605167 -0.9165710 0.0436965 -0.9976137 1.5004977 4 Si 1.1662237 -0.2478734 -0.0687021 -0.5856434 2.4605167 0.9165710 0.0436965 0.9976137 1.5004977 5 As -2.2466080 0.3032531 0.1858890 0.2068559 -2.6230601 0.2276277 0.1215510 0.2222151 -3.0299157 6 As -2.2466080 -0.3032531 0.1858890 -0.2068559 -2.6230601 -0.2276277 0.1215510 -0.2222151 -3.0299157 7 As -3.0323973 0.6332587 0.0005706 0.8085777 -3.6190389 -0.1988852 0.0780876 -0.3674639 -2.4299547 8 As -3.0323973 -0.6332587 0.0005706 -0.8085777 -3.6190389 0.1988852 0.0780876 0.3674639 -2.4299547 9 As -3.0323973 0.6332587 0.0005706 0.8085777 -3.6190389 -0.1988852 0.0780876 -0.3674639 -2.4299547 10 As -3.0323973 -0.6332587 0.0005706 -0.8085777 -3.6190389 0.1988852 0.0780876 0.3674639 -2.4299547 11 As -2.2466080 -0.3032531 0.1858890 -0.2068559 -2.6230601 -0.2276277 0.1215510 -0.2222151 -3.0299157 12 As -2.2466080 0.3032531 0.1858890 0.2068559 -2.6230601 0.2276277 0.1215510 0.2222151 -3.0299157 13 Sr 2.5649462 0.0000000 0.5030840 0.0000000 3.1285370 0.0000000 0.2020887 0.0000000 2.2930199 14 Sr 2.5649462 0.0000000 0.5030840 0.0000000 3.1285370 0.0000000 0.2020887 0.0000000 2.2930199 15 Sr 2.4691705 0.0000000 -0.3108912 0.0000000 2.8108536 0.0000000 -0.0986924 0.0000000 2.6860957 16 Sr 2.4691705 0.0000000 -0.3108912 0.0000000 2.8108536 0.0000000 -0.0986924 0.0000000 2.6860957 17 Sr 3.1914463 0.0000000 -0.4277078 0.0000000 1.6237741 0.0000000 -0.5900665 0.0000000 2.9396297 18 Sr 3.1914463 0.0000000 -0.4277078 0.0000000 1.6237741 0.0000000 -0.5900665 0.0000000 2.9396297 ---------------------------------------------------------------------------- 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 2026-01-07 23:56:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:56:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.559301823826298 -8.406118684999999 0.000000000000000 b 4.559301823826298 8.406118684999999 0.000000000000000 c -3.933048775974835 0.000000000000000 6.180105042142641 Atomic positions (fractional): 1 Si 0.16837080781459 0.52632964008191 0.65460612966097 28.085 2 Si 0.47367035991809 0.83162919218542 0.84539387033903 28.085 3 Si 0.83162919218541 0.47367035991809 0.34539387033903 28.085 4 Si 0.52632964008191 0.16837080781458 0.15460612966097 28.085 5 As 0.95117381509647 0.55746581241262 0.72134564484351 74.922 6 As 0.44253418758738 0.04882618490353 0.77865435515649 74.922 7 As 0.67911280822295 0.81035539857870 0.75169312082671 74.922 8 As 0.18964460142130 0.32088719177705 0.74830687917329 74.922 9 As 0.32088719177705 0.18964460142130 0.24830687917329 74.922 10 As 0.81035539857870 0.67911280822295 0.25169312082671 74.922 11 As 0.55746581241262 0.95117381509647 0.22134564484351 74.922 12 As 0.04882618490353 0.44253418758738 0.27865435515649 74.922 13 Sr 0.94166344373128 0.05833655626872 0.25000000000000 87.620 14 Sr 0.05833655626872 0.94166344373128 0.75000000000000 87.620 15 Sr 0.56615117761482 0.43384882238519 0.75000000000000 87.620 16 Sr 0.43384882238518 0.56615117761482 0.25000000000000 87.620 17 Sr 0.81421429424199 0.18578570575801 0.75000000000000 87.620 18 Sr 0.18578570575801 0.81421429424199 0.25000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.237207295305193 0.000000000000000 0.000000000000000 b 0.000000000000000 16.812237369999998 0.000000000000000 c -7.866097551949670 0.000000000000000 12.360210084285281 Atomic positions (fractional): 1 Si 0.42367511197412 0.67897941613366 0.32730306483048 28.085 > 1 2 Si 0.92367511197412 0.67897941613366 0.32730306483048 28.085 > 1 3 Si 0.42367511197412 0.67897941613366 0.82730306483048 28.085 > 1 4 Si 0.92367511197412 0.67897941613366 0.82730306483048 28.085 > 1 5 Si 0.07632488802588 0.67897941613366 0.42269693516952 28.085 > 5 6 Si 0.57632488802588 0.67897941613366 0.42269693516952 28.085 > 5 7 Si 0.07632488802588 0.67897941613366 0.92269693516952 28.085 > 5 8 Si 0.57632488802588 0.67897941613366 0.92269693516952 28.085 > 5 9 Si 0.32632488802588 0.82102058386634 0.17269693516952 28.085 > 9 10 Si 0.82632488802588 0.82102058386634 0.17269693516952 28.085 > 9 11 Si 0.32632488802588 0.82102058386634 0.67269693516952 28.085 > 9 12 Si 0.82632488802588 0.82102058386634 0.67269693516952 28.085 > 9 13 Si 0.17367511197412 0.82102058386634 0.07730306483049 28.085 > 13 14 Si 0.67367511197412 0.82102058386634 0.07730306483049 28.085 > 13 15 Si 0.17367511197412 0.82102058386634 0.57730306483048 28.085 > 13 16 Si 0.67367511197412 0.82102058386634 0.57730306483048 28.085 > 13 17 Si 0.17367511197412 0.17897941613366 0.32730306483048 28.085 > 1 18 Si 0.67367511197412 0.17897941613366 0.32730306483048 28.085 > 1 19 Si 0.17367511197412 0.17897941613366 0.82730306483048 28.085 > 1 20 Si 0.67367511197412 0.17897941613366 0.82730306483048 28.085 > 1 21 Si 0.32632488802588 0.17897941613366 0.42269693516952 28.085 > 5 22 Si 0.82632488802588 0.17897941613366 0.42269693516952 28.085 > 5 23 Si 0.32632488802588 0.17897941613366 0.92269693516952 28.085 > 5 24 Si 0.82632488802588 0.17897941613366 0.92269693516952 28.085 > 5 25 Si 0.07632488802588 0.32102058386634 0.17269693516952 28.085 > 9 26 Si 0.57632488802588 0.32102058386634 0.17269693516952 28.085 > 9 27 Si 0.07632488802588 0.32102058386634 0.67269693516952 28.085 > 9 28 Si 0.57632488802588 0.32102058386634 0.67269693516952 28.085 > 9 29 Si 0.42367511197412 0.32102058386634 0.07730306483049 28.085 > 13 30 Si 0.92367511197412 0.32102058386634 0.07730306483049 28.085 > 13 31 Si 0.42367511197412 0.32102058386634 0.57730306483048 28.085 > 13 32 Si 0.92367511197412 0.32102058386634 0.57730306483048 28.085 > 13 33 As 0.37715990687727 0.80314599865807 0.36067282242175 74.922 > 33 34 As 0.87715990687727 0.80314599865807 0.36067282242175 74.922 > 33 35 As 0.37715990687727 0.80314599865807 0.86067282242175 74.922 > 33 36 As 0.87715990687727 0.80314599865807 0.86067282242175 74.922 > 33 37 As 0.12284009312273 0.80314599865807 0.38932717757825 74.922 > 37 38 As 0.62284009312273 0.80314599865807 0.38932717757825 74.922 > 37 39 As 0.12284009312273 0.80314599865807 0.88932717757825 74.922 > 37 40 As 0.62284009312273 0.80314599865807 0.88932717757825 74.922 > 37 41 As 0.12236705170041 0.56562129517788 0.37584656041335 74.922 > 41 42 As 0.62236705170041 0.56562129517788 0.37584656041335 74.922 > 41 43 As 0.12236705170041 0.56562129517788 0.87584656041335 74.922 > 41 44 As 0.62236705170041 0.56562129517788 0.87584656041335 74.922 > 41 45 As 0.37763294829959 0.56562129517788 0.37415343958665 74.922 > 45 46 As 0.87763294829959 0.56562129517788 0.37415343958665 74.922 > 45 47 As 0.37763294829959 0.56562129517788 0.87415343958665 74.922 > 45 48 As 0.87763294829959 0.56562129517788 0.87415343958665 74.922 > 45 49 As 0.12763294829959 0.93437870482212 0.12415343958665 74.922 > 49 50 As 0.62763294829959 0.93437870482212 0.12415343958665 74.922 > 49 51 As 0.12763294829959 0.93437870482212 0.62415343958665 74.922 > 49 52 As 0.62763294829959 0.93437870482212 0.62415343958665 74.922 > 49 53 As 0.37236705170041 0.93437870482212 0.12584656041335 74.922 > 53 54 As 0.87236705170041 0.93437870482212 0.12584656041335 74.922 > 53 55 As 0.37236705170041 0.93437870482212 0.62584656041335 74.922 > 53 56 As 0.87236705170041 0.93437870482212 0.62584656041335 74.922 > 53 57 As 0.12715990687727 0.69685400134193 0.11067282242175 74.922 > 57 58 As 0.62715990687727 0.69685400134193 0.11067282242175 74.922 > 57 59 As 0.12715990687727 0.69685400134193 0.61067282242175 74.922 > 57 60 As 0.62715990687727 0.69685400134193 0.61067282242175 74.922 > 57 61 As 0.37284009312273 0.69685400134193 0.13932717757825 74.922 > 61 62 As 0.87284009312273 0.69685400134193 0.13932717757825 74.922 > 61 63 As 0.37284009312273 0.69685400134193 0.63932717757825 74.922 > 61 64 As 0.87284009312273 0.69685400134193 0.63932717757825 74.922 > 61 65 As 0.12715990687727 0.30314599865807 0.36067282242175 74.922 > 33 66 As 0.62715990687727 0.30314599865807 0.36067282242175 74.922 > 33 67 As 0.12715990687727 0.30314599865807 0.86067282242175 74.922 > 33 68 As 0.62715990687727 0.30314599865807 0.86067282242175 74.922 > 33 69 As 0.37284009312273 0.30314599865807 0.38932717757825 74.922 > 37 70 As 0.87284009312273 0.30314599865807 0.38932717757825 74.922 > 37 71 As 0.37284009312273 0.30314599865807 0.88932717757825 74.922 > 37 72 As 0.87284009312273 0.30314599865807 0.88932717757825 74.922 > 37 73 As 0.37236705170041 0.06562129517788 0.37584656041335 74.922 > 41 74 As 0.87236705170041 0.06562129517788 0.37584656041335 74.922 > 41 75 As 0.37236705170041 0.06562129517788 0.87584656041335 74.922 > 41 76 As 0.87236705170041 0.06562129517788 0.87584656041335 74.922 > 41 77 As 0.12763294829959 0.06562129517788 0.37415343958665 74.922 > 45 78 As 0.62763294829959 0.06562129517788 0.37415343958665 74.922 > 45 79 As 0.12763294829959 0.06562129517788 0.87415343958665 74.922 > 45 80 As 0.62763294829959 0.06562129517788 0.87415343958665 74.922 > 45 81 As 0.37763294829959 0.43437870482212 0.12415343958665 74.922 > 49 82 As 0.87763294829959 0.43437870482212 0.12415343958665 74.922 > 49 83 As 0.37763294829959 0.43437870482212 0.62415343958665 74.922 > 49 84 As 0.87763294829959 0.43437870482212 0.62415343958665 74.922 > 49 85 As 0.12236705170041 0.43437870482212 0.12584656041335 74.922 > 53 86 As 0.62236705170041 0.43437870482212 0.12584656041335 74.922 > 53 87 As 0.12236705170041 0.43437870482212 0.62584656041335 74.922 > 53 88 As 0.62236705170041 0.43437870482212 0.62584656041335 74.922 > 53 89 As 0.37715990687727 0.19685400134193 0.11067282242175 74.922 > 57 90 As 0.87715990687727 0.19685400134193 0.11067282242175 74.922 > 57 91 As 0.37715990687727 0.19685400134193 0.61067282242175 74.922 > 57 92 As 0.87715990687727 0.19685400134193 0.61067282242175 74.922 > 57 93 As 0.12284009312273 0.19685400134193 0.13932717757825 74.922 > 61 94 As 0.62284009312273 0.19685400134193 0.13932717757825 74.922 > 61 95 As 0.12284009312273 0.19685400134193 0.63932717757825 74.922 > 61 96 As 0.62284009312273 0.19685400134193 0.63932717757825 74.922 > 61 97 Sr 0.25000000000000 0.55833655626872 0.12500000000000 87.620 > 97 98 Sr 0.75000000000000 0.55833655626872 0.12500000000000 87.620 > 97 99 Sr 0.25000000000000 0.55833655626872 0.62500000000000 87.620 > 97 100 Sr 0.75000000000000 0.55833655626872 0.62500000000000 87.620 > 97 101 Sr 0.00000000000000 0.94166344373128 0.37500000000000 87.620 > 101 102 Sr 0.50000000000000 0.94166344373128 0.37500000000000 87.620 > 101 103 Sr 0.00000000000000 0.94166344373128 0.87500000000000 87.620 > 101 104 Sr 0.50000000000000 0.94166344373128 0.87500000000000 87.620 > 101 105 Sr 0.25000000000000 0.93384882238518 0.37500000000000 87.620 > 105 106 Sr 0.75000000000000 0.93384882238518 0.37500000000000 87.620 > 105 107 Sr 0.25000000000000 0.93384882238518 0.87500000000000 87.620 > 105 108 Sr 0.75000000000000 0.93384882238518 0.87500000000000 87.620 > 105 109 Sr 0.00000000000000 0.56615117761482 0.12500000000000 87.620 > 109 110 Sr 0.50000000000000 0.56615117761482 0.12500000000000 87.620 > 109 111 Sr 0.00000000000000 0.56615117761482 0.62500000000000 87.620 > 109 112 Sr 0.50000000000000 0.56615117761482 0.62500000000000 87.620 > 109 113 Sr 0.25000000000000 0.68578570575801 0.37500000000000 87.620 > 113 114 Sr 0.75000000000000 0.68578570575801 0.37500000000000 87.620 > 113 115 Sr 0.25000000000000 0.68578570575801 0.87500000000000 87.620 > 113 116 Sr 0.75000000000000 0.68578570575801 0.87500000000000 87.620 > 113 117 Sr 0.00000000000000 0.81421429424199 0.12500000000000 87.620 > 117 118 Sr 0.50000000000000 0.81421429424199 0.12500000000000 87.620 > 117 119 Sr 0.00000000000000 0.81421429424199 0.62500000000000 87.620 > 117 120 Sr 0.50000000000000 0.81421429424199 0.62500000000000 87.620 > 117 121 Sr 0.00000000000000 0.05833655626872 0.12500000000000 87.620 > 97 122 Sr 0.50000000000000 0.05833655626872 0.12500000000000 87.620 > 97 123 Sr 0.00000000000000 0.05833655626872 0.62500000000000 87.620 > 97 124 Sr 0.50000000000000 0.05833655626872 0.62500000000000 87.620 > 97 125 Sr 0.25000000000000 0.44166344373128 0.37500000000000 87.620 > 101 126 Sr 0.75000000000000 0.44166344373128 0.37500000000000 87.620 > 101 127 Sr 0.25000000000000 0.44166344373128 0.87500000000000 87.620 > 101 128 Sr 0.75000000000000 0.44166344373128 0.87500000000000 87.620 > 101 129 Sr 0.00000000000000 0.43384882238519 0.37500000000000 87.620 > 105 130 Sr 0.50000000000000 0.43384882238519 0.37500000000000 87.620 > 105 131 Sr 0.00000000000000 0.43384882238519 0.87500000000000 87.620 > 105 132 Sr 0.50000000000000 0.43384882238519 0.87500000000000 87.620 > 105 133 Sr 0.25000000000000 0.06615117761481 0.12500000000000 87.620 > 109 134 Sr 0.75000000000000 0.06615117761481 0.12500000000000 87.620 > 109 135 Sr 0.25000000000000 0.06615117761481 0.62500000000000 87.620 > 109 136 Sr 0.75000000000000 0.06615117761481 0.62500000000000 87.620 > 109 137 Sr 0.00000000000000 0.18578570575801 0.37500000000000 87.620 > 113 138 Sr 0.50000000000000 0.18578570575801 0.37500000000000 87.620 > 113 139 Sr 0.00000000000000 0.18578570575801 0.87500000000000 87.620 > 113 140 Sr 0.50000000000000 0.18578570575801 0.87500000000000 87.620 > 113 141 Sr 0.25000000000000 0.31421429424199 0.12500000000000 87.620 > 117 142 Sr 0.75000000000000 0.31421429424199 0.12500000000000 87.620 > 117 143 Sr 0.25000000000000 0.31421429424199 0.62500000000000 87.620 > 117 144 Sr 0.75000000000000 0.31421429424199 0.62500000000000 87.620 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.6555725 0.0000000 -0.1342953 0.0000000 11.0334897 0.0000000 -0.1311818 0.0000000 9.7713557 -------------------------- Born effective charges -------------------------- 1 Si 1.1662237 0.2478734 -0.0687021 0.5856434 2.4605167 -0.9165710 0.0436965 -0.9976137 1.5004977 2 Si 1.1662237 -0.2478734 -0.0687021 -0.5856434 2.4605167 0.9165710 0.0436965 0.9976137 1.5004977 3 Si 1.1662237 0.2478734 -0.0687021 0.5856434 2.4605167 -0.9165710 0.0436965 -0.9976137 1.5004977 4 Si 1.1662237 -0.2478734 -0.0687021 -0.5856434 2.4605167 0.9165710 0.0436965 0.9976137 1.5004977 5 As -2.2466080 0.3032531 0.1858890 0.2068559 -2.6230601 0.2276277 0.1215510 0.2222151 -3.0299157 6 As -2.2466080 -0.3032531 0.1858890 -0.2068559 -2.6230601 -0.2276277 0.1215510 -0.2222151 -3.0299157 7 As -3.0323973 0.6332587 0.0005706 0.8085777 -3.6190389 -0.1988852 0.0780876 -0.3674639 -2.4299547 8 As -3.0323973 -0.6332587 0.0005706 -0.8085777 -3.6190389 0.1988852 0.0780876 0.3674639 -2.4299547 9 As -3.0323973 0.6332587 0.0005706 0.8085777 -3.6190389 -0.1988852 0.0780876 -0.3674639 -2.4299547 10 As -3.0323973 -0.6332587 0.0005706 -0.8085777 -3.6190389 0.1988852 0.0780876 0.3674639 -2.4299547 11 As -2.2466080 -0.3032531 0.1858890 -0.2068559 -2.6230601 -0.2276277 0.1215510 -0.2222151 -3.0299157 12 As -2.2466080 0.3032531 0.1858890 0.2068559 -2.6230601 0.2276277 0.1215510 0.2222151 -3.0299157 13 Sr 2.5649462 0.0000000 0.5030840 0.0000000 3.1285370 0.0000000 0.2020887 0.0000000 2.2930199 14 Sr 2.5649462 0.0000000 0.5030840 0.0000000 3.1285370 0.0000000 0.2020887 0.0000000 2.2930199 15 Sr 2.4691705 0.0000000 -0.3108912 0.0000000 2.8108536 0.0000000 -0.0986924 0.0000000 2.6860957 16 Sr 2.4691705 0.0000000 -0.3108912 0.0000000 2.8108536 0.0000000 -0.0986924 0.0000000 2.6860957 17 Sr 3.1914463 0.0000000 -0.4277078 0.0000000 1.6237741 0.0000000 -0.5900665 0.0000000 2.9396297 18 Sr 3.1914463 0.0000000 -0.4277078 0.0000000 1.6237741 0.0000000 -0.5900665 0.0000000 2.9396297 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- 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 ... [ 7 7 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 295, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 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 1.525 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 1.979 ( 0.000 0.000 0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.414 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.853 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 4.011 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.259 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 7.401 ( 0.000 0.000 0.000) 0.000 8.837 ( 0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 0.000) 0.000 10.507 ( 0.000 0.000 0.000) 0.000 10.582 ( 0.000 0.000 0.000) 0.000 10.718 ( 0.000 0.000 0.000) 0.000 10.777 ( 0.000 0.000 0.000) 0.000 11.534 ( 0.000 0.000 0.000) 0.000 11.702 ( 0.000 0.000 0.000) 0.000 13.891 ( 0.000 0.000 0.000) 0.000 13.900 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 24.028 -2.711 9.960) 26.151 0.617 ( 17.476 -8.453 26.192) 32.602 0.919 ( 36.089 -24.655 12.161) 45.368 1.640 ( 10.503 -0.892 2.680) 10.876 1.921 ( -0.873 -3.411 -4.131) 5.428 2.023 ( 2.443 1.172 4.485) 5.240 2.086 ( 0.515 -3.629 4.479) 5.788 2.464 ( -4.221 2.389 0.674) 4.897 2.532 ( -3.393 0.902 -0.643) 3.569 2.542 ( -10.319 -2.573 -1.224) 10.705 2.599 ( -1.159 0.767 0.222) 1.408 2.643 ( -8.760 -4.140 0.548) 9.704 2.804 ( 0.426 0.768 0.386) 0.959 2.844 ( 5.595 2.629 -5.296) 8.140 2.920 ( -1.696 9.062 -3.418) 9.833 3.074 ( -2.628 0.727 -6.522) 7.069 3.145 ( -4.649 1.788 -3.921) 6.339 3.215 ( 2.295 -0.262 3.889) 4.523 3.386 ( 2.301 -2.060 -12.832) 13.198 3.545 ( 6.308 1.882 -2.313) 6.978 3.567 ( -2.544 3.327 2.096) 4.683 3.602 ( -1.876 -0.812 -0.971) 2.264 3.610 ( 1.202 0.138 0.377) 1.267 3.708 ( -6.380 -2.681 -4.313) 8.154 4.016 ( -1.070 1.069 4.715) 4.951 4.027 ( 3.102 4.505 0.590) 5.501 4.076 ( -5.243 1.588 5.128) 7.503 4.153 ( 3.002 0.306 -0.635) 3.084 4.207 ( -4.362 0.271 -0.942) 4.471 4.283 ( 1.819 -3.959 -1.722) 4.685 4.486 ( -0.401 2.990 -0.346) 3.037 4.556 ( 3.648 0.550 -0.334) 3.705 4.604 ( -0.836 -5.673 0.115) 5.736 4.608 ( -0.598 -4.073 -4.312) 5.961 4.717 ( 3.706 2.345 -3.372) 5.532 4.735 ( -2.348 -1.218 2.843) 3.883 4.792 ( -0.602 -0.958 -0.897) 1.444 4.881 ( 2.454 -1.399 -0.978) 2.989 5.126 ( 1.974 -3.135 0.128) 3.707 5.527 ( 4.284 11.881 0.818) 12.657 5.647 ( 0.612 -0.836 2.003) 2.255 5.943 ( -0.950 -0.732 -0.741) 1.410 7.210 ( 2.900 19.472 14.205) 24.277 7.400 ( -0.604 -2.672 -1.539) 3.142 8.839 ( 0.010 0.131 0.428) 0.448 8.940 ( -0.707 0.036 -0.620) 0.941 10.522 ( 0.254 -2.313 0.484) 2.376 10.664 ( -3.224 -5.529 0.292) 6.407 10.751 ( 3.808 1.213 0.989) 4.117 10.855 ( -8.705 -21.993 -4.844) 24.144 11.526 ( 0.989 0.692 -2.248) 2.551 11.692 ( -1.661 -0.495 0.216) 1.746 13.898 ( 0.422 0.144 0.405) 0.602 13.905 ( -0.026 -0.656 0.394) 0.766 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 21.792 -0.796 9.755) 23.889 1.203 ( 15.782 -7.244 25.253) 30.647 1.763 ( 30.643 -20.338 9.651) 38.023 1.818 ( 4.825 0.833 3.438) 5.983 1.885 ( -2.268 -3.625 -0.534) 4.309 2.109 ( 5.601 2.512 -3.518) 7.075 2.192 ( 1.287 -5.819 6.115) 8.539 2.341 ( -8.564 -3.220 -1.095) 9.215 2.431 ( -3.350 0.769 -5.380) 6.385 2.445 ( -3.711 -3.938 -1.497) 5.615 2.562 ( -0.328 -0.960 -2.214) 2.435 2.642 ( -2.573 -2.511 5.596) 6.652 2.701 ( -4.585 11.691 0.329) 12.562 2.773 ( -5.205 1.526 -2.812) 6.110 2.836 ( -1.256 2.470 -0.528) 2.821 2.915 ( -0.261 4.751 -9.777) 10.874 3.005 ( -2.144 0.750 -9.942) 10.198 3.228 ( -1.330 -3.001 -1.123) 3.469 3.416 ( 3.007 2.919 -3.289) 5.327 3.460 ( -1.922 2.631 -1.747) 3.696 3.490 ( -0.358 1.359 -6.304) 6.459 3.549 ( -7.516 -0.382 -4.209) 8.623 3.648 ( 3.536 -1.182 -0.487) 3.761 3.727 ( 3.822 0.654 2.399) 4.560 3.882 ( -8.980 7.812 -3.186) 12.321 3.993 ( -4.241 2.370 2.385) 5.412 4.069 ( 2.555 2.201 2.448) 4.167 4.165 ( -1.223 -1.409 2.739) 3.314 4.234 ( 1.717 -1.606 2.727) 3.600 4.304 ( 0.633 -0.054 -1.680) 1.796 4.463 ( -0.410 1.457 1.328) 2.013 4.593 ( -0.806 0.228 1.581) 1.789 4.605 ( 0.923 -2.325 -1.420) 2.877 4.657 ( -0.318 -3.559 -1.234) 3.780 4.704 ( 2.688 -0.053 -1.365) 3.015 4.750 ( 0.637 0.043 -0.011) 0.638 4.780 ( -1.498 -1.395 1.283) 2.416 4.908 ( 1.061 -0.661 -1.472) 1.931 5.211 ( 3.068 -5.567 0.561) 6.381 5.485 ( 0.286 6.297 -0.926) 6.371 5.702 ( 1.847 -1.061 3.223) 3.864 5.914 ( -2.041 -0.538 -1.507) 2.593 7.241 ( 2.942 9.753 7.363) 12.569 7.395 ( -1.273 -4.300 -2.559) 5.163 8.845 ( 0.253 0.176 0.712) 0.776 8.916 ( -1.174 0.041 -0.971) 1.524 10.559 ( 0.265 -3.975 0.596) 4.028 10.659 ( -1.202 1.495 2.144) 2.877 10.816 ( 4.370 3.444 1.855) 5.865 10.862 ( -4.762 -13.217 -2.412) 14.254 11.517 ( 2.090 0.694 -2.835) 3.590 11.663 ( -2.791 -0.564 0.283) 2.862 13.904 ( -0.066 0.030 0.478) 0.484 13.921 ( 0.621 -0.455 0.566) 0.955 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 17.222 1.629 9.039) 19.518 1.706 ( -0.204 -4.723 3.091) 5.648 1.735 ( 2.958 -5.289 10.390) 12.028 1.959 ( 0.490 3.187 10.518) 11.002 2.029 ( -3.104 -0.711 -9.431) 9.954 2.203 ( -3.677 1.168 -6.407) 7.479 2.208 ( -3.545 0.370 -10.269) 10.870 2.366 ( 7.430 -9.932 4.922) 13.345 2.376 ( 4.237 1.912 2.812) 5.433 2.496 ( -2.670 4.095 -4.533) 6.666 2.550 ( 1.932 -2.002 2.121) 3.499 2.568 ( -3.391 2.050 2.806) 4.856 2.651 ( 7.669 -5.916 3.405) 10.267 2.750 ( -1.119 -1.289 -0.966) 1.961 2.801 ( 1.802 2.114 -0.429) 2.811 2.903 ( 4.048 -5.251 6.599) 9.354 2.948 ( 4.412 -3.581 -9.277) 10.880 3.157 ( -8.455 4.366 -2.186) 9.764 3.274 ( -9.695 8.439 -3.777) 13.397 3.342 ( -4.362 1.203 -5.480) 7.107 3.411 ( 2.970 4.419 -2.951) 6.087 3.446 ( -3.349 -0.794 -0.658) 3.505 3.612 ( -5.414 2.180 -1.028) 5.926 3.741 ( 3.262 0.085 2.213) 3.942 3.841 ( 2.385 -0.964 0.094) 2.574 3.962 ( -0.621 0.587 0.489) 0.984 4.125 ( 2.867 -0.119 1.038) 3.052 4.174 ( -2.455 -0.889 1.527) 3.025 4.267 ( 0.790 0.662 0.162) 1.043 4.286 ( -0.709 -0.039 -1.033) 1.254 4.481 ( 0.366 0.131 2.564) 2.593 4.586 ( -0.941 0.741 0.846) 1.466 4.613 ( 0.492 0.699 0.697) 1.103 4.629 ( -0.711 -0.791 -2.874) 3.064 4.730 ( -0.601 -1.048 -0.974) 1.552 4.767 ( 1.266 -1.909 -0.766) 2.415 4.817 ( 1.571 0.128 2.925) 3.323 4.896 ( -0.652 -0.090 -1.635) 1.763 5.308 ( 2.152 -4.944 0.855) 5.459 5.417 ( -1.222 4.699 -1.199) 5.001 5.779 ( 2.651 -0.851 2.923) 4.037 5.859 ( -2.673 0.192 -2.159) 3.441 7.275 ( 1.738 4.101 3.142) 5.450 7.384 ( -1.058 -2.809 -1.767) 3.483 8.858 ( 0.608 0.117 0.767) 0.985 8.888 ( -1.036 -0.016 -0.889) 1.365 10.604 ( 0.335 -4.624 -0.250) 4.643 10.640 ( -0.527 4.101 1.536) 4.411 10.849 ( 0.600 0.532 0.811) 1.141 10.882 ( -0.507 -3.705 -0.749) 3.814 11.525 ( 1.821 0.160 -1.372) 2.285 11.627 ( -2.046 -0.192 0.253) 2.070 13.906 ( -0.049 -0.001 0.217) 0.222 13.936 ( 0.296 -0.168 0.252) 0.424 ======================= Grid point 8 (5/116) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 28.638 0.000 5.708) 29.201 1.075 ( 18.542 0.000 21.353) 28.280 1.560 ( 34.146 0.000 19.168) 39.158 1.810 ( -3.719 -0.000 -7.769) 8.613 1.876 ( 10.118 0.000 6.629) 12.096 2.129 ( 1.217 0.000 8.500) 8.587 2.141 ( 5.220 0.000 -1.639) 5.472 2.307 ( -9.242 -0.000 -0.221) 9.244 2.395 ( -4.164 -0.000 -8.552) 9.511 2.471 ( -5.133 -0.000 -2.380) 5.658 2.509 ( -1.252 -0.000 -1.612) 2.041 2.627 ( -2.366 -0.000 7.873) 8.221 2.798 ( -3.539 -0.000 -0.074) 3.540 2.841 ( -2.981 -0.000 -7.590) 8.154 2.854 ( -2.882 -0.000 -3.856) 4.814 2.923 ( 0.775 0.000 -11.551) 11.577 3.101 ( -4.681 -0.000 2.751) 5.430 3.129 ( -4.944 -0.000 -9.691) 10.879 3.415 ( 6.490 0.000 1.005) 6.568 3.483 ( -8.502 -0.000 1.993) 8.733 3.535 ( -5.466 -0.000 -0.839) 5.530 3.543 ( 3.619 0.000 -15.233) 15.657 3.625 ( 3.977 0.000 1.151) 4.140 3.735 ( 4.561 0.000 2.588) 5.244 3.975 ( -10.641 -0.000 -2.288) 10.884 4.011 ( -5.971 -0.000 1.404) 6.134 4.082 ( -4.099 -0.000 0.337) 4.113 4.140 ( -2.638 -0.000 5.233) 5.860 4.190 ( 5.002 0.000 2.951) 5.808 4.323 ( 1.442 0.000 -0.189) 1.454 4.536 ( 1.791 0.000 1.648) 2.434 4.537 ( 3.096 0.000 -3.257) 4.494 4.593 ( 1.243 0.000 0.582) 1.373 4.607 ( 0.153 0.000 2.631) 2.636 4.704 ( -0.381 -0.000 -2.565) 2.593 4.756 ( -0.858 -0.000 -2.875) 3.001 4.784 ( 1.781 0.000 3.103) 3.577 4.893 ( 1.031 0.000 -1.255) 1.624 5.156 ( 3.337 0.000 0.356) 3.356 5.548 ( -1.638 -0.000 -2.306) 2.828 5.692 ( 2.075 0.000 3.243) 3.850 5.909 ( -1.526 -0.000 -1.624) 2.228 7.344 ( -1.687 -0.000 -3.246) 3.659 7.366 ( -0.273 -0.000 6.129) 6.135 8.847 ( 0.159 0.000 0.838) 0.853 8.916 ( -1.228 -0.000 -0.920) 1.535 10.524 ( 0.689 0.000 0.180) 0.712 10.620 ( -0.144 -0.000 3.401) 3.404 10.760 ( -1.791 -0.000 0.941) 2.023 10.853 ( 6.284 0.000 1.646) 6.496 11.524 ( 2.378 0.000 -3.691) 4.391 11.657 ( -3.040 -0.000 0.682) 3.116 13.904 ( -0.182 -0.000 0.529) 0.559 13.918 ( 0.956 0.000 0.497) 1.077 ======================= Grid point 9 (6/116) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 20.455 7.530 8.669) 23.458 1.611 ( 15.770 -7.408 10.200) 20.189 1.658 ( -2.524 -2.616 -4.398) 5.706 2.004 ( -0.891 1.248 -0.535) 1.624 2.019 ( -4.887 0.473 -2.693) 5.600 2.183 ( 3.031 -2.054 0.170) 3.665 2.202 ( 6.235 -2.262 -8.539) 10.812 2.277 ( 1.903 2.343 3.201) 4.400 2.387 ( 4.660 -9.298 9.823) 14.306 2.418 ( 9.150 3.335 1.843) 9.912 2.516 ( 3.145 -3.610 -4.718) 6.722 2.631 ( -3.108 1.602 -2.302) 4.187 2.661 ( -1.014 1.860 -3.951) 4.483 2.769 ( -0.168 5.201 -1.166) 5.333 2.818 ( 0.223 -2.780 6.780) 7.331 2.885 ( 2.721 -2.093 -8.354) 9.032 2.922 ( -4.260 8.068 1.313) 9.217 3.116 ( -6.790 -9.414 4.290) 12.375 3.363 ( -9.564 4.578 0.523) 10.616 3.401 ( -6.380 2.551 -1.585) 7.052 3.455 ( 1.532 0.832 -8.670) 8.843 3.469 ( -0.215 1.755 -0.912) 1.990 3.682 ( -9.278 5.832 -2.492) 11.238 3.746 ( 5.044 0.831 2.427) 5.659 3.795 ( -4.956 -4.752 -1.149) 6.961 3.931 ( -1.270 -2.868 -3.807) 4.933 4.082 ( -1.497 -2.784 3.731) 4.890 4.143 ( -3.549 -0.470 4.340) 5.627 4.283 ( 2.397 0.403 2.188) 3.270 4.312 ( -2.141 0.583 1.678) 2.782 4.522 ( 2.199 4.535 -0.582) 5.074 4.591 ( 0.791 -1.606 -2.897) 3.405 4.628 ( 1.629 2.138 0.927) 2.843 4.640 ( 1.962 0.243 0.886) 2.167 4.694 ( 1.052 -2.049 -1.605) 2.808 4.725 ( 0.498 -2.384 -1.902) 3.090 4.837 ( 1.698 2.086 3.055) 4.071 4.886 ( -0.719 -1.394 -1.205) 1.978 5.228 ( 3.046 -3.077 0.638) 4.377 5.485 ( -1.950 2.397 -1.919) 3.637 5.769 ( 3.281 -0.325 2.964) 4.434 5.861 ( -1.929 0.064 -2.506) 3.163 7.276 ( -2.615 -1.493 -4.579) 5.480 7.417 ( 2.254 3.362 4.297) 5.903 8.861 ( 0.519 0.149 1.093) 1.219 8.887 ( -1.299 -0.051 -0.822) 1.538 10.543 ( 0.606 -2.013 -0.264) 2.119 10.666 ( -0.197 -2.418 2.731) 3.653 10.740 ( -2.656 -1.610 0.565) 3.157 10.960 ( 6.832 3.191 1.278) 7.648 11.534 ( 3.314 0.580 -2.761) 4.353 11.615 ( -3.493 -0.801 1.106) 3.751 13.906 ( -0.088 -0.039 0.241) 0.259 13.935 ( 0.713 -0.006 0.145) 0.728 ======================= Grid point 10 (7/116) ======================= q-point: (-0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -7.363 3.794 -11.022) 13.787 1.791 ( 0.131 5.468 -10.815) 12.120 1.811 ( 3.284 2.090 -5.151) 6.456 1.916 ( 2.021 -0.310 -12.280) 12.449 2.011 ( 6.316 -3.732 8.848) 11.494 2.097 ( 1.038 -8.737 -7.245) 11.397 2.227 ( 3.444 2.540 12.454) 13.169 2.383 ( -2.936 -4.106 0.612) 5.085 2.393 ( 1.180 1.120 5.723) 5.950 2.509 ( -4.191 2.256 -3.657) 6.002 2.578 ( 3.763 5.612 -0.611) 6.784 2.608 ( 3.591 5.526 1.123) 6.685 2.707 ( -1.309 -0.154 -1.914) 2.324 2.765 ( 3.795 0.324 -1.230) 4.003 2.858 ( -1.003 -1.380 -7.717) 7.903 2.941 ( -4.977 5.515 3.492) 8.209 3.019 ( 8.263 0.794 14.832) 16.997 3.118 ( -5.938 -4.690 3.308) 8.258 3.149 ( -0.101 2.656 3.418) 4.330 3.292 ( -2.962 -1.183 9.183) 9.721 3.365 ( -3.830 -0.571 -2.527) 4.624 3.457 ( 2.411 -1.634 -0.331) 2.931 3.599 ( 2.571 -0.360 -0.330) 2.617 3.710 ( -7.126 -5.307 -1.725) 9.051 3.828 ( -1.118 -1.593 1.141) 2.256 3.915 ( -0.136 -3.160 -5.165) 6.056 4.109 ( -4.757 -0.491 2.408) 5.354 4.133 ( -0.210 -2.620 1.722) 3.142 4.275 ( -2.233 0.120 2.171) 3.117 4.334 ( 1.674 2.930 1.907) 3.876 4.493 ( 0.619 1.446 -4.435) 4.706 4.568 ( 1.599 -1.358 -5.484) 5.871 4.636 ( 2.796 3.889 0.911) 4.875 4.666 ( 0.126 2.506 2.441) 3.500 4.723 ( 2.118 -1.455 0.249) 2.581 4.770 ( 1.573 -1.766 0.076) 2.366 4.824 ( -2.518 0.656 -0.387) 2.631 4.900 ( 1.035 0.350 1.027) 1.499 5.301 ( 0.934 -4.099 0.645) 4.253 5.417 ( -1.303 3.357 -1.137) 3.777 5.795 ( -1.888 0.906 -3.099) 3.740 5.855 ( 3.592 -0.288 1.906) 4.077 7.197 ( -3.421 -3.569 -6.017) 7.788 7.463 ( 2.744 4.683 3.416) 6.413 8.859 ( -0.905 0.102 -0.552) 1.065 8.887 ( 0.905 -0.063 1.159) 1.472 10.569 ( 0.591 -3.548 -1.266) 3.813 10.681 ( -0.143 3.650 0.833) 3.747 10.732 ( -3.067 -6.479 0.449) 7.183 11.033 ( 6.967 7.292 0.993) 10.134 11.534 ( -1.629 1.322 0.901) 2.283 11.614 ( 1.887 -1.680 -0.053) 2.527 13.906 ( 0.022 -0.046 -0.221) 0.227 13.940 ( 0.190 0.246 -0.350) 0.468 ======================= Grid point 11 (8/116) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -7.292 13.178 -10.181) 18.179 1.343 ( -10.282 9.570 -26.511) 30.002 1.763 ( -1.971 -5.237 -12.440) 13.641 1.974 ( 2.558 6.870 2.430) 7.723 2.088 ( -5.217 0.839 6.250) 8.184 2.142 ( -12.402 10.279 -3.086) 16.402 2.241 ( -2.128 3.378 -4.268) 5.844 2.366 ( 6.232 -1.421 -0.349) 6.402 2.426 ( 2.103 1.648 6.014) 6.581 2.480 ( 1.377 0.160 0.388) 1.439 2.557 ( 1.114 1.219 -3.010) 3.434 2.601 ( 3.267 4.206 -0.634) 5.363 2.679 ( -0.164 1.389 1.951) 2.400 2.777 ( -2.671 -3.345 -1.866) 4.669 2.815 ( 6.409 -5.188 6.572) 10.545 2.853 ( -0.434 8.463 1.194) 8.558 2.998 ( -1.265 -1.243 7.281) 7.494 3.256 ( -1.295 1.416 0.911) 2.124 3.281 ( -0.647 -10.124 6.742) 12.181 3.405 ( 4.004 -6.601 2.254) 8.042 3.463 ( -0.317 -2.243 11.561) 11.781 3.563 ( 6.400 0.387 4.799) 8.009 3.616 ( -5.301 -6.132 0.331) 8.113 3.722 ( 3.190 -0.097 -0.834) 3.299 3.783 ( -0.108 -2.482 -0.460) 2.527 3.913 ( 1.342 -6.997 -0.892) 7.180 4.029 ( -5.436 -0.681 -0.935) 5.558 4.153 ( -0.280 -0.835 -1.487) 1.729 4.250 ( -2.321 0.426 -1.830) 2.986 4.333 ( 0.206 1.601 -0.216) 1.628 4.463 ( 1.970 0.484 -2.824) 3.477 4.589 ( 3.535 -1.778 -0.775) 4.032 4.635 ( -2.168 1.864 -0.956) 3.015 4.671 ( 1.567 2.817 2.331) 3.978 4.759 ( -0.977 2.025 1.054) 2.483 4.766 ( 0.230 2.108 1.524) 2.611 4.805 ( 2.108 1.065 -1.023) 2.574 4.908 ( -0.962 -0.396 0.547) 1.175 5.297 ( -2.791 2.341 -0.510) 3.678 5.391 ( -0.857 -2.360 -0.520) 2.564 5.724 ( -1.473 1.410 -3.300) 3.879 5.924 ( 3.171 0.557 1.236) 3.448 7.109 ( -4.059 -5.134 -7.457) 9.922 7.485 ( 1.840 5.602 2.504) 6.406 8.842 ( -0.471 -0.101 -0.469) 0.673 8.915 ( 1.079 -0.004 1.123) 1.557 10.597 ( 0.758 -4.406 -1.862) 4.843 10.639 ( -0.483 4.536 -0.359) 4.576 10.737 ( -2.869 -4.609 -0.251) 5.435 11.090 ( 8.442 10.834 2.602) 13.979 11.507 ( -2.664 -0.269 2.170) 3.446 11.669 ( 3.231 -0.057 0.169) 3.236 13.903 ( 0.017 -0.045 -0.495) 0.497 13.931 ( -0.147 0.616 -0.609) 0.879 ======================= Grid point 12 (9/116) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -5.409 20.008 -12.183) 24.041 0.831 ( -4.881 19.681 -20.659) 28.948 1.452 ( -27.917 33.927 -3.676) 44.089 1.654 ( -4.213 -0.919 -5.752) 7.189 1.931 ( -2.572 0.244 -1.768) 3.130 2.092 ( -0.573 5.261 4.577) 6.997 2.196 ( -0.630 10.276 -3.374) 10.834 2.441 ( 2.470 -1.192 -1.227) 3.004 2.499 ( 5.200 -1.452 -0.209) 5.403 2.552 ( -2.399 -2.686 1.108) 3.768 2.604 ( 4.691 -1.529 0.845) 5.006 2.645 ( 1.875 -10.095 0.996) 10.316 2.702 ( 6.794 0.914 -0.314) 6.862 2.755 ( -2.304 -5.723 -0.042) 6.170 2.890 ( 3.686 3.820 2.395) 5.824 3.042 ( 2.640 -2.909 9.140) 9.948 3.098 ( 3.504 -2.993 1.710) 4.915 3.218 ( 0.238 -0.326 0.773) 0.872 3.425 ( -3.775 -0.201 4.844) 6.144 3.443 ( 0.117 -8.660 2.360) 8.977 3.533 ( -4.718 -0.248 1.657) 5.007 3.577 ( 1.457 -2.668 3.981) 5.009 3.635 ( -3.331 0.657 -1.710) 3.802 3.730 ( 4.841 -1.579 3.325) 6.082 3.908 ( 1.070 -7.702 3.777) 8.644 3.957 ( -1.445 -5.487 -2.935) 6.389 4.045 ( 4.092 -1.644 -3.612) 5.700 4.122 ( -1.864 -0.619 -1.098) 2.250 4.187 ( 0.865 -0.066 -2.206) 2.371 4.336 ( 0.706 -0.685 0.860) 1.307 4.478 ( 1.290 0.761 -0.328) 1.533 4.533 ( -6.793 -1.443 -2.078) 7.249 4.679 ( 2.373 0.718 7.264) 7.675 4.696 ( 1.995 3.811 1.644) 4.605 4.711 ( -0.792 5.137 0.992) 5.292 4.775 ( 3.036 2.937 -2.106) 4.721 4.816 ( 2.044 1.610 -1.257) 2.890 4.892 ( -2.570 -0.354 1.300) 2.902 5.207 ( -3.252 4.802 -0.437) 5.816 5.355 ( -6.374 -5.079 -4.422) 9.273 5.667 ( -0.571 1.522 -2.139) 2.686 5.964 ( 1.699 1.520 0.689) 2.382 7.002 ( -5.141 -5.197 -8.965) 11.568 7.476 ( 0.707 5.700 1.401) 5.913 8.836 ( -0.119 -0.217 -0.306) 0.393 8.939 ( 0.687 -0.006 0.671) 0.961 10.589 ( -0.259 4.730 -0.464) 4.759 10.632 ( 1.026 -4.554 -1.448) 4.888 10.716 ( -2.567 -2.302 -0.578) 3.496 11.194 ( 12.478 12.005 6.839) 18.617 11.505 ( -1.172 -1.629 1.636) 2.589 11.708 ( 2.151 1.300 0.162) 2.518 13.897 ( -0.178 0.016 -0.407) 0.444 13.918 ( 0.062 0.824 -0.378) 0.909 ======================= Grid point 13 (10/116) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( -0.000 22.034 -0.000) 22.034 0.563 ( -0.000 32.560 -0.000) 32.560 0.765 ( -0.000 44.214 -0.000) 44.214 1.565 ( -0.000 3.702 -0.000) 3.702 1.923 ( 0.000 -4.415 0.000) 4.415 2.047 ( -0.000 12.515 -0.000) 12.515 2.081 ( -0.000 3.765 -0.000) 3.765 2.488 ( 0.000 -1.043 0.000) 1.043 2.553 ( 0.000 -4.670 0.000) 4.670 2.570 ( 0.000 -2.773 0.000) 2.773 2.692 ( 0.000 -4.899 0.000) 4.899 2.699 ( 0.000 -4.061 0.000) 4.061 2.744 ( -0.000 0.008 -0.000) 0.008 2.848 ( 0.000 -8.564 0.000) 8.564 2.878 ( -0.000 6.509 -0.000) 6.509 3.088 ( 0.000 -1.324 0.000) 1.324 3.136 ( -0.000 1.443 -0.000) 1.443 3.296 ( 0.000 -0.882 0.000) 0.882 3.400 ( 0.000 -2.288 0.000) 2.288 3.452 ( 0.000 -0.384 0.000) 0.384 3.543 ( 0.000 -3.188 0.000) 3.188 3.598 ( -0.000 0.107 -0.000) 0.107 3.644 ( 0.000 -1.709 0.000) 1.709 3.859 ( -0.000 0.710 -0.000) 0.710 3.969 ( 0.000 -12.609 0.000) 12.609 3.997 ( 0.000 -3.506 0.000) 3.506 4.057 ( 0.000 -4.490 0.000) 4.490 4.093 ( 0.000 -0.805 0.000) 0.805 4.221 ( 0.000 -0.840 0.000) 0.840 4.367 ( 0.000 -0.192 0.000) 0.192 4.408 ( -0.000 0.611 -0.000) 0.611 4.513 ( 0.000 -1.097 0.000) 1.097 4.647 ( -0.000 6.579 -0.000) 6.579 4.699 ( -0.000 3.144 -0.000) 3.144 4.744 ( -0.000 0.022 -0.000) 0.022 4.806 ( -0.000 1.193 -0.000) 1.193 4.851 ( -0.000 0.105 -0.000) 0.105 4.863 ( -0.000 0.796 -0.000) 0.796 5.119 ( -0.000 2.374 -0.000) 2.374 5.195 ( -0.000 4.806 -0.000) 4.806 5.641 ( -0.000 1.126 -0.000) 1.126 5.966 ( -0.000 1.682 -0.000) 1.682 6.885 ( -0.000 0.961 -0.000) 0.961 7.443 ( -0.000 4.636 -0.000) 4.636 8.835 ( 0.000 -0.226 0.000) 0.226 8.948 ( 0.000 -0.035 0.000) 0.035 10.545 ( -0.000 4.145 -0.000) 4.145 10.673 ( 0.000 -4.020 0.000) 4.020 10.704 ( 0.000 -1.428 0.000) 1.428 11.375 ( -0.000 0.446 -0.000) 0.446 11.520 ( 0.000 -1.566 0.000) 1.566 11.716 ( -0.000 1.558 -0.000) 1.558 13.892 ( -0.000 0.088 -0.000) 0.088 13.913 ( -0.000 0.561 -0.000) 0.561 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.476 0.000 -11.988) 11.998 1.798 ( -4.303 -0.000 -11.446) 12.229 1.889 ( 0.969 0.000 -7.573) 7.635 1.912 ( 10.065 0.000 -6.026) 11.731 1.971 ( 4.229 0.000 -0.936) 4.331 1.989 ( 4.146 0.000 -3.911) 5.700 2.277 ( 0.694 0.000 10.505) 10.528 2.297 ( -2.196 -0.000 4.322) 4.848 2.448 ( 3.597 0.000 2.123) 4.177 2.505 ( -6.177 -0.000 0.348) 6.187 2.632 ( 3.900 0.000 -1.042) 4.037 2.667 ( 0.915 0.000 0.900) 1.283 2.747 ( 11.346 0.000 -7.312) 13.498 2.782 ( 1.802 0.000 -11.834) 11.971 2.789 ( 3.562 0.000 6.001) 6.979 2.929 ( 1.771 0.000 4.859) 5.172 3.041 ( 6.352 0.000 12.421) 13.951 3.064 ( -3.998 -0.000 18.531) 18.957 3.244 ( -14.422 -0.000 2.998) 14.730 3.341 ( -4.116 -0.000 1.514) 4.386 3.382 ( -7.806 -0.000 -3.530) 8.567 3.386 ( 0.308 0.000 -1.488) 1.519 3.567 ( -10.094 -0.000 -2.834) 10.485 3.630 ( 0.615 0.000 1.812) 1.914 3.829 ( 0.910 0.000 -0.210) 0.934 3.883 ( 0.561 0.000 -5.966) 5.992 4.102 ( 0.880 0.000 2.644) 2.786 4.116 ( -4.898 -0.000 3.429) 5.979 4.276 ( -3.366 -0.000 2.665) 4.294 4.354 ( 1.025 0.000 3.589) 3.732 4.513 ( 0.112 0.000 -6.040) 6.041 4.557 ( 1.185 0.000 -6.044) 6.159 4.689 ( 0.303 0.000 1.876) 1.900 4.697 ( 3.139 0.000 0.469) 3.174 4.711 ( 3.464 0.000 0.057) 3.464 4.726 ( 2.780 0.000 0.697) 2.866 4.831 ( -2.892 -0.000 0.033) 2.892 4.903 ( 1.475 0.000 0.801) 1.678 5.261 ( 1.742 0.000 0.630) 1.853 5.449 ( -1.547 -0.000 -1.369) 2.066 5.804 ( -1.674 -0.000 -3.336) 3.732 5.852 ( 4.119 0.000 1.949) 4.557 7.166 ( -3.244 -0.000 -6.145) 6.949 7.507 ( 2.662 0.000 3.068) 4.062 8.860 ( -1.102 -0.000 -0.549) 1.231 8.886 ( 0.913 0.000 1.373) 1.648 10.536 ( 0.583 0.000 -1.237) 1.368 10.669 ( -1.224 -0.000 1.530) 1.960 10.716 ( -0.789 -0.000 0.740) 1.082 11.098 ( 7.414 0.000 0.712) 7.448 11.561 ( -4.703 -0.000 2.384) 5.273 11.584 ( 5.030 0.000 -1.454) 5.236 13.905 ( 0.040 0.000 -0.231) 0.234 13.943 ( 0.372 0.000 -0.387) 0.537 ======================= Grid point 17 (12/116) ======================= q-point: (-0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 4.323 13.089 -9.876) 16.957 1.525 ( -4.077 10.246 -21.585) 24.238 1.648 ( -2.822 -6.661 -17.887) 19.295 1.914 ( 2.688 -15.547 -7.554) 17.492 2.096 ( 3.552 7.008 2.953) 8.393 2.146 ( 1.098 1.579 8.539) 8.753 2.284 ( -0.506 -6.075 0.173) 6.099 2.405 ( -4.286 2.248 -1.316) 5.015 2.483 ( 9.572 0.814 6.566) 11.637 2.561 ( -4.596 8.571 1.987) 9.926 2.609 ( 2.990 3.673 -2.225) 5.233 2.686 ( 4.007 -0.438 3.122) 5.098 2.702 ( -2.462 -3.680 -2.535) 5.102 2.766 ( -3.206 6.425 -4.584) 8.519 2.802 ( 0.927 8.402 4.607) 9.627 2.949 ( -1.778 0.536 2.787) 3.349 3.013 ( -7.316 1.337 4.170) 8.526 3.129 ( -2.887 -3.580 2.187) 5.092 3.222 ( -2.684 -9.639 -2.288) 10.264 3.309 ( -1.693 0.359 7.899) 8.086 3.418 ( -0.536 -3.181 11.324) 11.775 3.460 ( -1.223 -7.761 6.495) 10.194 3.544 ( 6.041 -1.706 5.988) 8.675 3.740 ( 4.451 1.989 -0.306) 4.885 3.774 ( -2.803 0.521 0.177) 2.857 3.821 ( 1.432 -3.752 -3.724) 5.477 4.037 ( -6.583 0.646 0.495) 6.633 4.141 ( 1.036 -0.532 0.459) 1.251 4.256 ( -2.113 0.271 -0.768) 2.264 4.346 ( -2.564 0.208 -2.647) 3.691 4.472 ( 1.824 0.644 -3.068) 3.627 4.548 ( 2.423 -1.858 -3.318) 4.509 4.687 ( -0.659 2.667 0.730) 2.843 4.715 ( 1.186 1.508 1.501) 2.436 4.766 ( 1.605 0.075 0.620) 1.722 4.787 ( 2.151 -0.378 1.378) 2.583 4.819 ( 0.817 0.701 1.964) 2.239 4.903 ( -0.724 -0.131 -1.674) 1.828 5.280 ( -1.004 -1.392 -0.035) 1.717 5.412 ( -0.915 1.724 -0.878) 2.140 5.744 ( -1.181 0.685 -3.430) 3.692 5.931 ( 4.032 0.207 1.027) 4.165 7.058 ( -3.156 -1.257 -6.419) 7.263 7.560 ( 2.086 2.562 2.073) 3.900 8.842 ( -0.652 -0.001 -0.320) 0.726 8.916 ( 1.029 0.014 1.293) 1.653 10.538 ( 0.472 -2.019 -1.726) 2.698 10.654 ( -2.473 -1.805 0.122) 3.064 10.720 ( 0.856 1.693 0.607) 1.992 11.208 ( 8.197 3.258 0.268) 8.825 11.510 ( -4.638 0.480 3.141) 5.622 11.662 ( 4.800 -0.457 0.206) 4.826 13.902 ( 0.103 -0.001 -0.528) 0.538 13.939 ( 0.061 0.269 -0.639) 0.696 ======================= Grid point 18 (13/116) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -5.931 16.159 -16.576) 23.896 1.270 ( 9.250 27.116 -7.503) 29.617 1.549 ( -1.583 -10.422 -10.013) 14.539 1.952 ( -7.929 9.595 -0.910) 12.480 2.039 ( -11.078 18.867 -1.696) 21.944 2.142 ( 1.216 0.190 2.429) 2.723 2.263 ( 5.492 -2.302 -0.535) 5.979 2.388 ( 1.961 -5.375 1.913) 6.033 2.450 ( -3.585 0.223 1.831) 4.031 2.498 ( -0.764 1.175 -4.445) 4.661 2.583 ( -0.209 -0.110 1.944) 1.958 2.618 ( -2.335 -2.348 -6.039) 6.887 2.697 ( -0.924 3.967 1.231) 4.255 2.750 ( 3.206 5.281 4.731) 7.782 2.971 ( 2.825 3.978 1.306) 5.051 2.983 ( 5.174 -3.233 8.237) 10.250 3.049 ( 5.930 -2.802 2.267) 6.939 3.179 ( -3.933 -8.840 -1.230) 9.754 3.215 ( 1.655 -11.981 1.820) 12.231 3.387 ( -1.728 -5.843 -0.578) 6.120 3.516 ( -2.799 -2.347 11.059) 11.647 3.544 ( -1.851 -1.148 6.188) 6.560 3.611 ( -8.175 -2.156 -2.375) 8.782 3.661 ( -0.959 -2.957 -2.047) 3.722 3.818 ( 6.968 -3.643 4.408) 9.013 3.915 ( -2.875 0.676 0.359) 2.975 4.039 ( 5.861 1.068 1.301) 6.098 4.132 ( -0.175 0.909 -3.513) 3.633 4.197 ( 0.259 0.879 -1.585) 1.831 4.289 ( -0.957 -3.797 -2.366) 4.575 4.477 ( 0.969 -0.241 -1.346) 1.676 4.511 ( -5.625 -1.429 -2.414) 6.285 4.699 ( 1.893 1.957 3.609) 4.520 4.757 ( 2.517 2.571 2.567) 4.420 4.773 ( -0.152 1.637 1.774) 2.419 4.821 ( 1.766 2.435 0.005) 3.008 4.837 ( 2.088 0.793 -2.256) 3.175 4.878 ( -1.312 -1.008 0.425) 1.709 5.241 ( -3.768 0.167 -1.308) 3.992 5.362 ( -1.654 3.217 -1.468) 3.904 5.694 ( -0.393 1.346 -2.164) 2.579 5.987 ( 2.551 1.048 0.530) 2.808 6.963 ( -2.519 -0.614 -5.141) 5.758 7.569 ( 0.949 4.556 1.116) 4.786 8.833 ( -0.244 -0.094 -0.182) 0.318 8.940 ( 0.680 0.079 0.779) 1.036 10.554 ( 0.411 -3.880 -1.256) 4.099 10.631 ( -1.588 -0.698 -0.262) 1.754 10.714 ( 0.302 2.694 0.009) 2.710 11.313 ( 7.913 3.398 1.008) 8.671 11.480 ( -3.185 -1.052 2.885) 4.425 11.729 ( 3.100 0.955 0.546) 3.289 13.898 ( 0.025 0.094 -0.420) 0.431 13.930 ( 0.019 0.543 -0.436) 0.696 ======================= Grid point 19 (14/116) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -0.000 20.828 -0.000) 20.828 1.098 ( -0.000 30.144 -0.000) 30.144 1.488 ( -0.000 40.274 -0.000) 40.274 1.564 ( 0.000 -6.311 0.000) 6.311 1.909 ( -0.000 4.526 -0.000) 4.526 2.153 ( -0.000 4.125 -0.000) 4.125 2.303 ( -0.000 14.887 -0.000) 14.887 2.426 ( 0.000 -9.527 0.000) 9.527 2.480 ( 0.000 -6.632 0.000) 6.632 2.485 ( 0.000 -2.771 0.000) 2.771 2.583 ( 0.000 -4.758 0.000) 4.758 2.646 ( 0.000 -0.640 0.000) 0.640 2.668 ( 0.000 -7.879 0.000) 7.879 2.801 ( -0.000 2.748 -0.000) 2.748 2.975 ( -0.000 4.249 -0.000) 4.249 3.053 ( 0.000 -2.835 0.000) 2.835 3.150 ( 0.000 -0.413 0.000) 0.413 3.289 ( -0.000 0.278 -0.000) 0.278 3.290 ( 0.000 -13.122 0.000) 13.122 3.426 ( 0.000 -2.789 0.000) 2.789 3.452 ( 0.000 -5.518 0.000) 5.518 3.584 ( 0.000 -2.868 0.000) 2.868 3.615 ( -0.000 0.024 -0.000) 0.024 3.711 ( 0.000 -14.644 0.000) 14.644 3.877 ( -0.000 1.211 -0.000) 1.211 3.959 ( 0.000 -1.973 0.000) 1.973 4.020 ( -0.000 1.285 -0.000) 1.285 4.090 ( -0.000 0.199 -0.000) 0.199 4.221 ( -0.000 0.482 -0.000) 0.482 4.332 ( 0.000 -3.873 0.000) 3.873 4.424 ( -0.000 1.097 -0.000) 1.097 4.484 ( 0.000 -1.810 0.000) 1.810 4.738 ( 0.000 -0.545 0.000) 0.545 4.741 ( -0.000 4.175 -0.000) 4.175 4.764 ( -0.000 3.872 -0.000) 3.872 4.833 ( -0.000 1.711 -0.000) 1.711 4.849 ( 0.000 -0.252 0.000) 0.252 4.874 ( -0.000 0.352 -0.000) 0.352 5.167 ( -0.000 2.799 -0.000) 2.799 5.292 ( -0.000 5.763 -0.000) 5.763 5.667 ( -0.000 1.711 -0.000) 1.711 5.998 ( -0.000 1.784 -0.000) 1.784 6.905 ( -0.000 1.198 -0.000) 1.198 7.538 ( -0.000 5.717 -0.000) 5.717 8.831 ( 0.000 -0.188 0.000) 0.188 8.949 ( -0.000 0.086 -0.000) 0.086 10.590 ( 0.000 -5.035 0.000) 5.035 10.613 ( -0.000 1.923 -0.000) 1.923 10.693 ( -0.000 1.564 -0.000) 1.564 11.385 ( -0.000 0.669 -0.000) 0.669 11.486 ( 0.000 -2.238 0.000) 2.238 11.746 ( -0.000 1.726 -0.000) 1.726 13.895 ( -0.000 0.194 -0.000) 0.194 13.924 ( -0.000 0.622 -0.000) 0.622 ======================= Grid point 24 (15/116) ======================= q-point: ( 0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -4.233 -0.000 -12.333) 13.039 1.330 ( -2.129 -0.000 -13.615) 13.780 1.653 ( 16.677 0.000 -5.131) 17.449 1.786 ( 0.659 0.000 -3.612) 3.672 2.170 ( -0.968 -0.000 0.138) 0.978 2.252 ( -0.347 -0.000 4.630) 4.643 2.260 ( 6.070 0.000 0.297) 6.077 2.377 ( 0.142 0.000 0.183) 0.231 2.467 ( -11.862 -0.000 0.042) 11.862 2.560 ( -2.263 -0.000 -4.327) 4.883 2.570 ( -2.253 -0.000 0.104) 2.255 2.579 ( -10.391 -0.000 -5.563) 11.786 2.774 ( 6.442 0.000 6.969) 9.490 2.828 ( -8.130 -0.000 1.097) 8.204 2.919 ( 0.150 0.000 6.337) 6.339 2.972 ( 4.478 0.000 1.555) 4.741 3.014 ( 8.940 0.000 6.697) 11.170 3.039 ( -4.129 -0.000 -3.931) 5.701 3.132 ( 3.730 0.000 -1.299) 3.950 3.314 ( 0.970 0.000 1.216) 1.556 3.493 ( -1.982 -0.000 12.881) 13.033 3.528 ( -3.780 -0.000 6.927) 7.891 3.598 ( -8.585 -0.000 -5.264) 10.071 3.643 ( -2.761 -0.000 -1.902) 3.353 3.784 ( 8.856 0.000 3.694) 9.596 3.928 ( -4.234 -0.000 1.281) 4.423 4.060 ( 10.421 0.000 5.094) 11.599 4.138 ( -0.793 -0.000 -2.080) 2.226 4.210 ( -0.272 -0.000 -1.989) 2.007 4.243 ( -3.077 -0.000 -5.894) 6.649 4.480 ( -0.082 -0.000 -1.031) 1.034 4.491 ( -3.198 -0.000 -2.938) 4.343 4.723 ( -0.655 -0.000 1.463) 1.603 4.771 ( 3.911 0.000 4.500) 5.962 4.787 ( 0.380 0.000 0.976) 1.047 4.841 ( 2.192 0.000 0.075) 2.193 4.855 ( -1.438 -0.000 -2.543) 2.922 4.861 ( 1.428 0.000 0.768) 1.621 5.242 ( -2.520 -0.000 -0.949) 2.693 5.394 ( -1.156 -0.000 -0.999) 1.528 5.706 ( -0.299 -0.000 -2.179) 2.200 5.996 ( 2.905 0.000 0.444) 2.939 6.960 ( -1.830 -0.000 -4.209) 4.590 7.611 ( 1.038 0.000 0.974) 1.423 8.832 ( -0.295 -0.000 -0.135) 0.324 8.941 ( 0.682 0.000 0.838) 1.081 10.519 ( 0.237 0.000 -1.235) 1.258 10.618 ( -1.373 -0.000 -0.001) 1.373 10.746 ( 0.754 0.000 0.262) 0.798 11.338 ( 7.504 0.000 -1.950) 7.753 11.472 ( -4.970 -0.000 4.312) 6.580 11.737 ( 3.572 0.000 0.699) 3.640 13.899 ( 0.103 0.000 -0.427) 0.439 13.935 ( 0.005 0.000 -0.462) 0.462 ======================= Grid point 26 (16/116) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -0.000 18.588 -0.000) 18.588 1.367 ( 0.000 -14.475 0.000) 14.475 1.584 ( -0.000 25.754 -0.000) 25.754 1.947 ( 0.000 -10.691 0.000) 10.691 2.096 ( -0.000 28.370 -0.000) 28.370 2.154 ( -0.000 0.556 -0.000) 0.556 2.313 ( -0.000 1.311 -0.000) 1.311 2.369 ( 0.000 -6.533 0.000) 6.533 2.417 ( 0.000 -1.397 0.000) 1.397 2.470 ( -0.000 0.452 -0.000) 0.452 2.526 ( 0.000 -4.096 0.000) 4.096 2.557 ( 0.000 -2.481 0.000) 2.481 2.736 ( -0.000 5.282 -0.000) 5.282 2.879 ( -0.000 5.651 -0.000) 5.651 2.952 ( 0.000 -7.157 0.000) 7.157 2.986 ( 0.000 -4.993 0.000) 4.993 3.042 ( 0.000 -6.912 0.000) 6.912 3.124 ( 0.000 -3.266 0.000) 3.266 3.310 ( -0.000 2.190 -0.000) 2.190 3.365 ( 0.000 -3.801 0.000) 3.801 3.379 ( 0.000 -3.129 0.000) 3.129 3.533 ( 0.000 -5.030 0.000) 5.030 3.544 ( 0.000 -1.237 0.000) 1.237 3.622 ( -0.000 0.342 -0.000) 0.342 3.893 ( -0.000 0.545 -0.000) 0.545 3.926 ( 0.000 -1.317 0.000) 1.317 4.093 ( -0.000 0.073 -0.000) 0.073 4.099 ( -0.000 6.513 -0.000) 6.513 4.213 ( 0.000 -3.486 0.000) 3.486 4.257 ( 0.000 -2.592 0.000) 2.592 4.439 ( -0.000 0.522 -0.000) 0.522 4.462 ( 0.000 -0.675 0.000) 0.675 4.731 ( 0.000 -0.270 0.000) 0.270 4.789 ( -0.000 1.442 -0.000) 1.442 4.813 ( -0.000 1.735 -0.000) 1.735 4.844 ( 0.000 -0.372 0.000) 0.372 4.857 ( -0.000 0.976 -0.000) 0.976 4.875 ( 0.000 -0.231 0.000) 0.231 5.202 ( -0.000 1.160 -0.000) 1.160 5.366 ( -0.000 2.434 -0.000) 2.434 5.690 ( -0.000 0.819 -0.000) 0.819 6.020 ( -0.000 0.705 -0.000) 0.705 6.920 ( -0.000 0.529 -0.000) 0.529 7.613 ( -0.000 2.527 -0.000) 2.527 8.829 ( 0.000 -0.046 0.000) 0.046 8.950 ( -0.000 0.081 -0.000) 0.081 10.524 ( 0.000 -2.258 0.000) 2.258 10.610 ( 0.000 -0.716 0.000) 0.716 10.743 ( -0.000 2.357 -0.000) 2.357 11.394 ( -0.000 0.324 -0.000) 0.324 11.454 ( 0.000 -1.150 0.000) 1.150 11.768 ( -0.000 0.710 -0.000) 0.710 13.897 ( -0.000 0.102 -0.000) 0.102 13.932 ( -0.000 0.264 -0.000) 0.264 ======================= Grid point 51 (17/116) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( -0.296 -0.000 20.001) 20.003 0.423 ( -2.327 -0.000 20.492) 20.624 0.961 ( 2.819 0.000 46.265) 46.351 1.552 ( 0.091 0.000 1.847) 1.850 1.869 ( -1.834 -0.000 -4.211) 4.593 2.077 ( 3.350 0.000 4.485) 5.597 2.085 ( 1.390 0.000 3.029) 3.333 2.466 ( 7.479 0.000 -5.530) 9.302 2.525 ( -2.627 -0.000 -0.347) 2.650 2.650 ( -2.497 -0.000 3.950) 4.673 2.721 ( -4.554 -0.000 -8.084) 9.279 2.723 ( 2.535 0.000 -0.124) 2.538 2.790 ( -11.279 -0.000 4.737) 12.234 2.875 ( 1.393 0.000 -2.142) 2.555 2.920 ( -6.277 -0.000 -2.954) 6.937 3.065 ( -2.659 -0.000 -6.246) 6.788 3.154 ( -2.381 -0.000 -8.521) 8.848 3.203 ( -0.597 -0.000 -6.930) 6.956 3.229 ( 0.942 0.000 -5.014) 5.102 3.365 ( 5.581 0.000 -10.260) 11.680 3.567 ( 0.526 0.000 -4.664) 4.694 3.568 ( 2.966 0.000 0.168) 2.971 3.677 ( -5.353 -0.000 0.498) 5.377 3.831 ( 10.442 0.000 -0.689) 10.464 3.884 ( -9.105 -0.000 0.544) 9.122 4.013 ( 9.417 0.000 -2.841) 9.836 4.170 ( -2.327 -0.000 8.688) 8.994 4.189 ( -1.045 -0.000 0.333) 1.097 4.244 ( -3.476 -0.000 -1.120) 3.652 4.320 ( -5.652 -0.000 5.871) 8.149 4.451 ( 1.949 0.000 2.774) 3.390 4.532 ( -0.837 -0.000 0.225) 0.867 4.578 ( 2.348 0.000 3.122) 3.906 4.584 ( 0.151 0.000 0.130) 0.199 4.699 ( 1.824 0.000 3.947) 4.348 4.763 ( 0.058 0.000 -3.633) 3.633 4.832 ( 1.610 0.000 -1.255) 2.042 4.909 ( -14.593 -0.000 0.093) 14.593 5.085 ( 0.853 0.000 -1.187) 1.461 5.411 ( 11.732 0.000 -4.348) 12.512 5.654 ( 0.881 0.000 2.539) 2.687 5.956 ( -1.539 -0.000 0.276) 1.563 7.126 ( 20.997 0.000 -0.466) 21.002 7.379 ( -0.691 -0.000 -2.086) 2.198 8.833 ( 0.863 0.000 -0.369) 0.938 8.943 ( -0.478 -0.000 -0.603) 0.769 10.617 ( 0.830 0.000 3.168) 3.275 10.632 ( -2.860 -0.000 2.492) 3.793 10.779 ( 0.730 0.000 0.234) 0.767 10.894 ( -12.939 -0.000 -0.480) 12.948 11.546 ( -3.960 -0.000 1.203) 4.139 11.703 ( 0.292 0.000 0.091) 0.305 13.893 ( 0.501 0.000 0.138) 0.520 13.904 ( 0.293 0.000 0.351) 0.457 ======================= Grid point 52 (18/116) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 15.115 -4.558 15.137) 21.872 0.958 ( 25.012 -17.980 12.226) 33.142 1.545 ( 12.237 -4.856 38.531) 40.718 1.692 ( 12.427 -1.812 1.512) 12.649 1.807 ( -2.182 -5.273 -6.373) 8.555 2.098 ( -0.159 2.154 -0.424) 2.201 2.159 ( 2.698 -1.640 1.438) 3.469 2.404 ( -6.430 0.836 -9.123) 11.193 2.474 ( -10.177 -2.171 -4.646) 11.396 2.513 ( -3.064 1.466 1.497) 3.712 2.575 ( -4.091 -1.431 -0.773) 4.402 2.717 ( -0.481 2.651 -9.537) 9.910 2.769 ( -3.329 -0.446 -6.606) 7.411 2.776 ( -2.691 -0.631 0.126) 2.767 2.849 ( -3.637 1.865 -0.546) 4.124 2.904 ( -3.024 1.158 0.676) 3.308 3.008 ( 0.232 8.629 -6.166) 10.608 3.173 ( 2.900 -3.941 -2.537) 5.512 3.309 ( 3.915 2.785 -9.228) 10.404 3.360 ( 6.009 -1.241 3.170) 6.907 3.513 ( -0.415 -0.388 -4.288) 4.325 3.628 ( -1.406 2.107 0.802) 2.657 3.660 ( 2.295 1.831 3.302) 4.419 3.721 ( -8.002 -2.036 1.740) 8.439 3.991 ( 5.591 4.890 -1.270) 7.536 4.061 ( 0.273 1.728 -1.656) 2.409 4.122 ( -7.057 2.103 -2.358) 7.732 4.194 ( 1.452 0.342 0.160) 1.500 4.219 ( -0.135 1.066 6.180) 6.273 4.320 ( -2.150 -0.955 4.895) 5.431 4.470 ( 0.240 0.289 0.078) 0.384 4.546 ( 0.430 -3.338 -0.488) 3.401 4.586 ( 1.218 -1.538 -1.237) 2.319 4.621 ( 0.480 -0.991 -0.757) 1.336 4.736 ( -0.402 -0.571 -1.303) 1.478 4.747 ( -4.295 1.349 3.873) 5.939 4.806 ( -1.031 -1.667 1.604) 2.533 4.858 ( 2.337 -0.477 -0.823) 2.523 5.117 ( 3.065 -3.147 -0.872) 4.478 5.450 ( 5.327 4.176 -6.331) 9.268 5.706 ( 1.290 -0.760 3.363) 3.682 5.927 ( -2.164 -0.833 -1.208) 2.615 7.281 ( 7.985 6.805 -1.395) 10.584 7.347 ( -0.959 -2.649 -3.602) 4.573 8.843 ( 0.778 0.251 0.091) 0.822 8.922 ( -0.927 0.088 -1.103) 1.443 10.596 ( -3.504 -0.028 4.996) 6.103 10.693 ( -0.127 -4.327 2.691) 5.097 10.782 ( 1.210 1.428 1.245) 2.248 10.834 ( -3.020 -5.738 0.464) 6.501 11.502 ( -2.416 -0.594 -0.075) 2.489 11.700 ( -1.231 -0.255 0.541) 1.368 13.906 ( 0.614 0.133 0.362) 0.725 13.914 ( 0.213 -0.570 0.399) 0.727 ======================= Grid point 53 (19/116) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 17.452 -2.636 11.447) 21.037 1.590 ( 19.672 -16.070 11.965) 28.079 1.695 ( -5.431 -7.141 -8.093) 12.082 1.906 ( 7.901 1.709 -5.388) 9.715 2.026 ( -1.299 -0.902 -4.401) 4.677 2.088 ( 6.281 -2.696 6.861) 9.685 2.166 ( -6.609 -5.232 -11.836) 14.531 2.280 ( 2.698 -0.740 7.590) 8.089 2.313 ( 2.571 -1.458 -1.739) 3.429 2.479 ( -2.256 2.411 -6.993) 7.734 2.547 ( -0.472 -8.084 1.371) 8.213 2.603 ( 0.126 -1.739 3.151) 3.601 2.662 ( 1.465 -2.096 -11.462) 11.743 2.687 ( -2.471 3.399 -3.403) 5.408 2.771 ( -3.614 4.763 0.354) 5.989 2.885 ( -0.868 7.681 4.013) 8.710 3.022 ( -0.991 -1.381 13.659) 13.764 3.216 ( 6.613 3.821 -3.980) 8.613 3.283 ( 0.239 0.987 0.970) 1.404 3.409 ( -3.278 5.523 -2.522) 6.900 3.475 ( -0.532 -0.234 2.269) 2.342 3.556 ( -8.561 0.238 2.446) 8.907 3.698 ( 3.545 0.062 2.787) 4.510 3.735 ( 0.808 0.591 -1.266) 1.614 3.802 ( -8.735 6.632 -4.029) 11.684 4.002 ( -3.396 -0.401 -0.553) 3.464 4.103 ( 3.998 3.923 0.599) 5.633 4.217 ( 0.919 1.715 0.533) 2.018 4.264 ( 0.033 0.359 2.723) 2.746 4.327 ( -1.783 2.095 3.496) 4.449 4.473 ( 0.392 -0.863 -2.242) 2.434 4.548 ( -0.557 -2.811 -3.905) 4.843 4.597 ( 1.027 -0.193 -2.340) 2.563 4.654 ( 0.933 -3.664 -0.176) 3.785 4.692 ( -0.966 -0.883 0.067) 1.311 4.739 ( -1.464 -1.752 0.528) 2.343 4.840 ( 1.018 0.965 3.520) 3.789 4.877 ( 0.725 -0.094 -1.141) 1.355 5.206 ( 4.220 -5.277 -1.013) 6.833 5.415 ( 2.329 3.932 -5.258) 6.966 5.770 ( 1.627 -0.964 3.251) 3.761 5.878 ( -2.864 -1.046 -2.242) 3.784 7.282 ( -1.036 -0.729 -3.156) 3.401 7.352 ( 3.871 1.940 -0.672) 4.381 8.856 ( 0.875 0.444 0.455) 1.082 8.893 ( -0.996 0.215 -1.332) 1.677 10.604 ( -2.855 -2.988 3.268) 5.269 10.717 ( -1.869 2.002 3.383) 4.352 10.825 ( 0.068 -6.787 -0.888) 6.845 10.844 ( 2.220 2.620 0.202) 3.440 11.489 ( 0.030 -0.821 0.089) 0.826 11.683 ( -2.338 -0.156 1.655) 2.868 13.910 ( -0.159 0.050 0.102) 0.196 13.929 ( 0.476 -0.561 0.155) 0.752 ======================= Grid point 54 (20/116) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -7.568 -4.899 -4.851) 10.238 1.622 ( 11.502 -1.098 4.289) 12.325 1.755 ( -16.027 -2.754 -18.484) 24.619 1.806 ( -1.546 -2.478 -12.809) 13.137 2.023 ( 4.164 -6.254 -1.060) 7.588 2.088 ( 4.325 -5.701 3.139) 7.814 2.214 ( 12.052 -1.875 3.100) 12.585 2.313 ( 6.452 4.447 -10.624) 13.202 2.391 ( -1.576 1.205 -0.219) 1.997 2.497 ( 1.297 -3.764 6.099) 7.283 2.539 ( -4.425 -0.386 -0.600) 4.482 2.582 ( -3.719 5.720 -0.722) 6.860 2.661 ( 2.692 -2.162 -2.045) 4.013 2.760 ( 4.223 -2.553 5.025) 7.043 2.800 ( 6.294 -3.545 -2.800) 7.748 3.024 ( 4.191 -3.632 14.709) 15.720 3.088 ( -6.200 7.838 4.426) 10.930 3.178 ( -1.606 3.577 4.839) 6.228 3.221 ( -5.668 9.845 -1.228) 11.426 3.309 ( 2.473 2.941 3.270) 5.046 3.421 ( -0.530 3.353 0.074) 3.395 3.503 ( -2.484 -3.360 9.537) 10.413 3.623 ( -4.420 -1.626 1.929) 5.089 3.756 ( -0.872 0.291 -1.041) 1.389 3.796 ( 4.567 -0.236 -2.799) 5.362 3.973 ( -3.003 -3.684 0.210) 4.758 4.134 ( 3.311 3.487 0.082) 4.809 4.183 ( -0.924 5.004 -1.345) 5.263 4.268 ( -0.486 1.195 -0.113) 1.295 4.315 ( -0.879 1.745 2.688) 3.324 4.434 ( -0.066 -1.399 -6.068) 6.227 4.513 ( -0.576 -3.394 -5.477) 6.469 4.609 ( 0.540 -1.081 1.344) 1.808 4.687 ( 0.696 0.080 2.952) 3.034 4.715 ( 0.742 -1.724 -0.759) 2.024 4.749 ( 1.104 -0.887 -0.103) 1.420 4.847 ( -1.858 0.984 -0.456) 2.152 4.893 ( 1.389 0.055 1.726) 2.216 5.296 ( 3.262 -3.521 -2.123) 5.249 5.365 ( 1.292 2.219 -3.599) 4.421 5.800 ( -2.740 -0.293 -2.396) 3.652 5.845 ( 1.187 -0.980 2.306) 2.773 7.225 ( -3.249 -4.643 -5.979) 8.238 7.394 ( 3.878 3.869 1.228) 5.613 8.859 ( -0.523 0.416 -1.139) 1.320 8.879 ( 1.054 0.265 0.509) 1.200 10.614 ( -2.361 -3.647 0.960) 4.449 10.685 ( -2.243 4.323 2.778) 5.607 10.834 ( -0.850 -2.247 -1.967) 3.105 10.882 ( 2.859 1.467 0.665) 3.282 11.515 ( 1.809 -0.682 0.396) 1.974 11.668 ( -2.700 0.089 3.512) 4.431 13.905 ( -0.256 -0.002 -0.333) 0.420 13.935 ( -0.056 -0.295 -0.340) 0.454 ======================= Grid point 55 (21/116) ======================= q-point: (-0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -15.854 2.964 -11.365) 19.731 1.322 ( -22.837 -4.335 -11.043) 25.734 1.716 ( 0.196 -6.053 -10.101) 11.777 1.871 ( 8.346 3.165 5.887) 10.693 2.109 ( 5.443 -0.622 -4.960) 7.390 2.183 ( 4.789 -1.096 2.883) 5.696 2.260 ( -1.972 7.429 -5.347) 9.364 2.321 ( -3.419 -2.358 0.259) 4.162 2.410 ( -6.447 3.244 -1.679) 7.410 2.464 ( -3.441 2.910 -4.113) 6.101 2.497 ( -2.571 3.214 3.060) 5.129 2.574 ( 1.052 -0.386 3.102) 3.298 2.683 ( 0.798 -0.604 1.079) 1.472 2.760 ( 6.561 -3.975 3.556) 8.455 2.831 ( -1.850 2.620 3.954) 5.091 2.920 ( -5.091 2.157 0.522) 5.554 3.073 ( 1.528 0.520 3.514) 3.867 3.213 ( 5.836 2.420 0.838) 6.373 3.342 ( 6.260 1.506 0.579) 6.464 3.392 ( 2.345 -4.891 2.806) 6.107 3.540 ( 0.370 -1.847 7.216) 7.458 3.625 ( 7.583 -2.526 6.009) 9.999 3.653 ( -1.800 -1.215 0.843) 2.330 3.732 ( -1.245 -2.915 10.900) 11.352 3.791 ( -0.269 -1.631 -3.394) 3.776 3.939 ( -2.180 0.137 -2.626) 3.416 4.088 ( -1.910 3.530 -3.029) 5.028 4.147 ( 0.960 1.872 -0.703) 2.218 4.222 ( -1.456 0.763 -3.983) 4.309 4.320 ( -0.186 -0.811 0.640) 1.050 4.408 ( 1.266 -1.614 -3.184) 3.787 4.521 ( 3.488 -2.188 -2.702) 4.925 4.640 ( 0.573 0.915 2.273) 2.516 4.709 ( -0.976 -0.360 2.318) 2.540 4.747 ( 1.034 0.372 0.575) 1.240 4.758 ( 0.374 2.710 0.139) 2.739 4.794 ( -2.631 0.171 1.298) 2.939 4.921 ( 0.457 -0.328 0.522) 0.768 5.269 ( -0.616 4.394 -2.843) 5.270 5.395 ( 2.771 -5.146 -3.652) 6.892 5.719 ( -3.150 0.588 -2.760) 4.230 5.903 ( 1.795 -0.445 2.330) 2.975 7.141 ( -4.091 -5.965 -8.344) 11.043 7.424 ( 2.682 4.418 1.340) 5.339 8.836 ( -0.107 0.229 -1.421) 1.443 8.906 ( 1.379 0.180 0.966) 1.693 10.605 ( -1.374 -0.400 -0.817) 1.648 10.647 ( -2.109 1.616 2.650) 3.753 10.810 ( -0.434 0.078 -2.620) 2.657 10.911 ( 2.339 4.270 2.092) 5.299 11.555 ( 1.199 -0.991 1.290) 2.020 11.668 ( -1.810 0.799 4.176) 4.621 13.897 ( -0.043 0.013 -0.582) 0.584 13.926 ( -0.509 0.071 -0.751) 0.910 ======================= Grid point 56 (22/116) ======================= q-point: (-0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -18.239 8.009 -3.257) 20.184 0.899 ( -27.895 -4.195 -1.665) 28.258 1.674 ( -23.986 16.683 -0.737) 29.227 1.712 ( -11.837 4.018 -0.454) 12.508 1.943 ( 0.900 2.624 1.804) 3.309 2.079 ( 0.519 6.712 -3.557) 7.614 2.168 ( -10.647 4.217 1.953) 11.617 2.308 ( 8.455 2.573 -4.585) 9.956 2.427 ( 8.000 -2.488 1.463) 8.504 2.522 ( 5.762 0.807 0.530) 5.843 2.578 ( 2.290 0.861 0.961) 2.628 2.598 ( -1.536 0.559 -0.061) 1.635 2.712 ( 6.773 -13.770 1.233) 15.395 2.805 ( 0.814 -0.081 1.277) 1.516 2.920 ( 0.420 -5.015 4.071) 6.473 3.061 ( 6.761 -5.582 2.423) 9.096 3.122 ( 0.438 0.808 4.833) 4.920 3.221 ( -1.062 0.007 -0.950) 1.425 3.439 ( 8.071 -0.229 -1.999) 8.318 3.486 ( 2.106 -0.632 -1.803) 2.844 3.540 ( -1.673 4.894 2.479) 5.736 3.610 ( -2.139 -1.597 -9.694) 10.055 3.617 ( -2.916 -3.078 1.160) 4.396 3.778 ( -3.048 2.125 -2.234) 4.336 3.909 ( 2.841 -0.077 -7.160) 7.703 3.962 ( 2.025 -4.144 12.073) 12.924 4.072 ( 1.443 -3.542 6.483) 7.527 4.140 ( 0.443 0.766 -2.880) 3.013 4.183 ( 1.199 -1.595 2.559) 3.245 4.335 ( -1.114 -1.815 1.236) 2.462 4.431 ( 2.552 -1.726 -1.419) 3.392 4.558 ( 2.513 1.119 -1.669) 3.217 4.647 ( -0.007 3.773 -0.152) 3.776 4.677 ( -0.505 0.826 -3.753) 3.875 4.689 ( -2.467 6.690 0.795) 7.174 4.782 ( 0.912 -1.372 1.970) 2.567 4.836 ( -1.235 -2.517 7.285) 7.806 4.925 ( -0.045 0.187 1.418) 1.431 5.183 ( -1.657 4.853 -2.100) 5.542 5.414 ( -0.238 -7.106 -8.456) 11.048 5.652 ( -1.480 0.987 -1.359) 2.239 5.949 ( 1.000 0.363 2.085) 2.341 7.027 ( -4.823 -5.479 -10.682) 12.938 7.428 ( 1.217 4.070 0.588) 4.289 8.825 ( 0.494 0.025 -1.276) 1.368 8.933 ( 0.976 0.033 0.760) 1.237 10.572 ( -1.000 2.131 0.661) 2.445 10.648 ( -0.554 -0.933 1.648) 1.973 10.770 ( -1.397 -0.233 -2.213) 2.628 10.940 ( 5.848 10.455 4.686) 12.863 11.589 ( -1.552 -1.590 3.470) 4.120 11.677 ( 0.245 1.641 2.065) 2.649 13.893 ( 0.181 -0.013 -0.487) 0.520 13.908 ( -0.396 0.451 -0.733) 0.948 ======================= Grid point 57 (23/116) ======================= q-point: (-0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -26.669 -1.847 8.791) 28.141 0.571 ( -14.596 5.780 27.633) 31.781 0.934 ( -34.984 28.687 11.265) 46.623 1.634 ( -9.618 0.476 2.303) 9.901 1.952 ( -1.085 1.525 -1.048) 2.145 1.988 ( -0.472 2.961 1.714) 3.453 2.051 ( 0.434 2.986 0.868) 3.139 2.397 ( 10.133 0.969 -6.166) 11.902 2.522 ( 0.495 0.850 1.231) 1.575 2.596 ( 5.109 -1.654 3.691) 6.517 2.628 ( 2.582 -0.678 1.546) 3.085 2.702 ( 8.482 -2.318 4.564) 9.907 2.812 ( -0.411 -1.057 -1.108) 1.585 2.933 ( -7.627 -1.870 2.678) 8.297 2.960 ( 2.443 -13.757 0.033) 13.972 3.080 ( -0.468 -2.200 -2.439) 3.318 3.158 ( -2.584 3.194 1.364) 4.329 3.271 ( 5.414 -0.333 2.801) 6.105 3.391 ( -4.091 0.495 -14.636) 15.205 3.438 ( -2.390 -1.476 -10.484) 10.854 3.520 ( 2.213 -1.841 -0.716) 2.966 3.578 ( 6.184 1.806 -2.271) 6.831 3.656 ( 3.318 -2.633 -3.423) 5.446 3.723 ( 0.463 -0.946 2.136) 2.381 3.897 ( 8.109 -1.220 -6.642) 10.553 4.058 ( -4.311 1.722 -0.434) 4.663 4.100 ( -2.195 -1.225 10.473) 10.770 4.227 ( 0.942 -1.515 4.040) 4.416 4.268 ( 1.787 0.616 2.876) 3.442 4.336 ( -4.778 -2.341 6.405) 8.327 4.473 ( 1.117 -0.721 -7.505) 7.622 4.517 ( -3.424 1.244 -1.392) 3.900 4.557 ( 0.812 2.917 -1.881) 3.564 4.608 ( -0.751 5.962 0.245) 6.014 4.672 ( 0.846 1.466 0.626) 1.804 4.800 ( -0.452 0.600 -0.232) 0.786 4.838 ( -0.753 -0.876 -3.285) 3.482 5.074 ( 5.114 -3.644 7.999) 10.169 5.125 ( 2.800 3.370 3.309) 5.491 5.281 ( -12.988 -11.307 -15.960) 23.479 5.633 ( 0.195 0.811 0.731) 1.109 5.968 ( -0.438 0.666 1.598) 1.786 6.889 ( -2.535 0.176 -2.054) 3.267 7.408 ( 0.089 2.506 -0.649) 2.591 8.825 ( 0.830 -0.092 -0.886) 1.217 8.948 ( 0.219 -0.015 0.121) 0.250 10.568 ( -0.641 -0.762 2.730) 2.906 10.658 ( -0.238 1.165 0.481) 1.282 10.752 ( 0.018 -1.882 0.196) 1.892 11.021 ( 10.709 14.062 2.876) 17.908 11.591 ( -3.818 0.082 3.611) 5.256 11.691 ( 1.448 0.890 0.090) 1.702 13.890 ( -0.060 -0.030 -0.300) 0.308 13.899 ( 0.501 0.592 -0.137) 0.788 ======================= Grid point 59 (24/116) ======================= q-point: ( 0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 22.412 0.000 9.442) 24.320 1.397 ( 24.259 0.000 11.779) 26.967 1.628 ( -5.518 -0.000 -8.975) 10.536 1.937 ( 12.104 0.000 -2.059) 12.278 2.023 ( -4.023 -0.000 -9.527) 10.341 2.065 ( 10.110 0.000 18.861) 21.400 2.096 ( -5.517 -0.000 -14.542) 15.553 2.286 ( -1.784 -0.000 -2.310) 2.919 2.304 ( 7.333 0.000 6.162) 9.578 2.455 ( -7.329 -0.000 3.865) 8.286 2.502 ( -3.755 -0.000 -8.916) 9.674 2.591 ( 0.574 0.000 -0.635) 0.856 2.627 ( 4.661 0.000 -15.711) 16.388 2.725 ( -5.270 -0.000 -0.519) 5.295 2.832 ( -3.803 -0.000 3.241) 4.997 2.955 ( -2.447 -0.000 10.507) 10.788 3.032 ( -0.280 -0.000 0.115) 0.303 3.212 ( 1.766 0.000 9.063) 9.234 3.302 ( 4.063 0.000 -6.681) 7.819 3.462 ( -1.912 -0.000 -3.161) 3.694 3.487 ( 4.515 0.000 3.735) 5.860 3.527 ( -9.731 -0.000 2.073) 9.949 3.700 ( 1.214 0.000 3.859) 4.046 3.741 ( 3.719 0.000 -1.892) 4.173 3.924 ( -11.978 -0.000 -2.440) 12.224 3.948 ( -7.961 -0.000 -4.132) 8.969 4.127 ( 0.757 0.000 2.154) 2.283 4.224 ( -0.092 -0.000 2.896) 2.897 4.267 ( 1.641 0.000 3.423) 3.796 4.362 ( -0.103 -0.000 3.539) 3.540 4.480 ( 1.449 0.000 -1.927) 2.410 4.531 ( 1.131 0.000 -5.015) 5.141 4.573 ( 2.377 0.000 -2.829) 3.695 4.620 ( 1.807 0.000 -1.169) 2.152 4.677 ( -3.224 -0.000 -1.047) 3.390 4.724 ( -0.934 -0.000 2.038) 2.242 4.858 ( 1.263 0.000 3.328) 3.559 4.873 ( 0.556 0.000 -0.491) 0.741 5.153 ( 4.182 0.000 -0.557) 4.219 5.454 ( 2.159 0.000 -6.344) 6.702 5.762 ( 1.862 0.000 3.401) 3.877 5.868 ( -2.380 -0.000 -2.652) 3.563 7.260 ( -2.565 -0.000 -4.926) 5.554 7.392 ( 5.354 0.000 -1.405) 5.535 8.860 ( 0.834 0.000 0.563) 1.006 8.895 ( -1.079 -0.000 -1.247) 1.649 10.578 ( -3.686 -0.000 3.866) 5.341 10.694 ( -0.684 -0.000 3.376) 3.445 10.781 ( -1.769 -0.000 1.244) 2.162 10.885 ( 5.244 0.000 0.975) 5.334 11.480 ( 0.445 0.000 -0.437) 0.624 11.681 ( -2.378 -0.000 1.726) 2.938 13.911 ( -0.292 -0.000 0.116) 0.314 13.924 ( 0.807 0.000 0.093) 0.812 ======================= Grid point 60 (25/116) ======================= q-point: ( 0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -7.334 -3.065 -9.468) 12.362 1.628 ( 18.871 1.715 5.416) 19.708 1.754 ( -8.861 1.319 -21.795) 23.565 1.784 ( -6.150 -0.633 -14.336) 15.613 1.911 ( 10.451 -4.957 6.550) 13.293 1.957 ( 3.878 -6.239 -0.880) 7.398 2.254 ( 9.879 3.620 -1.854) 10.684 2.374 ( 1.903 2.221 -6.920) 7.512 2.407 ( 3.272 0.679 -0.073) 3.343 2.443 ( 1.533 -1.373 6.521) 6.838 2.515 ( 1.643 -2.576 -5.031) 5.886 2.597 ( 8.036 -5.187 -3.913) 10.335 2.636 ( -2.432 0.752 -1.896) 3.174 2.771 ( -2.994 2.797 0.855) 4.186 2.784 ( 5.246 1.589 16.024) 16.936 2.987 ( 0.070 -0.239 8.831) 8.834 3.099 ( 3.383 -2.727 9.288) 10.254 3.276 ( -3.603 4.486 -0.316) 5.762 3.351 ( 0.740 4.576 2.337) 5.191 3.386 ( -3.080 3.402 0.760) 4.651 3.424 ( -5.517 -4.353 11.141) 13.173 3.508 ( -7.687 5.103 1.968) 9.434 3.644 ( -6.323 5.082 -0.608) 8.135 3.747 ( -3.441 -2.313 -2.629) 4.909 3.785 ( 4.742 -0.488 0.042) 4.767 3.856 ( -4.965 -8.137 -2.124) 9.766 4.142 ( -1.275 -0.755 2.525) 2.928 4.223 ( -3.760 1.138 2.840) 4.848 4.331 ( 3.546 2.434 1.922) 4.711 4.350 ( -2.912 1.798 0.268) 3.433 4.433 ( 0.646 1.537 -8.332) 8.497 4.467 ( -0.324 -1.969 -6.963) 7.243 4.618 ( 4.535 0.593 -0.570) 4.609 4.653 ( 2.686 -0.991 0.232) 2.872 4.689 ( 2.274 -2.475 -0.095) 3.363 4.739 ( -0.492 0.132 3.167) 3.208 4.863 ( -1.157 0.571 0.293) 1.323 4.895 ( 0.770 0.155 1.144) 1.388 5.225 ( 3.909 -2.862 -1.026) 4.952 5.413 ( 1.127 1.867 -4.869) 5.335 5.799 ( -2.118 0.154 -3.162) 3.809 5.830 ( 2.046 -0.682 2.566) 3.352 7.165 ( -3.498 -1.904 -5.945) 7.156 7.453 ( 4.738 2.237 -0.157) 5.242 8.865 ( -0.848 0.263 -1.193) 1.487 8.882 ( 1.039 0.076 0.864) 1.353 10.565 ( -2.715 -1.688 1.913) 3.725 10.721 ( -1.198 -2.646 2.289) 3.699 10.755 ( -2.758 0.584 1.250) 3.084 10.965 ( 6.457 3.128 -1.035) 7.249 11.508 ( 2.887 -0.117 0.269) 2.902 11.664 ( -3.218 -0.348 3.608) 4.847 13.905 ( -0.300 -0.022 -0.341) 0.455 13.932 ( 0.371 -0.085 -0.408) 0.558 ======================= Grid point 61 (26/116) ======================= q-point: (-0.57 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -8.352 1.906 -6.964) 11.040 1.358 ( -11.530 6.472 -17.158) 21.662 1.609 ( -2.655 -6.505 -11.142) 13.172 1.875 ( 8.559 -9.049 -3.389) 12.908 1.985 ( 8.576 -0.540 1.698) 8.760 2.190 ( 2.491 0.535 3.966) 4.714 2.322 ( -1.973 1.329 0.743) 2.492 2.390 ( 1.556 2.831 -5.574) 6.442 2.434 ( 5.447 2.354 -3.907) 7.105 2.472 ( 6.368 4.811 -1.364) 8.097 2.522 ( 0.679 -3.885 7.652) 8.609 2.643 ( 7.917 -5.587 -1.140) 9.757 2.655 ( -2.735 4.067 2.306) 5.416 2.780 ( -3.504 3.216 -0.552) 4.789 2.838 ( -3.264 3.946 3.464) 6.183 3.014 ( -5.779 3.759 2.942) 7.496 3.126 ( -10.469 8.602 -0.605) 13.563 3.207 ( 3.521 -2.342 4.814) 6.408 3.301 ( -4.595 -3.868 -3.054) 6.738 3.361 ( 2.868 0.724 5.458) 6.208 3.494 ( 7.654 -2.465 9.185) 12.207 3.600 ( 2.146 -2.649 2.977) 4.526 3.641 ( 0.794 -1.358 15.910) 15.988 3.688 ( -3.652 -1.046 0.397) 3.819 3.780 ( -1.674 -0.781 -5.410) 5.716 3.874 ( -2.665 -6.667 1.887) 7.424 4.133 ( -5.679 1.837 -0.411) 5.983 4.151 ( -1.475 0.731 -0.555) 1.737 4.249 ( -2.488 1.316 -6.365) 6.960 4.305 ( -0.868 -0.384 -6.099) 6.173 4.416 ( 2.567 1.392 -0.887) 3.052 4.485 ( 5.970 -2.200 -0.496) 6.382 4.671 ( 2.596 2.608 2.565) 4.486 4.703 ( -1.478 0.313 0.820) 1.719 4.731 ( 3.585 -1.723 0.256) 3.986 4.773 ( 1.058 -0.480 1.430) 1.842 4.833 ( -1.501 2.753 0.616) 3.196 4.907 ( -0.232 -1.187 -0.113) 1.215 5.283 ( 1.676 -3.046 -2.571) 4.324 5.368 ( 1.142 2.399 -3.633) 4.501 5.729 ( -2.097 0.495 -3.139) 3.807 5.896 ( 2.536 -0.370 2.208) 3.383 7.066 ( -3.902 -2.781 -6.300) 7.915 7.496 ( 3.738 3.556 0.144) 5.162 8.841 ( -0.383 0.231 -1.251) 1.329 8.909 ( 1.217 0.172 1.060) 1.623 10.560 ( -1.575 -2.826 0.167) 3.239 10.710 ( -2.588 3.153 1.991) 4.539 10.742 ( -2.111 -3.939 0.748) 4.532 11.021 ( 7.691 5.165 -2.049) 9.488 11.559 ( 2.467 1.294 1.324) 3.084 11.665 ( -2.493 -1.069 4.735) 5.457 13.897 ( -0.085 -0.058 -0.583) 0.592 13.928 ( 0.010 0.178 -0.787) 0.807 ======================= Grid point 62 (27/116) ======================= q-point: (-0.43 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -9.953 13.418 -4.204) 17.228 0.981 ( -10.437 12.178 -2.429) 16.221 1.585 ( -0.598 -8.195 -2.156) 8.495 2.004 ( -1.044 5.581 0.818) 5.736 2.093 ( -8.512 3.035 0.005) 9.037 2.178 ( -3.410 4.189 -0.742) 5.452 2.183 ( -6.011 5.930 0.533) 8.461 2.363 ( 6.204 -0.823 -1.529) 6.442 2.402 ( 2.818 6.845 -4.071) 8.448 2.464 ( 3.647 0.298 2.950) 4.700 2.586 ( 2.801 1.681 1.718) 3.691 2.619 ( 2.963 2.609 -0.237) 3.954 2.640 ( -2.821 -1.322 -1.361) 3.400 2.801 ( -4.637 -2.047 1.672) 5.337 2.895 ( -0.815 5.737 1.127) 5.903 2.951 ( 11.537 -6.075 3.976) 13.632 3.086 ( -1.273 -4.567 3.327) 5.792 3.203 ( -1.784 -2.218 -3.153) 4.248 3.372 ( 0.605 -9.066 1.792) 9.262 3.436 ( 1.610 -3.784 -0.237) 4.119 3.553 ( 3.102 -2.270 -5.525) 6.730 3.613 ( -4.062 1.609 -1.181) 4.526 3.634 ( -5.153 2.733 -6.252) 8.550 3.779 ( -0.788 -2.552 4.776) 5.472 3.874 ( 2.260 -4.767 13.511) 14.505 3.936 ( 3.865 1.336 -0.306) 4.101 4.021 ( -5.581 -1.352 1.101) 5.847 4.116 ( 0.688 -2.273 0.958) 2.561 4.158 ( -0.604 0.812 -3.465) 3.610 4.285 ( 0.218 -3.986 -1.723) 4.348 4.441 ( 2.737 1.208 -0.124) 2.994 4.605 ( 8.022 2.996 -1.139) 8.639 4.651 ( -5.768 -2.716 0.230) 6.379 4.713 ( 2.164 3.275 1.628) 4.250 4.760 ( -0.601 0.357 0.600) 0.921 4.785 ( -0.881 3.608 -0.123) 3.717 4.819 ( 1.012 -0.203 3.267) 3.427 4.911 ( -0.507 -1.476 0.287) 1.587 5.257 ( -1.290 1.685 -3.460) 4.059 5.331 ( -0.732 -0.609 -5.204) 5.290 5.673 ( -0.921 1.228 -1.442) 2.106 5.955 ( 2.115 0.303 1.900) 2.859 6.968 ( -3.565 -1.669 -5.151) 6.483 7.507 ( 2.097 4.697 -0.253) 5.150 8.826 ( 0.221 0.074 -1.190) 1.213 8.935 ( 0.886 0.123 0.788) 1.192 10.571 ( 0.184 -3.016 -0.671) 3.095 10.663 ( -2.587 3.015 2.466) 4.676 10.737 ( -2.286 -1.890 0.254) 2.977 11.092 ( 10.034 5.578 -2.063) 11.664 11.585 ( -0.902 1.271 4.289) 4.563 11.692 ( 0.204 -0.002 2.482) 2.490 13.892 ( 0.117 -0.041 -0.450) 0.466 13.917 ( 0.096 0.574 -0.739) 0.941 ======================= Grid point 63 (28/116) ======================= q-point: (-0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -2.504 22.136 6.133) 23.106 0.773 ( -5.386 17.713 19.394) 26.812 1.492 ( -27.271 34.128 6.868) 44.222 1.636 ( -2.724 -1.674 4.488) 5.510 1.936 ( -3.369 0.539 2.187) 4.052 2.097 ( 0.265 5.305 -2.364) 5.814 2.186 ( -1.489 12.284 0.806) 12.401 2.382 ( 6.848 -2.232 -4.161) 8.318 2.519 ( 3.760 -5.404 2.379) 7.000 2.546 ( -2.419 -2.015 -0.501) 3.188 2.611 ( 2.201 -1.251 0.161) 2.537 2.689 ( 2.519 -11.667 1.831) 12.075 2.701 ( 9.628 0.392 -0.118) 9.637 2.774 ( -3.982 -4.164 1.278) 5.901 2.907 ( 0.773 0.486 -1.205) 1.512 3.032 ( 0.042 -2.505 -4.636) 5.270 3.166 ( 0.939 -2.308 3.110) 3.985 3.271 ( 3.813 -0.240 2.110) 4.364 3.386 ( -6.196 -3.895 -9.142) 11.711 3.405 ( -0.670 -0.963 -10.694) 10.759 3.468 ( -0.378 -3.913 -3.842) 5.497 3.552 ( 0.563 -7.157 -3.925) 8.182 3.624 ( 2.493 1.900 0.602) 3.192 3.756 ( 0.644 2.042 -0.560) 2.214 3.895 ( 1.862 -0.053 -7.144) 7.383 3.987 ( -2.601 -6.175 4.629) 8.144 4.068 ( -2.638 -2.402 6.557) 7.465 4.169 ( 1.596 -4.391 5.465) 7.190 4.237 ( 0.173 -1.027 6.425) 6.508 4.317 ( 0.612 -1.916 0.045) 2.012 4.471 ( 1.845 -0.211 -2.816) 3.373 4.533 ( -6.823 0.514 0.767) 6.885 4.647 ( 4.637 5.873 -5.631) 9.365 4.712 ( 0.900 4.378 -0.550) 4.504 4.719 ( -0.650 4.026 0.449) 4.103 4.792 ( 0.563 -2.354 -0.006) 2.420 4.833 ( -1.382 1.172 -0.380) 1.852 4.973 ( 0.659 -5.772 6.906) 9.024 5.167 ( -4.541 1.129 -4.155) 6.258 5.228 ( -1.349 4.565 -4.304) 6.418 5.654 ( 0.336 1.575 0.831) 1.813 5.986 ( 0.406 1.326 1.428) 1.991 6.902 ( -0.475 1.175 0.619) 1.410 7.478 ( 0.549 5.139 -1.108) 5.285 8.823 ( 0.667 -0.165 -0.917) 1.146 8.947 ( 0.179 0.021 0.116) 0.214 10.593 ( 0.735 0.813 0.555) 1.228 10.640 ( -1.495 -0.768 2.210) 2.777 10.721 ( -1.571 -1.247 0.947) 2.218 11.185 ( 10.414 4.151 -6.152) 12.788 11.598 ( -2.676 0.719 5.022) 5.736 11.711 ( 1.191 1.284 0.235) 1.767 13.891 ( 0.136 0.129 -0.122) 0.224 13.911 ( 0.543 0.724 -0.299) 0.953 ======================= Grid point 64 (29/116) ======================= q-point: (-0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 11.714 26.233 11.119) 30.806 0.780 ( -7.782 24.768 16.952) 31.006 1.111 ( -0.182 20.093 35.905) 41.145 1.606 ( 0.383 5.830 2.674) 6.426 1.947 ( -1.845 5.564 -1.645) 6.088 2.027 ( 0.675 -0.920 3.017) 3.226 2.133 ( 2.636 4.446 1.474) 5.374 2.468 ( 4.665 -1.082 -5.552) 7.332 2.516 ( -2.355 -1.489 1.548) 3.187 2.607 ( -1.708 -4.324 0.676) 4.698 2.682 ( 3.614 -5.995 1.252) 7.112 2.704 ( -7.462 -0.810 -4.223) 8.612 2.785 ( -1.320 -6.177 3.392) 7.170 2.844 ( -4.356 -0.925 0.534) 4.485 2.849 ( 0.821 -0.581 -1.262) 1.614 3.009 ( -1.314 -4.354 -7.808) 9.036 3.125 ( -5.192 -2.638 -12.342) 13.647 3.209 ( -0.577 0.018 -2.278) 2.350 3.270 ( 3.002 4.142 -7.107) 8.757 3.346 ( 4.237 -2.229 -10.587) 11.619 3.525 ( 3.703 -2.949 2.109) 5.182 3.583 ( -1.801 -1.646 -2.273) 3.335 3.620 ( -0.680 -2.551 0.754) 2.745 3.820 ( 4.980 -1.479 -1.133) 5.317 3.912 ( -2.006 -5.437 -5.463) 7.964 4.003 ( 2.920 0.434 -0.836) 3.068 4.115 ( -2.902 -6.495 7.014) 9.990 4.192 ( -3.140 0.736 1.780) 3.683 4.250 ( -5.226 -0.618 0.941) 5.346 4.316 ( -0.936 -0.185 2.076) 2.285 4.449 ( 2.810 2.338 1.926) 4.132 4.537 ( 0.355 -0.810 1.747) 1.958 4.604 ( 0.626 4.159 -0.775) 4.276 4.654 ( -0.151 4.852 -0.882) 4.934 4.711 ( -0.557 1.396 2.434) 2.860 4.785 ( -0.557 2.279 -1.904) 3.021 4.818 ( 2.533 -1.096 -1.680) 3.231 4.927 ( -10.753 0.903 0.406) 10.799 5.117 ( 2.251 3.290 -1.173) 4.155 5.301 ( 9.875 -6.023 1.696) 11.690 5.669 ( 0.894 1.360 2.483) 2.969 5.972 ( -1.482 1.648 0.271) 2.232 7.027 ( 10.000 -5.434 6.612) 13.162 7.420 ( -0.509 4.420 -2.274) 4.996 8.830 ( 0.814 -0.313 -0.440) 0.977 8.942 ( -0.498 -0.072 -0.636) 0.811 10.594 ( -1.429 2.038 4.130) 4.822 10.668 ( 1.490 -1.280 0.627) 2.062 10.738 ( -0.508 -2.603 2.082) 3.372 11.096 ( -4.193 11.498 -12.574) 17.547 11.562 ( -4.823 1.232 1.646) 5.243 11.712 ( 0.140 1.006 -0.154) 1.028 13.894 ( 0.427 0.192 0.234) 0.524 13.912 ( 0.351 0.709 0.119) 0.800 ======================= Grid point 67 (30/116) ======================= q-point: ( 0.29 -0.71 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 2.016 0.000 -7.686) 7.946 1.457 ( -5.158 -0.000 -17.225) 17.981 1.519 ( -7.553 -0.000 -12.129) 14.288 1.748 ( -0.060 -0.000 -5.809) 5.809 2.020 ( 12.795 0.000 2.682) 13.073 2.178 ( 3.595 0.000 6.461) 7.394 2.339 ( -3.144 -0.000 1.909) 3.678 2.409 ( -1.402 -0.000 -6.194) 6.351 2.458 ( 16.705 0.000 -0.463) 16.712 2.468 ( 1.855 0.000 6.703) 6.955 2.571 ( 10.222 0.000 -7.186) 12.495 2.576 ( 0.008 0.000 -5.172) 5.172 2.708 ( 3.647 0.000 4.417) 5.728 2.721 ( -4.840 -0.000 3.144) 5.771 2.932 ( -0.813 -0.000 5.603) 5.662 3.018 ( 0.701 0.000 2.579) 2.673 3.211 ( -6.477 -0.000 1.876) 6.743 3.214 ( -7.458 -0.000 -2.268) 7.795 3.317 ( -17.341 -0.000 -0.256) 17.343 3.371 ( 2.840 0.000 -1.196) 3.081 3.478 ( 10.842 0.000 16.276) 19.556 3.501 ( -9.541 -0.000 3.886) 10.302 3.629 ( 1.269 0.000 15.814) 15.865 3.688 ( 1.151 0.000 3.083) 3.291 3.747 ( -1.111 -0.000 -6.883) 6.972 3.828 ( -0.818 -0.000 0.830) 1.165 4.142 ( -0.994 -0.000 1.484) 1.786 4.165 ( -7.048 -0.000 1.334) 7.173 4.260 ( -2.916 -0.000 -6.764) 7.365 4.309 ( -1.690 -0.000 -11.052) 11.181 4.440 ( 1.524 0.000 1.192) 1.935 4.448 ( 6.614 0.000 -0.810) 6.663 4.705 ( 1.964 0.000 0.808) 2.123 4.709 ( 0.961 0.000 0.454) 1.063 4.713 ( 6.545 0.000 -0.035) 6.545 4.760 ( -0.464 -0.000 2.555) 2.597 4.863 ( -0.786 -0.000 2.454) 2.577 4.890 ( -0.868 -0.000 -1.811) 2.008 5.251 ( 2.366 0.000 -1.713) 2.921 5.394 ( 1.113 0.000 -3.966) 4.119 5.733 ( -1.624 -0.000 -3.362) 3.734 5.893 ( 2.847 0.000 2.174) 3.582 7.043 ( -3.446 -0.000 -5.508) 6.498 7.529 ( 4.165 0.000 -0.552) 4.202 8.843 ( -0.499 -0.000 -1.213) 1.312 8.911 ( 1.159 0.000 1.111) 1.606 10.534 ( -1.873 -0.000 0.687) 1.995 10.694 ( -2.550 -0.000 1.143) 2.795 10.750 ( -1.363 -0.000 2.684) 3.011 11.064 ( 7.650 0.000 -3.883) 8.579 11.579 ( 5.002 0.000 0.729) 5.055 11.648 ( -4.484 -0.000 5.818) 7.346 13.896 ( -0.083 -0.000 -0.585) 0.591 13.930 ( 0.215 0.000 -0.809) 0.837 ======================= Grid point 69 (31/116) ======================= q-point: (-0.57 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -6.340 13.036 -3.542) 14.922 1.255 ( 9.264 16.001 -3.247) 18.772 1.418 ( -2.629 -11.164 -1.688) 11.593 1.808 ( 6.085 -17.385 -2.547) 18.594 2.125 ( 0.410 7.746 1.032) 7.825 2.241 ( 0.826 -0.308 0.724) 1.141 2.299 ( -2.027 -1.844 -0.350) 2.763 2.350 ( 0.330 1.129 -2.723) 2.966 2.504 ( 0.180 4.566 -1.142) 4.710 2.571 ( 3.382 1.798 1.446) 4.094 2.594 ( -2.812 -2.445 -0.181) 3.731 2.630 ( 1.339 3.511 -3.135) 4.893 2.727 ( -3.039 8.603 3.477) 9.764 2.846 ( 4.852 5.422 2.546) 7.709 2.885 ( 5.300 3.693 4.112) 7.658 2.995 ( -1.833 -3.185 2.940) 4.706 3.033 ( -5.915 6.633 -2.233) 9.163 3.143 ( -4.846 -6.779 -3.841) 9.175 3.166 ( -5.331 -12.724 0.798) 13.819 3.356 ( -3.317 -4.420 -0.462) 5.545 3.511 ( 5.387 -2.046 -4.475) 7.297 3.623 ( -5.211 0.030 -1.886) 5.542 3.653 ( -4.492 -1.078 -2.578) 5.290 3.721 ( -4.541 -1.436 4.201) 6.351 3.834 ( 2.757 -0.414 14.493) 14.758 3.931 ( 9.321 -0.441 8.124) 12.373 4.049 ( -6.407 2.220 -0.190) 6.784 4.101 ( -1.608 -0.276 -5.617) 5.850 4.179 ( 0.566 1.050 -2.446) 2.721 4.224 ( -0.015 -2.453 -2.433) 3.454 4.469 ( 1.722 2.595 0.419) 3.143 4.544 ( 1.466 -5.373 -0.240) 5.575 4.698 ( 0.707 3.784 0.552) 3.889 4.740 ( 1.390 -0.807 0.365) 1.648 4.773 ( 0.961 1.435 0.896) 1.946 4.809 ( 3.438 -0.530 0.264) 3.489 4.833 ( -1.687 1.369 -1.604) 2.700 4.888 ( -0.424 -0.961 1.796) 2.080 5.249 ( -0.448 -0.597 -2.914) 3.008 5.364 ( 0.738 1.787 -3.845) 4.304 5.689 ( -0.398 0.559 -1.570) 1.713 5.958 ( 2.909 0.094 1.750) 3.396 6.955 ( -2.242 -0.178 -3.093) 3.824 7.568 ( 2.893 2.068 -1.058) 3.710 8.827 ( 0.036 0.046 -1.171) 1.172 8.937 ( 0.845 0.085 0.803) 1.168 10.525 ( -0.650 -1.666 0.345) 1.821 10.666 ( -3.080 -1.170 1.197) 3.505 10.755 ( -0.756 2.037 2.807) 3.549 11.138 ( 8.900 0.732 -6.120) 10.826 11.623 ( -2.880 2.448 5.927) 7.030 11.677 ( 2.639 -1.482 1.693) 3.468 13.892 ( 0.204 -0.002 -0.409) 0.457 13.925 ( 0.294 0.242 -0.783) 0.870 ======================= Grid point 70 (32/116) ======================= q-point: (-0.43 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -3.708 16.528 14.131) 22.059 1.211 ( 10.680 27.391 2.460) 29.502 1.533 ( -0.052 -9.746 8.684) 13.054 1.979 ( -7.709 8.406 3.367) 11.892 2.045 ( -10.220 16.891 1.903) 19.833 2.146 ( 2.817 -4.212 -0.815) 5.132 2.223 ( 3.880 0.723 -2.666) 4.762 2.380 ( 2.067 1.041 -5.234) 5.723 2.431 ( -0.185 -3.248 1.011) 3.407 2.520 ( -4.605 1.267 1.678) 5.062 2.579 ( -0.429 -1.916 3.475) 3.992 2.599 ( -0.232 -2.385 -0.571) 2.463 2.706 ( -1.833 3.651 -0.345) 4.100 2.781 ( 4.216 5.835 -1.725) 7.403 2.950 ( 2.372 2.831 -2.879) 4.683 2.996 ( 0.095 -2.311 -3.758) 4.413 3.115 ( 4.264 -3.000 3.306) 6.174 3.207 ( -3.234 -12.981 1.759) 13.493 3.229 ( 6.553 -8.240 -0.260) 10.531 3.378 ( -1.554 -4.105 0.034) 4.389 3.410 ( -4.602 -1.476 -15.162) 15.914 3.455 ( -0.676 -3.271 -13.518) 13.925 3.642 ( -1.212 0.147 4.044) 4.224 3.709 ( -6.977 -5.478 2.736) 9.283 3.909 ( -4.362 2.930 -1.496) 5.463 3.963 ( 4.085 1.230 -0.580) 4.306 4.034 ( -2.258 -1.385 4.324) 5.071 4.117 ( 2.700 -1.379 3.667) 4.757 4.236 ( 0.619 0.096 4.768) 4.809 4.272 ( 2.292 -2.709 2.717) 4.470 4.467 ( 0.052 0.054 -0.927) 0.930 4.526 ( -5.603 -1.283 2.151) 6.138 4.726 ( 2.575 3.137 -4.056) 5.737 4.735 ( 1.977 -1.171 -0.569) 2.367 4.774 ( -0.414 1.880 -1.973) 2.756 4.782 ( 0.848 1.852 -0.472) 2.091 4.856 ( 0.187 1.121 1.270) 1.704 4.913 ( 0.360 -1.750 2.038) 2.710 5.193 ( -1.839 1.499 -2.695) 3.590 5.312 ( 0.949 4.124 -3.066) 5.226 5.680 ( 0.581 1.349 0.897) 1.721 6.006 ( 1.379 0.890 1.295) 2.091 6.922 ( 0.004 0.984 1.286) 1.619 7.562 ( 1.368 4.038 -1.770) 4.616 8.821 ( 0.508 -0.086 -0.999) 1.124 8.949 ( 0.151 0.095 0.051) 0.185 10.551 ( 0.494 -3.146 0.941) 3.320 10.644 ( -2.366 -0.787 1.522) 2.921 10.743 ( -1.136 3.404 2.657) 4.465 11.207 ( 8.423 -0.424 -8.113) 11.703 11.611 ( -4.951 0.649 6.577) 8.258 11.730 ( 2.571 0.850 -0.422) 2.740 13.894 ( 0.296 0.149 0.026) 0.332 13.922 ( 0.529 0.480 -0.378) 0.808 ======================= Grid point 71 (33/116) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 3.146 15.880 24.247) 29.155 1.166 ( 4.000 27.779 7.187) 28.971 1.610 ( -2.951 28.467 12.537) 31.245 1.705 ( 0.398 6.988 10.946) 12.992 1.943 ( -0.193 0.651 4.019) 4.076 2.095 ( -1.752 4.161 -5.110) 6.818 2.284 ( 0.780 9.981 -3.109) 10.483 2.417 ( 7.000 -7.770 -0.196) 10.460 2.459 ( -3.492 -3.059 -1.155) 4.784 2.519 ( 0.801 -8.723 0.610) 8.780 2.576 ( -1.483 1.320 -1.773) 2.662 2.656 ( -1.315 -6.991 -0.363) 7.123 2.704 ( -0.348 -3.342 6.124) 6.985 2.766 ( -1.125 0.234 -3.055) 3.264 2.937 ( 0.596 2.057 -2.307) 3.148 2.965 ( 0.156 1.076 -7.667) 7.744 3.082 ( -6.829 -2.376 -13.923) 15.688 3.192 ( -0.052 -2.751 -4.550) 5.317 3.283 ( -0.248 -5.525 -11.093) 12.395 3.330 ( 6.627 1.670 0.814) 6.883 3.412 ( 1.579 -11.055 -2.499) 11.443 3.508 ( 4.540 -5.122 -0.091) 6.845 3.597 ( -4.584 -0.821 0.865) 4.737 3.746 ( -0.840 -10.061 -1.238) 10.172 3.824 ( 0.667 2.168 -0.825) 2.414 4.004 ( -5.948 -4.167 1.766) 7.474 4.030 ( 2.617 1.018 2.183) 3.557 4.197 ( -1.201 -0.807 3.633) 3.911 4.241 ( -5.990 -0.380 -0.025) 6.002 4.292 ( 1.349 -1.760 1.044) 2.451 4.492 ( 4.276 1.430 2.799) 5.307 4.526 ( -1.217 0.016 3.557) 3.760 4.667 ( -1.262 2.277 -1.972) 3.266 4.713 ( -0.072 1.641 -4.027) 4.349 4.744 ( -1.935 2.482 -0.622) 3.208 4.807 ( 3.547 0.427 -0.390) 3.594 4.831 ( -0.222 2.470 -0.915) 2.644 4.921 ( -4.273 -1.227 0.505) 4.474 5.168 ( 3.679 2.393 -0.589) 4.428 5.293 ( 3.909 3.393 -0.549) 5.205 5.696 ( 0.816 1.759 2.642) 3.277 6.004 ( -1.271 1.812 0.340) 2.239 6.982 ( 3.702 -0.738 5.889) 6.995 7.510 ( 0.084 5.443 -2.704) 6.078 8.824 ( 0.765 -0.312 -0.623) 1.034 8.941 ( -0.535 -0.027 -0.761) 0.931 10.606 ( 0.692 -3.337 2.004) 3.954 10.640 ( -0.811 -0.157 2.048) 2.208 10.724 ( -1.406 1.984 2.789) 3.700 11.204 ( 2.996 2.821 -11.065) 11.806 11.574 ( -6.248 0.134 3.878) 7.355 11.733 ( 0.122 1.329 -0.964) 1.647 13.899 ( 0.300 0.290 0.390) 0.571 13.924 ( 0.479 0.655 0.083) 0.816 ======================= Grid point 72 (34/116) ======================= q-point: (-0.14 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 0.846 20.549 12.781) 24.215 1.308 ( 16.088 19.074 16.351) 29.832 1.729 ( 14.480 15.916 21.899) 30.701 1.768 ( 7.103 8.277 6.018) 12.457 1.935 ( -2.621 8.082 -5.960) 10.379 2.039 ( 0.313 -4.083 3.582) 5.440 2.224 ( 2.997 5.341 -1.768) 6.375 2.401 ( -3.007 -0.159 -7.806) 8.367 2.478 ( -3.832 -1.179 -1.524) 4.289 2.522 ( -7.267 1.432 -3.218) 8.076 2.565 ( 0.809 -1.823 -0.217) 2.006 2.629 ( -0.905 -7.020 0.089) 7.078 2.742 ( -4.296 -5.786 -2.482) 7.622 2.766 ( -0.999 -2.108 -8.432) 8.748 2.826 ( -2.546 -1.248 -3.720) 4.678 2.887 ( -1.357 -0.325 -5.153) 5.338 2.910 ( -2.762 1.664 2.366) 4.000 3.182 ( 4.043 -3.219 -11.007) 12.160 3.240 ( 1.839 -3.946 -2.052) 4.813 3.406 ( 3.779 3.534 1.067) 5.283 3.488 ( -4.047 -4.653 -0.662) 6.202 3.577 ( 4.380 -5.899 0.783) 7.389 3.625 ( 2.288 -1.145 -0.213) 2.567 3.725 ( -4.767 -1.991 0.955) 5.254 3.884 ( 0.356 -5.594 -0.010) 5.605 4.009 ( -3.947 -8.980 -0.804) 9.842 4.026 ( -0.854 -1.662 -1.410) 2.341 4.182 ( -0.972 -1.246 1.915) 2.483 4.217 ( 1.357 0.457 1.616) 2.159 4.336 ( -0.799 0.138 2.566) 2.691 4.498 ( -1.077 2.868 0.335) 3.082 4.581 ( 3.174 0.120 -0.297) 3.191 4.623 ( -0.811 4.172 -1.049) 4.378 4.675 ( 1.855 3.087 -2.070) 4.154 4.707 ( -3.197 -2.241 3.936) 5.544 4.763 ( -1.568 2.293 -0.762) 2.881 4.847 ( -3.654 2.077 0.314) 4.215 4.865 ( 2.878 0.507 -1.077) 3.114 5.196 ( 4.329 4.855 -1.314) 6.636 5.364 ( 5.009 -3.890 -2.755) 6.915 5.727 ( 1.064 1.632 3.378) 3.899 5.951 ( -2.748 1.790 -0.899) 3.400 7.153 ( 5.914 -6.062 5.015) 9.843 7.422 ( -0.909 5.669 -3.851) 6.914 8.837 ( 0.837 -0.467 -0.093) 0.963 8.920 ( -0.931 -0.189 -1.258) 1.576 10.630 ( -1.398 2.614 3.435) 4.537 10.680 ( -0.360 -3.478 3.056) 4.644 10.741 ( 1.193 -2.554 1.744) 3.315 11.022 ( -3.758 11.637 -7.769) 14.488 11.515 ( -3.513 0.563 1.477) 3.852 11.707 ( -1.507 0.571 0.136) 1.617 13.906 ( 0.260 0.104 0.438) 0.520 13.926 ( 0.317 0.830 0.361) 0.959 ======================= Grid point 76 (35/116) ======================= q-point: ( 0.43 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.378 0.000 10.659) 10.665 1.299 ( -2.270 -0.000 9.941) 10.197 1.632 ( 17.751 0.000 3.714) 18.135 1.758 ( 2.674 0.000 1.206) 2.933 2.184 ( -3.258 -0.000 1.584) 3.623 2.225 ( 4.685 0.000 -2.937) 5.530 2.242 ( -0.950 -0.000 -4.633) 4.729 2.370 ( 2.489 0.000 -1.828) 3.088 2.503 ( -9.956 -0.000 -1.006) 10.007 2.520 ( 0.188 0.000 2.366) 2.374 2.542 ( -7.790 -0.000 4.815) 9.158 2.570 ( -2.500 -0.000 -2.795) 3.750 2.827 ( -6.504 -0.000 0.518) 6.524 2.910 ( 0.752 0.000 4.378) 4.443 2.917 ( -0.231 -0.000 -4.748) 4.754 2.978 ( 1.376 0.000 -0.380) 1.428 2.983 ( -3.230 -0.000 -0.499) 3.269 3.060 ( 2.280 0.000 -3.324) 4.031 3.166 ( 13.888 0.000 4.099) 14.480 3.321 ( 2.653 0.000 -1.617) 3.107 3.406 ( -9.041 -0.000 -14.331) 16.945 3.429 ( -0.999 -0.000 -14.094) 14.130 3.642 ( -2.167 -0.000 3.028) 3.723 3.658 ( -7.417 -0.000 5.932) 9.497 3.947 ( -5.880 -0.000 0.708) 5.923 3.971 ( 3.775 0.000 2.767) 4.681 4.023 ( -0.835 -0.000 -3.176) 3.284 4.114 ( 4.217 0.000 1.000) 4.334 4.221 ( -0.796 -0.000 5.438) 5.496 4.256 ( 2.551 0.000 5.631) 6.181 4.472 ( -1.674 -0.000 -0.864) 1.883 4.508 ( -2.224 -0.000 3.255) 3.943 4.722 ( -0.167 -0.000 -2.325) 2.332 4.755 ( 2.217 0.000 -3.149) 3.851 4.788 ( 1.022 0.000 -2.367) 2.579 4.802 ( 0.900 0.000 -0.203) 0.922 4.865 ( 1.279 0.000 1.349) 1.858 4.900 ( -0.071 -0.000 1.180) 1.182 5.207 ( -0.938 -0.000 -2.011) 2.219 5.349 ( 1.275 0.000 -3.181) 3.427 5.693 ( 0.724 0.000 0.908) 1.162 6.014 ( 1.790 0.000 1.249) 2.183 6.931 ( 0.076 0.000 1.414) 1.416 7.598 ( 1.754 0.000 -2.085) 2.725 8.820 ( 0.456 0.000 -1.050) 1.145 8.950 ( 0.146 0.000 0.007) 0.146 10.521 ( 0.007 0.000 1.446) 1.446 10.634 ( -2.270 -0.000 1.622) 2.790 10.780 ( -1.163 -0.000 2.938) 3.160 11.199 ( 8.463 0.000 -8.836) 12.235 11.617 ( -6.411 -0.000 7.115) 9.577 11.738 ( 3.409 0.000 -0.762) 3.493 13.895 ( 0.359 0.000 0.079) 0.367 13.926 ( 0.533 0.000 -0.406) 0.670 ======================= Grid point 78 (36/116) ======================= q-point: (-0.43 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 1.824 14.155 21.801) 26.057 1.565 ( 3.653 -6.895 16.090) 17.882 1.633 ( 0.597 21.065 5.627) 21.812 1.965 ( -1.293 -8.233 1.265) 8.429 2.142 ( -1.271 4.390 -1.759) 4.897 2.173 ( 1.911 21.675 5.463) 22.434 2.223 ( 2.645 -4.209 -4.012) 6.388 2.337 ( -1.696 -2.728 -1.933) 3.749 2.380 ( 1.156 -2.791 -3.512) 4.632 2.511 ( 0.908 -3.170 -2.396) 4.076 2.549 ( 0.397 1.327 2.704) 3.038 2.639 ( 2.154 -3.054 8.882) 9.636 2.682 ( -2.360 3.771 -4.116) 6.061 2.822 ( -2.027 4.225 -5.767) 7.431 2.911 ( -1.460 0.038 -1.525) 2.112 3.017 ( -1.331 -2.217 -2.360) 3.501 3.020 ( -0.808 -5.064 -2.985) 5.933 3.066 ( -4.695 -5.388 -7.388) 10.279 3.165 ( 1.639 -6.346 -5.631) 8.641 3.270 ( 2.345 -3.882 -18.496) 19.043 3.344 ( 1.844 0.419 1.248) 2.265 3.417 ( 6.314 -3.866 1.278) 7.513 3.603 ( -3.067 1.336 2.362) 4.095 3.638 ( -1.044 -3.236 1.583) 3.751 3.875 ( -2.056 3.052 -0.222) 3.686 3.940 ( -7.139 -2.976 0.267) 7.739 4.064 ( 5.542 2.081 -0.405) 5.933 4.160 ( -1.085 -2.671 -0.194) 2.889 4.241 ( -5.093 0.229 -0.154) 5.101 4.273 ( -0.433 -0.488 4.613) 4.659 4.502 ( 3.154 0.307 4.797) 5.749 4.530 ( -1.153 -0.006 5.312) 5.435 4.683 ( -0.232 0.174 -3.402) 3.414 4.724 ( 0.016 0.093 -5.717) 5.718 4.781 ( -1.141 1.326 -1.759) 2.481 4.821 ( 3.698 0.729 0.079) 3.770 4.867 ( -1.055 1.691 0.133) 1.997 4.898 ( -1.618 -1.336 -0.539) 2.166 5.199 ( 2.286 1.054 -0.533) 2.573 5.349 ( 2.826 2.073 -1.765) 3.925 5.720 ( 0.775 0.825 2.695) 2.923 6.026 ( -1.094 0.735 0.448) 1.391 6.980 ( 1.991 0.089 5.023) 5.404 7.581 ( 0.600 2.406 -3.051) 3.932 8.821 ( 0.758 -0.107 -0.789) 1.099 8.941 ( -0.559 0.014 -0.919) 1.076 10.552 ( 0.038 -1.956 2.794) 3.410 10.627 ( -1.022 -0.736 1.611) 2.045 10.773 ( -2.015 2.140 2.608) 3.930 11.227 ( 6.471 0.359 -9.803) 11.752 11.572 ( -7.238 -0.138 5.420) 9.044 11.751 ( 0.122 0.582 -1.492) 1.606 13.903 ( 0.226 0.138 0.495) 0.561 13.933 ( 0.565 0.270 0.086) 0.632 ======================= Grid point 79 (37/116) ======================= q-point: (-0.29 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -5.517 21.597 11.235) 24.961 1.575 ( 7.372 13.850 21.206) 26.380 1.833 ( 3.054 -1.143 13.908) 14.285 1.971 ( 2.325 1.069 -1.632) 3.035 2.023 ( -1.224 6.004 -5.840) 8.464 2.151 ( 5.711 13.681 8.191) 16.937 2.269 ( 2.260 1.776 -0.006) 2.875 2.333 ( -1.883 -4.085 -2.473) 5.133 2.413 ( 0.777 -5.968 -2.687) 6.591 2.528 ( -4.227 -2.237 -4.244) 6.394 2.570 ( 3.021 1.110 -1.042) 3.383 2.610 ( 5.297 6.439 -6.765) 10.737 2.672 ( -5.394 1.570 -2.772) 6.265 2.742 ( -3.086 0.169 -3.502) 4.671 2.801 ( 1.029 -1.414 -4.077) 4.436 2.896 ( 0.023 -0.333 1.278) 1.321 2.959 ( -2.050 0.463 -5.268) 5.672 3.110 ( -0.375 -1.695 -8.471) 8.647 3.193 ( 2.836 -2.288 -1.649) 4.000 3.313 ( 1.939 -15.973 1.527) 16.163 3.427 ( 3.433 -9.283 1.039) 9.952 3.444 ( -2.196 0.166 -0.793) 2.341 3.610 ( -2.380 -0.853 -2.080) 3.274 3.682 ( 3.875 -1.873 1.395) 4.524 3.840 ( -2.666 -0.265 2.188) 3.459 3.901 ( -3.168 -2.754 -1.557) 4.477 4.004 ( -4.051 -1.464 -0.702) 4.364 4.152 ( 0.175 -1.579 -0.398) 1.638 4.229 ( 0.453 0.664 0.821) 1.149 4.323 ( 1.557 -1.141 1.171) 2.258 4.533 ( -2.164 1.088 2.788) 3.693 4.610 ( 4.367 2.814 -1.967) 5.555 4.643 ( -1.803 -1.760 5.093) 5.682 4.689 ( 0.544 0.871 -3.125) 3.290 4.726 ( -0.043 1.880 -2.986) 3.529 4.802 ( -2.359 2.122 -0.854) 3.286 4.854 ( -2.302 -0.569 -1.170) 2.644 4.887 ( 1.722 1.323 0.837) 2.327 5.238 ( 4.028 0.314 -1.249) 4.228 5.359 ( 2.895 2.266 -1.871) 4.125 5.755 ( 0.875 1.418 3.507) 3.883 5.979 ( -3.455 1.308 -0.521) 3.731 7.089 ( 3.527 -1.960 6.228) 7.421 7.515 ( -0.604 4.574 -4.170) 6.219 8.830 ( 0.949 -0.284 -0.343) 1.048 8.917 ( -0.932 -0.132 -1.505) 1.776 10.604 ( -0.806 -3.408 3.660) 5.066 10.650 ( 0.771 -1.750 1.403) 2.371 10.739 ( -2.589 2.214 2.141) 4.024 11.170 ( 0.939 5.653 -8.962) 10.637 11.518 ( -4.577 -0.091 3.297) 5.642 11.716 ( -2.133 0.393 -0.468) 2.218 13.909 ( 0.003 0.158 0.536) 0.558 13.939 ( 0.350 0.582 0.368) 0.772 ======================= Grid point 80 (38/116) ======================= q-point: (-0.14 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 6.454 12.550 11.512) 18.212 1.819 ( -2.462 7.856 -0.462) 8.246 1.836 ( 6.396 9.013 10.086) 14.963 1.915 ( 3.814 3.180 -5.871) 7.690 2.039 ( 2.676 -0.305 3.458) 4.383 2.158 ( -1.986 5.628 -8.701) 10.551 2.217 ( -8.096 -0.967 -8.586) 11.841 2.325 ( -1.668 -0.406 -9.585) 9.737 2.375 ( 9.850 10.468 9.718) 17.351 2.413 ( -3.385 -4.555 0.178) 5.678 2.550 ( -1.858 -6.234 -4.926) 8.160 2.619 ( 0.154 -1.825 1.362) 2.282 2.666 ( 3.859 0.905 1.078) 4.108 2.719 ( 0.084 4.952 -2.243) 5.437 2.773 ( 7.954 5.887 -8.609) 13.116 2.849 ( -0.400 5.190 8.957) 10.359 3.027 ( 1.283 -4.121 5.159) 6.726 3.110 ( 4.326 -4.058 1.377) 6.089 3.250 ( -0.726 -3.309 0.256) 3.398 3.299 ( -8.744 -6.748 -3.102) 11.472 3.426 ( -6.433 -7.497 1.547) 9.999 3.525 ( -4.862 -0.981 0.558) 4.992 3.656 ( 7.805 -6.527 3.158) 10.653 3.718 ( -8.221 -2.528 -1.160) 8.679 3.762 ( 4.310 1.677 -1.153) 4.767 3.963 ( 2.986 -3.790 2.672) 5.516 4.031 ( 3.222 -1.953 -1.221) 3.961 4.164 ( -1.049 -3.723 -0.303) 3.880 4.241 ( 1.272 -1.531 0.316) 2.015 4.327 ( -1.881 0.414 -0.079) 1.928 4.505 ( -0.563 2.601 -1.527) 3.068 4.608 ( -1.064 3.012 -2.424) 4.010 4.620 ( 0.806 2.316 -1.184) 2.723 4.661 ( -2.446 -0.446 1.373) 2.841 4.728 ( 2.172 1.813 -1.643) 3.272 4.763 ( -1.603 0.771 0.629) 1.887 4.830 ( 0.125 -0.626 2.486) 2.567 4.887 ( 0.116 1.388 -1.182) 1.827 5.281 ( 3.899 1.169 -1.953) 4.515 5.363 ( 1.976 -0.016 -2.965) 3.563 5.792 ( 1.208 1.534 3.236) 3.779 5.897 ( -4.011 1.048 -1.596) 4.442 7.230 ( 3.679 -3.905 4.188) 6.806 7.405 ( -1.522 5.343 -5.206) 7.614 8.848 ( 1.051 -0.393 0.212) 1.142 8.888 ( -0.875 -0.308 -1.580) 1.832 10.650 ( -1.500 -3.026 3.280) 4.708 10.670 ( -2.284 2.330 2.229) 3.951 10.745 ( 1.911 -5.730 0.480) 6.059 11.008 ( -2.745 10.104 -4.597) 11.435 11.501 ( -0.354 0.572 1.106) 1.294 11.682 ( -2.647 -0.314 1.535) 3.076 13.910 ( -0.204 0.028 0.158) 0.260 13.940 ( 0.109 0.660 0.206) 0.700 ======================= Grid point 85 (39/116) ======================= q-point: (-0.43 0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -7.614 -0.000 14.580) 16.448 1.683 ( 3.066 0.000 19.104) 19.348 1.848 ( 0.290 0.000 15.475) 15.478 1.880 ( 2.329 0.000 4.923) 5.446 2.054 ( -1.806 -0.000 -9.912) 10.075 2.200 ( -4.739 -0.000 -5.009) 6.895 2.231 ( 0.133 0.000 2.910) 2.913 2.350 ( 2.031 0.000 -3.132) 3.733 2.487 ( 3.269 0.000 -6.264) 7.066 2.496 ( 6.170 0.000 -1.901) 6.456 2.609 ( 1.070 0.000 -8.096) 8.167 2.650 ( 5.004 0.000 -5.962) 7.784 2.759 ( -0.261 -0.000 -4.119) 4.128 2.777 ( 2.422 0.000 9.683) 9.982 2.787 ( 1.236 0.000 -6.622) 6.737 2.818 ( -6.906 -0.000 1.796) 7.135 2.951 ( -0.854 -0.000 -2.145) 2.309 3.097 ( 2.303 0.000 -7.382) 7.733 3.152 ( 6.046 0.000 -2.665) 6.607 3.161 ( 2.069 0.000 1.788) 2.735 3.312 ( -0.000 -0.000 -1.083) 1.083 3.444 ( -6.062 -0.000 -0.195) 6.065 3.601 ( -4.289 -0.000 -1.956) 4.714 3.667 ( 6.578 0.000 1.798) 6.819 3.848 ( -0.853 -0.000 4.249) 4.334 3.884 ( -5.176 -0.000 -3.175) 6.072 3.985 ( -4.864 -0.000 -1.388) 5.058 4.139 ( 1.422 0.000 -0.924) 1.696 4.235 ( 0.463 0.000 -0.184) 0.499 4.312 ( 1.740 0.000 1.424) 2.248 4.542 ( -1.998 -0.000 3.567) 4.089 4.620 ( 0.906 0.000 7.242) 7.299 4.649 ( 1.022 0.000 -6.385) 6.467 4.685 ( 2.536 0.000 -1.808) 3.115 4.744 ( -0.847 -0.000 -3.051) 3.167 4.830 ( -2.642 -0.000 -0.888) 2.787 4.840 ( -2.391 -0.000 -1.551) 2.850 4.899 ( 2.057 0.000 1.334) 2.452 5.238 ( 2.650 0.000 -1.038) 2.846 5.384 ( 2.778 0.000 -2.036) 3.444 5.768 ( 0.814 0.000 3.570) 3.662 5.991 ( -3.763 -0.000 -0.353) 3.780 7.074 ( 2.715 0.000 6.209) 6.776 7.557 ( -0.412 -0.000 -4.299) 4.319 8.828 ( 1.013 0.000 -0.457) 1.112 8.916 ( -0.938 -0.000 -1.642) 1.891 10.572 ( -0.915 -0.000 3.971) 4.075 10.630 ( 0.091 0.000 1.117) 1.121 10.764 ( -2.843 -0.000 1.682) 3.303 11.217 ( 3.098 0.000 -8.710) 9.245 11.516 ( -4.994 -0.000 4.056) 6.433 11.719 ( -2.533 -0.000 -0.749) 2.642 13.910 ( -0.094 -0.000 0.577) 0.585 13.944 ( 0.365 0.000 0.380) 0.527 ======================= Grid point 87 (40/116) ======================= q-point: (-0.29 0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -3.700 12.812 10.700) 17.098 1.880 ( -3.708 -0.508 -5.809) 6.910 1.899 ( -1.137 -2.663 4.593) 5.430 2.011 ( -1.848 6.703 -3.539) 7.802 2.024 ( 5.745 0.578 12.091) 13.399 2.118 ( 0.108 -5.237 6.119) 8.055 2.269 ( -2.630 -4.473 -8.053) 9.580 2.295 ( -7.259 4.650 -5.413) 10.179 2.372 ( -1.486 1.585 -2.116) 3.033 2.439 ( 1.981 -4.406 -2.704) 5.536 2.577 ( 5.259 5.125 -3.515) 8.141 2.627 ( 3.744 6.333 -9.123) 11.720 2.683 ( 3.908 1.455 0.631) 4.218 2.834 ( 3.016 -10.180 -9.665) 14.357 2.857 ( -0.527 4.769 -3.893) 6.179 2.891 ( 6.299 7.907 3.526) 10.706 2.944 ( 4.397 3.819 12.893) 14.148 3.123 ( -0.151 -11.081 -3.677) 11.676 3.156 ( -9.181 4.629 5.331) 11.582 3.258 ( -6.938 2.364 -2.063) 7.614 3.307 ( 4.337 -4.099 3.977) 7.171 3.438 ( 3.845 -10.985 2.437) 11.891 3.532 ( 1.626 -3.500 3.143) 4.977 3.687 ( -7.263 -0.575 -1.836) 7.513 3.793 ( 4.518 1.306 0.941) 4.796 3.931 ( 2.857 -0.651 4.522) 5.388 4.019 ( 3.569 -0.119 -1.462) 3.859 4.115 ( -2.490 -1.518 -1.785) 3.420 4.221 ( 0.463 -0.719 -1.919) 2.101 4.327 ( -0.329 -0.209 -1.832) 1.873 4.550 ( -0.165 2.368 0.925) 2.547 4.603 ( -0.207 -1.808 -1.063) 2.107 4.659 ( 0.065 1.305 -2.677) 2.979 4.692 ( 0.344 2.243 -0.721) 2.381 4.740 ( 1.100 0.090 -1.257) 1.673 4.766 ( -2.936 -0.289 -0.431) 2.982 4.817 ( -0.234 -0.618 2.846) 2.921 4.913 ( -0.651 1.050 -0.477) 1.324 5.260 ( 1.257 -1.285 -1.686) 2.464 5.399 ( 3.025 1.810 -2.245) 4.180 5.814 ( 0.997 0.797 3.422) 3.652 5.910 ( -5.010 0.374 -1.281) 5.185 7.185 ( 3.085 -1.304 5.627) 6.548 7.480 ( -1.549 2.632 -5.806) 6.560 8.844 ( 1.286 -0.099 0.049) 1.291 8.884 ( -0.852 -0.172 -1.868) 2.061 10.598 ( -2.091 -1.744 4.132) 4.948 10.656 ( 1.047 -2.733 0.257) 2.938 10.724 ( -2.729 1.506 0.710) 3.197 11.134 ( -2.172 4.011 -5.611) 7.231 11.508 ( 0.025 0.214 1.744) 1.757 11.674 ( -3.464 -0.425 1.529) 3.811 13.910 ( -0.328 0.034 0.218) 0.395 13.949 ( -0.066 0.290 0.231) 0.377 ======================= Grid point 88 (41/116) ======================= q-point: (-0.14 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -12.330 2.417 -11.672) 17.149 1.651 ( 5.572 3.145 5.825) 8.653 1.833 ( -15.532 4.801 -6.644) 17.562 1.887 ( -6.091 