----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:14:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.865333130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.446090400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.231675890000000 Atomic positions (fractional): *1 B 0.12227230192722 0.67273584399656 0.55554499567549 10.811 *2 B 0.75106536433204 0.82429299470088 0.02839221967658 10.811 3 B 0.74893463566796 0.17570700529912 0.52839221967658 10.811 4 B 0.37772769807278 0.32726415600344 0.05554499567549 10.811 5 B 0.62227230192722 0.32726415600344 0.05554499567549 10.811 6 B 0.87772769807278 0.67273584399656 0.55554499567549 10.811 7 B 0.24893463566796 0.82429299470088 0.02839221967658 10.811 8 B 0.25106536433204 0.17570700529912 0.52839221967658 10.811 *9 O 0.50000000000000 0.23115797658751 0.94578838911044 15.999 10 O 0.00000000000000 0.76884202341249 0.44578838911044 15.999 *11 O 0.21934108753281 0.87036076478448 0.38253982132796 15.999 12 O 0.28065891246719 0.12963923521551 0.88253982132796 15.999 13 O 0.71934108753281 0.12963923521551 0.88253982132796 15.999 14 O 0.78065891246719 0.87036076478448 0.38253982132796 15.999 *15 O 0.14289179938457 0.35845414822750 0.47729909245624 15.999 16 O 0.35710820061543 0.64154585177250 0.97729909245624 15.999 17 O 0.64289179938457 0.64154585177250 0.97729909245624 15.999 18 O 0.85710820061543 0.35845414822750 0.47729909245624 15.999 *19 O 0.13679001091728 0.72946409283662 0.88826201156332 15.999 20 O 0.36320998908272 0.27053590716338 0.38826201156332 15.999 21 O 0.63679001091728 0.27053590716338 0.38826201156332 15.999 22 O 0.86320998908272 0.72946409283662 0.88826201156332 15.999 *23 Sn 0.50000000000000 0.83037174738682 0.59689531949040 118.710 24 Sn 0.00000000000000 0.16962825261318 0.09689531949040 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.865333130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.446090400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.231675890000000 Atomic positions (fractional): *1 B 0.12227230192722 0.67273584399656 0.55554499567549 10.811 > 1 *2 B 0.75106536433204 0.82429299470088 0.02839221967658 10.811 > 2 3 B 0.74893463566796 0.17570700529912 0.52839221967658 10.811 > 3 4 B 0.37772769807278 0.32726415600344 0.05554499567549 10.811 > 4 5 B 0.62227230192722 0.32726415600344 0.05554499567549 10.811 > 5 6 B 0.87772769807278 0.67273584399656 0.55554499567549 10.811 > 6 7 B 0.24893463566796 0.82429299470088 0.02839221967658 10.811 > 7 8 B 0.25106536433204 0.17570700529912 0.52839221967658 10.811 > 8 *9 O 0.50000000000000 0.23115797658751 0.94578838911044 15.999 > 9 10 O 0.00000000000000 0.76884202341249 0.44578838911044 15.999 > 10 *11 O 0.21934108753281 0.87036076478448 0.38253982132796 15.999 > 11 12 O 0.28065891246719 0.12963923521551 0.88253982132796 15.999 > 12 13 O 0.71934108753281 0.12963923521551 0.88253982132796 15.999 > 13 14 O 0.78065891246719 0.87036076478448 0.38253982132796 15.999 > 14 *15 O 0.14289179938457 0.35845414822750 0.47729909245624 15.999 > 15 16 O 0.35710820061543 0.64154585177250 0.97729909245624 15.999 > 16 17 O 0.64289179938457 0.64154585177250 0.97729909245624 15.999 > 17 18 O 0.85710820061543 0.35845414822750 0.47729909245624 15.999 > 18 *19 O 0.13679001091728 0.72946409283662 0.88826201156332 15.999 > 19 20 O 0.36320998908272 0.27053590716338 0.38826201156332 15.999 > 20 21 O 0.63679001091728 0.27053590716338 0.38826201156332 15.999 > 21 22 O 0.86320998908272 0.72946409283662 0.88826201156332 15.999 > 22 *23 Sn 0.50000000000000 0.83037174738682 0.59689531949040 118.710 > 23 24 Sn 0.00000000000000 0.16962825261318 0.09689531949040 118.710 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.865333130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.892180800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.695027670000000 Atomic positions (fractional): *1 B 0.12227230192722 0.33636792199828 0.18518166522516 10.811 > 1 2 B 0.12227230192722 0.83636792199828 0.18518166522516 10.811 > 1 3 B 0.12227230192722 0.33636792199828 0.51851499855850 10.811 > 1 4 B 0.12227230192722 0.83636792199828 0.51851499855850 10.811 > 1 5 B 0.12227230192722 0.33636792199828 0.85184833189183 10.811 > 1 6 B 0.12227230192722 0.83636792199828 0.85184833189183 10.811 > 1 *7 B 0.75106536433204 0.41214649735044 0.00946407322553 10.811 > 2 8 B 0.75106536433204 0.91214649735044 0.00946407322553 10.811 > 2 9 B 0.75106536433204 0.41214649735044 0.34279740655886 10.811 > 2 10 B 0.75106536433204 0.91214649735044 0.34279740655886 10.811 > 2 11 B 0.75106536433204 0.41214649735044 0.67613073989219 10.811 > 2 12 B 0.75106536433204 0.91214649735044 0.67613073989219 10.811 > 2 13 B 0.74893463566796 0.08785350264956 0.17613073989219 10.811 > 3 14 B 0.74893463566796 0.58785350264956 0.17613073989219 10.811 > 3 15 B 0.74893463566796 0.08785350264956 0.50946407322553 10.811 > 3 16 B 0.74893463566796 0.58785350264956 0.50946407322553 10.811 > 3 17 B 0.74893463566796 0.08785350264956 0.84279740655886 10.811 > 3 18 B 0.74893463566796 0.58785350264956 0.84279740655886 10.811 > 3 19 B 0.37772769807278 0.16363207800172 0.01851499855850 10.811 > 4 20 B 0.37772769807278 0.66363207800172 0.01851499855850 10.811 > 4 21 B 0.37772769807278 0.16363207800172 0.35184833189183 10.811 > 4 22 B 0.37772769807278 0.66363207800172 0.35184833189183 10.811 > 4 23 B 0.37772769807278 0.16363207800172 0.68518166522516 10.811 > 4 24 B 0.37772769807278 0.66363207800172 0.68518166522516 10.811 > 4 25 B 0.62227230192722 0.16363207800172 0.01851499855850 10.811 > 5 26 B 0.62227230192722 0.66363207800172 0.01851499855850 10.811 > 5 27 B 0.62227230192722 0.16363207800172 0.35184833189183 10.811 > 5 28 B 0.62227230192722 0.66363207800172 0.35184833189183 10.811 > 5 29 B 0.62227230192722 0.16363207800172 0.68518166522516 10.811 > 5 30 B 0.62227230192722 0.66363207800172 0.68518166522516 10.811 > 5 31 B 0.87772769807278 0.33636792199828 0.18518166522516 10.811 > 6 32 B 0.87772769807278 0.83636792199828 0.18518166522516 10.811 > 6 33 B 0.87772769807278 0.33636792199828 0.51851499855850 10.811 > 6 34 B 0.87772769807278 0.83636792199828 0.51851499855850 10.811 > 6 35 B 0.87772769807278 0.33636792199828 0.85184833189183 10.811 > 6 36 B 0.87772769807278 0.83636792199828 0.85184833189183 10.811 > 6 37 B 0.24893463566796 0.41214649735044 0.00946407322553 10.811 > 7 38 B 0.24893463566796 0.91214649735044 0.00946407322553 10.811 > 7 39 B 0.24893463566796 0.41214649735044 0.34279740655886 10.811 > 7 40 B 0.24893463566796 0.91214649735044 0.34279740655886 10.811 > 7 41 B 0.24893463566796 0.41214649735044 0.67613073989219 10.811 > 7 42 B 0.24893463566796 0.91214649735044 0.67613073989219 10.811 > 7 43 B 0.25106536433204 0.08785350264956 0.17613073989219 10.811 > 8 44 B 0.25106536433204 0.58785350264956 0.17613073989219 10.811 > 8 45 B 0.25106536433204 0.08785350264956 0.50946407322553 10.811 > 8 46 B 0.25106536433204 0.58785350264956 0.50946407322553 10.811 > 8 47 B 0.25106536433204 0.08785350264956 0.84279740655886 10.811 > 8 48 B 0.25106536433204 0.58785350264956 0.84279740655886 10.811 > 8 *49 O 0.50000000000000 0.11557898829376 0.31526279637015 15.999 > 9 50 O 0.50000000000000 0.61557898829376 0.31526279637015 15.999 > 9 51 O 0.50000000000000 0.11557898829376 0.64859612970348 15.999 > 9 52 O 0.50000000000000 0.61557898829376 0.64859612970348 15.999 > 9 53 O 0.50000000000000 0.11557898829376 0.98192946303681 15.999 > 9 54 O 0.50000000000000 0.61557898829376 0.98192946303681 15.999 > 9 55 O 0.00000000000000 0.38442101170624 0.14859612970348 15.999 > 10 56 O 0.00000000000000 0.88442101170624 0.14859612970348 15.999 > 10 57 O 0.00000000000000 0.38442101170624 0.48192946303681 15.999 > 10 58 O 0.00000000000000 0.88442101170624 0.48192946303681 15.999 > 10 59 O 0.00000000000000 0.38442101170624 0.81526279637015 15.999 > 10 60 O 0.00000000000000 0.88442101170624 0.81526279637015 15.999 > 10 *61 O 0.21934108753281 0.43518038239224 0.12751327377599 15.999 > 11 62 O 0.21934108753281 0.93518038239224 0.12751327377599 15.999 > 11 63 O 0.21934108753281 0.43518038239224 0.46084660710932 15.999 > 11 64 O 0.21934108753281 0.93518038239224 0.46084660710932 15.999 > 11 65 O 0.21934108753281 0.43518038239224 0.79417994044265 15.999 > 11 66 O 0.21934108753281 0.93518038239224 0.79417994044265 15.999 > 11 67 O 0.28065891246719 0.06481961760776 0.29417994044265 15.999 > 12 68 O 0.28065891246719 0.56481961760776 0.29417994044265 15.999 > 12 69 O 0.28065891246719 0.06481961760776 0.62751327377599 15.999 > 12 70 O 0.28065891246719 0.56481961760776 0.62751327377599 15.999 > 12 71 O 0.28065891246719 0.06481961760776 0.96084660710932 15.999 > 12 72 O 0.28065891246719 0.56481961760776 0.96084660710932 15.999 > 12 73 O 0.71934108753281 0.06481961760776 0.29417994044265 15.999 > 13 74 O 0.71934108753281 0.56481961760776 0.29417994044265 15.999 > 13 75 O 0.71934108753281 0.06481961760776 0.62751327377599 15.999 > 13 76 O 0.71934108753281 0.56481961760776 0.62751327377599 15.999 > 13 77 O 0.71934108753281 0.06481961760776 0.96084660710932 15.999 > 13 78 O 0.71934108753281 0.56481961760776 0.96084660710932 15.999 > 13 79 O 0.78065891246719 0.43518038239224 0.12751327377599 15.999 > 14 80 O 0.78065891246719 0.93518038239224 0.12751327377599 15.999 > 14 81 O 0.78065891246719 0.43518038239224 0.46084660710932 15.999 > 14 82 O 0.78065891246719 0.93518038239224 0.46084660710932 15.999 > 14 83 O 0.78065891246719 0.43518038239224 0.79417994044265 15.999 > 14 84 O 0.78065891246719 0.93518038239224 0.79417994044265 15.999 > 14 *85 O 0.14289179938457 0.17922707411375 0.15909969748541 15.999 > 15 86 O 0.14289179938457 0.67922707411375 0.15909969748541 15.999 > 15 87 O 0.14289179938457 0.17922707411375 0.49243303081875 15.999 > 15 88 O 0.14289179938457 0.67922707411375 0.49243303081875 15.999 > 15 89 O 0.14289179938457 0.17922707411375 0.82576636415208 15.999 > 15 90 O 0.14289179938457 0.67922707411375 0.82576636415208 15.999 > 15 91 O 0.35710820061543 0.32077292588625 0.32576636415208 15.999 > 16 92 O 0.35710820061543 0.82077292588625 0.32576636415208 15.999 > 16 93 O 0.35710820061543 0.32077292588625 0.65909969748541 15.999 > 16 94 O 0.35710820061543 0.82077292588625 0.65909969748541 15.999 > 16 95 O 0.35710820061543 0.32077292588625 0.99243303081875 15.999 > 16 96 O 0.35710820061543 0.82077292588625 0.99243303081875 15.999 > 16 97 O 0.64289179938457 0.32077292588625 0.32576636415208 15.999 > 17 98 O 0.64289179938457 0.82077292588625 0.32576636415208 15.999 > 17 99 O 0.64289179938457 0.32077292588625 0.65909969748541 15.999 > 17 100 O 0.64289179938457 0.82077292588625 0.65909969748541 15.999 > 17 101 O 0.64289179938457 0.32077292588625 0.99243303081875 15.999 > 17 102 O 0.64289179938457 0.82077292588625 0.99243303081875 15.999 > 17 103 O 0.85710820061543 0.17922707411375 0.15909969748541 15.999 > 18 104 O 0.85710820061543 0.67922707411375 0.15909969748541 15.999 > 18 105 O 0.85710820061543 0.17922707411375 0.49243303081875 15.999 > 18 106 O 0.85710820061543 0.67922707411375 0.49243303081875 15.999 > 18 107 O 0.85710820061543 0.17922707411375 0.82576636415208 15.999 > 18 108 O 0.85710820061543 0.67922707411375 0.82576636415208 15.999 > 18 *109 O 0.13679001091728 0.36473204641831 0.29608733718777 15.999 > 19 110 O 0.13679001091728 0.86473204641831 0.29608733718777 15.999 > 19 111 O 0.13679001091728 0.36473204641831 0.62942067052111 15.999 > 19 112 O 0.13679001091728 0.86473204641831 0.62942067052111 15.999 > 19 113 O 0.13679001091728 0.36473204641831 0.96275400385444 15.999 > 19 114 O 0.13679001091728 0.86473204641831 0.96275400385444 15.999 > 19 115 O 0.36320998908272 0.13526795358169 0.12942067052111 15.999 > 20 116 O 0.36320998908272 0.63526795358169 0.12942067052111 15.999 > 20 117 O 0.36320998908272 0.13526795358169 0.46275400385444 15.999 > 20 118 O 0.36320998908272 0.63526795358169 0.46275400385444 15.999 > 20 119 O 0.36320998908272 0.13526795358169 0.79608733718777 15.999 > 20 120 O 0.36320998908272 0.63526795358169 0.79608733718777 15.999 > 20 121 O 0.63679001091728 0.13526795358169 0.12942067052111 15.999 > 21 122 O 0.63679001091728 0.63526795358169 0.12942067052111 15.999 > 21 123 O 0.63679001091728 0.13526795358169 0.46275400385444 15.999 > 21 124 O 0.63679001091728 0.63526795358169 0.46275400385444 15.999 > 21 125 O 0.63679001091728 0.13526795358169 0.79608733718777 15.999 > 21 126 O 0.63679001091728 0.63526795358169 0.79608733718777 15.999 > 21 127 O 0.86320998908272 0.36473204641831 0.29608733718777 15.999 > 22 128 O 0.86320998908272 0.86473204641831 0.29608733718777 15.999 > 22 129 O 0.86320998908272 0.36473204641831 0.62942067052111 15.999 > 22 130 O 0.86320998908272 0.86473204641831 0.62942067052111 15.999 > 22 131 O 0.86320998908272 0.36473204641831 0.96275400385444 15.999 > 22 132 O 0.86320998908272 0.86473204641831 0.96275400385444 15.999 > 22 *133 Sn 0.50000000000000 0.41518587369341 0.19896510649680 118.710 > 23 134 Sn 0.50000000000000 0.91518587369341 0.19896510649680 118.710 > 23 135 Sn 0.50000000000000 0.41518587369341 0.53229843983013 118.710 > 23 136 Sn 0.50000000000000 0.91518587369341 0.53229843983013 118.710 > 23 137 Sn 0.50000000000000 0.41518587369341 0.86563177316347 118.710 > 23 138 Sn 0.50000000000000 0.91518587369341 0.86563177316347 118.710 > 23 139 Sn 0.00000000000000 0.08481412630659 0.03229843983013 118.710 > 24 140 Sn 0.00000000000000 0.58481412630659 0.03229843983013 118.710 > 24 141 Sn 0.00000000000000 0.08481412630659 0.36563177316347 118.710 > 24 142 Sn 0.00000000000000 0.58481412630659 0.36563177316347 118.710 > 24 143 Sn 0.00000000000000 0.08481412630659 0.69896510649680 118.710 > 24 144 Sn 0.00000000000000 0.58481412630659 0.69896510649680 118.710 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0453502 0.0000000 0.0000000 0.0000000 4.0213498 0.0000000 0.0000000 0.0000000 3.9707573 -------------------------- Born effective charges -------------------------- 1 B 2.3881799 0.1865433 -0.0149717 -0.1470789 2.8204287 0.1893189 0.1299501 0.1050053 2.6575231 2 B 3.1252698 0.2291349 0.0344817 0.2216578 2.1605913 0.0758529 0.1445379 0.1287236 2.4254433 3 B 3.1252698 0.2291349 -0.0344817 0.2216578 2.1605913 -0.0758529 -0.1445379 -0.1287236 2.4254433 4 B 2.3881799 0.1865433 0.0149717 -0.1470789 2.8204287 -0.1893189 -0.1299501 -0.1050053 2.6575231 5 B 2.3881799 -0.1865433 -0.0149717 0.1470789 2.8204287 -0.1893189 0.1299501 -0.1050053 2.6575231 6 B 2.3881799 -0.1865433 0.0149717 0.1470789 2.8204287 0.1893189 -0.1299501 0.1050053 2.6575231 7 B 3.1252698 -0.2291349 -0.0344817 -0.2216578 2.1605913 0.0758529 -0.1445379 0.1287236 2.4254433 8 B 3.1252698 -0.2291349 0.0344817 -0.2216578 2.1605913 -0.0758529 0.1445379 -0.1287236 2.4254433 9 O -2.3164470 0.0000000 0.0000000 0.0000000 -1.9269386 -0.4893460 0.0000000 -0.4880056 -1.6918689 10 O -2.3164470 0.0000000 0.0000000 0.0000000 -1.9269386 0.4893460 0.0000000 0.4880056 -1.6918689 11 O -1.7248334 -0.3625994 0.3262899 -0.3598014 -1.7951034 -0.1456554 0.2690013 -0.1112111 -2.0847737 12 O -1.7248334 -0.3625994 -0.3262899 -0.3598014 -1.7951034 0.1456554 -0.2690013 0.1112111 -2.0847737 13 O -1.7248334 0.3625994 0.3262899 0.3598014 -1.7951034 0.1456554 0.2690013 0.1112111 -2.0847737 14 O -1.7248334 0.3625994 -0.3262899 0.3598014 -1.7951034 -0.1456554 -0.2690013 -0.1112111 -2.0847737 15 O -2.2266991 0.2890878 -0.4420066 0.3743882 -2.3642026 -0.3581161 -0.4699823 -0.2772322 -1.7329325 16 O -2.2266991 0.2890878 0.4420066 0.3743882 -2.3642026 0.3581161 0.4699823 0.2772322 -1.7329325 17 O -2.2266991 -0.2890878 -0.4420066 -0.3743882 -2.3642026 0.3581161 -0.4699823 0.2772322 -1.7329325 18 O -2.2266991 -0.2890878 0.4420066 -0.3743882 -2.3642026 -0.3581161 0.4699823 -0.2772322 -1.7329325 19 O -2.0705295 -0.0219982 -0.3018800 -0.0086140 -1.7614125 -0.4647272 -0.1626961 -0.4420398 -2.1852074 20 O -2.0705295 -0.0219982 0.3018800 -0.0086140 -1.7614125 0.4647272 0.1626961 0.4420398 -2.1852074 21 O -2.0705295 0.0219982 -0.3018800 0.0086140 -1.7614125 0.4647272 -0.1626961 0.4420398 -2.1852074 22 O -2.0705295 0.0219982 0.3018800 0.0086140 -1.7614125 -0.4647272 0.1626961 -0.4420398 -2.1852074 23 Sn 3.3336716 0.0000000 0.0000000 0.0000000 3.8063357 -0.2523148 0.0000000 -0.2873796 3.5317632 24 Sn 3.3336716 0.0000000 0.0000000 0.0000000 3.8063357 0.2523148 0.0000000 0.2873796 3.5317632 ---------------------------------------------------------------------------- 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: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3972 Number of blocks in projector: 3972 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: 888 Use submatrix version of eigh solver. (1) Block: 500 / 888 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 888 / 888 (1) 375 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 331 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 331 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 468 Use standard eigh solver. Tree of FC basis block matrices: - (3972, 3917), data: False |-- (468, 461), data: True |-- (468, 461), data: True |-- (468, 461), data: True |-- (840, 830), data: False |-- (840, 9), data: (840, 19) @ (19, 9) |-- (340, 331), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (840, 830), data: False |-- (840, 9), data: (840, 19) @ (19, 9) |-- (340, 331), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (888, 874), data: False |-- (888, 13), data: (888, 27) @ (27, 13) |-- (388, 375), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 236), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.465 Solver_block: 200 / 720 - Time: 1.200 Solver_block: 300 / 720 - Time: 1.186 Solver_block: 400 / 720 - Time: 1.185 Solver_block: 500 / 720 - Time: 1.213 Solver_block: 600 / 720 - Time: 1.211 Solver_block: 700 / 720 - Time: 1.184 Solver_block: 720 / 720 - Time: 0.356 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.239 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yz) 0.00000000 (yz) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3972 Number of blocks in projector: 3972 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: 888 Use submatrix version of eigh solver. (1) Block: 500 / 888 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 888 / 888 (1) 375 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 331 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 331 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 468 Use standard eigh solver. Tree of FC basis block matrices: - (3972, 3917), data: False |-- (468, 461), data: True |-- (468, 461), data: True |-- (468, 461), data: True |-- (840, 830), data: False |-- (840, 9), data: (840, 19) @ (19, 9) |-- (340, 331), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (840, 830), data: False |-- (840, 9), data: (840, 19) @ (19, 9) |-- (340, 331), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (888, 874), data: False |-- (888, 13), data: (888, 27) @ (27, 13) |-- (388, 375), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 236), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yz) 0.00000000 (yz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:14:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:14:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.865333130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.446090400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.231675890000000 Atomic positions (fractional): 1 B 0.12227230192722 0.67273584399656 0.55554499567549 10.811 2 B 0.75106536433204 0.82429299470088 0.02839221967658 10.811 3 B 0.74893463566796 0.17570700529912 0.52839221967658 10.811 4 B 0.37772769807278 0.32726415600344 0.05554499567549 10.811 5 B 0.62227230192722 0.32726415600344 0.05554499567549 10.811 6 B 0.87772769807278 0.67273584399656 0.55554499567549 10.811 7 B 0.24893463566796 0.82429299470088 0.02839221967658 10.811 8 B 0.25106536433204 0.17570700529912 0.52839221967658 10.811 9 O 0.50000000000000 0.23115797658751 0.94578838911044 15.999 10 O 0.00000000000000 0.76884202341249 0.44578838911044 15.999 11 O 0.21934108753281 0.87036076478448 0.38253982132796 15.999 12 O 0.28065891246719 0.12963923521551 0.88253982132796 15.999 13 O 0.71934108753281 0.12963923521551 0.88253982132796 15.999 14 O 0.78065891246719 0.87036076478448 0.38253982132796 15.999 15 O 0.14289179938457 0.35845414822750 0.47729909245624 15.999 16 O 0.35710820061543 0.64154585177250 0.97729909245624 15.999 17 O 0.64289179938457 0.64154585177250 0.97729909245624 15.999 18 O 0.85710820061543 0.35845414822750 0.47729909245624 15.999 19 O 0.13679001091728 0.72946409283662 0.88826201156332 15.999 20 O 0.36320998908272 0.27053590716338 0.38826201156332 15.999 21 O 0.63679001091728 0.27053590716338 0.38826201156332 15.999 22 O 0.86320998908272 0.72946409283662 0.88826201156332 15.999 23 Sn 0.50000000000000 0.83037174738682 0.59689531949040 118.710 24 Sn 0.00000000000000 0.16962825261318 0.09689531949040 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.865333130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.892180800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.695027670000000 Atomic positions (fractional): 1 B 0.12227230192722 0.33636792199828 0.18518166522516 10.811 > 1 2 B 0.12227230192722 0.83636792199828 0.18518166522516 10.811 > 1 3 B 0.12227230192722 0.33636792199828 0.51851499855850 10.811 > 1 4 B 0.12227230192722 0.83636792199828 0.51851499855850 10.811 > 1 5 B 0.12227230192722 0.33636792199828 0.85184833189183 10.811 > 1 6 B 0.12227230192722 0.83636792199828 0.85184833189183 10.811 > 1 7 B 0.75106536433204 0.41214649735044 0.00946407322553 10.811 > 7 8 B 0.75106536433204 0.91214649735044 0.00946407322553 10.811 > 7 9 B 0.75106536433204 0.41214649735044 0.34279740655886 10.811 > 7 10 B 0.75106536433204 0.91214649735044 0.34279740655886 10.811 > 7 11 B 0.75106536433204 0.41214649735044 0.67613073989219 10.811 > 7 12 B 0.75106536433204 0.91214649735044 0.67613073989219 10.811 > 7 13 B 0.74893463566796 0.08785350264956 0.17613073989219 10.811 > 13 14 B 0.74893463566796 0.58785350264956 0.17613073989219 10.811 > 13 15 B 0.74893463566796 0.08785350264956 0.50946407322553 10.811 > 13 16 B 0.74893463566796 0.58785350264956 0.50946407322553 10.811 > 13 17 B 0.74893463566796 0.08785350264956 0.84279740655886 10.811 > 13 18 B 0.74893463566796 0.58785350264956 0.84279740655886 10.811 > 13 19 B 0.37772769807278 0.16363207800172 0.01851499855850 10.811 > 19 20 B 0.37772769807278 0.66363207800172 0.01851499855850 10.811 > 19 21 B 0.37772769807278 0.16363207800172 0.35184833189183 10.811 > 19 22 B 0.37772769807278 0.66363207800172 0.35184833189183 10.811 > 19 23 B 0.37772769807278 0.16363207800172 0.68518166522516 10.811 > 19 24 B 0.37772769807278 0.66363207800172 0.68518166522516 10.811 > 19 25 B 0.62227230192722 0.16363207800172 0.01851499855850 10.811 > 25 26 B 0.62227230192722 0.66363207800172 0.01851499855850 10.811 > 25 27 B 0.62227230192722 0.16363207800172 0.35184833189183 10.811 > 25 28 B 0.62227230192722 0.66363207800172 0.35184833189183 10.811 > 25 29 B 0.62227230192722 0.16363207800172 0.68518166522516 10.811 > 25 30 B 0.62227230192722 0.66363207800172 0.68518166522516 10.811 > 25 31 B 0.87772769807278 0.33636792199828 0.18518166522516 10.811 > 31 32 B 0.87772769807278 0.83636792199828 0.18518166522516 10.811 > 31 33 B 0.87772769807278 0.33636792199828 0.51851499855850 10.811 > 31 34 B 0.87772769807278 0.83636792199828 0.51851499855850 10.811 > 31 35 B 0.87772769807278 0.33636792199828 0.85184833189183 10.811 > 31 36 B 0.87772769807278 0.83636792199828 0.85184833189183 10.811 > 31 37 B 0.24893463566796 0.41214649735044 0.00946407322553 10.811 > 37 38 B 0.24893463566796 0.91214649735044 0.00946407322553 10.811 > 37 39 B 0.24893463566796 0.41214649735044 0.34279740655886 10.811 > 37 40 B 0.24893463566796 0.91214649735044 0.34279740655886 10.811 > 37 41 B 0.24893463566796 0.41214649735044 0.67613073989219 10.811 > 37 42 B 0.24893463566796 0.91214649735044 0.67613073989219 10.811 > 37 43 B 0.25106536433204 0.08785350264956 0.17613073989219 10.811 > 43 44 B 0.25106536433204 0.58785350264956 0.17613073989219 10.811 > 43 45 B 0.25106536433204 0.08785350264956 0.50946407322553 10.811 > 43 46 B 0.25106536433204 0.58785350264956 0.50946407322553 10.811 > 43 47 B 0.25106536433204 0.08785350264956 0.84279740655886 10.811 > 43 48 B 0.25106536433204 0.58785350264956 0.84279740655886 10.811 > 43 49 O 0.50000000000000 0.11557898829376 0.31526279637015 15.999 > 49 50 O 0.50000000000000 0.61557898829376 0.31526279637015 15.999 > 49 51 O 0.50000000000000 0.11557898829376 0.64859612970348 15.999 > 49 52 O 0.50000000000000 0.61557898829376 0.64859612970348 15.999 > 49 53 O 0.50000000000000 0.11557898829376 0.98192946303681 15.999 > 49 54 O 0.50000000000000 0.61557898829376 0.98192946303681 15.999 > 49 55 O 0.00000000000000 0.38442101170624 0.14859612970348 15.999 > 55 56 O 0.00000000000000 0.88442101170624 0.14859612970348 15.999 > 55 57 O 0.00000000000000 0.38442101170624 0.48192946303681 15.999 > 55 58 O 0.00000000000000 0.88442101170624 0.48192946303681 15.999 > 55 59 O 0.00000000000000 0.38442101170624 0.81526279637015 15.999 > 55 60 O 0.00000000000000 0.88442101170624 0.81526279637015 15.999 > 55 61 O 0.21934108753281 0.43518038239224 0.12751327377599 15.999 > 61 62 O 0.21934108753281 0.93518038239224 0.12751327377599 15.999 > 61 63 O 0.21934108753281 0.43518038239224 0.46084660710932 15.999 > 61 64 O 0.21934108753281 0.93518038239224 0.46084660710932 15.999 > 61 65 O 0.21934108753281 0.43518038239224 0.79417994044265 15.999 > 61 66 O 0.21934108753281 0.93518038239224 0.79417994044265 15.999 > 61 67 O 0.28065891246719 0.06481961760776 0.29417994044265 15.999 > 67 68 O 0.28065891246719 0.56481961760776 0.29417994044265 15.999 > 67 69 O 0.28065891246719 0.06481961760776 0.62751327377599 15.999 > 67 70 O 0.28065891246719 0.56481961760776 0.62751327377599 15.999 > 67 71 O 0.28065891246719 0.06481961760776 0.96084660710932 15.999 > 67 72 O 0.28065891246719 0.56481961760776 0.96084660710932 15.999 > 67 73 O 0.71934108753281 0.06481961760776 0.29417994044265 15.999 > 73 74 O 0.71934108753281 0.56481961760776 0.29417994044265 15.999 > 73 75 O 0.71934108753281 0.06481961760776 0.62751327377599 15.999 > 73 76 O 0.71934108753281 0.56481961760776 0.62751327377599 15.999 > 73 77 O 0.71934108753281 0.06481961760776 0.96084660710932 15.999 > 73 78 O 0.71934108753281 0.56481961760776 0.96084660710932 15.999 > 73 79 O 0.78065891246719 0.43518038239224 0.12751327377599 15.999 > 79 80 O 0.78065891246719 0.93518038239224 0.12751327377599 15.999 > 79 81 O 0.78065891246719 0.43518038239224 0.46084660710932 15.999 > 79 82 O 0.78065891246719 0.93518038239224 0.46084660710932 15.999 > 79 83 O 0.78065891246719 0.43518038239224 0.79417994044265 15.999 > 79 84 O 0.78065891246719 0.93518038239224 0.79417994044265 15.999 > 79 85 O 0.14289179938457 0.17922707411375 0.15909969748541 15.999 > 85 86 O 0.14289179938457 0.67922707411375 0.15909969748541 15.999 > 85 87 O 0.14289179938457 0.17922707411375 0.49243303081875 15.999 > 85 88 O 0.14289179938457 0.67922707411375 0.49243303081875 15.999 > 85 89 O 0.14289179938457 0.17922707411375 0.82576636415208 15.999 > 85 90 O 0.14289179938457 0.67922707411375 0.82576636415208 15.999 > 85 91 O 0.35710820061543 0.32077292588625 0.32576636415208 15.999 > 91 92 O 0.35710820061543 0.82077292588625 0.32576636415208 15.999 > 91 93 O 0.35710820061543 0.32077292588625 0.65909969748541 15.999 > 91 94 O 0.35710820061543 0.82077292588625 0.65909969748541 15.999 > 91 95 O 0.35710820061543 0.32077292588625 0.99243303081875 15.999 > 91 96 O 0.35710820061543 0.82077292588625 0.99243303081875 15.999 > 91 97 O 0.64289179938457 0.32077292588625 0.32576636415208 15.999 > 97 98 O 0.64289179938457 0.82077292588625 0.32576636415208 15.999 > 97 99 O 0.64289179938457 0.32077292588625 0.65909969748541 15.999 > 97 100 O 0.64289179938457 0.82077292588625 0.65909969748541 15.999 > 97 101 O 0.64289179938457 0.32077292588625 0.99243303081875 15.999 > 97 102 O 0.64289179938457 0.82077292588625 0.99243303081875 15.999 > 97 103 O 0.85710820061543 0.17922707411375 0.15909969748541 15.999 > 103 104 O 0.85710820061543 0.67922707411375 0.15909969748541 15.999 > 103 105 O 0.85710820061543 0.17922707411375 0.49243303081875 15.999 > 103 106 O 0.85710820061543 0.67922707411375 0.49243303081875 15.999 > 103 107 O 0.85710820061543 0.17922707411375 0.82576636415208 15.999 > 103 108 O 0.85710820061543 0.67922707411375 0.82576636415208 15.999 > 103 109 O 0.13679001091728 0.36473204641831 0.29608733718777 15.999 > 109 110 O 0.13679001091728 0.86473204641831 0.29608733718777 15.999 > 109 111 O 0.13679001091728 0.36473204641831 0.62942067052111 15.999 > 109 112 O 0.13679001091728 0.86473204641831 0.62942067052111 15.999 > 109 113 O 0.13679001091728 0.36473204641831 0.96275400385444 15.999 > 109 114 O 