6.331 -12.861) 15.575 2.031 ( 2.404 -3.557 3.812) 5.742 2.142 ( 2.170 -1.898 -6.804) 7.390 2.257 ( 5.618 -0.872 -2.511) 6.215 2.284 ( 5.399 3.328 9.980) 11.825 2.397 ( 3.192 3.683 -3.201) 5.831 2.464 ( 1.352 -2.205 0.122) 2.590 2.574 ( 1.478 3.943 3.815) 5.682 2.608 ( -4.271 4.408 -2.152) 6.504 2.732 ( 3.457 -2.092 2.331) 4.665 2.751 ( 3.776 5.708 -1.822) 7.082 2.807 ( -19.281 -5.717 -3.963) 20.497 2.976 ( 0.749 -6.740 -1.804) 7.017 2.999 ( -2.228 -4.796 3.738) 6.476 3.046 ( 1.920 -7.127 0.219) 7.384 3.187 ( 6.721 4.155 8.414) 11.543 3.310 ( 5.860 0.044 3.943) 7.063 3.425 ( 7.025 5.376 5.843) 10.602 3.534 ( -0.856 1.229 8.042) 8.180 3.641 ( -1.755 -1.561 4.781) 5.327 3.749 ( 4.429 -3.448 2.316) 6.072 3.779 ( -0.455 0.653 -3.486) 3.576 3.996 ( -2.127 -0.365 1.147) 2.444 4.049 ( 4.520 -3.638 -1.873) 6.097 4.086 ( -0.395 -5.070 -3.124) 5.969 4.264 ( 2.484 -1.263 -0.076) 2.788 4.289 ( -1.117 -1.002 -1.213) 1.930 4.487 ( -1.040 4.219 -4.525) 6.274 4.568 ( -0.418 2.481 -4.781) 5.402 4.652 ( -1.474 3.139 0.500) 3.504 4.672 ( 0.332 -1.054 3.547) 3.715 4.723 ( -0.311 -0.552 0.354) 0.726 4.749 ( 0.240 -1.040 -1.427) 1.782 4.846 ( -2.780 0.997 0.424) 2.983 4.890 ( 1.304 -0.458 1.280) 1.883 5.268 ( -0.131 -3.359 -2.330) 4.090 5.407 ( 3.834 3.727 -2.372) 5.850 5.807 ( -4.448 0.395 -2.234) 4.993 5.860 ( 1.053 0.683 2.715) 2.991 7.283 ( 1.131 0.440 0.767) 1.435 7.364 ( -0.749 1.723 -4.610) 4.978 8.854 ( -0.335 -0.115 -1.485) 1.526 8.874 ( 1.322 -0.353 0.403) 1.426 10.615 ( -2.820 -2.961 2.911) 5.019 10.671 ( -2.153 1.474 -0.044) 2.609 10.726 ( 2.696 -6.147 0.036) 6.712 10.993 ( -4.195 6.411 -2.464) 8.048 11.532 ( 1.908 1.233 0.606) 2.351 11.656 ( -3.017 -1.203 3.687) 4.914 13.905 ( -0.295 -0.022 -0.305) 0.425 13.941 ( -0.480 0.320 -0.283) 0.643 ======================= Grid point 94 (42/116) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -14.021 -0.000 -17.728) 22.602 1.700 ( 0.204 0.000 9.675) 9.677 1.888 ( -13.747 -0.000 -3.112) 14.095 1.940 ( -3.818 -0.000 -6.593) 7.619 1.998 ( -0.490 -0.000 1.838) 1.903 2.086 ( 2.268 0.000 -10.716) 10.953 2.257 ( 3.427 0.000 3.714) 5.053 2.310 ( 2.494 0.000 7.833) 8.221 2.447 ( 4.911 0.000 -1.100) 5.033 2.465 ( -3.397 -0.000 1.439) 3.689 2.629 ( -8.691 -0.000 1.689) 8.854 2.651 ( 7.826 0.000 -2.363) 8.175 2.713 ( -5.326 -0.000 -1.342) 5.493 2.743 ( 7.274 0.000 -5.335) 9.020 2.826 ( -7.646 -0.000 -4.803) 9.030 2.841 ( -12.168 -0.000 -2.311) 12.385 2.919 ( 5.964 0.000 3.695) 7.016 3.038 ( -1.273 -0.000 7.193) 7.305 3.236 ( 11.753 0.000 1.748) 11.882 3.293 ( 4.101 0.000 -2.353) 4.728 3.536 ( 6.114 0.000 12.191) 13.639 3.552 ( 3.902 0.000 13.559) 14.110 3.605 ( 3.314 0.000 -0.912) 3.437 3.650 ( 7.066 0.000 5.861) 9.181 3.814 ( -3.688 -0.000 -1.956) 4.175 3.978 ( -2.341 -0.000 2.292) 3.276 4.033 ( -1.907 -0.000 -3.240) 3.760 4.036 ( 3.477 0.000 -4.536) 5.715 4.248 ( 4.170 0.000 0.207) 4.175 4.279 ( -1.537 -0.000 -3.591) 3.906 4.541 ( 0.460 0.000 -5.872) 5.890 4.577 ( 0.101 0.000 -1.574) 1.577 4.663 ( -0.277 -0.000 -0.713) 0.765 4.688 ( -1.728 -0.000 -0.590) 1.826 4.721 ( -1.800 -0.000 2.515) 3.093 4.726 ( 0.051 0.000 -0.084) 0.098 4.871 ( -3.401 -0.000 -1.517) 3.724 4.873 ( 1.629 0.000 3.312) 3.691 5.236 ( -1.070 -0.000 -1.568) 1.899 5.441 ( 4.174 0.000 -2.442) 4.836 5.810 ( -5.319 -0.000 -2.227) 5.767 5.866 ( 1.104 0.000 2.929) 3.130 7.275 ( 2.643 0.000 4.418) 5.148 7.394 ( -1.986 -0.000 -8.035) 8.277 8.854 ( -0.421 -0.000 -1.885) 1.931 8.870 ( 1.623 0.000 0.577) 1.723 10.593 ( -2.972 -0.000 4.459) 5.359 10.635 ( -0.944 -0.000 -1.563) 1.826 10.711 ( 0.043 0.000 -0.025) 0.050 11.051 ( -4.811 -0.000 -3.225) 5.792 11.546 ( 2.824 0.000 0.474) 2.864 11.641 ( -3.894 -0.000 4.094) 5.651 13.904 ( -0.348 -0.000 -0.290) 0.453 13.944 ( -0.627 -0.000 -0.263) 0.680 ======================= Grid point 95 (43/116) ======================= q-point: (-0.14 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -17.814 -1.587 -16.173) 24.113 1.454 ( -28.522 7.826 -2.581) 29.688 1.807 ( 2.429 3.786 -8.118) 9.281 1.832 ( 3.098 -1.138 4.778) 5.807 2.032 ( -9.968 -7.078 -6.270) 13.740 2.089 ( -17.763 -6.854 -4.611) 19.590 2.151 ( 6.043 -2.943 3.352) 7.511 2.296 ( -0.827 -3.555 -4.633) 5.898 2.409 ( 1.609 2.601 3.424) 4.591 2.470 ( -7.162 4.969 1.445) 8.836 2.546 ( 2.436 1.183 -0.489) 2.752 2.631 ( -9.230 -8.568 0.084) 12.594 2.703 ( 7.449 12.308 0.632) 14.401 2.744 ( 4.792 2.497 2.887) 6.126 2.820 ( 5.743 0.129 5.077) 7.666 2.971 ( 7.251 -8.866 0.202) 11.456 3.024 ( 3.178 6.457 4.022) 8.244 3.145 ( 6.087 -5.181 4.468) 9.158 3.347 ( 5.551 1.902 -0.575) 5.896 3.415 ( 7.343 -1.402 0.416) 7.487 3.534 ( -4.560 -1.502 2.224) 5.291 3.684 ( -4.645 4.420 0.518) 6.433 3.714 ( 3.370 2.765 1.184) 4.516 3.763 ( -1.648 0.724 12.534) 12.663 3.840 ( 7.468 3.353 5.884) 10.082 3.917 ( -0.409 -1.876 -5.452) 5.780 4.034 ( 2.060 -1.712 -5.125) 5.783 4.064 ( 3.282 -5.015 1.892) 6.285 4.216 ( -1.927 -0.455 -3.962) 4.429 4.321 ( 2.575 -0.639 1.402) 3.000 4.482 ( 0.280 5.678 -3.089) 6.470 4.552 ( 1.475 0.881 -3.487) 3.887 4.630 ( -2.126 -1.782 -0.211) 2.782 4.665 ( -2.650 -2.665 1.613) 4.090 4.724 ( -1.533 -1.170 -0.512) 1.995 4.753 ( 1.822 0.631 1.135) 2.238 4.814 ( -2.355 1.628 3.474) 4.502 4.915 ( 0.381 -0.850 0.956) 1.334 5.203 ( -2.160 -2.442 -1.779) 3.714 5.470 ( 4.436 2.627 -4.053) 6.558 5.711 ( -3.953 -0.280 -2.568) 4.722 5.909 ( 1.121 0.195 2.445) 2.697 7.246 ( -2.204 4.954 -10.453) 11.776 7.360 ( 1.870 -2.725 2.059) 3.893 8.834 ( 0.116 -0.072 -1.637) 1.642 8.904 ( 1.553 -0.075 0.916) 1.804 10.581 ( -2.545 -0.024 1.795) 3.114 10.631 ( -1.257 -4.182 0.990) 4.478 10.730 ( 2.115 -2.179 -0.419) 3.065 10.933 ( -5.637 2.047 -0.839) 6.056 11.586 ( 1.824 2.249 1.061) 3.084 11.641 ( -2.469 -2.096 4.487) 5.533 13.897 ( -0.049 -0.058 -0.587) 0.592 13.926 ( -0.897 0.046 -0.733) 1.159 ======================= Grid point 102 (44/116) ======================= q-point: (-0.14 -0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -21.470 -0.000 -3.679) 21.783 1.022 ( -31.284 -0.000 1.500) 31.320 1.375 ( -41.102 -0.000 -0.810) 41.110 1.762 ( -3.883 -0.000 -2.113) 4.421 1.922 ( 3.264 0.000 2.047) 3.853 1.996 ( -1.562 -0.000 -2.081) 2.601 2.128 ( -11.376 -0.000 -2.238) 11.594 2.296 ( 9.177 0.000 -2.846) 9.608 2.448 ( 7.024 0.000 0.698) 7.059 2.492 ( 0.916 0.000 1.522) 1.777 2.559 ( 3.363 0.000 3.183) 4.630 2.601 ( 1.289 0.000 1.423) 1.920 2.798 ( 1.781 0.000 -0.069) 1.782 2.934 ( 7.710 0.000 2.620) 8.143 2.969 ( 1.156 0.000 5.694) 5.810 3.044 ( 6.403 0.000 0.112) 6.404 3.129 ( 3.220 0.000 6.303) 7.078 3.216 ( -1.362 -0.000 -1.086) 1.742 3.442 ( 8.035 0.000 -1.906) 8.258 3.465 ( 3.918 0.000 -3.636) 5.345 3.498 ( -0.243 -0.000 3.674) 3.682 3.609 ( -5.294 -0.000 -11.428) 12.595 3.681 ( -1.295 -0.000 4.475) 4.659 3.743 ( -3.729 -0.000 -4.434) 5.794 3.926 ( 2.782 0.000 -10.981) 11.328 3.996 ( 1.529 0.000 12.089) 12.185 4.108 ( 0.102 0.000 -1.045) 1.050 4.115 ( 5.851 0.000 7.575) 9.572 4.183 ( 1.817 0.000 3.250) 3.724 4.355 ( -0.721 -0.000 2.053) 2.176 4.511 ( -0.816 -0.000 -0.611) 1.020 4.544 ( 1.399 0.000 -2.896) 3.216 4.559 ( -0.544 -0.000 -2.024) 2.096 4.628 ( -3.760 -0.000 2.593) 4.568 4.668 ( -0.146 -0.000 -4.128) 4.130 4.789 ( 1.037 0.000 0.723) 1.264 4.894 ( 0.892 0.000 12.033) 12.066 4.896 ( -1.638 -0.000 -1.700) 2.361 5.136 ( -2.321 -0.000 -1.610) 2.824 5.493 ( 4.250 0.000 -9.194) 10.129 5.643 ( -1.752 -0.000 -1.318) 2.192 5.945 ( 0.454 0.000 2.163) 2.210 7.101 ( -2.786 -0.000 -16.398) 16.633 7.388 ( 0.897 0.000 1.073) 1.398 8.825 ( 0.626 0.000 -1.332) 1.472 8.933 ( 1.031 0.000 0.744) 1.271 10.572 ( 0.101 0.000 -1.110) 1.115 10.614 ( -2.141 -0.000 7.317) 7.624 10.743 ( 1.728 0.000 -0.702) 1.865 10.861 ( -4.546 -0.000 3.637) 5.822 11.618 ( -4.382 -0.000 5.230) 6.823 11.650 ( 2.929 0.000 -0.076) 2.930 13.893 ( 0.301 0.000 -0.462) 0.551 13.904 ( -0.770 -0.000 -0.794) 1.106 ======================= Grid point 103 (45/116) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -0.753 -0.000 16.297) 16.314 0.819 ( -2.132 -0.000 18.336) 18.460 1.567 ( 0.211 0.000 -0.914) 0.938 1.774 ( -4.092 -0.000 -5.068) 6.514 1.835 ( 2.445 0.000 38.085) 38.163 2.086 ( 0.789 0.000 -2.814) 2.922 2.102 ( 3.768 0.000 -1.865) 4.204 2.347 ( 8.379 0.000 -7.107) 10.988 2.414 ( -6.005 -0.000 -13.915) 15.155 2.548 ( -2.416 -0.000 -14.424) 14.625 2.625 ( -0.632 -0.000 0.774) 0.999 2.706 ( -9.596 -0.000 -15.013) 17.818 2.737 ( -7.034 -0.000 -5.010) 8.636 2.879 ( -5.430 -0.000 2.126) 5.831 2.903 ( 0.205 0.000 3.343) 3.350 2.990 ( 1.618 0.000 -1.467) 2.184 3.002 ( 3.335 0.000 9.386) 9.961 3.058 ( -0.535 -0.000 -0.202) 0.571 3.247 ( -0.160 -0.000 0.495) 0.520 3.274 ( 6.153 0.000 -0.675) 6.190 3.495 ( -1.291 -0.000 -0.296) 1.324 3.574 ( 3.893 0.000 -0.478) 3.922 3.696 ( 1.659 0.000 0.668) 1.788 3.833 ( 10.944 0.000 0.989) 10.989 3.899 ( -9.845 -0.000 0.576) 9.862 3.981 ( 8.010 0.000 -1.017) 8.074 4.175 ( -0.894 -0.000 -0.779) 1.186 4.199 ( -4.570 -0.000 -2.280) 5.107 4.317 ( -1.684 -0.000 4.992) 5.268 4.394 ( -0.099 -0.000 0.579) 0.587 4.511 ( 0.219 0.000 -4.318) 4.323 4.530 ( -4.790 -0.000 5.177) 7.053 4.559 ( -0.743 -0.000 -1.909) 2.049 4.566 ( 1.473 0.000 -4.459) 4.696 4.743 ( 0.603 0.000 3.533) 3.584 4.803 ( 2.386 0.000 4.245) 4.869 4.814 ( 1.860 0.000 -0.777) 2.015 4.903 ( -8.865 -0.000 -0.618) 8.886 5.061 ( 1.264 0.000 -0.850) 1.523 5.283 ( 7.260 0.000 -7.967) 10.779 5.712 ( 1.635 0.000 2.885) 3.316 5.945 ( -2.441 -0.000 -1.639) 2.940 7.121 ( 10.488 0.000 0.183) 10.490 7.322 ( -1.629 -0.000 -3.409) 3.778 8.827 ( 1.352 0.000 -0.092) 1.355 8.924 ( -0.790 -0.000 -1.261) 1.488 10.693 ( -1.442 -0.000 3.092) 3.411 10.694 ( 0.936 0.000 3.870) 3.981 10.790 ( 1.218 0.000 0.964) 1.553 10.883 ( -5.137 -0.000 -0.480) 5.159 11.579 ( -6.140 -0.000 1.932) 6.437 11.702 ( 0.948 0.000 -0.250) 0.980 13.897 ( 0.779 0.000 0.308) 0.838 13.912 ( 0.346 0.000 0.360) 0.499 ======================= Grid point 104 (46/116) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 10.723 -3.464 13.754) 17.781 1.199 ( 20.306 -14.764 11.359) 27.556 1.659 ( -4.082 -4.068 -6.429) 8.634 1.677 ( 10.886 -1.920 -4.611) 11.977 1.999 ( -4.196 0.337 -6.762) 7.965 2.066 ( 0.373 -4.336 -4.259) 6.089 2.159 ( -9.845 1.453 -9.199) 13.552 2.306 ( 0.026 4.451 -11.594) 12.420 2.321 ( 5.570 -0.928 19.208) 20.021 2.390 ( -0.844 -4.706 -16.228) 16.918 2.398 ( -0.451 -1.579 -5.639) 5.873 2.596 ( -4.308 -1.901 0.561) 4.742 2.693 ( -1.786 0.052 8.287) 8.478 2.799 ( -5.759 2.764 0.950) 6.458 2.933 ( -2.456 3.148 9.032) 9.875 2.972 ( 0.823 8.374 0.758) 8.448 3.051 ( 3.921 0.778 -5.099) 6.479 3.152 ( 0.694 -2.907 7.677) 8.238 3.317 ( 3.778 2.408 7.761) 8.961 3.371 ( 5.616 -2.544 0.014) 6.166 3.499 ( -0.132 -0.493 2.113) 2.174 3.635 ( 3.714 1.220 -0.025) 3.910 3.704 ( -2.043 2.182 1.370) 3.288 3.745 ( -6.379 -1.840 1.524) 6.812 3.963 ( 0.146 3.717 -1.543) 4.027 4.038 ( -0.177 2.964 -0.377) 2.993 4.084 ( -1.254 4.558 -0.764) 4.789 4.169 ( 2.499 -2.328 -2.658) 4.327 4.317 ( -2.175 0.189 2.359) 3.214 4.402 ( 0.760 0.063 0.024) 0.763 4.439 ( -0.763 1.520 -6.387) 6.609 4.520 ( -2.358 -0.884 2.611) 3.628 4.532 ( -0.520 -1.177 -2.760) 3.045 4.589 ( 2.269 -2.770 -0.053) 3.581 4.740 ( -5.811 -0.233 -3.295) 6.684 4.772 ( -1.724 -1.111 2.122) 2.951 4.849 ( 2.056 0.036 0.233) 2.070 4.874 ( 0.403 0.790 3.421) 3.534 5.099 ( 3.159 -2.479 -0.730) 4.081 5.300 ( 6.045 1.296 -7.990) 10.102 5.772 ( 1.627 -0.695 3.061) 3.536 5.886 ( -2.824 -1.201 -2.831) 4.176 7.248 ( 3.942 1.026 -2.083) 4.575 7.265 ( 1.505 -1.844 -3.508) 4.240 8.847 ( 1.215 0.342 0.388) 1.320 8.895 ( -0.933 0.218 -1.635) 1.895 10.689 ( -3.405 -0.112 3.889) 5.170 10.748 ( 0.539 -3.645 1.835) 4.117 10.808 ( -0.338 1.393 2.051) 2.502 10.841 ( -0.527 0.519 0.016) 0.740 11.523 ( -3.908 -1.130 1.972) 4.521 11.712 ( 0.155 -0.116 0.669) 0.696 13.912 ( 0.358 0.104 0.182) 0.415 13.919 ( 0.168 -0.568 0.067) 0.596 ======================= Grid point 105 (47/116) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 13.418 -2.901 9.418) 16.648 1.530 ( -7.923 -7.031 -6.798) 12.586 1.685 ( 0.262 -2.701 -8.896) 9.301 1.749 ( 6.809 -8.311 -5.148) 11.914 1.843 ( 0.594 -8.329 -3.365) 9.003 1.930 ( 1.079 -2.312 -5.251) 5.838 2.119 ( 0.257 -1.253 -3.779) 3.989 2.161 ( 4.253 3.988 -6.994) 9.105 2.322 ( 3.089 -5.893 -5.246) 8.473 2.420 ( 8.988 -5.583 -7.372) 12.896 2.547 ( 0.256 -0.040 7.169) 7.174 2.636 ( -2.231 -4.486 6.219) 7.985 2.674 ( -4.913 4.174 0.141) 6.448 2.771 ( -1.109 3.490 3.844) 5.309 2.857 ( -1.967 9.652 6.412) 11.753 3.056 ( 5.018 3.773 -3.508) 7.192 3.107 ( 6.322 -1.866 18.588) 19.723 3.235 ( 1.877 -1.835 2.266) 3.467 3.368 ( -2.366 3.534 -1.013) 4.372 3.410 ( -2.718 4.033 3.028) 5.729 3.528 ( -0.851 3.190 0.489) 3.337 3.661 ( -0.438 0.944 5.464) 5.562 3.677 ( -1.409 -3.455 1.133) 3.900 3.733 ( -9.750 8.029 -0.322) 12.634 3.778 ( 0.291 -1.436 4.409) 4.646 3.987 ( -2.974 -2.186 -0.893) 3.797 4.116 ( 4.845 5.820 0.292) 7.578 4.170 ( 3.364 5.304 -5.787) 8.540 4.304 ( -1.099 -3.047 -1.741) 3.677 4.335 ( -1.603 0.451 -5.388) 5.639 4.409 ( -3.342 1.988 1.798) 4.284 4.475 ( -2.949 -1.932 -2.791) 4.497 4.556 ( 3.953 -2.705 -1.223) 4.944 4.644 ( 0.834 -2.392 -0.277) 2.549 4.676 ( 0.839 -1.711 -0.784) 2.060 4.785 ( -0.747 0.177 3.374) 3.460 4.865 ( -0.082 0.772 0.104) 0.783 4.900 ( 0.448 0.118 1.718) 1.779 5.171 ( 4.133 -3.713 -2.336) 6.027 5.294 ( 3.848 1.521 -6.273) 7.515 5.809 ( -2.095 -0.993 -1.707) 2.879 5.845 ( 0.279 -1.763 1.612) 2.405 7.183 ( -3.395 -3.260 -5.540) 7.269 7.344 ( 5.784 1.468 -0.336) 5.977 8.859 ( -0.632 0.626 -1.530) 1.770 8.870 ( 1.115 0.395 0.514) 1.289 10.668 ( -4.549 -1.743 2.635) 5.538 10.780 ( -1.938 0.989 1.382) 2.577 10.802 ( -1.026 -2.700 -0.512) 2.933 10.852 ( 3.400 2.572 0.937) 4.365 11.514 ( -1.272 -1.084 2.120) 2.699 11.728 ( -0.347 -0.229 2.713) 2.745 13.907 ( -0.479 -0.030 -0.375) 0.609 13.927 ( 0.129 -0.577 -0.292) 0.660 ======================= Grid point 106 (48/116) ======================= q-point: (-0.57 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -12.034 0.649 -2.680) 12.346 1.512 ( -17.886 -12.985 -3.806) 22.428 1.584 ( 0.600 -2.584 -5.614) 6.209 1.771 ( 10.371 -3.658 6.369) 12.708 1.923 ( 3.195 -5.626 -2.672) 7.000 2.107 ( 5.087 3.887 -2.628) 6.921 2.139 ( 8.258 3.422 -6.591) 11.106 2.269 ( 10.140 -6.881 3.247) 12.677 2.384 ( 4.405 -1.871 -0.491) 4.811 2.500 ( -2.904 -3.041 -1.152) 4.360 2.597 ( 2.042 -5.019 -0.119) 5.420 2.621 ( -0.980 -3.780 3.661) 5.353 2.680 ( -1.841 9.630 3.923) 10.560 2.756 ( 3.292 -3.825 -0.302) 5.056 2.868 ( 0.267 2.191 2.222) 3.132 3.050 ( 1.335 5.876 -1.545) 6.221 3.174 ( -7.734 9.355 -2.264) 12.348 3.206 ( -4.965 10.245 2.297) 11.614 3.335 ( -2.519 1.969 1.337) 3.466 3.391 ( -1.998 -0.036 0.299) 2.021 3.496 ( 10.105 -4.685 12.028) 16.394 3.575 ( -2.887 -0.856 -2.971) 4.230 3.677 ( 0.996 1.003 -5.489) 5.668 3.782 ( -0.721 -0.657 5.620) 5.704 3.856 ( -1.858 -2.639 10.133) 10.634 3.952 ( -1.034 -0.303 -3.156) 3.334 4.068 ( 1.827 4.732 -5.573) 7.535 4.136 ( 0.887 1.804 -2.510) 3.216 4.268 ( -4.297 1.684 1.363) 4.812 4.317 ( 4.048 -2.175 -4.413) 6.371 4.343 ( -3.329 -1.565 1.507) 3.975 4.449 ( 0.116 -0.444 -0.643) 0.790 4.642 ( 3.425 -1.252 0.973) 3.774 4.678 ( 2.459 -1.233 -1.445) 3.107 4.709 ( 1.960 0.091 0.181) 1.971 4.818 ( -0.485 0.085 5.140) 5.163 4.838 ( -1.679 1.170 -0.328) 2.072 4.918 ( 0.060 -0.569 0.476) 0.745 5.226 ( 3.091 -1.836 -4.528) 5.782 5.277 ( 2.786 0.231 -4.997) 5.726 5.744 ( -3.405 -0.891 -2.603) 4.377 5.901 ( 1.215 -1.124 3.014) 3.438 7.094 ( -4.237 -3.634 -6.136) 8.295 7.406 ( 4.164 2.208 0.105) 4.715 8.826 ( -0.346 0.603 -1.921) 2.043 8.897 ( 1.428 0.408 1.121) 1.861 10.628 ( -4.016 -1.695 0.192) 4.363 10.739 ( -1.465 4.117 1.634) 4.665 10.792 ( -0.977 -0.905 -1.370) 1.911 10.907 ( 2.326 -0.370 1.857) 2.999 11.537 ( 0.875 -0.464 1.555) 1.844 11.756 ( -1.311 0.032 4.727) 4.906 13.895 ( -0.416 -0.056 -0.608) 0.739 13.924 ( -0.379 -0.311 -0.787) 0.927 ======================= Grid point 107 (49/116) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -14.096 5.675 11.071) 18.801 1.265 ( -24.327 -9.571 3.278) 26.347 1.644 ( 2.454 -4.878 3.916) 6.720 1.948 ( 4.167 2.754 2.204) 5.459 2.060 ( 4.249 -0.263 0.794) 4.331 2.135 ( 8.398 2.818 -6.838) 11.190 2.210 ( 9.153 -4.741 0.935) 10.350 2.333 ( -6.070 2.518 0.850) 6.626 2.413 ( -10.876 -1.030 1.649) 11.049 2.445 ( -9.904 11.492 1.534) 15.248 2.531 ( 2.736 -0.340 1.663) 3.220 2.611 ( -0.663 2.509 0.241) 2.606 2.659 ( -0.391 -0.076 -2.623) 2.653 2.873 ( 4.104 -5.491 0.938) 6.919 2.884 ( 5.714 -4.343 4.888) 8.684 2.893 ( -5.355 5.093 -2.852) 7.921 3.115 ( 5.628 1.783 0.328) 5.912 3.214 ( 1.745 -1.046 0.223) 2.046 3.314 ( 4.195 1.724 -3.340) 5.632 3.445 ( 1.723 0.105 -1.988) 2.633 3.467 ( -2.187 -6.681 -8.252) 10.841 3.605 ( -0.657 3.575 -3.940) 5.361 3.626 ( -1.810 0.544 -4.852) 5.207 3.804 ( -0.002 -1.148 0.147) 1.158 3.831 ( -1.058 5.505 -7.210) 9.133 4.008 ( 3.375 -3.202 5.514) 7.214 4.096 ( 2.605 -0.975 9.226) 9.636 4.137 ( -0.077 -4.083 -0.757) 4.154 4.206 ( -4.756 0.334 5.097) 6.979 4.361 ( 1.190 -0.448 1.128) 1.699 4.366 ( 1.072 -1.231 2.981) 3.399 4.475 ( 3.944 -0.701 -2.143) 4.543 4.674 ( -0.482 1.945 -1.998) 2.830 4.679 ( 0.548 2.690 0.969) 2.911 4.750 ( 2.926 -0.299 -0.367) 2.964 4.774 ( -2.555 2.453 -0.735) 3.618 4.886 ( -0.855 -1.864 3.107) 3.723 4.926 ( 0.987 -1.134 2.036) 2.531 5.197 ( 0.167 2.451 -4.183) 4.851 5.275 ( 1.931 -2.581 -7.389) 8.061 5.679 ( -2.419 0.351 -1.039) 2.657 5.957 ( 1.073 -0.620 2.888) 3.142 6.994 ( -4.292 -2.310 -5.160) 7.098 7.434 ( 2.247 3.028 -0.185) 3.775 8.803 ( 0.378 0.379 -1.779) 1.858 8.926 ( 1.155 0.199 0.984) 1.530 10.587 ( -1.487 -0.289 -0.848) 1.736 10.709 ( -1.403 2.146 2.487) 3.572 10.765 ( -1.206 0.001 -1.177) 1.685 10.960 ( 2.399 1.618 2.490) 3.817 11.578 ( 2.119 -0.669 1.005) 2.439 11.770 ( -2.902 0.910 5.195) 6.020 13.886 ( 0.044 0.010 -0.452) 0.455 13.908 ( -0.471 0.092 -0.931) 1.048 ======================= Grid point 108 (50/116) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -23.897 -3.509 9.254) 25.865 1.113 ( -12.943 4.486 27.104) 30.369 1.744 ( -11.768 8.818 7.341) 16.436 1.811 ( -19.156 11.548 8.614) 23.969 1.979 ( -0.057 3.242 2.176) 3.905 2.027 ( -0.693 4.561 -3.378) 5.718 2.150 ( -2.166 8.464 -2.885) 9.200 2.250 ( -1.876 1.215 0.149) 2.240 2.471 ( 10.727 -5.213 1.031) 11.971 2.505 ( 5.368 0.697 -1.140) 5.532 2.593 ( 0.782 -2.105 -1.086) 2.495 2.637 ( 3.681 -0.953 4.264) 5.714 2.705 ( 5.948 -7.744 -1.097) 9.826 2.819 ( 2.178 -2.937 0.328) 3.671 2.958 ( -0.086 -7.830 0.029) 7.830 3.034 ( -0.681 -4.844 -3.606) 6.077 3.197 ( 3.663 -2.531 0.471) 4.477 3.207 ( 1.416 0.204 -16.514) 16.576 3.261 ( -2.130 0.907 -2.680) 3.541 3.380 ( -4.094 -0.968 -9.226) 10.139 3.421 ( 6.251 2.306 -1.717) 6.880 3.526 ( 1.510 4.139 -2.589) 5.110 3.619 ( -2.266 -3.165 -0.342) 3.908 3.733 ( -1.786 0.999 -4.750) 5.172 3.769 ( 4.146 3.763 -0.113) 5.600 4.078 ( -0.251 -1.557 -1.043) 1.891 4.195 ( 2.551 -7.728 0.915) 8.189 4.226 ( -2.837 -2.817 7.350) 8.367 4.256 ( 3.054 -0.056 2.812) 4.152 4.382 ( 1.438 1.959 -0.764) 2.547 4.438 ( -1.705 -3.567 8.029) 8.949 4.521 ( 2.896 0.001 -0.967) 3.053 4.591 ( -2.468 4.387 0.115) 5.034 4.660 ( 0.040 4.319 -0.667) 4.370 4.709 ( -1.825 2.469 0.458) 3.104 4.786 ( 1.444 -0.872 -1.682) 2.382 4.837 ( -2.856 1.943 -2.648) 4.353 5.039 ( 3.394 -3.720 3.933) 6.389 5.135 ( 0.341 3.138 -2.346) 3.933 5.210 ( -2.602 -3.049 -9.005) 9.856 5.651 ( -0.311 1.014 0.987) 1.449 5.995 ( 0.106 0.228 2.015) 2.031 6.915 ( -2.101 0.308 -0.765) 2.257 7.421 ( 0.423 3.193 -1.055) 3.390 8.797 ( 1.069 0.024 -1.310) 1.690 8.945 ( 0.397 0.027 0.267) 0.479 10.581 ( 0.937 0.216 0.870) 1.296 10.706 ( -2.103 -0.029 3.180) 3.812 10.738 ( -0.228 -0.121 -0.876) 0.913 11.004 ( 3.662 4.141 1.069) 5.630 11.628 ( 1.866 -1.203 0.654) 2.315 11.748 ( -4.267 2.015 3.967) 6.165 13.886 ( 0.215 0.004 -0.166) 0.272 13.895 ( 0.237 0.490 -0.471) 0.720 ======================= Grid point 109 (51/116) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -18.870 -3.378 15.765) 24.819 1.011 ( -22.271 19.848 14.385) 33.119 1.485 ( -8.812 7.063 37.351) 39.021 1.687 ( -12.431 1.144 1.600) 12.586 1.923 ( -6.389 6.565 -1.986) 9.374 2.038 ( 4.731 0.315 1.689) 5.033 2.045 ( 5.730 1.328 -2.801) 6.515 2.293 ( 6.219 1.302 -3.503) 7.256 2.540 ( 2.164 0.105 0.311) 2.188 2.609 ( 2.508 -4.144 -6.038) 7.741 2.658 ( 2.702 -0.836 -8.829) 9.271 2.748 ( 1.278 -0.612 7.705) 7.834 2.791 ( 5.569 -2.099 5.373) 8.018 2.920 ( -1.745 -6.493 -3.941) 7.793 2.959 ( -0.780 -1.953 -15.383) 15.526 2.983 ( -2.848 -4.380 -2.528) 5.804 3.053 ( -3.990 -5.508 -2.723) 7.326 3.123 ( -2.998 0.136 -14.853) 15.153 3.217 ( -1.848 3.495 1.398) 4.194 3.269 ( 0.537 0.730 -1.092) 1.420 3.499 ( 2.824 -0.331 -0.653) 2.917 3.568 ( -0.960 3.369 -0.882) 3.612 3.614 ( 12.488 0.647 1.154) 12.558 3.691 ( -0.630 -2.744 -3.949) 4.850 3.852 ( 6.917 -1.036 0.851) 7.046 4.040 ( -5.525 -0.144 -0.684) 5.569 4.210 ( -2.432 1.032 -2.686) 3.767 4.273 ( -1.740 -1.894 4.265) 4.980 4.283 ( -1.632 0.602 0.350) 1.775 4.362 ( 1.252 -3.137 -0.730) 3.455 4.512 ( -1.002 -2.546 3.451) 4.404 4.547 ( -1.701 -0.498 4.170) 4.531 4.583 ( 0.160 1.998 1.298) 2.388 4.607 ( -0.322 4.030 -0.977) 4.159 4.712 ( 2.329 0.485 1.914) 3.053 4.731 ( -0.370 2.579 -1.574) 3.044 4.807 ( 0.229 0.060 -0.184) 0.300 5.054 ( -5.629 0.944 -4.205) 7.089 5.071 ( -0.722 0.967 -1.744) 2.121 5.213 ( 5.981 -4.576 -2.641) 7.981 5.667 ( 1.118 0.826 2.284) 2.673 5.989 ( -1.589 0.689 0.128) 1.737 6.953 ( 6.094 0.423 3.812) 7.201 7.378 ( -0.822 2.067 -2.192) 3.123 8.808 ( 1.400 -0.156 -0.669) 1.559 8.943 ( -0.363 -0.039 -0.625) 0.723 10.629 ( 1.810 -0.427 3.536) 3.995 10.693 ( -2.344 0.003 2.526) 3.446 10.757 ( 1.503 -0.867 0.387) 1.778 10.988 ( -0.985 4.283 -2.981) 5.310 11.651 ( -3.769 -1.043 1.999) 4.392 11.696 ( -0.815 2.176 0.542) 2.387 13.887 ( 0.384 0.183 -0.020) 0.426 13.901 ( 0.723 0.282 0.288) 0.828 ======================= Grid point 111 (52/116) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 15.984 0.000 10.021) 18.865 1.456 ( -9.200 -0.000 -5.218) 10.576 1.582 ( 19.997 0.000 1.825) 20.080 1.737 ( -1.956 -0.000 -11.874) 12.034 1.771 ( -8.034 -0.000 -9.332) 12.314 1.906 ( 1.851 0.000 -3.977) 4.387 2.112 ( 6.985 0.000 -5.897) 9.141 2.226 ( 2.328 0.000 -4.088) 4.704 2.230 ( 3.685 0.000 -8.640) 9.393 2.374 ( 6.674 0.000 -7.291) 9.884 2.555 ( -2.206 -0.000 6.881) 7.226 2.583 ( -2.976 -0.000 7.258) 7.845 2.714 ( -5.854 -0.000 -0.473) 5.873 2.791 ( 2.394 0.000 9.245) 9.550 3.013 ( -5.205 -0.000 10.669) 11.872 3.034 ( 1.200 0.000 -1.870) 2.222 3.099 ( 5.700 0.000 11.878) 13.175 3.206 ( 4.066 0.000 -0.240) 4.073 3.399 ( 0.638 0.000 -2.622) 2.699 3.447 ( -2.250 -0.000 2.233) 3.170 3.550 ( 4.328 0.000 0.638) 4.375 3.637 ( -4.484 -0.000 10.341) 11.271 3.681 ( 0.829 0.000 -1.134) 1.405 3.755 ( 1.422 0.000 2.633) 2.992 3.881 ( -7.780 -0.000 -1.503) 7.924 3.910 ( -12.496 -0.000 1.461) 12.581 4.168 ( 4.485 0.000 0.274) 4.493 4.226 ( 4.939 0.000 -3.135) 5.850 4.263 ( -0.453 -0.000 -6.577) 6.592 4.365 ( -1.506 -0.000 -4.410) 4.660 4.413 ( -1.735 -0.000 -1.938) 2.601 4.449 ( -3.285 -0.000 -1.103) 3.465 4.527 ( 0.632 0.000 -0.261) 0.684 4.630 ( 3.083 0.000 1.322) 3.355 4.650 ( -0.080 -0.000 -0.001) 0.080 4.788 ( -0.469 -0.000 3.422) 3.454 4.875 ( 0.645 0.000 0.660) 0.923 4.902 ( -0.079 -0.000 0.782) 0.786 5.135 ( 3.893 0.000 -1.199) 4.073 5.310 ( 4.562 0.000 -7.438) 8.726 5.803 ( -2.785 -0.000 -3.506) 4.478 5.826 ( 1.742 0.000 3.048) 3.511 7.154 ( -3.408 -0.000 -5.258) 6.266 7.358 ( 6.550 0.000 -1.477) 6.714 8.864 ( -0.863 -0.000 -1.773) 1.972 8.874 ( 1.214 0.000 0.851) 1.483 10.652 ( -5.131 -0.000 3.163) 6.028 10.738 ( -0.563 -0.000 1.061) 1.202 10.821 ( -1.968 -0.000 2.694) 3.337 10.881 ( 3.911 0.000 -1.408) 4.156 11.503 ( -0.800 -0.000 2.435) 2.563 11.725 ( -0.374 -0.000 2.585) 2.612 13.907 ( -0.516 -0.000 -0.454) 0.688 13.922 ( 0.359 0.000 -0.248) 0.436 ======================= Grid point 112 (53/116) ======================= q-point: (-0.71 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -10.098 -5.486 -1.625) 11.607 1.429 ( -8.361 0.394 -6.936) 10.870 1.554 ( -5.787 -1.004 -5.330) 7.932 1.720 ( 6.612 -1.915 3.476) 7.711 1.876 ( 3.991 -0.048 0.590) 4.035 2.117 ( 19.438 -5.066 4.730) 20.637 2.177 ( 9.236 3.843 -2.945) 10.428 2.240 ( 8.173 3.292 -3.733) 9.570 2.324 ( 6.998 -4.538 -4.165) 9.322 2.464 ( 4.588 -1.029 -2.522) 5.335 2.524 ( -2.440 -3.149 -0.530) 4.019 2.576 ( -5.488 -1.596 3.802) 6.865 2.697 ( 3.279 -1.056 3.789) 5.121 2.814 ( -3.803 2.776 2.893) 5.526 2.948 ( -1.691 8.571 2.129) 8.992 3.080 ( -0.059 -3.566 0.199) 3.572 3.269 ( 1.320 -1.888 1.309) 2.649 3.288 ( -4.980 3.421 -1.802) 6.305 3.328 ( -6.330 -0.331 -4.940) 8.037 3.447 ( 11.456 -0.467 15.525) 19.300 3.503 ( -10.398 9.212 -1.220) 13.945 3.595 ( -3.104 1.482 -7.370) 8.133 3.701 ( 0.282 2.958 -1.273) 3.233 3.775 ( -0.860 -0.934 8.984) 9.073 3.817 ( -3.011 -1.614 10.137) 10.697 3.873 ( -2.916 -7.751 2.848) 8.757 4.141 ( 1.218 4.138 -10.968) 11.785 4.168 ( -2.264 1.729 -7.032) 7.588 4.244 ( 0.101 -4.321 -0.765) 4.390 4.308 ( -6.370 0.194 0.402) 6.385 4.339 ( 3.589 1.833 -0.559) 4.069 4.446 ( -0.602 -0.143 0.452) 0.766 4.594 ( 7.392 -3.067 -1.932) 8.233 4.680 ( 2.305 0.973 1.666) 3.006 4.701 ( 1.680 -0.708 2.285) 2.923 4.816 ( -0.984 -0.004 4.233) 4.346 4.874 ( -0.650 2.066 0.009) 2.166 4.902 ( -0.301 -1.298 -0.004) 1.332 5.185 ( 3.674 -1.594 -2.808) 4.891 5.299 ( 3.344 1.048 -6.194) 7.117 5.732 ( -2.310 -0.400 -2.948) 3.766 5.886 ( 1.724 -0.500 2.936) 3.441 7.052 ( -3.687 -1.293 -4.948) 6.305 7.434 ( 5.389 0.956 -1.267) 5.618 8.834 ( -0.539 0.253 -1.875) 1.967 8.902 ( 1.269 0.182 1.111) 1.696 10.603 ( -4.482 -0.882 1.620) 4.847 10.746 ( -1.146 -2.172 0.674) 2.546 10.803 ( -2.274 2.435 2.851) 4.385 10.922 ( 4.658 0.668 -2.846) 5.500 11.536 ( 1.738 0.191 2.100) 2.733 11.752 ( -1.259 -0.290 4.717) 4.890 13.894 ( -0.390 -0.041 -0.658) 0.766 13.920 ( -0.005 -0.104 -0.759) 0.766 ======================= Grid point 113 (54/116) ======================= q-point: (-0.57 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -10.061 -1.042 2.681) 10.464 1.269 ( -8.999 7.904 10.041) 15.629 1.549 ( -0.503 -6.435 6.557) 9.200 1.830 ( 5.252 -13.335 0.012) 14.332 2.043 ( 8.275 3.054 3.309) 9.421 2.209 ( 2.466 2.727 0.419) 3.701 2.251 ( 6.088 6.276 -6.916) 11.148 2.349 ( 3.360 -0.049 -1.620) 3.730 2.387 ( -3.210 -0.575 0.520) 3.302 2.493 ( 6.723 1.550 3.643) 7.802 2.581 ( 0.474 -4.212 -1.673) 4.557 2.661 ( 4.516 -4.748 3.498) 7.427 2.725 ( -4.210 9.401 0.492) 10.312 2.771 ( 0.831 -0.985 0.492) 1.380 2.877 ( -1.522 5.539 0.725) 5.790 3.042 ( -6.492 6.344 -2.705) 9.472 3.096 ( -4.728 -0.183 -0.963) 4.828 3.198 ( -4.580 -1.279 -2.889) 5.564 3.300 ( -1.780 -4.819 -0.210) 5.142 3.367 ( 3.999 -0.697 -0.531) 4.094 3.440 ( -3.957 -1.462 -11.397) 12.153 3.638 ( -3.631 1.257 -7.309) 8.258 3.677 ( -0.394 3.243 -1.124) 3.455 3.780 ( 3.721 -1.096 4.296) 5.787 3.913 ( -0.592 0.140 -0.577) 0.839 3.955 ( 2.423 -2.503 8.563) 9.245 4.032 ( -2.693 -3.818 -5.164) 6.963 4.118 ( 2.961 2.541 4.193) 5.727 4.209 ( -6.864 -0.130 2.370) 7.263 4.292 ( -2.231 -4.123 6.480) 7.998 4.391 ( 4.536 0.953 -2.458) 5.246 4.469 ( 4.699 -0.390 -1.691) 5.009 4.699 ( 2.223 0.736 -0.850) 2.491 4.711 ( 3.492 0.309 0.409) 3.529 4.737 ( 0.285 0.364 0.968) 1.073 4.822 ( -2.080 1.903 -0.299) 2.835 4.850 ( -0.913 -1.394 3.591) 3.959 4.910 ( -0.164 -0.862 0.137) 0.888 5.206 ( 1.823 -0.926 -4.544) 4.983 5.273 ( 2.203 1.801 -5.488) 6.182 5.683 ( -1.229 0.165 -1.121) 1.672 5.947 ( 1.761 -0.488 2.792) 3.337 6.968 ( -2.825 -0.831 -3.020) 4.218 7.481 ( 3.720 2.153 -1.409) 4.523 8.809 ( 0.070 0.256 -1.825) 1.844 8.930 ( 1.014 0.180 0.925) 1.384 10.568 ( -2.295 -1.345 0.506) 2.708 10.741 ( -2.686 -1.708 0.849) 3.295 10.773 ( -0.794 4.182 1.905) 4.664 10.972 ( 5.028 -0.582 -2.013) 5.447 11.585 ( 3.053 1.227 1.197) 3.501 11.776 ( -2.720 -0.171 5.484) 6.124 13.886 ( 0.066 -0.046 -0.435) 0.442 13.911 ( 0.006 0.153 -0.917) 0.930 ======================= Grid point 114 (55/116) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -8.745 10.510 7.935) 15.808 1.240 ( -7.461 9.742 25.505) 28.303 1.707 ( 0.154 -4.656 12.569) 13.405 2.010 ( 0.747 1.940 -0.337) 2.106 2.105 ( -2.378 6.163 -0.479) 6.623 2.181 ( -4.716 -5.754 1.680) 7.627 2.231 ( 0.671 5.298 -0.564) 5.370 2.244 ( -6.067 8.104 -0.730) 10.150 2.410 ( 3.046 4.864 1.622) 5.964 2.521 ( 7.774 2.419 -1.468) 8.273 2.573 ( -0.835 0.921 -4.136) 4.319 2.609 ( -2.777 1.259 0.703) 3.129 2.654 ( 2.381 -0.914 5.817) 6.352 2.816 ( -2.972 -4.997 0.079) 5.815 2.852 ( -0.101 2.980 -5.230) 6.020 2.959 ( 2.405 -2.579 -2.977) 4.615 3.131 ( 2.363 -4.912 1.202) 5.582 3.198 ( 2.331 -3.630 -6.272) 7.612 3.224 ( -0.439 -3.193 -12.158) 12.578 3.343 ( -4.014 -3.482 -8.594) 10.104 3.430 ( -1.094 -1.795 -2.648) 3.381 3.468 ( -1.750 -7.882 -3.160) 8.670 3.656 ( 0.826 5.106 2.924) 5.942 3.779 ( -1.629 2.672 -4.626) 5.585 3.851 ( 1.764 5.005 -3.510) 6.363 4.017 ( -3.626 -4.659 2.339) 6.350 4.091 ( 4.763 -3.597 0.336) 5.978 4.158 ( -4.838 -4.423 5.192) 8.363 4.261 ( 4.437 0.413 6.045) 7.510 4.369 ( -2.580 -3.516 7.751) 8.894 4.415 ( 1.938 0.816 -0.363) 2.133 4.526 ( 4.673 0.473 -3.837) 6.065 4.661 ( -2.169 3.926 1.443) 4.712 4.725 ( 0.123 2.051 -0.010) 2.054 4.739 ( 0.162 0.665 -3.825) 3.885 4.784 ( -0.254 1.415 1.217) 1.883 4.863 ( -1.335 0.783 -0.586) 1.655 4.949 ( 1.050 -5.476 2.267) 6.019 5.168 ( -0.543 0.914 -4.574) 4.696 5.221 ( 0.689 3.415 -4.841) 5.964 5.671 ( 0.372 1.211 1.094) 1.674 5.998 ( 1.146 0.167 2.096) 2.395 6.927 ( -0.456 0.965 0.689) 1.270 7.482 ( 1.670 3.491 -1.985) 4.349 8.797 ( 0.761 -0.010 -1.472) 1.657 8.945 ( 0.310 0.066 0.188) 0.368 10.572 ( 0.567 -1.421 0.790) 1.722 10.715 ( -3.212 -0.454 1.986) 3.803 10.749 ( 0.087 3.342 1.120) 3.526 11.039 ( 4.999 -0.574 -2.467) 5.604 11.631 ( 2.964 1.470 0.513) 3.348 11.771 ( -4.020 0.612 4.274) 5.899 13.887 ( 0.366 0.089 -0.006) 0.377 13.903 ( 0.512 0.490 -0.575) 0.912 ======================= Grid point 115 (56/116) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -1.877 18.265 12.704) 22.327 1.315 ( -9.355 14.210 23.470) 28.987 1.727 ( -12.345 12.068 9.170) 19.549 1.769 ( -9.626 16.677 14.150) 23.895 2.021 ( 0.410 -1.098 5.489) 5.613 2.050 ( -1.572 4.617 -2.181) 5.342 2.147 ( -1.434 10.436 -4.666) 11.521 2.318 ( 6.622 0.742 -1.602) 6.853 2.517 ( -0.958 -5.861 -4.642) 7.538 2.545 ( 3.186 -3.009 -3.542) 5.635 2.563 ( 4.790 -6.148 -3.460) 8.527 2.715 ( 5.784 -6.417 1.392) 8.751 2.737 ( -0.932 -1.676 2.300) 2.995 2.813 ( -1.415 -3.227 3.156) 4.731 2.856 ( -0.645 -6.576 -4.944) 8.252 2.913 ( 1.603 -2.180 -8.836) 9.241 3.021 ( -3.904 -0.423 -11.289) 11.952 3.106 ( -3.082 -2.060 -14.150) 14.627 3.229 ( 3.083 -0.089 1.654) 3.500 3.291 ( -1.391 -0.466 0.266) 1.491 3.484 ( 2.252 -1.451 1.960) 3.319 3.520 ( 0.336 -10.917 -0.069) 10.922 3.647 ( -2.150 4.785 0.163) 5.248 3.711 ( 5.299 2.117 -2.062) 6.068 3.816 ( -0.143 -1.508 -1.372) 2.044 4.025 ( -1.202 -0.774 -0.596) 1.548 4.187 ( -4.462 -5.574 5.298) 8.891 4.208 ( 4.221 -5.619 -0.225) 7.031 4.291 ( 1.691 1.736 -5.366) 5.888 4.337 ( -5.952 0.572 1.258) 6.110 4.479 ( -0.820 -0.922 7.598) 7.697 4.545 ( 1.149 0.500 0.937) 1.565 4.638 ( 0.063 3.861 0.199) 3.867 4.664 ( -1.130 1.799 -5.663) 6.049 4.734 ( 3.216 1.722 1.833) 4.082 4.777 ( -1.009 1.784 1.471) 2.523 4.819 ( -1.001 1.891 -0.459) 2.188 5.014 ( -3.745 -7.069 -2.371) 8.344 5.098 ( 0.304 3.056 -1.903) 3.613 5.184 ( 4.249 2.933 -2.049) 5.555 5.691 ( 1.304 1.770 2.479) 3.313 6.009 ( -0.768 1.385 0.389) 1.631 6.967 ( 4.114 1.155 4.046) 5.885 7.436 ( -0.085 4.266 -2.832) 5.121 8.803 ( 1.220 -0.365 -0.853) 1.533 8.942 ( -0.424 -0.097 -0.738) 0.856 10.622 ( 2.275 -0.950 2.320) 3.385 10.694 ( -2.519 0.017 2.684) 3.681 10.748 ( 0.482 0.974 1.550) 1.893 11.055 ( 1.514 1.879 -5.444) 5.955 11.652 ( -0.266 1.262 0.681) 1.459 11.729 ( -3.215 1.352 1.424) 3.767 13.892 ( 0.459 0.423 0.223) 0.663 13.908 ( 0.860 0.525 0.064) 1.010 ======================= Grid point 116 (57/116) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 7.728 17.938 13.337) 23.651 1.081 ( -8.101 24.385 13.972) 29.249 1.625 ( 0.596 6.516 -0.747) 6.585 1.862 ( -5.332 8.937 -5.120) 11.598 1.889 ( 2.150 6.489 34.786) 35.451 2.078 ( 0.379 -0.651 -2.109) 2.239 2.114 ( 4.006 1.564 -1.004) 4.416 2.338 ( 1.129 0.360 -8.383) 8.467 2.442 ( 1.612 1.272 -11.547) 11.729 2.525 ( -3.612 -2.939 -15.141) 15.841 2.604 ( 0.900 -2.267 5.236) 5.776 2.662 ( -4.776 -3.250 -15.322) 16.375 2.743 ( -8.347 -0.942 -3.345) 9.042 2.818 ( -2.986 -7.534 -3.530) 8.839 2.877 ( 0.989 -3.913 3.932) 5.635 2.882 ( -0.214 -6.699 -0.862) 6.757 3.006 ( 4.019 -0.283 4.294) 5.888 3.066 ( -0.480 -0.083 4.698) 4.724 3.242 ( -1.041 -0.776 -0.490) 1.388 3.304 ( 5.547 3.689 1.497) 6.828 3.516 ( -1.690 1.394 -0.604) 2.272 3.571 ( 3.685 -1.104 -0.823) 3.934 3.646 ( 0.571 -5.216 2.218) 5.696 3.823 ( 8.537 -1.091 1.129) 8.680 3.843 ( -3.341 -6.530 -1.000) 7.403 3.986 ( 1.742 1.633 -1.504) 2.822 4.161 ( -5.335 -2.817 -0.558) 6.059 4.220 ( -3.709 1.144 -1.520) 4.169 4.282 ( -2.181 -2.364 5.419) 6.302 4.358 ( 4.161 -3.789 -0.767) 5.680 4.498 ( -2.201 0.026 -0.145) 2.206 4.544 ( -0.947 0.636 -1.346) 1.765 4.586 ( -0.191 2.730 -2.463) 3.682 4.601 ( 0.493 3.291 -1.437) 3.625 4.765 ( -0.309 2.366 2.359) 3.355 4.801 ( 1.918 -0.873 -0.469) 2.159 4.815 ( 0.770 0.530 4.892) 4.981 4.907 ( -7.418 -0.111 -2.442) 7.810 5.090 ( 2.448 3.086 -1.166) 4.108 5.250 ( 6.929 -2.249 -5.320) 9.021 5.727 ( 1.528 1.571 2.977) 3.697 5.962 ( -2.338 1.879 -1.444) 3.329 7.105 ( 8.167 -1.346 2.275) 8.584 7.357 ( -1.308 3.826 -3.748) 5.514 8.822 ( 1.309 -0.518 -0.181) 1.419 8.922 ( -0.827 -0.233 -1.368) 1.616 10.689 ( -1.620 0.656 4.617) 4.937 10.699 ( 2.406 -0.738 2.369) 3.457 10.775 ( 0.616 -1.205 1.522) 2.037 10.941 ( -4.225 5.231 -4.179) 7.917 11.596 ( -5.611 1.813 1.818) 6.171 11.708 ( 0.497 0.524 -0.363) 0.809 13.901 ( 0.645 0.390 0.395) 0.851 13.917 ( 0.474 0.525 0.282) 0.761 ======================= Grid point 119 (58/116) ======================= q-point: ( 0.29 -0.71 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 1.174 0.000 1.923) 2.253 1.386 ( -1.759 -0.000 11.002) 11.142 1.445 ( -5.933 -0.000 6.155) 8.549 1.695 ( -1.806 -0.000 0.726) 1.946 2.080 ( 10.531 0.000 3.510) 11.100 2.233 ( 1.949 0.000 0.655) 2.056 2.304 ( 0.369 0.000 -5.118) 5.131 2.333 ( 2.540 0.000 -1.750) 3.084 2.417 ( 6.299 0.000 -4.605) 7.803 2.517 ( 1.072 0.000 -0.833) 1.358 2.557 ( 1.297 0.000 3.056) 3.320 2.562 ( 15.467 0.000 5.756) 16.504 2.760 ( -3.477 -0.000 -0.150) 3.480 2.796 ( 4.004 0.000 2.552) 4.748 2.986 ( -2.053 -0.000 -0.597) 2.138 3.041 ( -0.763 -0.000 0.928) 1.202 3.108 ( -6.577 -0.000 -7.159) 9.721 3.180 ( -6.605 -0.000 -3.795) 7.618 3.317 ( -17.501 -0.000 0.946) 17.526 3.348 ( 4.804 0.000 -2.312) 5.332 3.414 ( -6.733 -0.000 -10.663) 12.611 3.653 ( -5.402 -0.000 -9.559) 10.980 3.697 ( -2.039 -0.000 2.251) 3.037 3.771 ( 6.240 0.000 8.933) 10.896 3.880 ( 2.655 0.000 3.841) 4.669 3.913 ( 0.667 0.000 4.142) 4.195 4.038 ( -1.473 -0.000 -6.833) 6.990 4.148 ( 3.064 0.000 3.432) 4.601 4.208 ( -7.938 -0.000 1.285) 8.041 4.253 ( -1.324 -0.000 7.116) 7.238 4.397 ( 5.313 0.000 -4.209) 6.778 4.460 ( 2.714 0.000 -0.521) 2.764 4.694 ( 7.471 0.000 -1.988) 7.731 4.718 ( 1.108 0.000 0.492) 1.212 4.745 ( -0.126 -0.000 2.912) 2.915 4.827 ( -2.538 -0.000 3.852) 4.613 4.851 ( -1.578 -0.000 -1.769) 2.371 4.901 ( 0.126 0.000 0.492) 0.508 5.197 ( 2.276 0.000 -3.292) 4.002 5.292 ( 2.797 0.000 -5.862) 6.495 5.685 ( -0.669 -0.000 -1.196) 1.371 5.942 ( 2.033 0.000 2.750) 3.420 6.962 ( -2.144 -0.000 -2.338) 3.172 7.500 ( 4.394 0.000 -2.015) 4.834 8.811 ( -0.051 -0.000 -1.871) 1.871 8.932 ( 0.965 0.000 0.887) 1.311 10.555 ( -2.798 -0.000 1.261) 3.069 10.722 ( -2.416 -0.000 1.747) 2.982 10.820 ( -1.511 -0.000 3.929) 4.210 10.958 ( 5.911 0.000 -6.105) 8.498 11.600 ( 3.775 0.000 1.087) 3.928 11.772 ( -2.882 -0.000 5.852) 6.523 13.885 ( 0.094 0.000 -0.419) 0.430 13.912 ( 0.192 0.000 -0.927) 0.946 ======================= Grid point 121 (59/116) ======================= q-point: (-0.57 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 6.050 12.185 6.704) 15.167 1.427 ( -2.604 11.168 20.092) 23.134 1.605 ( -0.353 -6.004 18.133) 19.104 1.819 ( 7.807 -16.998 3.644) 19.056 2.144 ( -3.053 5.467 0.294) 6.269 2.205 ( -2.114 3.329 -3.243) 5.106 2.269 ( 1.881 1.294 -4.717) 5.240 2.323 ( -1.517 -4.939 1.858) 5.491 2.481 ( 5.074 5.344 -0.941) 7.429 2.539 ( 3.091 -1.085 -4.695) 5.724 2.600 ( -1.852 -3.379 1.573) 4.162 2.638 ( -4.115 -0.508 0.139) 4.149 2.764 ( -0.202 14.421 2.031) 14.565 2.867 ( 2.807 9.025 -0.361) 9.459 2.920 ( -4.632 5.119 -7.197) 9.973 2.957 ( -0.484 1.919 1.409) 2.429 3.039 ( 3.945 -6.417 -0.201) 7.535 3.088 ( -1.936 -4.348 0.850) 4.835 3.179 ( -0.100 -7.435 -9.949) 12.421 3.199 ( -7.034 -8.790 -7.770) 13.679 3.385 ( -8.596 -1.169 -16.275) 18.442 3.398 ( -0.341 -1.675 1.467) 2.253 3.715 ( -1.039 1.381 3.727) 4.108 3.808 ( -3.700 1.773 -2.191) 4.651 3.869 ( 1.033 -3.183 -2.995) 4.491 4.000 ( 0.275 3.426 1.146) 3.623 4.053 ( 4.682 -1.702 1.847) 5.313 4.102 ( -6.401 -2.158 2.064) 7.063 4.279 ( 3.779 1.333 8.267) 9.187 4.327 ( -1.364 -1.313 8.861) 9.061 4.416 ( 2.835 -0.412 -3.549) 4.561 4.518 ( 4.347 -0.992 -1.487) 4.700 4.705 ( -1.637 0.090 -2.996) 3.416 4.726 ( 0.249 1.298 -0.141) 1.329 4.766 ( 0.097 0.706 0.445) 0.840 4.811 ( -1.817 1.192 1.841) 2.848 4.853 ( 1.239 -1.331 0.902) 2.030 4.897 ( 0.105 -0.760 -1.871) 2.022 5.184 ( 0.398 0.681 -2.976) 3.078 5.269 ( 2.269 1.680 -4.962) 5.708 5.687 ( 1.022 0.518 1.147) 1.621 6.000 ( 1.912 0.039 2.160) 2.884 6.941 ( 0.307 0.492 1.300) 1.423 7.527 ( 2.785 1.468 -2.809) 4.219 8.797 ( 0.566 -0.020 -1.647) 1.742 8.947 ( 0.260 0.042 0.083) 0.276 10.548 ( -0.449 -0.928 1.886) 2.149 10.702 ( -3.008 -0.561 2.276) 3.814 10.822 ( -0.843 3.635 3.122) 4.865 11.002 ( 6.263 -2.542 -6.377) 9.293 11.661 ( 3.886 1.383 -0.288) 4.135 11.772 ( -4.514 -0.251 5.161) 6.861 13.889 ( 0.524 0.052 0.121) 0.540 13.910 ( 0.652 0.201 -0.656) 0.947 ======================= Grid point 122 (60/116) ======================= q-point: (-0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 7.983 22.763 9.155) 25.801 1.530 ( -2.498 12.078 24.888) 27.776 1.809 ( -1.794 -0.753 14.166) 14.299 2.016 ( -3.262 3.497 -0.077) 4.783 2.106 ( -2.103 6.940 -0.614) 7.277 2.151 ( 0.360 0.532 5.076) 5.116 2.218 ( -2.148 -1.473 2.596) 3.677 2.249 ( 2.669 -0.015 -6.082) 6.642 2.415 ( -3.691 -0.750 -4.910) 6.189 2.522 ( -0.459 -1.041 -2.501) 2.747 2.564 ( -2.369 3.065 1.604) 4.192 2.658 ( 4.346 0.536 -4.554) 6.318 2.706 ( -4.423 0.140 -1.277) 4.606 2.741 ( -0.468 0.412 1.559) 1.679 2.857 ( 6.497 3.086 -5.514) 9.063 2.907 ( 1.501 0.982 -9.889) 10.050 3.009 ( -5.841 -0.854 -9.410) 11.108 3.061 ( -3.465 -2.874 -11.512) 12.361 3.187 ( 2.086 -8.942 1.006) 9.237 3.254 ( 6.429 -2.742 1.089) 7.073 3.301 ( -1.768 -12.064 1.804) 12.326 3.445 ( 1.110 -3.242 4.125) 5.363 3.652 ( -4.503 -3.756 -5.608) 8.114 3.729 ( -3.204 3.762 3.490) 6.050 3.879 ( -1.633 5.876 -1.426) 6.263 3.992 ( 3.209 -3.758 1.110) 5.065 4.076 ( -4.753 -5.747 2.169) 7.766 4.145 ( 3.648 -1.591 -0.160) 3.983 4.321 ( 0.036 1.514 -2.522) 2.942 4.344 ( -5.524 0.226 2.651) 6.131 4.473 ( 1.481 -0.071 6.208) 6.383 4.562 ( 2.184 1.121 0.695) 2.551 4.655 ( -0.179 -1.617 -6.093) 6.306 4.704 ( -0.764 2.671 0.044) 2.778 4.757 ( 1.189 1.135 0.196) 1.656 4.796 ( -1.859 0.507 2.668) 3.291 4.854 ( -0.501 1.578 -1.710) 2.380 4.909 ( 0.584 -4.007 -2.360) 4.687 5.150 ( 0.634 2.558 -1.501) 3.033 5.248 ( 3.274 3.379 -3.191) 5.685 5.720 ( 1.568 1.432 2.664) 3.407 6.030 ( 0.214 0.976 0.725) 1.235 6.987 ( 2.787 0.965 4.197) 5.129 7.505 ( 1.074 3.263 -3.639) 5.004 8.797 ( 1.059 -0.298 -1.133) 1.580 8.940 ( -0.496 -0.066 -0.929) 1.055 10.593 ( 1.207 -1.900 3.112) 3.841 10.686 ( -2.574 -0.654 2.431) 3.600 10.802 ( -0.540 4.324 2.462) 5.005 11.048 ( 4.399 -2.028 -6.756) 8.314 11.685 ( 0.708 2.127 -0.058) 2.242 11.738 ( -4.112 -0.182 2.151) 4.644 13.899 ( 0.554 0.342 0.503) 0.822 13.917 ( 0.986 0.378 -0.118) 1.062 ======================= Grid point 123 (61/116) ======================= q-point: (-0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 7.970 23.876 8.411) 26.539 1.505 ( -5.210 22.410 14.109) 26.989 1.772 ( 0.580 10.050 -0.613) 10.085 1.995 ( -5.660 5.044 -3.182) 8.222 2.036 ( -2.142 2.808 13.408) 13.865 2.084 ( 2.224 8.955 9.858) 13.503 2.173 ( 2.285 4.407 -4.684) 6.826 2.373 ( -1.513 0.684 -7.178) 7.368 2.415 ( 6.619 -1.865 -3.235) 7.599 2.447 ( -1.814 -7.430 -9.317) 12.054 2.568 ( 0.138 -1.010 2.541) 2.738 2.622 ( -2.622 -7.623 -5.709) 9.878 2.650 ( 0.926 2.202 -13.307) 13.519 2.685 ( -1.781 -10.916 -1.583) 11.173 2.761 ( -6.400 -0.678 -7.113) 9.592 2.893 ( 1.950 0.665 1.522) 2.561 2.996 ( 5.676 -0.056 -4.059) 6.979 3.053 ( -1.223 -1.271 12.610) 12.733 3.217 ( -3.388 -2.475 -0.612) 4.240 3.371 ( 5.883 1.007 2.398) 6.432 3.442 ( 4.285 -9.471 2.746) 10.752 3.530 ( -2.988 -5.307 3.361) 6.956 3.576 ( -0.099 -0.771 -2.259) 2.389 3.730 ( -0.612 -4.688 0.028) 4.727 3.825 ( 2.101 1.876 0.645) 2.890 4.016 ( -0.835 -0.058 -0.464) 0.957 4.075 ( -8.370 -4.536 1.016) 9.574 4.200 ( -0.753 -4.699 -1.280) 4.928 4.257 ( -3.178 -0.150 2.624) 4.124 4.317 ( 3.788 -0.264 -1.207) 3.985 4.517 ( -0.826 1.841 -0.090) 2.020 4.554 ( -0.528 0.576 -2.948) 3.050 4.623 ( 2.161 1.309 -1.988) 3.215 4.663 ( -0.063 3.577 -1.027) 3.722 4.765 ( -2.256 -3.206 -0.210) 3.925 4.808 ( -0.960 2.049 1.735) 2.851 4.827 ( 1.682 0.659 1.540) 2.374 4.893 ( -1.944 -0.845 -2.673) 3.412 5.146 ( 3.336 3.019 -1.133) 4.640 5.253 ( 4.448 2.367 -3.249) 5.995 5.759 ( 1.373 1.987 3.272) 4.067 6.000 ( -2.076 2.178 -0.982) 3.165 7.090 ( 4.888 -0.381 4.458) 6.627 7.435 ( -0.427 4.701 -4.495) 6.518 8.812 ( 1.268 -0.625 -0.431) 1.478 8.917 ( -0.902 -0.306 -1.624) 1.883 10.670 ( 1.506 -2.477 3.842) 4.813 10.687 ( -1.409 -1.144 2.760) 3.303 10.785 ( -1.154 2.614 2.689) 3.924 11.015 ( 0.671 2.917 -7.315) 7.904 11.630 ( -5.652 1.866 1.997) 6.278 11.716 ( 0.178 0.379 -0.717) 0.830 13.909 ( 0.384 0.491 0.569) 0.844 13.927 ( 0.736 0.607 0.194) 0.973 ======================= Grid point 124 (62/116) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 2.391 16.377 10.689) 19.702 1.541 ( 17.805 22.982 8.725) 30.354 1.728 ( 5.811 4.607 -5.857) 9.450 1.787 ( -6.094 9.238 -6.432) 12.800 2.008 ( -2.495 0.989 -5.905) 6.487 2.098 ( 1.003 -0.765 -3.215) 3.454 2.184 ( -8.282 2.380 -12.928) 15.537 2.266 ( -0.169 1.644 -10.493) 10.622 2.353 ( 6.186 2.332 15.594) 16.937 2.426 ( 1.409 1.127 -7.116) 7.342 2.479 ( 0.785 6.751 -11.680) 13.513 2.620 ( -1.790 -0.200 2.289) 2.913 2.669 ( -1.096 -6.079 1.626) 6.388 2.721 ( -3.702 -4.498 8.472) 10.282 2.782 ( 0.269 -9.485 2.356) 9.777 2.916 ( -0.501 0.722 7.526) 7.577 2.993 ( 2.116 -4.319 -5.469) 7.283 3.191 ( 0.000 1.031 7.830) 7.898 3.255 ( 3.755 -4.752 5.213) 7.991 3.420 ( 0.422 2.253 1.275) 2.623 3.512 ( -0.572 0.529 1.763) 1.927 3.592 ( 1.076 -3.878 2.092) 4.536 3.664 ( 5.141 -3.689 3.412) 7.189 3.735 ( -4.511 -3.252 1.082) 5.665 3.887 ( -6.512 -3.438 -0.258) 7.369 3.953 ( 1.035 -6.241 -2.097) 6.665 4.015 ( -0.278 -2.119 0.033) 2.138 4.187 ( -0.839 -0.512 -2.955) 3.115 4.283 ( -0.718 -3.442 4.151) 5.440 4.385 ( 0.462 -2.284 1.733) 2.904 4.438 ( -0.555 1.945 -7.049) 7.333 4.536 ( 2.073 1.162 -2.011) 3.113 4.579 ( -1.785 3.443 -3.151) 4.997 4.648 ( 2.100 3.250 -0.537) 3.907 4.729 ( -3.185 -1.719 -1.544) 3.935 4.798 ( -2.850 1.065 0.079) 3.044 4.850 ( 1.460 0.246 1.511) 2.116 4.868 ( 0.162 0.827 2.062) 2.228 5.162 ( 4.114 4.016 -1.861) 6.043 5.276 ( 4.537 -0.657 -5.214) 6.943 5.794 ( 1.144 1.846 3.171) 3.844 5.919 ( -3.169 2.435 -2.256) 4.589 7.218 ( 5.271 -1.835 1.970) 5.919 7.328 ( -1.402 4.848 -5.181) 7.233 8.837 ( 1.267 -0.739 0.273) 1.492 8.888 ( -0.929 -0.510 -1.849) 2.131 10.700 ( -1.537 0.347 2.817) 3.228 10.755 ( 0.164 -3.145 4.336) 5.359 10.780 ( -0.849 -1.408 1.887) 2.503 10.897 ( -1.123 7.071 -4.820) 8.631 11.551 ( -4.380 1.808 2.037) 5.158 11.715 ( 0.072 0.172 0.651) 0.677 13.913 ( -0.034 0.221 0.236) 0.325 13.931 ( 0.348 0.828 0.081) 0.901 ======================= Grid point 128 (63/116) ======================= q-point: ( 0.43 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 11.519 0.000 11.570) 16.326 1.643 ( -0.833 -0.000 20.492) 20.509 1.836 ( 2.692 0.000 6.282) 6.835 1.857 ( 2.323 0.000 18.540) 18.685 2.121 ( -1.255 -0.000 -5.379) 5.524 2.154 ( 2.890 0.000 -4.120) 5.032 2.247 ( -6.034 -0.000 3.959) 7.217 2.262 ( 2.787 0.000 -8.522) 8.966 2.440 ( -3.846 -0.000 -7.897) 8.784 2.508 ( -4.731 -0.000 -2.108) 5.180 2.589 ( -0.435 -0.000 0.102) 0.447 2.655 ( 4.535 0.000 6.043) 7.555 2.791 ( -8.672 -0.000 -7.951) 11.766 2.793 ( -3.504 -0.000 -6.720) 7.579 2.943 ( 3.375 0.000 -7.032) 7.800 2.960 ( -2.592 -0.000 -5.337) 5.933 2.994 ( 1.611 0.000 4.558) 4.835 3.026 ( 0.985 0.000 -9.355) 9.407 3.039 ( -0.485 -0.000 3.326) 3.361 3.040 ( -5.972 -0.000 -9.249) 11.009 3.280 ( 10.380 0.000 3.276) 10.885 3.406 ( -2.142 -0.000 3.747) 4.316 3.623 ( -4.248 -0.000 -4.479) 6.173 3.773 ( -7.132 -0.000 4.766) 8.578 3.925 ( 9.524 0.000 -1.543) 9.648 3.971 ( -6.668 -0.000 1.685) 6.877 4.009 ( -3.646 -0.000 -1.865) 4.095 4.133 ( 3.170 0.000 0.738) 3.255 4.336 ( -0.943 -0.000 -0.462) 1.050 4.346 ( -5.111 -0.000 2.893) 5.873 4.474 ( 3.164 0.000 5.119) 6.018 4.572 ( 2.671 0.000 1.406) 3.018 4.634 ( -0.425 -0.000 -5.349) 5.366 4.724 ( -1.955 -0.000 -0.087) 1.957 4.779 ( 1.289 0.000 1.241) 1.789 4.789 ( -1.881 -0.000 -1.198) 2.230 4.866 ( 0.443 0.000 -3.823) 3.849 4.881 ( 1.203 0.000 0.057) 1.205 5.173 ( 0.752 0.000 -1.276) 1.481 5.279 ( 3.353 0.000 -3.519) 4.861 5.733 ( 1.713 0.000 2.722) 3.216 6.039 ( 0.641 0.000 0.882) 1.090 6.995 ( 2.379 0.000 4.254) 4.874 7.534 ( 1.641 0.000 -4.016) 4.338 8.794 ( 1.013 0.000 -1.276) 1.629 8.940 ( -0.525 -0.000 -1.036) 1.161 10.574 ( 0.605 0.000 3.658) 3.708 10.680 ( -2.845 -0.000 2.780) 3.977 10.850 ( -2.150 -0.000 3.528) 4.131 11.020 ( 7.139 0.000 -8.384) 11.012 11.710 ( 2.734 0.000 -1.749) 3.245 11.730 ( -6.377 -0.000 3.935) 7.493 13.903 ( 0.595 0.000 0.624) 0.862 13.920 ( 1.037 0.000 -0.189) 1.054 ======================= Grid point 130 (64/116) ======================= q-point: (-0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 7.016 21.568 5.170) 23.262 1.793 ( -2.011 11.509 18.120) 21.560 1.913 ( 0.613 3.112 1.041) 3.339 1.970 ( -2.251 -4.839 9.378) 10.790 2.073 ( -5.797 -0.121 -2.349) 6.256 2.211 ( 0.066 -6.464 -0.078) 6.465 2.222 ( 2.250 1.040 -3.929) 4.645 2.253 ( 7.383 -3.114 -2.210) 8.312 2.339 ( 1.976 1.787 -4.904) 5.581 2.422 ( 1.110 -4.375 -9.446) 10.469 2.537 ( -4.230 0.312 -8.530) 9.526 2.547 ( -7.187 -1.805 -11.269) 13.488 2.689 ( 2.841 7.821 1.721) 8.497 2.754 ( -2.506 4.063 -4.647) 6.662 2.763 ( 1.846 6.104 0.529) 6.399 2.884 ( 0.058 -0.280 -3.568) 3.579 2.989 ( -1.943 -3.022 0.528) 3.631 3.052 ( 4.952 2.576 6.208) 8.348 3.118 ( 0.030 -10.449 2.539) 10.753 3.187 ( 1.820 -11.234 5.778) 12.763 3.374 ( -3.262 -3.768 2.922) 5.777 3.468 ( 6.251 0.253 4.017) 7.435 3.594 ( 2.249 1.206 -1.177) 2.810 3.695 ( -6.003 -0.388 1.925) 6.316 3.877 ( -1.910 3.714 0.087) 4.177 3.948 ( -4.772 -4.827 0.700) 6.824 4.064 ( 2.505 0.418 -0.056) 2.540 4.121 ( -4.277 -3.175 -2.520) 5.893 4.256 ( -3.608 -0.004 1.397) 3.869 4.325 ( 0.574 0.539 -0.082) 0.792 4.543 ( 1.477 0.965 -0.353) 1.799 4.565 ( -0.540 0.471 -5.001) 5.052 4.636 ( 2.587 0.504 0.766) 2.745 4.693 ( -1.527 -1.212 1.074) 2.225 4.725 ( -1.834 0.160 -5.130) 5.450 4.821 ( 1.681 -0.006 -0.520) 1.760 4.842 ( -0.002 0.722 -0.303) 0.783 4.890 ( 0.179 0.146 0.570) 0.615 5.183 ( 2.382 1.197 -0.789) 2.780 5.294 ( 3.647 1.645 -3.430) 5.269 5.785 ( 1.330 0.903 3.492) 3.845 6.027 ( -1.869 0.915 -0.602) 2.166 7.088 ( 3.262 0.045 5.226) 6.160 7.496 ( 0.364 2.076 -5.091) 5.510 8.804 ( 1.286 -0.265 -0.675) 1.476 8.913 ( -0.959 -0.144 -1.869) 2.106 10.632 ( 0.346 -1.406 4.901) 5.111 10.669 ( -2.063 -0.637 2.469) 3.280 10.830 ( -2.944 1.795 2.549) 4.288 11.042 ( 5.607 0.595 -8.056) 9.833 11.653 ( -6.759 0.694 2.667) 7.299 11.720 ( 0.684 0.104 -1.300) 1.473 13.915 ( 0.203 0.219 0.696) 0.757 13.935 ( 0.929 0.262 0.164) 0.979 ======================= Grid point 131 (65/116) ======================= q-point: (-0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -2.742 19.342 6.767) 20.674 1.805 ( -0.435 4.064 -8.294) 9.246 1.903 ( 8.275 15.546 6.300) 18.704 1.946 ( -1.194 8.665 -2.007) 8.974 2.010 ( -1.970 0.990 -2.189) 3.106 2.122 ( 1.676 1.630 -9.271) 9.562 2.192 ( -5.694 1.636 -13.456) 14.702 2.272 ( -1.743 -3.681 -1.475) 4.331 2.377 ( 5.741 -1.127 2.636) 6.417 2.429 ( 3.819 -1.298 -8.443) 9.357 2.507 ( 1.597 -9.394 0.899) 9.571 2.523 ( 0.912 -10.139 1.569) 10.300 2.629 ( -1.925 6.453 -3.417) 7.551 2.686 ( 4.691 10.589 -0.494) 11.592 2.787 ( 0.552 2.922 5.593) 6.335 2.880 ( -0.959 -2.567 4.920) 5.631 2.986 ( 0.408 0.728 2.416) 2.556 3.156 ( 1.259 -6.839 1.921) 7.214 3.199 ( 2.299 0.629 5.269) 5.783 3.422 ( -4.971 -1.785 3.951) 6.597 3.443 ( 4.901 -10.297 7.871) 13.856 3.524 ( -3.980 -3.465 4.290) 6.801 3.594 ( -0.709 -2.075 3.006) 3.721 3.686 ( 2.913 -1.385 0.130) 3.228 3.850 ( -11.024 -1.877 -0.901) 11.219 3.893 ( 4.214 0.412 1.108) 4.377 3.996 ( -0.120 -1.252 -0.593) 1.390 4.152 ( -0.939 -2.948 -0.956) 3.238 4.236 ( -1.925 -1.466 0.827) 2.557 4.351 ( 0.113 -1.463 1.585) 2.160 4.476 ( 0.662 2.296 -7.792) 8.150 4.547 ( 3.067 -0.273 -3.982) 5.034 4.621 ( -1.584 1.017 -5.758) 6.058 4.681 ( 0.850 0.315 0.394) 0.988 4.704 ( 0.406 0.128 -0.602) 0.737 4.803 ( -1.705 -0.049 -1.010) 1.983 4.855 ( 0.254 0.361 3.407) 3.436 4.898 ( 0.229 1.919 0.672) 2.046 5.207 ( 3.211 1.169 -1.538) 3.748 5.294 ( 3.338 2.186 -4.168) 5.770 5.827 ( 0.844 1.675 3.523) 3.991 5.957 ( -3.804 1.742 -1.775) 4.545 7.195 ( 3.644 -0.814 4.277) 5.678 7.408 ( -1.138 3.963 -6.141) 7.397 8.826 ( 1.406 -0.540 0.072) 1.508 8.879 ( -0.939 -0.456 -2.164) 2.403 10.679 ( -0.906 -2.047 1.871) 2.918 10.699 ( -0.606 -2.881 4.971) 5.777 10.783 ( -4.097 1.256 1.775) 4.638 11.010 ( 2.798 5.170 -6.611) 8.847 11.575 ( -4.977 0.916 2.303) 5.560 11.717 ( -0.229 0.030 0.620) 0.662 13.918 ( -0.312 0.250 0.321) 0.513 13.944 ( 0.398 0.600 0.092) 0.726 ======================= Grid point 132 (66/116) ======================= q-point: (-0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 6.443 10.073 5.874) 13.322 1.623 ( -10.546 2.372 -9.342) 14.288 1.728 ( -0.353 4.941 -8.160) 9.546 1.941 ( -7.470 13.205 -7.798) 17.058 1.950 ( 3.475 0.583 -8.275) 8.993 2.046 ( 10.021 7.266 -2.621) 12.652 2.120 ( 3.435 3.041 3.043) 5.505 2.173 ( -2.350 5.434 -3.196) 6.728 2.367 ( -0.403 -0.499 -2.469) 2.551 2.517 ( 5.021 -0.320 -0.222) 5.036 2.548 ( -0.920 -6.132 1.686) 6.425 2.578 ( 4.848 0.870 -0.728) 4.979 2.675 ( 2.282 2.089 -0.051) 3.094 2.747 ( 5.585 -1.473 5.778) 8.170 2.777 ( -4.490 4.872 3.863) 7.669 2.934 ( 5.254 -9.212 -3.801) 11.265 3.150 ( 4.507 -0.104 12.368) 13.164 3.242 ( 1.847 0.050 6.056) 6.331 3.282 ( -9.638 -6.063 0.634) 11.404 3.317 ( -1.768 -5.979 3.408) 7.106 3.433 ( -7.952 -5.943 -0.881) 9.966 3.642 ( -4.449 0.177 6.220) 7.649 3.666 ( 5.453 -2.055 -0.083) 5.828 3.749 ( -0.169 3.352 2.581) 4.234 3.784 ( -0.095 -0.719 7.977) 8.010 4.001 ( 2.757 -4.984 -0.416) 5.711 4.003 ( 3.231 -0.436 -0.093) 3.262 4.095 ( -1.321 -3.273 -7.163) 7.985 4.278 ( -0.204 -3.881 2.157) 4.445 4.350 ( -3.650 -3.210 2.495) 5.463 4.393 ( 0.818 3.329 -7.306) 8.070 4.509 ( -1.988 1.409 -6.190) 6.652 4.598 ( 5.328 1.947 -1.426) 5.849 4.681 ( -0.209 0.819 -0.714) 1.107 4.693 ( 1.096 0.809 -1.680) 2.163 4.785 ( -1.078 0.155 2.983) 3.175 4.869 ( -1.495 1.583 -0.193) 2.186 4.899 ( 0.578 -0.062 2.689) 2.751 5.227 ( 3.408 1.256 -3.163) 4.816 5.284 ( 3.124 1.544 -4.575) 5.751 5.837 ( -2.627 2.067 -0.689) 3.413 5.874 ( -0.907 1.393 1.334) 2.131 7.249 ( -2.127 3.649 -4.472) 6.151 7.321 ( 3.104 -0.600 -0.199) 3.168 8.847 ( -0.392 -0.649 -1.549) 1.725 8.861 ( 1.201 -0.634 0.231) 1.378 10.702 ( -1.892 1.087 1.616) 2.715 10.715 ( -3.691 -3.157 0.991) 4.957 10.768 ( -0.310 -4.567 2.573) 5.252 10.930 ( 0.630 7.260 -2.641) 7.751 11.534 ( -1.803 1.125 1.864) 2.827 11.729 ( -0.585 -0.173 2.982) 3.043 13.909 ( -0.598 0.129 -0.262) 0.666 13.939 ( -0.163 0.671 -0.335) 0.767 ======================= Grid point 137 (67/116) ======================= q-point: (-0.43 0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -2.986 -0.000 -4.489) 5.392 1.857 ( 0.214 0.000 -4.846) 4.851 1.909 ( -9.975 -0.000 1.903) 10.154 2.055 ( 3.442 0.000 10.542) 11.090 2.088 ( -4.964 -0.000 -5.969) 7.763 2.116 ( -2.326 -0.000 -3.846) 4.495 2.213 ( 0.470 0.000 -2.573) 2.616 2.266 ( 5.976 0.000 -3.796) 7.080 2.306 ( 4.228 0.000 -6.861) 8.060 2.364 ( 0.697 0.000 -1.097) 1.300 2.423 ( 12.748 0.000 -4.866) 13.645 2.464 ( 4.377 0.000 -5.523) 7.047 2.720 ( 0.357 0.000 -0.832) 0.905 2.749 ( -12.049 -0.000 -2.148) 12.239 2.873 ( 5.025 0.000 1.820) 5.344 2.925 ( 8.014 0.000 0.265) 8.018 2.983 ( -1.760 -0.000 7.907) 8.100 3.004 ( -3.471 -0.000 -0.358) 3.490 3.246 ( 9.703 0.000 8.124) 12.655 3.293 ( 6.760 0.000 8.421) 10.799 3.397 ( -3.946 -0.000 11.512) 12.170 3.484 ( -15.044 -0.000 2.927) 15.326 3.585 ( -2.376 -0.000 1.873) 3.026 3.677 ( 6.057 0.000 0.253) 6.062 3.838 ( -8.576 -0.000 -1.094) 8.645 3.914 ( 3.270 0.000 2.212) 3.948 3.971 ( -0.448 -0.000 -0.674) 0.809 4.122 ( -0.036 -0.000 -0.687) 0.688 4.227 ( -2.663 -0.000 -0.063) 2.664 4.339 ( -0.489 -0.000 1.284) 1.374 4.508 ( 0.895 0.000 -8.532) 8.579 4.530 ( 2.352 0.000 -5.907) 6.358 4.625 ( -0.329 -0.000 -5.671) 5.680 4.683 ( 1.087 0.000 1.297) 1.692 4.712 ( 1.107 0.000 -0.618) 1.267 4.803 ( -1.516 -0.000 -1.494) 2.129 4.859 ( -0.347 -0.000 3.774) 3.790 4.916 ( 0.708 0.000 0.668) 0.973 5.215 ( 1.987 0.000 -0.976) 2.214 5.317 ( 3.473 0.000 -4.346) 5.563 5.842 ( 0.783 0.000 3.701) 3.783 5.973 ( -4.131 -0.000 -1.603) 4.431 7.189 ( 2.971 0.000 4.952) 5.775 7.444 ( -0.889 -0.000 -6.547) 6.607 8.821 ( 1.505 0.000 -0.031) 1.506 8.875 ( -0.961 -0.000 -2.327) 2.518 10.659 ( -1.498 -0.000 1.726) 2.286 10.672 ( -1.312 -0.000 5.602) 5.753 10.797 ( -4.146 -0.000 1.137) 4.299 11.056 ( 4.377 0.000 -6.971) 8.231 11.583 ( -5.216 -0.000 2.473) 5.773 11.717 ( -0.470 -0.000 0.604) 0.765 13.920 ( -0.419 -0.000 0.359) 0.551 13.949 ( 0.413 0.000 0.100) 0.425 ======================= Grid point 139 (68/116) ======================= q-point: (-0.29 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -11.913 -0.028 -10.638) 15.971 1.725 ( 0.129 9.697 -3.114) 10.185 1.827 ( -3.317 2.527 -2.332) 4.778 1.929 ( 2.317 1.484 -8.007) 8.467 2.062 ( 0.224 -6.101 -1.416) 6.268 2.079 ( -2.968 2.335 -2.985) 4.814 2.264 ( -1.864 13.579 -4.102) 14.307 2.299 ( 6.700 3.938 6.008) 9.823 2.347 ( -3.670 -0.047 -2.618) 4.508 2.396 ( 5.053 -3.678 0.901) 6.314 2.497 ( 6.975 -4.591 -1.150) 8.429 2.638 ( 5.568 -0.042 -1.310) 5.720 2.663 ( 8.770 -3.215 4.923) 10.558 2.729 ( 3.051 0.804 -1.213) 3.381 2.833 ( -6.452 1.321 0.856) 6.641 2.928 ( 2.441 7.365 1.146) 7.843 3.068 ( 3.666 -5.036 -0.378) 6.241 3.160 ( -0.042 -6.007 4.226) 7.345 3.173 ( -16.456 -6.261 -0.106) 17.607 3.297 ( -8.222 -1.010 -0.289) 8.289 3.438 ( 6.640 7.322 9.370) 13.620 3.576 ( 6.846 -7.184 3.776) 10.618 3.687 ( 0.193 2.753 13.876) 14.148 3.740 ( -0.700 -2.387 9.752) 10.064 3.789 ( 2.428 0.164 -0.168) 2.439 3.962 ( 1.271 0.675 -2.515) 2.898 4.002 ( 2.317 -0.751 0.224) 2.446 4.060 ( -4.504 -0.926 -4.072) 6.142 4.214 ( 1.206 -2.445 1.014) 2.909 4.306 ( -4.558 -1.557 -0.110) 4.818 4.438 ( 2.333 1.707 -8.081) 8.583 4.508 ( 1.940 -1.041 -8.274) 8.561 4.616 ( 4.550 0.409 -1.909) 4.952 4.687 ( -0.819 0.266 -0.578) 1.038 4.707 ( 0.396 0.550 -2.036) 2.146 4.787 ( -1.019 0.070 3.301) 3.455 4.898 ( 0.162 -0.008 3.420) 3.424 4.900 ( -1.987 1.257 -0.490) 2.402 5.226 ( 0.786 -0.305 -1.534) 1.751 5.323 ( 4.264 1.630 -5.126) 6.864 5.869 ( -4.298 1.381 -1.259) 4.687 5.888 ( -0.587 0.145 2.409) 2.484 7.277 ( 2.308 0.091 3.132) 3.891 7.338 ( -2.105 1.530 -7.393) 7.837 8.840 ( -0.487 -0.171 -2.148) 2.209 8.851 ( 1.596 -0.404 0.501) 1.721 10.657 ( -1.584 -1.847 0.707) 2.534 10.705 ( -2.330 -2.127 5.266) 6.139 10.735 ( -3.533 0.935 0.139) 3.658 11.025 ( 0.896 3.160 -4.712) 5.744 11.548 ( -1.720 0.498 1.979) 2.669 11.724 ( -1.135 -0.297 3.234) 3.440 13.911 ( -0.753 0.075 -0.196) 0.781 13.948 ( -0.318 0.296 -0.354) 0.560 ======================= Grid point 140 (69/116) ======================= q-point: (-0.14 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -15.836 -1.547 -3.821) 16.363 1.645 ( 3.230 4.630 -5.592) 7.946 1.761 ( -23.106 13.599 -0.833) 26.823 1.827 ( 3.880 1.722 4.675) 6.315 1.969 ( 4.979 -1.612 -1.584) 5.468 2.096 ( 3.158 0.357 -6.817) 7.521 2.121 ( 6.662 4.084 -1.132) 7.895 2.338 ( 2.901 1.564 -1.367) 3.568 2.418 ( 5.785 2.525 2.720) 6.873 2.518 ( -0.224 -4.499 1.954) 4.910 2.567 ( -2.755 1.965 -0.156) 3.388 2.666 ( 2.314 1.147 -2.548) 3.628 2.720 ( -7.919 2.658 5.006) 9.738 2.770 ( -6.566 -0.204 1.332) 6.703 2.841 ( 5.519 2.121 2.044) 6.256 2.908 ( 6.887 -11.460 -1.770) 13.487 3.010 ( -10.547 -8.053 -1.424) 13.347 3.103 ( 5.435 -0.151 3.826) 6.649 3.291 ( 2.003 -2.974 -0.087) 3.586 3.346 ( 5.790 -5.249 1.589) 7.975 3.560 ( 3.535 1.561 0.531) 3.901 3.634 ( 2.531 2.515 3.053) 4.696 3.685 ( -3.147 4.998 -4.291) 7.300 3.817 ( -1.983 3.556 3.163) 5.156 3.892 ( -0.749 0.973 5.714) 5.845 3.943 ( -1.059 -0.308 3.181) 3.367 3.982 ( 3.074 -4.893 -3.375) 6.692 4.085 ( 3.236 -3.672 2.699) 5.589 4.234 ( -3.557 -1.711 0.608) 3.994 4.317 ( 1.387 -3.904 2.190) 4.686 4.382 ( 1.667 4.257 -4.908) 6.707 4.465 ( 1.984 0.924 -4.058) 4.611 4.661 ( -0.808 0.519 0.302) 1.007 4.682 ( 1.298 -2.571 -1.495) 3.245 4.694 ( 3.711 0.903 -1.774) 4.211 4.809 ( -3.053 -0.042 3.632) 4.745 4.855 ( -0.423 1.735 2.165) 2.806 4.922 ( -0.041 -0.067 0.830) 0.834 5.216 ( -0.103 -1.383 -2.789) 3.115 5.316 ( 4.407 2.918 -6.402) 8.303 5.757 ( -4.857 0.615 -2.385) 5.445 5.920 ( 0.669 0.935 3.189) 3.390 7.165 ( -4.207 4.134 -7.994) 9.935 7.367 ( 2.581 -2.171 1.537) 3.707 8.816 ( -0.094 -0.494 -2.080) 2.140 8.890 ( 1.668 -0.340 1.129) 2.043 10.633 ( -3.433 -1.652 -0.903) 3.915 10.699 ( -1.155 0.108 1.398) 1.817 10.749 ( -0.719 -4.044 2.751) 4.944 10.956 ( -1.335 3.595 -0.820) 3.921 11.553 ( 0.853 1.219 1.299) 1.975 11.748 ( -1.835 -0.768 4.952) 5.337 13.895 ( -0.529 0.020 -0.550) 0.764 13.929 ( -0.754 0.317 -0.837) 1.170 ======================= Grid point 146 (70/116) ======================= q-point: (-0.29 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -16.827 -0.000 -3.911) 17.276 1.709 ( 2.216 0.000 -6.480) 6.849 1.806 ( 1.909 0.000 -0.725) 2.042 1.897 ( -20.640 -0.000 0.494) 20.646 1.974 ( 1.480 0.000 2.252) 2.694 2.072 ( 2.797 0.000 1.273) 3.073 2.188 ( 1.325 0.000 -4.092) 4.301 2.357 ( 5.163 0.000 -2.442) 5.712 2.418 ( -10.735 -0.000 -0.816) 10.765 2.496 ( 5.321 0.000 2.346) 5.816 2.596 ( 11.118 0.000 -0.663) 11.138 2.662 ( -1.574 -0.000 -2.598) 3.037 2.732 ( -4.714 -0.000 0.216) 4.719 2.777 ( -7.639 -0.000 0.589) 7.662 2.783 ( 8.301 0.000 4.983) 9.682 2.832 ( -12.599 -0.000 0.570) 12.611 3.014 ( 9.595 0.000 6.375) 11.520 3.079 ( -0.219 -0.000 -1.595) 1.610 3.254 ( 6.789 0.000 -2.331) 7.178 3.288 ( 7.571 0.000 2.770) 8.062 3.562 ( -0.554 -0.000 -2.567) 2.627 3.658 ( 3.790 0.000 -1.690) 4.150 3.761 ( -3.150 -0.000 -2.729) 4.168 3.873 ( -2.104 -0.000 -1.625) 2.659 3.887 ( 0.699 0.000 5.574) 5.617 3.921 ( 4.244 0.000 3.024) 5.211 3.943 ( -0.700 -0.000 13.072) 13.091 4.047 ( 0.494 0.000 0.897) 1.024 4.224 ( -3.500 -0.000 -0.132) 3.502 4.264 ( 4.320 0.000 1.202) 4.484 4.430 ( 3.482 0.000 -3.848) 5.190 4.469 ( 3.342 0.000 -7.107) 7.854 4.645 ( -1.040 -0.000 -1.056) 1.482 4.663 ( -0.803 -0.000 -1.325) 1.549 4.710 ( 3.647 0.000 -1.376) 3.898 4.811 ( -3.787 -0.000 4.248) 5.691 4.872 ( -0.365 -0.000 2.158) 2.189 4.920 ( -0.291 -0.000 0.963) 1.006 5.203 ( -1.280 -0.000 -1.756) 2.173 5.343 ( 4.793 0.000 -7.025) 8.504 5.763 ( -5.521 -0.000 -2.338) 5.996 5.928 ( 0.439 0.000 3.269) 3.298 7.208 ( -3.825 -0.000 -9.390) 10.139 7.344 ( 1.876 0.000 2.484) 3.112 8.811 ( 0.022 0.000 -2.192) 2.192 8.887 ( 1.791 0.000 1.138) 2.122 10.612 ( -2.716 -0.000 -0.612) 2.784 10.704 ( -3.169 -0.000 5.816) 6.623 10.709 ( -0.357 -0.000 -0.189) 0.404 10.990 ( -2.110 -0.000 -2.461) 3.242 11.566 ( 1.270 0.000 1.238) 1.774 11.739 ( -2.319 -0.000 5.206) 5.699 13.895 ( -0.608 -0.000 -0.528) 0.805 13.932 ( -0.889 -0.000 -0.863) 1.239 ======================= Grid point 147 (71/116) ======================= q-point: (-0.14 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -17.089 -1.970 11.825) 20.875 1.464 ( -28.572 10.959 3.489) 30.799 1.717 ( 3.956 3.597 1.169) 5.473 1.871 ( 2.441 -5.215 -0.185) 5.762 2.000 ( -6.666 -4.491 1.692) 8.214 2.089 ( -6.826 -3.535 1.703) 7.874 2.117 ( -11.301 -7.863 -1.813) 13.887 2.300 ( 6.495 -0.637 3.621) 7.464 2.410 ( 0.979 4.283 -1.864) 4.772 2.466 ( -9.468 1.595 -0.281) 9.606 2.572 ( 2.631 1.338 1.868) 3.493 2.615 ( -3.165 -2.508 -0.974) 4.154 2.695 ( 6.240 9.072 -2.797) 11.360 2.784 ( 2.088 -0.647 0.737) 2.307 2.931 ( 8.349 -0.145 4.222) 9.357 2.973 ( 7.705 -8.342 0.060) 11.356 3.075 ( 8.399 7.443 2.239) 11.443 3.220 ( 3.377 -1.220 2.501) 4.376 3.312 ( 3.709 1.341 -5.281) 6.592 3.391 ( 3.833 -5.126 -2.647) 6.927 3.519 ( -2.992 0.770 -8.543) 9.084 3.549 ( -3.271 -2.323 -6.416) 7.567 3.690 ( -0.250 5.554 0.898) 5.632 3.769 ( -2.842 -0.974 -9.323) 9.795 3.801 ( -1.996 -2.286 -6.047) 6.766 4.056 ( 3.459 1.871 1.080) 4.078 4.133 ( 3.328 2.205 14.150) 14.702 4.138 ( 3.136 -1.616 7.354) 8.157 4.204 ( -2.148 -0.044 5.504) 5.909 4.364 ( 2.617 -1.791 5.118) 6.020 4.411 ( 1.841 6.012 -4.910) 7.978 4.482 ( 3.741 -0.736 -2.874) 4.775 4.611 ( -2.395 -4.770 -2.188) 5.769 4.646 ( -0.202 -1.237 -1.331) 1.828 4.741 ( -3.476 0.975 1.787) 4.028 4.767 ( 0.782 -0.476 -0.045) 0.916 4.899 ( -1.852 0.023 -1.791) 2.576 4.948 ( 3.039 1.005 6.269) 7.039 5.158 ( -1.978 -1.417 -2.542) 3.519 5.320 ( 3.316 1.801 -9.663) 10.373 5.673 ( -3.287 -0.221 -1.032) 3.452 5.965 ( 0.437 0.266 2.946) 2.990 7.037 ( -4.941 1.940 -8.038) 9.632 7.390 ( 1.074 -1.659 0.777) 2.124 8.798 ( 0.655 -0.180 -1.802) 1.926 8.924 ( 1.302 -0.082 1.011) 1.650 10.577 ( -1.309 -0.726 -0.274) 1.522 10.704 ( -0.795 0.931 2.077) 2.411 10.734 ( -0.619 -2.683 2.048) 3.432 10.941 ( -1.839 -0.379 1.503) 2.405 11.601 ( 2.350 1.278 0.637) 2.750 11.750 ( -3.720 -1.042 5.467) 6.694 13.885 ( 0.004 -0.048 -0.437) 0.439 13.908 ( -0.853 0.014 -0.993) 1.310 ======================= Grid point 154 (72/116) ======================= q-point: (-0.14 -0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -14.926 -0.000 24.491) 28.681 1.125 ( -28.522 -0.000 8.084) 29.645 1.501 ( -33.474 -0.000 14.135) 36.336 1.820 ( -1.539 -0.000 6.031) 6.225 1.942 ( 2.144 0.000 2.338) 3.172 2.007 ( -4.070 -0.000 0.171) 4.074 2.039 ( -4.939 -0.000 -6.399) 8.083 2.249 ( -1.007 -0.000 -0.586) 1.165 2.487 ( 3.858 0.000 -1.359) 4.090 2.506 ( 9.497 0.000 2.812) 9.904 2.622 ( 6.173 0.000 2.078) 6.514 2.644 ( 1.966 0.000 4.120) 4.565 2.751 ( 3.618 0.000 -4.880) 6.075 2.953 ( 5.680 0.000 -0.619) 5.713 3.009 ( 2.712 0.000 -0.840) 2.839 3.085 ( 5.122 0.000 0.992) 5.217 3.186 ( -4.354 -0.000 -1.401) 4.573 3.223 ( 2.802 0.000 -10.764) 11.123 3.236 ( -0.867 -0.000 -6.841) 6.896 3.353 ( 0.076 0.000 -8.398) 8.398 3.421 ( 5.443 0.000 -0.495) 5.465 3.475 ( -0.064 -0.000 -6.034) 6.034 3.645 ( -6.662 -0.000 -2.853) 7.247 3.720 ( 7.384 0.000 -3.097) 8.008 3.758 ( 0.594 0.000 -0.089) 0.601 4.075 ( 0.962 0.000 -1.389) 1.690 4.247 ( 1.389 0.000 2.246) 2.641 4.248 ( -0.296 -0.000 5.584) 5.592 4.293 ( -1.660 -0.000 9.053) 