0.13679001091728 0.86473204641831 0.96275400385444 15.999 > 109 115 O 0.36320998908272 0.13526795358169 0.12942067052111 15.999 > 115 116 O 0.36320998908272 0.63526795358169 0.12942067052111 15.999 > 115 117 O 0.36320998908272 0.13526795358169 0.46275400385444 15.999 > 115 118 O 0.36320998908272 0.63526795358169 0.46275400385444 15.999 > 115 119 O 0.36320998908272 0.13526795358169 0.79608733718777 15.999 > 115 120 O 0.36320998908272 0.63526795358169 0.79608733718777 15.999 > 115 121 O 0.63679001091728 0.13526795358169 0.12942067052111 15.999 > 121 122 O 0.63679001091728 0.63526795358169 0.12942067052111 15.999 > 121 123 O 0.63679001091728 0.13526795358169 0.46275400385444 15.999 > 121 124 O 0.63679001091728 0.63526795358169 0.46275400385444 15.999 > 121 125 O 0.63679001091728 0.13526795358169 0.79608733718777 15.999 > 121 126 O 0.63679001091728 0.63526795358169 0.79608733718777 15.999 > 121 127 O 0.86320998908272 0.36473204641831 0.29608733718777 15.999 > 127 128 O 0.86320998908272 0.86473204641831 0.29608733718777 15.999 > 127 129 O 0.86320998908272 0.36473204641831 0.62942067052111 15.999 > 127 130 O 0.86320998908272 0.86473204641831 0.62942067052111 15.999 > 127 131 O 0.86320998908272 0.36473204641831 0.96275400385444 15.999 > 127 132 O 0.86320998908272 0.86473204641831 0.96275400385444 15.999 > 127 133 Sn 0.50000000000000 0.41518587369341 0.19896510649680 118.710 > 133 134 Sn 0.50000000000000 0.91518587369341 0.19896510649680 118.710 > 133 135 Sn 0.50000000000000 0.41518587369341 0.53229843983013 118.710 > 133 136 Sn 0.50000000000000 0.91518587369341 0.53229843983013 118.710 > 133 137 Sn 0.50000000000000 0.41518587369341 0.86563177316347 118.710 > 133 138 Sn 0.50000000000000 0.91518587369341 0.86563177316347 118.710 > 133 139 Sn 0.00000000000000 0.08481412630659 0.03229843983013 118.710 > 139 140 Sn 0.00000000000000 0.58481412630659 0.03229843983013 118.710 > 139 141 Sn 0.00000000000000 0.08481412630659 0.36563177316347 118.710 > 139 142 Sn 0.00000000000000 0.58481412630659 0.36563177316347 118.710 > 139 143 Sn 0.00000000000000 0.08481412630659 0.69896510649680 118.710 > 139 144 Sn 0.00000000000000 0.58481412630659 0.69896510649680 118.710 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0453502 0.0000000 0.0000000 0.0000000 4.0213498 0.0000000 0.0000000 0.0000000 3.9707573 -------------------------- Born effective charges -------------------------- 1 B 2.3881799 0.1865433 -0.0149717 -0.1470789 2.8204287 0.1893189 0.1299501 0.1050053 2.6575231 2 B 3.1252698 0.2291349 0.0344817 0.2216578 2.1605913 0.0758529 0.1445379 0.1287236 2.4254433 3 B 3.1252698 0.2291349 -0.0344817 0.2216578 2.1605913 -0.0758529 -0.1445379 -0.1287236 2.4254433 4 B 2.3881799 0.1865433 0.0149717 -0.1470789 2.8204287 -0.1893189 -0.1299501 -0.1050053 2.6575231 5 B 2.3881799 -0.1865433 -0.0149717 0.1470789 2.8204287 -0.1893189 0.1299501 -0.1050053 2.6575231 6 B 2.3881799 -0.1865433 0.0149717 0.1470789 2.8204287 0.1893189 -0.1299501 0.1050053 2.6575231 7 B 3.1252698 -0.2291349 -0.0344817 -0.2216578 2.1605913 0.0758529 -0.1445379 0.1287236 2.4254433 8 B 3.1252698 -0.2291349 0.0344817 -0.2216578 2.1605913 -0.0758529 0.1445379 -0.1287236 2.4254433 9 O -2.3164470 0.0000000 0.0000000 0.0000000 -1.9269386 -0.4893460 0.0000000 -0.4880056 -1.6918689 10 O -2.3164470 0.0000000 0.0000000 0.0000000 -1.9269386 0.4893460 0.0000000 0.4880056 -1.6918689 11 O -1.7248334 -0.3625994 0.3262899 -0.3598014 -1.7951034 -0.1456554 0.2690013 -0.1112111 -2.0847737 12 O -1.7248334 -0.3625994 -0.3262899 -0.3598014 -1.7951034 0.1456554 -0.2690013 0.1112111 -2.0847737 13 O -1.7248334 0.3625994 0.3262899 0.3598014 -1.7951034 0.1456554 0.2690013 0.1112111 -2.0847737 14 O -1.7248334 0.3625994 -0.3262899 0.3598014 -1.7951034 -0.1456554 -0.2690013 -0.1112111 -2.0847737 15 O -2.2266991 0.2890878 -0.4420066 0.3743882 -2.3642026 -0.3581161 -0.4699823 -0.2772322 -1.7329325 16 O -2.2266991 0.2890878 0.4420066 0.3743882 -2.3642026 0.3581161 0.4699823 0.2772322 -1.7329325 17 O -2.2266991 -0.2890878 -0.4420066 -0.3743882 -2.3642026 0.3581161 -0.4699823 0.2772322 -1.7329325 18 O -2.2266991 -0.2890878 0.4420066 -0.3743882 -2.3642026 -0.3581161 0.4699823 -0.2772322 -1.7329325 19 O -2.0705295 -0.0219982 -0.3018800 -0.0086140 -1.7614125 -0.4647272 -0.1626961 -0.4420398 -2.1852074 20 O -2.0705295 -0.0219982 0.3018800 -0.0086140 -1.7614125 0.4647272 0.1626961 0.4420398 -2.1852074 21 O -2.0705295 0.0219982 -0.3018800 0.0086140 -1.7614125 0.4647272 -0.1626961 0.4420398 -2.1852074 22 O -2.0705295 0.0219982 0.3018800 0.0086140 -1.7614125 -0.4647272 0.1626961 -0.4420398 -2.1852074 23 Sn 3.3336716 0.0000000 0.0000000 0.0000000 3.8063357 -0.2523148 0.0000000 -0.2873796 3.5317632 24 Sn 3.3336716 0.0000000 0.0000000 0.0000000 3.8063357 0.2523148 0.0000000 0.2873796 3.5317632 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 133, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:15:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:15:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.865333130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.446090400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.231675890000000 Atomic positions (fractional): 1 B 0.12227230192722 0.67273584399656 0.55554499567549 10.811 2 B 0.75106536433204 0.82429299470088 0.02839221967658 10.811 3 B 0.74893463566796 0.17570700529912 0.52839221967658 10.811 4 B 0.37772769807278 0.32726415600344 0.05554499567549 10.811 5 B 0.62227230192722 0.32726415600344 0.05554499567549 10.811 6 B 0.87772769807278 0.67273584399656 0.55554499567549 10.811 7 B 0.24893463566796 0.82429299470088 0.02839221967658 10.811 8 B 0.25106536433204 0.17570700529912 0.52839221967658 10.811 9 O 0.50000000000000 0.23115797658751 0.94578838911044 15.999 10 O 0.00000000000000 0.76884202341249 0.44578838911044 15.999 11 O 0.21934108753281 0.87036076478448 0.38253982132796 15.999 12 O 0.28065891246719 0.12963923521551 0.88253982132796 15.999 13 O 0.71934108753281 0.12963923521551 0.88253982132796 15.999 14 O 0.78065891246719 0.87036076478448 0.38253982132796 15.999 15 O 0.14289179938457 0.35845414822750 0.47729909245624 15.999 16 O 0.35710820061543 0.64154585177250 0.97729909245624 15.999 17 O 0.64289179938457 0.64154585177250 0.97729909245624 15.999 18 O 0.85710820061543 0.35845414822750 0.47729909245624 15.999 19 O 0.13679001091728 0.72946409283662 0.88826201156332 15.999 20 O 0.36320998908272 0.27053590716338 0.38826201156332 15.999 21 O 0.63679001091728 0.27053590716338 0.38826201156332 15.999 22 O 0.86320998908272 0.72946409283662 0.88826201156332 15.999 23 Sn 0.50000000000000 0.83037174738682 0.59689531949040 118.710 24 Sn 0.00000000000000 0.16962825261318 0.09689531949040 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.865333130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.892180800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.695027670000000 Atomic positions (fractional): 1 B 0.12227230192722 0.33636792199828 0.18518166522516 10.811 > 1 2 B 0.12227230192722 0.83636792199828 0.18518166522516 10.811 > 1 3 B 0.12227230192722 0.33636792199828 0.51851499855850 10.811 > 1 4 B 0.12227230192722 0.83636792199828 0.51851499855850 10.811 > 1 5 B 0.12227230192722 0.33636792199828 0.85184833189183 10.811 > 1 6 B 0.12227230192722 0.83636792199828 0.85184833189183 10.811 > 1 7 B 0.75106536433204 0.41214649735044 0.00946407322553 10.811 > 7 8 B 0.75106536433204 0.91214649735044 0.00946407322553 10.811 > 7 9 B 0.75106536433204 0.41214649735044 0.34279740655886 10.811 > 7 10 B 0.75106536433204 0.91214649735044 0.34279740655886 10.811 > 7 11 B 0.75106536433204 0.41214649735044 0.67613073989219 10.811 > 7 12 B 0.75106536433204 0.91214649735044 0.67613073989219 10.811 > 7 13 B 0.74893463566796 0.08785350264956 0.17613073989219 10.811 > 13 14 B 0.74893463566796 0.58785350264956 0.17613073989219 10.811 > 13 15 B 0.74893463566796 0.08785350264956 0.50946407322553 10.811 > 13 16 B 0.74893463566796 0.58785350264956 0.50946407322553 10.811 > 13 17 B 0.74893463566796 0.08785350264956 0.84279740655886 10.811 > 13 18 B 0.74893463566796 0.58785350264956 0.84279740655886 10.811 > 13 19 B 0.37772769807278 0.16363207800172 0.01851499855850 10.811 > 19 20 B 0.37772769807278 0.66363207800172 0.01851499855850 10.811 > 19 21 B 0.37772769807278 0.16363207800172 0.35184833189183 10.811 > 19 22 B 0.37772769807278 0.66363207800172 0.35184833189183 10.811 > 19 23 B 0.37772769807278 0.16363207800172 0.68518166522516 10.811 > 19 24 B 0.37772769807278 0.66363207800172 0.68518166522516 10.811 > 19 25 B 0.62227230192722 0.16363207800172 0.01851499855850 10.811 > 25 26 B 0.62227230192722 0.66363207800172 0.01851499855850 10.811 > 25 27 B 0.62227230192722 0.16363207800172 0.35184833189183 10.811 > 25 28 B 0.62227230192722 0.66363207800172 0.35184833189183 10.811 > 25 29 B 0.62227230192722 0.16363207800172 0.68518166522516 10.811 > 25 30 B 0.62227230192722 0.66363207800172 0.68518166522516 10.811 > 25 31 B 0.87772769807278 0.33636792199828 0.18518166522516 10.811 > 31 32 B 0.87772769807278 0.83636792199828 0.18518166522516 10.811 > 31 33 B 0.87772769807278 0.33636792199828 0.51851499855850 10.811 > 31 34 B 0.87772769807278 0.83636792199828 0.51851499855850 10.811 > 31 35 B 0.87772769807278 0.33636792199828 0.85184833189183 10.811 > 31 36 B 0.87772769807278 0.83636792199828 0.85184833189183 10.811 > 31 37 B 0.24893463566796 0.41214649735044 0.00946407322553 10.811 > 37 38 B 0.24893463566796 0.91214649735044 0.00946407322553 10.811 > 37 39 B 0.24893463566796 0.41214649735044 0.34279740655886 10.811 > 37 40 B 0.24893463566796 0.91214649735044 0.34279740655886 10.811 > 37 41 B 0.24893463566796 0.41214649735044 0.67613073989219 10.811 > 37 42 B 0.24893463566796 0.91214649735044 0.67613073989219 10.811 > 37 43 B 0.25106536433204 0.08785350264956 0.17613073989219 10.811 > 43 44 B 0.25106536433204 0.58785350264956 0.17613073989219 10.811 > 43 45 B 0.25106536433204 0.08785350264956 0.50946407322553 10.811 > 43 46 B 0.25106536433204 0.58785350264956 0.50946407322553 10.811 > 43 47 B 0.25106536433204 0.08785350264956 0.84279740655886 10.811 > 43 48 B 0.25106536433204 0.58785350264956 0.84279740655886 10.811 > 43 49 O 0.50000000000000 0.11557898829376 0.31526279637015 15.999 > 49 50 O 0.50000000000000 0.61557898829376 0.31526279637015 15.999 > 49 51 O 0.50000000000000 0.11557898829376 0.64859612970348 15.999 > 49 52 O 0.50000000000000 0.61557898829376 0.64859612970348 15.999 > 49 53 O 0.50000000000000 0.11557898829376 0.98192946303681 15.999 > 49 54 O 0.50000000000000 0.61557898829376 0.98192946303681 15.999 > 49 55 O 0.00000000000000 0.38442101170624 0.14859612970348 15.999 > 55 56 O 0.00000000000000 0.88442101170624 0.14859612970348 15.999 > 55 57 O 0.00000000000000 0.38442101170624 0.48192946303681 15.999 > 55 58 O 0.00000000000000 0.88442101170624 0.48192946303681 15.999 > 55 59 O 0.00000000000000 0.38442101170624 0.81526279637015 15.999 > 55 60 O 0.00000000000000 0.88442101170624 0.81526279637015 15.999 > 55 61 O 0.21934108753281 0.43518038239224 0.12751327377599 15.999 > 61 62 O 0.21934108753281 0.93518038239224 0.12751327377599 15.999 > 61 63 O 0.21934108753281 0.43518038239224 0.46084660710932 15.999 > 61 64 O 0.21934108753281 0.93518038239224 0.46084660710932 15.999 > 61 65 O 0.21934108753281 0.43518038239224 0.79417994044265 15.999 > 61 66 O 0.21934108753281 0.93518038239224 0.79417994044265 15.999 > 61 67 O 0.28065891246719 0.06481961760776 0.29417994044265 15.999 > 67 68 O 0.28065891246719 0.56481961760776 0.29417994044265 15.999 > 67 69 O 0.28065891246719 0.06481961760776 0.62751327377599 15.999 > 67 70 O 0.28065891246719 0.56481961760776 0.62751327377599 15.999 > 67 71 O 0.28065891246719 0.06481961760776 0.96084660710932 15.999 > 67 72 O 0.28065891246719 0.56481961760776 0.96084660710932 15.999 > 67 73 O 0.71934108753281 0.06481961760776 0.29417994044265 15.999 > 73 74 O 0.71934108753281 0.56481961760776 0.29417994044265 15.999 > 73 75 O 0.71934108753281 0.06481961760776 0.62751327377599 15.999 > 73 76 O 0.71934108753281 0.56481961760776 0.62751327377599 15.999 > 73 77 O 0.71934108753281 0.06481961760776 0.96084660710932 15.999 > 73 78 O 0.71934108753281 0.56481961760776 0.96084660710932 15.999 > 73 79 O 0.78065891246719 0.43518038239224 0.12751327377599 15.999 > 79 80 O 0.78065891246719 0.93518038239224 0.12751327377599 15.999 > 79 81 O 0.78065891246719 0.43518038239224 0.46084660710932 15.999 > 79 82 O 0.78065891246719 0.93518038239224 0.46084660710932 15.999 > 79 83 O 0.78065891246719 0.43518038239224 0.79417994044265 15.999 > 79 84 O 0.78065891246719 0.93518038239224 0.79417994044265 15.999 > 79 85 O 0.14289179938457 0.17922707411375 0.15909969748541 15.999 > 85 86 O 0.14289179938457 0.67922707411375 0.15909969748541 15.999 > 85 87 O 0.14289179938457 0.17922707411375 0.49243303081875 15.999 > 85 88 O 0.14289179938457 0.67922707411375 0.49243303081875 15.999 > 85 89 O 0.14289179938457 0.17922707411375 0.82576636415208 15.999 > 85 90 O 0.14289179938457 0.67922707411375 0.82576636415208 15.999 > 85 91 O 0.35710820061543 0.32077292588625 0.32576636415208 15.999 > 91 92 O 0.35710820061543 0.82077292588625 0.32576636415208 15.999 > 91 93 O 0.35710820061543 0.32077292588625 0.65909969748541 15.999 > 91 94 O 0.35710820061543 0.82077292588625 0.65909969748541 15.999 > 91 95 O 0.35710820061543 0.32077292588625 0.99243303081875 15.999 > 91 96 O 0.35710820061543 0.82077292588625 0.99243303081875 15.999 > 91 97 O 0.64289179938457 0.32077292588625 0.32576636415208 15.999 > 97 98 O 0.64289179938457 0.82077292588625 0.32576636415208 15.999 > 97 99 O 0.64289179938457 0.32077292588625 0.65909969748541 15.999 > 97 100 O 0.64289179938457 0.82077292588625 0.65909969748541 15.999 > 97 101 O 0.64289179938457 0.32077292588625 0.99243303081875 15.999 > 97 102 O 0.64289179938457 0.82077292588625 0.99243303081875 15.999 > 97 103 O 0.85710820061543 0.17922707411375 0.15909969748541 15.999 > 103 104 O 0.85710820061543 0.67922707411375 0.15909969748541 15.999 > 103 105 O 0.85710820061543 0.17922707411375 0.49243303081875 15.999 > 103 106 O 0.85710820061543 0.67922707411375 0.49243303081875 15.999 > 103 107 O 0.85710820061543 0.17922707411375 0.82576636415208 15.999 > 103 108 O 0.85710820061543 0.67922707411375 0.82576636415208 15.999 > 103 109 O 0.13679001091728 0.36473204641831 0.29608733718777 15.999 > 109 110 O 0.13679001091728 0.86473204641831 0.29608733718777 15.999 > 109 111 O 0.13679001091728 0.36473204641831 0.62942067052111 15.999 > 109 112 O 0.13679001091728 0.86473204641831 0.62942067052111 15.999 > 109 113 O 0.13679001091728 0.36473204641831 0.96275400385444 15.999 > 109 114 O 0.13679001091728 0.86473204641831 0.96275400385444 15.999 > 109 115 O 0.36320998908272 0.13526795358169 0.12942067052111 15.999 > 115 116 O 0.36320998908272 0.63526795358169 0.12942067052111 15.999 > 115 117 O 0.36320998908272 0.13526795358169 0.46275400385444 15.999 > 115 118 O 0.36320998908272 0.63526795358169 0.46275400385444 15.999 > 115 119 O 0.36320998908272 0.13526795358169 0.79608733718777 15.999 > 115 120 O 0.36320998908272 0.63526795358169 0.79608733718777 15.999 > 115 121 O 0.63679001091728 0.13526795358169 0.12942067052111 15.999 > 121 122 O 0.63679001091728 0.63526795358169 0.12942067052111 15.999 > 121 123 O 0.63679001091728 0.13526795358169 0.46275400385444 15.999 > 121 124 O 0.63679001091728 0.63526795358169 0.46275400385444 15.999 > 121 125 O 0.63679001091728 0.13526795358169 0.79608733718777 15.999 > 121 126 O 0.63679001091728 0.63526795358169 0.79608733718777 15.999 > 121 127 O 0.86320998908272 0.36473204641831 0.29608733718777 15.999 > 127 128 O 0.86320998908272 0.86473204641831 0.29608733718777 15.999 > 127 129 O 0.86320998908272 0.36473204641831 0.62942067052111 15.999 > 127 130 O 0.86320998908272 0.86473204641831 0.62942067052111 15.999 > 127 131 O 0.86320998908272 0.36473204641831 0.96275400385444 15.999 > 127 132 O 0.86320998908272 0.86473204641831 0.96275400385444 15.999 > 127 133 Sn 0.50000000000000 0.41518587369341 0.19896510649680 118.710 > 133 134 Sn 0.50000000000000 0.91518587369341 0.19896510649680 118.710 > 133 135 Sn 0.50000000000000 0.41518587369341 0.53229843983013 118.710 > 133 136 Sn 0.50000000000000 0.91518587369341 0.53229843983013 118.710 > 133 137 Sn 0.50000000000000 0.41518587369341 0.86563177316347 118.710 > 133 138 Sn 0.50000000000000 0.91518587369341 0.86563177316347 118.710 > 133 139 Sn 0.00000000000000 0.08481412630659 0.03229843983013 118.710 > 139 140 Sn 0.00000000000000 0.58481412630659 0.03229843983013 118.710 > 139 141 Sn 0.00000000000000 0.08481412630659 0.36563177316347 118.710 > 139 142 Sn 0.00000000000000 0.58481412630659 0.36563177316347 118.710 > 139 143 Sn 0.00000000000000 0.08481412630659 0.69896510649680 118.710 > 139 144 Sn 0.00000000000000 0.58481412630659 0.69896510649680 118.710 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0453502 0.0000000 0.0000000 0.0000000 4.0213498 0.0000000 0.0000000 0.0000000 3.9707573 -------------------------- Born effective charges -------------------------- 1 B 2.3881799 0.1865433 -0.0149717 -0.1470789 2.8204287 0.1893189 0.1299501 0.1050053 2.6575231 2 B 3.1252698 0.2291349 0.0344817 0.2216578 2.1605913 0.0758529 0.1445379 0.1287236 2.4254433 3 B 3.1252698 0.2291349 -0.0344817 0.2216578 2.1605913 -0.0758529 -0.1445379 -0.1287236 2.4254433 4 B 2.3881799 0.1865433 0.0149717 -0.1470789 2.8204287 -0.1893189 -0.1299501 -0.1050053 2.6575231 5 B 2.3881799 -0.1865433 -0.0149717 0.1470789 2.8204287 -0.1893189 0.1299501 -0.1050053 2.6575231 6 B 2.3881799 -0.1865433 0.0149717 0.1470789 2.8204287 0.1893189 -0.1299501 0.1050053 2.6575231 7 B 3.1252698 -0.2291349 -0.0344817 -0.2216578 2.1605913 0.0758529 -0.1445379 0.1287236 2.4254433 8 B 3.1252698 -0.2291349 0.0344817 -0.2216578 2.1605913 -0.0758529 0.1445379 -0.1287236 2.4254433 9 O -2.3164470 0.0000000 0.0000000 0.0000000 -1.9269386 -0.4893460 0.0000000 -0.4880056 -1.6918689 10 O -2.3164470 0.0000000 0.0000000 0.0000000 -1.9269386 0.4893460 0.0000000 0.4880056 -1.6918689 11 O -1.7248334 -0.3625994 0.3262899 -0.3598014 -1.7951034 -0.1456554 0.2690013 -0.1112111 -2.0847737 12 O -1.7248334 -0.3625994 -0.3262899 -0.3598014 -1.7951034 0.1456554 -0.2690013 0.1112111 -2.0847737 13 O -1.7248334 0.3625994 0.3262899 0.3598014 -1.7951034 0.1456554 0.2690013 0.1112111 -2.0847737 14 O -1.7248334 0.3625994 -0.3262899 0.3598014 -1.7951034 -0.1456554 -0.2690013 -0.1112111 -2.0847737 15 O -2.2266991 0.2890878 -0.4420066 0.3743882 -2.3642026 -0.3581161 -0.4699823 -0.2772322 -1.7329325 16 O -2.2266991 0.2890878 0.4420066 0.3743882 -2.3642026 0.3581161 0.4699823 0.2772322 -1.7329325 17 O -2.2266991 -0.2890878 -0.4420066 -0.3743882 -2.3642026 0.3581161 -0.4699823 0.2772322 -1.7329325 18 O -2.2266991 -0.2890878 0.4420066 -0.3743882 -2.3642026 -0.3581161 0.4699823 -0.2772322 -1.7329325 19 O -2.0705295 -0.0219982 -0.3018800 -0.0086140 -1.7614125 -0.4647272 -0.1626961 -0.4420398 -2.1852074 20 O -2.0705295 -0.0219982 0.3018800 -0.0086140 -1.7614125 0.4647272 0.1626961 0.4420398 -2.1852074 21 O -2.0705295 0.0219982 -0.3018800 0.0086140 -1.7614125 0.4647272 -0.1626961 0.4420398 -2.1852074 22 O -2.0705295 0.0219982 0.3018800 0.0086140 -1.7614125 -0.4647272 0.1626961 -0.4420398 -2.1852074 23 Sn 3.3336716 0.0000000 0.0000000 0.0000000 3.8063357 -0.2523148 0.0000000 -0.2873796 3.5317632 24 Sn 3.3336716 0.0000000 0.0000000 0.0000000 3.8063357 0.2523148 0.0000000 0.2873796 3.5317632 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 11 12 ] 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: 0.70, Number of G-points: 289, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/126) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 126 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 1.603 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 -0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 7.139 ( 0.000 0.000 0.000) 0.000 7.623 ( 0.000 0.000 0.000) 0.000 7.933 ( 0.000 0.000 0.000) 0.000 8.279 ( 0.000 0.000 0.000) 0.000 8.613 ( 0.000 0.000 -0.000) 0.000 8.681 ( 0.000 0.000 0.000) 0.000 9.376 ( 0.000 0.000 0.000) 0.000 10.196 ( 0.000 0.000 0.000) 0.000 11.731 ( 0.000 0.000 -0.000) 0.000 12.305 ( 0.000 0.000 -0.000) 0.000 12.502 ( 0.000 0.000 0.000) 0.000 12.816 ( 0.000 0.000 0.000) 0.000 14.265 ( 0.000 0.000 0.000) 0.000 14.390 ( 0.000 0.000 0.000) 0.000 14.417 ( 0.000 0.000 0.000) 0.000 14.533 ( 0.000 0.000 0.000) 0.000 15.297 ( 0.000 0.000 0.000) 0.000 15.905 ( 0.000 0.000 0.000) 0.000 16.319 ( 0.000 0.000 0.000) 0.000 17.475 ( 0.000 0.000 0.000) 0.000 17.518 ( 0.000 0.000 -0.000) 0.000 17.739 ( 0.000 0.000 0.000) 0.000 18.176 ( 0.000 0.000 -0.000) 0.000 18.728 ( 0.000 0.000 -0.000) 0.000 18.840 ( 0.000 0.000 0.000) 0.000 18.974 ( 0.000 0.000 -0.000) 0.000 19.243 ( 0.000 0.000 0.000) 0.000 21.063 ( 0.000 0.000 0.000) 0.000 21.161 ( 0.000 0.000 -0.000) 0.000 21.388 ( 0.000 0.000 0.000) 0.000 22.342 ( 0.000 0.000 0.000) 0.000 22.371 ( 0.000 0.000 0.000) 0.000 23.315 ( 0.000 0.000 0.000) 0.000 23.472 ( 0.000 0.000 0.000) 0.000 23.705 ( 0.000 0.000 -0.000) 0.000 23.762 ( 0.000 0.000 0.000) 0.000 23.900 ( 0.000 0.000 0.000) 0.000 24.045 ( 0.000 0.000 0.000) 0.000 25.750 ( 0.000 0.000 0.000) 0.000 25.861 ( 0.000 0.000 -0.000) 0.000 26.128 ( 0.000 0.000 0.000) 0.000 27.143 ( 0.000 0.000 -0.000) 0.000 27.592 ( 0.000 0.000 0.000) 0.000 27.866 ( 0.000 0.000 -0.000) 0.000 28.020 ( 0.000 0.000 0.000) 0.000 28.734 ( 0.000 0.000 0.000) 0.000 29.339 ( 0.000 0.000 0.000) 0.000 29.823 ( 0.000 0.000 0.000) 0.000 30.364 ( 0.000 0.000 0.000) 0.000 30.450 ( 0.000 0.000 0.000) 0.000 30.505 ( 0.000 0.000 -0.000) 0.000 30.570 ( 0.000 0.000 -0.000) 0.000 31.982 ( 0.000 0.000 -0.000) 0.000 32.049 ( 0.000 0.000 0.000) 0.000 32.381 ( 0.000 0.000 -0.000) 0.000 32.434 ( 0.000 0.000 0.000) 0.000 33.462 ( 0.000 0.000 -0.000) 0.000 33.888 ( 0.000 0.000 0.000) 0.000 35.090 ( 0.000 0.000 0.000) 0.000 39.201 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/126) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 41.615 0.000 0.000) 41.615 0.934 ( 48.074 0.000 0.000) 48.074 1.404 ( 59.946 0.000 0.000) 59.946 1.676 ( 17.655 0.000 0.000) 17.655 2.147 ( 7.026 0.000 0.000) 7.026 3.015 ( -3.083 0.000 0.000) 3.083 3.779 ( -0.221 0.000 0.000) 0.221 3.856 ( -12.621 0.000 0.000) 12.621 4.536 ( -17.457 0.000 0.000) 17.457 5.039 ( -17.437 0.000 0.000) 17.437 5.571 ( 5.561 0.000 0.000) 5.561 6.814 ( 4.838 0.000 0.000) 4.838 7.084 ( -9.662 0.000 0.000) 9.662 7.273 ( -32.158 0.000 0.000) 32.158 7.971 ( 3.006 0.000 0.000) 3.006 8.204 ( -6.236 0.000 0.000) 6.236 8.718 ( 9.576 0.000 0.000) 9.576 8.725 ( 10.565 0.000 0.000) 10.565 9.633 ( 18.219 0.000 0.000) 18.219 10.164 ( -3.589 0.000 0.000) 3.589 11.751 ( 2.498 0.000 0.000) 2.498 12.312 ( 0.759 0.000 0.000) 0.759 12.400 ( -15.064 0.000 0.000) 15.064 12.708 ( -10.308 0.000 0.000) 10.308 14.375 ( 0.247 0.000 0.000) 0.247 14.461 ( 5.129 0.000 0.000) 5.129 14.561 ( 18.271 0.000 0.000) 18.271 14.620 ( 16.920 0.000 0.000) 16.920 15.481 ( 16.695 0.000 0.000) 16.695 15.817 ( -7.614 0.000 0.000) 7.614 16.234 ( -9.427 0.000 0.000) 9.427 17.403 ( -25.351 0.000 0.000) 25.351 17.463 ( -0.474 0.000 0.000) 0.474 17.706 ( -24.033 0.000 0.000) 24.033 17.849 ( 10.583 0.000 0.000) 10.583 18.635 ( -13.367 0.000 0.000) 13.367 19.062 ( 10.350 0.000 0.000) 10.350 19.244 ( 0.037 0.000 0.000) 0.037 19.747 ( 31.025 0.000 0.000) 31.025 21.057 ( -10.978 0.000 0.000) 10.978 21.104 ( 4.274 0.000 0.000) 4.274 21.374 ( -1.901 0.000 0.000) 1.901 22.339 ( -0.227 0.000 0.000) 0.227 22.363 ( -0.732 0.000 0.000) 0.732 23.382 ( 1.179 0.000 0.000) 1.179 23.463 ( -0.921 0.000 0.000) 0.921 23.766 ( 0.439 0.000 0.000) 0.439 23.861 ( -2.918 0.000 0.000) 2.918 23.993 ( 2.213 0.000 0.000) 2.213 24.045 ( 0.005 0.000 0.000) 0.005 25.784 ( 3.643 0.000 0.000) 3.643 26.093 ( -3.739 0.000 0.000) 3.739 26.889 ( 4.098 0.000 0.000) 4.098 27.282 ( 6.461 0.000 0.000) 6.461 27.432 ( -13.100 0.000 0.000) 13.100 27.815 ( -6.599 0.000 0.000) 6.599 28.153 ( 11.844 0.000 0.000) 11.844 28.759 ( -6.410 0.000 0.000) 6.410 29.877 ( 5.569 0.000 0.000) 5.569 30.305 ( -5.741 0.000 0.000) 5.741 30.460 ( 1.059 0.000 0.000) 1.059 30.532 ( 0.176 0.000 0.000) 0.176 30.631 ( 8.447 0.000 0.000) 8.447 31.257 ( -6.958 0.000 0.000) 6.958 31.994 ( 1.198 0.000 0.000) 1.198 32.048 ( -0.167 0.000 0.000) 0.167 32.387 ( 0.733 0.000 0.000) 0.733 32.458 ( -0.975 0.000 0.000) 0.975 33.503 ( 4.372 0.000 0.000) 4.372 33.848 ( -4.214 0.000 0.000) 4.214 39.023 ( 2.096 0.000 0.000) 2.096 39.183 ( -1.898 0.000 0.000) 1.898 ======================= Grid point 2 (3/126) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 13.276 0.000 0.000) 13.276 1.464 ( 6.227 0.000 0.000) 6.227 1.920 ( 30.314 0.000 0.000) 30.314 2.277 ( -1.896 0.000 0.000) 1.896 2.648 ( 50.786 0.000 0.000) 50.786 3.030 ( 8.716 0.000 0.000) 8.716 3.496 ( -24.143 0.000 0.000) 24.143 3.587 ( -23.242 0.000 0.000) 23.242 4.377 ( 6.977 0.000 0.000) 6.977 4.673 ( -20.379 0.000 0.000) 20.379 5.799 ( 21.577 0.000 0.000) 21.577 6.411 ( -43.227 0.000 0.000) 43.227 6.924 ( 6.535 0.000 0.000) 6.535 7.042 ( -6.165 0.000 0.000) 6.165 8.040 ( 4.125 0.000 0.000) 4.125 8.115 ( -3.987 0.000 0.000) 3.987 8.911 ( 7.027 0.000 0.000) 7.027 8.912 ( 7.282 0.000 0.000) 7.282 9.901 ( 10.906 0.000 0.000) 10.906 10.064 ( -7.189 0.000 0.000) 7.189 11.848 ( 8.823 0.000 0.000) 8.823 12.084 ( -16.225 0.000 0.000) 16.225 12.367 ( 4.818 0.000 0.000) 4.818 12.505 ( -10.093 0.000 0.000) 10.093 14.395 ( 1.650 0.000 0.000) 1.650 14.433 ( -2.402 0.000 0.000) 2.402 14.967 ( 18.392 0.000 0.000) 18.392 15.072 ( 19.436 0.000 0.000) 19.436 15.594 ( 3.103 0.000 0.000) 3.103 15.952 ( -21.804 0.000 0.000) 21.804 15.984 ( 27.010 0.000 0.000) 27.010 16.640 ( -43.723 0.000 0.000) 43.723 17.476 ( 1.951 0.000 0.000) 1.951 17.533 ( -4.314 0.000 0.000) 4.314 18.086 ( 14.511 0.000 0.000) 14.511 18.365 ( -15.347 0.000 0.000) 15.347 19.190 ( 4.285 0.000 0.000) 4.285 19.236 ( -1.141 0.000 0.000) 1.141 20.316 ( 28.606 0.000 0.000) 28.606 20.768 ( -20.224 0.000 0.000) 20.224 21.205 ( 6.196 0.000 0.000) 6.196 21.311 ( -4.850 0.000 0.000) 4.850 22.338 ( 0.199 0.000 0.000) 0.199 22.348 ( -0.826 0.000 0.000) 0.826 23.410 ( 1.698 0.000 0.000) 1.698 23.440 ( -1.524 0.000 0.000) 1.524 23.780 ( 1.188 0.000 0.000) 1.188 23.811 ( -2.260 0.000 0.000) 2.260 24.027 ( 1.322 0.000 0.000) 1.322 24.042 ( -0.425 0.000 0.000) 0.425 25.878 ( 6.243 0.000 0.000) 6.243 25.998 ( -6.290 0.000 0.000) 6.290 27.003 ( 8.234 0.000 0.000) 8.234 27.192 ( -12.127 0.000 0.000) 12.127 27.444 ( 10.553 0.000 0.000) 10.553 27.647 ( -10.830 0.000 0.000) 10.830 28.384 ( 12.557 0.000 0.000) 12.557 28.600 ( -10.534 0.000 0.000) 10.534 30.010 ( 8.455 0.000 0.000) 8.455 30.170 ( -8.450 0.000 0.000) 8.450 30.486 ( 1.656 0.000 0.000) 1.656 30.516 ( -1.461 0.000 0.000) 1.461 30.842 ( 13.126 0.000 0.000) 13.126 31.079 ( -11.880 0.000 0.000) 11.880 32.019 ( 1.401 0.000 0.000) 1.401 32.040 ( -0.786 0.000 0.000) 0.786 32.407 ( 1.346 0.000 0.000) 1.346 32.434 ( -1.500 0.000 0.000) 1.500 33.611 ( 6.950 0.000 0.000) 6.950 33.743 ( -6.855 0.000 0.000) 6.855 39.074 ( 3.283 0.000 0.000) 3.283 39.135 ( -3.161 0.000 0.000) 3.161 ======================= Grid point 5 (4/126) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.000 44.228 0.000) 44.228 1.017 ( 0.000 47.671 0.000) 47.671 1.165 ( 0.000 43.941 0.000) 43.941 2.050 ( 0.000 37.944 0.000) 37.944 2.618 ( 0.000 2.173 0.000) 2.173 3.839 ( 0.000 6.821 0.000) 6.821 3.871 ( 0.000 -5.489 0.000) 5.489 4.048 ( 0.000 5.806 0.000) 5.806 4.988 ( 0.000 24.521 0.000) 24.521 5.075 ( 0.000 24.062 0.000) 24.062 5.357 ( 0.000 19.217 0.000) 19.217 6.841 ( 0.000 7.120 0.000) 7.120 7.228 ( 0.000 -4.262 0.000) 4.262 7.507 ( 0.000 -8.522 0.000) 8.522 7.812 ( 0.000 -27.016 0.000) 27.016 8.000 ( 0.000 4.600 0.000) 4.600 8.417 ( 0.000 -14.751 0.000) 14.751 9.295 ( 0.000 35.543 0.000) 35.543 9.397 ( 0.000 2.067 0.000) 2.067 10.437 ( 0.000 21.567 0.000) 21.567 11.718 ( 0.000 -1.616 0.000) 1.616 12.311 ( 0.000 -1.079 0.000) 1.079 12.514 ( 0.000 0.412 0.000) 0.412 12.843 ( 0.000 3.398 0.000) 3.398 14.099 ( 0.000 -12.021 0.000) 12.021 14.339 ( 0.000 -8.907 0.000) 8.907 14.445 ( 0.000 1.820 0.000) 1.820 14.500 ( 0.000 -6.378 0.000) 6.378 15.263 ( 0.000 -2.347 0.000) 2.347 15.977 ( 0.000 -4.210 0.000) 4.210 16.307 ( 0.000 -2.203 0.000) 2.203 17.276 ( 0.000 -15.797 0.000) 15.797 17.504 ( 0.000 -3.401 0.000) 3.401 17.621 ( 0.000 -18.025 0.000) 18.025 18.377 ( 0.000 8.445 0.000) 8.445 18.769 ( 0.000 -2.614 0.000) 2.614 18.901 ( 0.000 3.546 0.000) 3.546 18.958 ( 0.000 10.496 0.000) 10.496 19.486 ( 0.000 17.571 0.000) 17.571 21.033 ( 0.000 -3.307 0.000) 3.307 21.372 ( 0.000 -1.639 0.000) 1.639 21.598 ( 0.000 -0.891 0.000) 0.891 22.354 ( 0.000 1.126 0.000) 1.126 22.406 ( 0.000 3.619 0.000) 3.619 23.267 ( 0.000 -7.912 0.000) 7.912 23.556 ( 0.000 -8.131 0.000) 8.131 23.726 ( 0.000 -7.220 0.000) 7.220 23.780 ( 0.000 -2.458 0.000) 2.458 23.835 ( 0.000 -5.446 0.000) 5.446 24.389 ( 0.000 -31.389 0.000) 31.389 25.786 ( 0.000 0.145 0.000) 0.145 25.872 ( 0.000 1.558 0.000) 1.558 26.666 ( 0.000 -3.615 0.000) 3.615 26.883 ( 0.000 -16.014 0.000) 16.014 27.798 ( 0.000 11.132 0.000) 11.132 28.062 ( 0.000 4.854 0.000) 4.854 28.751 ( 0.000 2.081 0.000) 2.081 29.077 ( 0.000 3.816 0.000) 3.816 29.254 ( 0.000 -6.412 0.000) 6.412 30.045 ( 0.000 15.919 0.000) 15.919 30.469 ( 0.000 4.840 0.000) 4.840 30.565 ( 0.000 12.600 0.000) 12.600 30.671 ( 0.000 12.238 0.000) 12.238 31.289 ( 0.000 -5.550 0.000) 5.550 32.007 ( 0.000 -1.275 0.000) 1.275 32.122 ( 0.000 6.555 0.000) 6.555 32.401 ( 0.000 3.055 0.000) 3.055 33.691 ( 0.000 19.409 0.000) 19.409 33.802 ( 0.000 -7.489 0.000) 7.489 35.070 ( 0.000 -1.920 0.000) 1.920 35.557 ( 0.000 7.053 0.000) 7.053 38.926 ( 0.000 -27.091 0.000) 27.091 ======================= Grid point 6 (5/126) ======================= q-point: ( 0.20 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 21.531 28.020 0.000) 35.337 1.303 ( 28.778 28.296 0.000) 40.359 1.638 ( 26.947 19.739 0.000) 33.404 2.158 ( 16.159 35.463 0.000) 38.971 2.540 ( -1.578 14.404 0.000) 14.490 3.546 ( -12.925 32.009 0.000) 34.520 3.819 ( -8.911 -2.641 0.000) 9.295 3.980 ( 2.373 18.372 0.000) 18.524 4.876 ( -18.995 27.771 0.000) 33.646 5.077 ( -16.002 5.408 0.000) 16.891 5.377 ( 14.015 5.676 0.000) 15.121 6.790 ( -9.959 -1.215 0.000) 10.032 7.163 ( -7.510 0.675 0.000) 7.541 7.251 ( -17.963 -1.236 0.000) 18.005 7.817 ( 5.361 -11.997 0.000) 13.141 8.135 ( 5.352 -2.401 0.000) 5.866 8.570 ( 14.462 -10.443 0.000) 17.839 9.021 ( -9.676 17.962 0.000) 20.403 9.746 ( 19.059 12.417 0.000) 22.747 10.394 ( -4.614 19.953 0.000) 20.480 11.777 ( 5.376 1.909 0.000) 5.705 12.292 ( -0.812 -3.634 0.000) 3.724 12.389 ( -13.045 -0.354 0.000) 13.050 12.737 ( -10.345 3.972 0.000) 11.081 14.185 ( 5.311 -14.845 0.000) 15.766 14.343 ( -1.719 -12.807 0.000) 12.922 14.530 ( 14.871 -0.916 0.000) 14.899 14.667 ( 16.838 -0.407 0.000) 16.843 15.452 ( 17.714 -2.411 0.000) 17.877 15.815 ( -13.149 -1.872 0.000) 13.282 16.178 ( -12.471 -5.709 0.000) 13.715 17.101 ( -20.717 -9.908 0.000) 22.965 17.521 ( 4.040 -3.787 0.000) 5.537 17.639 ( 7.823 -10.500 0.000) 13.094 18.061 ( -21.983 12.537 0.000) 25.307 18.568 ( -15.556 -4.965 0.000) 16.329 19.123 ( 10.288 6.921 0.000) 12.400 19.408 ( 13.034 9.299 0.000) 16.011 19.604 ( 29.399 1.310 0.000) 29.428 21.036 ( 0.850 -2.371 0.000) 2.519 21.234 ( -17.779 0.679 0.000) 17.792 21.412 ( -7.556 3.237 0.000) 8.220 22.355 ( 0.379 1.641 0.000) 1.684 22.407 ( -0.249 4.054 0.000) 4.062 23.283 ( 1.560 -9.271 0.000) 9.402 23.480 ( -6.055 -6.515 0.000) 8.895 23.695 ( 0.164 -5.970 0.000) 5.972 23.796 ( -1.273 -3.939 0.000) 4.139 23.884 ( 4.490 -5.937 0.000) 7.444 24.189 ( -11.481 -9.187 0.000) 14.704 25.770 ( 0.835 2.670 0.000) 2.798 25.907 ( 0.046 -8.983 0.000) 8.983 26.707 ( 4.553 -10.308 0.000) 11.269 26.925 ( 2.919 -16.792 0.000) 17.044 27.724 ( -5.448 12.576 0.000) 13.705 28.107 ( -3.129 11.572 0.000) 11.988 28.326 ( -16.363 14.118 0.000) 21.612 28.758 ( -8.600 0.359 0.000) 8.607 29.742 ( 16.655 -10.615 0.000) 19.750 30.218 ( 6.806 4.045 0.000) 7.917 30.508 ( 2.895 1.386 0.000) 3.210 30.576 ( 0.852 12.402 0.000) 12.431 30.760 ( 9.333 13.248 0.000) 16.205 31.264 ( -3.164 -3.354 0.000) 4.611 32.007 ( 0.148 -2.337 0.000) 2.342 32.105 ( -1.909 5.849 0.000) 6.153 32.419 ( 2.070 4.725 0.000) 5.159 33.102 ( -43.131 25.785 0.000) 50.251 33.733 ( 4.398 19.652 0.000) 20.138 34.139 ( -11.920 28.904 0.000) 31.265 37.603 ( 77.101 -76.500 0.000) 108.613 38.884 ( -4.664 -28.790 0.000) 29.165 ======================= Grid point 7 (6/126) ======================= q-point: ( 0.40 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 13.072 14.961 0.000) 19.867 1.693 ( -0.761 18.219 0.000) 18.235 1.968 ( 25.938 7.893 0.000) 27.112 2.330 ( -8.485 3.488 0.000) 9.174 2.920 ( 36.596 20.810 0.000) 42.099 3.471 ( -17.046 17.884 0.000) 24.706 3.652 ( 10.750 28.363 0.000) 30.332 3.984 ( -9.987 31.278 0.000) 32.834 4.539 ( -7.368 16.970 0.000) 18.501 4.707 ( -18.781 3.494 0.000) 19.104 5.716 ( 24.176 0.885 0.000) 24.192 6.295 ( -36.273 -4.327 0.000) 36.530 7.062 ( 0.821 8.606 0.000) 8.645 7.115 ( -4.048 4.768 0.000) 6.254 7.965 ( 9.299 -5.557 0.000) 10.833 8.117 ( -6.072 -1.634 0.000) 6.287 8.834 ( 11.472 -4.692 0.000) 12.394 8.950 ( -1.972 4.183 0.000) 4.624 10.044 ( 13.776 13.409 0.000) 19.225 10.262 ( -9.733 16.745 0.000) 19.369 11.901 ( 8.513 3.863 0.000) 9.348 12.113 ( -14.521 1.296 0.000) 14.579 12.338 ( 6.474 -2.700 0.000) 7.014 12.518 ( -12.045 2.558 0.000) 12.313 14.250 ( 2.584 -13.469 0.000) 13.714 14.297 ( -2.592 -12.972 0.000) 13.229 14.909 ( 20.432 -6.571 0.000) 21.462 15.022 ( 15.060 -5.882 0.000) 16.168 15.543 ( -6.194 -3.532 0.000) 7.130 15.706 ( -10.388 -15.221 0.000) 18.428 16.082 ( 17.674 4.364 0.000) 18.205 16.604 ( -31.329 0.118 0.000) 31.329 17.581 ( 3.918 4.547 0.000) 6.002 17.702 ( -9.298 14.438 0.000) 17.173 17.937 ( 15.169 -13.404 0.000) 20.243 18.256 ( -17.815 -8.481 0.000) 19.731 19.288 ( 7.604 9.282 0.000) 12.000 19.402 ( -4.614 13.072 0.000) 13.862 20.263 ( 32.949 -3.910 0.000) 33.180 20.791 ( -24.769 0.811 0.000) 24.782 21.155 ( 6.816 -4.280 0.000) 8.048 21.292 ( -7.134 -1.501 0.000) 7.290 22.370 ( 1.169 3.067 0.000) 3.282 22.393 ( -1.183 4.214 0.000) 4.376 23.321 ( 2.625 -10.084 0.000) 10.421 23.384 ( -4.242 -8.749 0.000) 9.723 23.720 ( 2.011 -4.948 0.000) 5.342 23.760 ( -2.255 -4.047 0.000) 4.633 23.963 ( 4.104 -5.634 0.000) 6.971 24.045 ( -5.328 -5.222 0.000) 7.461 25.811 ( 3.165 -2.438 0.000) 3.995 25.873 ( -3.088 -7.553 0.000) 8.160 26.822 ( 7.253 -13.233 0.000) 15.091 26.932 ( -3.247 -15.569 0.000) 15.904 27.690 ( 3.496 14.482 0.000) 14.898 27.856 ( -13.664 16.107 0.000) 21.122 28.387 ( 9.951 -0.064 0.000) 9.951 28.580 ( -10.484 -0.970 0.000) 10.529 30.003 ( 12.684 -1.512 0.000) 12.774 30.195 ( -7.250 2.257 0.000) 7.593 30.553 ( 2.002 4.711 0.000) 5.119 30.580 ( -0.738 9.408 0.000) 9.437 30.960 ( 11.538 10.431 0.000) 15.554 31.155 ( -8.750 4.171 0.000) 9.694 32.020 ( 1.394 -2.420 0.000) 2.793 32.059 ( -2.652 1.644 0.000) 3.120 32.483 ( 5.150 9.039 0.000) 10.403 32.637 ( -13.204 16.785 0.000) 21.356 33.843 ( 7.141 20.354 0.000) 21.570 33.982 ( -7.711 21.930 0.000) 23.246 38.440 ( 25.079 -51.257 0.000) 57.063 38.746 ( -10.803 -35.317 0.000) 36.932 ======================= Grid point 10 (7/126) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 0.000 27.775 0.000) 27.775 1.889 ( 0.000 29.746 0.000) 29.746 1.889 ( 0.000 35.825 0.000) 35.825 2.550 ( 0.000 4.238 0.000) 4.238 2.914 ( 0.000 28.059 0.000) 28.059 3.725 ( 0.000 -9.000 0.000) 9.000 4.029 ( 0.000 11.530 0.000) 11.530 4.244 ( 0.000 15.037 0.000) 15.037 5.457 ( 0.000 18.612 0.000) 18.612 5.819 ( 0.000 54.580 0.000) 54.580 6.040 ( 0.000 32.450 0.000) 32.450 6.973 ( 0.000 -0.449 0.000) 0.449 7.131 ( 0.000 -6.453 0.000) 6.453 7.418 ( 0.000 -4.077 0.000) 4.077 7.430 ( 0.000 7.309 0.000) 7.309 8.075 ( 0.000 2.673 0.000) 2.673 8.110 ( 0.000 -11.078 0.000) 11.078 9.463 ( 0.000 4.589 0.000) 4.589 9.992 ( 0.000 31.349 0.000) 31.349 10.992 ( 0.000 30.926 0.000) 30.926 11.635 ( 0.000 -7.676 0.000) 7.676 12.204 ( 0.000 -9.217 0.000) 9.217 12.468 ( 0.000 -5.982 0.000) 5.982 12.990 ( 0.000 9.918 0.000) 9.918 13.853 ( 0.000 -11.075 0.000) 11.075 14.024 ( 0.000 -21.289 0.000) 21.289 14.322 ( 0.000 -11.676 0.000) 11.676 14.449 ( 0.000 -0.090 0.000) 0.090 15.254 ( 0.000 2.264 0.000) 2.264 15.890 ( 0.000 -4.519 0.000) 4.519 16.201 ( 0.000 -7.231 0.000) 7.231 16.914 ( 0.000 -17.863 0.000) 17.863 17.367 ( 0.000 -5.451 0.000) 5.451 17.375 ( 0.000 -8.835 0.000) 8.835 18.488 ( 0.000 3.561 0.000) 3.561 18.658 ( 0.000 -6.222 0.000) 6.222 19.066 ( 0.000 9.041 0.000) 9.041 19.169 ( 0.000 7.482 0.000) 7.482 19.876 ( 0.000 19.885 0.000) 19.885 20.904 ( 0.000 -9.819 0.000) 9.819 21.318 ( 0.000 -3.818 0.000) 3.818 21.565 ( 0.000 -2.458 0.000) 2.458 22.379 ( 0.000 0.995 0.000) 0.995 22.526 ( 0.000 8.061 0.000) 8.061 22.876 ( 0.000 -28.371 0.000) 28.371 23.267 ( 0.000 -37.133 0.000) 37.133 23.479 ( 0.000 -1.743 0.000) 1.743 23.653 ( 0.000 -8.581 0.000) 8.581 23.718 ( 0.000 -6.984 0.000) 6.984 23.911 ( 0.000 -10.292 0.000) 10.292 25.736 ( 0.000 -3.342 0.000) 3.342 25.943 ( 0.000 5.497 0.000) 5.497 26.603 ( 0.000 -2.786 0.000) 2.786 26.635 ( 0.000 -7.853 0.000) 7.853 27.913 ( 0.000 -0.125 0.000) 0.125 28.155 ( 0.000 3.952 0.000) 3.952 28.837 ( 0.000 6.472 0.000) 6.472 29.139 ( 0.000 -4.105 0.000) 4.105 29.232 ( 0.000 9.840 0.000) 9.840 30.312 ( 0.000 10.551 0.000) 10.551 30.505 ( 0.000 -0.269 0.000) 0.269 30.952 ( 0.000 20.918 0.000) 20.918 30.992 ( 0.000 15.435 0.000) 15.435 31.161 ( 0.000 -5.336 0.000) 5.336 31.889 ( 0.000 -6.580 0.000) 6.580 32.286 ( 0.000 8.522 0.000) 8.522 32.674 ( 0.000 20.704 0.000) 20.704 33.643 ( 0.000 -6.094 0.000) 6.094 34.146 ( 0.000 23.328 0.000) 23.328 35.010 ( 0.000 -4.008 0.000) 4.008 35.730 ( 0.000 9.016 0.000) 9.016 38.181 ( 0.000 -43.574 0.000) 43.574 ======================= Grid point 11 (8/126) ======================= q-point: ( 0.20 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 5.596 25.336 0.000) 25.947 1.886 ( 10.829 27.186 0.000) 29.264 2.077 ( 7.708 20.608 0.000) 22.002 2.514 ( -3.362 4.597 0.000) 5.695 3.030 ( 12.326 26.953 0.000) 29.638 3.703 ( -2.925 -7.757 0.000) 8.290 4.030 ( 4.918 19.706 0.000) 20.311 4.345 ( 8.988 15.344 0.000) 17.783 5.269 ( -18.775 18.415 0.000) 26.298 5.647 ( -25.297 36.973 0.000) 44.799 5.962 ( 1.724 42.664 0.000) 42.699 6.782 ( -17.010 -0.245 0.000) 17.012 7.129 ( 0.833 -2.890 0.000) 3.007 7.282 ( -4.034 6.382 0.000) 7.550 7.695 ( 13.931 4.876 0.000) 14.760 8.040 ( 3.137 -4.647 0.000) 5.606 8.433 ( 22.134 -1.476 0.000) 22.183 9.307 ( -12.599 10.833 0.000) 16.616 10.141 ( 12.879 23.855 0.000) 27.109 10.870 ( -10.470 24.091 0.000) 26.268 11.804 ( 12.643 0.157 0.000) 12.644 12.108 ( -6.003 -14.144 0.000) 15.365 12.370 ( -10.232 -1.965 0.000) 10.419 12.883 ( -10.106 8.278 0.000) 13.064 13.860 ( 0.998 -15.336 0.000) 15.368 13.989 ( -3.043 -21.089 0.000) 21.308 14.454 ( 12.085 -6.790 0.000) 13.862 14.576 ( 12.626 -7.358 0.000) 14.613 15.410 ( 12.249 -1.142 0.000) 12.303 15.748 ( -13.504 -5.067 0.000) 14.423 16.058 ( -7.995 -2.770 0.000) 8.461 17.015 ( -4.477 -0.876 0.000) 4.562 17.269 ( 5.458 -16.066 0.000) 16.967 17.460 ( 6.260 -8.134 0.000) 10.264 18.245 ( -17.495 5.420 0.000) 18.316 18.498 ( -17.060 -0.977 0.000) 17.088 19.245 ( 14.013 2.292 0.000) 14.199 19.513 ( 28.387 4.643 0.000) 28.764 19.862 ( -0.405 17.303 0.000) 17.307 20.928 ( 3.436 -8.790 0.000) 9.438 21.189 ( -15.511 -3.161 0.000) 15.829 21.440 ( -9.833 -0.612 0.000) 9.852 22.383 ( 0.895 -0.623 0.000) 1.090 22.531 ( -0.146 7.919 0.000) 7.920 22.892 ( 1.711 -26.570 0.000) 26.625 23.154 ( -8.225 -28.933 0.000) 30.079 23.562 ( 5.239 -4.196 0.000) 6.712 23.665 ( 0.869 -10.370 0.000) 10.406 23.729 ( 1.482 -7.781 0.000) 7.921 23.889 ( -2.205 -10.095 0.000) 10.333 25.728 ( 0.403 -3.334 0.000) 3.359 25.977 ( 0.357 9.551 0.000) 9.557 26.527 ( -3.117 -7.170 0.000) 7.818 26.667 ( 1.923 -8.440 0.000) 8.656 27.903 ( -0.543 4.596 0.000) 4.628 28.226 ( 7.151 1.579 0.000) 7.324 28.587 ( -26.138 10.927 0.000) 28.330 28.807 ( -10.703 5.039 0.000) 11.830 29.624 ( 19.840 -2.002 0.000) 19.941 30.327 ( -2.718 3.475 0.000) 4.412 30.550 ( 6.966 3.862 0.000) 7.965 30.930 ( -2.017 18.030 0.000) 18.143 31.085 ( 7.886 16.402 0.000) 18.199 31.184 ( 2.217 -2.090 0.000) 3.047 31.871 ( -0.915 -7.992 0.000) 8.044 32.236 ( -5.643 6.047 0.000) 8.271 32.708 ( 3.572 20.794 0.000) 21.099 33.346 ( -23.574 6.407 0.000) 24.429 34.197 ( 5.366 23.844 0.000) 24.440 34.715 ( -14.435 21.520 0.000) 25.913 36.517 ( 54.787 -33.909 0.000) 64.432 38.106 ( -8.305 -44.657 0.000) 45.422 ======================= Grid point 12 (9/126) ======================= q-point: ( 0.40 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 8.112 20.630 0.000) 22.167 2.070 ( -4.156 17.386 0.000) 17.876 2.181 ( 14.898 10.945 0.000) 18.486 2.418 ( -8.688 4.459 0.000) 9.766 3.323 ( 17.224 15.426 0.000) 23.122 3.586 ( -10.333 0.098 0.000) 10.333 4.314 ( 25.030 25.261 0.000) 35.561 4.559 ( 13.691 23.127 0.000) 26.876 4.857 ( -22.957 13.770 0.000) 26.770 5.049 ( -33.083 26.718 0.000) 42.524 6.120 ( 14.027 36.296 0.000) 38.912 6.438 ( -19.239 17.892 0.000) 26.273 7.163 ( 2.712 2.060 0.000) 3.405 7.220 ( -3.221 5.197 0.000) 6.114 7.920 ( 10.543 5.474 0.000) 11.880 8.059 ( -3.419 -0.149 0.000) 3.422 8.816 ( 18.067 3.276 0.000) 18.362 9.084 ( -11.950 8.841 0.000) 14.865 10.400 ( 14.478 20.046 0.000) 24.727 10.655 ( -12.863 20.143 0.000) 23.899 11.897 ( 2.007 -6.481 0.000) 6.784 12.025 ( -9.959 -11.306 0.000) 15.066 12.346 ( 14.047 5.359 0.000) 15.035 12.645 ( -15.499 8.297 0.000) 17.580 13.890 ( 2.045 -20.124 0.000) 20.228 13.934 ( -2.751 -21.379 0.000) 21.555 14.704 ( 13.289 -11.522 0.000) 17.589 14.799 ( 6.577 -15.769 0.000) 17.085 15.437 ( -5.379 -5.292 0.000) 7.546 15.510 ( -10.810 -3.696 0.000) 11.425 16.204 ( 23.027 7.855 0.000) 24.330 16.679 ( -24.910 6.525 0.000) 25.750 17.536 ( 13.896 -14.371 0.000) 19.991 17.623 ( 8.936 -12.892 0.000) 15.686 17.964 ( -8.156 9.979 0.000) 12.888 18.144 ( -19.582 0.365 0.000) 19.585 19.483 ( 11.825 7.077 0.000) 13.781 19.672 ( -7.765 10.877 0.000) 13.365 20.205 ( 32.059 -0.619 0.000) 32.065 20.765 ( -27.578 -3.246 0.000) 27.769 21.059 ( 9.533 -4.508 0.000) 10.545 21.255 ( -10.705 -2.264 0.000) 10.942 22.427 ( 3.750 -0.332 0.000) 3.765 22.499 ( -3.351 4.318 0.000) 5.465 22.939 ( 3.423 -23.839 0.000) 24.083 23.022 ( -5.799 -24.506 0.000) 25.183 23.633 ( 2.673 -3.338 0.000) 4.277 23.666 ( -0.883 -6.862 0.000) 6.918 23.776 ( 3.289 -11.066 0.000) 11.545 23.837 ( -3.215 -10.573 0.000) 11.051 25.776 ( 4.922 -0.084 0.000) 4.923 25.897 ( -7.327 7.105 0.000) 10.206 26.576 ( 6.538 -9.600 0.000) 11.615 26.671 ( -2.428 -9.045 0.000) 9.366 27.938 ( 5.827 8.776 0.000) 10.535 28.156 ( -18.109 9.643 0.000) 20.517 28.398 ( 10.531 3.513 0.000) 11.101 28.605 ( -11.494 4.204 0.000) 12.239 29.945 ( 15.387 -4.346 0.000) 15.989 30.190 ( -10.985 -3.521 0.000) 11.535 30.719 ( 9.409 11.401 0.000) 14.782 30.862 ( -5.724 15.573 0.000) 16.592 31.207 ( 3.864 12.899 0.000) 13.465 31.224 ( 1.470 3.924 0.000) 4.190 31.909 ( 6.172 -7.078 0.000) 9.391 32.080 ( -10.535 0.067 0.000) 10.535 32.804 ( 7.092 20.421 0.000) 21.618 32.990 ( -14.020 17.576 0.000) 22.483 34.330 ( 8.666 24.892 0.000) 26.358 34.504 ( -10.004 25.372 0.000) 27.273 37.365 ( 35.877 -48.947 0.000) 60.688 37.860 ( -19.122 -47.559 0.000) 51.259 ======================= Grid point 15 (10/126) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 0.000 11.972 0.000) 11.972 2.384 ( 0.000 16.134 0.000) 16.134 2.426 ( 0.000 16.697 0.000) 16.697 2.607 ( 0.000 6.031 0.000) 6.031 3.376 ( 0.000 15.684 0.000) 15.684 3.519 ( 0.000 -10.471 0.000) 10.471 4.331 ( 0.000 18.647 0.000) 18.647 4.707 ( 0.000 29.404 0.000) 29.404 5.881 ( 0.000 20.966 0.000) 20.966 6.311 ( 0.000 -0.761 0.000) 0.761 6.708 ( 0.000 -7.384 0.000) 7.384 6.828 ( 0.000 3.452 0.000) 3.452 7.077 ( 0.000 14.548 0.000) 14.548 7.623 ( 0.000 22.959 0.000) 22.959 7.840 ( 0.000 14.897 0.000) 14.897 8.241 ( 0.000 23.415 0.000) 23.415 8.265 ( 0.000 31.778 0.000) 31.778 9.615 ( 0.000 12.487 0.000) 12.487 10.552 ( 0.000 23.276 0.000) 23.276 11.347 ( 0.000 -21.255 0.000) 21.255 11.614 ( 0.000 26.958 0.000) 26.958 11.984 ( 0.000 -10.357 0.000) 10.357 12.294 ( 0.000 -8.837 0.000) 8.837 13.155 ( 0.000 2.807 0.000) 2.807 13.523 ( 0.000 -25.067 0.000) 25.067 13.605 ( 0.000 -15.564 0.000) 15.564 14.017 ( 0.000 -17.643 0.000) 17.643 14.538 ( 0.000 10.612 0.000) 10.612 15.346 ( 0.000 5.738 0.000) 5.738 15.748 ( 0.000 -8.831 0.000) 8.831 16.121 ( 0.000 0.912 0.000) 0.912 16.600 ( 0.000 -12.120 0.000) 12.120 17.177 ( 0.000 -9.165 0.000) 9.165 17.391 ( 0.000 6.815 0.000) 6.815 18.487 ( 0.000 -11.500 0.000) 11.500 18.552 ( 0.000 3.063 0.000) 3.063 19.187 ( 0.000 -6.741 0.000) 6.741 19.245 ( 0.000 8.780 0.000) 8.780 20.281 ( 0.000 19.452 0.000) 19.452 20.629 ( 0.000 -16.800 0.000) 16.800 21.197 ( 0.000 -9.029 0.000) 9.029 21.501 ( 0.000 -3.263 0.000) 3.263 22.214 ( 0.000 -32.899 0.000) 32.899 22.360 ( 0.000 -8.057 0.000) 8.057 22.504 ( 0.000 -28.152 0.000) 28.152 22.730 ( 0.000 10.973 0.000) 10.973 23.349 ( 0.000 -10.905 0.000) 10.905 23.546 ( 0.000 -1.470 0.000) 1.470 23.592 ( 0.000 -3.758 0.000) 3.758 23.807 ( 0.000 -2.844 0.000) 2.844 25.707 ( 0.000 1.149 0.000) 1.149 26.079 ( 0.000 7.040 0.000) 7.040 26.527 ( 0.000 -5.211 0.000) 5.211 26.543 ( 0.000 -1.806 0.000) 1.806 27.827 ( 0.000 -7.135 0.000) 7.135 28.240 ( 0.000 4.808 0.000) 4.808 28.986 ( 0.000 6.325 0.000) 6.325 29.100 ( 0.000 1.180 0.000) 1.180 29.411 ( 0.000 6.617 0.000) 6.617 30.471 ( 0.000 -2.977 0.000) 2.977 30.521 ( 0.000 10.083 0.000) 10.083 30.994 ( 0.000 -6.173 0.000) 6.173 31.202 ( 0.000 4.199 0.000) 4.199 31.397 ( 0.000 16.733 0.000) 16.733 31.853 ( 0.000 4.076 0.000) 4.076 32.415 ( 0.000 2.732 0.000) 2.732 33.148 ( 0.000 24.111 0.000) 24.111 33.643 ( 0.000 7.940 0.000) 7.940 34.595 ( 0.000 19.679 0.000) 19.679 34.905 ( 0.000 -6.205 0.000) 6.205 35.896 ( 0.000 6.305 0.000) 6.305 37.236 ( 0.000 -46.678 0.000) 46.678 ======================= Grid point 16 (11/126) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 4.246 10.186 0.000) 11.036 2.379 ( -0.059 15.399 0.000) 15.399 2.421 ( -0.801 14.720 0.000) 14.741 2.589 ( -2.082 6.164 0.000) 6.506 3.421 ( 3.987 10.731 0.000) 11.448 3.521 ( 0.211 -8.909 0.000) 8.912 4.430 ( 11.362 20.509 0.000) 23.446 4.778 ( 7.955 27.309 0.000) 28.444 5.711 ( -18.140 23.318 0.000) 29.543 5.996 ( -27.693 0.681 0.000) 27.701 6.705 ( -6.896 -5.372 0.000) 8.742 6.789 ( 2.205 10.723 0.000) 10.947 7.142 ( 5.856 17.982 0.000) 18.911 7.462 ( -6.442 8.550 0.000) 10.706 8.095 ( 15.740 27.333 0.000) 31.541 8.280 ( 1.951 30.273 0.000) 30.336 8.529 ( 25.283 16.748 0.000) 30.327 9.552 ( -7.035 16.334 0.000) 17.785 10.622 ( 7.572 21.701 0.000) 22.984 11.204 ( -9.857 0.695 0.000) 9.881 11.772 ( -1.658 -6.250 0.000) 6.467 11.831 ( -1.057 -2.954 0.000) 3.137 12.285 ( -2.930 -6.059 0.000) 6.731 12.960 ( -12.522 -3.633 0.000) 13.039 13.496 ( -1.947 -22.443 0.000) 22.527 13.611 ( -4.570 -13.110 0.000) 13.884 14.181 ( 15.465 -18.494 0.000) 24.108 14.555 ( 1.421 7.520 0.000) 7.654 15.420 ( 4.201 1.937 0.000) 4.626 15.619 ( -10.614 -5.560 0.000) 11.982 16.113 ( 4.316 6.448 0.000) 7.759 16.811 ( 18.273 -16.212 0.000) 24.428 17.193 ( -9.024 3.498 0.000) 9.678 17.282 ( -0.755 -5.282 0.000) 5.336 18.278 ( -12.562 -2.060 0.000) 12.730 18.526 ( -12.241 2.867 0.000) 12.573 19.184 ( 12.345 -8.076 0.000) 14.752 19.589 ( 21.667 1.812 0.000) 21.743 20.178 ( -8.275 10.161 0.000) 13.104 20.712 ( 7.436 -8.975 0.000) 11.655 21.102 ( -10.990 -6.901 0.000) 12.977 21.404 ( -8.663 -1.954 0.000) 8.881 22.126 ( -4.546 -26.256 0.000) 26.647 22.358 ( -4.731 -27.287 0.000) 27.694 22.591 ( 9.160 -10.412 0.000) 13.868 22.754 ( 2.100 9.200 0.000) 9.437 23.378 ( 2.602 -12.592 0.000) 12.858 23.546 ( -0.881 -3.484 0.000) 3.594 23.588 ( 0.726 -3.301 0.000) 3.380 23.784 ( -2.461 -2.742 0.000) 3.685 25.713 ( 1.868 1.740 0.000) 2.553 26.161 ( 4.476 7.918 0.000) 9.095 26.403 ( -8.347 -5.693 0.000) 10.104 26.563 ( 1.528 -2.025 0.000) 2.537 27.905 ( 6.727 -4.187 0.000) 7.923 28.244 ( 0.487 1.653 0.000) 1.723 28.775 ( -18.229 7.690 0.000) 19.784 28.956 ( -9.396 8.868 0.000) 12.920 29.598 ( 12.786 -1.441 0.000) 12.867 30.303 ( -12.349 -5.180 0.000) 13.392 30.700 ( 14.049 9.508 0.000) 16.964 31.058 ( 4.541 -0.958 0.000) 4.641 31.324 ( 11.036 6.515 0.000) 12.815 31.381 ( -0.238 14.011 0.000) 14.013 31.792 ( -6.031 2.499 0.000) 6.528 32.313 ( -10.458 0.926 0.000) 10.499 33.178 ( 3.096 23.790 0.000) 23.991 33.536 ( -9.137 13.930 0.000) 16.660 34.652 ( 5.814 19.570 0.000) 20.416 34.955 ( 2.012 2.171 0.000) 2.959 36.084 ( 19.515 -10.727 0.000) 22.269 37.157 ( -8.685 -46.062 0.000) 46.874 ======================= Grid point 17 (12/126) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 5.665 7.983 0.000) 9.789 2.349 ( -3.906 7.488 0.000) 8.445 2.440 ( 3.720 15.966 0.000) 16.394 2.526 ( -4.653 8.313 0.000) 9.526 3.489 ( 2.860 1.293 0.000) 3.138 3.520 ( -0.605 -4.837 0.000) 4.874 4.761 ( 23.982 20.640 0.000) 31.641 5.009 ( 16.757 22.532 0.000) 28.080 5.271 ( -26.711 21.873 0.000) 34.524 5.450 ( -28.329 13.805 0.000) 31.513 6.667 ( 2.939 1.943 0.000) 3.523 6.758 ( -5.094 11.741 0.000) 12.798 7.265 ( 7.335 13.482 0.000) 15.348 7.382 ( -4.698 10.458 0.000) 11.465 8.308 ( 6.283 25.382 0.000) 26.148 8.332 ( 2.497 28.609 0.000) 28.718 8.996 ( 23.210 18.497 0.000) 29.679 9.350 ( -15.074 20.472 0.000) 25.423 10.815 ( 12.346 19.638 0.000) 23.197 11.028 ( -10.111 14.353 0.000) 17.557 11.619 ( -1.602 -18.820 0.000) 18.888 11.761 ( -13.199 -12.589 0.000) 18.240 12.417 ( 17.742 -1.789 0.000) 17.832 12.740 ( -14.375 -1.367 0.000) 14.439 13.467 ( -0.644 -22.233 0.000) 22.242 13.500 ( -4.773 -18.963 0.000) 19.554 14.449 ( 11.235 -13.723 0.000) 17.736 14.563 ( -1.703 -1.922 0.000) 2.568 15.411 ( -1.776 1.816 0.000) 2.540 15.458 ( -6.396 -1.235 0.000) 6.514 16.384 ( 22.838 8.984 0.000) 24.542 16.833 ( -23.626 6.803 0.000) 24.586 17.158 ( 16.383 -17.178 0.000) 23.738 17.337 ( -1.258 -15.180 0.000) 15.232 18.117 ( -2.030 5.735 0.000) 6.084 18.249 ( -14.183 7.199 0.000) 15.905 19.480 ( 16.934 -8.025 0.000) 18.739 19.750 ( -9.354 -3.998 0.000) 10.173 20.253 ( 21.231 2.689 0.000) 21.400 20.682 ( -19.370 -4.437 0.000) 19.871 20.991 ( 8.435 -1.706 0.000) 8.606 21.209 ( -12.349 -1.090 0.000) 12.397 22.118 ( 3.802 -26.677 0.000) 26.947 22.233 ( -7.564 -27.848 0.000) 28.857 22.738 ( 5.412 -0.757 0.000) 5.465 22.782 ( 0.193 5.978 0.000) 5.982 23.432 ( 3.280 -13.172 0.000) 13.574 23.498 ( -3.635 -9.539 0.000) 10.208 23.641 ( 4.228 -2.014 0.000) 4.684 23.721 ( -4.123 -2.479 0.000) 4.811 25.808 ( 8.738 2.448 0.000) 9.074 26.024 ( -13.646 3.700 0.000) 14.138 26.458 ( 8.563 -1.764 0.000) 8.743 26.565 ( -2.369 -1.665 0.000) 2.895 28.030 ( 7.346 0.297 0.000) 7.352 28.192 ( -8.381 -2.137 0.000) 8.649 28.590 ( 2.302 12.061 0.000) 12.278 28.754 ( -11.787 9.621 0.000) 15.215 29.828 ( 12.437 -6.913 0.000) 14.229 30.063 ( -13.127 -8.325 0.000) 15.544 30.965 ( 12.562 11.084 0.000) 16.753 31.100 ( -1.611 6.544 0.000) 6.739 31.376 ( 3.551 11.239 0.000) 11.786 31.486 ( -3.217 14.068 0.000) 14.431 31.770 ( 10.859 -6.078 0.000) 12.444 32.059 ( -16.337 -1.906 0.000) 16.448 33.256 ( 5.324 22.861 0.000) 23.473 33.375 ( -7.693 20.385 0.000) 21.788 34.786 ( 8.070 18.401 0.000) 20.093 34.919 ( -5.452 13.760 0.000) 14.801 36.518 ( 24.518 -33.323 0.000) 41.371 36.914 ( -17.665 -43.069 0.000) 46.551 ======================= Grid point 20 (13/126) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 0.000 3.712 0.000) 3.712 2.482 ( 0.000 -0.610 0.000) 0.610 2.628 ( 0.000 4.876 0.000) 4.876 2.894 ( 0.000 16.117 0.000) 16.117 3.324 ( 0.000 -7.990 0.000) 7.990 3.568 ( 0.000 4.296 0.000) 4.296 4.762 ( 0.000 21.670 0.000) 21.670 5.310 ( 0.000 24.071 0.000) 24.071 6.124 ( 0.000 4.152 0.000) 4.152 6.362 ( 0.000 -19.151 0.000) 19.151 6.439 ( 0.000 15.828 0.000) 15.828 6.736 ( 0.000 -4.605 0.000) 4.605 7.224 ( 0.000 0.395 0.000) 0.395 7.917 ( 0.000 0.690 0.000) 0.690 8.370 ( 0.000 37.891 0.000) 37.891 8.715 ( 0.000 11.233 0.000) 11.233 9.221 ( 0.000 52.323 0.000) 52.323 10.100 ( 0.000 31.388 0.000) 31.388 10.843 ( 0.000 -20.954 0.000) 20.954 10.934 ( 0.000 13.190 0.000) 13.190 11.787 ( 0.000 -1.185 0.000) 1.185 12.046 ( 0.000 6.824 0.000) 6.824 12.155 ( 0.000 -5.845 0.000) 5.845 12.940 ( 0.000 -15.150 0.000) 15.150 13.180 ( 0.000 -14.736 0.000) 14.736 13.188 ( 0.000 -23.793 0.000) 23.793 13.646 ( 0.000 -16.826 0.000) 16.826 14.837 ( 0.000 15.381 0.000) 15.381 15.455 ( 0.000 4.723 0.000) 4.723 15.622 ( 0.000 -2.151 0.000) 2.151 16.199 ( 0.000 5.399 0.000) 5.399 16.418 ( 0.000 -6.345 0.000) 6.345 17.079 ( 0.000 1.499 0.000) 1.499 17.606 ( 0.000 13.447 0.000) 13.447 18.170 ( 0.000 -19.345 0.000) 19.345 18.606 ( 0.000 0.865 0.000) 0.865 18.915 ( 0.000 -17.012 0.000) 17.012 19.446 ( 0.000 11.407 0.000) 11.407 20.244 ( 0.000 -19.543 0.000) 19.543 20.658 ( 0.000 17.054 0.000) 17.054 20.878 ( 0.000 -22.917 0.000) 22.917 21.458 ( 0.000 -0.734 0.000) 0.734 21.662 ( 0.000 -18.900 0.000) 18.900 21.866 ( 0.000 -21.981 0.000) 21.981 22.382 ( 0.000 -1.254 0.000) 1.254 22.936 ( 0.000 6.685 0.000) 6.685 23.148 ( 0.000 -5.795 0.000) 5.795 23.520 ( 0.000 -1.685 0.000) 1.685 23.570 ( 0.000 0.858 0.000) 0.858 23.757 ( 0.000 -2.143 0.000) 2.143 25.785 ( 0.000 6.185 0.000) 6.185 26.206 ( 0.000 4.979 0.000) 4.979 26.382 ( 0.000 -8.689 0.000) 8.689 26.538 ( 0.000 0.828 0.000) 0.828 27.666 ( 0.000 -7.668 0.000) 7.668 28.353 ( 0.000 5.801 0.000) 5.801 29.036 ( 0.000 0.370 0.000) 0.370 29.213 ( 0.000 7.230 0.000) 7.230 29.494 ( 0.000 1.791 0.000) 1.791 30.393 ( 0.000 -4.249 0.000) 4.249 30.706 ( 0.000 7.329 0.000) 7.329 30.885 ( 0.000 -4.148 0.000) 4.148 31.213 ( 0.000 -1.252 0.000) 1.252 31.659 ( 0.000 9.068 0.000) 9.068 31.997 ( 0.000 7.782 0.000) 7.782 32.396 ( 0.000 -3.320 0.000) 3.320 33.618 ( 0.000 21.119 0.000) 21.119 33.978 ( 0.000 23.596 0.000) 23.596 34.743 ( 0.000 -8.289 0.000) 8.289 34.940 ( 0.000 12.455 0.000) 12.455 35.891 ( 0.000 -13.983 0.000) 13.983 36.412 ( 0.000 -25.911 0.000) 25.911 ======================= Grid point 21 (14/126) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 1.905 3.027 0.000) 3.576 2.460 ( -2.290 -0.446 0.000) 2.333 2.644 ( 1.687 5.550 0.000) 5.801 2.862 ( -3.431 15.546 0.000) 15.920 3.339 ( 1.987 -7.174 0.000) 7.444 3.552 ( -1.985 2.569 0.000) 3.247 4.860 ( 10.414 19.997 0.000) 22.546 5.314 ( 1.681 19.412 0.000) 19.485 5.946 ( -19.929 -0.539 0.000) 19.937 6.128 ( -15.320 14.053 0.000) 20.789 6.591 ( -6.621 -4.330 0.000) 7.911 6.666 ( 13.187 -5.564 0.000) 14.313 7.407 ( 14.591 5.348 0.000) 15.540 7.805 ( -11.011 15.931 0.000) 19.366 8.462 ( 7.662 15.689 0.000) 17.460 8.767 ( 2.955 10.821 0.000) 11.217 9.379 ( 17.258 52.890 0.000) 55.635 10.115 ( 0.748 35.442 0.000) 35.450 10.889 ( 4.595 -18.137 0.000) 18.710 10.996 ( 6.882 12.674 0.000) 14.422 11.655 ( -15.004 -1.988 0.000) 15.135 11.924 ( -7.576 2.515 0.000) 7.982 12.172 ( -4.354 -4.823 0.000) 6.497 12.714 ( -8.020 -17.025 0.000) 18.820 13.065 ( -4.309 -19.265 0.000) 19.741 13.309 ( -10.522 -17.917 0.000) 20.779 13.820 ( 22.921 -15.131 0.000) 27.465 14.813 ( -3.907 14.551 0.000) 15.067 15.441 ( -1.339 -0.526 0.000) 1.439 15.591 ( -4.116 2.330 0.000) 4.729 16.265 ( 9.540 7.851 0.000) 12.355 16.535 ( 11.497 -9.375 0.000) 14.835 17.116 ( 2.112 -1.751 0.000) 2.744 17.436 ( -16.380 11.079 0.000) 19.775 18.160 ( -0.525 -9.351 0.000) 9.366 18.564 ( -8.299 -1.464 0.000) 8.427 18.947 ( 9.412 -12.259 0.000) 15.455 19.619 ( 12.121 2.863 0.000) 12.454 20.092 ( -10.066 -14.995 0.000) 18.060 20.742 ( -0.588 1.563 0.000) 1.670 20.837 ( 2.021 -11.577 0.000) 11.752 21.400 ( -4.695 1.408 0.000) 4.902 21.660 ( -1.477 -15.506 0.000) 15.576 21.827 ( -4.202 -20.903 0.000) 21.321 22.480 ( 10.328 -3.825 0.000) 11.014 22.965 ( 1.764 9.251 0.000) 9.417 23.140 ( -0.090 -9.633 0.000) 9.633 23.489 ( -4.524 -1.492 0.000) 4.764 23.568 ( 1.282 -0.026 0.000) 1.282 23.738 ( -2.027 -1.849 0.000) 2.744 25.789 ( 1.362 5.426 0.000) 5.594 26.257 ( -9.317 -4.189 0.000) 10.216 26.305 ( 6.995 1.510 0.000) 7.156 26.568 ( 2.377 1.958 0.000) 3.080 27.773 ( 10.023 -7.371 0.000) 12.442 28.303 ( -5.344 3.564 0.000) 6.424 28.908 ( -9.825 5.378 0.000) 11.201 29.145 ( -7.160 9.198 0.000) 11.656 29.549 ( 4.992 -3.373 0.000) 6.024 30.161 ( -17.169 -7.654 0.000) 18.798 30.880 ( 14.618 7.202 0.000) 16.296 31.048 ( 10.856 0.128 0.000) 10.857 31.330 ( 13.436 -2.609 0.000) 13.687 31.629 ( -2.667 9.444 0.000) 9.813 31.936 ( -6.732 8.384 0.000) 10.752 32.286 ( -11.214 -2.745 0.000) 11.545 33.644 ( 2.807 21.225 0.000) 21.410 33.927 ( -4.898 23.700 0.000) 24.201 34.838 ( 8.548 -8.369 0.000) 11.963 34.991 ( 4.680 9.832 0.000) 10.889 35.908 ( 2.373 -15.105 0.000) 15.291 36.354 ( -6.270 -25.264 0.000) 26.030 ======================= Grid point 22 (15/126) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 3.490 1.375 0.000) 3.751 2.403 ( -3.673 0.027 0.000) 3.673 2.693 ( 3.751 8.338 0.000) 9.143 2.778 ( -5.133 12.514 0.000) 13.526 3.402 ( 4.613 -4.428 0.000) 6.394 3.491 ( -4.493 -0.934 0.000) 4.589 5.132 ( 18.611 14.322 0.000) 23.484 5.421 ( 9.038 9.046 0.000) 12.787 5.534 ( -20.431 11.724 0.000) 23.556 5.752 ( -21.841 12.835 0.000) 25.333 6.660 ( 10.312 2.770 0.000) 10.677 6.802 ( -1.018 0.316 0.000) 1.066 7.593 ( 4.045 11.409 0.000) 12.105 7.635 ( -4.646 16.962 0.000) 17.587 8.609 ( 8.793 5.018 0.000) 10.124 8.752 ( -5.069 7.085 0.000) 8.711 9.769 ( 21.303 50.157 0.000) 54.493 10.059 ( -8.862 44.636 0.000) 45.507 11.033 ( 11.899 -14.321 0.000) 18.620 11.183 ( 11.903 16.021 0.000) 19.959 11.343 ( -14.473 -8.187 0.000) 16.628 11.586 ( -24.179 -0.078 0.000) 24.179 12.285 ( 16.240 -8.354 0.000) 18.263 12.598 ( -12.242 -9.934 0.000) 15.765 12.993 ( -1.064 -24.499 0.000) 24.522 13.073 ( -9.450 -24.477 0.000) 26.238 14.275 ( 23.738 -4.019 0.000) 24.075 14.643 ( -15.137 7.149 0.000) 16.741 15.431 ( 1.068 -0.295 0.000) 1.108 15.491 ( -5.230 2.599 0.000) 5.840 16.562 ( 20.373 9.008 0.000) 22.275 16.761 ( 8.305 -8.541 0.000) 11.913 17.080 ( -7.819 -6.792 0.000) 10.357 17.093 ( -15.148 5.362 0.000) 16.069 18.196 ( 5.537 1.140 0.000) 5.653 18.360 ( -11.342 1.839 0.000) 11.491 19.227 ( 18.367 -13.150 0.000) 22.590 19.564 ( -16.248 -11.326 0.000) 19.806 20.186 ( 17.945 -8.558 0.000) 19.881 20.528 ( -16.996 -13.112 0.000) 21.467 21.024 ( 12.906 5.710 0.000) 14.113 21.260 ( -11.331 5.324 0.000) 12.520 21.654 ( 2.317 -15.846 0.000) 16.014 21.733 ( -5.353 -18.481 0.000) 19.241 22.711 ( 13.034 -3.333 0.000) 13.453 22.913 ( -7.930 3.593 0.000) 8.706 23.207 ( 7.379 -7.055 0.000) 10.209 23.363 ( -8.478 -2.978 0.000) 8.986 23.618 ( 3.598 -0.679 0.000) 3.662 23.686 ( -3.505 -1.246 0.000) 3.720 25.862 ( 6.855 2.729 0.000) 7.378 26.037 ( -11.693 -1.569 0.000) 11.797 26.477 ( 8.800 2.373 0.000) 9.115 26.582 ( -2.035 2.632 0.000) 3.327 27.972 ( 10.633 -4.735 0.000) 11.640 28.160 ( -9.674 -0.886 0.000) 9.714 28.822 ( 2.377 10.082 0.000) 10.359 28.966 ( -10.949 10.558 0.000) 15.210 29.672 ( 8.617 -8.024 0.000) 11.775 29.873 ( -13.386 -9.539 0.000) 16.437 31.135 ( 9.949 5.421 0.000) 11.330 31.183 ( 3.690 2.750 0.000) 4.602 31.609 ( 3.174 9.701 0.000) 10.207 31.662 ( 19.439 -2.402 0.000) 19.587 31.762 ( -10.892 10.356 0.000) 15.030 32.015 ( -17.515 -2.045 0.000) 17.634 33.718 ( 5.021 21.927 0.000) 22.495 33.822 ( -6.049 23.075 0.000) 23.855 34.990 ( 6.682 -3.935 0.000) 7.754 35.053 ( 0.400 2.368 0.000) 2.401 36.006 ( 8.562 -18.789 0.000) 20.648 36.194 ( -10.478 -22.961 0.000) 25.239 ======================= Grid point 25 (16/126) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 0.000 0.794 0.000) 0.794 2.462 ( 0.000 -0.731 0.000) 0.731 2.680 ( 0.000 0.919 0.000) 0.919 3.147 ( 0.000 7.205 0.000) 7.205 3.209 ( 0.000 -2.969 0.000) 2.969 3.601 ( 0.000 -0.026 0.000) 0.026 5.137 ( 0.000 12.453 0.000) 12.453 5.548 ( 0.000 2.371 0.000) 2.371 6.012 ( 0.000 -12.171 0.000) 12.171 6.303 ( 0.000 8.989 0.000) 8.989 6.693 ( 0.000 -0.351 0.000) 0.351 6.710 ( 0.000 8.125 0.000) 8.125 7.215 ( 0.000 -0.536 0.000) 0.536 7.944 ( 0.000 1.170 0.000) 1.170 8.786 ( 0.000 0.337 0.000) 0.337 8.976 ( 0.000 17.970 0.000) 17.970 10.053 ( 0.000 23.020 0.000) 23.020 10.138 ( 0.000 -13.556 0.000) 13.556 11.055 ( 0.000 0.190 0.000) 0.190 11.197 ( 0.000 40.682 0.000) 40.682 11.908 ( 0.000 -23.126 0.000) 23.126 11.946 ( 0.000 -7.765 0.000) 7.765 12.027 ( 0.000 24.538 0.000) 24.538 12.668 ( 0.000 -31.042 0.000) 31.042 12.774 ( 0.000 -11.846 0.000) 11.846 12.861 ( 0.000 0.758 0.000) 0.758 13.399 ( 0.000 -6.586 0.000) 6.586 15.055 ( 0.000 5.045 0.000) 5.045 15.537 ( 0.000 2.636 0.000) 2.636 15.633 ( 0.000 1.488 0.000) 1.488 16.297 ( 0.000 3.067 0.000) 3.067 16.331 ( 0.000 -2.006 0.000) 2.006 17.260 ( 0.000 14.632 0.000) 14.632 17.735 ( 0.000 -20.973 0.000) 20.973 17.916 ( 0.000 15.640 0.000) 15.640 18.404 ( 0.000 -17.563 0.000) 17.563 18.754 ( 0.000 0.393 0.000) 0.393 19.716 ( 0.000 13.523 0.000) 13.523 19.916 ( 0.000 -9.870 0.000) 9.870 20.372 ( 0.000 -21.196 0.000) 21.196 20.955 ( 0.000 10.349 0.000) 10.349 21.400 ( 0.000 -8.125 0.000) 8.125 21.450 ( 0.000 -0.830 0.000) 0.830 21.574 ( 0.000 -6.197 0.000) 6.197 22.364 ( 0.000 -0.463 0.000) 0.463 22.924 ( 0.000 -2.845 0.000) 2.845 23.191 ( 0.000 4.522 0.000) 4.522 23.477 ( 0.000 -1.979 0.000) 1.979 23.596 ( 0.000 1.057 0.000) 1.057 23.722 ( 0.000 -1.081 0.000) 1.081 25.940 ( 0.000 8.009 0.000) 8.009 26.192 ( 0.000 -8.910 0.000) 8.910 26.274 ( 0.000 1.628 0.000) 1.628 26.559 ( 0.000 0.851 0.000) 0.851 27.546 ( 0.000 -3.335 0.000) 3.335 28.448 ( 0.000 2.822 0.000) 2.822 29.040 ( 0.000 0.096 0.000) 0.096 29.328 ( 0.000 3.228 0.000) 3.228 29.506 ( 0.000 -0.038 0.000) 0.038 30.320 ( 0.000 -2.190 0.000) 2.190 30.788 ( 0.000 0.474 0.000) 0.474 30.846 ( 0.000 0.618 0.000) 0.618 31.191 ( 0.000 -0.632 0.000) 0.632 31.778 ( 0.000 2.778 0.000) 2.778 32.116 ( 0.000 3.167 0.000) 3.167 32.334 ( 0.000 -1.889 0.000) 1.889 33.971 ( 0.000 11.568 0.000) 11.568 34.553 ( 0.000 31.617 0.000) 31.617 34.567 ( 0.000 -7.145 0.000) 7.145 35.115 ( 0.000 4.388 0.000) 4.388 35.272 ( 0.000 -36.023 0.000) 36.023 36.247 ( 0.000 -0.432 0.000) 0.432 ======================= Grid point 26 (17/126) ======================= q-point: ( 0.20 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 1.020 0.606 0.000) 1.186 2.443 ( -1.999 -0.647 0.000) 2.101 2.707 ( 3.130 1.257 0.000) 3.373 3.095 ( -6.191 5.926 0.000) 8.570 3.242 ( 4.419 -1.931 0.000) 4.822 3.572 ( -3.306 -0.002 0.000) 3.306 5.186 ( 5.270 10.138 0.000) 11.426 5.459 ( -5.648 -0.558 0.000) 5.676 5.964 ( -8.631 -2.000 0.000) 8.859 6.278 ( -14.420 4.923 0.000) 15.237 6.584 ( 3.269 1.619 0.000) 3.648 6.688 ( 5.469 3.734 0.000) 6.622 7.502 ( 21.889 3.513 0.000) 22.169 7.978 ( -0.262 2.962 0.000) 2.974 8.747 ( -6.698 8.088 0.000) 10.502 8.860 ( -7.060 1.831 0.000) 7.294 10.234 ( 18.632 22.547 0.000) 29.249 10.298 ( 14.916 -6.960 0.000) 16.460 11.039 ( -1.694 7.088 0.000) 7.287 11.250 ( 5.011 28.464 0.000) 28.902 11.779 ( -12.231 5.131 0.000) 13.264 11.827 ( -14.433 -5.336 0.000) 15.388 12.115 ( 5.121 1.204 0.000) 5.261 12.321 ( -10.200 -14.968 0.000) 18.113 12.632 ( -4.694 -27.332 0.000) 27.732 13.073 ( -23.610 -0.533 0.000) 23.616 13.566 ( 35.108 -8.806 0.000) 36.195 15.050 ( -4.579 7.003 0.000) 8.367 15.444 ( -5.939 1.501 0.000) 6.126 15.591 ( -5.520 -3.172 0.000) 6.367 16.394 ( 11.512 3.092 0.000) 11.920 16.468 ( 13.600 1.801 0.000) 13.719 17.220 ( -5.559 11.930 0.000) 13.162 17.524 ( -16.957 -8.361 0.000) 18.906 18.037 ( 7.617 4.123 0.000) 8.661 18.365 ( -4.017 -14.991 0.000) 15.520 18.838 ( 9.268 0.129 0.000) 9.269 19.717 ( -10.825 1.675 0.000) 10.954 19.848 ( 4.622 -1.086 0.000) 4.748 20.333 ( -4.288 -19.489 0.000) 19.955 21.005 ( 5.246 7.968 0.000) 9.540 21.405 ( 0.646 -2.118 0.000) 2.214 21.471 ( 0.022 -4.135 0.000) 4.135 21.555 ( -1.962 -5.145 0.000) 5.507 22.421 ( 7.133 -1.619 0.000) 7.314 22.971 ( 3.739 -3.800 0.000) 5.331 23.137 ( -4.821 4.211 0.000) 6.401 23.465 ( -2.877 -0.956 0.000) 3.031 23.576 ( -0.460 0.519 0.000) 0.694 23.709 ( -1.472 -0.874 0.000) 1.712 25.917 ( -1.555 6.215 0.000) 6.406 26.118 ( -6.700 -6.606 0.000) 9.409 26.350 ( 7.603 1.156 0.000) 7.691 26.613 ( 4.051 1.611 0.000) 4.360 27.651 ( 10.471 -3.552 0.000) 11.057 28.363 ( -8.852 1.754 0.000) 9.024 28.989 ( -4.020 2.233 0.000) 4.598 29.318 ( -2.368 7.246 0.000) 7.623 29.463 ( -2.557 -4.871 0.000) 5.502 30.031 ( -20.570 -3.957 0.000) 20.947 30.977 ( 13.070 2.328 0.000) 13.276 31.056 ( 15.495 0.377 0.000) 15.500 31.285 ( 11.900 -1.299 0.000) 11.971 31.760 ( -1.510 3.248 0.000) 3.582 32.062 ( -5.796 3.330 0.000) 6.684 32.236 ( -10.155 -1.526 0.000) 10.269 34.008 ( 4.087 12.407 0.000) 13.063 34.463 ( -7.927 25.791 0.000) 26.982 34.639 ( 6.028 -6.210 0.000) 8.655 35.015 ( -6.556 -14.338 0.000) 15.765 35.452 ( 14.387 -14.107 0.000) 20.149 36.183 ( -6.838 -0.742 0.000) 6.878 ======================= Grid point 27 (18/126) ======================= q-point: ( 0.40 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 2.240 0.121 0.000) 2.243 2.395 ( -2.909 -0.368 0.000) 2.932 2.800 ( 6.867 2.350 0.000) 7.258 2.949 ( -8.786 3.901 0.000) 9.613 3.353 ( 6.977 -0.646 0.000) 7.006 3.480 ( -6.401 -0.181 0.000) 6.403 5.320 ( 8.369 4.211 0.000) 9.369 5.414 ( -0.730 -2.219 0.000) 2.336 5.776 ( -6.202 5.716 0.000) 8.435 5.902 ( -18.257 3.636 0.000) 18.615 6.785 ( 11.417 5.791 0.000) 12.801 6.847 ( 5.891 2.646 0.000) 6.458 7.802 ( 8.209 7.768 0.000) 11.302 7.901 ( -5.820 6.903 0.000) 9.029 8.641 ( 1.125 0.562 0.000) 1.258 8.754 ( -7.095 -3.581 0.000) 7.948 10.606 ( 16.567 -0.335 0.000) 16.571 10.619 ( 17.034 23.613 0.000) 29.115 10.991 ( -2.267 13.344 0.000) 13.535 11.185 ( -19.624 -1.403 0.000) 19.674 11.546 ( 5.998 19.654 0.000) 20.549 11.705 ( -6.285 9.805 0.000) 11.647 12.177 ( 7.167 0.439 0.000) 7.180 12.359 ( 4.954 -17.458 0.000) 18.147 12.504 ( -12.279 -28.311 0.000) 30.859 12.562 ( -20.331 -10.400 0.000) 22.837 14.220 ( 33.839 -1.730 0.000) 33.883 14.771 ( -24.630 4.086 0.000) 24.967 15.412 ( 1.817 -1.045 0.000) 2.096 15.480 ( -5.295 -2.679 0.000) 5.935 16.689 ( 18.517 2.524 0.000) 18.688 16.782 ( 18.769 6.457 0.000) 19.849 17.030 ( -14.172 4.386 0.000) 14.835 17.175 ( -20.252 -1.521 0.000) 20.309 18.163 ( 6.266 -1.513 0.000) 6.446 18.272 ( -5.660 -8.509 0.000) 10.220 19.080 ( 16.235 -1.273 0.000) 16.285 19.408 ( -18.635 -2.999 0.000) 18.875 20.029 ( 11.224 -3.620 0.000) 11.794 20.215 ( -8.495 -13.110 0.000) 15.622 21.147 ( 9.990 3.956 0.000) 10.744 21.340 ( -9.236 0.925 0.000) 9.282 21.471 ( 1.925 -3.131 0.000) 3.676 21.514 ( -2.378 -3.363 0.000) 4.119 22.631 ( 14.430 -2.922 0.000) 14.723 22.891 ( -12.195 -2.781 0.000) 12.508 23.174 ( 8.500 1.172 0.000) 8.580 23.346 ( -8.971 0.175 0.000) 8.973 23.609 ( 3.142 -0.181 0.000) 3.147 23.668 ( -2.897 -0.483 0.000) 2.937 25.916 ( 1.949 2.300 0.000) 3.015 25.992 ( -6.065 -2.232 0.000) 6.463 26.517 ( 9.229 1.138 0.000) 9.299 26.637 ( -2.657 1.881 0.000) 3.255 27.888 ( 14.206 -2.560 0.000) 14.435 28.149 ( -13.591 -0.269 0.000) 13.593 28.981 ( 4.845 4.640 0.000) 6.708 29.159 ( -12.431 7.074 0.000) 14.303 29.518 ( 7.546 -5.970 0.000) 9.622 29.711 ( -13.623 -5.070 0.000) 14.536 31.199 ( 7.928 1.274 0.000) 8.030 31.223 ( 4.203 1.048 0.000) 4.331 31.614 ( 19.750 -1.078 0.000) 19.780 31.760 ( 2.719 3.751 0.000) 4.633 31.917 ( -8.807 4.038 0.000) 9.688 31.986 ( -15.991 -0.721 0.000) 16.007 34.121 ( 7.979 15.324 0.000) 17.277 34.290 ( -9.955 20.595 0.000) 22.875 34.767 ( 7.333 -11.853 0.000) 13.938 34.896 ( -6.587 -16.036 0.000) 17.336 35.737 ( 15.647 -5.128 0.000) 16.466 36.002 ( -12.575 -1.913 0.000) 12.720 ======================= Grid point 55 (19/126) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 0.000 0.000 40.053) 40.053 1.017 ( 0.000 0.000 48.900) 48.900 1.657 ( 0.000 0.000 70.700) 70.700 1.891 ( 0.000 0.000 6.667) 6.667 2.210 ( 0.000 0.000 12.867) 12.867 3.148 ( 0.000 0.000 10.718) 10.718 3.933 ( 0.000 0.000 -5.215) 5.215 4.008 ( 0.000 0.000 5.691) 5.691 4.887 ( 0.000 0.000 14.754) 14.754 5.320 ( 0.000 0.000 18.039) 18.039 5.538 ( 0.000 0.000 31.910) 31.910 6.849 ( 0.000 0.000 0.958) 0.958 7.084 ( 0.000 0.000 -6.757) 6.757 7.553 ( 0.000 0.000 -6.809) 6.809 7.868 ( 0.000 0.000 -19.309) 19.309 7.872 ( 0.000 0.000 -5.801) 5.801 8.567 ( 0.000 0.000 -4.774) 4.774 9.261 ( 0.000 0.000 37.339) 37.339 9.388 ( 0.000 0.000 1.413) 1.413 10.287 ( 0.000 0.000 1.858) 1.858 11.635 ( 0.000 0.000 -9.528) 9.528 12.274 ( 0.000 0.000 -3.114) 3.114 12.531 ( 0.000 0.000 2.880) 2.880 12.798 ( 0.000 0.000 -1.564) 1.564 14.129 ( 0.000 0.000 -11.307) 11.307 14.311 ( 0.000 0.000 -10.162) 10.162 14.345 ( 0.000 0.000 -4.367) 4.367 14.522 ( 0.000 0.000 -1.024) 1.024 15.503 ( 0.000 0.000 18.210) 18.210 15.855 ( 0.000 0.000 -5.020) 5.020 16.388 ( 0.000 0.000 1.796) 1.796 17.530 ( 0.000 0.000 0.597) 0.597 17.542 ( 0.000 0.000 6.633) 6.633 17.792 ( 0.000 0.000 5.256) 5.256 18.254 ( 0.000 0.000 -0.874) 0.874 18.445 ( 0.000 0.000 -19.271) 19.271 19.123 ( 0.000 0.000 -12.069) 12.069 19.126 ( 0.000 0.000 5.395) 5.395 19.206 ( 0.000 0.000 14.494) 14.494 20.971 ( 0.000 0.000 -9.063) 9.063 21.093 ( 0.000 0.000 -6.915) 6.915 21.258 ( 0.000 0.000 -10.640) 10.640 22.474 ( 0.000 0.000 6.359) 6.359 22.987 ( 0.000 0.000 -24.335) 24.335 23.204 ( 0.000 0.000 -22.094) 22.094 23.391 ( 0.000 0.000 -9.318) 9.318 23.747 ( 0.000 0.000 0.486) 0.486 23.910 ( 0.000 0.000 11.492) 11.492 24.183 ( 0.000 0.000 8.537) 8.537 25.333 ( 0.000 0.000 -13.383) 13.383 25.691 ( 0.000 0.000 -16.133) 16.133 25.883 ( 0.000 0.000 -23.893) 23.893 26.224 ( 0.000 0.000 17.595) 17.595 27.184 ( 0.000 0.000 4.520) 4.520 27.551 ( 0.000 0.000 -14.244) 14.244 27.705 ( 0.000 0.000 10.659) 10.659 28.422 ( 0.000 0.000 24.170) 24.170 28.802 ( 0.000 0.000 5.922) 5.922 29.410 ( 0.000 0.000 7.388) 7.388 29.900 ( 0.000 0.000 3.962) 3.962 30.315 ( 0.000 0.000 -5.133) 5.133 30.533 ( 0.000 0.000 -2.862) 2.862 30.571 ( 0.000 0.000 5.474) 5.474 31.680 ( 0.000 0.000 -2.849) 2.849 32.022 ( 0.000 0.000 4.723) 4.723 32.510 ( 0.000 0.000 7.411) 7.411 32.537 ( 0.000 0.000 15.527) 15.527 32.567 ( 0.000 0.000 10.680) 10.680 33.662 ( 0.000 0.000 18.557) 18.557 35.101 ( 0.000 0.000 1.096) 1.096 36.522 ( 0.000 0.000 -2.022) 2.022 38.967 ( 0.000 0.000 -22.829) 22.829 ======================= Grid point 56 (20/126) ======================= q-point: ( 0.20 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 22.547 0.000 22.114) 31.582 1.298 ( 18.170 0.000 30.392) 35.410 1.804 ( 8.238 0.000 13.252) 15.604 2.087 ( 37.851 0.000 48.987) 61.906 2.273 ( 6.797 0.000 13.161) 14.813 3.144 ( 0.717 0.000 13.360) 13.379 3.856 ( -8.771 0.000 -2.396) 9.092 4.081 ( 3.050 0.000 19.107) 19.349 4.681 ( -17.377 0.000 13.868) 22.232 5.335 ( -19.799 0.000 29.902) 35.863 5.450 ( 11.011 0.000 4.797) 12.010 6.859 ( 2.529 0.000 2.409) 3.492 6.958 ( -19.553 0.000 -11.714) 22.794 7.254 ( -18.324 0.000 -0.706) 18.338 7.933 ( 4.894 0.000 -4.498) 6.647 8.021 ( 7.844 0.000 -10.430) 13.051 8.691 ( 11.956 0.000 -3.690) 12.513 9.074 ( -5.853 0.000 25.183) 25.855 9.664 ( 15.637 0.000 3.956) 16.130 10.214 ( -6.107 0.000 3.349) 6.965 11.668 ( 3.597 0.000 -7.968) 8.742 12.248 ( -4.731 0.000 -5.169) 7.007 12.431 ( -8.460 0.000 2.972) 8.967 12.685 ( -10.132 0.000 -2.123) 10.352 14.319 ( 1.131 0.000 -5.379) 5.496 14.377 ( 19.275 0.000 -9.753) 21.602 14.500 ( 3.087 0.000 -2.402) 3.911 14.516 ( 16.331 0.000 -9.194) 18.741 15.675 ( 14.684 0.000 16.191) 21.858 15.767 ( -5.972 0.000 -3.953) 7.162 16.236 ( -13.749 0.000 -0.659) 13.764 17.463 ( -26.152 0.000 5.425) 26.709 17.538 ( 0.099 0.000 7.358) 7.359 17.657 ( -16.012 0.000 -3.385) 16.366 17.899 ( 10.597 0.000 4.963) 11.701 18.688 ( -5.032 0.000 -0.870) 5.106 19.096 ( 0.655 0.000 1.747) 1.865 19.131 ( 0.724 0.000 -11.386) 11.409 19.587 ( 33.760 0.000 -3.579) 33.949 20.950 ( -13.244 0.000 -10.244) 16.743 20.996 ( 3.688 0.000 -8.717) 9.465 21.281 ( 0.181 0.000 -7.465) 7.468 22.462 ( -1.007 0.000 5.678) 5.766 22.800 ( -18.610 0.000 -1.127) 18.645 23.203 ( -0.110 0.000 -21.086) 21.087 23.239 ( -6.348 0.000 -6.121) 8.819 23.765 ( 1.917 0.000 1.583) 2.486 23.936 ( 0.811 0.000 10.319) 10.351 24.180 ( -0.261 0.000 8.493) 8.497 24.422 ( -31.798 0.000 28.378) 42.620 25.664 ( 2.168 0.000 -13.442) 13.616 25.862 ( -2.317 0.000 -22.939) 23.056 26.672 ( 14.545 0.000 -15.811) 21.483 27.262 ( 7.203 0.000 5.263) 8.921 27.385 ( -13.465 0.000 -7.912) 15.618 27.728 ( -1.805 0.000 4.981) 5.298 28.456 ( 4.151 0.000 20.882) 21.291 28.817 ( -2.907 0.000 5.484) 6.206 29.827 ( 19.277 0.000 -8.097) 20.909 30.004 ( 13.953 0.000 -5.470) 14.987 30.312 ( -2.300 0.000 -1.509) 2.751 30.492 ( -3.678 0.000 -2.652) 4.534 30.642 ( 8.470 0.000 1.636) 8.627 31.505 ( -15.906 0.000 3.519) 16.291 32.055 ( 3.323 0.000 6.152) 6.992 32.357 ( -10.213 0.000 17.964) 20.665 32.536 ( -0.067 0.000 15.002) 15.002 32.538 ( -0.346 0.000 10.094) 10.100 33.711 ( 5.191 0.000 19.214) 19.903 34.353 ( -26.954 0.000 33.827) 43.253 37.899 ( 61.529 0.000 -63.985) 88.769 38.933 ( -3.826 0.000 -24.273) 24.572 ======================= Grid point 57 (21/126) ======================= q-point: ( 0.40 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 8.200 0.000 7.061) 10.821 1.513 ( 4.273 0.000 7.029) 8.226 2.086 ( 20.464 0.000 12.148) 23.798 2.352 ( -4.138 0.000 8.283) 9.259 2.906 ( 41.572 0.000 23.298) 47.655 3.275 ( 12.828 0.000 21.087) 24.682 3.600 ( -15.761 0.000 8.272) 17.800 3.869 ( -26.852 0.000 24.802) 36.554 4.582 ( 10.933 0.000 18.743) 21.698 4.920 ( -22.644 0.000 25.018) 33.744 5.751 ( 23.765 0.000 1.301) 23.800 6.343 ( -38.301 0.000 -3.807) 38.489 6.943 ( 5.979 0.000 1.722) 6.222 7.063 ( -6.975 0.000 1.821) 7.209 8.023 ( 4.475 0.000 -2.118) 4.951 8.079 ( -0.873 0.000 -3.056) 3.178 8.924 ( 11.011 0.000 0.586) 11.027 9.039 ( -1.617 0.000 11.019) 11.137 9.904 ( 10.863 0.000 0.546) 10.877 10.081 ( -8.445 0.000 1.856) 8.646 11.782 ( 9.486 0.000 -6.075) 11.264 12.023 ( -15.737 0.000 -5.372) 16.629 12.391 ( 3.109 0.000 1.873) 3.629 12.501 ( -8.587 0.000 -0.568) 8.606 14.349 ( 2.141 0.000 -4.264) 4.771 14.398 ( -3.076 0.000 -3.339) 4.540 14.848 ( 16.589 0.000 -10.682) 19.730 14.906 ( 17.798 0.000 -12.949) 22.010 15.610 ( 0.734 0.000 -2.408) 2.517 15.904 ( -22.073 0.000 -5.424) 22.730 16.121 ( 28.252 0.000 14.232) 31.634 16.742 ( -39.205 0.000 10.300) 40.535 17.554 ( 1.598 0.000 7.303) 7.476 17.589 ( -1.895 0.000 4.620) 4.994 18.146 ( 15.539 0.000 5.743) 16.566 18.448 ( -16.496 0.000 6.815) 17.848 19.131 ( 1.636 0.000 -5.532) 5.769 19.142 ( 0.270 0.000 -9.301) 9.305 20.181 ( 28.805 0.000 -10.971) 30.824 20.636 ( -20.768 0.000 -12.063) 24.018 21.108 ( 7.556 0.000 -7.783) 10.848 21.234 ( -5.231 0.000 -6.348) 8.226 22.457 ( 1.204 0.000 5.497) 5.628 22.537 ( -8.458 0.000 7.825) 11.522 23.197 ( -0.279 0.000 -15.078) 15.081 23.199 ( -0.268 0.000 -18.698) 18.700 23.817 ( 3.727 0.000 4.823) 6.095 23.897 ( -4.402 0.000 9.629) 10.587 24.173 ( -0.448 0.000 8.466) 8.478 24.181 ( -2.654 0.000 10.601) 10.928 25.725 ( 4.092 0.000 -16.611) 17.108 25.802 ( -3.981 0.000 -20.242) 20.629 26.889 ( 11.568 0.000 -11.910) 16.603 27.125 ( -13.953 0.000 -8.370) 16.271 27.427 ( 10.301 0.000 5.553) 11.703 27.616 ( -9.291 0.000 5.160) 10.628 28.572 ( 7.805 0.000 14.800) 16.732 28.716 ( -7.242 0.000 9.798) 12.184 30.035 ( 9.363 0.000 1.510) 9.484 30.205 ( -8.464 0.000 1.880) 8.671 30.268 ( 10.686 0.000 -11.893) 15.988 30.409 ( -5.517 0.000 -7.226) 9.091 30.877 ( 15.861 0.000 2.144) 16.005 31.190 ( -17.480 0.000 4.659) 18.090 32.132 ( 4.721 0.000 9.610) 10.707 32.224 ( -5.452 0.000 14.205) 15.215 32.535 ( -0.058 0.000 11.566) 11.566 32.535 ( -0.057 0.000 13.548) 13.548 33.844 ( 8.963 0.000 21.263) 23.075 34.036 ( -12.181 0.000 25.497) 28.257 38.571 ( 20.249 0.000 -42.837) 47.382 38.820 ( -8.861 0.000 -29.641) 30.937 ======================= Grid point 60 (22/126) ======================= q-point: ( 0.00 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 24.506 15.632) 29.067 1.399 ( 0.000 30.723 31.512) 44.011 1.772 ( 0.000 15.329 31.234) 34.793 2.224 ( 0.000 34.232 27.225) 43.739 2.640 ( 0.000 10.973 3.992) 11.676 3.682 ( 0.000 36.187 -0.682) 36.193 3.833 ( 0.000 -6.909 -4.711) 8.362 4.098 ( 0.000 6.702 5.175) 8.467 5.204 ( 0.000 25.722 12.751) 28.709 5.266 ( 0.000 7.294 24.094) 25.174 5.688 ( 0.000 16.744 32.701) 36.738 6.851 ( 0.000 3.758 0.249) 3.767 7.086 ( 0.000 -5.217 -12.401) 13.454 7.426 ( 0.000 -8.401 -7.833) 11.486 7.624 ( 0.000 -13.620 -7.937) 15.764 7.977 ( 0.000 7.141 -2.264) 7.491 8.674 ( 0.000 -5.413 13.579) 14.618 9.378 ( 0.000 20.209 10.236) 22.654 9.416 ( 0.000 2.578 2.054) 3.297 10.504 ( 0.000 18.992 4.988) 19.636 11.637 ( 0.000 -0.215 -8.132) 8.135 12.259 ( 0.000 -2.231 -4.948) 5.428 12.534 ( 0.000 -0.255 2.120) 2.136 12.860 ( 0.000 6.108 1.466) 6.281 13.975 ( 0.000 -11.090 -11.717) 16.133 14.229 ( 0.000 -7.844 -9.619) 12.412 14.375 ( 0.000 -0.415 -4.577) 4.596 14.485 ( 0.000 -4.877 -1.140) 5.008 15.477 ( 0.000 -1.441 18.213) 18.270 15.849 ( 0.000 -2.192 -8.397) 8.678 16.376 ( 0.000 -1.481 4.116) 4.374 17.247 ( 0.000 -20.270 -1.627) 20.336 17.564 ( 0.000 -2.536 3.765) 4.539 17.565 ( 0.000 -15.738 -0.918) 15.765 18.394 ( 0.000 8.061 1.547) 8.208 18.515 ( 0.000 4.189 -15.094) 15.664 19.092 ( 0.000 1.295 7.469) 7.580 19.110 ( 0.000 2.192 8.266) 8.551 19.409 ( 0.000 14.851 -5.688) 15.903 20.929 ( 0.000 -3.524 -10.208) 10.799 21.261 ( 0.000 -0.004 -9.487) 9.487 21.319 ( 0.000 12.560 -13.221) 18.236 22.442 ( 0.000 -2.576 -0.066) 2.577 22.718 ( 0.000 -24.431 6.677) 25.327 22.973 ( 0.000 -2.671 -20.136) 20.313 23.421 ( 0.000 -5.082 -17.528) 18.250 23.629 ( 0.000 -8.237 2.735) 8.679 23.927 ( 0.000 -10.846 5.669) 12.239 23.937 ( 0.000 -0.515 12.999) 13.010 24.829 ( 0.000 -40.682 23.297) 46.881 25.684 ( 0.000 2.239 -8.944) 9.220 25.705 ( 0.000 1.722 -16.119) 16.211 26.355 ( 0.000 -0.615 -20.056) 20.065 26.903 ( 0.000 -18.359 2.704) 18.557 27.872 ( 0.000 7.887 6.893) 10.475 28.017 ( 0.000 13.856 -14.578) 20.112 28.788 ( 0.000 26.136 -1.467) 26.177 28.855 ( 0.000 5.445 8.910) 10.442 29.311 ( 0.000 -7.244 6.185) 9.525 29.887 ( 0.000 6.401 -1.949) 6.691 30.452 ( 0.000 6.726 -3.354) 7.516 30.595 ( 0.000 9.199 -4.372) 10.185 30.793 ( 0.000 14.677 12.019) 18.970 31.551 ( 0.000 -9.343 11.499) 14.816 32.095 ( 0.000 4.621 8.034) 9.268 32.355 ( 0.000 2.728 22.619) 22.783 32.472 ( 0.000 0.510 7.049) 7.068 33.200 ( 0.000 23.541 -25.553) 34.744 33.848 ( 0.000 16.059 14.873) 21.888 35.089 ( 0.000 -1.170 1.821) 2.164 36.042 ( 0.000 -23.740 18.922) 30.358 38.739 ( 0.000 -23.478 -19.318) 30.404 ======================= Grid point 61 (23/126) ======================= q-point: ( 0.20 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 15.477 17.518 8.106) 24.741 1.583 ( 16.367 22.131 22.535) 35.574 1.911 ( 8.687 11.898 14.521) 20.685 2.390 ( 14.611 20.013 25.229) 35.362 2.633 ( 6.998 20.595 12.059) 24.871 3.587 ( -1.581 34.060 8.887) 35.236 3.805 ( -5.179 -3.119 -2.594) 6.579 4.209 ( 8.362 10.695 15.066) 20.281 4.994 ( -19.624 26.809 12.224) 35.401 5.340 ( -3.462 3.795 22.826) 23.397 5.508 ( -7.131 13.236 21.597) 26.314 6.804 ( -14.287 -3.190 -0.059) 14.639 6.941 ( -6.250 -0.370 -11.695) 13.266 7.337 ( -6.293 3.799 2.375) 7.725 7.758 ( 9.860 -10.241 -4.744) 14.987 8.040 ( 5.668 1.498 -5.503) 8.040 8.790 ( 10.313 -4.027 12.017) 16.339 9.076 ( -12.000 9.366 8.389) 17.381 9.755 ( 17.527 10.812 1.269) 20.633 10.436 ( -6.534 18.528 3.537) 19.962 11.698 ( 5.574 2.451 -7.572) 9.716 12.244 ( -1.120 -2.624 -4.602) 5.415 12.396 ( -13.015 -1.555 0.787) 13.131 12.749 ( -10.145 5.966 1.228) 11.833 14.078 ( 6.405 -15.537 -9.990) 19.550 14.271 ( 2.287 -12.103 -7.696) 14.523 14.487 ( 13.211 -0.917 -2.301) 13.441 14.597 ( 14.212 1.127 -5.648) 15.335 15.638 ( 14.971 -3.111 15.994) 22.128 15.735 ( -10.364 -3.109 -6.713) 12.733 16.221 ( -14.227 -2.311 2.606) 14.647 17.089 ( -17.450 -16.058 0.292) 23.717 17.556 ( 0.115 -5.201 1.244) 5.349 17.684 ( 11.611 -9.974 4.376) 15.920 18.026 ( -17.151 13.106 0.504) 21.591 18.613 ( -8.294 -4.614 0.491) 9.504 19.098 ( 3.630 4.902 -3.256) 6.914 19.373 ( 4.843 14.484 -4.203) 15.840 19.556 ( 29.199 0.155 -1.993) 29.267 20.932 ( -1.349 -2.768 -10.125) 10.583 21.080 ( -12.186 4.207 -11.344) 17.172 21.346 ( -1.118 5.468 -6.195) 8.338 22.430 ( -1.235 -2.871 0.778) 3.220 22.593 ( -9.631 -14.377 7.023) 18.676 23.009 ( 2.588 -5.286 -20.062) 20.907 23.297 ( -7.896 -6.799 -14.786) 18.088 23.698 ( 4.392 -5.254 1.752) 7.068 23.882 ( -2.542 -6.362 7.155) 9.906 24.010 ( 5.069 -4.451 10.567) 12.536 24.540 ( -19.928 -12.116 23.895) 33.390 25.624 ( -1.569 -0.521 -15.161) 15.250 25.752 ( 0.569 -2.819 -15.622) 15.884 26.455 ( 7.991 -10.778 -16.951) 21.619 26.946 ( 3.595 -19.348 2.225) 19.805 27.718 ( -11.818 16.780 -3.641) 20.844 27.997 ( -2.457 13.503 -4.161) 14.341 28.529 ( -8.484 6.851 16.911) 20.122 28.853 ( -5.647 4.242 8.934) 11.389 29.679 ( 21.906 -8.088 -5.430) 23.975 30.037 ( 12.940 8.207 -4.559) 15.987 30.430 ( -3.157 4.498 -4.415) 7.049 30.656 ( 4.414 12.223 -0.094) 12.996 30.779 ( 0.959 12.676 5.801) 13.973 31.456 ( -9.644 -4.813 8.670) 13.832 32.129 ( 3.288 3.672 11.004) 12.058 32.340 ( -1.608 3.765 21.648) 22.032 32.488 ( 1.768 1.677 7.049) 7.459 32.933 ( -19.789 21.402 -7.473) 30.092 33.896 ( 5.040 16.115 15.354) 22.822 34.507 ( -23.697 14.159 25.152) 37.345 37.199 ( 65.398 -47.938 -29.773) 86.379 38.692 ( -5.184 -24.589 -19.905) 32.058 ======================= Grid point 62 (24/126) ======================= q-point: ( 0.40 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 8.608 11.957 -0.719) 14.751 1.765 ( 1.086 16.264 7.045) 17.758 2.140 ( 18.082 6.478 13.165) 23.286 2.416 ( -8.737 3.879 8.500) 12.792 3.082 ( 29.385 13.931 14.240) 35.501 3.558 ( -14.193 7.958 5.644) 17.223 3.810 ( 17.242 31.671 16.516) 39.663 4.239 ( -13.915 28.932 20.475) 38.078 4.701 ( 0.254 12.779 16.691) 21.023 4.976 ( -22.311 5.618 26.227) 34.888 5.744 ( 23.060 5.407 6.906) 24.671 6.294 ( -32.801 0.035 1.429) 32.832 6.942 ( 1.270 1.943 -4.104) 4.715 7.248 ( -2.768 11.393 6.610) 13.459 7.938 ( 9.029 -5.829 -2.251) 10.980 8.079 ( -2.838 -0.589 -3.552) 4.584 8.952 ( 4.887 -4.795 9.710) 11.881 8.982 ( 0.151 3.866 3.404) 5.153 10.038 ( 13.179 12.793 -0.229) 18.368 10.281 ( -9.939 16.850 1.585) 19.627 11.811 ( 5.854 2.260 -7.606) 9.860 12.118 ( -11.072 6.587 -1.513) 12.972 12.279 ( 1.657 -6.524 -3.500) 7.587 12.566 ( -7.478 3.800 3.488) 9.084 14.141 ( 1.282 -16.859 -8.230) 18.805 14.276 ( -0.514 -12.144 -4.523) 12.969 14.820 ( 17.823 -3.868 -7.064) 19.558 14.914 ( 12.777 -1.923 -8.891) 15.685 15.527 ( -6.219 -7.040 -3.076) 9.884 15.782 ( -12.085 -10.181 4.584) 16.454 16.138 ( 17.490 2.831 6.159) 18.757 16.661 ( -25.820 -4.502 6.627) 27.035 17.551 ( -0.297 5.103 -0.675) 5.156 17.793 ( -3.413 4.055 6.115) 8.093 18.006 ( 16.582 -8.867 6.983) 20.058 18.344 ( -17.938 -6.482 7.197) 20.386 19.176 ( 3.370 8.379 -10.501) 13.850 19.367 ( -1.722 13.278 -3.882) 13.940 20.152 ( 29.850 -1.616 -9.051) 31.234 20.664 ( -22.181 2.134 -11.591) 25.118 21.078 ( 5.757 -3.755 -7.691) 10.315 21.279 ( -5.098 3.449 -2.497) 6.642 22.399 ( -1.675 -6.464 5.813) 8.854 22.474 ( -2.654 -2.625 -1.685) 4.095 23.046 ( 1.210 -5.289 -21.055) 21.743 23.201 ( -2.593 -9.913 -14.042) 17.383 23.770 ( 3.530 -3.982 3.853) 6.570 23.831 ( -3.049 -4.876 6.149) 8.419 24.114 ( 6.215 -3.427 11.400) 13.429 24.268 ( -10.144 -2.998 17.822) 20.725 25.613 ( -0.087 -5.954 -18.266) 19.212 25.747 ( -0.450 -3.095 -16.140) 16.441 26.587 ( 4.937 -14.263 -14.215) 20.733 26.990 ( 0.637 -19.043 1.477) 19.111 27.572 ( -3.323 17.816 -7.027) 19.438 27.912 ( -4.650 16.614 4.631) 17.863 28.502 ( 2.770 -6.773 11.354) 13.508 28.730 ( -5.954 3.156 12.823) 14.486 30.010 ( 15.034 -1.389 -2.029) 15.233 30.195 ( -0.413 4.607 -0.353) 4.639 30.345 ( -3.393 4.151 -8.954) 10.436 30.644 ( -2.367 16.590 2.614) 16.961 30.942 ( 13.336 5.004 0.189) 14.245 31.231 ( -13.639 3.368 3.760) 14.543 32.194 ( 2.918 0.455 17.029) 17.283 32.302 ( -2.063 7.284 18.138) 19.654 32.540 ( 3.924 5.753 6.061) 9.232 32.663 ( -9.391 10.957 4.996) 15.271 34.023 ( 8.338 15.758 16.617) 24.372 34.217 ( -11.290 16.824 20.832) 29.060 38.016 ( 24.809 -43.835 -35.184) 61.440 38.555 ( -8.449 -27.516 -20.946) 35.599 ======================= Grid point 65 (25/126) ======================= q-point: ( 0.00 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 0.000 28.589 -1.703) 28.639 2.041 ( 0.000 28.378 13.734) 31.527 2.106 ( 0.000 16.255 15.179) 22.240 2.612 ( 0.000 3.447 6.627) 7.470 3.032 ( 0.000 25.191 11.100) 27.528 3.667 ( 0.000 -9.210 -5.730) 10.847 4.244 ( 0.000 20.492 20.909) 29.276 4.316 ( 0.000 16.156 7.456) 17.794 5.688 ( 0.000 21.054 19.146) 28.458 5.846 ( 0.000 45.279 6.516) 45.746 6.211 ( 0.000 24.743 19.355) 31.414 6.793 ( 0.000 -13.122 -15.704) 20.465 7.090 ( 0.000 9.878 0.989) 9.927 7.388 ( 0.000 10.534 -3.375) 11.062 7.493 ( 0.000 2.134 5.470) 5.871 8.115 ( 0.000 7.044 3.811) 8.009 8.404 ( 0.000 -13.237 24.047) 27.450 9.489 ( 0.000 4.574 2.762) 5.343 9.964 ( 0.000 31.002 -3.141) 31.161 10.970 ( 0.000 24.905 -1.782) 24.968 11.591 ( 0.000 -5.759 -4.635) 7.393 12.158 ( 0.000 -7.101 -4.156) 8.227 12.475 ( 0.000 -6.624 0.784) 6.670 13.033 ( 0.000 9.197 3.218) 9.744 13.788 ( 0.000 -5.875 -7.857) 9.811 13.967 ( 0.000 -17.592 -5.607) 18.464 14.297 ( 0.000 -5.445 -9.368) 10.835 14.334 ( 0.000 -9.656 1.955) 9.852 15.487 ( 0.000 2.553 18.627) 18.801 15.771 ( 0.000 -4.996 -9.016) 10.308 16.306 ( 0.000 -5.055 7.805) 9.299 16.797 ( 0.000 -21.683 -9.395) 23.631 17.318 ( 0.000 -6.440 -3.861) 7.508 17.445 ( 0.000 -8.896 4.117) 9.802 18.510 ( 0.000 3.870 2.099) 4.403 18.566 ( 0.000 0.349 -7.089) 7.098 19.150 ( 0.000 3.378 6.506) 7.331 19.187 ( 0.000 2.747 0.704) 2.836 19.769 ( 0.000 19.517 -10.452) 22.139 20.799 ( 0.000 -9.682 -10.265) 14.111 21.241 ( 0.000 -2.449 -7.348) 7.746 21.474 ( 0.000 2.779 -6.931) 7.468 22.362 ( 0.000 -7.267 -14.746) 16.440 22.408 ( 0.000 -8.258 -2.780) 8.713 22.836 ( 0.000 -9.271 -4.839) 10.458 23.126 ( 0.000 -24.366 -7.940) 25.627 23.495 ( 0.000 -4.073 2.376) 4.715 23.766 ( 0.000 -6.359 1.136) 6.460 23.842 ( 0.000 -8.244 16.796) 18.711 24.126 ( 0.000 -24.151 16.704) 29.365 25.663 ( 0.000 -3.054 -5.521) 6.309 25.781 ( 0.000 5.922 -16.061) 17.118 26.331 ( 0.000 -1.162 -22.279) 22.309 26.600 ( 0.000 -10.432 -2.022) 10.626 27.911 ( 0.000 -3.613 -0.058) 3.613 28.175 ( 0.000 4.807 -3.072) 5.705 29.007 ( 0.000 7.288 11.376) 13.510 29.198 ( 0.000 -1.856 8.985) 9.175 29.227 ( 0.000 17.442 2.261) 17.588 30.114 ( 0.000 12.283 -10.087) 15.894 30.498 ( 0.000 -0.067 -1.971) 1.972 30.861 ( 0.000 12.168 -7.240) 14.159 31.115 ( 0.000 14.969 13.703) 20.294 31.367 ( 0.000 -6.653 13.496) 15.047 32.112 ( 0.000 -0.789 18.554) 18.571 32.485 ( 0.000 8.004 19.585) 21.157 32.689 ( 0.000 19.151 1.281) 19.194 33.456 ( 0.000 5.538 -14.846) 15.845 34.223 ( 0.000 18.582 