9.204 4.391 ( 0.724 0.000 -8.387) 8.418 4.471 ( 1.271 0.000 9.372) 9.458 4.510 ( 2.512 0.000 0.241) 2.524 4.525 ( -0.940 -0.000 -0.317) 0.992 4.618 ( -1.585 -0.000 -0.859) 1.803 4.691 ( -3.497 -0.000 2.845) 4.508 4.794 ( 1.632 0.000 -1.781) 2.415 4.815 ( -3.401 -0.000 -4.492) 5.634 5.073 ( 4.395 0.000 3.112) 5.385 5.097 ( -1.584 -0.000 -1.967) 2.525 5.254 ( 0.235 0.000 -9.930) 9.933 5.641 ( -0.583 -0.000 0.929) 1.097 5.992 ( -0.373 -0.000 1.976) 2.011 6.914 ( -3.237 -0.000 -2.062) 3.838 7.391 ( -0.099 -0.000 -0.608) 0.616 8.797 ( 1.224 0.000 -1.260) 1.756 8.944 ( 0.440 0.000 0.286) 0.525 10.579 ( 0.905 0.000 1.823) 2.035 10.712 ( -3.023 -0.000 2.825) 4.137 10.734 ( 1.623 0.000 -0.122) 1.627 10.954 ( 1.257 0.000 2.747) 3.021 11.650 ( 2.561 0.000 -0.032) 2.561 11.720 ( -5.752 -0.000 4.583) 7.355 13.887 ( 0.561 0.000 -0.025) 0.562 13.889 ( -0.337 -0.000 -0.628) 0.713 ======================= Grid point 155 (73/116) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -0.793 -0.000 11.210) 11.238 1.149 ( -1.035 -0.000 13.465) 13.504 1.503 ( -0.211 -0.000 -4.859) 4.863 1.651 ( -4.468 -0.000 -7.302) 8.560 2.013 ( -2.835 -0.000 -4.531) 5.345 2.018 ( -3.934 -0.000 -4.800) 6.206 2.102 ( 7.491 0.000 -12.338) 14.434 2.103 ( 3.868 0.000 -10.390) 11.087 2.302 ( 9.328 0.000 -7.616) 12.043 2.331 ( -15.222 -0.000 -12.663) 19.800 2.494 ( 1.771 0.000 17.805) 17.893 2.669 ( -6.418 -0.000 -1.797) 6.665 2.765 ( 2.568 0.000 6.571) 7.055 2.935 ( -7.837 -0.000 1.718) 8.023 2.960 ( 4.518 0.000 1.693) 4.825 2.972 ( 0.691 0.000 -1.255) 1.432 3.134 ( -0.419 -0.000 15.702) 15.708 3.182 ( -1.402 -0.000 1.489) 2.045 3.230 ( 3.615 0.000 -2.133) 4.197 3.418 ( 2.131 0.000 9.881) 10.108 3.524 ( -1.414 -0.000 1.602) 2.137 3.577 ( 3.067 0.000 1.742) 3.527 3.707 ( 2.963 0.000 0.975) 3.119 3.866 ( 1.349 0.000 1.240) 1.833 3.926 ( -1.595 -0.000 4.065) 4.367 3.956 ( 7.117 0.000 -1.401) 7.253 4.119 ( -5.181 -0.000 -6.735) 8.497 4.178 ( -2.136 -0.000 1.026) 2.370 4.308 ( 0.442 0.000 -8.208) 8.220 4.355 ( 1.617 0.000 -4.453) 4.737 4.418 ( -0.856 -0.000 2.620) 2.756 4.515 ( -0.254 -0.000 -2.162) 2.177 4.538 ( 1.989 0.000 0.444) 2.038 4.636 ( -2.797 -0.000 4.259) 5.096 4.782 ( -5.959 -0.000 -6.150) 8.563 4.785 ( 0.930 0.000 -1.413) 1.691 4.832 ( 1.044 0.000 3.498) 3.650 4.913 ( -1.343 -0.000 0.598) 1.470 5.058 ( 0.828 0.000 0.533) 0.985 5.130 ( 5.271 0.000 -5.547) 7.652 5.767 ( 2.218 0.000 2.635) 3.444 5.892 ( -2.700 -0.000 -3.309) 4.271 7.139 ( 6.757 0.000 1.546) 6.932 7.249 ( -2.922 -0.000 -3.585) 4.625 8.834 ( 1.382 0.000 0.786) 1.590 8.893 ( -0.973 -0.000 -1.728) 1.983 10.743 ( -0.075 -0.000 1.634) 1.635 10.748 ( -0.262 -0.000 1.332) 1.357 10.826 ( 2.126 0.000 2.378) 3.190 10.877 ( -3.067 -0.000 -0.243) 3.076 11.621 ( -5.919 -0.000 2.122) 6.288 11.690 ( 2.243 0.000 -1.008) 2.459 13.905 ( 0.718 0.000 0.431) 0.837 13.916 ( 0.080 0.000 0.027) 0.085 ======================= Grid point 156 (74/116) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 11.269 -1.155 6.907) 13.268 1.404 ( 14.275 -11.197 7.339) 19.570 1.534 ( 1.210 -1.748 -3.982) 4.514 1.569 ( 2.915 -4.457 -2.468) 5.869 1.884 ( -3.817 -0.162 -2.994) 4.853 1.908 ( -10.613 -4.735 -5.941) 13.051 1.975 ( -3.688 -0.917 -9.180) 9.936 2.087 ( 4.186 4.258 -3.234) 6.791 2.171 ( 4.618 -5.263 -5.220) 8.733 2.331 ( -2.087 -0.848 -0.946) 2.443 2.601 ( 1.576 2.336 1.469) 3.178 2.655 ( 1.385 -1.763 4.772) 5.272 2.810 ( -5.692 3.950 1.592) 7.109 2.869 ( -2.144 -0.507 5.992) 6.384 2.943 ( 1.008 2.271 -2.959) 3.863 3.016 ( 2.744 7.152 1.333) 7.775 3.191 ( 1.717 -0.555 3.198) 3.672 3.285 ( -1.305 0.697 15.076) 15.149 3.300 ( 6.524 -3.154 -0.335) 7.254 3.483 ( -1.523 2.961 -0.498) 3.367 3.519 ( -0.239 -0.894 -0.864) 1.266 3.610 ( 0.596 -1.006 -2.251) 2.537 3.755 ( 1.174 1.304 4.184) 4.537 3.813 ( -2.410 -2.215 -0.197) 3.279 3.974 ( -1.643 2.422 -1.694) 3.382 4.006 ( -1.062 4.853 0.454) 4.989 4.063 ( 4.407 0.766 -1.687) 4.781 4.107 ( -2.669 1.010 2.153) 3.575 4.239 ( -2.089 0.072 -6.199) 6.542 4.345 ( 4.024 -3.380 -5.245) 7.424 4.398 ( -2.875 1.362 2.207) 3.872 4.492 ( -1.354 -0.181 -1.206) 1.822 4.585 ( -3.622 1.660 -0.613) 4.031 4.610 ( -0.793 -1.800 -0.386) 2.005 4.662 ( 0.186 -0.462 2.226) 2.281 4.802 ( 2.113 0.358 0.480) 2.197 4.872 ( 0.349 -0.172 1.858) 1.898 4.907 ( -0.156 -0.023 -0.340) 0.375 5.085 ( 1.849 -1.262 -0.738) 2.357 5.159 ( 4.743 -0.639 -5.323) 7.158 5.817 ( -2.413 -0.793 -2.241) 3.387 5.836 ( 1.350 -1.561 2.021) 2.888 7.165 ( -3.538 -1.564 -4.423) 5.876 7.251 ( 5.926 -0.399 0.639) 5.973 8.858 ( -0.907 0.390 -1.774) 2.030 8.863 ( 1.217 0.302 0.999) 1.603 10.747 ( -1.889 0.131 1.648) 2.510 10.761 ( -0.352 -2.181 0.022) 2.209 10.831 ( -1.270 1.306 -1.014) 2.085 10.863 ( 0.170 0.570 2.633) 2.699 11.574 ( -3.741 -0.705 2.859) 4.761 11.725 ( 2.555 -0.290 0.507) 2.621 13.911 ( -0.475 -0.061 -0.360) 0.599 13.918 ( 0.233 -0.438 -0.048) 0.499 ======================= Grid point 157 (75/116) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 3.663 -0.606 -0.048) 3.713 1.563 ( -4.845 -3.406 6.230) 8.596 1.625 ( -9.127 -6.761 -1.256) 11.428 1.676 ( 5.392 -4.295 7.357) 10.082 1.863 ( 6.446 -1.244 1.714) 6.785 1.920 ( 10.511 -7.680 3.173) 13.399 1.993 ( 3.313 -4.455 -4.590) 7.204 2.134 ( 6.391 -0.933 -0.139) 6.460 2.231 ( 4.437 -7.325 -3.182) 9.136 2.373 ( 5.789 -2.866 2.589) 6.959 2.603 ( -3.324 2.033 0.381) 3.915 2.644 ( 0.253 3.447 -2.460) 4.243 2.763 ( -5.112 -5.055 4.135) 8.293 2.841 ( -1.201 6.802 2.480) 7.339 2.899 ( -0.352 6.306 -1.939) 6.607 2.994 ( 5.070 6.811 -1.391) 8.604 3.232 ( 0.480 1.907 -2.085) 2.866 3.349 ( -2.566 -0.254 -1.014) 2.771 3.384 ( -1.519 0.744 -3.860) 4.215 3.450 ( 1.155 1.794 -0.969) 2.343 3.509 ( 2.327 -0.764 6.337) 6.794 3.568 ( -3.276 -3.107 -4.414) 6.314 3.685 ( -7.061 5.869 -2.480) 9.511 3.853 ( 1.473 4.561 -10.832) 11.845 3.862 ( 0.877 -0.313 7.256) 7.316 3.952 ( -3.664 2.812 2.447) 5.227 4.083 ( -0.549 0.802 -1.035) 1.419 4.111 ( -1.726 -1.384 -1.698) 2.789 4.178 ( 5.508 0.613 1.303) 5.693 4.377 ( -3.040 0.370 4.740) 5.643 4.406 ( -1.676 -2.802 0.644) 3.328 4.458 ( 0.369 -1.177 -0.551) 1.351 4.525 ( 1.300 -2.354 -1.558) 3.108 4.660 ( 1.673 0.116 1.462) 2.225 4.702 ( 1.408 1.479 2.972) 3.606 4.848 ( 1.826 0.851 1.922) 2.784 4.870 ( -0.985 0.620 0.567) 1.294 4.911 ( 0.130 -1.170 -0.297) 1.214 5.115 ( 2.620 -1.623 -2.960) 4.273 5.177 ( 3.359 -0.670 -5.039) 6.093 5.756 ( -3.050 -1.813 -2.530) 4.358 5.903 ( 1.347 -1.476 3.327) 3.881 7.077 ( -3.903 -2.424 -4.706) 6.577 7.343 ( 4.696 -0.251 0.388) 4.719 8.820 ( -0.799 0.634 -1.945) 2.196 8.892 ( 1.317 0.445 1.365) 1.948 10.700 ( -5.349 -0.214 0.256) 5.360 10.754 ( 0.232 0.980 -1.710) 1.985 10.810 ( 0.042 0.576 -0.191) 0.609 10.896 ( 0.525 -1.358 2.952) 3.291 11.563 ( -1.782 -0.161 2.481) 3.059 11.784 ( 2.284 -0.618 2.565) 3.489 13.897 ( -0.719 -0.205 -0.595) 0.955 13.918 ( -0.306 -0.441 -0.593) 0.799 ======================= Grid point 158 (76/116) ======================= q-point: (-0.57 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -13.082 -3.953 8.063) 15.867 1.544 ( -7.052 -5.486 12.587) 15.436 1.628 ( 2.266 -2.767 7.668) 8.461 1.879 ( 2.876 -6.182 4.345) 8.085 1.938 ( 4.614 -2.361 3.625) 6.326 2.031 ( 6.755 1.491 -1.777) 7.142 2.136 ( 4.846 5.593 5.415) 9.170 2.266 ( 4.641 -4.821 -4.205) 7.903 2.396 ( 10.248 -4.605 1.386) 11.321 2.504 ( -0.787 -1.979 1.160) 2.425 2.539 ( 1.595 -0.917 -5.038) 5.364 2.664 ( 3.321 -4.768 1.252) 5.944 2.744 ( -1.529 -0.484 -1.810) 2.418 2.775 ( -2.824 7.411 4.110) 8.933 2.854 ( 0.698 -1.573 -1.764) 2.465 3.031 ( 3.881 4.279 -0.865) 5.841 3.090 ( -5.539 7.088 -5.301) 10.441 3.214 ( -5.796 8.197 -7.568) 12.572 3.300 ( -3.041 0.800 -2.297) 3.894 3.373 ( -0.848 2.355 -4.919) 5.519 3.440 ( -5.758 -7.624 -0.649) 9.576 3.555 ( 2.414 4.502 -4.336) 6.700 3.620 ( -3.715 2.975 -7.867) 9.195 3.742 ( 2.443 -0.517 -4.601) 5.235 3.853 ( 0.652 2.981 -3.403) 4.571 3.980 ( 2.260 -0.115 4.384) 4.934 4.072 ( 1.804 -3.087 0.550) 3.617 4.162 ( -1.405 -1.256 4.505) 4.883 4.289 ( 5.555 -0.382 2.852) 6.257 4.360 ( -5.192 -0.729 5.526) 7.618 4.416 ( 0.294 -0.236 2.383) 2.413 4.461 ( -2.715 -1.725 5.339) 6.233 4.613 ( 5.580 -2.825 -2.080) 6.592 4.688 ( 1.114 1.228 1.103) 1.991 4.724 ( 1.216 3.275 1.084) 3.658 4.817 ( -1.963 1.209 -1.787) 2.917 4.897 ( -0.150 -0.769 -0.674) 1.034 4.925 ( 0.799 -0.781 2.544) 2.778 5.130 ( 2.123 -1.113 -4.268) 4.895 5.175 ( 2.074 -0.073 -4.547) 4.998 5.704 ( -2.484 -0.957 -1.295) 2.960 5.965 ( 0.864 -1.176 3.128) 3.452 6.995 ( -3.445 -1.838 -3.576) 5.294 7.406 ( 3.008 0.569 0.042) 3.061 8.787 ( -0.254 0.573 -1.711) 1.822 8.922 ( 1.141 0.304 1.209) 1.690 10.617 ( -3.585 0.467 -1.239) 3.822 10.731 ( 0.347 1.812 -1.042) 2.119 10.800 ( -1.485 0.045 0.873) 1.723 10.955 ( 1.106 -1.820 2.554) 3.326 11.569 ( 0.073 0.134 1.466) 1.474 11.842 ( 0.380 -0.133 3.457) 3.481 13.884 ( -0.362 -0.131 -0.384) 0.544 13.906 ( -0.549 -0.216 -0.906) 1.081 ======================= Grid point 159 (77/116) ======================= q-point: (-0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -19.220 -6.245 9.358) 22.271 1.597 ( -10.293 2.880 24.553) 26.779 1.779 ( 8.281 3.629 2.547) 9.393 1.976 ( 2.041 3.245 -0.053) 3.834 2.029 ( -0.937 1.303 1.906) 2.492 2.123 ( 2.446 -4.347 3.411) 6.043 2.241 ( 7.881 -4.000 1.834) 9.026 2.318 ( 5.463 -2.352 -4.784) 7.633 2.453 ( -6.277 0.542 -5.966) 8.677 2.468 ( -6.264 4.175 2.829) 8.042 2.509 ( -10.022 9.102 0.060) 13.538 2.632 ( 5.666 -2.463 6.121) 8.697 2.679 ( -0.911 5.223 3.443) 6.322 2.802 ( -2.376 -0.221 -3.655) 4.364 2.871 ( 1.017 -4.208 -0.449) 4.352 2.926 ( -1.728 -0.789 -13.775) 13.905 2.997 ( 4.607 -3.123 -5.391) 7.748 3.122 ( 4.349 0.757 -0.000) 4.415 3.261 ( -0.415 1.249 -4.176) 4.378 3.342 ( -1.098 -4.796 -1.560) 5.161 3.396 ( -3.577 1.263 -5.687) 6.836 3.482 ( 2.214 0.385 -2.969) 3.723 3.560 ( 6.156 -2.113 -2.441) 6.951 3.712 ( 1.380 3.532 -1.997) 4.285 3.815 ( -4.072 2.969 0.584) 5.073 4.039 ( 2.833 -0.638 -0.601) 2.966 4.116 ( -1.458 -4.636 -0.983) 4.958 4.197 ( 2.842 -0.518 -0.342) 2.909 4.327 ( -2.369 0.331 3.344) 4.112 4.421 ( 0.491 -2.005 5.902) 6.252 4.441 ( 1.407 -0.828 0.440) 1.690 4.541 ( -0.567 -2.774 9.393) 9.810 4.639 ( 0.872 3.589 -1.489) 3.982 4.690 ( -0.054 2.635 -1.220) 2.904 4.716 ( -0.119 0.655 -1.473) 1.616 4.768 ( -0.120 1.508 0.508) 1.596 4.860 ( -1.580 0.419 -2.995) 3.412 4.990 ( 2.095 -3.170 1.600) 4.123 5.112 ( 0.287 0.206 -3.631) 3.648 5.149 ( 0.327 0.855 -4.184) 4.283 5.674 ( -0.798 0.454 0.383) 0.995 6.008 ( 0.442 -0.383 1.719) 1.815 6.938 ( -1.669 -0.083 -0.788) 1.847 7.424 ( 0.876 1.742 -0.698) 2.071 8.772 ( 0.548 0.194 -1.106) 1.250 8.942 ( 0.465 0.089 0.430) 0.639 10.577 ( -0.210 -0.227 0.011) 0.309 10.719 ( 0.589 0.727 -0.382) 1.010 10.783 ( -2.168 0.248 1.698) 2.765 10.998 ( 1.132 0.494 0.991) 1.584 11.593 ( 1.568 -0.472 0.354) 1.676 11.857 ( -2.493 0.786 2.996) 3.976 13.882 ( 0.254 0.027 0.073) 0.266 13.891 ( -0.203 0.150 -0.703) 0.747 ======================= Grid point 160 (78/116) ======================= q-point: (-0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -20.011 -3.389 12.262) 23.713 1.608 ( -14.857 12.268 17.130) 25.781 1.852 ( 8.865 4.785 -3.808) 10.770 1.905 ( -10.897 -0.457 -3.225) 11.374 1.953 ( 0.788 5.747 1.435) 5.975 2.082 ( -9.540 9.144 6.372) 14.671 2.190 ( -14.055 10.462 8.184) 19.338 2.257 ( -2.214 1.462 -0.419) 2.686 2.388 ( 6.217 -2.365 -10.157) 12.141 2.441 ( 5.636 -1.153 -11.274) 12.657 2.495 ( 6.565 -7.149 -0.776) 9.737 2.705 ( 2.251 -1.820 -10.033) 10.442 2.716 ( 1.635 -3.052 -2.866) 4.494 2.788 ( 4.595 -1.793 5.421) 7.329 2.898 ( 2.154 -1.063 5.957) 6.423 2.947 ( -1.321 -8.115 -1.051) 8.289 3.022 ( 1.968 -3.623 -1.425) 4.362 3.076 ( -7.694 -4.219 -8.675) 12.339 3.239 ( 2.509 -2.378 3.949) 5.248 3.341 ( -3.614 0.707 2.406) 4.398 3.424 ( 6.906 2.326 1.145) 7.377 3.498 ( 6.608 4.972 -0.122) 8.271 3.634 ( -0.044 -0.965 0.137) 0.976 3.663 ( -5.182 1.807 -1.471) 5.681 3.782 ( 4.051 -0.889 1.062) 4.281 4.061 ( 0.309 -0.276 -0.769) 0.873 4.139 ( 2.120 -6.519 -4.704) 8.314 4.222 ( 1.475 -1.840 -1.116) 2.609 4.332 ( -1.754 -0.189 3.364) 3.798 4.424 ( -4.441 2.258 0.628) 5.022 4.472 ( 2.485 -1.077 -1.542) 3.117 4.599 ( -2.031 1.687 -7.029) 7.508 4.607 ( -0.074 3.265 -1.292) 3.512 4.645 ( -1.685 -2.873 6.999) 7.751 4.712 ( 1.128 2.008 3.068) 3.837 4.768 ( 0.381 2.557 1.846) 3.176 4.816 ( -0.532 0.556 -0.158) 0.785 5.055 ( 1.133 -1.569 -0.574) 2.019 5.076 ( -0.858 -2.964 -5.229) 6.071 5.094 ( 0.281 2.625 -1.546) 3.059 5.680 ( 1.017 1.231 1.638) 2.288 6.011 ( -0.715 0.668 -0.641) 1.170 6.940 ( 1.772 1.260 2.319) 3.179 7.392 ( -1.011 2.288 -1.673) 3.009 8.779 ( 1.233 -0.209 -0.319) 1.290 8.941 ( -0.361 -0.080 -0.621) 0.723 10.616 ( 2.366 -1.534 2.454) 3.739 10.730 ( 0.984 -0.486 0.088) 1.101 10.764 ( -2.102 0.772 2.280) 3.196 10.995 ( 0.362 2.668 -1.561) 3.112 11.628 ( 2.068 -1.067 -0.542) 2.389 11.810 ( -5.157 1.633 1.898) 5.733 13.884 ( 0.273 0.323 -0.088) 0.432 13.894 ( 0.807 0.223 0.371) 0.915 ======================= Grid point 161 (79/116) ======================= q-point: (-0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -14.143 -2.518 13.542) 19.742 1.266 ( -19.551 17.911 10.805) 28.632 1.668 ( -12.911 0.914 -3.340) 13.367 1.838 ( -7.094 6.959 -5.818) 11.515 1.959 ( 9.313 0.369 -4.180) 10.215 2.018 ( 6.557 2.201 -1.212) 7.022 2.137 ( -1.247 1.810 9.717) 9.962 2.227 ( -1.773 1.471 -5.031) 5.533 2.301 ( 5.769 -0.666 -22.192) 22.940 2.363 ( -2.262 -0.328 0.239) 2.298 2.594 ( 1.211 -0.025 -4.166) 4.338 2.699 ( -2.092 -5.360 -2.960) 6.471 2.770 ( -3.292 0.342 -4.667) 5.722 2.852 ( 3.326 -7.070 -0.854) 7.860 2.943 ( 4.164 1.618 -1.132) 4.609 2.967 ( 2.239 -1.657 11.524) 11.856 3.014 ( -6.452 -6.678 2.388) 9.588 3.170 ( 1.043 -2.256 5.936) 6.435 3.249 ( -4.572 4.937 1.279) 6.849 3.305 ( -0.822 -0.117 7.743) 7.787 3.511 ( 2.780 -0.370 1.434) 3.150 3.547 ( -0.518 3.036 0.732) 3.166 3.637 ( 2.462 -2.508 -0.399) 3.537 3.682 ( 10.278 1.785 4.455) 11.343 3.875 ( 3.815 -1.395 0.938) 4.169 4.023 ( -5.762 -2.583 -1.341) 6.455 4.162 ( 1.425 -1.794 -2.093) 3.103 4.261 ( -3.290 4.749 -0.714) 5.821 4.315 ( 2.870 -6.223 -2.015) 7.143 4.378 ( -1.575 -0.881 0.385) 1.845 4.432 ( -0.365 2.277 -8.393) 8.704 4.521 ( 1.219 -0.456 -2.096) 2.467 4.558 ( -0.614 2.536 -2.125) 3.365 4.657 ( -3.815 -0.093 2.945) 4.820 4.764 ( 2.450 0.654 3.223) 4.101 4.795 ( -0.553 -0.635 0.990) 1.300 4.823 ( 0.984 1.603 3.232) 3.739 4.989 ( -4.883 -0.699 -3.488) 6.042 5.052 ( -0.179 0.608 0.126) 0.646 5.110 ( 4.194 -0.591 -5.389) 6.854 5.714 ( 1.978 1.022 2.232) 3.153 5.965 ( -2.039 0.953 -2.503) 3.367 7.018 ( 5.581 0.833 2.978) 6.381 7.327 ( -2.189 1.567 -2.634) 3.767 8.804 ( 1.479 -0.286 0.345) 1.545 8.922 ( -0.831 -0.145 -1.366) 1.605 10.703 ( 1.812 -2.052 3.300) 4.287 10.744 ( -1.086 1.028 2.440) 2.862 10.767 ( 1.993 -0.315 0.538) 2.088 10.938 ( -2.040 2.228 -1.877) 3.557 11.661 ( 1.469 -1.252 -0.823) 2.098 11.717 ( -6.017 1.983 1.123) 6.434 13.890 ( 0.705 0.291 0.345) 0.837 13.909 ( 0.667 0.183 0.413) 0.806 ======================= Grid point 163 (80/116) ======================= q-point: ( 0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -1.694 -0.000 4.692) 4.988 1.516 ( -13.488 -0.000 0.698) 13.506 1.573 ( 6.844 0.000 0.456) 6.860 1.650 ( 6.177 0.000 7.541) 9.748 1.815 ( 17.134 0.000 6.293) 18.253 1.866 ( 1.006 0.000 1.190) 1.558 1.955 ( 10.322 0.000 -7.169) 12.567 2.120 ( 3.817 0.000 -5.808) 6.950 2.181 ( 4.017 0.000 1.794) 4.399 2.345 ( 3.929 0.000 3.669) 5.376 2.619 ( -6.295 -0.000 1.244) 6.417 2.679 ( 1.730 0.000 -1.503) 2.291 2.720 ( -7.161 -0.000 3.575) 8.004 2.891 ( -2.484 -0.000 0.733) 2.590 2.963 ( 5.767 0.000 -4.056) 7.051 3.091 ( -1.765 -0.000 2.419) 2.994 3.218 ( 2.489 0.000 -0.001) 2.489 3.343 ( -0.709 -0.000 -2.908) 2.994 3.373 ( -7.725 -0.000 -7.409) 10.704 3.451 ( 4.940 0.000 9.605) 10.801 3.516 ( 5.159 0.000 0.378) 5.173 3.544 ( -3.219 -0.000 -9.156) 9.706 3.746 ( -0.362 -0.000 -3.535) 3.553 3.861 ( 0.150 0.000 5.402) 5.404 3.945 ( -10.048 -0.000 -1.312) 10.133 3.955 ( 1.968 0.000 -5.660) 5.992 4.059 ( -3.510 -0.000 7.785) 8.540 4.081 ( 0.372 0.000 -5.504) 5.516 4.237 ( 0.866 0.000 0.241) 0.899 4.353 ( 5.896 0.000 -1.203) 6.018 4.382 ( -3.242 -0.000 4.719) 5.726 4.433 ( -2.291 -0.000 -1.164) 2.570 4.502 ( -1.657 -0.000 -1.608) 2.310 4.663 ( 2.115 0.000 1.859) 2.816 4.716 ( 1.327 0.000 4.522) 4.712 4.858 ( 1.619 0.000 3.538) 3.891 4.885 ( -0.601 -0.000 -2.351) 2.426 4.892 ( 0.242 0.000 0.912) 0.943 5.102 ( 2.625 0.000 -2.047) 3.329 5.172 ( 4.301 0.000 -5.862) 7.271 5.739 ( -2.602 -0.000 -2.617) 3.691 5.890 ( 1.693 0.000 3.327) 3.734 7.056 ( -3.673 -0.000 -4.306) 5.659 7.340 ( 5.356 0.000 -0.239) 5.361 8.826 ( -0.871 -0.000 -1.956) 2.141 8.896 ( 1.232 0.000 1.308) 1.797 10.699 ( -5.443 -0.000 1.314) 5.599 10.752 ( 0.083 0.000 0.608) 0.614 10.832 ( 2.262 0.000 -3.236) 3.948 10.876 ( -1.417 -0.000 2.559) 2.925 11.563 ( -1.431 -0.000 3.058) 3.376 11.778 ( 2.445 0.000 2.335) 3.381 13.895 ( -0.639 -0.000 -0.685) 0.937 13.914 ( -0.192 -0.000 -0.504) 0.539 ======================= Grid point 164 (81/116) ======================= q-point: (-0.71 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -12.217 -5.711 6.900) 15.149 1.549 ( -0.660 1.186 17.446) 17.499 1.613 ( -1.146 -0.594 9.630) 9.717 1.804 ( -3.585 -1.792 6.074) 7.277 1.932 ( 9.693 1.226 2.835) 10.173 2.047 ( 12.311 -0.699 -4.628) 13.171 2.185 ( 10.019 -1.938 -5.061) 11.391 2.221 ( 7.184 2.712 4.476) 8.888 2.310 ( 14.577 -4.292 2.838) 15.458 2.476 ( 3.742 -1.095 2.540) 4.654 2.516 ( -5.353 -1.422 -0.399) 5.553 2.620 ( -3.271 -0.277 2.586) 4.179 2.715 ( 2.827 -0.444 -3.181) 4.278 2.819 ( -3.652 -1.550 -3.669) 5.404 2.964 ( -1.468 10.459 1.296) 10.641 3.065 ( -0.537 -0.577 -1.474) 1.672 3.158 ( -4.465 0.016 -8.866) 9.926 3.241 ( -5.289 -0.515 -5.178) 7.419 3.299 ( -1.385 -5.572 0.891) 5.810 3.349 ( -3.342 1.424 -12.819) 13.324 3.483 ( -5.492 6.333 -1.072) 8.451 3.611 ( -2.632 1.660 -6.562) 7.262 3.697 ( -0.296 5.085 -2.688) 5.759 3.729 ( 3.749 -0.452 -2.618) 4.595 3.883 ( 0.692 0.570 -5.869) 5.937 3.931 ( -2.369 -5.606 1.209) 6.205 4.070 ( -1.233 2.327 5.877) 6.439 4.159 ( 1.852 0.009 9.314) 9.496 4.267 ( 3.737 -1.123 -0.630) 3.952 4.338 ( -5.310 -1.422 1.515) 5.702 4.404 ( -2.016 -0.623 7.442) 7.736 4.440 ( -1.387 -0.423 -0.051) 1.451 4.557 ( 8.306 -2.676 -0.960) 8.780 4.703 ( 1.309 0.495 1.275) 1.893 4.767 ( 0.877 1.487 2.720) 3.222 4.840 ( -0.904 0.946 -3.026) 3.296 4.888 ( 0.129 -0.396 -1.447) 1.506 4.913 ( -1.141 -0.350 4.363) 4.523 5.122 ( 2.844 -0.075 -3.088) 4.199 5.176 ( 3.502 0.119 -5.382) 6.422 5.690 ( -1.418 -0.518 -1.192) 1.924 5.950 ( 1.348 -0.515 3.245) 3.551 6.974 ( -2.418 -0.627 -2.740) 3.708 7.411 ( 4.282 0.115 -0.906) 4.378 8.794 ( -0.485 0.206 -1.857) 1.931 8.926 ( 1.008 0.124 1.087) 1.487 10.624 ( -4.465 0.266 0.326) 4.485 10.759 ( 0.022 0.780 0.363) 0.861 10.818 ( 0.942 2.435 -2.081) 3.339 10.902 ( 0.071 -3.685 1.970) 4.179 11.579 ( 0.474 0.633 1.892) 2.051 11.837 ( 0.906 -0.284 3.359) 3.491 13.882 ( -0.226 -0.072 -0.420) 0.482 13.903 ( -0.274 -0.073 -0.838) 0.885 ======================= Grid point 165 (82/116) ======================= q-point: (-0.57 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -9.038 -0.165 10.111) 13.562 1.671 ( -5.857 4.766 24.297) 25.443 1.819 ( 4.636 0.329 15.622) 16.298 1.869 ( 3.270 -10.539 3.162) 11.479 2.061 ( 7.832 3.440 -3.218) 9.140 2.162 ( 2.174 4.891 1.303) 5.509 2.215 ( -1.127 -0.006 -0.554) 1.256 2.281 ( 6.834 -1.192 -5.312) 8.737 2.449 ( -2.386 -3.579 4.622) 6.314 2.460 ( 0.224 0.794 -6.849) 6.898 2.619 ( 6.204 0.981 3.271) 7.082 2.671 ( 1.293 2.307 -1.931) 3.275 2.725 ( 4.150 1.207 -1.934) 4.735 2.762 ( -6.422 -2.609 0.271) 6.937 2.863 ( -2.342 3.923 -2.116) 5.035 2.978 ( -1.123 3.809 -0.187) 3.975 3.000 ( -4.419 4.223 -13.962) 15.241 3.087 ( -2.884 -3.509 -4.411) 6.332 3.232 ( -4.854 -5.695 2.905) 8.027 3.292 ( -5.703 -0.434 -10.161) 11.660 3.388 ( 0.445 -3.884 -2.492) 4.636 3.403 ( -1.003 -0.432 -4.025) 4.171 3.643 ( 3.818 5.953 -3.151) 7.742 3.761 ( -0.171 2.181 -4.632) 5.123 3.863 ( 0.336 1.542 0.150) 1.586 3.998 ( 3.232 -3.365 0.917) 4.755 4.076 ( -2.937 -0.803 2.434) 3.898 4.216 ( 1.556 2.269 0.503) 2.797 4.292 ( -5.039 -3.057 2.956) 6.594 4.377 ( 2.522 -3.119 5.229) 6.591 4.433 ( 2.051 -0.068 -1.099) 2.328 4.488 ( -0.891 -2.706 9.359) 9.783 4.661 ( 3.533 -0.976 -2.374) 4.367 4.712 ( -0.474 2.006 0.068) 2.063 4.766 ( -0.254 2.928 0.506) 2.983 4.798 ( 0.725 1.391 -1.183) 1.965 4.862 ( -0.217 -0.174 -3.431) 3.442 4.933 ( -2.154 -2.893 2.434) 4.352 5.124 ( 1.796 1.122 -2.947) 3.629 5.169 ( 2.223 1.210 -4.058) 4.783 5.680 ( 0.364 0.196 0.532) 0.674 6.001 ( 1.063 -0.357 2.217) 2.485 6.941 ( -0.115 0.310 0.080) 0.341 7.448 ( 2.459 0.997 -1.676) 3.138 8.774 ( 0.219 0.047 -1.410) 1.428 8.943 ( 0.347 0.055 0.285) 0.453 10.579 ( -1.125 0.251 0.595) 1.297 10.746 ( 0.329 2.026 -0.603) 2.139 10.794 ( -0.657 1.580 0.507) 1.784 10.964 ( 0.959 -4.214 0.924) 4.419 11.602 ( 1.940 1.169 0.328) 2.289 11.865 ( -1.796 0.159 2.935) 3.445 13.882 ( 0.392 0.010 0.137) 0.415 13.894 ( 0.166 0.139 -0.700) 0.732 ======================= Grid point 166 (83/116) ======================= q-point: (-0.43 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -7.966 8.612 12.079) 16.838 1.772 ( -5.990 7.699 22.270) 24.313 1.926 ( -4.538 4.726 2.181) 6.905 1.984 ( 4.790 6.819 -5.170) 9.807 2.058 ( -0.370 5.485 -1.056) 5.598 2.129 ( 0.433 -6.284 2.276) 6.697 2.264 ( 1.811 -6.744 -0.217) 6.987 2.329 ( -3.107 1.876 -1.630) 3.979 2.371 ( 2.813 2.377 -9.362) 10.060 2.430 ( -4.331 10.297 -1.831) 11.320 2.506 ( -1.892 7.142 -0.340) 7.396 2.638 ( 0.882 -5.963 -1.417) 6.192 2.696 ( -0.826 -3.461 -13.752) 14.205 2.726 ( -2.560 -0.293 2.568) 3.637 2.821 ( -2.842 -4.105 0.128) 4.995 2.876 ( 0.811 -1.161 7.171) 7.309 3.001 ( 5.794 1.533 1.851) 6.273 3.036 ( -8.106 -1.418 -12.739) 15.166 3.190 ( 3.798 -3.333 4.888) 7.030 3.281 ( -0.819 -7.005 3.078) 7.695 3.436 ( 1.027 -7.942 1.562) 8.159 3.459 ( 2.038 -0.632 -0.073) 2.135 3.678 ( 4.048 -1.690 -3.487) 5.604 3.692 ( 2.105 4.519 -1.415) 5.182 3.798 ( -2.207 4.694 -0.986) 5.280 4.037 ( -3.387 -1.085 0.004) 3.556 4.073 ( 3.576 -1.596 -1.413) 4.163 4.230 ( 1.928 0.467 -2.542) 3.225 4.274 ( -5.223 -5.089 3.758) 8.204 4.442 ( -2.236 0.051 2.540) 3.384 4.466 ( 3.230 0.600 -1.368) 3.558 4.590 ( -0.242 -2.558 6.399) 6.896 4.618 ( -2.423 -0.074 -5.985) 6.457 4.674 ( -0.384 3.834 -0.388) 3.872 4.744 ( 0.316 1.315 0.144) 1.360 4.810 ( 1.259 1.919 -0.025) 2.296 4.832 ( 0.476 1.342 0.037) 1.424 4.949 ( -1.805 -6.939 -1.911) 7.420 5.101 ( 0.492 2.658 -1.658) 3.171 5.147 ( 1.671 3.173 -2.198) 4.206 5.704 ( 1.770 1.401 1.900) 2.951 6.024 ( 0.194 0.676 0.068) 0.707 6.966 ( 2.525 1.660 2.746) 4.083 7.435 ( 0.351 2.353 -2.548) 3.486 8.774 ( 0.944 -0.369 -0.651) 1.205 8.940 ( -0.475 -0.126 -0.800) 0.939 10.602 ( 2.179 -0.313 2.073) 3.024 10.733 ( 0.188 1.000 0.122) 1.025 10.780 ( -0.821 1.416 1.549) 2.253 11.003 ( 0.334 -2.095 -1.295) 2.486 11.626 ( 2.525 0.843 -0.761) 2.768 11.834 ( -4.401 1.010 1.694) 4.823 13.890 ( 0.554 0.440 0.125) 0.719 13.898 ( 0.947 0.228 0.233) 1.002 ======================= Grid point 167 (84/116) ======================= q-point: (-0.29 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -3.122 13.321 11.823) 18.082 1.615 ( -16.064 20.793 7.669) 27.372 1.733 ( -7.585 6.889 -2.217) 10.484 1.970 ( 5.020 4.696 -6.383) 9.381 2.005 ( -4.955 5.599 -2.244) 7.806 2.088 ( 0.535 6.637 -3.457) 7.502 2.178 ( -0.388 2.535 1.299) 2.875 2.270 ( -0.137 -0.557 -16.601) 16.610 2.278 ( 3.144 1.465 -4.832) 5.948 2.375 ( -0.843 2.208 -0.395) 2.396 2.579 ( -4.708 -4.640 -7.588) 10.064 2.606 ( 5.020 -5.038 8.445) 11.041 2.644 ( 2.669 -6.586 -6.121) 9.379 2.812 ( -4.659 -1.999 -1.870) 5.404 2.865 ( -0.696 -7.527 -0.178) 7.561 2.882 ( -1.192 -7.440 12.238) 14.371 2.944 ( 1.836 -0.904 -0.230) 2.060 3.177 ( 4.446 1.196 10.518) 11.482 3.279 ( -0.372 -0.334 1.952) 2.015 3.318 ( -1.962 0.614 4.880) 5.295 3.490 ( 2.135 -3.368 -0.900) 4.088 3.539 ( -0.388 -5.035 2.451) 5.614 3.638 ( 0.104 3.603 1.884) 4.067 3.728 ( 4.422 2.503 2.020) 5.468 3.810 ( 1.625 -4.930 0.751) 5.245 3.992 ( -1.814 0.627 -2.463) 3.123 4.159 ( 7.561 -3.853 -4.073) 9.413 4.207 ( -0.505 -0.691 -1.506) 1.732 4.284 ( -5.211 -4.579 2.134) 7.258 4.371 ( -5.495 1.167 1.630) 5.849 4.452 ( -0.282 0.896 -8.925) 8.974 4.533 ( 2.253 1.445 -3.000) 4.020 4.616 ( -1.431 3.859 -1.788) 4.487 4.648 ( -2.146 -1.064 4.258) 4.886 4.760 ( 1.077 -1.517 -1.175) 2.200 4.806 ( 0.658 1.620 1.484) 2.293 4.855 ( 1.078 2.019 2.723) 3.557 4.928 ( -4.042 -6.101 -4.834) 8.771 5.079 ( 1.096 2.843 0.039) 3.047 5.134 ( 2.972 3.261 -2.065) 4.871 5.743 ( 2.158 2.171 2.603) 4.018 5.992 ( -1.393 2.027 -2.058) 3.207 7.043 ( 4.875 1.838 3.543) 6.301 7.372 ( -1.360 3.261 -3.338) 4.861 8.795 ( 1.347 -0.709 0.146) 1.529 8.918 ( -0.936 -0.361 -1.559) 1.854 10.679 ( 3.057 -0.613 3.089) 4.389 10.742 ( -0.019 -0.814 1.937) 2.101 10.776 ( 0.173 1.436 1.114) 1.825 10.974 ( -1.957 0.862 -2.864) 3.575 11.650 ( 1.870 0.255 -0.663) 2.000 11.752 ( -5.471 1.759 0.583) 5.777 13.899 ( 0.792 0.682 0.405) 1.120 13.914 ( 0.782 0.366 0.411) 0.956 ======================= Grid point 168 (85/116) ======================= q-point: (-0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 3.434 12.713 9.559) 16.272 1.330 ( -3.848 18.362 9.155) 20.875 1.568 ( -0.628 7.522 -3.310) 8.242 1.736 ( -5.727 8.694 -7.609) 12.895 2.005 ( 0.875 -0.512 -1.735) 2.009 2.023 ( -2.286 -0.817 -8.230) 8.581 2.093 ( 0.164 3.490 -11.650) 12.162 2.146 ( 5.291 1.702 -11.829) 13.070 2.262 ( -1.281 -2.353 -7.504) 7.968 2.355 ( -2.269 1.030 -9.263) 9.592 2.494 ( 1.734 0.103 15.214) 15.312 2.671 ( -3.976 -0.054 -1.078) 4.119 2.763 ( -0.496 -1.518 4.822) 5.080 2.854 ( 4.387 -9.770 2.747) 11.057 2.889 ( -3.576 -4.224 1.454) 5.722 2.962 ( -0.138 -2.040 -0.904) 2.236 3.065 ( -1.053 -4.121 15.898) 16.458 3.221 ( -2.096 0.125 0.631) 2.192 3.263 ( 3.136 3.663 0.252) 4.828 3.407 ( 2.207 -0.917 8.016) 8.365 3.533 ( -1.897 0.729 1.092) 2.307 3.575 ( 3.942 -0.256 2.790) 4.836 3.692 ( 2.355 -1.628 1.834) 3.400 3.869 ( -1.908 -2.627 2.905) 4.356 3.875 ( 4.239 -4.770 5.735) 8.580 3.933 ( 1.960 0.868 -2.888) 3.597 4.136 ( -1.532 1.112 -6.524) 6.793 4.175 ( -9.239 -1.085 0.208) 9.305 4.300 ( 7.296 -3.416 -4.779) 9.367 4.330 ( 0.632 0.085 -6.256) 6.288 4.389 ( -2.032 -2.950 1.681) 3.957 4.532 ( 0.457 2.080 -3.100) 3.761 4.557 ( 0.362 1.752 0.982) 2.041 4.644 ( -2.749 0.608 3.655) 4.613 4.752 ( -2.140 -2.479 -4.504) 5.569 4.801 ( -1.171 0.065 -5.096) 5.230 4.847 ( 0.134 1.722 3.287) 3.713 4.901 ( -0.705 -0.834 1.781) 2.089 5.080 ( 1.410 2.480 0.194) 2.859 5.142 ( 4.484 1.655 -4.086) 6.287 5.785 ( 1.985 1.960 2.856) 3.992 5.914 ( -2.514 2.348 -3.144) 4.660 7.148 ( 5.985 0.995 2.251) 6.472 7.277 ( -2.567 3.002 -3.980) 5.607 8.827 ( 1.377 -0.686 0.747) 1.710 8.889 ( -1.019 -0.490 -1.837) 2.157 10.737 ( 0.661 -0.431 1.718) 1.890 10.769 ( 0.303 2.050 1.561) 2.594 10.806 ( 1.884 -1.934 2.431) 3.633 10.890 ( -3.951 1.176 -1.496) 4.385 11.634 ( -4.930 1.419 1.870) 5.460 11.695 ( 1.505 0.480 -0.942) 1.840 13.910 ( 0.571 0.510 0.454) 0.890 13.921 ( 0.225 0.469 0.030) 0.521 ======================= Grid point 171 (86/116) ======================= q-point: ( 0.29 -0.71 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -0.385 -0.000 10.566) 10.573 1.707 ( 0.430 0.000 13.755) 13.761 1.782 ( -5.707 -0.000 10.214) 11.701 1.804 ( 1.954 0.000 26.146) 26.219 2.119 ( 8.883 0.000 -5.002) 10.195 2.192 ( 9.393 0.000 -4.087) 10.243 2.196 ( 0.108 0.000 -0.990) 0.996 2.297 ( 2.659 0.000 -2.925) 3.953 2.405 ( -3.706 -0.000 4.297) 5.674 2.468 ( -0.697 -0.000 -5.297) 5.343 2.648 ( 5.861 0.000 -2.138) 6.239 2.666 ( -1.133 -0.000 6.416) 6.515 2.695 ( 8.228 0.000 -1.927) 8.451 2.760 ( 6.192 0.000 -6.784) 9.185 2.930 ( -8.424 -0.000 -3.627) 9.172 2.987 ( -0.520 -0.000 -0.542) 0.751 3.057 ( -1.058 -0.000 -13.186) 13.229 3.106 ( -4.635 -0.000 -3.361) 5.726 3.113 ( -4.698 -0.000 1.478) 4.925 3.291 ( -11.908 -0.000 -12.003) 16.908 3.385 ( 4.090 0.000 1.110) 4.238 3.386 ( -10.902 -0.000 -4.734) 11.885 3.706 ( 0.764 0.000 -4.023) 4.095 3.782 ( -2.331 -0.000 -5.611) 6.076 3.867 ( 6.080 0.000 1.787) 6.337 3.954 ( 2.974 0.000 3.478) 4.576 4.071 ( -3.295 -0.000 2.680) 4.247 4.237 ( -7.454 -0.000 1.424) 7.589 4.289 ( 2.893 0.000 -3.177) 4.297 4.327 ( 3.426 0.000 9.078) 9.703 4.433 ( 2.479 0.000 -1.116) 2.719 4.462 ( -0.769 -0.000 8.977) 9.009 4.649 ( 3.578 0.000 -1.778) 3.995 4.732 ( 0.473 0.000 0.956) 1.067 4.792 ( 0.331 0.000 -1.643) 1.676 4.815 ( 0.448 0.000 0.557) 0.715 4.854 ( 0.194 0.000 -5.052) 5.056 4.908 ( -4.377 -0.000 3.677) 5.716 5.137 ( 2.294 0.000 -2.321) 3.263 5.181 ( 3.183 0.000 -4.343) 5.384 5.682 ( 0.918 0.000 0.592) 1.092 5.998 ( 1.325 0.000 2.411) 2.751 6.945 ( 0.499 0.000 0.402) 0.641 7.456 ( 3.191 0.000 -2.150) 3.848 8.774 ( 0.087 0.000 -1.557) 1.560 8.944 ( 0.303 0.000 0.210) 0.368 10.581 ( -1.832 -0.000 1.284) 2.237 10.763 ( -1.613 -0.000 2.150) 2.688 10.836 ( 3.923 0.000 -5.576) 6.818 10.897 ( -0.977 -0.000 3.330) 3.470 11.615 ( 2.081 0.000 0.261) 2.097 11.865 ( -1.548 -0.000 3.007) 3.382 13.882 ( 0.472 0.000 0.178) 0.505 13.895 ( 0.306 0.000 -0.714) 0.777 ======================= Grid point 173 (87/116) ======================= q-point: (-0.57 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 4.779 11.276 10.362) 16.042 1.863 ( -0.626 -3.466 13.174) 13.637 1.898 ( 4.590 -4.780 11.705) 13.451 2.039 ( -1.143 6.871 13.073) 14.813 2.095 ( 0.035 3.800 -8.790) 9.576 2.134 ( -4.259 0.233 -4.146) 5.948 2.175 ( -1.878 -4.861 4.706) 7.021 2.362 ( 4.542 2.916 -6.522) 8.466 2.401 ( -1.087 1.783 -4.297) 4.778 2.467 ( -2.178 -4.996 0.429) 5.467 2.548 ( 4.178 -2.223 -5.574) 7.312 2.618 ( -3.042 -1.729 -9.600) 10.218 2.678 ( -0.932 6.472 -8.627) 10.825 2.734 ( -6.071 -0.647 -5.981) 8.547 2.871 ( 1.662 2.881 2.331) 4.062 2.939 ( -3.168 12.364 2.493) 13.005 3.013 ( -6.424 -0.239 -10.481) 12.295 3.053 ( -0.013 2.454 3.630) 4.382 3.124 ( -0.245 -7.318 2.432) 7.715 3.130 ( 5.783 -5.234 8.046) 11.206 3.264 ( -4.270 -10.274 2.467) 11.396 3.450 ( 1.913 -0.639 2.487) 3.203 3.643 ( -2.202 -1.035 -7.616) 7.995 3.748 ( 5.286 1.641 -2.221) 5.963 3.884 ( -2.484 3.391 0.510) 4.234 4.028 ( -3.042 0.380 1.367) 3.357 4.054 ( 2.473 -1.554 -0.869) 3.047 4.160 ( -5.301 -3.788 3.171) 7.246 4.279 ( 1.219 2.032 -2.803) 3.670 4.432 ( 0.993 -0.943 2.955) 3.256 4.481 ( 3.516 0.794 -0.587) 3.652 4.553 ( 0.134 -1.426 7.940) 8.068 4.610 ( -2.709 -0.481 -4.941) 5.655 4.725 ( -0.335 1.803 -1.550) 2.401 4.764 ( -0.172 1.459 -2.911) 3.260 4.808 ( 0.503 -2.678 -5.677) 6.297 4.854 ( 1.480 0.934 2.585) 3.122 4.873 ( -3.623 -1.242 1.962) 4.304 5.140 ( 1.155 1.381 -1.349) 2.249 5.189 ( 2.854 1.400 -2.481) 4.032 5.722 ( 2.447 0.580 2.056) 3.248 6.032 ( 0.900 0.256 0.624) 1.125 6.988 ( 2.866 0.750 3.114) 4.298 7.464 ( 1.572 0.917 -3.266) 3.738 8.769 ( 0.758 -0.201 -0.945) 1.228 8.938 ( -0.561 -0.067 -0.972) 1.124 10.598 ( 1.145 -0.184 2.885) 3.109 10.752 ( -2.176 0.711 2.406) 3.321 10.825 ( 3.172 3.769 -3.297) 5.928 10.937 ( -0.027 -4.681 0.366) 4.695 11.645 ( 2.707 0.837 -1.170) 3.066 11.844 ( -4.152 0.232 1.805) 4.533 13.897 ( 0.803 0.257 0.507) 0.984 13.900 ( 1.020 0.039 -0.077) 1.023 ======================= Grid point 174 (88/116) ======================= q-point: (-0.43 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 5.180 19.289 7.789) 21.438 1.872 ( -5.301 9.098 -4.601) 11.491 1.912 ( -7.428 11.540 7.600) 15.687 2.038 ( 2.471 2.459 -6.094) 7.021 2.066 ( -0.014 1.737 -1.598) 2.360 2.153 ( 1.051 -3.775 2.987) 4.927 2.223 ( -1.173 0.697 -9.005) 9.108 2.239 ( 2.543 -1.009 -10.965) 11.301 2.248 ( -2.144 -0.966 -1.111) 2.601 2.411 ( -5.024 -3.878 -3.890) 7.444 2.482 ( -1.386 -2.664 -4.573) 5.471 2.581 ( 1.077 5.109 0.202) 5.226 2.601 ( -5.077 -2.832 -7.527) 9.511 2.760 ( 3.722 -2.165 2.092) 4.788 2.798 ( -2.720 2.724 10.509) 11.192 2.849 ( -0.812 3.546 1.749) 4.036 2.929 ( 1.053 0.168 2.289) 2.525 3.120 ( 0.231 -9.067 2.311) 9.360 3.273 ( 0.047 -0.709 8.865) 8.894 3.310 ( 3.288 -3.579 4.900) 6.901 3.375 ( 2.779 -5.084 5.246) 7.816 3.516 ( 3.789 0.473 0.064) 3.819 3.574 ( -4.137 -8.165 3.713) 9.878 3.771 ( -2.955 3.972 0.135) 4.953 3.832 ( 4.317 4.120 -2.840) 6.609 3.993 ( 0.029 -1.840 -0.348) 1.873 4.076 ( 1.612 -4.057 -2.289) 4.929 4.178 ( -4.480 -4.858 2.560) 7.087 4.250 ( 1.807 2.923 -2.512) 4.257 4.384 ( -8.148 0.231 1.431) 8.276 4.475 ( 0.415 1.516 -9.318) 9.450 4.558 ( 3.005 1.447 -1.596) 3.698 4.625 ( -1.483 -1.404 5.261) 5.643 4.668 ( -0.404 1.097 -5.146) 5.277 4.721 ( -1.592 -2.141 -2.908) 3.947 4.799 ( 1.037 -2.931 -4.255) 5.269 4.861 ( -1.249 -0.158 2.085) 2.436 4.887 ( 0.676 1.512 2.794) 3.248 5.131 ( 1.364 2.634 -0.377) 2.990 5.193 ( 2.659 2.950 -1.911) 4.408 5.778 ( 2.474 1.667 2.980) 4.217 6.024 ( -0.581 1.512 -1.450) 2.174 7.072 ( 4.069 1.437 4.248) 6.055 7.424 ( -0.112 2.436 -4.169) 4.830 8.783 ( 1.235 -0.626 -0.140) 1.392 8.911 ( -1.065 -0.328 -1.830) 2.143 10.669 ( 2.490 -0.755 4.167) 4.913 10.737 ( -2.028 0.273 2.483) 3.218 10.816 ( 2.393 3.320 -1.293) 4.292 10.956 ( -0.821 -2.805 -2.420) 3.794 11.664 ( 2.450 1.066 -1.256) 2.953 11.772 ( -5.671 0.697 0.712) 5.758 13.911 ( 0.892 0.641 0.481) 1.199 13.919 ( 0.924 0.189 0.430) 1.036 ======================= Grid point 175 (89/116) ======================= q-point: (-0.29 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 4.976 18.119 4.851) 19.406 1.647 ( -2.303 14.690 -3.232) 15.216 1.760 ( -2.685 15.224 3.489) 15.848 1.881 ( -5.808 6.847 -10.271) 13.642 1.992 ( 2.590 -0.557 -5.890) 6.459 2.024 ( -5.673 2.104 -3.433) 6.957 2.139 ( -1.217 -0.231 -11.156) 11.224 2.213 ( 7.738 5.500 -9.317) 13.302 2.259 ( -2.736 2.622 -3.502) 5.160 2.362 ( 1.053 0.213 -4.069) 4.209 2.509 ( 2.387 2.554 8.065) 8.790 2.583 ( 3.502 -13.314 1.502) 13.848 2.662 ( -1.795 -12.582 0.085) 12.710 2.708 ( -4.791 0.419 0.113) 4.810 2.876 ( -0.799 0.787 6.089) 6.191 2.932 ( 2.034 -0.121 -1.626) 2.607 3.022 ( 1.569 -0.972 18.319) 18.412 3.203 ( -2.098 -2.232 -0.002) 3.064 3.255 ( -0.770 -4.696 0.379) 4.774 3.410 ( 2.464 -0.252 2.595) 3.587 3.538 ( 1.124 0.395 3.309) 3.517 3.572 ( 5.462 0.280 4.528) 7.100 3.664 ( -2.565 -1.587 5.960) 6.680 3.755 ( -0.030 -6.571 7.468) 9.947 3.847 ( 2.940 0.244 1.266) 3.210 3.981 ( -0.965 2.897 -2.247) 3.791 4.092 ( -11.884 -5.801 1.058) 13.267 4.149 ( 0.841 -3.031 -4.928) 5.846 4.252 ( 6.882 -0.300 -4.395) 8.171 4.324 ( -2.486 -2.330 2.681) 4.336 4.359 ( 1.250 1.049 -9.532) 9.670 4.562 ( 0.147 -0.095 -4.648) 4.651 4.584 ( -4.365 1.337 1.154) 4.708 4.652 ( -0.014 0.060 0.544) 0.548 4.697 ( 0.013 -2.680 -4.165) 4.953 4.786 ( 0.689 -1.309 -4.320) 4.567 4.876 ( 0.236 1.458 3.273) 3.591 4.905 ( -0.326 1.150 2.250) 2.548 5.132 ( 1.963 3.179 -0.151) 3.739 5.184 ( 2.818 2.934 -2.960) 5.032 5.825 ( 1.732 2.457 3.324) 4.482 5.961 ( -2.247 2.758 -2.788) 4.519 7.168 ( 4.470 1.297 3.604) 5.887 7.338 ( -1.676 3.689 -4.855) 6.324 8.813 ( 1.400 -0.910 0.626) 1.783 8.878 ( -1.116 -0.673 -2.107) 2.477 10.729 ( -0.926 -0.451 2.429) 2.639 10.767 ( 1.276 -2.231 4.077) 4.819 10.815 ( 1.581 2.839 0.070) 3.250 10.907 ( -2.494 0.612 -3.583) 4.408 11.662 ( -3.694 1.698 1.309) 4.271 11.702 ( 0.373 0.309 -0.701) 0.852 13.920 ( 0.209 0.636 0.509) 0.841 13.930 ( 0.590 0.581 0.047) 0.829 ======================= Grid point 176 (90/116) ======================= q-point: (-0.14 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 3.321 10.625 2.439) 11.396 1.580 ( 8.031 7.306 -4.258) 11.662 1.659 ( -4.932 8.298 -1.503) 9.769 1.691 ( 6.455 12.709 3.005) 14.567 1.897 ( -3.255 2.249 -2.589) 4.729 1.962 ( -6.999 1.643 -5.652) 9.145 2.040 ( 3.201 -0.292 -0.250) 3.224 2.094 ( 2.865 11.428 -6.708) 13.558 2.266 ( 7.781 5.812 -4.187) 10.576 2.356 ( -0.067 2.045 -2.665) 3.360 2.564 ( -1.248 -1.606 1.377) 2.456 2.646 ( -1.404 -4.433 -0.276) 4.659 2.712 ( 0.101 -5.841 5.014) 7.698 2.801 ( 2.024 -12.396 1.817) 12.690 2.885 ( -3.772 0.151 2.824) 4.715 2.924 ( -0.932 -1.941 -1.149) 2.441 3.200 ( 1.658 -2.629 -0.817) 3.214 3.257 ( 3.473 0.898 15.406) 15.818 3.331 ( 3.510 -2.168 4.490) 6.097 3.430 ( -1.317 -2.199 -3.076) 4.004 3.523 ( -1.478 -0.138 -1.002) 1.791 3.628 ( 0.653 0.095 -0.688) 0.953 3.748 ( 1.180 0.503 4.229) 4.419 3.844 ( -4.478 0.271 -3.556) 5.724 3.893 ( -5.118 -4.322 11.568) 13.368 3.941 ( 1.428 -2.829 -2.181) 3.847 4.036 ( 0.621 -2.231 -3.431) 4.139 4.054 ( -2.140 -2.885 0.638) 3.648 4.265 ( 0.737 1.748 -9.375) 9.565 4.360 ( -1.745 -3.154 4.052) 5.423 4.390 ( 7.548 0.882 -1.393) 7.726 4.490 ( -1.861 -1.120 -4.746) 5.220 4.540 ( -3.895 -2.866 1.016) 4.942 4.646 ( 0.481 2.203 0.220) 2.266 4.674 ( 0.062 0.724 -1.044) 1.272 4.792 ( 2.433 -0.649 -0.442) 2.556 4.884 ( -1.063 1.456 1.593) 2.406 4.911 ( 0.162 0.495 1.089) 1.208 5.125 ( 1.943 3.144 -1.762) 4.094 5.180 ( 3.331 1.677 -3.903) 5.398 5.847 ( -1.700 2.583 0.016) 3.092 5.875 ( -0.212 2.628 0.217) 2.645 7.211 ( -3.078 3.467 -4.557) 6.501 7.264 ( 4.497 1.038 1.337) 4.805 8.846 ( -0.655 -0.885 -1.435) 1.809 8.853 ( 1.081 -0.768 0.561) 1.440 10.740 ( -0.941 -0.955 1.225) 1.816 10.803 ( -4.073 -1.374 -0.149) 4.301 10.812 ( 0.141 1.866 -2.082) 2.799 10.853 ( 1.520 0.905 3.517) 3.937 11.593 ( -4.101 1.322 2.018) 4.758 11.732 ( 2.532 0.519 0.996) 2.770 13.914 ( -0.607 0.349 -0.134) 0.713 13.929 ( 0.162 0.785 -0.242) 0.837 ======================= Grid point 180 (91/116) ======================= q-point: ( 0.43 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 10.498 0.000 4.954) 11.608 1.882 ( 1.145 0.000 -2.141) 2.427 2.003 ( -3.797 -0.000 -2.257) 4.417 2.017 ( -1.346 -0.000 0.598) 1.473 2.061 ( 1.412 0.000 -0.503) 1.499 2.145 ( 4.360 0.000 4.926) 6.578 2.207 ( 1.291 0.000 -10.860) 10.937 2.254 ( -7.481 -0.000 3.290) 8.173 2.297 ( -5.737 -0.000 -6.206) 8.452 2.345 ( -7.351 -0.000 3.036) 7.954 2.391 ( 0.890 0.000 -15.339) 15.365 2.552 ( -6.148 -0.000 -8.856) 10.781 2.712 ( 4.650 0.000 3.933) 6.091 2.780 ( 3.272 0.000 1.283) 3.515 2.818 ( -2.321 -0.000 -1.355) 2.687 2.907 ( 5.346 0.000 -1.585) 5.576 2.931 ( -6.555 -0.000 -1.548) 6.735 3.076 ( -4.813 -0.000 10.091) 11.180 3.142 ( 3.009 0.000 6.709) 7.353 3.266 ( -2.503 -0.000 13.801) 14.027 3.368 ( 10.837 0.000 5.598) 12.198 3.494 ( -5.952 -0.000 4.852) 7.679 3.524 ( 4.239 0.000 -2.038) 4.704 3.827 ( -6.703 -0.000 0.366) 6.713 3.860 ( 10.172 0.000 -4.611) 11.168 3.992 ( -1.684 -0.000 -0.061) 1.685 4.001 ( -5.404 -0.000 0.997) 5.495 4.146 ( 0.032 0.000 0.441) 0.442 4.284 ( 1.356 0.000 -2.323) 2.690 4.384 ( -9.403 -0.000 1.116) 9.469 4.492 ( 1.188 0.000 -7.379) 7.474 4.576 ( 4.939 0.000 -1.734) 5.235 4.606 ( -2.426 -0.000 3.918) 4.608 4.652 ( -1.096 -0.000 -9.903) 9.964 4.718 ( -2.690 -0.000 -0.305) 2.707 4.771 ( 2.172 0.000 -3.404) 4.038 4.865 ( -0.490 -0.000 2.746) 2.789 4.901 ( 0.510 0.000 2.444) 2.497 5.155 ( 1.364 0.000 -0.505) 1.454 5.220 ( 2.708 0.000 -2.013) 3.374 5.793 ( 2.644 0.000 3.121) 4.091 6.038 ( -0.221 -0.000 -1.172) 1.192 7.086 ( 3.727 0.000 4.565) 5.893 7.445 ( 0.509 0.000 -4.542) 4.570 8.777 ( 1.205 0.000 -0.282) 1.237 8.908 ( -1.123 -0.000 -1.962) 2.261 10.661 ( 1.876 0.000 4.615) 4.982 10.741 ( -3.085 -0.000 3.162) 4.417 10.871 ( 5.841 0.000 -6.210) 8.525 10.904 ( -2.218 -0.000 1.431) 2.639 11.675 ( 2.565 0.000 -1.600) 3.023 11.778 ( -5.835 -0.000 0.886) 5.902 13.918 ( 0.581 0.000 0.881) 1.055 13.919 ( 1.340 0.000 0.077) 1.343 ======================= Grid point 182 (92/116) ======================= q-point: (-0.43 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 2.251 11.414 -3.482) 12.144 1.797 ( -3.407 3.078 -6.982) 8.356 1.957 ( -1.841 3.240 -12.078) 12.640 1.965 ( -1.487 4.622 -14.338) 15.138 2.011 ( 4.561 5.148 1.781) 7.105 2.121 ( -3.438 4.836 2.887) 6.599 2.173 ( -1.934 4.809 -1.105) 5.300 2.249 ( 5.209 1.531 -1.396) 5.606 2.272 ( -1.836 -3.583 -1.295) 4.230 2.333 ( 7.459 -3.470 4.980) 9.616 2.362 ( -6.086 -7.518 -0.484) 9.685 2.433 ( -1.172 -12.253 -0.695) 12.328 2.656 ( 0.861 10.762 -2.078) 10.994 2.748 ( -0.119 4.282 -0.332) 4.296 2.865 ( -3.360 -1.075 1.372) 3.785 2.906 ( 3.966 -6.670 -0.524) 7.777 3.039 ( 1.494 1.737 5.519) 5.976 3.143 ( -0.666 -1.758 3.428) 3.909 3.205 ( -2.518 0.205 6.878) 7.327 3.332 ( 3.234 -7.289 7.004) 10.613 3.568 ( 3.997 1.923 4.794) 6.531 3.583 ( 4.765 0.528 2.417) 5.369 3.621 ( 0.674 -2.376 17.587) 17.759 3.704 ( -7.004 -0.072 0.450) 7.019 3.878 ( 0.497 2.766 -0.026) 2.810 3.965 ( -3.334 -4.752 1.016) 5.893 4.041 ( -9.035 0.980 -1.888) 9.282 4.081 ( 5.627 -3.537 -1.431) 6.798 4.269 ( 2.183 1.295 -5.034) 5.638 4.295 ( -3.517 -0.953 1.717) 4.028 4.392 ( 1.195 2.451 -10.902) 11.238 4.506 ( -3.142 -4.509 -8.955) 10.507 4.597 ( -4.622 0.241 0.515) 4.657 4.652 ( 4.548 0.312 -0.231) 4.565 4.692 ( 0.308 0.591 -0.686) 0.957 4.768 ( 1.751 -0.623 -3.918) 4.337 4.894 ( 0.242 0.555 3.267) 3.323 4.923 ( -0.127 0.654 1.817) 1.935 5.173 ( 1.902 1.331 -0.132) 2.325 5.225 ( 2.017 1.451 -2.991) 3.888 5.858 ( 1.701 1.089 3.646) 4.168 5.996 ( -2.127 1.168 -2.503) 3.486 7.186 ( 3.425 0.588 4.526) 5.706 7.386 ( -0.886 1.627 -5.552) 5.853 8.801 ( 1.459 -0.420 0.491) 1.596 8.869 ( -1.199 -0.327 -2.345) 2.654 10.723 ( -2.784 -0.171 2.980) 4.081 10.737 ( 0.750 -1.017 4.804) 4.968 10.858 ( -1.514 1.833 -0.157) 2.382 10.908 ( 3.487 -0.365 -5.078) 6.171 11.686 ( -4.470 0.989 0.862) 4.659 11.703 ( 0.907 -0.215 -0.409) 1.018 13.928 ( -0.116 0.283 0.555) 0.634 13.938 ( 0.923 0.259 0.065) 0.961 ======================= Grid point 183 (93/116) ======================= q-point: (-0.29 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -1.847 9.406 -4.716) 10.683 1.687 ( -2.235 4.202 -2.119) 5.210 1.793 ( 1.703 2.624 -7.245) 7.892 1.810 ( -1.479 7.397 -1.661) 7.724 1.999 ( -2.572 5.722 -1.405) 6.429 2.026 ( -1.973 6.438 -4.420) 8.055 2.115 ( 8.165 9.362 4.763) 13.304 2.242 ( 0.069 4.632 -1.110) 4.763 2.324 ( 6.599 -0.978 -1.133) 6.766 2.398 ( 6.295 -0.087 -2.044) 6.619 2.496 ( -1.610 -11.158 -1.113) 11.329 2.568 ( 0.459 0.028 -1.458) 1.529 2.602 ( 0.314 -0.576 1.700) 1.822 2.702 ( 2.046 1.220 3.718) 4.416 2.841 ( -0.882 -2.073 0.903) 2.427 2.945 ( -2.112 0.912 0.303) 2.320 3.084 ( 0.349 -9.293 0.854) 9.339 3.219 ( 2.288 -7.665 1.494) 8.137 3.335 ( 4.018 4.663 11.686) 13.208 3.411 ( -3.016 -0.665 -3.136) 4.401 3.519 ( -5.322 -0.072 0.473) 5.344 3.594 ( -1.970 -3.503 0.271) 4.028 3.747 ( -1.512 -0.978 4.211) 4.580 3.836 ( -3.793 0.691 6.698) 7.729 3.858 ( 2.815 -1.676 7.165) 7.878 3.918 ( 1.064 0.510 3.063) 3.282 3.991 ( -1.250 -2.104 1.075) 2.673 4.057 ( -3.177 2.152 -7.153) 8.117 4.267 ( 1.448 -2.960 -2.494) 4.133 4.301 ( 1.548 -1.645 -1.434) 2.675 4.375 ( 7.053 -2.265 -4.563) 8.700 4.426 ( -4.034 -4.427 -3.557) 6.966 4.531 ( -1.165 0.682 -1.526) 2.037 4.678 ( 0.098 1.349 -0.429) 1.418 4.686 ( 0.236 0.687 -0.673) 0.990 4.784 ( 3.421 -0.207 -0.845) 3.529 4.914 ( -1.257 1.597 0.784) 2.178 4.922 ( 0.082 0.574 1.913) 1.999 5.178 ( 1.601 2.620 -1.509) 3.421 5.209 ( 2.135 1.542 -3.529) 4.403 5.893 ( -1.248 2.459 1.308) 3.053 5.913 ( -1.655 1.599 -0.650) 2.391 7.263 ( 0.375 1.936 0.117) 1.976 7.287 ( 0.051 1.753 -2.921) 3.407 8.832 ( -0.670 -0.668 -1.684) 1.932 8.839 ( 1.272 -0.757 0.611) 1.601 10.716 ( -2.076 -1.481 1.943) 3.206 10.790 ( -2.184 -0.761 1.796) 2.929 10.800 ( -2.990 -0.812 0.740) 3.186 10.909 ( 3.744 3.445 -2.786) 5.801 11.613 ( -4.312 0.879 1.515) 4.654 11.739 ( 2.257 0.263 1.469) 2.706 13.921 ( -0.820 0.331 -0.017) 0.885 13.942 ( 0.139 0.590 -0.323) 0.687 ======================= Grid point 184 (94/116) ======================= q-point: (-0.14 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 1.171 5.466 -0.653) 5.628 1.577 ( -7.548 -0.204 3.927) 8.511 1.774 ( 4.532 8.876 7.237) 12.317 1.840 ( -3.186 10.133 -1.270) 10.697 1.877 ( 3.515 3.615 2.156) 5.484 1.970 ( 3.066 0.566 -2.494) 3.993 2.104 ( -6.512 4.898 -1.192) 8.235 2.231 ( 8.697 10.543 3.884) 14.208 2.342 ( -0.002 1.847 -1.750) 2.544 2.451 ( 9.733 7.117 -2.271) 12.270 2.543 ( 2.657 -3.054 -1.980) 4.506 2.621 ( 7.446 -1.649 0.149) 7.628 2.659 ( -2.103 -10.054 1.240) 10.346 2.820 ( 1.361 -3.231 1.118) 3.680 2.870 ( -3.214 4.553 3.370) 6.513 2.887 ( 3.833 -3.145 -2.024) 5.356 3.161 ( -1.840 -6.083 -2.584) 6.861 3.295 ( -9.169 -7.355 -0.337) 11.759 3.317 ( 3.980 -6.647 -1.314) 7.858 3.372 ( -6.858 -5.371 -2.426) 9.043 3.539 ( 1.427 1.617 7.646) 7.945 3.593 ( -1.276 -2.267 -5.063) 5.692 3.658 ( -3.566 4.050 -1.091) 5.505 3.813 ( 0.782 0.744 -12.316) 12.363 3.869 ( 0.601 -0.083 1.951) 2.044 3.937 ( -2.639 1.684 -0.826) 3.237 4.046 ( 1.245 -1.780 4.485) 4.983 4.081 ( 3.486 -1.970 7.595) 8.586 4.244 ( 3.107 4.249 -4.675) 7.040 4.358 ( -2.496 -2.354 6.463) 7.317 4.391 ( -2.153 -4.134 0.379) 4.677 4.450 ( -0.437 -2.696 2.250) 3.539 4.560 ( 6.946 1.763 -1.996) 7.439 4.665 ( 0.308 0.206 -0.380) 0.531 4.677 ( 0.091 -0.777 0.419) 0.887 4.844 ( 2.843 0.382 1.016) 3.043 4.872 ( -2.320 0.968 0.912) 2.674 4.928 ( -0.105 0.791 0.142) 0.810 5.155 ( 2.188 2.729 -3.870) 5.216 5.193 ( 1.762 1.125 -3.783) 4.322 5.792 ( -4.096 2.119 -2.576) 5.282 5.933 ( 0.647 1.802 3.417) 3.917 7.130 ( -4.176 3.447 -5.718) 7.875 7.346 ( 3.160 0.029 1.658) 3.569 8.806 ( -0.640 -0.882 -1.965) 2.247 8.882 ( 1.531 -0.606 1.479) 2.213 10.698 ( -4.836 -1.170 -1.937) 5.339 10.724 ( -1.045 -0.838 0.585) 1.461 10.812 ( -0.822 -0.354 0.651) 1.107 10.923 ( 1.610 1.995 1.944) 3.217 11.572 ( -2.115 0.825 1.796) 2.895 11.793 ( 1.792 0.277 2.991) 3.498 13.901 ( -0.926 0.261 -0.446) 1.061 13.927 ( -0.522 0.570 -0.749) 1.076 ======================= Grid point 189 (95/116) ======================= q-point: (-0.43 0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -1.057 -0.000 -6.628) 6.712 1.720 ( -6.262 -0.000 -2.407) 6.709 1.779 ( -0.781 -0.000 -9.175) 9.208 1.933 ( 4.607 0.000 -4.647) 6.544 2.065 ( -8.263 -0.000 4.229) 9.282 2.118 ( -2.292 -0.000 -3.716) 4.366 2.220 ( 4.619 0.000 -5.294) 7.026 2.257 ( 2.077 0.000 -0.705) 2.193 2.280 ( 3.756 0.000 2.695) 4.623 2.297 ( 3.477 0.000 2.642) 4.367 2.436 ( 6.952 0.000 2.655) 7.442 2.541 ( 10.377 0.000 4.003) 11.122 2.681 ( 1.250 0.000 -0.790) 1.479 2.730 ( -10.486 -0.000 -0.062) 10.487 2.889 ( 1.266 0.000 0.639) 1.418 2.894 ( 7.426 0.000 -3.119) 8.054 2.967 ( -3.500 -0.000 -2.546) 4.328 3.135 ( 1.430 0.000 7.072) 7.215 3.379 ( -2.139 -0.000 0.420) 2.180 3.407 ( -1.325 -0.000 1.052) 1.692 3.529 ( -3.229 -0.000 3.819) 5.001 3.549 ( -6.551 -0.000 2.457) 6.997 3.734 ( -0.895 -0.000 2.903) 3.038 3.831 ( 3.426 0.000 14.352) 14.755 3.856 ( -1.670 -0.000 5.213) 5.474 3.939 ( 3.157 0.000 2.027) 3.752 3.964 ( -1.914 -0.000 1.294) 2.310 4.085 ( -2.942 -0.000 -4.173) 5.106 4.226 ( -3.544 -0.000 -1.696) 3.929 4.287 ( 7.548 0.000 -6.781) 10.147 4.346 ( 4.020 0.000 -8.862) 9.731 4.389 ( -3.174 -0.000 0.707) 3.252 4.538 ( -0.272 -0.000 -2.348) 2.364 4.691 ( -0.090 -0.000 -0.843) 0.848 4.691 ( -0.099 -0.000 -0.404) 0.416 4.783 ( 4.037 0.000 -0.772) 4.110 4.927 ( 0.028 0.000 2.197) 2.197 4.929 ( -1.032 -0.000 0.330) 1.084 5.202 ( 1.141 0.000 -0.396) 1.208 5.224 ( 1.994 0.000 -4.364) 4.798 5.918 ( 0.662 0.000 3.809) 3.866 5.925 ( -3.988 -0.000 -2.998) 4.989 7.277 ( 2.457 0.000 3.958) 4.659 7.307 ( -2.401 -0.000 -6.664) 7.083 8.826 ( -0.970 -0.000 -2.351) 2.544 8.832 ( 1.665 0.000 1.163) 2.031 10.702 ( -3.056 -0.000 2.575) 3.996 10.778 ( -0.811 -0.000 4.182) 4.260 10.798 ( -4.320 -0.000 -1.199) 4.483 10.941 ( 4.565 0.000 -4.175) 6.186 11.621 ( -4.319 -0.000 1.447) 4.554 11.741 ( 2.038 0.000 1.641) 2.617 13.924 ( -0.913 -0.000 0.021) 0.913 13.947 ( 0.133 0.000 -0.346) 0.370 ======================= Grid point 191 (96/116) ======================= q-point: (-0.29 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -12.052 0.173 5.487) 13.244 1.622 ( 0.491 5.996 -0.608) 6.046 1.790 ( 2.085 -4.877 0.427) 5.320 1.950 ( 3.322 9.173 4.615) 10.792 1.991 ( -1.278 2.338 -3.142) 4.119 2.058 ( 3.266 2.076 0.071) 3.871 2.193 ( -3.706 8.272 -2.259) 9.342 2.318 ( -5.305 -0.145 -0.799) 5.367 2.357 ( 5.677 1.601 1.975) 6.221 2.448 ( 5.387 -5.758 2.189) 8.183 2.484 ( 6.192 -7.659 -0.149) 9.850 2.584 ( 3.294 2.561 -7.482) 8.567 2.669 ( 7.615 6.746 2.725) 10.532 2.780 ( 2.544 -1.397 1.419) 3.230 2.873 ( 1.005 4.110 0.651) 4.281 2.958 ( 0.177 -0.299 2.093) 2.122 3.032 ( 4.096 -6.216 -3.014) 8.031 3.158 ( -16.036 -6.498 -0.786) 17.320 3.229 ( -4.386 -1.023 -0.738) 4.563 3.284 ( -3.264 -4.982 3.093) 6.711 3.545 ( -0.760 -0.521 -0.174) 0.937 3.578 ( 2.372 0.287 -4.086) 4.733 3.703 ( 2.013 1.054 -5.231) 5.703 3.858 ( -2.816 1.349 -7.508) 8.132 3.868 ( -2.101 1.568 -5.906) 6.462 3.987 ( 0.956 2.922 7.261) 7.885 4.045 ( 2.289 -1.317 2.210) 3.444 4.056 ( 1.926 1.564 12.443) 12.688 4.262 ( 3.066 -4.423 4.220) 6.839 4.316 ( 2.707 0.839 -2.152) 3.558 4.332 ( -2.832 -1.084 2.832) 4.149 4.386 ( 0.116 -3.887 0.314) 3.902 4.579 ( 7.363 0.447 -1.720) 7.574 4.667 ( -1.059 0.313 -1.437) 1.812 4.673 ( -1.185 -0.256 -0.655) 1.378 4.852 ( 3.952 0.384 1.429) 4.220 4.894 ( -2.822 1.069 0.083) 3.018 4.936 ( -0.507 0.169 0.360) 0.645 5.194 ( 0.473 1.434 -2.343) 2.787 5.209 ( 2.021 0.516 -4.676) 5.120 5.819 ( -4.991 0.880 -2.759) 5.770 5.957 ( 0.159 0.792 3.527) 3.618 7.179 ( -4.076 1.785 -6.816) 8.140 7.344 ( 1.824 -0.184 2.710) 3.272 8.794 ( -0.512 -0.419 -2.033) 2.138 8.874 ( 1.723 -0.291 1.567) 2.347 10.673 ( -4.087 -0.976 0.778) 4.273 10.726 ( -2.305 0.257 -0.745) 2.436 10.798 ( -1.589 -0.775 2.936) 3.427 10.954 ( 2.004 1.215 -1.928) 3.035 11.585 ( -1.952 0.562 1.690) 2.642 11.794 ( 1.252 -0.051 3.348) 3.575 13.904 ( -1.111 0.119 -0.364) 1.175 13.935 ( -0.665 0.261 -0.848) 1.108 ======================= Grid point 192 (97/116) ======================= q-point: (-0.14 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -12.514 -1.279 16.567) 20.802 1.626 ( 5.335 3.683 1.008) 6.561 1.798 ( -18.012 11.145 4.978) 21.759 1.900 ( -1.005 -3.501 2.428) 4.377 1.991 ( 2.649 3.002 1.284) 4.204 2.047 ( 4.180 2.056 6.951) 8.367 2.124 ( 7.993 6.163 1.043) 10.147 2.301 ( 3.068 -0.403 -3.402) 4.598 2.479 ( 7.869 4.096 3.801) 9.651 2.508 ( -2.344 -2.635 -2.582) 4.371 2.553 ( 1.097 0.643 -6.838) 6.955 2.601 ( 2.335 -3.166 1.310) 4.147 2.752 ( -18.319 -1.367 0.375) 18.374 2.833 ( 9.009 2.033 -0.212) 9.238 2.867 ( 5.945 3.774 5.042) 8.661 2.918 ( 6.155 -7.089 1.051) 9.447 2.956 ( -11.118 -6.839 -3.615) 13.544 3.099 ( 2.199 -1.790 -8.993) 9.429 3.280 ( 0.454 -4.201 0.884) 4.317 3.345 ( 4.453 -2.107 -1.487) 5.146 3.477 ( -2.762 0.121 -9.658) 10.046 3.534 ( 0.095 -0.920 -2.480) 2.647 3.629 ( -1.234 4.273 -6.765) 8.096 3.708 ( -2.612 -3.049 -8.897) 9.761 3.837 ( -0.388 0.984 1.746) 2.042 4.006 ( 1.853 2.500 1.479) 3.446 4.112 ( 3.140 1.555 0.565) 3.549 4.185 ( 0.972 0.505 6.528) 6.619 4.300 ( 2.589 1.884 -1.477) 3.526 4.359 ( -2.681 -0.475 9.381) 9.769 4.404 ( 3.341 -1.573 0.888) 3.798 4.455 ( -0.696 -2.999 8.584) 9.119 4.633 ( 0.417 -0.679 -2.826) 2.936 4.662 ( -0.524 -2.338 -0.003) 2.396 4.679 ( 4.867 -0.473 -0.123) 4.892 4.821 ( -3.555 1.634 -1.064) 4.055 4.910 ( -0.996 0.447 -1.514) 1.866 4.936 ( 2.946 0.591 2.809) 4.113 5.153 ( -0.189 1.199 -3.496) 3.700 5.182 ( 1.672 0.710 -5.300) 5.603 5.718 ( -3.800 0.560 -1.474) 4.115 5.984 ( 0.287 0.939 2.898) 3.059 7.031 ( -4.446 2.057 -4.920) 6.943 7.392 ( 1.370 -0.870 1.123) 1.974 8.777 ( 0.039 -0.555 -1.576) 1.672 8.916 ( 1.337 -0.270 1.342) 1.913 10.611 ( -3.146 -0.210 -1.071) 3.330 10.711 ( -0.335 -0.492 0.387) 0.710 10.799 ( -1.699 -0.299 1.347) 2.188 10.963 ( 0.591 -0.374 1.192) 1.382 11.579 ( 0.069 1.083 1.228) 1.639 11.840 ( -0.393 -0.346 3.761) 3.797 13.886 ( -0.557 0.077 -0.329) 0.652 13.910 ( -0.864 0.223 -1.016) 1.352 ======================= Grid point 198 (98/116) ======================= q-point: (-0.29 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -13.137 -0.000 17.102) 21.565 1.680 ( 2.369 0.000 -0.520) 2.426 1.804 ( 2.346 0.000 2.143) 3.177 1.931 ( -14.256 -0.000 4.064) 14.824 2.052 ( -5.445 -0.000 1.585) 5.671 2.063 ( -0.987 -0.000 4.842) 4.942 2.204 ( 6.179 0.000 3.294) 7.002 2.280 ( 6.230 0.000 -3.884) 7.342 2.438 ( -3.259 -0.000 1.328) 3.519 2.526 ( 5.356 0.000 0.278) 5.363 2.560 ( 2.519 0.000 -8.611) 8.972 2.626 ( 8.484 0.000 3.498) 9.177 2.725 ( -3.915 -0.000 1.662) 4.254 2.775 ( -11.045 -0.000 -0.295) 11.049 2.826 ( -9.968 -0.000 -0.669) 9.990 2.878 ( 5.823 0.000 2.534) 6.350 3.019 ( 6.298 0.000 -5.401) 8.297 3.139 ( 7.731 0.000 4.118) 8.759 3.140 ( 3.128 0.000 -8.978) 9.508 3.337 ( 0.194 0.000 1.719) 1.730 3.493 ( -0.290 -0.000 -8.983) 8.988 3.518 ( -0.287 -0.000 -1.264) 1.296 3.634 ( -0.900 -0.000 -15.616) 15.642 3.725 ( -1.129 -0.000 -1.439) 1.829 3.842 ( -3.793 -0.000 0.960) 3.913 4.036 ( -0.528 -0.000 -0.980) 1.113 4.121 ( 5.360 0.000 2.150) 5.775 4.189 ( 2.071 0.000 5.664) 6.031 4.337 ( 3.246 0.000 -4.522) 5.566 4.358 ( -2.175 -0.000 11.710) 11.910 4.385 ( 3.559 0.000 -0.462) 3.589 4.398 ( 2.084 0.000 12.310) 12.485 4.616 ( -3.005 -0.000 -1.814) 3.510 4.642 ( -1.273 -0.000 -0.911) 1.565 4.681 ( 6.127 0.000 -1.188) 6.241 4.843 ( -3.517 -0.000 -0.590) 3.566 4.910 ( -2.048 -0.000 -1.780) 2.714 4.943 ( 4.114 0.000 2.883) 5.024 5.164 ( -2.032 -0.000 -2.003) 2.853 5.191 ( 2.310 0.000 -6.652) 7.042 5.722 ( -4.390 -0.000 -1.557) 4.658 5.993 ( 0.031 0.000 2.763) 2.763 7.051 ( -4.724 -0.000 -5.708) 7.410 7.383 ( 0.593 0.000 1.623) 1.728 8.772 ( 0.174 0.000 -1.536) 1.546 8.914 ( 1.434 0.000 1.396) 2.001 10.609 ( -3.190 -0.000 0.101) 3.192 10.709 ( -0.330 -0.000 0.463) 0.569 10.794 ( -1.895 -0.000 2.370) 3.035 10.958 ( 0.076 0.000 -0.736) 0.740 11.591 ( 0.311 0.000 1.191) 1.231 11.836 ( -0.828 -0.000 3.994) 4.079 13.886 ( -0.656 -0.000 -0.304) 0.723 13.912 ( -0.992 -0.000 -1.072) 1.461 ======================= Grid point 199 (99/116) ======================= q-point: (-0.14 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -14.720 3.042 18.562) 23.885 1.605 ( -22.297 3.694 12.022) 25.600 1.728 ( 8.198 -1.401 -5.105) 9.759 1.883 ( 2.004 -4.339 0.866) 4.857 2.037 ( -6.186 -0.224 3.175) 6.957 2.116 ( -1.633 -2.982 6.472) 7.311 2.250 ( -17.473 -5.065 7.923) 19.843 2.354 ( 4.818 1.655 -2.063) 5.496 2.365 ( 4.483 0.949 1.426) 4.799 2.449 ( -14.897 -0.833 -2.396) 15.112 2.509 ( 5.196 2.670 -9.825) 11.430 2.622 ( 4.948 -1.267 2.581) 5.723 2.675 ( 1.041 0.037 3.055) 3.228 2.808 ( 6.125 5.767 2.991) 8.928 2.903 ( 2.274 -0.403 -17.531) 17.682 2.986 ( 4.898 -4.743 1.207) 6.925 3.028 ( 7.131 3.178 -4.047) 8.794 3.129 ( 9.197 5.549 3.058) 11.169 3.226 ( -2.547 -2.592 -6.329) 7.298 3.324 ( 0.348 -6.021 -3.253) 6.852 3.417 ( -1.845 -1.434 -9.171) 9.464 3.430 ( -2.164 3.264 0.476) 3.945 3.623 ( 4.654 -1.860 1.070) 5.125 3.700 ( 0.492 5.042 0.260) 5.073 3.773 ( -5.652 -2.701 -0.139) 6.266 4.028 ( 1.938 -1.038 -1.944) 2.934 4.197 ( 4.576 3.660 0.005) 5.860 4.254 ( 0.747 4.563 -1.091) 4.751 4.299 ( -0.231 -1.590 -0.349) 1.644 4.428 ( 0.154 -1.425 3.258) 3.560 4.455 ( 1.476 0.688 2.319) 2.833 4.551 ( 1.107 -1.046 9.203) 9.328 4.574 ( -1.303 -3.090 1.025) 3.506 4.633 ( -0.220 -2.072 1.160) 2.385 4.727 ( 1.646 0.426 -4.079) 4.420 4.772 ( -3.412 1.572 0.386) 3.777 4.846 ( -3.009 -1.087 -2.197) 3.881 5.027 ( 3.748 1.116 1.348) 4.136 5.109 ( -1.842 -0.208 -1.972) 2.707 5.149 ( 0.932 0.477 -6.150) 6.238 5.667 ( -1.651 -0.276 0.253) 1.693 6.012 ( -0.093 0.132 1.263) 1.273 6.943 ( -3.031 0.305 -1.796) 3.536 7.397 ( -0.384 -1.023 0.070) 1.095 8.768 ( 0.839 -0.130 -0.898) 1.236 8.941 ( 0.576 -0.047 0.523) 0.780 10.587 ( -0.051 0.694 1.231) 1.415 10.716 ( 0.561 0.123 0.563) 0.804 10.780 ( -2.313 -0.063 1.409) 2.709 10.966 ( 0.497 -1.983 0.313) 2.068 11.611 ( 1.600 1.002 0.253) 1.905 11.842 ( -3.377 -0.646 3.306) 4.770 13.881 ( 0.186 -0.028 0.072) 0.202 13.889 ( -0.556 -0.048 -0.761) 0.944 ======================= Grid point 206 (100/116) ======================= q-point: (-0.14 -0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -23.317 -0.000 10.297) 25.489 1.408 ( -22.702 -0.000 13.235) 26.278 1.817 ( 12.560 0.000 -7.894) 14.835 1.886 ( -3.612 -0.000 12.259) 12.780 1.949 ( -0.978 -0.000 -3.820) 3.943 1.983 ( -20.801 -0.000 1.231) 20.837 2.073 ( -12.231 -0.000 12.879) 17.762 2.252 ( -1.501 -0.000 -0.244) 1.521 2.413 ( 6.604 0.000 -8.852) 11.044 2.446 ( 5.980 0.000 -14.229) 15.434 2.553 ( 3.623 0.000 -1.488) 3.916 2.728 ( 4.912 0.000 -13.427) 14.297 2.772 ( 6.350 0.000 4.820) 7.972 2.782 ( 4.512 0.000 7.669) 8.898 2.907 ( 2.359 0.000 -5.304) 5.805 3.031 ( -5.981 -0.000 -12.263) 13.644 3.046 ( -0.338 -0.000 5.625) 5.635 3.202 ( 4.563 0.000 3.886) 5.993 3.224 ( -3.924 -0.000 -0.716) 3.988 3.287 ( -1.335 -0.000 4.833) 5.014 3.400 ( 7.598 0.000 -1.307) 7.710 3.433 ( 5.301 0.000 1.809) 5.601 3.625 ( -6.765 -0.000 0.134) 6.766 3.679 ( -0.433 -0.000 -1.730) 1.783 3.788 ( 4.546 0.000 3.069) 5.485 4.050 ( 3.211 0.000 -1.454) 3.525 4.215 ( -2.259 -0.000 -2.840) 3.628 4.301 ( 5.202 0.000 -1.689) 5.470 4.309 ( -1.862 -0.000 0.476) 1.922 4.364 ( -3.192 -0.000 -0.005) 3.192 4.485 ( 2.053 0.000 -1.678) 2.652 4.571 ( -0.006 -0.000 -1.765) 1.765 4.581 ( -2.705 -0.000 -3.440) 4.376 4.684 ( 1.223 0.000 1.352) 1.823 4.687 ( -2.197 -0.000 6.075) 6.460 4.743 ( -0.381 -0.000 3.452) 3.473 4.811 ( -0.749 -0.000 0.385) 0.842 5.055 ( -0.742 -0.000 -1.736) 1.888 5.066 ( -1.455 -0.000 -0.728) 1.627 5.124 ( 2.893 0.000 -5.544) 6.254 5.668 ( 0.707 0.000 1.489) 1.648 6.005 ( -1.129 -0.000 -0.957) 1.480 6.928 ( 1.277 0.000 2.116) 2.471 7.370 ( -1.575 -0.000 -1.248) 2.009 8.781 ( 1.379 0.000 -0.185) 1.391 8.942 ( -0.309 -0.000 -0.552) 0.633 10.637 ( 2.364 0.000 3.573) 4.285 10.738 ( 1.237 0.000 0.581) 1.366 10.754 ( -2.463 -0.000 1.282) 2.777 10.958 ( 0.181 0.000 -1.381) 1.393 11.644 ( 2.184 0.000 -0.747) 2.308 11.792 ( -5.989 -0.000 2.270) 6.405 13.881 ( 0.152 0.000 -0.166) 0.225 13.892 ( 0.731 0.000 0.422) 0.844 ======================= Grid point 207 (101/116) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.800 0.000 -5.408) 5.467 1.249 ( -0.800 -0.000 5.408) 5.467 1.496 ( -0.286 -0.000 -6.583) 6.590 1.496 ( 0.286 0.000 6.583) 6.590 1.904 ( -1.937 -0.000 -0.806) 2.098 1.904 ( 1.937 0.000 0.806) 2.098 2.038 ( -0.353 -0.000 -0.014) 0.354 2.038 ( 0.353 0.000 0.014) 0.354 2.205 ( -14.595 -0.000 0.581) 14.606 2.205 ( 14.595 0.000 -0.581) 14.606 2.642 ( -4.801 -0.000 -1.720) 5.099 2.642 ( 4.801 0.000 1.720) 5.099 2.902 ( -3.457 -0.000 -4.468) 5.649 2.902 ( 3.457 0.000 4.468) 5.649 2.981 ( -5.834 -0.000 0.013) 5.834 2.981 ( 5.834 0.000 -0.013) 5.834 3.193 ( 1.605 0.000 -0.572) 1.704 3.193 ( -1.605 -0.000 0.572) 1.704 3.467 ( 1.434 0.000 -6.867) 7.015 3.467 ( -1.434 -0.000 6.867) 7.015 3.553 ( 3.461 0.000 -4.168) 5.418 3.553 ( -3.461 -0.000 4.168) 5.418 3.784 ( -2.762 -0.000 -8.000) 8.463 3.784 ( 2.762 0.000 8.000) 8.463 3.939 ( -4.795 -0.000 -0.515) 4.823 3.939 ( 4.795 0.000 0.515) 4.823 4.187 ( 2.768 0.000 -11.569) 11.895 4.187 ( -2.768 -0.000 11.569) 11.895 4.212 ( 2.874 0.000 -1.929) 3.462 4.212 ( -2.874 -0.000 1.929) 3.462 4.472 ( 1.762 0.000 -2.213) 2.829 4.472 ( -1.762 -0.000 2.213) 2.829 4.597 ( -2.579 -0.000 -5.898) 6.437 4.597 ( 2.579 0.000 5.898) 6.437 4.740 ( 3.966 0.000 -2.638) 4.763 4.740 ( -3.966 -0.000 2.638) 4.763 4.892 ( 0.052 0.000 -2.270) 2.271 4.892 ( -0.052 -0.000 2.270) 2.271 5.074 ( 1.120 0.000 -1.084) 1.559 5.074 ( -1.120 -0.000 1.084) 1.559 5.824 ( -2.587 -0.000 -3.147) 4.074 5.824 ( 2.587 0.000 3.147) 4.074 7.183 ( -4.569 -0.000 -2.808) 5.363 7.183 ( 4.569 0.000 2.808) 5.363 8.858 ( -1.174 -0.000 -1.586) 1.973 8.858 ( 1.174 0.000 1.586) 1.973 10.759 ( -0.718 -0.000 -0.095) 0.724 10.759 ( 0.718 0.000 0.095) 0.724 10.865 ( -2.530 -0.000 -1.195) 2.798 10.865 ( 2.530 0.000 1.195) 2.798 11.661 ( 4.150 0.000 -1.777) 4.515 11.661 ( -4.150 -0.000 1.777) 4.515 13.913 ( -0.362 -0.000 -0.328) 0.489 13.913 ( 0.362 0.000 0.328) 0.489 ======================= Grid point 209 (102/116) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 10.446 1.778 -6.848) 12.617 1.417 ( 14.032 -11.688 -3.059) 18.516 1.587 ( 10.226 -2.800 4.152) 11.386 1.674 ( 6.921 -6.894 9.286) 13.478 1.895 ( -9.881 -0.377 1.767) 10.045 1.908 ( -7.052 -2.171 9.147) 11.752 1.938 ( -4.225 -0.276 7.499) 8.612 2.051 ( 2.548 -0.734 -0.392) 2.680 2.157 ( 2.054 -1.991 3.135) 4.244 2.392 ( 2.053 0.140 6.875) 7.176 2.585 ( 3.079 2.008 -3.672) 5.196 2.696 ( -1.469 1.126 0.346) 1.883 2.810 ( 1.247 0.784 -2.427) 2.839 2.867 ( -4.918 2.548 -3.820) 6.728 2.929 ( -3.137 0.571 0.558) 3.237 3.036 ( 4.202 8.517 0.149) 9.499 3.205 ( 0.915 -1.418 0.026) 1.688 3.256 ( 5.772 -1.035 -4.860) 7.616 3.320 ( -0.551 -0.421 -14.067) 14.085 3.431 ( -2.375 0.499 -3.129) 3.960 3.548 ( -1.746 0.072 1.574) 2.352 3.571 ( -1.071 -2.360 -0.490) 2.637 3.673 ( -1.276 0.895 -5.238) 5.465 3.855 ( -3.669 4.487 -6.430) 8.657 3.886 ( -0.258 -0.802 -0.036) 0.843 3.983 ( 2.000 -3.664 -0.799) 4.250 4.122 ( -1.150 7.531 1.141) 7.703 4.166 ( -1.794 2.472 7.568) 8.161 4.244 ( -0.832 -0.171 5.794) 5.856 4.278 ( 3.396 -4.776 -0.407) 5.874 4.456 ( -0.621 -0.060 -2.887) 2.954 4.470 ( -1.761 0.711 3.901) 4.339 4.529 ( -1.608 -1.962 -0.412) 2.570 4.663 ( 0.720 -0.100 2.523) 2.626 4.741 ( -0.305 1.013 3.283) 3.449 4.822 ( 4.778 1.241 2.025) 5.335 4.866 ( -0.160 -0.850 -2.918) 3.044 4.911 ( 0.229 0.152 2.042) 2.060 5.068 ( -0.228 -0.637 -0.798) 1.046 5.084 ( 1.575 -1.372 -2.289) 3.099 5.760 ( -2.658 -1.294 -2.508) 3.876 5.900 ( 2.078 -1.128 3.481) 4.208 7.083 ( -4.572 -1.191 -3.589) 5.934 7.279 ( 3.948 -1.043 1.995) 4.545 8.823 ( -1.219 0.374 -1.456) 1.935 8.891 ( 1.134 0.268 1.606) 1.984 10.746 ( -0.124 1.017 -1.073) 1.484 10.770 ( -0.992 -0.378 0.240) 1.088 10.796 ( -2.416 0.053 -2.341) 3.365 10.906 ( 1.023 -0.842 1.620) 2.093 11.628 ( -2.907 0.175 2.269) 3.692 11.729 ( 5.161 -0.877 -0.130) 5.237 13.900 ( -0.753 -0.270 -0.583) 0.990 13.916 ( -0.270 -0.232 -0.231) 0.425 ======================= Grid point 210 (103/116) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 15.204 1.887 -6.477) 16.633 1.686 ( -6.601 -7.705 6.439) 12.017 1.768 ( 2.390 -7.913 6.576) 10.562 1.831 ( 11.137 -3.727 3.810) 12.347 1.945 ( 0.951 -2.727 2.560) 3.859 1.998 ( -3.605 -1.602 15.576) 16.067 2.060 ( 9.775 -8.505 6.314) 14.413 2.118 ( 4.477 -3.546 5.099) 7.657 2.242 ( 2.859 -1.032 2.182) 3.742 2.438 ( 1.733 0.749 -0.809) 2.054 2.601 ( -4.268 5.416 1.614) 7.082 2.607 ( 2.546 -0.244 -1.273) 2.857 2.703 ( -3.351 1.539 -9.301) 10.005 2.859 ( -3.000 -0.137 1.359) 3.296 2.885 ( 3.494 2.896 1.949) 4.939 2.996 ( 3.286 9.595 0.743) 10.169 3.098 ( -1.020 0.135 -18.836) 18.864 3.159 ( -4.061 4.172 -5.318) 7.885 3.335 ( -3.387 -2.560 -1.847) 4.630 3.390 ( 5.416 3.980 -2.590) 7.203 3.467 ( -6.378 -4.310 -2.120) 7.984 3.600 ( -5.024 0.852 -13.196) 14.146 3.638 ( -1.668 3.365 -1.705) 4.125 3.647 ( 2.518 -2.820 2.032) 4.292 3.818 ( -2.293 3.236 -3.221) 5.109 4.041 ( 0.132 -1.359 1.072) 1.736 4.049 ( -0.783 5.909 4.953) 7.749 4.206 ( -0.895 2.660 0.860) 2.936 4.297 ( 1.168 -1.651 9.517) 9.730 4.416 ( 1.558 -3.502 0.914) 3.940 4.437 ( 1.689 -0.867 -0.422) 1.945 4.475 ( 1.134 -0.690 2.825) 3.122 4.554 ( -1.372 -3.718 3.922) 5.576 4.694 ( 1.166 0.878 1.423) 2.038 4.752 ( 0.147 2.101 0.913) 2.295 4.815 ( -0.675 0.199 -3.089) 3.168 4.863 ( 0.122 -1.163 -3.283) 3.485 4.957 ( 1.264 2.770 5.405) 6.204 5.067 ( 0.867 -0.919 -1.484) 1.949 5.100 ( 1.503 -1.850 -2.284) 3.301 5.713 ( -2.198 -1.603 -1.740) 3.229 5.971 ( 1.197 -1.314 3.039) 3.520 6.996 ( -3.400 -1.694 -3.328) 5.050 7.361 ( 2.874 -1.368 1.302) 3.440 8.787 ( -1.032 0.504 -1.113) 1.599 8.921 ( 0.988 0.270 1.348) 1.693 10.671 ( -3.773 2.256 -2.636) 5.126 10.735 ( -0.809 0.735 -0.379) 1.157 10.797 ( 0.966 -0.984 -1.085) 1.755 10.953 ( 0.400 -2.475 2.483) 3.528 11.606 ( -1.943 0.725 1.662) 2.657 11.821 ( 4.357 -1.110 0.778) 4.563 13.886 ( -0.642 -0.344 -0.358) 0.812 13.905 ( -0.677 -0.269 -0.662) 0.985 ======================= Grid point 211 (104/116) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 16.557 5.062 -8.445) 19.264 1.653 ( -13.418 -8.739 8.976) 18.357 1.933 ( 1.603 -6.440 5.929) 8.899 1.959 ( -3.201 -0.548 2.146) 3.893 2.050 ( 8.618 -1.091 1.616) 8.836 2.142 ( -0.746 -3.437 8.915) 9.584 2.174 ( -1.281 -0.586 7.754) 7.881 2.253 ( -2.691 4.736 2.684) 6.073 2.308 ( 1.632 4.322 -9.971) 10.989 2.492 ( 11.988 -5.118 3.261) 13.436 2.573 ( 2.999 -3.405 3.032) 5.457 2.645 ( 2.751 -4.795 -2.443) 6.043 2.665 ( 0.246 -0.915 -0.950) 1.342 2.834 ( -2.688 5.791 -0.457) 6.401 2.855 ( -4.428 5.720 -12.768) 14.674 2.907 ( -2.204 -2.345 -2.038) 3.810 2.956 ( -0.322 0.303 -0.746) 0.867 3.081 ( 5.456 3.709 3.855) 7.641 3.235 ( -3.498 2.332 -8.406) 9.399 3.350 ( -3.982 2.240 0.253) 4.575 3.396 ( -3.472 -1.174 -4.501) 5.805 3.451 ( -3.425 -3.932 0.464) 5.235 3.521 ( -2.692 6.251 0.417) 6.819 3.703 ( 1.348 1.920 -0.667) 2.439 3.830 ( 4.068 -2.437 -0.518) 4.770 4.020 ( -2.100 -0.548 1.002) 2.391 4.098 ( 2.899 1.414 1.058) 3.394 4.178 ( -1.314 0.196 0.121) 1.334 4.368 ( 0.363 0.272 0.679) 0.817 4.421 ( -1.128 0.812 0.266) 1.416 4.472 ( 0.392 -3.045 3.978) 5.025 4.596 ( 3.998 -0.139 2.038) 4.490 4.603 ( -0.911 -3.323 4.443) 5.622 4.691 ( -0.206 2.059 -2.827) 3.504 4.731 ( -0.053 1.002 -0.830) 1.302 4.786 ( -0.289 0.245 0.472) 0.605 4.831 ( -0.399 -0.939 -3.542) 3.686 4.982 ( -0.118 1.793 2.195) 2.836 5.079 ( 0.727 -0.665 -0.586) 1.146 5.115 ( 0.785 -0.844 -0.937) 1.485 5.686 ( -0.910 -0.688 -0.661) 1.319 6.013 ( 0.315 -0.541 1.262) 1.409 6.946 ( -1.235 -0.813 -1.373) 2.018 7.411 ( 1.093 -0.639 0.477) 1.353 8.764 ( -0.414 0.231 -0.429) 0.640 8.941 ( 0.428 0.101 0.557) 0.709 10.589 ( -1.729 0.931 -1.173) 2.287 10.718 ( -0.271 0.417 -0.274) 0.568 10.805 ( 0.352 -0.256 -0.428) 0.611 10.996 ( 0.142 -1.369 1.207) 1.831 11.591 ( -0.733 0.435 0.606) 1.046 11.883 ( 1.678 -0.444 0.415) 1.784 13.881 ( -0.084 -0.164 0.171) 0.251 13.890 ( -0.518 -0.104 -0.628) 0.821 ======================= Grid point 216 (105/116) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 13.446 0.000 -3.111) 13.801 1.578 ( 19.537 0.000 -2.800) 19.736 1.660 ( -11.924 -0.000 6.441) 13.552 1.818 ( 2.811 0.000 7.792) 8.284 1.938 ( 0.470 0.000 2.418) 2.463 1.951 ( 19.977 0.000 4.333) 20.441 1.995 ( -1.095 -0.000 18.210) 18.243 2.084 ( -1.490 -0.000 6.416) 6.586 2.239 ( 3.932 0.000 2.990) 4.940 2.439 ( 1.184 0.000 -0.019) 1.185 2.606 ( 3.832 0.000 -4.678) 6.048 2.636 ( -7.251 -0.000 0.924) 7.309 2.754 ( -7.298 -0.000 1.853) 7.530 2.847 ( -5.819 -0.000 -3.518) 6.800 2.912 ( 9.450 0.000 -0.162) 9.451 3.065 ( -3.740 -0.000 -16.200) 16.626 3.123 ( -0.902 -0.000 -0.161) 0.916 3.235 ( 3.277 0.000 -1.826) 3.751 3.274 ( -3.007 -0.000 -3.507) 4.620 3.406 ( -10.832 -0.000 -2.432) 11.102 3.428 ( 6.748 0.000 -3.737) 7.713 3.603 ( -6.042 -0.000 -17.595) 18.604 3.614 ( 3.471 0.000 1.663) 3.849 3.678 ( 2.927 0.000 -1.954) 3.519 3.855 ( -2.283 -0.000 -3.396) 4.092 4.002 ( -4.611 -0.000 3.443) 5.754 4.182 ( 0.070 0.000 1.678) 1.680 4.223 ( 1.781 0.000 9.484) 9.650 4.255 ( -4.112 -0.000 2.620) 4.876 4.382 ( 3.742 0.000 3.105) 4.863 4.400 ( 2.547 0.000 0.121) 2.549 4.495 ( -1.852 -0.000 0.905) 2.061 4.501 ( -1.126 -0.000 5.210) 5.330 4.701 ( 1.559 0.000 1.627) 2.254 4.770 ( 0.512 0.000 -0.998) 1.122 4.822 ( -0.107 -0.000 -2.349) 2.351 4.849 ( 0.146 0.000 -3.898) 3.901 4.983 ( 0.526 0.000 6.831) 6.852 5.062 ( 1.121 0.000 -1.363) 1.765 5.083 ( 2.355 0.000 -2.646) 3.542 5.698 ( -1.809 -0.000 -1.559) 2.388 5.959 ( 1.546 0.000 3.226) 3.578 6.981 ( -3.040 -0.000 -3.097) 4.340 7.347 ( 3.459 0.000 0.848) 3.561 8.792 ( -1.144 -0.000 -1.221) 1.673 8.923 ( 0.915 0.000 1.257) 1.555 10.699 ( -4.949 -0.000 -1.634) 5.211 10.763 ( 1.104 0.000 0.242) 1.131 10.766 ( 0.902 0.000 -2.608) 2.760 10.922 ( -0.263 -0.000 2.013) 2.030 11.616 ( -1.828 -0.000 2.037) 2.737 11.809 ( 4.837 0.000 0.498) 4.863 13.883 ( -0.513 -0.000 -0.391) 0.645 13.903 ( -0.612 -0.000 -0.604) 0.860 ======================= Grid point 217 (106/116) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -9.378 -3.718 10.566) 14.609 1.697 ( 18.584 9.510 -5.622) 21.619 1.827 ( 1.806 -4.917 4.456) 6.877 1.909 ( 8.301 -6.031 -9.360) 13.888 2.011 ( 1.767 -1.618 10.346) 10.620 2.144 ( 1.980 2.048 13.368) 13.668 2.162 ( -0.627 -0.254 11.249) 11.269 2.283 ( 1.909 0.168 -2.486) 3.139 2.368 ( 14.924 -1.668 3.928) 15.522 2.453 ( -0.237 1.507 -3.614) 3.923 2.528 ( 4.445 -0.053 -6.671) 8.016 2.568 ( -1.482 -3.177 0.629) 3.562 2.676 ( -4.484 3.223 -1.079) 5.627 2.822 ( -3.143 -5.621 4.955) 8.125 2.861 ( 0.833 -0.704 -14.065) 14.107 2.988 ( -1.950 6.565 1.733) 7.064 3.043 ( -3.510 5.713 -1.172) 6.807 3.113 ( -5.611 1.303 -3.786) 6.893 3.271 ( -1.554 -1.429 -0.929) 2.306 3.275 ( -7.983 -3.536 -9.206) 12.688 3.343 ( -1.791 -5.095 -1.199) 5.532 3.461 ( -0.640 3.674 -1.848) 4.163 3.658 ( -1.064 5.666 -1.188) 5.886 3.730 ( 2.068 1.998 -2.166) 3.600 3.787 ( 3.668 -2.876 -1.926) 5.043 3.982 ( -1.690 -2.435 2.599) 3.942 4.161 ( -3.024 4.042 3.138) 5.944 4.217 ( 0.960 3.589 0.091) 3.716 4.336 ( -1.634 -3.244 -0.753) 3.710 4.389 ( 0.061 -4.118 5.845) 7.150 4.437 ( -1.378 0.098 1.198) 1.828 4.549 ( -0.344 -2.218 4.622) 5.138 4.591 ( 5.130 -0.285 4.640) 6.923 4.723 ( 0.354 1.029 -4.477) 4.607 4.737 ( 0.671 0.164 -1.495) 1.647 4.791 ( 0.039 0.056 -4.805) 4.806 4.824 ( 0.452 0.011 -0.203) 0.495 5.011 ( -3.488 1.152 3.938) 5.386 5.078 ( 2.333 0.249 -0.516) 2.403 5.104 ( 2.444 -0.382 -1.425) 2.855 5.675 ( 0.017 -0.398 -0.467) 0.614 6.006 ( 0.798 -0.279 1.872) 2.054 6.938 ( -0.019 -0.216 -0.865) 0.892 7.399 ( 2.345 -0.488 -0.273) 2.411 8.766 ( -0.686 0.045 -0.715) 0.992 8.942 ( 0.322 0.029 0.421) 0.531 10.615 ( -2.517 1.327 -1.139) 3.065 10.740 ( 0.729 2.086 -1.750) 2.819 10.793 ( 0.806 -1.254 -0.200) 1.504 10.949 ( -0.407 -2.751 1.882) 3.357 11.606 ( -0.670 0.874 0.755) 1.335 11.875 ( 2.479 -0.383 0.167) 2.514 13.879 ( 0.147 -0.073 0.190) 0.251 13.888 ( -0.335 -0.043 -0.590) 0.680 ======================= Grid point 218 (107/116) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -7.969 0.751 9.889) 12.722 1.795 ( 12.276 5.763 -10.717) 17.285 1.919 ( 1.483 -5.859 -0.407) 6.057 1.978 ( 10.708 3.128 -6.257) 12.791 2.143 ( -0.847 3.487 1.389) 3.847 2.170 ( -6.332 3.131 -2.490) 7.490 2.194 ( -1.511 0.638 1.567) 2.268 2.200 ( 0.497 2.062 -9.685) 9.915 2.305 ( -1.457 2.010 9.115) 9.447 2.535 ( -3.722 -1.808 -5.006) 6.495 2.595 ( -2.119 -2.130 -4.436) 5.357 2.632 ( -3.492 -2.756 -2.387) 5.049 2.682 ( -2.829 0.542 13.820) 14.117 2.773 ( 10.558 1.305 0.214) 10.640 2.858 ( -5.535 1.258 2.714) 6.292 2.893 ( 5.659 -3.122 1.280) 6.589 2.973 ( 1.419 0.582 -1.430) 2.097 3.022 ( -8.816 -0.332 -10.150) 13.448 3.195 ( 3.264 -2.059 11.880) 12.491 3.305 ( -4.651 -5.115 3.537) 7.765 3.361 ( -1.644 -2.218 -0.160) 2.765 3.424 ( 3.971 0.390 3.590) 5.367 3.570 ( -0.393 3.065 -2.793) 4.165 3.687 ( 0.352 1.283 -2.238) 2.604 3.867 ( 1.170 1.335 -0.670) 1.897 4.011 ( 1.016 -0.552 0.375) 1.215 4.106 ( -3.375 0.974 0.765) 3.596 4.208 ( 0.883 3.136 0.386) 3.281 4.322 ( -3.012 -4.625 -0.450) 5.538 4.398 ( -0.519 -1.395 -0.425) 1.548 4.494 ( 0.507 -0.092 0.694) 0.864 4.594 ( -0.472 -0.483 0.135) 0.689 4.628 ( -0.726 -0.384 -1.962) 2.127 4.681 ( 0.215 0.275 -3.675) 3.692 4.703 ( 0.708 -1.534 -3.752) 4.115 4.787 ( 0.894 0.376 0.618) 1.150 4.851 ( 1.419 1.138 3.352) 3.814 4.963 ( -3.919 -0.392 0.188) 3.943 5.100 ( 0.944 1.531 0.704) 1.931 5.130 ( 1.529 0.812 0.360) 1.768 5.695 ( 2.089 0.362 0.864) 2.290 6.021 ( 0.259 0.347 -0.454) 0.627 6.963 ( 2.595 0.969 2.041) 3.441 7.417 ( 0.508 0.068 -1.357) 1.450 8.759 ( 0.091 -0.312 0.071) 0.333 8.939 ( -0.565 -0.116 -0.730) 0.930 10.592 ( 1.305 0.949 0.758) 1.782 10.725 ( 0.986 1.219 -1.008) 1.864 10.805 ( -0.040 -0.207 0.388) 0.441 10.979 ( -0.486 -2.782 0.045) 2.825 11.598 ( 0.771 1.072 -0.606) 1.453 11.887 ( -0.815 0.041 -0.711) 1.083 13.884 ( 0.375 0.127 -0.193) 0.441 13.892 ( 0.738 0.096 0.729) 1.042 ======================= Grid point 219 (108/116) ======================= q-point: (-0.43 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -7.180 6.997 6.429) 11.910 1.791 ( 4.045 3.174 -11.983) 13.040 1.884 ( 2.079 6.833 -3.891) 8.133 1.929 ( -3.612 6.874 -6.937) 10.412 2.013 ( -1.741 3.859 -7.778) 8.855 2.038 ( -0.596 2.982 -11.867) 12.250 2.130 ( 0.813 -1.617 -5.509) 5.799 2.240 ( 0.507 10.126 3.386) 10.689 2.293 ( -5.478 2.610 2.439) 6.540 2.398 ( -3.825 -0.826 1.720) 4.275 2.543 ( -1.478 -0.900 -1.360) 2.201 2.617 ( -5.875 -0.455 -0.024) 5.892 2.651 ( -2.037 -5.622 3.666) 7.014 2.821 ( -3.348 -2.060 1.501) 4.208 2.850 ( -4.314 -3.244 -2.511) 5.953 2.904 ( 1.820 1.253 -0.790) 2.347 3.016 ( 2.142 -4.666 15.649) 16.470 3.160 ( 6.943 0.276 8.705) 11.138 3.288 ( -1.666 -7.329 2.256) 7.847 3.362 ( 2.547 0.167 -0.367) 2.579 3.455 ( 2.308 -5.392 5.344) 7.935 3.542 ( 0.955 -2.889 9.229) 9.718 3.612 ( 9.284 -3.719 -2.749) 10.372 3.692 ( 1.954 2.883 3.263) 4.772 3.794 ( -3.663 2.165 0.272) 4.264 4.002 ( -0.858 1.414 -3.435) 3.813 4.058 ( -1.634 -0.405 -0.048) 1.684 4.202 ( 0.444 1.571 -0.023) 1.633 4.293 ( -2.516 -2.267 -5.940) 6.838 4.395 ( -1.339 -2.985 -2.095) 3.885 4.463 ( 1.676 1.514 -2.651) 3.483 4.516 ( -6.100 2.519 -0.388) 6.611 4.596 ( 1.266 -0.041 -6.474) 6.597 4.674 ( -0.070 -1.399 -0.957) 1.696 4.709 ( 1.230 -2.353 -2.580) 3.702 4.813 ( -0.574 -0.466 2.719) 2.818 4.881 ( -0.622 0.979 1.705) 2.062 4.918 ( -1.589 -0.940 -0.196) 1.856 5.098 ( 0.020 2.419 1.231) 2.714 5.140 ( 0.349 2.531 1.415) 2.920 5.744 ( 3.098 1.756 2.109) 4.139 5.997 ( -0.428 1.547 -2.536) 3.001 7.033 ( 3.995 2.312 3.934) 6.065 7.385 ( -1.467 1.296 -2.228) 2.966 8.776 ( 0.806 -0.762 0.870) 1.410 8.915 ( -1.160 -0.393 -1.559) 1.983 10.650 ( 3.944 -0.108 2.567) 4.707 10.731 ( 1.387 0.268 -0.180) 1.425 10.805 ( -0.772 0.182 0.915) 1.211 10.971 ( -1.087 -0.631 -2.115) 2.460 11.604 ( 2.163 0.570 -1.374) 2.624 11.838 ( -3.596 0.767 -1.188) 3.864 13.893 ( 0.942 0.411 0.259) 1.060 13.911 ( 0.803 0.361 0.829) 1.209 ======================= Grid point 220 (109/116) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -2.717 9.160 5.574) 11.062 1.600 ( -9.064 9.315 -4.268) 13.680 1.731 ( -4.911 11.335 -3.715) 12.900 1.801 ( -3.533 5.253 -9.652) 11.543 1.912 ( 2.535 2.090 -2.014) 3.854 1.944 ( 6.394 1.927 -6.398) 9.248 2.022 ( -2.151 10.301 -1.407) 10.617 2.087 ( -3.966 4.836 -3.602) 7.218 2.221 ( -1.861 5.352 -0.166) 5.669 2.386 ( -4.578 -0.690 -5.323) 7.055 2.545 ( 0.036 -1.762 3.529) 3.944 2.610 ( 4.702 -8.914 1.340) 10.167 2.786 ( -1.986 -4.051 -1.424) 4.731 2.794 ( -0.756 -6.341 4.505) 7.814 2.867 ( 0.085 -6.206 1.706) 6.436 2.937 ( 2.962 0.505 -0.678) 3.080 3.186 ( 0.935 -1.974 5.571) 5.984 3.278 ( -0.720 -5.022 8.149) 9.599 3.294 ( -4.948 0.855 1.287) 5.184 3.425 ( 2.490 -0.243 4.338) 5.008 3.549 ( 1.245 -0.268 1.138) 1.708 3.606 ( -3.638 -0.406 1.965) 4.155 3.670 ( 2.635 2.139 3.860) 5.140 3.788 ( 6.208 -1.805 1.343) 6.603 3.920 ( 1.312 -7.544 5.400) 9.370 3.932 ( 2.486 3.262 2.998) 5.080 4.085 ( 4.309 -5.071 -3.008) 7.303 4.120 ( -4.182 3.728 -7.720) 9.539 4.215 ( 1.861 -1.228 -6.795) 7.152 4.351 ( -9.446 0.436 1.575) 9.587 4.418 ( -1.254 -2.890 1.662) 3.562 4.479 ( 2.400 0.962 -4.371) 5.078 4.561 ( 1.941 0.603 -2.436) 3.173 4.666 ( 0.016 0.253 -2.055) 2.070 4.713 ( 0.837 -1.723 -2.835) 3.422 4.786 ( -5.447 -2.716 -0.908) 6.154 4.883 ( 0.823 1.230 1.774) 2.310 4.917 ( -0.077 0.890 0.513) 1.030 5.094 ( 0.636 2.438 1.226) 2.802 5.125 ( -0.787 3.137 1.299) 3.486 5.797 ( 2.907 2.723 2.809) 4.874 5.933 ( -1.528 2.501 -3.404) 4.492 7.119 ( 4.367 2.715 4.152) 6.609 7.309 ( -3.048 2.179 -2.772) 4.661 8.811 ( 1.164 -0.924 1.406) 2.046 8.883 ( -1.265 -0.661 -1.768) 2.272 10.737 ( 2.075 0.249 2.258) 3.077 10.766 ( 3.051 -0.697 0.694) 3.206 10.798 ( -0.664 0.153 1.036) 1.240 10.921 ( -1.905 0.451 -2.820) 3.432 11.629 ( 3.209 0.383 -1.421) 3.531 11.750 ( -4.800 1.288 -0.619) 5.008 13.908 ( 0.933 0.596 0.442) 1.192 13.922 ( 0.293 0.536 0.402) 0.731 ======================= Grid point 221 (110/116) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -2.730 9.894 -6.043) 11.911 1.341 ( 2.730 9.894 6.043) 11.911 1.598 ( -0.586 10.426 -5.159) 11.648 1.598 ( 0.586 10.426 5.159) 11.648 1.920 ( -0.069 2.559 -2.891) 3.861 1.920 ( 0.069 2.559 2.891) 3.861 2.022 ( -0.848 -1.138 -2.961) 3.284 2.022 ( 0.848 -1.138 2.961) 3.284 2.224 ( -6.686 1.765 -1.970) 7.190 2.224 ( 6.686 1.765 1.970) 7.190 2.643 ( -5.186 0.074 -2.306) 5.676 2.643 ( 5.186 0.074 2.306) 5.676 2.843 ( -3.043 -7.777 -2.343) 8.674 2.843 ( 3.043 -7.777 2.343) 8.674 2.944 ( -1.394 -2.440 -1.895) 3.390 2.944 ( 1.394 -2.440 1.895) 3.390 3.216 ( 1.679 1.777 -1.207) 2.727 3.216 ( -1.679 1.777 1.207) 2.727 3.431 ( -0.801 -3.713 -7.983) 8.840 3.431 ( 0.801 -3.713 7.983) 8.840 3.564 ( 3.460 1.012 -3.512) 5.033 3.564 ( -3.460 1.012 3.512) 5.033 3.782 ( -1.831 -0.042 -8.364) 8.562 3.782 ( 1.831 -0.042 8.364) 8.562 3.950 ( -3.164 1.242 -5.930) 6.835 3.950 ( 3.164 1.242 5.930) 6.835 4.139 ( -0.342 -4.198 -11.696) 12.432 4.139 ( 0.342 -4.198 11.696) 12.432 4.223 ( -7.412 0.004 1.706) 7.606 4.223 ( 7.412 0.004 -1.706) 7.606 4.456 ( 1.535 -1.615 -3.986) 4.567 4.456 ( -1.535 -1.615 3.986) 4.567 4.609 ( -1.978 0.927 -4.936) 5.397 4.609 ( 1.978 0.927 4.936) 5.397 4.728 ( 3.043 -1.272 -3.205) 4.599 4.728 ( -3.043 -1.272 3.205) 4.599 4.901 ( -0.085 0.982 -1.614) 1.891 4.901 ( 0.085 0.982 1.614) 1.891 5.094 ( 0.745 2.227 -1.138) 2.610 5.094 ( -0.745 2.227 1.138) 2.610 5.846 ( -2.373 2.398 -3.271) 4.699 5.846 ( 2.373 2.398 3.271) 4.699 7.203 ( -4.194 2.115 -3.220) 5.695 7.203 ( 4.194 2.115 3.220) 5.695 8.852 ( -1.208 -0.680 -1.634) 2.142 8.852 ( 1.208 -0.680 1.634) 2.142 10.765 ( -0.567 0.651 -1.025) 1.340 10.765 ( 0.567 0.651 1.025) 1.340 10.859 ( -2.893 -0.612 -2.012) 3.577 10.859 ( 2.893 -0.612 2.012) 3.577 11.669 ( -1.071 0.846 -0.694) 1.531 11.669 ( 1.071 0.846 0.694) 1.531 13.918 ( -0.314 0.507 -0.295) 0.665 13.918 ( 0.314 0.507 0.295) 0.665 ======================= Grid point 225 (111/116) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -1.203 -0.000 10.500) 10.569 1.810 ( 2.353 0.000 -4.568) 5.139 1.874 ( 5.828 0.000 -9.946) 11.528 2.046 ( 18.491 0.000 -4.555) 19.044 2.116 ( -0.600 -0.000 7.897) 7.920 2.197 ( -2.981 -0.000 -8.050) 8.584 2.218 ( -1.258 -0.000 0.357) 1.308 2.258 ( -1.413 -0.000 2.209) 2.622 2.344 ( -5.740 -0.000 0.514) 5.763 2.473 ( -5.108 -0.000 4.081) 6.538 2.554 ( 1.156 0.000 -7.782) 7.867 2.624 ( -1.998 -0.000 9.575) 9.781 2.741 ( -5.474 -0.000 0.632) 5.511 2.748 ( 7.377 0.000 4.532) 8.658 2.842 ( 13.396 0.000 -6.847) 15.045 2.845 ( -6.718 -0.000 -4.333) 7.994 2.988 ( -3.881 -0.000 -6.703) 7.745 3.091 ( -5.174 -0.000 -2.433) 5.718 3.152 ( -1.191 -0.000 4.644) 4.795 3.203 ( 0.952 0.000 12.862) 12.897 3.396 ( -8.235 -0.000 2.071) 8.492 3.413 ( 4.061 0.000 2.253) 4.644 3.583 ( -3.113 -0.000 -5.695) 6.490 3.724 ( -0.685 -0.000 -1.359) 1.522 3.869 ( 5.998 0.000 -1.125) 6.103 4.010 ( 1.948 0.000 1.876) 2.704 4.113 ( -5.808 -0.000 1.567) 6.016 4.249 ( -4.281 -0.000 -0.833) 4.362 4.269 ( 0.516 0.000 1.386) 1.479 4.379 ( -0.650 -0.000 -0.575) 0.868 4.489 ( 1.924 0.000 2.571) 3.211 4.586 ( 1.350 0.000 1.832) 2.276 4.624 ( -1.555 -0.000 -2.189) 2.685 4.676 ( -0.768 -0.000 -8.955) 8.988 4.692 ( 1.073 0.000 -4.434) 4.562 4.795 ( 0.295 0.000 2.914) 2.928 4.861 ( 2.189 0.000 2.654) 3.440 4.962 ( -5.329 -0.000 1.008) 5.424 5.116 ( 1.469 0.000 0.791) 1.669 5.137 ( 2.692 0.000 0.023) 2.692 5.698 ( 2.628 0.000 0.946) 2.793 6.024 ( 0.512 0.000 -0.088) 0.520 6.972 ( 3.120 0.000 2.390) 3.930 7.417 ( 1.260 0.000 -1.761) 2.165 8.756 ( -0.047 -0.000 -0.084) 0.097 8.938 ( -0.628 -0.000 -0.808) 1.023 10.604 ( 0.792 0.000 0.799) 1.125 10.744 ( 1.901 0.000 -3.257) 3.771 10.800 ( -0.096 -0.000 1.210) 1.213 10.944 ( -0.609 -0.000 1.251) 1.391 11.611 ( 0.661 0.000 -0.644) 0.923 11.887 ( -0.427 -0.000 -0.845) 0.947 13.885 ( 0.506 0.000 -0.221) 0.552 13.892 ( 0.833 0.000 0.795) 1.151 ======================= Grid point 226 (112/116) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 1.732 9.978 4.514) 11.087 1.811 ( 7.347 -1.098 -14.298) 16.113 1.878 ( 2.996 -5.855 -6.208) 9.044 2.036 ( -4.604 3.201 -6.689) 8.728 2.060 ( -3.067 2.634 -10.016) 10.801 2.117 ( -1.005 4.504 -5.483) 7.167 2.133 ( -1.763 2.069 3.718) 4.605 2.308 ( 4.180 4.207 0.916) 6.001 2.374 ( -3.852 3.052 9.743) 10.913 2.422 ( -3.758 -0.271 -1.317) 3.992 2.450 ( -1.038 -7.613 -1.419) 7.813 2.532 ( -8.265 -4.329 -4.157) 10.215 2.709 ( -2.582 7.010 -0.014) 7.470 2.785 ( -3.451 -0.805 9.820) 10.440 2.835 ( -5.628 0.084 -3.554) 6.657 2.912 ( -0.688 -1.059 2.814) 3.084 3.013 ( 8.451 0.693 1.842) 8.677 3.113 ( -3.827 -3.502 2.623) 5.813 3.176 ( 9.998 -3.958 3.102) 11.192 3.355 ( 1.484 -0.166 4.335) 4.585 3.386 ( 0.724 -1.944 6.614) 6.931 3.501 ( 0.439 -1.844 9.603) 9.788 3.551 ( 3.901 -2.058 -0.369) 4.426 3.717 ( 1.994 0.547 2.017) 2.888 3.867 ( -2.229 4.018 -2.149) 5.073 4.034 ( 0.787 1.220 -0.846) 1.680 4.049 ( -4.487 -0.577 0.640) 4.569 4.196 ( -2.676 -3.532 -0.491) 4.458 4.263 ( -1.507 1.697 0.611) 2.350 4.383 ( 1.717 0.559 -4.836) 5.162 4.478 ( 1.384 0.707 -5.615) 5.826 4.540 ( -2.888 -2.073 -8.471) 9.187 4.548 ( -4.899 -1.490 -2.559) 5.725 4.655 ( 1.029 -0.545 1.018) 1.547 4.684 ( 3.253 -0.839 -3.624) 4.941 4.810 ( -3.689 0.276 4.161) 5.568 4.899 ( -1.430 0.824 0.742) 1.809 4.916 ( 0.486 0.062 2.120) 2.176 5.133 ( 0.452 1.310 1.125) 1.785 5.174 ( 1.674 1.171 0.698) 2.159 5.766 ( 3.863 0.711 2.368) 4.587 6.017 ( 0.171 0.653 -2.074) 2.181 7.064 ( 4.246 1.107 4.551) 6.322 7.400 ( -0.210 0.431 -2.939) 2.978 8.765 ( 0.647 -0.383 0.681) 1.014 8.909 ( -1.306 -0.195 -1.736) 2.181 10.656 ( 3.680 0.339 2.491) 4.457 10.744 ( 2.536 0.904 -2.647) 3.775 10.806 ( -0.963 -0.050 1.430) 1.725 10.945 ( -1.263 -1.541 -0.130) 1.997 11.617 ( 2.045 0.619 -1.475) 2.596 11.846 ( -3.100 0.193 -1.456) 3.430 13.898 ( 1.191 0.174 0.161) 1.215 13.916 ( 0.888 0.173 0.991) 1.342 ======================= Grid point 227 (113/116) ======================= q-point: (-0.43 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 2.240 12.330 0.582) 12.545 1.738 ( -0.852 5.648 -6.827) 8.902 1.824 ( -2.455 -1.711 -10.302) 10.728 1.873 ( -2.916 5.838 -7.428) 9.887 1.961 ( 0.112 3.857 0.853) 3.952 2.023 ( 6.769 7.234 -3.719) 10.583 2.161 ( -3.759 4.577 -0.938) 5.997 2.234 ( -5.090 6.540 1.990) 8.523 2.330 ( -4.270 5.642 4.334) 8.297 2.344 ( -4.856 -4.585 -2.199) 7.032 2.482 ( -3.346 -2.485 -1.709) 4.504 2.547 ( 3.431 -3.510 2.499) 5.508 2.592 ( -0.364 -3.695 0.775) 3.793 2.769 ( -3.501 -0.468 -1.166) 3.720 2.828 ( 3.729 -0.408 1.613) 4.084 2.933 ( -1.049 -1.792 1.095) 2.348 3.102 ( -0.468 -12.576 -1.448) 12.667 3.196 ( 2.012 2.485 10.426) 10.905 3.313 ( -2.361 0.437 0.826) 2.539 3.399 ( 2.602 -3.609 2.586) 5.146 3.533 ( 4.169 -1.120 6.032) 7.418 3.570 ( -1.104 -2.269 3.921) 4.663 3.722 ( 5.416 1.863 0.999) 5.814 3.787 ( 4.077 0.275 2.317) 4.697 3.825 ( 1.388 -0.884 9.286) 9.430 3.991 ( -1.800 0.692 0.289) 1.950 4.019 ( 1.693 -0.260 -2.496) 3.027 4.162 ( -2.797 -1.119 -8.905) 9.401 4.213 ( -0.951 1.300 -1.221) 2.021 4.289 ( -5.204 -2.562 -2.911) 6.490 4.406 ( -6.482 -0.454 0.420) 6.512 4.459 ( -0.227 -4.514 -10.275) 11.225 4.541 ( 5.778 -1.166 -2.055) 6.243 4.676 ( 0.648 0.623 0.063) 0.901 4.699 ( 1.350 -0.059 -2.223) 2.602 4.751 ( -6.810 -0.974 2.119) 7.198 4.905 ( 0.922 1.138 1.656) 2.211 4.933 ( 0.028 0.825 0.951) 1.259 5.139 ( 0.812 2.372 1.415) 2.879 5.177 ( 0.052 2.491 0.241) 2.503 5.841 ( 3.276 2.039 3.195) 5.010 5.974 ( -0.862 1.943 -3.280) 3.908 7.164 ( 3.941 2.227 4.968) 6.721 7.343 ( -1.766 1.585 -3.706) 4.401 8.795 ( 1.116 -0.821 1.347) 1.932 8.871 ( -1.438 -0.589 -1.977) 2.515 10.749 ( 4.390 0.308 3.164) 5.420 10.757 ( 2.358 0.406 -1.323) 2.734 10.800 ( -1.471 0.051 1.234) 1.921 10.917 ( -2.349 -0.737 -1.990) 3.166 11.640 ( 3.303 0.714 -1.195) 3.584 11.767 ( -4.473 0.652 -1.039) 4.638 13.918 ( 1.179 0.464 0.249) 1.291 13.931 ( 0.292 0.448 0.641) 0.834 ======================= Grid point 228 (114/116) ======================= q-point: (-0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -4.795 11.745 -4.658) 13.515 1.539 ( 4.795 11.745 4.658) 13.515 1.749 ( 0.356 5.296 -0.596) 5.341 1.749 ( -0.356 5.296 0.596) 5.341 1.999 ( -5.070 2.997 -3.872) 7.049 1.999 ( 5.070 2.997 3.872) 7.049 2.062 ( 4.506 9.969 -4.500) 11.829 2.062 ( -4.506 9.969 4.500) 11.829 2.258 ( 0.597 2.697 -3.252) 4.267 2.258 ( -0.597 2.697 3.252) 4.267 2.617 ( -3.379 -8.078 -0.615) 8.778 2.617 ( 3.379 -8.078 0.615) 8.778 2.683 ( -3.901 -4.755 -2.953) 6.823 2.683 ( 3.901 -4.755 2.953) 6.823 2.916 ( -3.827 -1.268 -0.055) 4.032 2.916 ( 3.827 -1.268 0.055) 4.032 3.206 ( -0.753 -4.382 -1.077) 4.575 3.206 ( 0.753 -4.382 1.077) 4.575 3.381 ( -2.823 -0.665 -8.620) 9.095 3.381 ( 2.823 -0.665 8.620) 9.095 3.579 ( 2.611 0.675 -3.138) 4.137 3.579 ( -2.611 0.675 3.138) 4.137 3.791 ( -1.362 1.307 -7.554) 7.787 3.791 ( 1.362 1.307 7.554) 7.787 3.978 ( -2.068 1.776 -8.321) 8.756 3.978 ( 2.068 1.776 8.321) 8.756 4.058 ( -0.501 -4.826 -8.337) 9.647 4.058 ( 0.501 -4.826 8.337) 9.647 4.211 ( 1.475 -1.372 -3.730) 4.239 4.211 ( -1.475 -1.372 3.730) 4.239 4.409 ( 0.768 -3.950 -6.287) 7.465 4.409 ( -0.768 -3.950 6.287) 7.465 4.625 ( -3.169 1.023 -1.550) 3.673 4.625 ( 3.169 1.023 1.550) 3.673 4.707 ( 2.113 -0.921 -3.359) 4.074 4.707 ( -2.113 -0.921 3.359) 4.074 4.921 ( -0.492 1.212 -0.807) 1.537 4.921 ( 0.492 1.212 0.807) 1.537 5.142 ( -0.187 3.041 -1.142) 3.254 5.142 ( 0.187 3.041 1.142) 3.254 5.895 ( -2.091 2.876 -3.489) 4.982 5.895 ( 2.091 2.876 3.489) 4.982 7.246 ( -3.275 2.591 -4.148) 5.886 7.246 ( 3.275 2.591 4.148) 5.886 8.838 ( -1.292 -0.933 -1.745) 2.363 8.838 ( 1.292 -0.933 1.745) 2.363 10.777 ( 1.524 0.553 -2.096) 2.650 10.777 ( -1.524 0.553 2.096) 2.650 10.849 ( -3.460 -0.428 -2.846) 4.500 10.849 ( 3.460 -0.428 2.846) 4.500 11.685 ( -3.310 0.917 -0.317) 3.450 11.685 ( 3.310 0.917 0.317) 3.450 13.928 ( -0.189 0.634 -0.205) 0.693 13.928 ( 0.189 0.634 0.205) 0.693 ======================= Grid point 234 (115/116) ======================= q-point: ( 0.43 -0.57 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 1.960 0.000 -7.093) 7.359 1.753 ( -1.652 -0.000 -5.111) 5.371 1.794 ( 5.316 0.000 -10.872) 12.102 1.926 ( -5.310 -0.000 -4.988) 7.285 2.031 ( 2.986 0.000 3.952) 4.954 2.127 ( 4.560 0.000 -2.246) 5.083 2.176 ( 2.959 0.000 4.179) 5.121 2.212 ( -7.250 -0.000 -1.697) 7.446 2.330 ( -5.768 -0.000 -0.839) 5.829 2.349 ( -3.019 -0.000 -3.561) 4.668 2.450 ( -3.538 -0.000 9.729) 10.352 2.473 ( -5.260 -0.000 0.354) 5.272 2.743 ( -0.418 -0.000 -0.948) 1.037 2.751 ( -2.284 -0.000 -4.048) 4.648 2.828 ( 1.003 0.000 2.585) 2.773 2.903 ( -2.921 -0.000 -0.993) 3.085 2.916 ( 2.927 0.000 2.114) 3.611 3.262 ( -0.672 -0.000 -0.985) 1.192 3.316 ( 0.079 0.000 1.397) 1.399 3.324 ( 3.788 0.000 9.106) 9.863 3.525 ( 6.009 0.000 8.090) 10.078 3.549 ( 1.077 0.000 2.073) 2.336 3.719 ( 10.891 0.000 6.365) 12.614 3.815 ( -4.743 -0.000 1.169) 4.885 3.827 ( 3.163 0.000 6.551) 7.274 3.994 ( -1.134 -0.000 0.841) 1.412 4.017 ( -3.152 -0.000 1.109) 3.342 4.126 ( -1.988 -0.000 -4.289) 4.728 4.233 ( -2.828 -0.000 -4.477) 5.295 4.308 ( -4.074 -0.000 -8.567) 9.487 4.373 ( 0.544 0.000 -11.125) 11.138 4.404 ( -6.969 -0.000 -0.140) 6.970 4.535 ( 6.965 0.000 -1.783) 7.190 4.681 ( 0.841 0.000 0.740) 1.120 4.699 ( 2.056 0.000 -2.155) 2.978 4.747 ( -7.761 -0.000 2.855) 8.269 4.916 ( 0.729 0.000 1.751) 1.896 4.940 ( 0.153 0.000 0.846) 0.860 5.161 ( 0.755 0.000 1.526) 1.703 5.199 ( 0.401 0.000 -0.229) 0.462 5.859 ( 3.457 0.000 3.360) 4.821 5.992 ( -0.576 -0.000 -3.211) 3.262 7.184 ( 3.677 0.000 5.387) 6.522 7.357 ( -1.124 -0.000 -4.132) 4.282 8.787 ( 1.100 0.000 1.322) 1.720 8.866 ( -1.518 -0.000 -2.072) 2.569 10.747 ( 2.864 0.000 3.455) 4.487 10.769 ( 5.016 0.000 -3.910) 6.360 10.800 ( -2.104 -0.000 2.097) 2.971 10.907 ( -2.596 -0.000 -0.498) 2.643 11.647 ( 3.225 0.000 -1.240) 3.455 11.773 ( -4.325 -0.000 -1.159) 4.477 13.922 ( 1.293 0.000 0.165) 1.303 13.936 ( 0.284 0.000 0.749) 0.801 ======================= Grid point 236 (116/116) ======================= q-point: (-0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -2.363 3.374 -1.594) 4.417 1.675 ( 2.363 3.374 1.594) 4.417 1.810 ( -4.205 2.397 0.550) 4.871 1.810 ( 4.205 2.397 -0.550) 4.871 2.078 ( -3.885 6.860 -3.402) 8.587 2.078 ( 3.885 6.860 3.402) 8.587 2.197 ( -6.677 3.471 -1.810) 7.740 2.197 ( 6.677 3.471 1.810) 7.740 2.327 ( -4.751 -0.091 -3.617) 5.972 2.327 ( 4.751 -0.091 3.617) 5.972 2.421 ( -4.070 -6.266 -3.091) 8.086 2.421 ( 4.070 -6.266 3.091) 8.086 2.695 ( -0.712 2.788 -4.291) 5.166 2.695 ( 0.712 2.788 4.291) 5.166 2.884 ( -1.941 -2.730 0.403) 3.374 2.884 ( 1.941 -2.730 -0.403) 3.374 3.103 ( -9.694 -4.876 -2.980) 11.253 3.103 ( 9.694 -4.876 2.980) 11.253 3.394 ( -1.489 0.947 -3.392) 3.824 3.394 ( 1.489 0.947 3.392) 3.824 3.588 ( 0.110 0.392 -2.385) 2.419 3.588 ( -0.110 0.392 2.385) 2.419 3.820 ( -0.859 1.585 -5.942) 6.210 3.820 ( 0.859 1.585 5.942) 6.210 3.965 ( -6.193 -2.712 -6.936) 9.686 3.965 ( 6.193 -2.712 6.936) 9.686 4.036 ( 2.575 1.874 -4.228) 5.294 4.036 ( -2.575 1.874 4.228) 5.294 4.175 ( -0.432 -2.432 -7.132) 7.548 4.175 ( 0.432 -2.432 7.132) 7.548 4.350 ( 2.875 -2.065 -4.092) 5.411 4.350 ( -2.875 -2.065 4.092) 5.411 4.639 ( -7.078 0.429 1.135) 7.181 4.639 ( 7.078 0.429 -1.135) 7.181 4.699 ( 0.850 -0.123 -2.120) 2.287 4.699 ( -0.850 -0.123 2.120) 2.287 4.937 ( -0.443 0.524 -0.711) 0.988 4.937 ( 0.443 0.524 0.711) 0.988 5.182 ( -0.640 1.363 -1.199) 1.925 5.182 ( 0.640 1.363 1.199) 1.925 5.932 ( -1.994 1.237 -3.607) 4.303 5.932 ( 1.994 1.237 3.607) 4.303 7.279 ( -2.473 1.137 -4.897) 5.603 7.279 ( 2.473 1.137 4.897) 5.603 8.825 ( -1.374 -0.446 -1.830) 2.332 8.825 ( 1.374 -0.446 1.830) 2.332 10.782 ( 2.577 0.115 -2.110) 3.333 10.782 ( -2.577 0.115 2.110) 3.333 10.845 ( -3.972 -0.033 -1.684) 4.314 10.845 ( 3.972 -0.033 1.684) 4.314 11.697 ( -4.098 0.364 -0.007) 4.114 11.697 ( 4.098 0.364 0.007) 4.114 13.936 ( 0.003 0.283 -0.095) 0.298 13.936 ( -0.003 0.283 0.095) 0.298 =================== 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 3/21168 10.0 1232.995 1203.777 1190.612 -0.000 19.842 -0.000 3/21168 20.0 172.443 167.701 157.649 -0.000 11.805 -0.000 3/21168 30.0 61.405 57.008 58.641 -0.000 4.805 -0.000 3/21168 40.0 33.520 30.377 33.327 -0.000 2.839 -0.000 3/21168 50.0 22.528 20.128 23.084 -0.000 2.021 -0.000 3/21168 60.0 16.934 14.987 17.729 -0.000 1.579 -0.000 3/21168 70.0 13.599 11.955 14.457 -0.000 1.300 -0.000 3/21168 80.0 11.392 9.966 12.244 -0.000 1.107 -0.000 3/21168 90.0 9.823 8.562 10.642 -0.000 0.965 -0.000 3/21168 100.0 8.648 7.516 9.425 -0.000 0.855 -0.000 3/21168 110.0 7.734 6.707 8.467 -0.000 0.768 -0.000 3/21168 120.0 7.001 6.061 7.691 -0.000 0.698 -0.000 3/21168 130.0 6.399 5.532 7.050 -0.000 0.639 -0.000 3/21168 140.0 5.896 5.092 6.509 -0.000 0.589 -0.000 3/21168 150.0 5.469 4.718 6.048 -0.000 0.547 -0.000 3/21168 160.0 5.101 4.398 5.649 -0.000 0.510 -0.000 3/21168 170.0 4.781 4.119 5.301 -0.000 0.478 -0.000 3/21168 180.0 4.500 3.874 4.994 -0.000 0.449 -0.000 3/21168 190.0 4.251 3.658 4.721 -0.000 0.424 -0.000 3/21168 200.0 4.028 3.465 4.477 -0.000 0.402 -0.000 3/21168 210.0 3.828 3.292 4.257 -0.000 0.381 -0.000 3/21168 220.0 3.648 3.136 4.058 -0.000 0.363 -0.000 3/21168 230.0 3.484 2.994 3.877 -0.000 0.347 -0.000 3/21168 240.0 3.334 2.865 3.712 -0.000 0.331 -0.000 3/21168 250.0 3.197 2.746 3.561 -0.000 0.318 -0.000 3/21168 260.0 3.071 2.637 3.421 -0.000 0.305 -0.000 3/21168 270.0 2.955 2.537 3.292 -0.000 0.293 -0.000 3/21168 280.0 2.847 2.444 3.173 -0.000 0.282 -0.000 3/21168 290.0 2.747 2.358 3.062 -0.000 0.272 -0.000 3/21168 300.0 2.654 2.277 2.958 -0.000 0.263 -0.000 3/21168 310.0 2.567 2.203 2.862 -0.000 0.254 -0.000 3/21168 320.0 2.485 2.132 2.771 -0.000 0.246 -0.000 3/21168 330.0 2.409 2.067 2.687 -0.000 0.238 -0.000 3/21168 340.0 2.337 2.005 2.607 -0.000 0.231 -0.000 3/21168 350.0 2.270 1.947 2.532 -0.000 0.224 -0.000 3/21168 360.0 2.206 1.892 2.461 -0.000 0.218 -0.000 3/21168 370.0 2.146 1.840 2.394 -0.000 0.212 -0.000 3/21168 380.0 2.089 1.791 2.330 -0.000 0.206 -0.000 3/21168 390.0 2.035 1.745 2.270 -0.000 0.200 -0.000 3/21168 400.0 1.983 1.701 2.213 -0.000 0.195 -0.000 3/21168 410.0 1.935 1.659 2.159 -0.000 0.190 -0.000 3/21168 420.0 1.888 1.619 2.107 -0.000 0.186 -0.000 3/21168 430.0 1.844 1.581 2.058 -0.000 0.181 -0.000 3/21168 440.0 1.802 1.545 2.011 -0.000 0.177 -0.000 3/21168 450.0 1.762 1.510 1.966 -0.000 0.173 -0.000 3/21168 460.0 1.723 1.477 1.923 -0.000 0.169 -0.000 3/21168 470.0 1.686 1.445 1.882 -0.000 0.166 -0.000 3/21168 480.0 1.651 1.415 1.843 -0.000 0.162 -0.000 3/21168 490.0 1.617 1.386 1.805 -0.000 0.159 -0.000 3/21168 500.0 1.585 1.358 1.769 -0.000 0.156 -0.000 3/21168 510.0 1.553 1.331 1.734 -0.000 0.152 -0.000 3/21168 520.0 1.523 1.305 1.701 -0.000 0.149 -0.000 3/21168 530.0 1.495 1.281 1.668 -0.000 0.147 -0.000 3/21168 540.0 1.467 1.257 1.637 -0.000 0.144 -0.000 3/21168 550.0 1.440 1.234 1.608 -0.000 0.141 -0.000 3/21168 560.0 1.414 1.212 1.579 -0.000 0.139 -0.000 3/21168 570.0 1.389 1.190 1.551 -0.000 0.136 -0.000 3/21168 580.0 1.365 1.170 1.524 -0.000 0.134 -0.000 3/21168 590.0 1.342 1.150 1.498 -0.000 0.131 -0.000 3/21168 600.0 1.320 1.131 1.473 -0.000 0.129 -0.000 3/21168 610.0 1.298 1.112 1.449 -0.000 0.127 -0.000 3/21168 620.0 1.277 1.094 1.426 -0.000 0.125 -0.000 3/21168 630.0 1.257 1.077 1.403 -0.000 0.123 -0.000 3/21168 640.0 1.237 1.060 1.381 -0.000 0.121 -0.000 3/21168 650.0 1.218 1.043 1.360 -0.000 0.119 -0.000 3/21168 660.0 1.200 1.028 1.339 -0.000 0.117 -0.000 3/21168 670.0 1.182 1.012 1.319 -0.000 0.116 -0.000 3/21168 680.0 1.164 0.997 1.300 -0.000 0.114 -0.000 3/21168 690.0 1.147 0.983 1.281 -0.000 0.112 -0.000 3/21168 700.0 1.131 0.969 1.263 -0.000 0.111 -0.000 3/21168 710.0 1.115 0.955 1.245 -0.000 0.109 -0.000 3/21168 720.0 1.100 0.942 1.228 -0.000 0.107 -0.000 3/21168 730.0 1.085 0.929 1.211 -0.000 0.106 -0.000 3/21168 740.0 1.070 0.916 1.194 -0.000 0.105 -0.000 3/21168 750.0 1.056 0.904 1.179 -0.000 0.103 -0.000 3/21168 760.0 1.042 0.892 1.163 -0.000 0.102 -0.000 3/21168 770.0 1.028 0.881 1.148 -0.000 0.100 -0.000 3/21168 780.0 1.015 0.869 1.133 -0.000 0.099 -0.000 3/21168 790.0 1.002 0.858 1.119 -0.000 0.098 -0.000 3/21168 800.0 0.990 0.847 1.105 -0.000 0.097 -0.000 3/21168 810.0 0.977 0.837 1.091 -0.000 0.095 -0.000 3/21168 820.0 0.965 0.827 1.078 -0.000 0.094 -0.000 3/21168 830.0 0.954 0.817 1.065 -0.000 0.093 -0.000 3/21168 840.0 0.942 0.807 1.052 -0.000 0.092 -0.000 3/21168 850.0 0.931 0.798 1.040 -0.000 0.091 -0.000 3/21168 860.0 0.921 0.788 1.028 -0.000 0.090 -0.000 3/21168 870.0 0.910 0.779 1.016 -0.000 0.089 -0.000 3/21168 880.0 0.900 0.770 1.004 -0.000 0.088 -0.000 3/21168 890.0 0.889 0.762 0.993 -0.000 0.087 -0.000 3/21168 900.0 0.880 0.753 0.982 -0.000 0.086 -0.000 3/21168 910.0 0.870 0.745 0.971 -0.000 0.085 -0.000 3/21168 920.0 0.860 0.737 0.961 -0.000 0.084 -0.000 3/21168 930.0 0.851 0.729 0.950 -0.000 0.083 -0.000 3/21168 940.0 0.842 0.721 0.940 -0.000 0.082 -0.000 3/21168 950.0 0.833 0.714 0.930 -0.000 0.081 -0.000 3/21168 960.0 0.825 0.706 0.921 -0.000 0.080 -0.000 3/21168 970.0 0.816 0.699 0.911 -0.000 0.080 -0.000 3/21168 980.0 0.808 0.692 0.902 -0.000 0.079 -0.000 3/21168 990.0 0.800 0.685 0.893 -0.000 0.078 -0.000 3/21168 1000.0 0.792 0.678 0.884 -0.000 0.077 -0.000 3/21168 Thermal conductivity related properties were written into "kappa-m778.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:58:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|