7.469) 20.027 35.059 ( 0.000 -1.482 4.783) 5.007 35.797 ( 0.000 -3.045 4.249) 5.227 38.066 ( 0.000 -39.936 -11.891) 41.669 ======================= Grid point 66 (26/126) ======================= q-point: ( 0.20 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 6.147 25.444 -2.730) 26.318 2.061 ( 4.795 21.773 12.422) 25.521 2.189 ( 4.444 14.181 10.113) 17.976 2.583 ( -2.891 3.189 6.935) 8.162 3.131 ( 10.136 21.800 8.830) 25.611 3.658 ( -1.465 -7.969 -4.614) 9.324 4.227 ( 5.318 25.069 16.408) 30.429 4.480 ( 12.138 15.626 15.829) 25.339 5.524 ( -16.548 22.241 20.117) 34.252 5.736 ( -23.670 27.408 12.537) 38.323 6.013 ( -2.583 34.711 7.113) 35.527 6.732 ( -8.284 -3.742 -4.427) 10.111 7.056 ( -2.596 11.190 0.445) 11.496 7.386 ( 0.205 4.527 5.480) 7.111 7.683 ( 15.139 5.677 -0.097) 16.169 8.102 ( 1.369 6.407 4.364) 7.872 8.603 ( 15.674 -7.679 16.348) 23.914 9.323 ( -12.841 10.672 1.557) 16.769 10.128 ( 13.690 23.679 -1.522) 27.394 10.860 ( -9.406 20.849 -0.735) 22.884 11.737 ( 10.534 0.053 -6.381) 12.317 12.088 ( -4.418 -11.394 -2.065) 12.394 12.372 ( -9.592 -2.504 0.091) 9.914 12.910 ( -11.070 8.007 2.495) 13.888 13.783 ( -1.319 -11.480 -8.293) 14.224 13.957 ( -0.488 -17.957 -3.955) 18.394 14.391 ( 11.783 -6.778 -4.267) 14.248 14.521 ( 15.004 -8.868 -2.832) 17.657 15.558 ( -1.234 -5.286 7.320) 9.113 15.674 ( -3.068 -1.608 -0.547) 3.506 16.152 ( -9.224 -2.538 6.646) 11.649 16.885 ( -1.254 -6.250 -9.860) 11.741 17.268 ( 3.042 -16.054 0.098) 16.340 17.536 ( 7.930 -7.673 3.940) 11.717 18.216 ( -17.779 5.774 0.356) 18.696 18.566 ( -10.104 -0.011 3.689) 10.756 19.202 ( 9.028 2.449 -3.870) 10.123 19.487 ( 19.546 0.812 -3.408) 19.857 19.795 ( 5.974 18.323 -6.126) 20.223 20.809 ( 1.241 -9.591 -10.940) 14.602 21.118 ( -12.970 -0.026 -6.561) 14.535 21.427 ( -4.506 1.303 -2.766) 5.446 22.307 ( -4.295 -9.029 -7.082) 12.253 22.430 ( 1.429 -4.489 -12.167) 13.047 22.841 ( -0.208 -12.629 -4.201) 13.311 23.017 ( -7.181 -17.884 -9.183) 21.348 23.582 ( 6.046 -5.551 1.609) 8.364 23.756 ( -0.884 -5.801 2.446) 6.358 23.871 ( 2.857 -9.901 15.951) 18.990 24.093 ( -3.299 -21.203 17.116) 27.448 25.577 ( -3.427 -1.845 -14.214) 14.737 25.875 ( 1.162 9.440 -10.659) 14.285 26.292 ( 0.618 -5.747 -18.746) 19.616 26.625 ( 2.001 -11.150 -2.377) 11.574 27.927 ( -0.566 2.861 0.333) 2.936 28.118 ( -2.329 1.886 -9.561) 10.020 28.704 ( -21.107 8.496 11.335) 25.420 29.001 ( -8.595 9.664 16.723) 21.140 29.634 ( 22.426 2.346 -0.209) 22.549 30.234 ( 9.154 9.600 -6.171) 14.630 30.471 ( -2.521 0.240 -3.362) 4.210 30.907 ( 4.256 9.579 -5.590) 11.879 31.087 ( -3.037 15.445 9.425) 18.347 31.358 ( -0.768 -2.271 10.856) 11.118 32.112 ( 0.210 -2.424 19.937) 20.085 32.467 ( -2.160 6.018 21.370) 22.306 32.721 ( 3.342 19.639 1.254) 19.961 33.249 ( -17.107 11.327 -7.930) 21.996 34.275 ( 5.168 18.840 7.402) 20.891 34.841 ( -12.825 15.914 11.131) 23.273 36.383 ( 44.267 -30.182 -11.747) 54.850 37.998 ( -7.376 -40.532 -11.386) 42.742 ======================= Grid point 67 (27/126) ======================= q-point: ( 0.40 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 5.324 20.356 -4.662) 21.551 2.113 ( -1.571 16.815 3.973) 17.349 2.307 ( 10.540 8.314 11.045) 17.384 2.493 ( -7.693 3.588 7.370) 11.241 3.348 ( 10.714 9.637 1.231) 14.463 3.597 ( -4.819 -1.995 0.016) 5.216 4.499 ( 23.078 28.664 13.543) 39.213 4.731 ( 13.521 19.750 19.797) 31.061 5.123 ( -27.875 23.570 12.023) 38.434 5.176 ( -23.960 14.697 26.040) 38.316 6.165 ( 14.561 32.259 5.778) 35.861 6.479 ( -17.603 16.217 4.391) 24.334 7.024 ( -0.740 7.257 -2.891) 7.847 7.407 ( 1.143 3.329 9.296) 9.940 7.918 ( 9.567 9.010 0.937) 13.175 8.116 ( -1.949 7.037 4.486) 8.570 8.863 ( 10.880 -0.931 5.346) 12.158 9.124 ( -7.973 8.164 3.659) 11.984 10.388 ( 13.121 20.206 -1.075) 24.116 10.671 ( -10.578 19.620 1.288) 22.328 11.819 ( 0.865 -3.628 -6.602) 7.583 12.005 ( -7.517 -12.869 -2.480) 15.108 12.358 ( 11.764 7.269 0.710) 13.847 12.668 ( -14.502 6.829 2.247) 16.186 13.754 ( -1.083 -18.539 -9.658) 20.932 13.954 ( 0.012 -18.214 -2.096) 18.334 14.651 ( 13.689 -11.702 -3.694) 18.384 14.758 ( 6.392 -13.357 -3.414) 15.196 15.364 ( -9.327 -7.283 -4.713) 12.738 15.630 ( -6.647 -3.227 8.253) 11.078 16.238 ( 17.447 6.633 2.421) 18.822 16.647 ( -19.238 3.259 -2.353) 19.654 17.463 ( 11.647 -19.701 -2.007) 22.974 17.697 ( 6.131 -5.194 -0.551) 8.054 17.938 ( -9.496 0.829 4.884) 10.711 18.328 ( -11.641 3.982 12.372) 17.448 19.373 ( 8.057 7.888 -10.792) 15.608 19.574 ( -4.461 5.507 -9.233) 11.640 20.177 ( 27.889 4.990 -2.558) 28.447 20.691 ( -20.425 -0.621 -9.279) 22.443 20.947 ( 0.878 -7.745 -6.373) 10.068 21.332 ( -4.539 1.008 2.355) 5.212 22.247 ( -1.676 -8.330 -7.825) 11.551 22.449 ( 0.535 -2.685 -16.060) 16.292 22.809 ( -2.039 -22.439 -2.095) 22.628 22.952 ( -0.674 -6.895 -11.751) 13.641 23.663 ( 2.526 -6.130 0.462) 6.646 23.738 ( -0.864 -4.282 4.874) 6.545 23.937 ( 4.105 -12.793 15.116) 20.224 24.019 ( -4.390 -16.337 17.543) 24.370 25.575 ( 2.350 1.535 -17.319) 17.545 25.780 ( -6.910 5.094 -15.088) 17.359 26.399 ( 6.609 -4.625 -12.172) 14.602 26.644 ( -0.244 -12.923 -2.187) 13.109 27.873 ( -2.641 10.663 -6.595) 12.813 28.138 ( 1.485 1.003 -8.521) 8.707 28.414 ( -8.207 3.836 14.020) 16.692 28.861 ( -5.103 9.027 18.225) 20.968 30.007 ( 17.353 -0.416 1.782) 17.449 30.263 ( -7.969 0.272 6.044) 10.005 30.476 ( 3.105 9.247 -13.434) 16.602 30.955 ( -0.655 5.803 0.913) 5.911 31.053 ( 1.051 12.661 2.033) 12.866 31.341 ( -0.937 7.415 3.786) 8.378 32.126 ( 1.041 -3.935 20.597) 20.995 32.414 ( -2.632 1.657 26.313) 26.497 32.805 ( 5.619 19.760 0.534) 20.550 32.978 ( -10.844 17.855 -1.299) 20.931 34.387 ( 5.740 17.658 5.913) 19.486 34.655 ( -7.153 23.762 13.756) 28.373 37.071 ( 25.392 -44.739 -24.680) 57.056 37.812 ( -10.780 -41.411 -7.746) 43.486 ======================= Grid point 70 (28/126) ======================= q-point: ( 0.00 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 0.000 13.704 -0.140) 13.705 2.421 ( 0.000 13.133 5.005) 14.054 2.474 ( 0.000 13.674 4.391) 14.361 2.650 ( 0.000 3.642 3.763) 5.237 3.404 ( 0.000 11.122 1.193) 11.186 3.469 ( 0.000 -9.673 -4.788) 10.793 4.662 ( 0.000 21.926 31.708) 38.550 4.786 ( 0.000 28.665 7.935) 29.743 6.080 ( 0.000 14.404 14.893) 20.719 6.450 ( 0.000 6.260 17.102) 18.212 6.469 ( 0.000 -8.770 -14.682) 17.102 6.732 ( 0.000 19.531 -8.359) 21.244 7.212 ( 0.000 2.299 9.350) 9.629 7.772 ( 0.000 13.349 -3.410) 13.777 7.774 ( 0.000 24.118 11.258) 26.616 8.421 ( 0.000 26.687 15.267) 30.745 8.454 ( 0.000 25.846 18.540) 31.808 9.636 ( 0.000 12.546 2.334) 12.761 10.532 ( 0.000 23.489 -2.777) 23.653 11.337 ( 0.000 -19.952 -1.078) 19.981 11.433 ( 0.000 16.891 -13.951) 21.907 12.031 ( 0.000 -2.672 2.317) 3.537 12.296 ( 0.000 -8.340 0.311) 8.345 13.119 ( 0.000 -4.632 -3.080) 5.562 13.591 ( 0.000 -15.416 4.029) 15.934 13.633 ( 0.000 -13.661 2.495) 13.887 14.091 ( 0.000 -13.969 8.861) 16.542 14.326 ( 0.000 11.987 -17.287) 21.036 15.532 ( 0.000 -0.188 14.857) 14.858 15.648 ( 0.000 -6.456 -7.949) 10.240 16.231 ( 0.000 -0.737 8.970) 9.000 16.446 ( 0.000 -10.482 -13.183) 16.842 17.225 ( 0.000 -11.630 2.432) 11.882 17.314 ( 0.000 5.285 -7.111) 8.859 18.488 ( 0.000 -8.989 0.271) 8.993 18.575 ( 0.000 2.577 1.569) 3.017 19.142 ( 0.000 -8.028 -4.324) 9.118 19.238 ( 0.000 6.028 -1.103) 6.128 20.173 ( 0.000 19.270 -10.223) 21.814 20.533 ( 0.000 -15.902 -9.263) 18.404 21.137 ( 0.000 -8.472 -6.510) 10.685 21.468 ( 0.000 -2.323 -3.134) 3.900 22.042 ( 0.000 -22.301 -13.935) 26.297 22.227 ( 0.000 -15.370 -13.015) 20.140 22.595 ( 0.000 -18.655 8.476) 20.490 22.740 ( 0.000 0.117 -1.251) 1.257 23.444 ( 0.000 -1.719 3.880) 4.244 23.652 ( 0.000 -4.156 1.987) 4.606 23.659 ( 0.000 -7.992 16.002) 17.887 23.838 ( 0.000 -7.221 4.073) 8.291 25.629 ( 0.000 0.612 -6.057) 6.088 25.932 ( 0.000 8.213 -15.267) 17.336 26.290 ( 0.000 -3.262 -20.607) 20.863 26.462 ( 0.000 -3.822 -5.578) 6.762 27.771 ( 0.000 -8.900 -5.034) 10.224 28.265 ( 0.000 4.531 -0.527) 4.562 29.046 ( 0.000 -1.314 1.528) 2.015 29.315 ( 0.000 10.417 22.599) 24.884 29.511 ( 0.000 10.160 9.174) 13.689 30.340 ( 0.000 9.810 -12.353) 15.775 30.470 ( 0.000 -2.638 -0.891) 2.784 31.021 ( 0.000 3.607 -9.369) 10.039 31.121 ( 0.000 -7.852 13.688) 15.780 31.526 ( 0.000 14.676 8.404) 16.912 32.156 ( 0.000 5.258 23.265) 23.851 32.616 ( 0.000 3.367 18.834) 19.132 33.145 ( 0.000 23.805 -0.670) 23.815 33.593 ( 0.000 10.966 -4.812) 11.975 34.527 ( 0.000 9.039 -3.572) 9.719 35.058 ( 0.000 2.697 12.226) 12.520 35.797 ( 0.000 0.491 -8.947) 8.961 37.204 ( 0.000 -41.981 -3.821) 42.154 ======================= Grid point 71 (29/126) ======================= q-point: ( 0.20 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 3.124 12.871 -0.885) 13.274 2.423 ( 0.564 11.752 5.759) 13.099 2.461 ( -1.488 12.812 3.410) 13.341 2.634 ( -1.844 4.122 4.215) 6.177 3.416 ( 1.102 5.101 -1.935) 5.566 3.486 ( 1.560 -6.420 -2.929) 7.227 4.730 ( 8.309 24.299 22.798) 34.340 4.893 ( 10.900 24.861 16.694) 31.868 5.936 ( -17.813 12.055 11.768) 24.518 6.038 ( -24.921 11.182 11.708) 29.718 6.514 ( -4.638 -0.808 -7.635) 8.970 6.876 ( 9.192 19.447 1.740) 21.580 7.171 ( 0.281 2.279 5.213) 5.697 7.561 ( -9.043 12.371 7.418) 17.025 8.094 ( 17.864 23.799 1.608) 29.801 8.462 ( 2.839 31.159 16.926) 35.573 8.652 ( 18.793 17.898 11.562) 28.411 9.558 ( -8.244 16.124 0.785) 18.126 10.612 ( 8.409 21.541 -1.706) 23.187 11.163 ( -9.055 3.278 -3.788) 10.348 11.625 ( 6.186 -10.270 -8.862) 14.910 11.902 ( -7.525 -3.063 2.527) 8.509 12.280 ( -2.635 -5.456 -0.477) 6.077 12.963 ( -10.538 -4.559 0.659) 11.501 13.550 ( -3.187 -18.059 0.225) 18.339 13.638 ( -4.526 -8.355 5.527) 10.992 14.210 ( 12.319 -16.524 3.715) 20.943 14.390 ( 5.748 6.591 -13.556) 16.132 15.441 ( -9.569 -4.570 -2.970) 11.013 15.666 ( 1.013 -0.349 8.719) 8.784 16.172 ( 1.574 4.021 3.635) 5.645 16.675 ( 17.789 -13.274 -10.436) 24.527 17.126 ( -13.103 0.894 -5.147) 14.106 17.345 ( 5.830 -8.782 2.493) 10.832 18.277 ( -13.811 -0.238 1.214) 13.867 18.582 ( -7.881 0.837 3.773) 8.777 19.140 ( 9.620 -8.199 -4.232) 13.330 19.505 ( 15.999 0.573 -8.409) 18.083 20.142 ( -1.158 12.515 -3.776) 13.123 20.571 ( 4.099 -10.764 -12.398) 16.922 21.068 ( -8.807 -5.961 -4.602) 11.587 21.407 ( -4.986 -2.347 -0.810) 5.570 22.005 ( -2.989 -21.098 -10.773) 23.877 22.197 ( -3.853 -19.487 -13.930) 24.262 22.584 ( 0.168 -8.691 1.914) 8.901 22.784 ( 3.827 -2.503 -1.017) 4.684 23.489 ( 3.628 -3.755 3.778) 6.444 23.634 ( -1.207 -5.883 4.592) 7.559 23.659 ( 0.076 -8.443 12.968) 15.475 23.829 ( -1.148 -6.297 6.432) 9.074 25.583 ( -1.513 2.273 -12.045) 12.351 26.049 ( 2.451 6.911 -12.090) 14.140 26.201 ( -1.766 -3.330 -16.879) 17.295 26.483 ( 1.674 -3.481 -5.650) 6.844 27.851 ( 7.369 -7.660 -6.076) 12.243 28.186 ( -7.209 4.137 -5.299) 9.857 28.844 ( -15.711 5.424 7.315) 18.159 29.218 ( -8.795 10.860 21.293) 25.469 29.696 ( 14.617 2.369 7.840) 16.755 30.360 ( -4.760 -0.602 2.919) 5.616 30.500 ( 8.776 5.614 -11.433) 15.468 30.990 ( -1.411 -0.113 -6.962) 7.104 31.243 ( 9.394 1.003 5.268) 10.817 31.509 ( -1.426 13.625 8.048) 15.889 32.126 ( -2.636 4.271 23.544) 24.073 32.547 ( -6.763 1.476 21.426) 22.517 33.180 ( 3.449 23.635 -0.074) 23.886 33.504 ( -7.679 15.503 -3.100) 17.576 34.589 ( 5.480 10.094 -3.428) 11.986 35.099 ( 2.216 9.162 11.527) 14.890 35.943 ( 15.292 -14.158 -12.433) 24.267 37.139 ( -6.880 -41.105 -2.762) 41.769 ======================= Grid point 72 (30/126) ======================= q-point: ( 0.40 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 3.000 12.151 -2.905) 12.849 2.408 ( -2.226 7.008 5.504) 9.185 2.467 ( 2.476 11.482 3.102) 12.148 2.584 ( -3.006 6.689 5.884) 9.402 3.436 ( 0.745 -0.636 -5.005) 5.100 3.511 ( 0.848 -4.938 -1.499) 5.230 4.987 ( 19.506 21.013 11.700) 30.966 5.163 ( 16.763 21.851 23.464) 36.180 5.450 ( -27.322 12.237 8.493) 31.119 5.635 ( -21.079 23.964 25.701) 40.977 6.449 ( -1.392 -1.858 -8.171) 8.494 6.978 ( 2.294 21.114 9.500) 23.266 7.205 ( 1.134 8.204 -2.108) 8.546 7.467 ( -1.357 8.281 6.232) 10.453 8.330 ( 6.788 16.571 6.881) 19.184 8.519 ( 2.196 36.591 14.110) 39.279 9.017 ( 19.082 19.503 2.429) 27.393 9.348 ( -14.124 18.452 0.146) 23.238 10.810 ( 11.199 19.852 -1.023) 22.816 11.023 ( -7.017 12.935 -0.491) 14.724 11.594 ( -0.758 -17.192 -2.094) 17.335 11.733 ( -13.150 -13.015 -2.153) 18.627 12.418 ( 17.925 -1.751 -0.234) 18.012 12.752 ( -14.990 -1.275 1.049) 15.081 13.466 ( -4.116 -11.300 -0.410) 12.033 13.562 ( -1.874 -19.596 5.324) 20.393 14.410 ( 6.323 -11.830 -3.397) 13.837 14.496 ( 4.450 -5.494 -5.196) 8.774 15.283 ( -5.448 -0.327 -6.738) 8.671 15.616 ( -3.933 0.408 9.264) 10.072 16.388 ( 19.200 7.313 -0.625) 20.555 16.768 ( -18.781 7.489 -7.545) 21.581 17.015 ( 10.412 -20.742 -5.608) 23.877 17.441 ( 2.395 -16.138 2.965) 16.582 18.063 ( -7.207 7.867 0.341) 10.675 18.408 ( -7.145 2.830 10.156) 12.736 19.384 ( 14.109 -7.201 -9.285) 18.361 19.600 ( -6.800 -2.966 -13.525) 15.426 20.299 ( 18.635 2.741 2.552) 19.008 20.608 ( -6.436 -4.935 -9.372) 12.394 20.849 ( -8.917 -1.776 -7.411) 11.730 21.317 ( -3.902 -1.841 4.674) 6.360 21.987 ( 1.625 -18.307 -9.865) 20.859 22.100 ( -5.338 -24.853 -13.223) 28.653 22.601 ( 0.877 -0.222 -4.288) 4.383 22.847 ( 2.214 -2.608 -3.108) 4.622 23.538 ( 1.631 -6.481 2.645) 7.187 23.597 ( -2.295 -9.594 4.996) 11.058 23.701 ( 3.710 -7.983 14.246) 16.746 23.791 ( -2.797 -4.861 8.237) 9.965 25.630 ( 6.391 3.125 -16.024) 17.532 25.862 ( -12.663 1.878 -16.444) 20.840 26.368 ( 10.333 0.627 -7.547) 12.811 26.489 ( -2.222 -2.431 -5.753) 6.629 27.978 ( 4.724 -2.625 -7.077) 8.905 28.065 ( -4.430 -1.003 -11.018) 11.918 28.609 ( -7.480 11.290 9.662) 16.637 29.067 ( -5.499 10.335 21.481) 24.464 29.956 ( 12.480 -4.619 8.153) 15.607 30.209 ( -9.679 -4.868 13.538) 17.340 30.683 ( 7.511 9.701 -17.108) 21.052 30.967 ( -1.312 -0.166 -10.419) 10.503 31.365 ( 2.320 12.470 5.027) 13.644 31.506 ( 1.493 8.597 3.597) 9.438 32.093 ( -0.332 1.371 21.942) 21.987 32.413 ( -5.853 -0.878 28.438) 29.048 33.260 ( 5.026 23.102 0.275) 23.644 33.368 ( -6.590 20.554 -0.786) 21.599 34.682 ( 3.399 9.997 -4.630) 11.530 35.105 ( -0.775 18.688 12.494) 22.493 36.255 ( 13.606 -34.575 -20.403) 42.389 36.982 ( -7.867 -37.606 1.912) 38.468 ======================= Grid point 75 (31/126) ======================= q-point: ( 0.00 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 0.000 4.293 3.381) 5.464 2.518 ( 0.000 -0.637 3.658) 3.713 2.641 ( 0.000 4.096 1.213) 4.272 2.876 ( 0.000 14.461 -1.678) 14.558 3.292 ( 0.000 -7.166 -3.088) 7.803 3.531 ( 0.000 2.437 -4.000) 4.684 5.121 ( 0.000 21.755 32.026) 38.716 5.353 ( 0.000 21.960 4.409) 22.398 6.225 ( 0.000 5.946 9.499) 11.206 6.232 ( 0.000 -12.692 -7.472) 14.729 6.720 ( 0.000 16.525 26.969) 31.629 6.773 ( 0.000 -7.243 1.319) 7.362 7.276 ( 0.000 2.864 4.501) 5.335 7.891 ( 0.000 3.233 -1.124) 3.423 8.398 ( 0.000 33.058 3.452) 33.237 8.832 ( 0.000 6.792 10.757) 12.722 9.310 ( 0.000 46.728 8.297) 47.458 10.143 ( 0.000 31.527 4.436) 31.837 10.859 ( 0.000 -18.682 1.633) 18.754 10.898 ( 0.000 11.653 -4.220) 12.394 11.573 ( 0.000 0.243 -16.970) 16.972 12.088 ( 0.000 4.131 2.875) 5.033 12.179 ( 0.000 -4.431 2.603) 5.139 12.894 ( 0.000 -9.343 -1.343) 9.439 13.232 ( 0.000 -23.163 4.292) 23.557 13.348 ( 0.000 -13.064 9.702) 16.272 13.775 ( 0.000 -16.301 14.575) 21.867 14.699 ( 0.000 19.561 -12.756) 23.352 15.454 ( 0.000 -4.984 -1.609) 5.237 15.566 ( 0.000 -0.552 -5.069) 5.099 16.277 ( 0.000 4.234 7.169) 8.326 16.370 ( 0.000 -0.675 -3.734) 3.795 17.050 ( 0.000 -2.208 -3.269) 3.945 17.500 ( 0.000 12.349 -9.824) 15.780 18.189 ( 0.000 -19.718 1.576) 19.781 18.572 ( 0.000 -6.603 -4.889) 8.216 18.911 ( 0.000 -9.612 0.563) 9.628 19.413 ( 0.000 11.117 -3.673) 11.708 20.176 ( 0.000 -17.995 -6.894) 19.270 20.500 ( 0.000 8.435 -13.025) 15.517 20.890 ( 0.000 -11.707 -1.621) 11.819 21.421 ( 0.000 -1.570 -3.792) 4.104 21.619 ( 0.000 -16.582 -4.420) 17.161 21.795 ( 0.000 -20.255 -7.003) 21.432 22.436 ( 0.000 -2.355 5.541) 6.021 22.754 ( 0.000 -0.087 -9.417) 9.418 23.418 ( 0.000 -0.360 10.614) 10.620 23.551 ( 0.000 -2.977 10.876) 11.277 23.614 ( 0.000 0.176 1.225) 1.238 23.736 ( 0.000 -3.673 -0.627) 3.726 25.694 ( 0.000 5.447 -7.706) 9.437 26.097 ( 0.000 7.506 -12.662) 14.719 26.190 ( 0.000 -6.426 -17.105) 18.272 26.411 ( 0.000 -1.807 -8.744) 8.929 27.585 ( 0.000 -8.490 -7.743) 11.490 28.362 ( 0.000 4.655 -1.003) 4.761 29.022 ( 0.000 -0.809 -0.226) 0.840 29.530 ( 0.000 9.781 27.126) 28.835 29.649 ( 0.000 3.899 13.696) 14.240 30.393 ( 0.000 -4.622 -0.603) 4.662 30.510 ( 0.000 6.562 -14.662) 16.064 30.973 ( 0.000 -5.998 11.120) 12.634 31.047 ( 0.000 -0.050 -9.241) 9.241 31.774 ( 0.000 9.124 7.516) 11.821 32.290 ( 0.000 6.630 23.446) 24.365 32.618 ( 0.000 -2.127 20.245) 20.357 33.618 ( 0.000 21.775 -0.895) 21.794 33.948 ( 0.000 23.019 -3.073) 23.223 34.556 ( 0.000 -4.983 -9.686) 10.892 35.179 ( 0.000 7.460 15.560) 17.256 35.692 ( 0.000 -15.054 -16.441) 22.292 36.485 ( 0.000 -23.664 4.381) 24.066 ======================= Grid point 76 (32/126) ======================= q-point: ( 0.20 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 1.827 3.746 3.319) 5.328 2.496 ( -2.167 -0.452 3.768) 4.370 2.656 ( 1.599 4.873 1.192) 5.266 2.851 ( -2.760 14.005 -1.002) 14.309 3.306 ( 1.751 -6.689 -3.305) 7.664 3.511 ( -2.283 1.225 -4.212) 4.945 5.192 ( 7.175 20.263 28.138) 35.409 5.372 ( 3.321 16.905 7.243) 18.688 5.989 ( -15.517 1.457 3.855) 16.055 6.258 ( -9.806 1.876 5.240) 11.276 6.550 ( -7.970 8.776 12.055) 16.907 6.900 ( 10.430 -3.873 16.501) 19.902 7.372 ( 8.310 10.847 -2.975) 13.984 7.855 ( -5.837 11.232 4.338) 13.380 8.428 ( 4.593 16.617 -0.432) 17.245 8.892 ( 3.571 5.585 10.522) 12.436 9.449 ( 14.930 47.930 6.480) 50.618 10.141 ( -1.004 35.658 2.867) 35.787 10.871 ( 4.021 -10.279 -2.311) 11.277 11.001 ( 8.209 5.282 0.597) 9.779 11.512 ( -7.391 -1.828 -13.159) 15.202 11.898 ( -15.268 -0.646 -0.258) 15.284 12.201 ( -0.913 -1.417 3.008) 3.448 12.781 ( -3.806 -11.606 5.719) 13.487 13.147 ( -6.453 -18.585 5.738) 20.493 13.415 ( -9.348 -15.902 10.046) 21.004 13.862 ( 17.768 -14.967 5.249) 23.817 14.694 ( -1.729 18.389 -10.918) 21.456 15.397 ( -3.978 -0.884 -4.434) 6.023 15.618 ( 1.025 -3.614 1.835) 4.180 16.282 ( 5.027 6.113 0.425) 7.927 16.491 ( 11.529 -4.096 -2.407) 12.470 17.066 ( -1.061 -3.859 -5.146) 6.519 17.369 ( -11.936 9.008 -6.382) 16.258 18.171 ( -1.300 -10.363 1.007) 10.493 18.552 ( -5.133 -6.680 -2.407) 8.761 18.932 ( 6.906 -8.306 -1.089) 10.856 19.539 ( 7.611 4.036 -7.596) 11.485 20.070 ( -5.562 -15.013 -3.113) 16.310 20.567 ( 3.843 0.741 -12.734) 13.322 20.867 ( -2.493 -7.644 -1.968) 8.278 21.359 ( -4.523 -2.903 -3.796) 6.580 21.614 ( -0.996 -13.128 -5.179) 14.148 21.796 ( -1.203 -16.434 -2.959) 16.742 22.479 ( 5.103 -3.098 0.740) 6.015 22.780 ( 2.280 -0.275 -9.106) 9.391 23.425 ( -0.297 -2.000 13.480) 13.631 23.511 ( -3.001 -4.097 2.875) 5.835 23.601 ( -0.711 0.199 4.260) 4.324 23.747 ( 0.447 -2.794 3.214) 4.282 25.662 ( -1.416 5.210 -11.677) 12.865 26.069 ( -10.130 -4.483 -16.965) 20.262 26.224 ( 9.875 4.836 -8.662) 13.998 26.451 ( 3.555 -0.266 -8.866) 9.556 27.683 ( 9.324 -7.868 -8.665) 14.964 28.266 ( -9.408 3.431 -4.421) 10.947 28.939 ( -7.170 3.970 4.384) 9.294 29.423 ( -9.814 8.705 20.797) 24.589 29.717 ( 6.149 0.025 16.202) 17.329 30.265 ( -10.212 -6.457 9.410) 15.314 30.637 ( 11.222 5.760 -16.250) 20.571 30.978 ( 0.749 -0.390 -8.279) 8.322 31.230 ( 15.560 -1.503 1.795) 15.735 31.748 ( -2.562 9.010 7.069) 11.735 32.252 ( -3.758 6.795 23.750) 24.987 32.538 ( -7.644 -1.729 22.665) 23.982 33.647 ( 2.897 21.535 -0.426) 21.733 33.907 ( -3.874 23.452 -2.186) 23.870 34.638 ( 7.338 -4.859 -10.106) 13.401 35.234 ( 5.144 3.393 14.879) 16.104 35.692 ( 0.436 -14.111 -17.089) 22.166 36.440 ( -4.552 -23.425 4.995) 24.380 ======================= Grid point 77 (33/126) ======================= q-point: ( 0.40 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 2.870 2.571 2.700) 4.705 2.445 ( -2.986 -0.169 4.533) 5.431 2.698 ( 2.741 8.044 0.417) 8.509 2.784 ( -3.807 10.976 0.792) 11.645 3.362 ( 4.164 -4.361 -4.035) 7.255 3.448 ( -4.302 -1.722 -4.120) 6.201 5.347 ( 8.919 12.852 12.659) 20.124 5.516 ( 9.768 8.858 14.708) 19.754 5.698 ( -11.495 14.034 14.140) 23.001 5.937 ( -19.196 2.827 15.681) 24.948 6.535 ( 2.578 15.017 2.660) 15.467 7.082 ( 6.098 -1.246 18.263) 19.295 7.460 ( 1.005 15.205 -7.526) 16.996 7.754 ( -3.000 13.902 6.361) 15.579 8.526 ( 4.384 5.392 -2.522) 7.393 8.913 ( -0.679 0.891 11.115) 11.171 9.786 ( 18.685 47.325 1.777) 50.911 10.056 ( -9.508 43.083 0.011) 44.120 11.028 ( 11.909 -11.852 -1.410) 16.860 11.172 ( 10.127 12.654 -1.121) 16.246 11.319 ( -11.009 -6.692 -2.928) 13.212 11.536 ( -20.797 -0.848 -1.821) 20.894 12.331 ( 15.602 -4.768 3.777) 16.746 12.669 ( -14.143 -4.515 5.881) 15.969 13.053 ( -0.273 -26.696 5.895) 27.340 13.187 ( -9.608 -21.425 11.140) 25.990 14.260 ( 21.273 -2.834 -1.151) 21.492 14.579 ( -11.864 10.317 -6.139) 16.879 15.344 ( -1.315 4.955 -6.004) 7.895 15.569 ( -3.514 -6.353 5.153) 8.903 16.517 ( 17.991 5.276 -6.352) 19.796 16.722 ( 8.789 -4.405 -2.802) 10.222 16.912 ( -13.165 3.090 -7.614) 15.518 17.165 ( -8.709 -7.063 -0.655) 11.232 18.178 ( 2.171 1.869 -0.470) 2.903 18.411 ( -7.081 -3.768 2.757) 8.481 19.166 ( 16.002 -10.770 -6.016) 20.205 19.467 ( -13.727 -7.815 -8.863) 18.112 20.175 ( 14.140 -11.217 -2.605) 18.236 20.504 ( -10.900 -11.242 -2.306) 15.827 20.877 ( 3.708 6.220 -12.303) 14.276 21.268 ( -4.879 -3.877 -2.536) 6.728 21.622 ( 2.413 -10.585 -2.279) 11.093 21.735 ( -4.315 -11.927 0.230) 12.686 22.594 ( 5.193 -1.133 -8.068) 9.661 22.810 ( 0.506 -2.397 -6.829) 7.256 23.404 ( -0.552 -5.147 8.832) 10.237 23.450 ( -3.275 -4.205 4.509) 6.982 23.621 ( 2.112 -0.721 6.801) 7.158 23.738 ( -1.072 -1.644 6.293) 6.592 25.692 ( 4.915 2.886 -15.483) 16.499 25.860 ( -10.682 -1.519 -16.393) 19.626 26.400 ( 7.168 2.384 -6.796) 10.161 26.501 ( 0.823 2.077 -7.490) 7.816 27.869 ( 9.598 -5.162 -10.117) 14.870 28.074 ( -9.952 -0.048 -7.928) 12.724 28.832 ( -3.146 10.340 6.502) 12.613 29.247 ( -6.792 6.109 18.357) 20.504 29.842 ( 6.168 -5.276 15.032) 17.083 30.090 ( -7.455 -6.286 20.753) 22.930 30.838 ( 8.402 5.170 -18.985) 21.395 30.976 ( -1.404 0.916 -15.530) 15.620 31.511 ( 12.816 3.152 1.175) 13.250 31.683 ( -4.986 7.252 3.658) 9.531 32.180 ( -2.908 6.196 24.130) 25.082 32.396 ( -5.686 -0.672 29.689) 30.236 33.712 ( 3.590 21.094 -0.602) 21.406 33.828 ( -4.004 24.022 -0.069) 24.354 34.756 ( 3.995 -3.282 -10.599) 11.793 35.316 ( 2.498 -5.066 13.254) 14.407 35.720 ( 2.036 -11.592 -18.524) 21.947 36.348 ( -3.893 -22.984 6.914) 24.315 ======================= Grid point 80 (34/126) ======================= q-point: ( 0.00 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 0.000 1.015 4.592) 4.703 2.495 ( 0.000 -0.855 3.244) 3.355 2.684 ( 0.000 0.776 0.464) 0.904 3.110 ( 0.000 6.812 -3.629) 7.718 3.190 ( 0.000 -2.633 -1.918) 3.258 3.542 ( 0.000 -0.503 -5.791) 5.812 5.519 ( 0.000 16.264 31.894) 35.801 5.587 ( 0.000 3.358 3.976) 5.204 5.945 ( 0.000 -14.125 -1.276) 14.182 6.410 ( 0.000 7.850 10.210) 12.879 6.666 ( 0.000 -2.323 -1.792) 2.934 6.993 ( 0.000 8.469 27.539) 28.812 7.313 ( 0.000 0.887 7.692) 7.743 7.959 ( 0.000 2.386 2.089) 3.172 8.842 ( 0.000 -1.212 5.605) 5.734 8.959 ( 0.000 17.410 -1.148) 17.447 10.025 ( 0.000 18.598 -3.050) 18.846 10.152 ( 0.000 -13.510 1.279) 13.570 11.018 ( 0.000 1.880 -3.153) 3.671 11.261 ( 0.000 40.050 6.315) 40.545 11.514 ( 0.000 -5.612 -25.164) 25.782 11.964 ( 0.000 -21.334 5.882) 22.130 12.259 ( 0.000 17.199 8.803) 19.321 12.821 ( 0.000 -7.281 5.777) 9.294 12.831 ( 0.000 -11.451 5.614) 12.753 12.988 ( 0.000 -14.584 17.652) 22.898 13.507 ( 0.000 -7.592 11.296) 13.610 14.943 ( 0.000 3.398 -11.274) 11.775 15.462 ( 0.000 4.945 -7.300) 8.818 15.598 ( 0.000 1.974 -3.528) 4.043 16.292 ( 0.000 -5.163 -3.796) 6.408 16.359 ( 0.000 2.658 6.070) 6.627 17.220 ( 0.000 16.629 -3.775) 17.052 17.732 ( 0.000 -22.693 -0.588) 22.701 17.805 ( 0.000 16.863 -10.581) 19.907 18.247 ( 0.000 -19.924 -12.702) 23.629 18.867 ( 0.000 1.421 7.946) 8.072 19.674 ( 0.000 12.429 -4.710) 13.292 19.871 ( 0.000 -9.306 -4.775) 10.459 20.301 ( 0.000 -16.439 -7.299) 17.986 20.948 ( 0.000 8.839 -1.101) 8.907 21.364 ( 0.000 -8.547 -3.535) 9.249 21.404 ( 0.000 -0.472 -4.359) 4.384 21.509 ( 0.000 -6.968 -6.341) 9.422 22.412 ( 0.000 -0.445 4.606) 4.628 22.735 ( 0.000 -0.976 -10.696) 10.740 23.435 ( 0.000 1.339 2.907) 3.200 23.510 ( 0.000 -1.295 17.051) 17.100 23.636 ( 0.000 1.513 -1.638) 2.230 23.676 ( 0.000 -2.239 -0.168) 2.245 25.831 ( 0.000 6.972 -10.113) 12.283 26.042 ( 0.000 -7.205 -13.012) 14.874 26.223 ( 0.000 4.245 -6.449) 7.720 26.374 ( 0.000 -1.735 -14.788) 14.890 27.455 ( 0.000 -3.579 -8.938) 9.629 28.437 ( 0.000 2.110 -2.491) 3.264 29.012 ( 0.000 -0.207 -0.974) 0.996 29.686 ( 0.000 4.591 31.348) 31.682 29.693 ( 0.000 0.818 16.312) 16.333 30.306 ( 0.000 -2.949 -2.626) 3.948 30.601 ( 0.000 2.215 -16.314) 16.464 30.888 ( 0.000 -2.195 9.778) 10.022 31.043 ( 0.000 -0.181 -8.786) 8.788 31.897 ( 0.000 2.975 7.160) 7.754 32.390 ( 0.000 2.708 22.861) 23.021 32.574 ( 0.000 -1.402 22.048) 22.092 34.009 ( 0.000 15.283 2.108) 15.428 34.386 ( 0.000 -10.007 -12.470) 15.989 34.490 ( 0.000 28.550 -6.595) 29.302 35.169 ( 0.000 -30.511 -9.138) 31.850 35.297 ( 0.000 3.226 14.025) 14.391 36.263 ( 0.000 -2.733 1.283) 3.019 ======================= Grid point 81 (35/126) ======================= q-point: ( 0.20 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 0.987 0.804 4.587) 4.760 2.478 ( -1.766 -0.722 3.448) 3.941 2.712 ( 3.122 1.129 0.489) 3.356 3.076 ( -5.107 6.615 -2.026) 8.599 3.207 ( 3.474 -2.782 -3.365) 5.580 3.514 ( -3.146 -0.381 -5.662) 6.488 5.492 ( -3.013 3.944 9.891) 11.067 5.558 ( 0.314 8.711 25.929) 27.355 5.953 ( -1.347 -5.741 0.181) 5.900 6.317 ( -17.366 3.842 3.224) 18.076 6.665 ( 9.353 2.649 10.456) 14.276 6.946 ( 1.610 4.381 24.891) 25.324 7.558 ( 17.976 6.463 4.831) 19.704 7.975 ( -0.794 1.781 0.485) 2.010 8.754 ( -10.579 11.598 0.835) 15.721 8.892 ( -3.408 -2.724 3.811) 5.793 10.183 ( 15.832 18.208 -5.021) 24.645 10.298 ( 13.460 -7.858 -0.192) 15.587 11.002 ( -1.521 5.815 -3.252) 6.834 11.264 ( -1.653 18.881 -1.989) 19.057 11.518 ( 1.665 10.031 -13.091) 16.576 11.905 ( -8.439 -2.465 6.432) 10.893 12.256 ( -1.569 7.338 8.009) 10.975 12.397 ( -11.351 -18.927 7.254) 23.231 12.827 ( -5.951 -20.012 16.492) 26.606 13.170 ( -22.357 -0.208 9.716) 24.378 13.607 ( 32.452 -9.356 4.677) 34.096 14.977 ( -0.977 6.493 -7.304) 9.822 15.392 ( -4.773 2.731 -5.233) 7.591 15.563 ( -4.760 -3.216 -2.950) 6.458 16.382 ( 8.665 3.551 -2.648) 9.732 16.447 ( 11.486 -1.756 -0.259) 11.623 17.163 ( -6.813 13.070 -5.404) 15.698 17.477 ( -17.293 -5.273 -4.924) 18.738 17.986 ( 9.534 0.244 -4.592) 10.585 18.271 ( 1.346 -16.621 -8.554) 18.742 18.891 ( 4.009 1.393 3.908) 5.769 19.659 ( -10.517 3.504 -5.576) 12.409 19.824 ( 4.891 -3.035 -3.239) 6.605 20.287 ( -2.308 -16.430 -4.655) 17.232 20.964 ( 1.832 7.577 -4.886) 9.200 21.259 ( -5.272 -5.115 -10.033) 12.434 21.495 ( 2.721 -0.748 -3.074) 4.173 21.565 ( 5.126 -6.387 2.115) 8.458 22.439 ( 3.927 -0.914 2.108) 4.550 22.757 ( 1.592 -1.194 -11.052) 11.230 23.415 ( -4.539 0.554 13.310) 14.074 23.457 ( -1.899 -1.613 -0.753) 2.603 23.629 ( -0.794 1.927 4.954) 5.374 23.697 ( 1.471 -2.052 2.549) 3.588 25.779 ( -3.775 5.408 -12.924) 14.509 25.959 ( -7.507 -5.245 -13.941) 16.680 26.303 ( 7.333 2.199 -5.125) 9.213 26.454 ( 6.557 0.228 -13.590) 15.091 27.561 ( 10.480 -3.426 -8.882) 14.158 28.317 ( -11.664 1.400 -5.168) 12.835 29.000 ( -0.813 1.751 2.531) 3.183 29.547 ( -13.028 2.910 13.029) 18.654 29.721 ( 2.534 0.635 28.434) 28.554 30.148 ( -11.456 -3.799 11.420) 16.616 30.714 ( 10.384 1.824 -17.943) 20.811 30.976 ( 3.187 0.063 -9.913) 10.413 31.204 ( 17.521 -0.790 1.624) 17.614 31.870 ( -2.903 2.963 6.052) 7.337 32.362 ( -2.941 3.214 23.896) 24.290 32.502 ( -6.939 -1.319 23.750) 24.778 34.041 ( 3.346 15.809 1.863) 16.267 34.387 ( -2.233 7.967 -7.484) 11.157 34.504 ( 3.385 8.616 -9.115) 12.992 35.033 ( -8.257 -24.707 -2.658) 26.185 35.486 ( 13.758 -1.613 5.587) 14.936 36.205 ( -6.198 -3.317 1.745) 7.243 ======================= Grid point 82 (36/126) ======================= q-point: ( 0.40 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 1.992 0.282 4.377) 4.817 2.436 ( -2.525 -0.386 4.012) 4.756 2.802 ( 6.506 2.371 0.201) 6.927 2.944 ( -8.109 3.914 -0.501) 9.019 3.306 ( 6.559 -1.030 -4.491) 8.016 3.427 ( -6.067 -0.451 -5.176) 7.988 5.488 ( 2.612 1.932 8.779) 9.361 5.587 ( 1.521 0.608 20.281) 20.347 5.891 ( -3.212 2.504 9.362) 10.209 5.972 ( -14.303 3.562 7.872) 16.710 6.876 ( 8.826 13.296 14.056) 21.266 7.065 ( 7.134 -1.681 19.688) 21.008 7.766 ( 2.484 12.999 -2.806) 13.528 7.924 ( -2.602 1.232 1.994) 3.502 8.620 ( -0.470 4.887 -0.304) 4.919 8.812 ( -5.369 -7.623 5.023) 10.591 10.483 ( 12.588 11.356 -10.236) 19.804 10.557 ( 10.850 5.586 -5.639) 13.443 10.978 ( 0.364 7.252 -2.238) 7.598 11.116 ( -12.539 -3.112 -6.400) 14.418 11.619 ( 8.278 27.590 4.590) 29.168 11.743 ( -5.940 18.652 5.971) 20.466 12.241 ( 3.166 -6.558 4.981) 8.823 12.393 ( 2.808 -29.268 6.509) 30.114 12.646 ( -18.323 -8.239 10.858) 22.836 12.733 ( -10.300 -13.901 16.625) 23.994 14.233 ( 32.298 -0.540 1.415) 32.334 14.762 ( -21.788 4.857 -0.904) 22.341 15.373 ( 2.373 -1.386 -3.868) 4.745 15.453 ( -5.726 -2.965 -2.732) 7.003 16.622 ( 15.798 5.383 -7.138) 18.153 16.722 ( 14.839 -1.672 -5.519) 15.920 16.975 ( -11.018 8.907 -4.516) 14.870 17.137 ( -18.815 -2.378 -3.678) 19.318 18.136 ( 6.898 -2.578 -2.626) 7.818 18.248 ( -3.948 -9.586 -2.803) 10.740 19.057 ( 13.703 -0.336 -2.723) 13.975 19.364 ( -17.749 -2.137 -4.602) 18.460 20.000 ( 10.235 -3.142 -3.125) 11.153 20.201 ( -6.698 -13.354 -1.091) 14.979 21.021 ( 3.983 5.488 -12.612) 14.319 21.167 ( -4.681 -4.275 -12.937) 14.407 21.546 ( 3.105 -0.381 3.517) 4.707 21.598 ( -1.496 -2.347 6.804) 7.351 22.571 ( 9.039 -0.550 -4.529) 10.126 22.744 ( -4.051 -2.868 -8.950) 10.234 23.348 ( -0.595 -0.836 7.649) 7.717 23.402 ( -4.170 -1.063 1.922) 4.713 23.641 ( 1.664 1.884 6.487) 6.957 23.703 ( -0.697 -1.812 6.367) 6.656 25.746 ( 0.859 2.169 -15.578) 15.752 25.820 ( -6.381 -1.911 -15.440) 16.816 26.449 ( 7.081 1.720 -6.542) 9.792 26.533 ( 0.664 0.729 -9.602) 9.653 27.795 ( 13.906 -1.927 -9.057) 16.707 28.065 ( -14.446 -0.405 -8.080) 16.557 29.018 ( 3.295 6.807 5.514) 9.360 29.282 ( -12.443 -1.969 8.306) 15.090 29.797 ( 5.028 0.916 26.284) 26.776 29.970 ( -7.431 -4.657 23.938) 25.494 30.901 ( 8.214 1.367 -19.834) 21.511 30.993 ( -1.449 0.496 -17.351) 17.419 31.543 ( 16.914 0.594 0.707) 16.939 31.777 ( -8.118 2.154 2.115) 8.661 32.301 ( -2.714 4.708 26.396) 26.950 32.377 ( -4.674 -1.522 28.734) 29.151 34.121 ( 4.408 17.947 -0.637) 18.492 34.305 ( -4.864 18.455 0.810) 19.102 34.591 ( 3.980 -7.140 -11.929) 14.461 34.913 ( -4.185 -25.003 -2.901) 25.516 35.739 ( 12.094 3.809 1.941) 12.828 36.051 ( -9.248 -6.935 3.703) 12.138 ======================= Grid point 110 (37/126) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 0.000 0.000 18.554) 18.554 1.865 ( 0.000 0.000 0.091) 0.091 1.868 ( 0.000 0.000 36.181) 36.181 2.597 ( 0.000 0.000 24.055) 24.055 2.904 ( 0.000 0.000 44.278) 44.278 3.514 ( 0.000 0.000 27.875) 27.875 3.743 ( 0.000 0.000 -13.097) 13.097 4.198 ( 0.000 0.000 13.967) 13.967 5.302 ( 0.000 0.000 26.770) 26.770 5.909 ( 0.000 0.000 39.852) 39.852 6.328 ( 0.000 0.000 39.521) 39.521 6.866 ( 0.000 0.000 -13.027) 13.027 6.911 ( 0.000 0.000 7.617) 7.617 7.409 ( 0.000 0.000 -3.163) 3.163 7.689 ( 0.000 0.000 -0.571) 0.571 7.730 ( 0.000 0.000 -7.681) 7.681 8.419 ( 0.000 0.000 -10.400) 10.400 9.444 ( 0.000 0.000 4.849) 4.849 9.964 ( 0.000 0.000 32.618) 32.618 10.363 ( 0.000 0.000 6.582) 6.582 11.370 ( 0.000 0.000 -16.906) 16.906 12.187 ( 0.000 0.000 -5.503) 5.503 12.613 ( 0.000 0.000 5.399) 5.399 12.771 ( 0.000 0.000 -0.675) 0.675 13.902 ( 0.000 0.000 -10.542) 10.542 14.064 ( 0.000 0.000 -13.661) 13.661 14.233 ( 0.000 0.000 -6.553) 6.553 14.496 ( 0.000 0.000 -1.658) 1.658 15.717 ( 0.000 0.000 -8.546) 8.546 15.926 ( 0.000 0.000 23.505) 23.505 16.378 ( 0.000 0.000 -3.951) 3.951 17.474 ( 0.000 0.000 -9.530) 9.530 17.717 ( 0.000 0.000 9.709) 9.709 17.933 ( 0.000 0.000 8.617) 8.617 18.094 ( 0.000 0.000 -13.608) 13.608 18.284 ( 0.000 0.000 4.747) 4.747 18.786 ( 0.000 0.000 -20.766) 20.766 19.213 ( 0.000 0.000 1.712) 1.712 19.469 ( 0.000 0.000 11.939) 11.939 20.737 ( 0.000 0.000 -13.308) 13.308 20.892 ( 0.000 0.000 -13.344) 13.344 21.045 ( 0.000 0.000 -10.356) 10.356 22.473 ( 0.000 0.000 -27.110) 27.110 22.487 ( 0.000 0.000 -5.361) 5.361 22.703 ( 0.000 0.000 -28.145) 28.145 23.160 ( 0.000 0.000 -13.010) 13.010 23.857 ( 0.000 0.000 10.757) 10.757 24.014 ( 0.000 0.000 -2.829) 2.829 24.240 ( 0.000 0.000 -5.663) 5.663 25.108 ( 0.000 0.000 -9.015) 9.015 25.308 ( 0.000 0.000 -19.906) 19.906 25.320 ( 0.000 0.000 -27.497) 27.497 26.555 ( 0.000 0.000 15.152) 15.152 27.331 ( 0.000 0.000 10.324) 10.324 27.368 ( 0.000 0.000 -5.333) 5.333 27.963 ( 0.000 0.000 14.266) 14.266 28.912 ( 0.000 0.000 25.522) 25.522 28.924 ( 0.000 0.000 5.979) 5.979 29.626 ( 0.000 0.000 13.869) 13.869 29.998 ( 0.000 0.000 5.411) 5.411 30.169 ( 0.000 0.000 -8.999) 8.999 30.487 ( 0.000 0.000 -1.657) 1.657 30.669 ( 0.000 0.000 3.625) 3.625 31.618 ( 0.000 0.000 -3.306) 3.306 32.185 ( 0.000 0.000 11.764) 11.764 32.709 ( 0.000 0.000 12.258) 12.258 32.859 ( 0.000 0.000 18.704) 18.704 32.960 ( 0.000 0.000 26.181) 26.181 34.102 ( 0.000 0.000 24.033) 24.033 35.128 ( 0.000 0.000 1.472) 1.472 36.458 ( 0.000 0.000 -4.564) 4.564 38.365 ( 0.000 0.000 -36.447) 36.447 ======================= Grid point 111 (38/126) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 5.625 0.000 12.950) 14.119 1.741 ( -5.757 0.000 10.235) 11.743 2.068 ( 13.648 0.000 19.788) 24.039 2.626 ( 1.488 0.000 19.838) 19.894 3.036 ( 14.221 0.000 37.383) 39.996 3.550 ( 4.426 0.000 23.164) 23.583 3.749 ( 1.478 0.000 -2.020) 2.503 4.387 ( 17.322 0.000 13.814) 22.156 5.082 ( -20.987 0.000 26.889) 34.110 5.938 ( 4.291 0.000 39.848) 40.079 6.026 ( -27.618 0.000 28.207) 39.476 6.801 ( -10.820 0.000 3.448) 11.356 6.928 ( 2.286 0.000 6.742) 7.119 7.234 ( -9.865 0.000 -1.326) 9.954 7.821 ( 8.333 0.000 -5.486) 9.977 7.896 ( 12.760 0.000 -0.936) 12.794 8.568 ( 14.831 0.000 -9.074) 17.386 9.467 ( -1.692 0.000 12.672) 12.785 9.855 ( -5.405 0.000 15.737) 16.639 10.305 ( -5.977 0.000 6.991) 9.197 11.468 ( 8.649 0.000 -11.209) 14.158 12.133 ( -7.152 0.000 -6.405) 9.601 12.503 ( -8.460 0.000 4.207) 9.448 12.638 ( -10.640 0.000 -2.146) 10.854 14.155 ( 21.393 0.000 -11.105) 24.103 14.179 ( 6.502 0.000 -8.294) 10.538 14.309 ( 11.780 0.000 -10.708) 15.919 14.469 ( -0.998 0.000 -1.411) 1.728 15.618 ( -9.118 0.000 -8.819) 12.685 16.085 ( 15.887 0.000 22.170) 27.274 16.166 ( -20.070 0.000 -7.212) 21.326 17.494 ( -10.076 0.000 -7.019) 12.280 17.665 ( -15.762 0.000 6.807) 17.169 17.724 ( 0.366 0.000 10.015) 10.022 18.029 ( 10.185 0.000 7.450) 12.619 18.564 ( 8.559 0.000 -8.274) 11.904 18.818 ( 3.455 0.000 -18.647) 18.965 19.174 ( -4.850 0.000 4.933) 6.918 19.591 ( 14.193 0.000 1.417) 14.263 20.694 ( -16.167 0.000 -14.917) 21.997 20.782 ( 5.315 0.000 -12.157) 13.268 21.117 ( 2.427 0.000 -9.242) 9.556 22.433 ( -4.203 0.000 -10.399) 11.217 22.447 ( -2.615 0.000 -24.788) 24.926 22.758 ( 4.704 0.000 -21.811) 22.313 23.086 ( -6.817 0.000 -10.233) 12.296 23.893 ( 3.901 0.000 10.992) 11.664 24.057 ( 3.885 0.000 -1.553) 4.184 24.242 ( 0.100 0.000 -5.054) 5.055 24.776 ( -28.122 0.000 6.307) 28.821 25.287 ( -1.250 0.000 -19.537) 19.577 25.308 ( -1.209 0.000 -27.520) 27.547 26.552 ( 3.438 0.000 2.947) 4.529 27.238 ( -12.502 0.000 -5.161) 13.526 27.469 ( 11.068 0.000 13.917) 17.782 27.967 ( -1.298 0.000 15.643) 15.697 28.876 ( -2.430 0.000 21.198) 21.337 28.938 ( 0.193 0.000 6.012) 6.015 29.799 ( 14.417 0.000 5.706) 15.505 30.043 ( 5.178 0.000 4.363) 6.771 30.212 ( 1.924 0.000 -6.927) 7.189 30.460 ( -3.578 0.000 -1.323) 3.815 30.696 ( 5.446 0.000 3.181) 6.306 31.502 ( -11.761 0.000 -1.932) 11.919 32.237 ( 5.241 0.000 12.251) 13.325 32.633 ( -6.843 0.000 13.284) 14.943 32.868 ( 0.842 0.000 20.831) 20.848 32.947 ( -1.228 0.000 25.489) 25.519 34.164 ( 6.493 0.000 24.510) 25.355 34.860 ( -18.800 0.000 17.623) 25.768 37.009 ( 42.776 0.000 -30.616) 52.604 38.303 ( -6.861 0.000 -37.482) 38.105 ======================= Grid point 112 (39/126) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 3.145 0.000 6.948) 7.627 1.670 ( -2.240 0.000 7.029) 7.377 2.339 ( 14.955 0.000 13.271) 19.994 2.570 ( -8.552 0.000 12.251) 14.940 3.348 ( 16.430 0.000 17.056) 23.683 3.565 ( -6.185 0.000 2.237) 6.577 3.949 ( 22.754 0.000 32.480) 39.657 4.447 ( -24.515 0.000 32.321) 40.566 4.938 ( 20.656 0.000 14.566) 25.275 5.458 ( -31.647 0.000 19.828) 37.346 6.114 ( 15.385 0.000 35.637) 38.816 6.474 ( -21.569 0.000 22.468) 31.145 6.998 ( 5.008 0.000 4.703) 6.871 7.101 ( -5.944 0.000 1.845) 6.224 7.975 ( 6.977 0.000 -1.252) 7.088 8.034 ( 1.606 0.000 0.206) 1.619 8.900 ( 19.763 0.000 -3.695) 20.105 9.256 ( -17.936 0.000 8.925) 20.034 9.944 ( 11.451 0.000 4.404) 12.269 10.155 ( -10.239 0.000 6.459) 12.106 11.650 ( 11.532 0.000 -6.111) 13.051 11.905 ( -15.403 0.000 -5.883) 16.488 12.422 ( -0.093 0.000 1.050) 1.054 12.477 ( -5.962 0.000 -1.874) 6.249 14.252 ( 3.331 0.000 -4.743) 5.795 14.314 ( -2.578 0.000 -4.821) 5.467 14.603 ( 14.871 0.000 -13.217) 19.896 14.654 ( 13.011 0.000 -11.683) 17.486 15.484 ( -0.034 0.000 -9.215) 9.215 15.742 ( -23.335 0.000 -10.689) 25.666 16.472 ( 25.280 0.000 19.293) 31.801 16.991 ( -30.442 0.000 12.943) 33.079 17.678 ( 3.406 0.000 3.413) 4.821 17.719 ( -1.121 0.000 7.747) 7.828 18.277 ( 15.383 0.000 5.551) 16.354 18.531 ( -10.077 0.000 -1.313) 10.162 18.908 ( 6.206 0.000 -11.910) 13.430 19.043 ( -8.135 0.000 -0.308) 8.141 19.950 ( 22.240 0.000 -12.190) 25.362 20.351 ( -20.656 0.000 -15.901) 26.067 20.929 ( 9.666 0.000 -10.174) 14.034 21.084 ( -5.852 0.000 -8.961) 10.702 22.378 ( -1.167 0.000 -14.491) 14.538 22.394 ( -2.484 0.000 -19.110) 19.271 22.850 ( 5.247 0.000 -14.854) 15.754 22.957 ( -6.510 0.000 -9.837) 11.796 24.004 ( 8.090 0.000 12.532) 14.916 24.112 ( 0.099 0.000 5.189) 5.189 24.241 ( 0.117 0.000 -4.143) 4.145 24.342 ( -15.519 0.000 6.050) 16.657 25.272 ( -0.126 0.000 -23.718) 23.718 25.284 ( -1.214 0.000 -26.759) 26.787 26.705 ( 12.243 0.000 -4.486) 13.039 26.969 ( -15.495 0.000 -5.360) 16.396 27.680 ( 11.512 0.000 17.467) 20.919 27.874 ( -8.692 0.000 17.985) 19.975 28.869 ( 1.760 0.000 14.128) 14.237 28.915 ( -2.437 0.000 9.193) 9.510 30.024 ( 9.566 0.000 -0.978) 9.616 30.171 ( -6.030 0.000 -4.019) 7.247 30.189 ( 9.582 0.000 1.923) 9.773 30.351 ( -7.663 0.000 0.530) 7.682 30.909 ( 16.138 0.000 1.232) 16.185 31.226 ( -17.107 0.000 0.013) 17.107 32.358 ( 7.398 0.000 13.367) 15.278 32.497 ( -7.576 0.000 14.138) 16.041 32.889 ( 1.471 0.000 22.577) 22.625 32.919 ( -1.701 0.000 24.028) 24.088 34.328 ( 10.994 0.000 25.223) 27.515 34.559 ( -14.127 0.000 24.501) 28.282 37.693 ( 29.401 0.000 -42.179) 51.415 38.100 ( -15.756 0.000 -40.308) 43.278 ======================= Grid point 115 (40/126) ======================= q-point: ( 0.00 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.000 2.994 13.430) 13.760 2.020 ( 0.000 13.073 4.014) 13.676 2.025 ( 0.000 13.804 28.676) 31.826 2.774 ( 0.000 5.251 12.868) 13.898 3.026 ( 0.000 12.446 33.559) 35.792 3.666 ( 0.000 -6.552 -11.653) 13.369 3.934 ( 0.000 37.412 24.998) 44.995 4.284 ( 0.000 8.189 14.231) 16.419 5.550 ( 0.000 21.381 21.397) 30.249 5.935 ( 0.000 4.921 41.362) 41.654 6.511 ( 0.000 17.074 43.954) 47.153 6.744 ( 0.000 -9.156 -11.362) 14.592 6.969 ( 0.000 4.744 5.771) 7.471 7.241 ( 0.000 -8.459 -8.248) 11.814 7.585 ( 0.000 -3.754 2.414) 4.463 7.934 ( 0.000 13.624 -0.504) 13.633 8.756 ( 0.000 21.799 -4.125) 22.186 9.488 ( 0.000 3.883 5.657) 6.861 9.720 ( 0.000 -11.125 22.328) 24.947 10.631 ( 0.000 16.924 8.483) 18.931 11.404 ( 0.000 2.906 -15.238) 15.513 12.136 ( 0.000 -3.914 -7.039) 8.054 12.602 ( 0.000 -1.541 4.807) 5.048 12.886 ( 0.000 9.320 0.778) 9.352 13.712 ( 0.000 -13.156 -13.214) 18.646 14.008 ( 0.000 -5.567 -11.716) 12.972 14.295 ( 0.000 1.401 -3.693) 3.950 14.468 ( 0.000 -2.507 -0.544) 2.566 15.681 ( 0.000 -3.329 -8.813) 9.421 15.876 ( 0.000 -3.428 20.921) 21.200 16.403 ( 0.000 1.833 -2.561) 3.150 17.227 ( 0.000 -26.460 -1.650) 26.511 17.553 ( 0.000 -3.796 -6.337) 7.387 17.627 ( 0.000 -20.015 7.122) 21.244 18.274 ( 0.000 8.924 -8.969) 12.653 18.451 ( 0.000 8.157 4.305) 9.223 18.994 ( 0.000 18.223 -13.838) 22.882 19.198 ( 0.000 -1.236 0.155) 1.246 19.442 ( 0.000 -2.577 7.515) 7.944 20.669 ( 0.000 -4.766 -15.069) 15.805 21.056 ( 0.000 0.678 -10.754) 10.775 21.078 ( 0.000 13.424 -12.730) 18.500 22.271 ( 0.000 -11.242 -17.296) 20.629 22.524 ( 0.000 -15.284 -20.693) 25.725 22.616 ( 0.000 4.376 -15.115) 15.736 23.134 ( 0.000 -3.024 -12.788) 13.141 23.726 ( 0.000 -7.922 5.966) 9.918 23.978 ( 0.000 -15.799 -3.114) 16.103 24.144 ( 0.000 6.955 6.575) 9.571 24.937 ( 0.000 -26.073 -9.172) 27.639 25.317 ( 0.000 1.163 -20.321) 20.355 25.388 ( 0.000 10.196 -17.804) 20.516 26.306 ( 0.000 -15.944 13.371) 20.808 27.009 ( 0.000 -22.939 8.140) 24.341 27.653 ( 0.000 17.920 -16.402) 24.293 28.034 ( 0.000 0.155 8.552) 8.554 29.024 ( 0.000 8.145 7.240) 10.897 29.061 ( 0.000 13.623 20.820) 24.881 29.497 ( 0.000 -6.758 11.485) 13.326 29.936 ( 0.000 0.762 5.434) 5.487 30.314 ( 0.000 7.693 -7.604) 10.817 30.602 ( 0.000 11.915 3.886) 12.533 30.967 ( 0.000 19.401 4.844) 19.997 31.662 ( 0.000 2.767 1.958) 3.390 32.291 ( 0.000 9.860 11.433) 15.097 32.667 ( 0.000 -2.651 12.392) 12.673 32.873 ( 0.000 3.149 24.561) 24.762 33.045 ( 0.000 6.678 10.388) 12.349 34.211 ( 0.000 9.437 20.235) 22.328 35.137 ( 0.000 1.084 2.958) 3.150 36.200 ( 0.000 -19.952 0.470) 19.958 38.209 ( 0.000 -16.021 -32.626) 36.347 ======================= Grid point 116 (41/126) ======================= q-point: ( 0.20 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 5.593 3.099 9.726) 11.640 1.949 ( -3.006 14.299 9.304) 17.323 2.175 ( 10.870 10.157 17.363) 22.865 2.736 ( -3.813 4.326 12.861) 14.094 3.136 ( 10.722 8.606 26.326) 29.700 3.646 ( -2.033 -3.381 -8.877) 9.714 3.988 ( 8.218 31.140 26.953) 41.996 4.488 ( 18.374 10.946 15.040) 26.146 5.339 ( -20.713 22.224 21.658) 37.309 5.963 ( 1.321 4.824 38.682) 39.004 6.118 ( -27.263 7.133 25.429) 37.958 6.773 ( -7.485 -1.313 8.666) 11.526 6.931 ( -0.202 5.087 8.321) 9.755 7.324 ( 4.916 4.421 -3.209) 7.349 7.726 ( 11.539 -2.810 4.024) 12.539 7.956 ( 3.624 5.809 -2.139) 7.173 8.845 ( 8.169 19.708 -3.822) 21.674 9.375 ( -9.778 -8.816 16.808) 21.351 9.829 ( 10.238 4.091 7.742) 13.472 10.524 ( -9.696 16.154 5.484) 19.623 11.505 ( 8.635 3.336 -11.058) 14.421 12.127 ( -1.372 -1.888 -6.857) 7.243 12.417 ( -15.142 -3.247 1.110) 15.526 12.787 ( -9.307 9.591 2.664) 13.627 13.844 ( 10.031 -17.494 -12.326) 23.635 14.079 ( 5.110 -11.685 -10.406) 16.460 14.438 ( 14.970 4.391 -4.200) 16.156 14.503 ( 5.421 1.361 -2.317) 6.051 15.580 ( -9.466 -3.627 -8.583) 13.283 15.975 ( 5.967 -6.853 14.730) 17.307 16.225 ( -12.607 2.920 -1.044) 12.983 17.151 ( -10.703 -25.428 5.740) 28.180 17.522 ( 0.042 0.230 -6.158) 6.162 17.763 ( 11.085 -17.910 4.023) 21.444 18.133 ( -6.343 12.705 8.244) 16.420 18.531 ( 1.386 -0.388 -7.934) 8.063 18.967 ( -3.010 9.582 -10.165) 14.289 19.290 ( 3.216 10.271 -2.158) 10.977 19.547 ( 15.717 -3.499 -0.192) 16.103 20.695 ( -1.259 -3.220 -12.657) 13.120 20.825 ( -10.927 5.795 -14.220) 18.846 21.188 ( 2.324 6.030 -9.956) 11.869 22.248 ( -1.945 -9.921 -18.097) 20.730 22.539 ( 0.591 -14.820 -15.428) 21.401 22.592 ( -1.833 2.781 -16.148) 16.488 23.053 ( -6.614 -4.050 -10.285) 12.882 23.769 ( 3.614 -7.274 4.662) 9.365 23.971 ( -0.571 -14.329 -1.966) 14.475 24.194 ( 4.897 6.015 6.778) 10.301 24.809 ( -12.968 -14.667 -0.800) 19.594 25.238 ( -4.995 1.558 -21.394) 22.024 25.351 ( -3.991 6.355 -17.199) 18.765 26.330 ( 3.930 -15.140 4.679) 16.326 27.017 ( -0.636 -21.282 4.306) 21.723 27.583 ( -4.058 13.212 -5.759) 14.973 28.055 ( 0.663 1.253 7.098) 7.238 28.906 ( -10.242 4.003 19.706) 22.567 29.036 ( -0.977 8.465 8.181) 11.813 29.669 ( 13.836 -5.808 5.486) 15.977 30.062 ( 10.949 5.322 3.411) 12.643 30.303 ( -1.380 5.841 -5.486) 8.131 30.684 ( 8.071 14.225 3.217) 16.668 30.908 ( -5.207 17.270 4.994) 18.716 31.542 ( -11.715 2.898 1.881) 12.214 32.357 ( 6.113 10.936 11.320) 16.885 32.670 ( -0.538 2.066 11.010) 11.215 32.840 ( -2.608 0.969 24.670) 24.826 32.997 ( -4.013 3.869 16.568) 17.480 34.267 ( 5.813 8.968 20.454) 23.078 34.915 ( -15.742 5.476 15.702) 22.899 36.682 ( 38.258 -26.576 -21.832) 51.445 38.150 ( -6.410 -15.972 -33.042) 37.255 ======================= Grid point 117 (42/126) ======================= q-point: ( 0.40 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 3.443 4.297 4.388) 7.040 1.904 ( -1.660 13.604 5.831) 14.894 2.403 ( 12.999 5.871 12.902) 19.233 2.621 ( -9.205 3.454 10.945) 14.712 3.348 ( 9.609 0.093 10.119) 13.955 3.593 ( -3.576 0.581 -1.656) 3.984 4.272 ( 22.242 27.145 28.542) 45.235 4.705 ( -14.172 20.827 26.725) 36.727 5.055 ( 11.093 13.229 15.929) 23.490 5.517 ( -30.262 6.365 20.074) 36.868 6.165 ( 14.755 6.583 34.066) 37.703 6.497 ( -19.087 4.062 22.768) 29.987 6.959 ( 1.435 3.179 6.728) 7.578 7.362 ( 0.109 15.903 5.511) 16.831 7.918 ( 8.958 -2.500 2.390) 9.602 8.018 ( -0.146 -0.437 -0.804) 0.926 9.009 ( 9.165 9.462 0.297) 13.176 9.189 ( -9.690 -6.113 11.153) 15.989 10.059 ( 13.396 10.880 3.215) 17.555 10.321 ( -11.827 15.084 2.987) 19.399 11.651 ( 5.997 0.971 -7.618) 9.744 12.031 ( -8.047 8.150 -5.744) 12.813 12.240 ( -2.222 -7.378 -1.448) 7.840 12.630 ( -5.556 6.619 2.928) 9.124 13.973 ( 3.503 -20.351 -8.029) 22.156 14.127 ( 0.369 -14.637 -9.162) 17.271 14.682 ( 11.782 2.399 -6.972) 13.899 14.736 ( 10.515 3.253 -8.207) 13.729 15.424 ( -3.538 -5.660 -6.835) 9.554 15.748 ( -18.497 -0.197 -8.157) 20.217 16.353 ( 15.790 -7.389 14.631) 22.759 16.859 ( -17.208 -12.641 12.166) 24.575 17.545 ( 1.151 1.936 -1.700) 2.822 17.912 ( 2.629 -7.235 5.552) 9.491 18.170 ( 10.243 -2.534 8.148) 13.331 18.448 ( -9.354 -3.011 0.263) 9.830 18.925 ( -0.908 7.165 -12.039) 14.039 19.271 ( -2.144 10.577 -4.546) 11.710 19.958 ( 24.769 2.233 -10.499) 26.995 20.399 ( -22.180 4.369 -13.719) 26.443 20.882 ( 6.806 -3.769 -11.413) 13.813 21.164 ( -3.535 5.781 -9.375) 11.567 22.219 ( -0.885 -8.211 -19.061) 20.773 22.507 ( -2.256 -3.998 -3.329) 5.670 22.592 ( 0.745 -10.120 -20.494) 22.869 22.960 ( -2.708 -4.159 -10.107) 11.260 23.825 ( 1.877 -8.704 3.360) 9.517 23.960 ( -0.482 -11.180 -0.114) 11.191 24.303 ( 5.991 3.045 7.432) 10.020 24.566 ( -10.358 4.278 6.980) 13.203 25.181 ( -1.379 -1.153 -21.211) 21.287 25.283 ( -2.342 -1.861 -23.013) 23.207 26.431 ( 4.858 -15.511 -1.796) 16.353 26.964 ( -3.627 -11.657 -3.681) 12.752 27.570 ( 1.527 2.463 7.376) 7.925 28.028 ( -2.609 4.527 6.952) 8.696 28.794 ( -1.803 -4.137 16.702) 17.301 28.987 ( -2.870 6.538 11.439) 13.485 29.928 ( 13.280 -2.317 -2.979) 13.806 30.130 ( -6.406 1.183 -4.495) 7.914 30.348 ( 6.489 11.414 6.272) 14.551 30.714 ( -5.273 22.536 2.888) 23.324 30.976 ( 13.808 5.504 3.243) 15.214 31.280 ( -15.592 4.981 2.035) 16.494 32.479 ( 6.340 11.239 9.968) 16.305 32.615 ( -4.876 10.820 11.695) 16.662 32.827 ( 1.019 -4.270 26.346) 26.710 32.930 ( -2.730 0.416 20.451) 20.637 34.405 ( 8.071 6.542 20.089) 22.617 34.666 ( -10.617 10.537 22.224) 26.789 37.281 ( 21.781 -32.919 -36.339) 53.652 37.992 ( -8.783 -14.149 -33.439) 37.356 ======================= Grid point 120 (43/126) ======================= q-point: ( 0.00 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 0.000 20.727 0.826) 20.743 2.300 ( 0.000 13.306 4.374) 14.006 2.341 ( 0.000 14.863 14.729) 20.925 2.789 ( 0.000 -1.711 10.493) 10.631 3.277 ( 0.000 9.851 11.579) 15.203 3.510 ( 0.000 -8.237 -9.818) 12.816 4.544 ( 0.000 17.830 15.551) 23.659 4.747 ( 0.000 36.370 26.612) 45.066 6.011 ( 0.000 20.065 12.052) 23.407 6.166 ( 0.000 14.482 20.023) 24.711 6.541 ( 0.000 -6.494 -3.949) 7.601 6.805 ( 0.000 5.951 34.124) 34.639 7.201 ( 0.000 17.141 10.356) 20.026 7.377 ( 0.000 25.453 6.276) 26.215 7.611 ( 0.000 7.484 8.460) 11.296 8.232 ( 0.000 17.546 9.098) 19.765 8.901 ( 0.000 -6.123 23.689) 24.467 9.581 ( 0.000 4.820 6.827) 8.357 9.874 ( 0.000 24.605 -4.499) 25.013 10.956 ( 0.000 14.536 1.107) 14.578 11.451 ( 0.000 -0.062 -9.436) 9.436 12.060 ( 0.000 -2.970 -5.433) 6.192 12.509 ( 0.000 -8.597 2.945) 9.088 13.063 ( 0.000 5.881 -1.223) 6.006 13.539 ( 0.000 -0.297 -15.415) 15.417 13.829 ( 0.000 -11.534 -7.485) 13.750 14.204 ( 0.000 -10.177 -0.718) 10.202 14.421 ( 0.000 -1.681 6.870) 7.073 15.593 ( 0.000 -4.971 -8.578) 9.914 15.855 ( 0.000 2.030 16.923) 17.045 16.424 ( 0.000 -0.295 2.086) 2.107 16.618 ( 0.000 -30.476 -7.687) 31.430 17.280 ( 0.000 -12.153 1.905) 12.301 17.443 ( 0.000 -8.430 -5.380) 10.000 18.430 ( 0.000 6.703 -7.525) 10.078 18.554 ( 0.000 2.510 1.610) 2.982 19.156 ( 0.000 -3.490 -4.320) 5.554 19.268 ( 0.000 -2.214 4.886) 5.364 19.511 ( 0.000 18.442 -13.362) 22.774 20.530 ( 0.000 -9.401 -16.262) 18.784 21.043 ( 0.000 -2.759 -12.669) 12.966 21.319 ( 0.000 8.143 -9.290) 12.354 22.028 ( 0.000 -12.541 -17.819) 21.790 22.196 ( 0.000 -14.784 -16.404) 22.083 22.665 ( 0.000 0.802 -11.133) 11.161 23.007 ( 0.000 -10.017 -6.227) 11.795 23.586 ( 0.000 -5.514 5.241) 7.608 23.731 ( 0.000 -8.919 -5.753) 10.614 24.203 ( 0.000 -1.981 17.483) 17.595 24.329 ( 0.000 -28.033 2.026) 28.106 25.378 ( 0.000 5.360 -22.020) 22.664 25.519 ( 0.000 2.255 -12.297) 12.502 26.036 ( 0.000 -9.632 0.202) 9.634 26.594 ( 0.000 -15.705 1.751) 15.802 27.909 ( 0.000 -10.925 -0.412) 10.933 27.945 ( 0.000 10.788 -17.551) 20.601 29.114 ( 0.000 -0.864 2.365) 2.518 29.403 ( 0.000 17.952 14.103) 22.830 29.518 ( 0.000 9.072 16.632) 18.945 30.053 ( 0.000 8.209 3.024) 8.748 30.420 ( 0.000 3.656 -2.379) 4.362 30.877 ( 0.000 11.737 8.414) 14.441 31.318 ( 0.000 15.058 4.118) 15.611 31.660 ( 0.000 -3.177 17.221) 17.511 32.503 ( 0.000 7.048 19.121) 20.379 32.723 ( 0.000 12.330 2.930) 12.674 32.985 ( 0.000 6.164 28.525) 29.184 33.211 ( 0.000 9.906 -7.050) 12.159 34.415 ( 0.000 8.760 11.328) 14.320 35.186 ( 0.000 4.134 7.705) 8.744 35.827 ( 0.000 -14.674 -1.726) 14.775 37.723 ( 0.000 -29.999 -22.105) 37.264 ======================= Grid point 121 (44/126) ======================= q-point: ( 0.20 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 4.134 19.399 -0.255) 19.836 2.250 ( -3.277 14.268 5.264) 15.557 2.415 ( 5.728 11.484 11.965) 17.546 2.762 ( -2.918 -0.721 10.443) 10.867 3.300 ( 2.288 5.762 6.568) 9.032 3.531 ( 1.919 -6.448 -7.277) 9.911 4.551 ( 4.919 21.543 17.366) 28.104 4.944 ( 16.783 30.630 25.927) 43.498 5.799 ( -21.137 17.807 8.767) 28.995 6.156 ( -12.208 8.652 16.248) 22.088 6.286 ( -7.185 13.768 21.858) 26.813 6.808 ( -2.404 5.716 17.685) 18.741 7.181 ( -0.583 14.187 10.216) 17.492 7.505 ( 2.812 17.458 9.495) 20.071 7.760 ( 17.388 7.537 10.296) 21.568 8.203 ( -1.036 20.692 7.578) 22.060 8.998 ( 7.361 -6.446 21.263) 23.407 9.364 ( -14.784 10.030 2.581) 18.051 10.088 ( 15.808 19.981 -1.437) 25.519 10.859 ( -8.319 15.254 0.971) 17.402 11.575 ( 9.294 2.108 -9.421) 13.401 12.029 ( -2.366 -6.638 -3.632) 7.928 12.373 ( -10.731 -3.520 0.075) 11.294 12.964 ( -10.006 6.552 2.498) 12.219 13.556 ( 0.332 -8.232 -13.187) 15.549 13.820 ( 0.964 -11.487 -8.813) 14.511 14.364 ( 13.348 -10.266 0.518) 16.847 14.509 ( 9.595 -2.276 2.323) 10.131 15.472 ( -11.198 -6.776 -7.195) 14.936 15.889 ( -0.529 -0.782 11.096) 11.136 16.239 ( -8.731 -2.636 1.756) 9.288 16.725 ( 2.089 -14.818 -4.946) 15.761 17.303 ( 5.677 -18.861 4.211) 20.142 17.516 ( 6.050 -6.809 -6.336) 11.095 18.292 ( -10.790 4.144 5.038) 12.609 18.572 ( -0.860 3.327 -3.607) 4.982 19.094 ( -2.396 1.847 -7.698) 8.271 19.369 ( 2.386 -5.520 -7.206) 9.385 19.662 ( 18.335 17.023 -6.544) 25.860 20.555 ( 2.066 -10.233 -13.936) 17.412 20.933 ( -10.603 2.635 -11.888) 16.146 21.308 ( -1.451 4.399 -9.549) 10.613 22.031 ( 0.101 -11.850 -18.876) 22.287 22.181 ( -1.522 -15.902 -13.067) 20.639 22.659 ( -0.682 1.684 -12.473) 12.605 22.907 ( -8.048 -10.026 -3.275) 13.267 23.636 ( 3.409 -5.929 2.354) 7.233 23.744 ( 1.528 -8.413 -4.551) 9.686 24.168 ( -2.745 -11.906 9.380) 15.403 24.386 ( 4.970 -16.800 11.798) 21.122 25.232 ( -7.577 0.587 -18.857) 20.331 25.563 ( -4.652 9.849 -17.541) 20.648 26.069 ( 6.330 -9.737 -0.732) 11.637 26.615 ( 1.687 -15.693 1.560) 15.860 27.819 ( -8.207 7.150 -12.653) 16.691 27.959 ( 2.024 -7.317 -3.605) 8.404 28.984 ( -13.198 2.494 14.483) 19.752 29.276 ( -6.030 13.800 7.538) 16.841 29.694 ( 13.496 7.295 10.255) 18.454 30.194 ( 9.121 6.221 -2.390) 11.296 30.422 ( 2.031 5.556 3.511) 6.879 30.944 ( 6.621 9.487 8.835) 14.557 31.259 ( -6.226 16.074 4.579) 17.835 31.579 ( -7.622 0.754 13.188) 15.251 32.555 ( 4.623 3.013 22.282) 22.955 32.753 ( 3.143 12.752 3.329) 13.549 32.973 ( -1.272 7.893 26.764) 27.933 33.120 ( -8.305 10.210 -2.155) 13.336 34.463 ( 4.567 8.615 11.006) 14.704 35.084 ( -7.657 10.753 12.246) 18.006 36.126 ( 25.627 -25.153 -13.285) 38.287 37.664 ( -6.067 -29.786 -21.612) 37.298 ======================= Grid point 122 (45/126) ======================= q-point: ( 0.40 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 3.048 17.366 -2.287) 17.779 2.193 ( -2.249 14.244 3.490) 14.837 2.541 ( 7.740 6.439 11.300) 15.135 2.678 ( -6.337 2.046 10.302) 12.267 3.342 ( 1.633 -0.944 -1.636) 2.497 3.562 ( 1.086 -3.509 -3.171) 4.853 4.776 ( 19.181 20.101 15.533) 31.831 5.165 ( -10.329 22.054 18.713) 30.712 5.444 ( 2.894 20.812 19.559) 28.706 5.773 ( -21.902 18.668 26.117) 38.862 6.377 ( 8.561 10.125 14.543) 19.680 6.696 ( -8.497 17.614 20.899) 28.622 7.139 ( -2.265 10.196 14.060) 17.515 7.573 ( 3.487 4.043 9.162) 10.604 8.011 ( 7.858 17.260 10.311) 21.587 8.218 ( 0.991 23.296 7.129) 24.383 9.033 ( -3.408 -6.817 11.008) 13.389 9.220 ( -0.038 8.833 6.380) 10.897 10.367 ( 12.827 18.529 -0.399) 22.539 10.692 ( -8.953 18.969 0.836) 20.992 11.679 ( 2.216 0.163 -6.964) 7.310 11.939 ( -6.843 -11.265 -3.693) 13.688 12.347 ( 8.743 8.401 -2.367) 12.354 12.726 ( -13.587 3.690 3.275) 14.455 13.563 ( 0.481 -16.436 -8.190) 18.370 13.837 ( 0.401 -11.894 -8.781) 14.789 14.607 ( 11.455 -10.046 -0.760) 15.255 14.693 ( 5.677 -8.031 -2.820) 10.231 15.276 ( -7.087 -7.604 -3.908) 11.104 15.728 ( -10.416 -0.613 -1.243) 10.508 16.291 ( 8.892 1.260 4.642) 10.110 16.635 ( -8.450 -6.576 1.632) 10.831 17.485 ( 10.028 -23.209 3.544) 25.530 17.605 ( 2.144 -4.476 -7.569) 9.051 18.110 ( -7.088 -2.356 9.443) 12.040 18.525 ( -2.719 5.447 5.228) 8.024 19.086 ( 0.779 6.627 -16.515) 17.812 19.352 ( -1.996 -1.971 -12.291) 12.607 20.083 ( 24.097 9.035 -8.049) 26.965 20.481 ( -14.704 1.277 -8.741) 17.153 20.786 ( -1.363 -4.846 -10.940) 12.043 21.265 ( -2.356 3.490 -9.517) 10.407 22.032 ( 0.126 -11.194 -21.867) 24.566 22.147 ( -1.665 -17.469 -5.874) 18.506 22.645 ( -0.581 3.312 -15.648) 16.005 22.797 ( -3.042 -10.467 -0.716) 10.923 23.674 ( 0.898 -6.646 0.049) 6.706 23.772 ( 0.908 -8.196 -3.243) 8.861 24.130 ( -1.080 -15.419 2.523) 15.661 24.464 ( 2.492 -11.885 22.733) 25.773 25.197 ( 4.379 2.576 -20.081) 20.714 25.369 ( -12.576 7.826 -18.495) 23.695 26.219 ( 6.352 -5.089 -6.054) 10.144 26.635 ( 0.261 -15.429 1.404) 15.495 27.705 ( -3.162 6.967 -9.148) 11.926 27.980 ( 0.045 -7.551 -6.107) 9.712 28.783 ( -6.060 3.194 20.128) 21.262 29.182 ( -3.437 11.550 11.452) 16.624 29.963 ( 13.785 3.535 -0.479) 14.240 30.194 ( -7.142 5.282 -9.140) 12.745 30.555 ( 8.041 7.808 15.514) 19.139 31.031 ( -1.805 2.377 5.963) 6.669 31.181 ( 3.295 18.760 8.223) 20.746 31.422 ( -8.256 8.434 6.150) 13.308 32.631 ( 2.720 -2.606 26.174) 26.443 32.833 ( 5.357 11.910 4.581) 13.839 32.944 ( -2.143 13.225 17.840) 22.311 32.966 ( -6.725 9.446 9.398) 14.926 34.549 ( 3.536 6.746 9.916) 12.503 34.966 ( -4.139 17.455 15.916) 23.982 36.550 ( 15.440 -35.833 -25.878) 46.819 37.533 ( -6.171 -28.506 -19.554) 35.114 ======================= Grid point 125 (46/126) ======================= q-point: ( 0.00 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 0.000 17.091 -3.469) 17.440 2.552 ( 0.000 10.898 5.695) 12.297 2.575 ( 0.000 7.691 5.302) 9.341 2.742 ( 0.000 -1.999 6.054) 6.375 3.345 ( 0.000 -7.577 -7.431) 10.613 3.407 ( 0.000 3.161 -0.198) 3.167 5.005 ( 0.000 25.659 13.612) 29.046 5.351 ( 0.000 22.886 30.711) 38.300 6.209 ( 0.000 -5.060 -12.584) 13.563 6.283 ( 0.000 7.455 6.296) 9.758 6.719 ( 0.000 16.281 9.800) 19.003 7.000 ( 0.000 16.092 32.209) 36.005 7.414 ( 0.000 1.444 13.179) 13.258 7.823 ( 0.000 11.907 11.580) 16.610 8.010 ( 0.000 26.767 14.316) 30.355 8.777 ( 0.000 31.657 20.138) 37.520 8.919 ( 0.000 15.963 26.206) 30.685 9.721 ( 0.000 13.011 6.765) 14.664 10.402 ( 0.000 22.665 -10.639) 25.038 11.201 ( 0.000 8.554 -7.794) 11.573 11.306 ( 0.000 -15.768 -1.762) 15.866 12.045 ( 0.000 2.176 -0.582) 2.252 12.314 ( 0.000 -6.913 1.746) 7.131 13.054 ( 0.000 -6.851 -3.057) 7.502 13.609 ( 0.000 -8.123 -1.896) 8.342 13.660 ( 0.000 0.477 -2.716) 2.758 14.002 ( 0.000 1.303 -11.611) 11.684 14.371 ( 0.000 -4.634 17.858) 18.450 15.491 ( 0.000 -4.368 -7.207) 8.427 15.808 ( 0.000 -17.524 10.178) 20.265 16.175 ( 0.000 -1.800 -11.286) 11.429 16.405 ( 0.000 -0.328 6.854) 6.862 17.164 ( 0.000 0.568 -6.017) 6.044 17.205 ( 0.000 -14.202 -4.989) 15.052 18.489 ( 0.000 -3.976 -1.479) 4.242 18.565 ( 0.000 -2.121 -4.175) 4.683 19.039 ( 0.000 -7.376 -5.187) 9.017 19.172 ( 0.000 -1.842 -6.408) 6.668 19.935 ( 0.000 19.442 -11.944) 22.817 20.283 ( 0.000 -14.347 -15.859) 21.385 20.926 ( 0.000 -8.380 -14.841) 17.043 21.374 ( 0.000 -2.101 -6.928) 7.240 21.759 ( 0.000 -13.486 -13.894) 19.362 21.926 ( 0.000 -13.030 -15.549) 20.286 22.661 ( 0.000 -1.096 -5.686) 5.790 22.750 ( 0.000 -12.688 5.145) 13.691 23.501 ( 0.000 -2.991 2.921) 4.181 23.590 ( 0.000 -5.049 -7.732) 9.234 23.908 ( 0.000 -12.934 0.782) 12.957 24.097 ( 0.000 -6.516 24.797) 25.639 25.521 ( 0.000 -0.618 -7.135) 7.162 25.534 ( 0.000 9.313 -22.490) 24.343 25.912 ( 0.000 -3.405 -10.894) 11.414 26.374 ( 0.000 -6.707 -3.547) 7.587 27.645 ( 0.000 -13.741 -7.511) 15.659 28.120 ( 0.000 6.815 -14.236) 15.783 29.067 ( 0.000 -2.445 1.036) 2.656 29.733 ( 0.000 13.340 12.392) 18.207 29.749 ( 0.000 11.620 13.708) 17.970 30.208 ( 0.000 6.628 0.029) 6.628 30.478 ( 0.000 2.050 7.437) 7.715 31.027 ( 0.000 3.080 10.169) 10.625 31.468 ( 0.000 -4.743 16.559) 17.225 31.683 ( 0.000 10.372 11.032) 15.142 32.627 ( 0.000 6.996 23.086) 24.122 33.066 ( 0.000 1.530 24.210) 24.258 33.103 ( 0.000 21.400 -3.734) 21.723 33.475 ( 0.000 16.106 -5.672) 17.076 34.520 ( 0.000 1.111 3.222) 3.408 35.313 ( 0.000 7.814 12.673) 14.889 35.594 ( 0.000 -9.551 -10.684) 14.331 37.069 ( 0.000 -31.664 -9.913) 33.180 ======================= Grid point 126 (47/126) ======================= q-point: ( 0.20 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 2.205 16.477 -3.680) 17.026 2.517 ( -2.782 11.459 2.407) 12.035 2.595 ( 1.407 5.592 9.080) 10.756 2.739 ( -0.345 -0.427 6.392) 6.416 3.322 ( -1.530 -3.996 -6.849) 8.076 3.435 ( 2.078 -1.887 -1.897) 3.388 5.021 ( 3.603 24.701 13.149) 28.214 5.490 ( 12.419 20.305 29.318) 37.763 5.993 ( -18.426 4.290 -0.315) 18.922 6.261 ( -4.691 3.581 2.792) 6.529 6.667 ( -4.640 19.718 18.835) 27.660 7.029 ( 1.875 15.284 16.864) 22.836 7.400 ( 0.956 2.356 22.025) 22.172 7.699 ( -10.947 11.002 7.281) 17.143 8.232 ( 19.588 22.643 13.137) 32.696 8.825 ( 3.534 36.384 18.142) 40.810 8.996 ( 6.851 12.180 23.162) 27.051 9.593 ( -11.690 16.596 2.926) 20.510 10.526 ( 11.696 19.469 -6.737) 23.690 11.093 ( -5.491 6.119 -2.371) 8.556 11.479 ( 9.563 -13.451 -5.647) 17.443 11.929 ( -9.943 -1.645 0.689) 10.102 12.268 ( -3.291 -4.025 -0.642) 5.239 12.993 ( -6.126 -3.388 2.372) 7.391 13.471 ( -6.439 -5.178 -7.205) 10.963 13.732 ( -1.337 1.273 0.051) 1.847 14.141 ( 13.657 -4.777 -7.651) 16.367 14.376 ( 1.501 -10.523 12.285) 16.245 15.337 ( -11.260 -5.002 -5.571) 13.522 15.891 ( -1.310 -4.567 10.670) 11.680 16.133 ( 3.216 -2.783 -7.986) 9.048 16.541 ( 11.451 -4.228 -2.261) 12.414 17.033 ( -8.409 -6.311 -2.742) 10.865 17.318 ( 6.683 -11.393 -5.274) 14.222 18.329 ( -11.633 -1.284 2.666) 12.003 18.603 ( -0.729 -2.030 -3.269) 3.917 19.030 ( 2.348 -7.348 -6.890) 10.343 19.273 ( 5.638 -1.539 -14.159) 15.318 20.022 ( 9.342 15.098 -8.506) 19.687 20.293 ( 2.063 -13.875 -14.894) 20.460 20.893 ( -4.910 -6.522 -13.131) 15.462 21.338 ( -2.809 -1.390 -6.543) 7.255 21.749 ( -1.250 -15.478 -14.598) 21.313 21.912 ( -1.510 -11.103 -13.038) 17.191 22.644 ( -2.336 -5.049 0.121) 5.564 22.706 ( -2.516 -5.663 -2.724) 6.770 23.524 ( 1.230 -4.941 -0.114) 5.093 23.596 ( 0.264 -6.445 -5.694) 8.604 23.882 ( -0.725 -10.091 3.319) 10.647 24.153 ( 3.979 -8.792 24.516) 26.347 25.288 ( -7.881 4.181 -17.024) 19.220 25.715 ( -5.953 4.712 -18.351) 19.859 25.939 ( 12.291 -2.618 -6.721) 14.251 26.395 ( 1.641 -6.559 -3.283) 7.516 27.687 ( 3.809 -11.866 -9.678) 15.779 28.011 ( -9.555 5.611 -12.718) 16.868 29.017 ( -6.257 1.287 8.290) 10.466 29.535 ( -10.086 10.400 5.847) 15.623 29.887 ( 7.490 10.162 14.170) 18.978 30.310 ( 6.108 5.353 -7.105) 10.791 30.515 ( 5.273 3.320 14.545) 15.823 31.038 ( 0.306 0.194 12.335) 12.340 31.468 ( 0.456 1.104 12.485) 12.542 31.659 ( -2.464 9.895 10.304) 14.497 32.606 ( -1.709 4.585 24.518) 25.002 32.998 ( -4.272 4.008 17.204) 18.174 33.184 ( 5.251 18.106 3.999) 19.271 33.429 ( -4.077 18.342 -3.088) 19.041 34.576 ( 4.940 1.949 2.525) 5.881 35.325 ( 0.346 11.808 9.381) 15.085 35.686 ( 9.722 -18.296 -11.111) 23.510 37.020 ( -4.870 -30.959 -9.318) 32.695 ======================= Grid point 127 (48/126) ======================= q-point: ( 0.40 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 1.761 15.417 -4.223) 16.082 2.467 ( -1.973 11.802 1.173) 12.023 2.624 ( 1.378 1.564 10.815) 11.014 2.726 ( -0.895 3.314 7.520) 8.267 3.303 ( -0.507 -2.776 -7.995) 8.478 3.465 ( 0.912 -5.485 -2.692) 6.178 5.176 ( 12.991 19.481 10.132) 25.513 5.520 ( -16.865 14.028 7.534) 23.194 5.854 ( 12.502 16.901 26.637) 33.933 6.112 ( -11.727 9.526 14.111) 20.673 6.575 ( -3.696 15.190 23.985) 28.630 7.109 ( 8.025 14.182 7.822) 18.075 7.308 ( -11.648 11.082 12.663) 20.466 7.623 ( 2.088 5.908 12.440) 13.929 8.565 ( 13.620 11.896 15.270) 23.669 8.849 ( -2.257 41.096 18.468) 45.111 9.119 ( 6.084 22.402 9.345) 25.023 9.382 ( -8.949 12.759 4.291) 16.164 10.758 ( 10.711 17.768 -4.090) 21.146 11.012 ( -3.798 10.485 -0.609) 11.169 11.557 ( 2.194 -13.293 -1.210) 13.527 11.707 ( -12.698 -10.817 0.080) 16.681 12.392 ( 17.415 -1.004 -2.795) 17.667 12.766 ( -18.707 -0.988 -0.235) 18.735 13.437 ( 1.815 1.610 -2.088) 3.201 13.656 ( -4.384 -7.209 2.886) 8.917 14.352 ( 5.963 -10.802 -1.427) 12.421 14.441 ( 4.324 -13.257 1.034) 13.983 15.174 ( -5.142 -1.459 -3.951) 6.647 15.753 ( -6.953 1.895 2.045) 7.491 16.331 ( 13.097 0.553 -3.366) 13.534 16.608 ( -7.444 2.688 -6.332) 10.136 16.995 ( 5.123 -19.720 2.098) 20.483 17.399 ( 1.491 -15.482 -6.435) 16.832 18.140 ( -6.798 3.725 5.483) 9.495 18.558 ( -2.276 -2.903 3.347) 4.980 19.135 ( 7.704 -3.508 -15.651) 17.793 19.277 ( -4.911 -2.798 -17.899) 18.770 20.224 ( 7.757 -0.249 -13.633) 15.687 20.405 ( 12.046 -3.733 -6.598) 14.233 20.711 ( -14.244 -3.998 -8.610) 17.117 21.295 ( -1.606 -1.583 -7.299) 7.639 21.741 ( 0.886 -15.349 -16.181) 22.320 21.867 ( -2.849 -9.938 -6.997) 12.484 22.598 ( -1.492 -7.142 4.122) 8.380 22.688 ( -0.204 0.380 -11.076) 11.084 23.540 ( 0.991 -7.032 -2.191) 7.432 23.576 ( -2.060 -9.980 -5.296) 11.484 23.908 ( 2.154 -4.808 3.875) 6.540 24.193 ( 0.341 -11.992 26.561) 29.145 25.277 ( 6.622 4.139 -18.158) 19.765 25.486 ( -14.240 3.205 -16.669) 22.156 26.189 ( 9.996 1.026 -10.363) 14.435 26.406 ( -0.835 -6.855 -1.869) 7.154 27.758 ( 3.635 -5.353 -12.854) 14.391 27.850 ( -6.660 -0.282 -11.382) 13.191 28.889 ( -4.976 6.434 15.854) 17.819 29.401 ( -4.069 8.341 7.861) 12.163 30.030 ( 6.099 3.629 5.384) 8.908 30.335 ( -1.478 7.449 -9.628) 12.263 30.664 ( 7.443 3.067 21.867) 23.301 31.006 ( -3.240 -3.427 12.592) 13.446 31.507 ( 3.659 10.377 8.114) 13.671 31.599 ( -3.888 9.128 7.467) 12.418 32.583 ( -0.628 0.381 26.869) 26.879 32.930 ( -2.446 1.541 19.343) 19.558 33.271 ( 3.953 19.840 1.014) 20.255 33.356 ( -3.478 20.970 2.213) 21.371 34.655 ( 2.621 2.868 1.971) 4.356 35.318 ( -0.564 15.422 6.718) 16.831 35.877 ( 7.647 -29.204 -14.496) 33.488 36.923 ( -4.070 -29.021 -7.639) 30.285 ======================= Grid point 130 (49/126) ======================= q-point: ( 0.00 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 0.000 8.259 0.104) 8.260 2.631 ( 0.000 -2.307 7.724) 8.061 2.672 ( 0.000 2.450 1.790) 3.034 2.839 ( 0.000 10.547 -1.891) 10.716 3.211 ( 0.000 -5.264 -4.935) 7.215 3.426 ( 0.000 -0.826 -5.706) 5.765 5.482 ( 0.000 18.056 8.540) 19.974 5.663 ( 0.000 7.370 14.759) 16.497 6.178 ( 0.000 2.621 -1.743) 3.147 6.447 ( 0.000 10.492 11.331) 15.443 6.941 ( 0.000 4.068 20.240) 20.644 7.379 ( 0.000 18.428 34.676) 39.268 7.393 ( 0.000 -0.065 12.348) 12.348 7.971 ( 0.000 5.842 13.263) 14.492 8.520 ( 0.000 24.561 8.775) 26.081 9.091 ( 0.000 -0.628 14.682) 14.695 9.502 ( 0.000 31.291 9.718) 32.766 10.274 ( 0.000 28.210 8.636) 29.502 10.734 ( 0.000 10.357 -12.400) 16.156 10.915 ( 0.000 -10.313 4.614) 11.298 11.276 ( 0.000 -2.059 -10.997) 11.188 12.140 ( 0.000 7.193 2.201) 7.522 12.267 ( 0.000 0.245 6.630) 6.634 12.921 ( 0.000 -2.347 4.244) 4.850 13.347 ( 0.000 -21.477 7.084) 22.615 13.478 ( 0.000 -5.830 4.809) 7.557 14.178 ( 0.000 -14.593 23.387) 27.566 14.384 ( 0.000 23.403 -18.445) 29.798 15.348 ( 0.000 -18.943 -8.990) 20.968 15.452 ( 0.000 0.978 -5.786) 5.868 16.317 ( 0.000 5.233 -1.241) 5.378 16.442 ( 0.000 3.660 8.178) 8.960 16.942 ( 0.000 -6.532 -7.518) 9.959 17.273 ( 0.000 9.497 -11.485) 14.903 18.211 ( 0.000 -21.526 0.057) 21.526 18.387 ( 0.000 -16.486 -13.236) 21.142 18.941 ( 0.000 -0.393 1.241) 1.301 19.269 ( 0.000 9.977 -12.187) 15.750 19.972 ( 0.000 -15.203 -13.884) 20.589 20.206 ( 0.000 3.256 -16.521) 16.839 20.779 ( 0.000 -1.713 -8.918) 9.081 21.298 ( 0.000 -3.756 -9.199) 9.937 21.494 ( 0.000 -12.210 -7.963) 14.577 21.630 ( 0.000 -14.910 -8.109) 16.972 22.570 ( 0.000 -4.813 6.625) 8.189 22.627 ( 0.000 -1.974 -3.473) 3.995 23.449 ( 0.000 -2.379 -0.032) 2.379 23.513 ( 0.000 -2.867 -9.939) 10.345 23.752 ( 0.000 -3.648 -0.556) 3.691 23.996 ( 0.000 -2.791 26.332) 26.480 25.530 ( 0.000 1.629 -10.248) 10.376 25.739 ( 0.000 10.422 -20.519) 23.014 25.859 ( 0.000 -2.306 -11.063) 11.301 26.273 ( 0.000 -4.304 -6.224) 7.567 27.383 ( 0.000 -11.213 -12.272) 16.623 28.232 ( 0.000 4.153 -13.010) 13.656 29.028 ( 0.000 -1.398 0.730) 1.577 29.933 ( 0.000 6.486 13.411) 14.898 29.964 ( 0.000 9.146 4.258) 10.089 30.327 ( 0.000 4.937 -2.044) 5.344 30.500 ( 0.000 0.008 22.010) 22.010 31.038 ( 0.000 -1.001 9.103) 9.158 31.326 ( 0.000 -6.923 23.828) 24.813 31.893 ( 0.000 8.178 4.690) 9.427 32.779 ( 0.000 6.985 24.580) 25.553 33.069 ( 0.000 -0.674 22.806) 22.815 33.533 ( 0.000 19.792 -8.366) 21.488 33.857 ( 0.000 20.771 -5.928) 21.601 34.472 ( 0.000 -5.261 1.855) 5.578 35.360 ( 0.000 -14.991 -15.299) 21.419 35.472 ( 0.000 6.944 13.602) 15.272 36.523 ( 0.000 -19.706 -0.761) 19.720 ======================= Grid point 131 (50/126) ======================= q-point: ( 0.20 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 1.430 7.949 -0.071) 8.077 2.609 ( -1.922 -1.583 6.658) 7.108 2.691 ( 1.518 3.349 2.862) 4.659 2.834 ( -0.636 9.589 -0.563) 9.627 3.216 ( 0.738 -5.077 -5.663) 7.641 3.406 ( -2.079 -1.681 -5.402) 6.027 5.479 ( 0.614 16.931 8.560) 18.982 5.730 ( 5.772 5.435 13.757) 15.878 6.097 ( -7.168 4.697 2.966) 9.069 6.356 ( -7.911 7.178 10.768) 15.168 7.016 ( 3.589 11.699 27.206) 29.832 7.311 ( -2.428 5.805 13.659) 15.039 7.445 ( 4.652 13.889 26.947) 30.671 7.965 ( -3.421 10.157 9.050) 14.028 8.522 ( 2.513 13.083 10.075) 16.703 9.136 ( 2.655 -2.102 13.975) 14.379 9.595 ( 9.960 33.744 7.195) 35.911 10.229 ( -5.198 33.642 5.657) 34.508 10.785 ( 6.977 3.340 -6.233) 9.934 11.008 ( 7.103 -5.482 -0.275) 8.977 11.273 ( -0.035 -3.163 -7.750) 8.371 11.932 ( -18.048 2.797 3.248) 18.550 12.278 ( 0.634 4.448 4.599) 6.429 12.930 ( 1.508 -3.800 9.606) 10.440 13.248 ( -8.415 -13.583 4.428) 16.581 13.598 ( 2.100 -11.814 7.087) 13.936 14.056 ( -0.890 -14.115 11.972) 18.530 14.445 ( 2.685 21.961 -11.557) 24.961 15.289 ( -4.251 -1.582 -5.642) 7.239 15.605 ( 9.982 -15.424 -4.273) 18.863 16.251 ( -4.555 8.704 -2.025) 10.031 16.514 ( 9.527 -0.597 3.833) 10.286 16.923 ( -4.956 -5.207 -8.617) 11.221 17.213 ( -5.167 4.061 -8.632) 10.849 18.177 ( -1.959 -14.177 -1.412) 14.381 18.433 ( 2.062 -14.926 -9.346) 17.730 18.903 ( -0.759 -2.245 -2.990) 3.815 19.337 ( 2.789 7.345 -12.754) 14.980 19.924 ( -0.746 -15.694 -12.357) 19.989 20.292 ( 7.438 2.187 -15.268) 17.124 20.732 ( -5.524 -4.818 -10.905) 13.140 21.254 ( -6.720 -7.975 -7.019) 12.571 21.462 ( 2.753 -8.965 -9.240) 13.166 21.715 ( 4.651 -8.185 -4.830) 10.581 22.531 ( -2.550 -3.432 4.467) 6.184 22.650 ( 1.482 -2.263 -4.722) 5.442 23.439 ( -2.288 -3.233 -4.642) 6.102 23.484 ( -2.342 -4.438 -5.055) 7.123 23.768 ( 3.220 -2.390 3.327) 5.210 24.028 ( 1.901 -3.372 24.452) 24.757 25.381 ( -7.418 4.595 -16.280) 18.471 25.741 ( -10.684 -1.225 -12.740) 16.672 25.974 ( 15.809 5.013 -13.943) 21.667 26.302 ( 2.548 -3.578 -6.646) 7.967 27.463 ( 7.759 -9.367 -12.918) 17.743 28.099 ( -12.245 3.044 -12.729) 17.923 29.044 ( 0.449 1.284 4.797) 4.986 29.679 ( -14.496 3.886 3.699) 15.457 30.090 ( 3.983 9.624 14.982) 18.246 30.405 ( 5.375 3.266 -6.406) 8.977 30.556 ( 6.251 0.841 23.512) 24.343 30.997 ( -3.679 -3.097 13.494) 14.325 31.422 ( 9.065 -3.366 16.473) 19.101 31.859 ( -3.558 7.703 4.603) 9.653 32.736 ( -4.008 7.135 24.329) 25.668 33.020 ( -4.316 -0.308 22.869) 23.275 33.588 ( 4.944 19.465 -6.058) 20.976 33.837 ( -1.934 21.179 -4.703) 21.781 34.538 ( 6.046 -5.460 0.572) 8.166 35.321 ( -2.960 -18.039 -13.982) 23.015 35.542 ( 6.089 8.181 11.283) 15.209 36.485 ( -3.837 -19.747 -0.625) 20.126 ======================= Grid point 132 (51/126) ======================= q-point: ( 0.40 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 1.285 7.433 -0.723) 7.578 2.574 ( -1.399 -0.969 6.719) 6.931 2.716 ( 1.003 7.097 2.574) 7.615 2.817 ( -0.847 5.761 2.423) 6.307 3.241 ( 1.635 -2.942 -8.224) 8.886 3.359 ( -2.286 -4.374 -3.728) 6.185 5.518 ( 2.887 12.343 8.064) 15.023 5.788 ( -1.556 12.212 8.066) 14.718 6.007 ( 0.186 -1.652 6.407) 6.619 6.225 ( -5.284 4.731 20.894) 22.065 7.002 ( -2.013 21.704 35.165) 41.372 7.351 ( 3.184 13.895 3.250) 14.620 7.511 ( 1.462 9.762 21.202) 23.387 7.885 ( -2.683 13.783 11.191) 17.956 8.589 ( 2.786 0.249 8.784) 9.219 9.156 ( -0.027 -5.389 14.497) 15.466 9.828 ( 13.354 35.976 1.807) 38.417 10.086 ( -9.885 39.937 3.589) 41.299 10.970 ( 10.620 -3.474 -3.856) 11.820 11.085 ( -0.073 -2.713 -7.772) 8.232 11.297 ( 3.425 -0.933 2.404) 4.287 11.580 ( -16.682 3.852 5.450) 17.967 12.402 ( 13.711 1.429 3.044) 14.117 12.778 ( -18.258 3.135 4.306) 19.019 13.232 ( 7.617 -22.056 12.137) 26.302 13.453 ( -11.331 -16.412 14.118) 24.435 14.248 ( 14.205 -0.722 0.131) 14.224 14.434 ( -4.891 14.469 -7.145) 16.862 15.224 ( -2.088 5.491 -5.610) 8.123 15.652 ( -2.845 -15.016 1.493) 15.355 16.322 ( 10.335 2.615 -9.741) 14.441 16.680 ( -2.990 4.314 -2.677) 5.892 16.808 ( 4.475 -3.173 -3.092) 6.298 17.084 ( -9.020 -10.293 -6.546) 15.171 18.178 ( 1.713 -2.059 -0.419) 2.711 18.399 ( -3.937 -11.824 -4.816) 13.360 18.995 ( 9.401 -6.706 -11.465) 16.272 19.254 ( -9.859 -0.544 -12.276) 15.754 20.026 ( 8.141 -11.989 -12.864) 19.378 20.418 ( 4.290 -4.321 -8.664) 10.590 20.600 ( -6.282 -2.355 -14.356) 15.846 21.107 ( -6.267 -14.803 -12.578) 20.411 21.582 ( 7.464 -0.094 -2.219) 7.788 21.734 ( -2.618 -3.474 -0.676) 4.402 22.508 ( -0.064 -1.904 0.831) 2.078 22.668 ( 0.396 -2.266 -7.856) 8.186 23.380 ( -2.498 -5.911 -7.495) 9.867 23.444 ( -1.528 -4.706 -2.119) 5.382 23.869 ( 5.931 -0.518 7.501) 9.577 24.022 ( -2.504 -4.649 22.928) 23.528 25.349 ( 4.285 2.953 -17.046) 17.822 25.515 ( -12.156 0.147 -14.832) 19.178 26.226 ( 10.065 2.119 -12.080) 15.866 26.329 ( -0.831 -1.665 -7.735) 7.956 27.628 ( 9.223 -5.108 -13.136) 16.843 27.863 ( -11.662 -0.116 -13.333) 17.714 29.029 ( -1.259 6.969 11.056) 13.129 29.479 ( -6.067 -0.690 3.230) 6.907 30.145 ( 1.932 7.724 13.139) 15.363 30.457 ( 0.872 3.693 -3.209) 4.970 30.693 ( 6.265 0.261 22.010) 22.886 30.922 ( -3.749 -4.263 14.232) 15.323 31.609 ( 10.016 1.706 8.267) 13.098 31.765 ( -6.650 5.755 5.150) 10.191 32.666 ( -2.600 6.940 24.667) 25.757 32.950 ( -2.420 0.206 23.840) 23.964 33.676 ( 3.691 19.301 -3.817) 20.018 33.796 ( -2.158 21.690 -2.901) 21.989 34.640 ( 3.669 -4.624 -0.566) 5.930 35.275 ( -1.627 -23.113 -15.522) 27.889 35.649 ( 4.050 9.802 10.781) 15.123 36.411 ( -3.017 -20.131 -0.383) 20.360 ======================= Grid point 135 (52/126) ======================= q-point: ( 0.00 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 0.000 2.608 4.461) 5.167 2.581 ( 0.000 -1.809 5.015) 5.331 2.698 ( 0.000 0.464 0.890) 1.004 3.023 ( 0.000 5.741 -4.235) 7.134 3.137 ( 0.000 -1.882 -3.369) 3.859 3.394 ( 0.000 -1.564 -8.306) 8.452 5.704 ( 0.000 4.657 7.830) 9.110 5.723 ( 0.000 0.569 -2.014) 2.093 6.239 ( 0.000 1.659 3.734) 4.086 6.654 ( 0.000 6.643 12.804) 14.425 6.951 ( 0.000 -0.622 45.370) 45.374 7.432 ( 0.000 2.108 4.125) 4.632 7.703 ( 0.000 11.899 40.441) 42.155 8.071 ( 0.000 1.844 11.806) 11.950 8.966 ( 0.000 14.842 2.475) 15.047 9.002 ( 0.000 -3.775 10.526) 11.183 9.922 ( 0.000 8.541 -7.681) 11.487 10.184 ( 0.000 -13.643 2.003) 13.789 10.903 ( 0.000 7.926 -13.028) 15.250 11.115 ( 0.000 -11.138 -9.370) 14.555 11.431 ( 0.000 36.320 10.390) 37.777 12.160 ( 0.000 -14.672 14.755) 20.808 12.380 ( 0.000 13.678 3.907) 14.225 12.908 ( 0.000 -2.892 4.754) 5.565 12.984 ( 0.000 -9.949 9.460) 13.728 13.407 ( 0.000 0.866 22.235) 22.252 13.841 ( 0.000 -14.381 21.460) 25.833 14.623 ( 0.000 -0.660 -20.769) 20.780 15.266 ( 0.000 9.000 -12.086) 15.069 15.500 ( 0.000 2.175 -6.269) 6.636 16.189 ( 0.000 -11.506 -6.331) 13.133 16.517 ( 0.000 2.560 9.193) 9.543 17.127 ( 0.000 20.219 -5.361) 20.918 17.546 ( 0.000 17.098 -14.335) 22.312 17.701 ( 0.000 -25.719 -2.727) 25.863 17.964 ( 0.000 -22.165 -15.314) 26.941 18.984 ( 0.000 2.549 2.583) 3.629 19.501 ( 0.000 10.119 -13.679) 17.015 19.716 ( 0.000 -7.876 -11.220) 13.708 20.070 ( 0.000 -10.073 -16.952) 19.719 20.901 ( 0.000 8.794 -3.575) 9.493 21.262 ( 0.000 0.613 -11.160) 11.176 21.268 ( 0.000 -9.029 -5.907) 10.790 21.380 ( 0.000 -8.297 -4.415) 9.399 22.519 ( 0.000 -0.910 5.249) 5.327 22.593 ( 0.000 -0.991 -3.119) 3.273 23.409 ( 0.000 -1.173 -1.429) 1.849 23.469 ( 0.000 -1.261 -11.637) 11.705 23.718 ( 0.000 -0.382 -0.072) 0.389 23.972 ( 0.000 -0.205 25.451) 25.451 25.571 ( 0.000 1.653 -16.560) 16.643 25.816 ( 0.000 -1.500 -5.946) 6.132 25.939 ( 0.000 8.041 -18.157) 19.858 26.173 ( 0.000 -5.160 -7.772) 9.329 27.216 ( 0.000 -4.415 -14.599) 15.252 28.289 ( 0.000 1.410 -13.303) 13.377 29.009 ( 0.000 -0.443 0.513) 0.678 30.015 ( 0.000 1.863 14.063) 14.186 30.106 ( 0.000 4.032 -9.352) 10.184 30.400 ( 0.000 1.946 -2.045) 2.822 30.486 ( 0.000 -0.883 39.632) 39.642 31.016 ( 0.000 -0.697 6.679) 6.716 31.221 ( 0.000 -2.869 24.142) 24.312 32.002 ( 0.000 2.565 3.563) 4.390 32.883 ( 0.000 2.771 25.477) 25.628 33.056 ( 0.000 -0.387 23.936) 23.939 33.872 ( 0.000 11.608 -16.255) 19.975 34.283 ( 0.000 18.204 -14.544) 23.300 34.335 ( 0.000 -6.587 7.892) 10.280 34.992 ( 0.000 -17.545 -6.649) 18.762 35.573 ( 0.000 2.624 13.064) 13.325 36.281 ( 0.000 -5.004 0.258) 5.011 ======================= Grid point 136 (53/126) ======================= q-point: ( 0.20 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 0.863 2.406 4.342) 5.038 2.568 ( -1.285 -1.586 5.151) 5.541 2.727 ( 3.154 0.763 1.139) 3.439 3.020 ( -2.006 7.226 -3.166) 8.140 3.127 ( 0.839 -3.859 -4.173) 5.745 3.370 ( -2.684 -1.380 -8.075) 8.621 5.638 ( -1.416 1.429 8.569) 8.802 5.845 ( 7.952 4.592 1.103) 9.249 6.135 ( -10.001 -0.055 3.899) 10.734 6.502 ( -12.883 4.595 18.620) 23.104 7.116 ( 14.158 1.409 39.195) 41.697 7.442 ( 2.456 4.859 11.592) 12.807 7.789 ( 6.141 15.286 27.298) 31.884 8.062 ( -1.270 -1.196 12.137) 12.262 8.808 ( -10.938 12.252 5.486) 17.316 9.023 ( -1.506 -6.984 9.824) 12.147 10.042 ( 11.858 10.722 -8.960) 18.326 10.291 ( 9.667 -11.936 -0.280) 15.362 10.894 ( -0.961 7.347 -11.350) 13.555 11.064 ( -4.634 -7.355 -7.994) 11.810 11.524 ( 8.672 31.763 7.672) 33.808 12.088 ( -8.117 6.343 11.900) 15.739 12.378 ( -1.422 3.946 5.455) 6.881 12.594 ( -8.456 -20.966 12.001) 25.595 13.167 ( -4.400 -4.479 16.822) 17.955 13.401 ( -16.011 1.167 11.619) 19.817 13.782 ( 18.492 -11.519 13.411) 25.583 14.782 ( 8.477 4.817 -11.344) 14.958 15.244 ( -1.448 4.308 -9.546) 10.573 15.471 ( -3.337 -2.466 -6.328) 7.567 16.270 ( 7.500 -5.976 -7.488) 12.167 16.500 ( 0.853 1.302 4.655) 4.909 17.032 ( -8.880 13.524 -7.058) 17.651 17.337 ( -14.951 1.938 -8.778) 17.445 17.873 ( 10.712 -8.167 -6.838) 15.106 18.065 ( 8.539 -17.641 -11.591) 22.769 18.928 ( -3.654 2.442 -1.686) 4.707 19.495 ( -10.794 3.658 -11.532) 16.213 19.691 ( 8.200 -2.790 -10.603) 13.691 20.130 ( 4.137 -11.292 -12.720) 17.506 20.793 ( -8.306 6.570 -11.858) 15.898 21.047 ( -12.913 -8.991 -10.843) 19.109 21.412 ( 11.385 1.161 -4.541) 12.312 21.579 ( 11.228 -4.716 -0.763) 12.202 22.500 ( -1.178 -0.233 3.453) 3.656 22.608 ( 0.992 -1.494 -3.859) 4.256 23.398 ( -3.793 -0.648 -6.563) 7.608 23.415 ( -2.911 -2.231 -5.130) 6.306 23.748 ( 3.933 -0.196 3.077) 4.997 23.996 ( 1.367 -0.406 23.557) 23.600 25.459 ( -7.410 2.452 -18.507) 20.086 25.709 ( -10.207 -1.305 -7.998) 13.033 26.092 ( 11.710 5.566 -15.613) 20.294 26.223 ( 4.765 -4.180 -8.998) 11.006 27.326 ( 10.702 -3.582 -14.182) 18.124 28.139 ( -14.036 0.924 -13.070) 19.201 29.065 ( 4.720 0.603 2.854) 5.549 29.718 ( -18.797 0.579 3.563) 19.140 30.270 ( 5.346 7.394 9.607) 13.249 30.411 ( 2.530 -2.775 6.236) 7.279 30.567 ( 7.106 0.522 23.838) 24.880 30.944 ( -5.297 -1.562 12.027) 13.234 31.368 ( 12.775 -1.488 14.760) 19.578 31.960 ( -4.505 2.340 3.311) 6.061 32.860 ( -2.312 4.030 25.107) 25.533 33.002 ( -4.810 -1.142 24.116) 24.617 33.935 ( 5.830 12.746 -13.783) 19.658 34.248 ( -2.570 13.907 -11.055) 17.950 34.400 ( 5.419 -3.485 4.159) 7.669 34.926 ( -6.137 -18.107 -4.816) 19.716 35.660 ( 8.319 3.002 10.161) 13.471 36.233 ( -5.062 -5.509 0.799) 7.524 ======================= Grid point 137 (54/126) ======================= q-point: ( 0.40 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 1.119 2.291 3.883) 4.645 2.540 ( -1.365 -1.589 5.819) 6.184 2.810 ( 5.632 2.193 0.892) 6.109 2.931 ( -6.319 3.793 -0.588) 7.393 3.192 ( 5.104 -1.527 -6.501) 8.405 3.297 ( -4.899 -1.576 -6.961) 8.657 5.675 ( 4.944 3.700 10.120) 11.855 5.906 ( -9.317 -1.932 8.532) 12.780 6.019 ( 6.876 5.086 4.931) 9.872 6.269 ( -10.717 -0.041 17.768) 20.750 7.357 ( 8.497 12.531 28.465) 32.241 7.550 ( 8.774 1.124 20.751) 22.557 7.804 ( -4.793 17.306 14.441) 23.043 8.024 ( -2.771 -1.607 14.468) 14.818 8.683 ( -1.195 8.675 7.493) 11.525 8.961 ( -3.876 -11.835 11.311) 16.823 10.259 ( 8.502 10.154 -11.280) 17.396 10.452 ( 5.319 -5.877 -4.441) 9.086 10.880 ( 0.346 2.882 -8.558) 9.037 10.970 ( -4.785 -4.189 -6.640) 9.194 11.696 ( 8.504 29.328 3.939) 30.789 11.926 ( -7.688 25.804 10.527) 28.910 12.344 ( 0.872 -9.748 6.318) 11.649 12.601 ( 2.052 -29.115 11.961) 31.543 12.943 ( -12.573 3.762 19.060) 23.141 13.100 ( -9.438 -12.949 19.169) 24.984 14.283 ( 27.359 2.671 3.835) 27.756 14.734 ( -13.881 7.844 -1.902) 16.057 15.267 ( 4.196 -2.758 -6.557) 8.259 15.372 ( -6.557 -4.740 -5.380) 9.717 16.425 ( 8.426 4.408 -11.363) 14.817 16.591 ( 4.830 -7.909 -7.525) 11.937 16.883 ( -2.898 8.916 -4.362) 10.340 17.053 ( -14.783 0.580 -4.253) 15.394 18.053 ( 8.637 -5.659 -6.124) 12.005 18.156 ( -0.820 -9.906 -6.405) 11.825 18.948 ( 7.006 1.478 -8.974) 11.480 19.217 ( -15.326 -3.121 -10.646) 18.920 19.904 ( 10.135 1.727 -6.878) 12.370 20.163 ( -1.106 -13.987 -4.374) 14.696 20.678 ( -2.971 6.164 -20.800) 21.897 20.850 ( -7.135 -9.353 -18.632) 22.035 21.611 ( 8.922 1.457 2.369) 9.345 21.697 ( 0.658 -0.808 2.820) 3.006 22.508 ( 1.998 1.398 -1.168) 2.703 22.607 ( -1.279 -3.032 -5.133) 6.097 23.320 ( -2.361 -0.456 -6.909) 7.316 23.364 ( -2.645 -2.879 -3.986) 5.584 23.862 ( 7.434 -0.147 10.603) 12.950 23.978 ( -3.838 -0.544 19.273) 19.659 25.395 ( 1.423 1.344 -17.662) 17.770 25.508 ( -9.846 -0.423 -12.862) 16.203 26.269 ( 6.245 2.001 -12.477) 14.096 26.304 ( 2.419 -1.321 -11.857) 12.173 27.563 ( 14.106 -1.426 -13.619) 19.659 27.851 ( -15.816 -0.592 -13.238) 20.633 29.158 ( 5.254 4.816 6.799) 9.851 29.416 ( -12.118 -3.648 4.425) 13.407 30.318 ( 1.108 8.380 15.560) 17.708 30.455 ( 1.252 -4.074 9.912) 10.789 30.704 ( 6.727 1.024 14.941) 16.418 30.847 ( -5.110 -2.537 12.416) 13.665 31.622 ( 13.548 0.103 7.005) 15.252 31.835 ( -9.198 1.475 3.649) 10.005 32.816 ( -1.754 6.551 24.758) 25.670 32.925 ( -2.554 -2.800 25.138) 25.422 34.042 ( 4.488 15.281 -9.118) 18.352 34.197 ( -2.530 13.247 -12.838) 18.620 34.503 ( 4.573 -4.125 5.060) 7.971 34.811 ( -4.918 -20.628 -4.204) 21.619 35.829 ( 8.160 6.470 6.278) 12.160 36.114 ( -6.580 -8.828 2.320) 11.252 ======================= Grid point 165 (55/126) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.000 0.000 7.015) 7.015 1.865 ( 0.000 0.000 -0.016) 0.016 2.413 ( 0.000 0.000 19.402) 19.402 3.031 ( 0.000 0.000 18.859) 18.859 3.462 ( 0.000 0.000 -14.533) 14.533 3.476 ( 0.000 0.000 17.035) 17.035 4.246 ( 0.000 0.000 44.212) 44.212 4.549 ( 0.000 0.000 20.446) 20.446 5.911 ( 0.000 0.000 34.176) 34.176 6.516 ( 0.000 0.000 13.717) 13.717 6.581 ( 0.000 0.000 -12.768) 12.768 6.663 ( 0.000 0.000 -6.590) 6.590 7.384 ( 0.000 0.000 41.857) 41.857 7.619 ( 0.000 0.000 -2.117) 2.117 7.756 ( 0.000 0.000 5.952) 5.952 7.759 ( 0.000 0.000 32.830) 32.830 8.160 ( 0.000 0.000 -15.267) 15.267 9.614 ( 0.000 0.000 12.954) 12.954 10.510 ( 0.000 0.000 22.515) 22.515 10.585 ( 0.000 0.000 17.240) 17.240 11.007 ( 0.000 0.000 -17.802) 17.802 12.065 ( 0.000 0.000 -6.565) 6.565 12.731 ( 0.000 0.000 5.933) 5.933 12.796 ( 0.000 0.000 3.756) 3.756 13.745 ( 0.000 0.000 -4.743) 4.743 13.817 ( 0.000 0.000 -10.464) 10.464 14.115 ( 0.000 0.000 -4.425) 4.425 14.450 ( 0.000 0.000 -3.381) 3.381 15.539 ( 0.000 0.000 -8.883) 8.883 16.213 ( 0.000 0.000 -12.670) 12.670 16.394 ( 0.000 0.000 23.132) 23.132 17.080 ( 0.000 0.000 -28.871) 28.871 17.736 ( 0.000 0.000 -16.013) 16.013 17.964 ( 0.000 0.000 -1.648) 1.648 18.108 ( 0.000 0.000 8.333) 8.333 18.439 ( 0.000 0.000 9.831) 9.831 18.507 ( 0.000 0.000 1.407) 1.407 19.140 ( 0.000 0.000 -9.164) 9.164 19.674 ( 0.000 0.000 8.843) 8.843 20.513 ( 0.000 0.000 -8.086) 8.086 20.572 ( 0.000 0.000 -19.035) 19.035 20.853 ( 0.000 0.000 -9.252) 9.252 21.935 ( 0.000 0.000 -27.366) 27.366 22.101 ( 0.000 0.000 -32.813) 32.813 22.336 ( 0.000 0.000 -7.882) 7.882 22.921 ( 0.000 0.000 -10.457) 10.457 23.763 ( 0.000 0.000 -21.658) 21.658 23.903 ( 0.000 0.000 -25.339) 25.339 24.109 ( 0.000 0.000 13.096) 13.096 24.975 ( 0.000 0.000 -4.735) 4.735 24.984 ( 0.000 0.000 -7.147) 7.147 25.001 ( 0.000 0.000 -10.676) 10.676 26.810 ( 0.000 0.000 10.743) 10.743 27.301 ( 0.000 0.000 -2.175) 2.175 27.575 ( 0.000 0.000 13.907) 13.907 28.224 ( 0.000 0.000 11.437) 11.437 29.039 ( 0.000 0.000 5.951) 5.951 29.412 ( 0.000 0.000 24.605) 24.605 29.921 ( 0.000 0.000 15.180) 15.180 29.987 ( 0.000 0.000 -9.129) 9.129 30.094 ( 0.000 0.000 4.069) 4.069 30.466 ( 0.000 0.000 -0.447) 0.447 30.709 ( 0.000 0.000 0.875) 0.875 31.548 ( 0.000 0.000 -4.056) 4.056 32.471 ( 0.000 0.000 16.696) 16.696 32.968 ( 0.000 0.000 13.404) 13.404 33.293 ( 0.000 0.000 25.070) 25.070 33.520 ( 0.000 0.000 29.619) 29.619 34.548 ( 0.000 0.000 20.333) 20.333 35.153 ( 0.000 0.000 0.977) 0.977 36.337 ( 0.000 0.000 -7.788) 7.788 37.602 ( 0.000 0.000 -39.548) 39.548 ======================= Grid point 166 (56/126) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 1.141 0.000 5.977) 6.085 1.830 ( -3.204 0.000 1.827) 3.688 2.452 ( 4.427 0.000 16.068) 16.666 2.962 ( -7.303 0.000 13.004) 14.914 3.491 ( 2.946 0.000 -8.722) 9.206 3.509 ( 2.936 0.000 13.403) 13.721 4.363 ( 12.579 0.000 43.439) 45.223 4.696 ( 14.992 0.000 17.331) 22.915 5.700 ( -20.209 0.000 34.447) 39.938 6.163 ( -27.624 0.000 -5.161) 28.102 6.576 ( 5.983 0.000 15.947) 17.032 6.906 ( 9.331 0.000 -6.532) 11.390 7.272 ( -6.342 0.000 24.428) 25.237 7.426 ( -16.912 0.000 19.888) 26.107 7.835 ( 16.388 0.000 13.869) 21.469 8.054 ( 12.862 0.000 17.540) 21.750 8.334 ( 17.770 0.000 -14.295) 22.807 9.666 ( 0.826 0.000 8.684) 8.723 10.155 ( -21.894 0.000 13.696) 25.825 10.536 ( -5.461 0.000 17.800) 18.619 11.293 ( 19.074 0.000 -4.613) 19.624 12.001 ( -7.056 0.000 -6.580) 9.649 12.591 ( -11.319 0.000 4.453) 12.163 12.628 ( -13.305 0.000 1.881) 13.437 13.976 ( 19.397 0.000 -6.356) 20.412 14.010 ( 17.149 0.000 -9.024) 19.378 14.142 ( 3.051 0.000 -4.653) 5.564 14.430 ( -1.509 0.000 -3.047) 3.400 15.433 ( -9.956 0.000 -9.246) 13.587 15.947 ( -23.611 0.000 -14.663) 27.794 16.520 ( 12.758 0.000 20.940) 24.521 17.199 ( 7.191 0.000 -22.869) 23.973 17.756 ( 1.071 0.000 -14.510) 14.550 17.810 ( -12.233 0.000 6.242) 13.734 18.142 ( 4.455 0.000 4.604) 6.406 18.479 ( 0.950 0.000 0.086) 0.954 18.606 ( 10.304 0.000 4.248) 11.145 19.175 ( 3.049 0.000 -6.139) 6.855 19.654 ( -1.465 0.000 6.032) 6.207 20.374 ( -16.858 0.000 -17.535) 24.324 20.565 ( 5.916 0.000 -8.962) 10.738 20.917 ( 2.465 0.000 -10.843) 11.120 21.933 ( -0.076 0.000 -26.713) 26.713 22.032 ( -5.018 0.000 -28.168) 28.612 22.441 ( 9.072 0.000 -10.483) 13.863 22.883 ( -3.935 0.000 -9.456) 10.242 23.810 ( 4.388 0.000 -22.474) 22.899 23.889 ( -0.788 0.000 -24.283) 24.296 24.160 ( 4.764 0.000 11.042) 12.026 24.729 ( -16.474 0.000 -6.133) 17.578 24.973 ( -0.879 0.000 -6.647) 6.705 25.088 ( 0.095 0.000 -2.549) 2.550 26.681 ( -6.873 0.000 8.264) 10.748 27.173 ( -12.387 0.000 -2.043) 12.554 27.763 ( 15.437 0.000 15.247) 21.697 28.268 ( 2.709 0.000 13.680) 13.946 29.048 ( 0.633 0.000 5.375) 5.413 29.260 ( -11.870 0.000 16.605) 20.411 29.977 ( 4.689 0.000 10.390) 11.399 30.103 ( 7.233 0.000 -2.910) 7.796 30.131 ( 4.446 0.000 4.592) 6.391 30.428 ( -3.393 0.000 -1.773) 3.828 30.749 ( 5.183 0.000 2.130) 5.604 31.451 ( -9.985 0.000 -3.288) 10.512 32.527 ( 5.687 0.000 16.727) 17.667 32.915 ( -5.060 0.000 14.927) 15.762 33.322 ( 2.601 0.000 25.253) 25.386 33.493 ( -2.643 0.000 28.919) 29.040 34.613 ( 6.626 0.000 20.152) 21.214 35.093 ( -6.065 0.000 7.170) 9.391 36.547 ( 20.107 0.000 -18.714) 27.468 37.532 ( -7.687 0.000 -39.392) 40.135 ======================= Grid point 167 (57/126) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 1.330 0.000 4.532) 4.723 1.774 ( -2.418 0.000 3.726) 4.442 2.582 ( 9.546 0.000 10.521) 14.206 2.782 ( -11.352 0.000 8.300) 14.063 3.545 ( 2.152 0.000 -1.461) 2.601 3.554 ( 1.304 0.000 5.638) 5.787 4.692 ( 22.097 0.000 39.662) 45.402 4.992 ( 6.184 0.000 17.280) 18.354 5.326 ( -8.635 0.000 30.961) 32.143 5.644 ( -27.375 0.000 4.626) 27.763 6.732 ( 10.866 0.000 16.627) 19.863 6.933 ( -7.663 0.000 7.824) 10.951 7.199 ( -1.923 0.000 14.430) 14.557 7.206 ( -4.585 0.000 13.451) 14.211 8.101 ( 10.718 0.000 18.108) 21.042 8.191 ( 1.357 0.000 17.222) 17.275 8.769 ( 28.381 0.000 -9.348) 29.881 9.332 ( -30.755 0.000 -1.996) 30.820 10.134 ( 12.964 0.000 16.939) 21.330 10.379 ( -11.576 0.000 17.809) 21.241 11.588 ( 13.288 0.000 0.604) 13.302 11.816 ( -11.955 0.000 -2.612) 12.237 12.433 ( -4.551 0.000 0.311) 4.561 12.440 ( -5.584 0.000 -1.317) 5.737 14.190 ( 3.714 0.000 -1.735) 4.099 14.223 ( 2.832 0.000 -4.048) 4.941 14.353 ( 15.153 0.000 -11.160) 18.819 14.458 ( 4.083 0.000 -8.328) 9.275 15.281 ( -1.724 0.000 -10.652) 10.790 15.495 ( -22.247 0.000 -13.976) 26.273 16.822 ( 18.889 0.000 14.544) 23.840 17.150 ( -13.714 0.000 -1.068) 13.756 17.690 ( 0.774 0.000 -1.120) 1.362 17.741 ( -2.693 0.000 -9.365) 9.744 18.273 ( 8.750 0.000 -3.445) 9.404 18.422 ( -6.526 0.000 -6.028) 8.884 18.859 ( 16.062 0.000 8.443) 18.146 19.130 ( -10.572 0.000 5.789) 12.053 19.729 ( 11.964 0.000 -8.263) 14.540 20.034 ( -18.925 0.000 -15.701) 24.591 20.721 ( 9.995 0.000 -10.549) 14.532 20.882 ( -6.194 0.000 -11.340) 12.921 21.936 ( 0.509 0.000 -25.590) 25.595 21.961 ( -2.462 0.000 -25.659) 25.776 22.621 ( 9.720 0.000 -9.050) 13.281 22.780 ( -7.256 0.000 -8.114) 10.885 23.883 ( 2.432 0.000 -25.100) 25.218 23.891 ( 0.746 0.000 -25.851) 25.861 24.264 ( 6.705 0.000 9.327) 11.487 24.440 ( -13.227 0.000 2.772) 13.515 24.972 ( 1.311 0.000 -4.404) 4.595 25.030 ( -4.523 0.000 -0.922) 4.616 26.691 ( 7.712 0.000 2.025) 7.974 26.911 ( -14.551 0.000 -1.168) 14.597 28.044 ( 14.043 0.000 18.314) 23.078 28.244 ( -6.486 0.000 18.259) 19.377 29.056 ( 0.437 0.000 5.170) 5.188 29.094 ( -4.988 0.000 8.184) 9.584 30.059 ( 4.427 0.000 4.066) 6.011 30.136 ( -2.960 0.000 1.249) 3.212 30.248 ( 7.123 0.000 3.547) 7.957 30.359 ( -4.555 0.000 -0.110) 4.556 30.930 ( 13.986 0.000 0.931) 14.017 31.211 ( -15.164 0.000 -1.448) 15.233 32.658 ( 7.938 0.000 16.813) 18.592 32.800 ( -7.201 0.000 16.451) 17.958 33.375 ( 3.059 0.000 26.256) 26.433 33.435 ( -3.370 0.000 27.548) 27.754 34.770 ( 9.715 0.000 18.775) 21.139 34.948 ( -9.213 0.000 14.821) 17.451 36.961 ( 22.378 0.000 -32.338) 39.326 37.317 ( -15.694 0.000 -38.033) 41.144 ======================= Grid point 170 (58/126) ======================= q-point: ( 0.00 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 0.000 -1.636 8.073) 8.237 2.048 ( 0.000 12.309 -0.450) 12.317 2.466 ( 0.000 4.735 16.027) 16.712 3.049 ( 0.000 0.187 14.487) 14.488 3.412 ( 0.000 -4.441 -13.256) 13.980 3.470 ( 0.000 -0.500 13.551) 13.560 4.581 ( 0.000 29.222 37.897) 47.855 4.638 ( 0.000 8.501 20.183) 21.900 5.968 ( 0.000 6.300 17.047) 18.174 6.463 ( 0.000 -7.403 3.036) 8.001 6.663 ( 0.000 3.053 6.841) 7.492 6.889 ( 0.000 25.765 -0.830) 25.778 7.313 ( 0.000 -3.759 21.291) 21.620 7.417 ( 0.000 -4.932 18.532) 19.177 7.747 ( 0.000 6.680 20.321) 21.390 8.099 ( 0.000 20.354 20.199) 28.675 8.601 ( 0.000 31.423 -9.223) 32.748 9.661 ( 0.000 4.141 12.013) 12.706 10.192 ( 0.000 -16.703 25.507) 30.490 10.844 ( 0.000 11.543 13.107) 17.465 11.076 ( 0.000 6.654 -15.742) 17.090 12.000 ( 0.000 -4.158 -6.224) 7.485 12.718 ( 0.000 -1.750 6.389) 6.625 12.879 ( 0.000 5.921 -1.495) 6.107 13.497 ( 0.000 -17.273 -7.893) 18.991 13.812 ( 0.000 -1.706 -7.263) 7.461 14.237 ( 0.000 5.566 -1.543) 5.776 14.462 ( 0.000 2.433 -0.263) 2.447 15.508 ( 0.000 -2.682 -8.306) 8.728 16.256 ( 0.000 -10.469 15.705) 18.875 16.258 ( 0.000 3.873 -11.811) 12.430 17.045 ( 0.000 -10.995 -17.774) 20.900 17.415 ( 0.000 -16.036 -6.401) 17.267 17.825 ( 0.000 -20.042 11.851) 23.284 18.027 ( 0.000 4.430 -18.700) 19.218 18.542 ( 0.000 3.620 3.595) 5.102 18.844 ( 0.000 24.635 3.207) 24.843 19.105 ( 0.000 -2.962 -8.768) 9.254 19.591 ( 0.000 -8.021 6.887) 10.572 20.361 ( 0.000 -7.989 -16.383) 18.227 20.819 ( 0.000 15.399 -12.487) 19.826 20.839 ( 0.000 -1.943 -11.377) 11.541 21.855 ( 0.000 -6.993 -23.077) 24.113 22.029 ( 0.000 -6.917 -28.321) 29.153 22.375 ( 0.000 3.542 -9.235) 9.891 22.897 ( 0.000 -2.160 -10.745) 10.960 23.697 ( 0.000 -4.633 -12.787) 13.600 23.738 ( 0.000 -12.564 -19.983) 23.604 24.241 ( 0.000 10.417 6.165) 12.105 24.735 ( 0.000 -16.502 -6.121) 17.600 25.012 ( 0.000 0.979 -9.745) 9.794 25.150 ( 0.000 7.349 -7.485) 10.490 26.614 ( 0.000 -16.375 14.852) 22.107 27.217 ( 0.000 -27.107 12.736) 29.950 27.407 ( 0.000 8.520 -9.085) 12.455 28.177 ( 0.000 -8.456 5.482) 10.078 29.142 ( 0.000 5.629 5.064) 7.572 29.479 ( 0.000 6.828 20.401) 21.514 29.672 ( 0.000 -6.870 3.953) 7.926 30.070 ( 0.000 2.247 7.612) 7.937 30.254 ( 0.000 12.529 3.090) 12.904 30.709 ( 0.000 20.231 6.233) 21.169 30.988 ( 0.000 18.734 -1.749) 18.815 31.663 ( 0.000 11.415 -1.844) 11.563 32.539 ( 0.000 6.455 13.698) 15.142 32.937 ( 0.000 -2.209 14.200) 14.371 33.240 ( 0.000 -3.955 20.565) 20.942 33.558 ( 0.000 2.840 31.265) 31.394 34.589 ( 0.000 3.253 17.246) 17.550 35.199 ( 0.000 4.549 3.067) 5.487 36.128 ( 0.000 -17.809 -7.106) 19.174 37.524 ( 0.000 -8.529 -35.579) 36.587 ======================= Grid point 171 (59/126) ======================= q-point: ( 0.20 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 1.742 -0.817 7.013) 7.272 2.023 ( -2.426 12.318 0.620) 12.570 2.502 ( 4.205 4.618 13.482) 14.859 2.979 ( -7.148 0.687 10.527) 12.743 3.427 ( 1.742 -5.005 -3.343) 6.266 3.510 ( 3.247 -0.864 5.356) 6.323 4.605 ( 7.058 17.057 31.341) 36.373 4.855 ( 18.306 18.540 23.312) 34.961 5.765 ( -19.594 5.711 17.477) 26.870 6.256 ( -23.067 6.157 5.322) 24.460 6.587 ( 1.957 2.056 14.023) 14.307 7.019 ( 4.503 11.867 3.065) 13.057 7.249 ( -6.412 -3.576 14.917) 16.626 7.425 ( 4.690 7.238 18.038) 19.994 7.942 ( 13.794 7.944 18.993) 24.781 8.112 ( 3.341 11.836 21.269) 24.569 8.712 ( 10.647 27.477 -8.148) 30.573 9.636 ( -6.966 -3.785 9.580) 12.435 10.106 ( -3.241 -1.762 19.971) 20.309 10.661 ( -10.966 10.638 9.882) 18.195 11.322 ( 15.923 2.667 -5.521) 17.063 11.993 ( -0.906 -0.964 -6.222) 6.361 12.434 ( -19.176 -4.968 0.617) 19.819 12.855 ( -8.180 11.001 4.059) 14.297 13.639 ( 12.909 -20.156 -7.460) 25.071 13.901 ( 6.911 -10.068 -7.102) 14.126 14.339 ( 9.489 7.863 -4.710) 13.193 14.492 ( 4.573 5.164 0.398) 6.909 15.409 ( -9.202 -2.224 -8.445) 12.686 15.952 ( -23.156 -0.381 -12.545) 26.339 16.409 ( 10.739 -7.457 14.519) 19.538 17.201 ( 11.311 -14.529 -10.882) 21.388 17.331 ( -8.312 -10.512 -4.742) 14.215 17.834 ( 3.036 -12.480 -1.564) 12.939 18.125 ( 8.023 -1.208 -9.313) 12.352 18.456 ( -7.408 4.485 3.299) 9.266 18.841 ( -0.214 11.490 0.120) 11.493 19.222 ( 8.122 5.943 -5.511) 11.474 19.560 ( -0.088 -7.817 2.046) 8.081 20.438 ( 5.390 -2.261 -14.669) 15.790 20.563 ( -14.638 5.963 -10.218) 18.821 20.957 ( 2.264 3.433 -13.088) 13.719 21.824 ( -2.565 -7.782 -23.542) 24.927 22.047 ( 1.218 -2.610 -27.515) 27.665 22.411 ( 3.890 -1.115 -7.354) 8.394 22.865 ( -3.296 -1.640 -8.834) 9.571 23.688 ( -0.098 -9.429 -18.593) 20.848 23.781 ( 3.055 -8.262 -14.706) 17.142 24.264 ( 2.363 8.591 3.124) 9.441 24.656 ( -8.567 -12.489 -7.240) 16.786 24.933 ( -2.554 3.333 -6.044) 7.359 25.204 ( 0.601 6.236 -3.222) 7.045 26.516 ( -6.597 -14.257 11.509) 19.474 27.072 ( -10.768 -13.142 0.696) 17.004 27.578 ( 12.581 -8.002 5.296) 15.823 28.197 ( 0.976 -9.768 6.296) 11.662 29.138 ( -1.498 6.240 5.030) 8.154 29.284 ( -11.303 2.154 15.008) 18.911 29.818 ( 7.258 -3.094 7.245) 10.711 30.118 ( 4.465 2.097 3.607) 6.111 30.302 ( 5.321 12.792 5.093) 14.761 30.758 ( 3.889 23.017 3.216) 23.564 30.959 ( -1.430 16.027 1.282) 16.142 31.557 ( -10.435 10.513 -0.508) 14.821 32.585 ( 4.258 5.578 12.460) 14.300 32.924 ( -1.307 1.239 14.511) 14.623 33.265 ( 2.624 -4.232 22.298) 22.848 33.525 ( -3.264 2.271 30.942) 31.196 34.644 ( 5.531 2.459 16.964) 18.012 35.143 ( -5.323 5.004 8.086) 10.898 36.313 ( 17.436 -19.799 -16.677) 31.211 37.464 ( -6.296 -7.856 -35.205) 36.616 ======================= Grid point 172 (60/126) ======================= q-point: ( 0.40 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 1.189 0.743 5.327) 5.509 1.980 ( -1.574 11.941 1.959) 12.203 2.625 ( 8.869 3.866 9.057) 13.253 2.810 ( -10.446 2.253 7.374) 12.984 3.461 ( 1.341 -6.062 2.271) 6.611 3.558 ( 1.490 -1.347 -0.166) 2.016 4.835 ( 15.813 11.583 25.015) 31.780 5.232 ( 14.307 18.351 23.811) 33.293 5.377 ( -12.114 7.370 18.772) 23.526 5.783 ( -25.774 14.220 14.396) 32.768 6.675 ( 5.655 -3.602 12.968) 14.599 6.969 ( -6.671 4.338 14.976) 16.959 7.199 ( 0.237 7.745 12.387) 14.611 7.505 ( 2.456 17.717 8.669) 19.876 8.136 ( 7.574 5.348 21.000) 22.956 8.200 ( 2.429 3.245 22.378) 22.742 8.966 ( 17.022 16.250 -4.831) 24.024 9.338 ( -21.181 -0.117 2.483) 21.326 10.220 ( 12.600 8.331 15.041) 21.317 10.459 ( -11.987 8.343 13.767) 20.070 11.544 ( 6.991 -1.481 -2.648) 7.621 11.942 ( -4.463 6.499 -2.694) 8.332 12.197 ( -4.607 -7.483 -2.862) 9.242 12.684 ( -6.873 10.111 2.796) 12.541 13.850 ( 8.180 -20.529 -4.031) 22.464 13.972 ( -0.153 -17.716 -5.585) 18.576 14.517 ( 8.405 7.762 -9.551) 14.903 14.637 ( 7.047 7.544 -1.626) 10.451 15.273 ( -1.332 -1.201 -8.434) 8.623 15.515 ( -21.053 1.742 -14.108) 25.403 16.641 ( 12.127 -12.341 12.541) 21.369 17.086 ( -12.229 -16.067 9.233) 22.203 17.401 ( 5.443 -3.382 -13.930) 15.333 17.930 ( 5.329 -3.860 -9.099) 11.229 18.252 ( 4.455 -3.708 -3.635) 6.842 18.322 ( -5.776 -1.880 -2.466) 6.556 18.857 ( 1.911 3.235 4.105) 5.565 19.216 ( -5.277 1.056 -1.390) 5.558 19.750 ( 17.733 3.602 -9.560) 20.465 20.176 ( -19.942 12.452 -7.910) 24.806 20.650 ( 9.205 -5.920 -11.733) 16.045 20.922 ( -4.777 2.610 -14.499) 15.487 21.786 ( -1.143 -8.391 -23.893) 25.349 22.060 ( 0.279 2.203 -26.093) 26.187 22.496 ( 3.925 -8.929 -3.594) 10.395 22.795 ( -3.212 0.592 -6.976) 7.702 23.702 ( 1.289 -9.685 -22.200) 24.255 23.808 ( -0.264 -9.795 -11.818) 15.352 24.334 ( 5.668 4.917 -3.684) 8.359 24.477 ( -9.346 -3.668 -6.015) 11.704 24.958 ( 3.963 6.901 -0.040) 7.958 25.137 ( -5.930 3.928 2.560) 7.560 26.470 ( 0.813 -16.421 4.739) 17.110 26.891 ( -7.008 -5.509 -2.989) 9.401 27.788 ( 8.438 -15.895 12.808) 22.088 28.174 ( -3.006 -10.332 7.461) 13.094 29.087 ( -1.809 3.047 10.968) 11.526 29.159 ( -3.377 5.204 7.020) 9.368 29.914 ( 3.402 -2.825 1.814) 4.780 30.150 ( -0.638 0.701 5.938) 6.013 30.451 ( 8.440 16.486 3.874) 18.921 30.734 ( -5.457 23.890 -0.744) 24.517 31.057 ( 11.337 11.778 4.477) 16.950 31.324 ( -13.640 10.617 2.095) 17.412 32.659 ( 2.785 2.199 10.316) 10.910 32.896 ( -1.306 6.754 16.063) 17.474 33.327 ( 3.373 -2.296 23.607) 23.957 33.454 ( -3.703 0.178 31.073) 31.293 34.761 ( 5.584 -0.479 15.405) 16.392 35.034 ( -5.228 7.620 14.452) 17.154 36.635 ( 13.207 -25.033 -29.080) 40.580 37.321 ( -7.155 -4.518 -33.504) 34.556 ======================= Grid point 175 (61/126) ======================= q-point: ( 0.00 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.000 12.503 3.315) 12.935 2.314 ( 0.000 13.228 -2.112) 13.395 2.578 ( 0.000 5.485 9.139) 10.659 3.011 ( 0.000 -3.730 11.754) 12.332 3.303 ( 0.000 -5.745 -10.638) 12.090 3.456 ( 0.000 -0.989 6.712) 6.785 4.893 ( 0.000 16.454 18.433) 24.708 5.237 ( 0.000 30.746 22.993) 38.393 6.147 ( 0.000 9.848 1.321) 9.936 6.248 ( 0.000 -11.775 -1.040) 11.821 6.778 ( 0.000 6.338 13.155) 14.603 7.241 ( 0.000 8.940 14.527) 17.057 7.390 ( 0.000 12.561 5.236) 13.609 7.758 ( 0.000 33.471 24.760) 41.634 8.026 ( 0.000 19.658 34.335) 39.564 8.541 ( 0.000 24.809 22.319) 33.372 9.196 ( 0.000 21.101 3.844) 21.448 9.758 ( 0.000 4.880 10.394) 11.482 9.954 ( 0.000 -1.842 17.126) 17.225 11.023 ( 0.000 6.288 5.600) 8.420 11.255 ( 0.000 9.097 -8.198) 12.246 11.962 ( 0.000 0.935 -3.828) 3.941 12.602 ( 0.000 -11.209 6.777) 13.098 12.977 ( 0.000 3.254 -6.955) 7.679 13.250 ( 0.000 -2.193 -13.093) 13.275 13.703 ( 0.000 -8.355 -4.599) 9.537 14.230 ( 0.000 -6.971 3.060) 7.613 14.587 ( 0.000 8.763 9.277) 12.761 15.444 ( 0.000 -3.336 -6.414) 7.230 16.080 ( 0.000 -5.550 3.252) 6.433 16.344 ( 0.000 4.086 -9.513) 10.354 16.531 ( 0.000 -31.521 0.149) 31.522 17.251 ( 0.000 -6.811 -12.902) 14.590 17.426 ( 0.000 -17.308 11.962) 21.040 18.159 ( 0.000 8.307 -22.044) 23.558 18.527 ( 0.000 -4.514 -6.033) 7.534 19.034 ( 0.000 -3.922 -6.708) 7.770 19.327 ( 0.000 3.284 1.336) 3.545 19.379 ( 0.000 5.507 1.865) 5.814 20.172 ( 0.000 -10.936 -20.008) 22.802 20.750 ( 0.000 -6.889 -16.432) 17.818 21.105 ( 0.000 10.378 -11.848) 15.751 21.685 ( 0.000 -8.990 -16.974) 19.208 21.842 ( 0.000 -10.063 -18.728) 21.260 22.469 ( 0.000 5.306 -7.496) 9.184 22.837 ( 0.000 -3.755 -10.551) 11.199 23.504 ( 0.000 -9.291 -16.501) 18.937 23.608 ( 0.000 -3.970 -5.224) 6.561 24.319 ( 0.000 -22.264 0.641) 22.273 24.451 ( 0.000 8.450 6.660) 10.759 25.044 ( 0.000 2.609 -9.244) 9.605 25.260 ( 0.000 3.236 -11.215) 11.672 26.248 ( 0.000 -17.238 15.409) 23.121 26.677 ( 0.000 -23.065 6.960) 24.092 27.599 ( 0.000 9.468 -16.107) 18.684 27.882 ( 0.000 -18.595 -2.611) 18.778 29.154 ( 0.000 -2.809 2.028) 3.464 29.681 ( 0.000 4.447 -0.028) 4.447 29.688 ( 0.000 12.791 13.478) 18.581 30.189 ( 0.000 7.311 9.654) 12.110 30.533 ( 0.000 14.721 13.338) 19.865 31.126 ( 0.000 17.855 15.124) 23.400 31.320 ( 0.000 14.366 -2.183) 14.531 31.945 ( 0.000 12.506 8.902) 15.350 32.714 ( 0.000 9.804 4.112) 10.632 32.936 ( 0.000 3.803 16.747) 17.173 33.186 ( 0.000 -0.117 8.211) 8.212 33.612 ( 0.000 2.366 31.546) 31.634 34.644 ( 0.000 1.539 11.597) 11.699 35.338 ( 0.000 8.746 7.051) 11.234 35.731 ( 0.000 -18.839 -7.690) 20.348 37.242 ( 0.000 -18.366 -25.699) 31.587 ======================= Grid point 176 (62/126) ======================= q-point: ( 0.20 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 2.422 12.356 2.622) 12.861 2.284 ( -2.883 12.756 -1.081) 13.123 2.616 ( 3.984 5.766 7.904) 10.564 2.968 ( -4.540 -1.916 9.318) 10.541 3.305 ( 0.328 -6.483 -5.342) 8.407 3.479 ( 1.956 -2.077 2.727) 3.947 4.913 ( 4.192 15.694 18.222) 24.411 5.409 ( 15.725 28.929 20.343) 38.704 5.883 ( -20.315 4.530 2.272) 20.937 6.308 ( -1.185 0.020 5.530) 5.656 6.723 ( -4.290 9.899 16.097) 19.378 7.162 ( -5.722 2.872 11.090) 12.806 7.405 ( 2.429 20.665 11.764) 23.903 7.829 ( 2.600 26.271 20.008) 33.125 8.156 ( 12.628 13.939 28.576) 34.210 8.510 ( -1.491 27.576 24.173) 36.702 9.258 ( 4.466 21.927 1.340) 22.418 9.520 ( -15.303 -4.829 15.374) 22.223 10.168 ( 14.598 8.372 12.382) 20.893 10.909 ( -8.725 11.693 4.868) 15.380 11.401 ( 10.857 4.926 -6.863) 13.756 11.960 ( -0.364 -1.972 -2.827) 3.466 12.372 ( -16.313 -3.608 -0.472) 16.714 13.001 ( -5.366 2.509 1.670) 6.154 13.316 ( 7.578 -7.803 -10.473) 15.099 13.677 ( -0.207 -9.370 -4.303) 10.312 14.365 ( 11.775 -6.041 0.007) 13.234 14.614 ( 3.212 5.862 7.278) 9.882 15.343 ( -8.892 -4.199 -5.839) 11.437 15.912 ( -18.376 -2.720 -8.846) 20.575 16.315 ( 4.382 -2.791 6.153) 8.053 16.686 ( 7.465 -23.400 -0.143) 24.563 17.283 ( 3.668 -5.442 -13.898) 15.369 17.457 ( 3.907 -19.053 7.644) 20.898 18.200 ( 3.455 6.475 -18.225) 19.647 18.477 ( -5.043 -2.565 -5.062) 7.591 18.942 ( -5.705 -0.544 -5.462) 7.917 19.264 ( -7.522 -10.488 -3.378) 13.342 19.560 ( 16.841 14.096 -2.990) 22.164 20.265 ( 8.560 -12.151 -15.801) 21.693 20.678 ( -7.674 0.163 -13.301) 15.357 21.063 ( -3.975 6.772 -14.107) 16.145 21.654 ( -2.951 -8.697 -18.841) 20.960 21.889 ( 4.313 -10.605 -16.402) 20.002 22.447 ( -2.062 3.879 -7.914) 9.052 22.822 ( -1.475 -2.678 -5.631) 6.407 23.483 ( -0.529 -9.188 -17.993) 20.210 23.654 ( 2.483 -4.685 -5.917) 7.945 24.199 ( -8.585 -17.401 -0.909) 19.425 24.557 ( 7.762 6.388 1.961) 10.242 24.970 ( -4.169 -0.578 -2.968) 5.150 25.313 ( 1.464 4.562 -8.609) 9.852 26.196 ( -3.882 -14.850 10.870) 18.808 26.684 ( 0.180 -20.017 5.217) 20.687 27.564 ( -2.022 3.384 -11.335) 12.001 27.902 ( 1.029 -16.743 -3.028) 17.046 29.166 ( -0.125 -2.159 3.939) 4.494 29.413 ( -11.705 8.993 7.696) 16.647 29.900 ( 7.129 8.565 6.174) 12.740 30.191 ( 0.307 4.704 5.781) 7.459 30.610 ( 8.336 15.563 13.023) 21.938 31.195 ( 7.048 16.902 14.822) 23.559 31.272 ( -5.271 15.245 -1.444) 16.195 31.829 ( -10.854 13.329 9.770) 19.772 32.743 ( 2.511 9.342 2.225) 9.926 32.985 ( 3.235 4.913 12.693) 13.990 33.200 ( 2.792 -0.944 15.840) 16.112 33.573 ( -4.143 2.632 30.637) 31.028 34.686 ( 3.942 1.182 11.305) 12.030 35.286 ( -4.278 7.889 7.457) 11.668 35.877 ( 13.204 -19.968 -11.755) 26.669 37.193 ( -4.960 -17.952 -25.274) 31.396 ======================= Grid point 177 (63/126) ======================= q-point: ( 0.40 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 1.734 12.158 1.375) 12.357 2.232 ( -1.944 12.351 0.230) 12.505 2.718 ( 6.882 4.745 6.297) 10.466 2.855 ( -7.263 1.735 6.523) 9.915 3.313 ( 0.415 -7.959 -0.194) 7.972 3.509 ( 0.973 -3.215 -1.412) 3.644 5.083 ( 13.806 12.710 14.160) 23.508 5.447 ( -19.519 7.931 8.350) 22.663 5.785 ( 18.002 23.392 17.453) 34.292 6.144 ( -15.164 16.678 15.238) 27.209 6.692 ( 0.442 7.834 16.138) 17.945 7.091 ( -1.794 6.815 11.466) 13.458 7.436 ( 0.459 12.706 13.189) 18.320 7.847 ( 0.204 14.417 16.824) 22.157 8.355 ( 7.198 20.656 22.659) 31.494 8.514 ( 0.212 27.414 24.040) 36.462 9.226 ( -5.729 2.348 7.673) 9.859 9.396 ( 0.764 10.897 10.351) 15.049 10.431 ( 12.739 11.634 9.417) 19.655 10.736 ( -9.577 17.027 5.690) 20.347 11.562 ( 5.802 2.657 -4.499) 7.808 11.877 ( -7.880 -7.876 -2.305) 11.377 12.251 ( 3.548 5.883 -7.147) 9.913 12.794 ( -11.539 -0.532 4.000) 12.224 13.485 ( 8.219 -12.132 0.200) 14.655 13.668 ( -2.092 -8.827 -6.227) 11.003 14.580 ( 9.648 -3.218 -2.628) 10.505 14.686 ( 2.294 -2.372 2.897) 4.391 15.210 ( -3.099 -4.706 -3.177) 6.469 15.560 ( -15.198 2.676 -13.617) 20.580 16.448 ( 7.536 -5.381 9.427) 13.214 16.697 ( -4.349 -16.325 4.082) 17.381 17.372 ( 3.683 -4.340 -16.270) 17.237 17.561 ( 5.759 -24.537 2.020) 25.285 18.231 ( -0.924 -0.355 -0.955) 1.375 18.387 ( -2.637 5.186 -16.498) 17.494 18.888 ( -0.358 -1.488 -2.804) 3.194 19.122 ( -5.828 -8.536 -10.149) 14.486 19.874 ( 13.890 6.290 -11.123) 18.874 20.376 ( -1.443 -0.384 -4.105) 4.368 20.540 ( -2.068 -1.021 -12.328) 12.542 20.983 ( -3.698 4.584 -17.413) 18.382 21.605 ( -1.663 -9.341 -20.780) 22.843 21.961 ( 2.526 -10.580 -13.711) 17.502 22.412 ( -1.234 1.311 -7.164) 7.387 22.795 ( -1.006 -0.797 -0.021) 1.284 23.508 ( 2.793 -9.490 -20.525) 22.784 23.643 ( -3.198 -6.337 -7.405) 10.257 24.088 ( -2.640 -16.489 -2.114) 16.832 24.663 ( 2.527 12.572 -10.052) 16.294 24.973 ( 4.361 -7.775 8.656) 12.426 25.250 ( -6.537 6.711 1.399) 9.472 26.160 ( -0.121 -11.888 0.494) 11.899 26.674 ( -0.880 -13.755 1.711) 13.889 27.563 ( 1.304 -5.737 -4.349) 7.317 27.894 ( -1.374 -14.723 -3.011) 15.090 29.126 ( -2.415 0.908 12.907) 13.163 29.296 ( -2.206 7.168 2.586) 7.933 29.987 ( 3.106 8.167 0.798) 8.774 30.178 ( -1.536 2.492 7.570) 8.116 30.807 ( 10.716 16.125 9.609) 21.614 31.126 ( -8.773 13.386 2.736) 16.237 31.374 ( 11.297 17.537 12.100) 24.116 31.604 ( -12.679 15.021 10.539) 22.304 32.786 ( 1.641 9.936 -0.181) 10.072 33.002 ( -0.543 3.340 8.100) 8.779 33.311 ( 7.922 -0.903 27.455) 28.590 33.467 ( -6.966 3.807 27.549) 28.670 34.757 ( 2.705 0.019 10.822) 11.155 35.218 ( -2.400 8.833 8.273) 12.338 36.106 ( 8.578 -23.854 -18.328) 31.281 37.093 ( -4.247 -16.645 -24.071) 29.572 ======================= Grid point 180 (64/126) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.000 15.238 -2.398) 15.425 2.570 ( 0.000 11.325 -3.569) 11.874 2.668 ( 0.000 3.100 4.008) 5.067 2.914 ( 0.000 -5.165 10.731) 11.909 3.191 ( 0.000 -4.937 -7.827) 9.254 3.422 ( 0.000 -2.476 1.863) 3.099 5.290 ( 0.000 21.030 14.507) 25.548 5.733 ( 0.000 15.188 5.828) 16.268 6.041 ( 0.000 -6.241 1.021) 6.324 6.350 ( 0.000 10.730 0.529) 10.743 6.911 ( 0.000 8.037 5.068) 9.501 7.512 ( 0.000 17.483 20.643) 27.051 7.758 ( 0.000 20.232 17.180) 26.542 8.284 ( 0.000 16.011 31.752) 35.561 8.457 ( 0.000 18.350 32.400) 37.235 9.172 ( 0.000 29.775 18.360) 34.981 9.403 ( 0.000 7.396 20.756) 22.035 9.905 ( 0.000 14.874 10.746) 18.350 10.192 ( 0.000 18.113 -6.618) 19.284 11.119 ( 0.000 3.266 -1.662) 3.665 11.309 ( 0.000 -7.446 4.127) 8.513 12.028 ( 0.000 5.066 -0.599) 5.101 12.377 ( 0.000 -4.974 5.202) 7.198 13.016 ( 0.000 1.100 -0.771) 1.343 13.440 ( 0.000 17.796 -16.157) 24.036 13.557 ( 0.000 -3.803 -1.867) 4.237 13.976 ( 0.000 -15.745 5.957) 16.834 14.718 ( 0.000 1.538 15.700) 15.775 15.389 ( 0.000 -1.668 -2.568) 3.062 15.763 ( 0.000 -31.375 -11.175) 33.306 16.177 ( 0.000 3.638 8.032) 8.817 16.417 ( 0.000 3.415 -6.202) 7.080 17.037 ( 0.000 -13.921 -11.389) 17.986 17.170 ( 0.000 -6.982 7.130) 9.979 18.322 ( 0.000 4.987 -18.759) 19.410 18.377 ( 0.000 -10.263 -14.389) 17.674 18.948 ( 0.000 -3.976 -5.086) 6.456 19.013 ( 0.000 -15.667 -7.060) 17.184 19.761 ( 0.000 13.925 -6.245) 15.261 19.913 ( 0.000 -13.945 -21.409) 25.550 20.594 ( 0.000 -6.071 -16.559) 17.636 21.179 ( 0.000 -2.897 -12.183) 12.523 21.501 ( 0.000 -8.864 -12.494) 15.319 21.670 ( 0.000 -6.820 -10.311) 12.362 22.568 ( 0.000 3.815 -2.788) 4.725 22.740 ( 0.000 -5.597 -6.342) 8.459 23.357 ( 0.000 -5.492 -15.266) 16.224 23.531 ( 0.000 -3.709 -1.216) 3.903 23.917 ( 0.000 -15.196 2.863) 15.463 24.537 ( 0.000 0.001 17.408) 17.408 25.154 ( 0.000 8.623 -13.257) 15.815 25.282 ( 0.000 -0.900 -13.578) 13.608 25.973 ( 0.000 -8.966 11.986) 14.968 26.321 ( 0.000 -11.981 -1.384) 12.060 27.481 ( 0.000 -19.485 -9.118) 21.513 27.772 ( 0.000 7.111 -19.284) 20.553 29.093 ( 0.000 -2.601 1.761) 3.141 29.767 ( 0.000 3.543 -6.675) 7.557 29.953 ( 0.000 11.896 9.295) 15.097 30.320 ( 0.000 5.417 9.853) 11.244 30.823 ( 0.000 12.950 21.880) 25.426 31.379 ( 0.000 6.689 24.221) 25.127 31.599 ( 0.000 12.437 1.102) 12.486 32.076 ( 0.000 0.418 22.854) 22.858 32.925 ( 0.000 11.409 -1.245) 11.476 33.111 ( 0.000 11.848 12.923) 17.532 33.260 ( 0.000 6.662 -3.817) 7.678 33.664 ( 0.000 3.282 24.499) 24.718 34.647 ( 0.000 -1.147 9.291) 9.361 35.397 ( 0.000 -13.853 -8.903) 16.467 35.530 ( 0.000 9.302 8.821) 12.819 36.827 ( 0.000 -20.572 -14.174) 24.983 ======================= Grid point 181 (65/126) ======================= q-point: ( 0.20 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 1.859 14.910 -2.558) 15.241 2.523 ( -3.640 9.979 -2.211) 10.850 2.720 ( 4.267 4.457 3.366) 7.029 2.905 ( -1.041 -3.906 9.957) 10.747 3.180 ( -1.192 -5.382 -6.850) 8.792 3.425 ( 0.307 -3.250 1.003) 3.415 5.279 ( 1.000 19.192 12.201) 22.764 5.870 ( 7.777 11.358 -2.637) 14.016 5.935 ( -7.946 3.976 11.564) 14.583 6.357 ( 2.614 5.769 4.498) 7.768 6.909 ( 0.616 10.414 7.285) 12.724 7.412 ( -6.715 20.013 16.640) 26.879 7.866 ( 1.715 21.765 16.158) 27.161 8.117 ( -10.110 5.671 39.334) 41.007 8.586 ( 11.971 19.342 21.000) 30.958 9.199 ( 2.384 31.890 19.194) 37.297 9.467 ( 4.754 7.354 21.760) 23.455 9.680 ( -15.318 20.456 6.791) 26.443 10.422 ( 16.397 14.402 -1.402) 21.869 11.073 ( -3.297 3.784 0.150) 5.022 11.424 ( 9.096 -7.304 1.239) 11.731 11.944 ( -8.446 1.208 1.181) 8.613 12.267 ( -7.354 -2.033 1.029) 7.699 13.049 ( -5.307 3.603 1.929) 6.699 13.300 ( -2.708 2.972 -7.822) 8.795 13.643 ( 4.665 7.956 -5.634) 10.808 14.124 ( 13.218 -15.290 4.189) 20.641 14.648 ( -6.059 -4.570 13.498) 15.485 15.261 ( -8.984 -2.891 -1.783) 9.605 15.823 ( -4.856 -10.751 -13.259) 17.748 16.160 ( 5.816 -5.559 7.759) 11.177 16.486 ( 6.019 1.796 -4.134) 7.519 17.035 ( -1.109 -14.825 -1.894) 14.987 17.183 ( 2.055 -9.689 -3.509) 10.508 18.294 ( -3.698 -2.071 -9.038) 9.982 18.392 ( 2.023 -3.481 -18.880) 19.304 18.871 ( -5.180 -7.009 -7.743) 11.658 19.019 ( -1.645 -8.104 -10.972) 13.740 19.823 ( 5.012 4.750 -11.442) 13.364 19.992 ( 9.378 -10.652 -15.580) 21.075 20.584 ( -1.958 -6.907 -16.623) 18.107 21.159 ( -2.444 1.392 -10.422) 10.795 21.459 ( -3.050 -10.466 -13.994) 17.740 21.714 ( 3.850 -5.518 -7.727) 10.246 22.525 ( -3.858 3.007 -7.339) 8.820 22.743 ( 0.129 -5.087 1.640) 5.347 23.324 ( -2.158 -6.461 -17.012) 18.324 23.563 ( 0.933 -4.593 -1.215) 4.842 23.878 ( -2.586 -11.035 -0.642) 11.352 24.614 ( 7.014 -2.726 19.069) 20.500 24.981 ( -9.302 3.235 -10.921) 14.705 25.405 ( 3.143 4.926 -13.084) 14.330 25.957 ( 0.099 -8.462 7.005) 10.986 26.355 ( 3.158 -11.752 -0.381) 12.175 27.487 ( 0.334 -14.645 -10.643) 18.106 27.718 ( -4.746 2.450 -15.718) 16.601 29.124 ( 2.382 -1.522 2.960) 4.093 29.571 ( -12.420 5.854 -0.255) 13.733 30.093 ( 7.136 9.302 3.714) 12.298 30.298 ( -1.802 5.481 8.176) 10.007 30.894 ( 7.518 11.964 20.485) 24.886 31.397 ( -0.104 4.704 20.952) 21.474 31.596 ( 1.183 13.948 4.888) 14.827 32.009 ( -6.574 3.491 21.127) 22.399 32.946 ( 2.184 10.276 0.474) 10.516 33.120 ( -0.109 7.894 9.279) 12.183 33.268 ( 1.432 7.710 2.377) 8.194 33.649 ( -1.450 5.119 22.908) 23.518 34.688 ( 3.857 -0.970 8.569) 9.447 35.338 ( -3.953 -7.369 -6.807) 10.783 35.640 ( 8.919 0.827 5.051) 10.283 36.785 ( -4.143 -20.262 -14.046) 25.000 ======================= Grid point 182 (66/126) ======================= q-point: ( 0.40 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 1.374 14.342 -2.919) 14.700 2.466 ( -1.964 9.982 -1.559) 10.292 2.802 ( 4.373 3.379 4.929) 7.405 2.871 ( -2.806 -0.248 7.540) 8.049 3.157 ( -0.872 -6.718 -5.225) 8.556 3.431 ( 0.237 -4.388 -0.251) 4.402 5.373 ( 9.099 15.197 8.709) 19.738 5.635 ( -15.461 10.388 3.431) 18.940 6.075 ( 5.694 4.967 4.510) 8.800 6.442 ( 4.764 11.628 16.213) 20.513 6.962 ( 3.973 15.645 13.434) 21.001 7.311 ( -2.851 17.424 6.021) 18.654 7.654 ( -14.067 8.681 23.294) 28.563 8.117 ( 2.970 15.143 34.583) 37.870 8.831 ( 11.521 8.367 9.914) 17.350 9.218 ( -2.239 40.722 18.527) 44.795 9.407 ( -6.400 26.526 16.966) 32.131 9.579 ( 1.762 4.749 17.607) 18.321 10.685 ( 10.066 12.309 -1.816) 16.004 11.013 ( -3.088 7.079 1.393) 7.848 11.558 ( 5.671 -6.647 1.489) 8.864 11.739 ( -11.500 -5.498 3.197) 13.142 12.301 ( 11.257 2.715 -6.311) 13.188 12.737 ( -19.963 -0.871 -1.750) 20.059 13.442 ( 9.899 6.519 4.024) 12.518 13.660 ( -2.811 5.944 -1.617) 6.771 14.374 ( 12.044 -14.097 3.622) 18.892 14.538 ( -6.196 -12.019 7.701) 15.561 15.138 ( -3.424 -1.055 0.439) 3.610 15.625 ( -9.467 2.882 -12.987) 16.328 16.362 ( 11.662 -5.341 4.925) 13.740 16.528 ( -3.835 0.200 -1.409) 4.091 17.054 ( 3.640 -20.437 2.474) 20.906 17.205 ( -0.485 -13.551 -12.442) 18.403 18.214 ( -3.436 -1.431 0.661) 3.780 18.421 ( 0.631 -4.506 -20.012) 20.523 18.837 ( 2.116 -3.290 -12.141) 12.755 18.942 ( -5.716 -5.961 -15.683) 17.724 19.893 ( 2.149 -6.339 -16.874) 18.153 20.241 ( 15.410 -6.572 -11.688) 20.428 20.487 ( -9.205 -7.165 -14.462) 18.580 21.084 ( -4.120 -0.272 -11.978) 12.669 21.446 ( 1.051 -2.724 -12.143) 12.489 21.772 ( 1.688 -6.110 -3.936) 7.462 22.464 ( -1.995 2.413 -10.665) 11.115 22.743 ( -0.078 -4.770 9.169) 10.336 23.303 ( -0.241 -9.701 -18.862) 21.212 23.525 ( -3.165 -5.423 -3.162) 7.030 23.871 ( 1.025 -3.751 -4.515) 5.959 24.693 ( -0.011 -12.259 22.224) 25.381 24.937 ( 4.375 8.776 -14.442) 17.457 25.342 ( -6.603 2.446 0.014) 7.042 25.999 ( 2.613 -4.566 -7.361) 9.048 26.410 ( 1.987 -11.082 1.714) 11.388 27.490 ( 0.174 -4.026 -14.236) 14.795 27.640 ( -2.843 -8.245 -9.306) 12.754 29.150 ( 0.328 1.701 9.152) 9.314 29.411 ( -4.297 3.648 -2.321) 6.096 30.177 ( 2.892 9.288 1.154) 9.796 30.261 ( -2.121 5.470 8.296) 10.161 31.074 ( 10.487 9.985 17.178) 22.467 31.310 ( -8.203 5.372 14.252) 17.299 31.691 ( 8.185 12.150 13.938) 20.221 31.861 ( -8.972 8.705 17.806) 21.756 32.999 ( 3.181 8.363 3.997) 9.800 33.086 ( -2.973 5.544 2.319) 6.705 33.309 ( 1.950 4.904 13.410) 14.411 33.622 ( -1.073 9.268 19.110) 21.266 34.755 ( 2.438 -0.464 8.039) 8.414 35.282 ( -1.752 -5.853 -7.869) 9.962 35.788 ( 5.394 -4.172 3.062) 7.475 36.705 ( -3.257 -19.597 -13.839) 24.211 ======================= Grid point 185 (67/126) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 0.000 11.113 -3.977) 11.803 2.708 ( 0.000 1.036 1.842) 2.113 2.718 ( 0.000 -0.248 -4.032) 4.039 2.867 ( 0.000 4.147 8.562) 9.514 3.107 ( 0.000 -3.234 -5.464) 6.350 3.354 ( 0.000 -4.066 -0.781) 4.140 5.679 ( 0.000 15.392 11.126) 18.992 5.771 ( 0.000 -4.883 -1.984) 5.271 6.072 ( 0.000 3.338 -5.256) 6.227 6.610 ( 0.000 14.136 4.432) 14.814 7.154 ( 0.000 15.315 3.594) 15.731 7.896 ( 0.000 18.849 20.649) 27.958 8.080 ( 0.000 8.368 44.185) 44.971 8.531 ( 0.000 10.353 38.496) 39.864 8.746 ( 0.000 14.062 16.363) 21.575 9.376 ( 0.000 -4.664 13.280) 14.075 9.631 ( 0.000 10.616 2.093) 10.821 10.444 ( 0.000 16.515 7.243) 18.033 10.493 ( 0.000 9.870 -9.217) 13.504 11.089 ( 0.000 3.380 14.317) 14.711 11.138 ( 0.000 -1.608 -3.919) 4.236 12.176 ( 0.000 10.348 1.890) 10.519 12.452 ( 0.000 9.101 12.465) 15.434 13.053 ( 0.000 1.926 8.070) 8.296 13.490 ( 0.000 -18.137 5.939) 19.085 13.584 ( 0.000 6.856 7.281) 10.001 14.001 ( 0.000 20.014 -18.765) 27.435 14.610 ( 0.000 -11.582 18.950) 22.209 15.148 ( 0.000 -24.253 -9.808) 26.161 15.371 ( 0.000 -0.477 -1.392) 1.471 16.305 ( 0.000 0.880 -0.733) 1.145 16.517 ( 0.000 6.891 -2.369) 7.287 16.771 ( 0.000 -5.143 -9.246) 10.580 17.140 ( 0.000 3.546 -0.048) 3.547 18.089 ( 0.000 -18.005 -16.005) 24.090 18.162 ( 0.000 -21.557 -6.131) 22.412 18.897 ( 0.000 -0.666 -7.431) 7.461 18.908 ( 0.000 6.698 -23.532) 24.467 19.632 ( 0.000 -12.745 -20.223) 23.904 19.828 ( 0.000 -7.095 -22.771) 23.851 20.617 ( 0.000 8.476 -5.345) 10.021 21.076 ( 0.000 -4.937 -11.553) 12.564 21.322 ( 0.000 -8.718 -9.036) 12.556 21.512 ( 0.000 -9.167 -4.273) 10.114 22.615 ( 0.000 0.879 2.136) 2.310 22.630 ( 0.000 -4.482 -1.876) 4.859 23.264 ( 0.000 -3.801 -14.761) 15.243 23.455 ( 0.000 -3.622 0.100) 3.624 23.723 ( 0.000 -4.453 0.253) 4.460 24.501 ( 0.000 -2.165 23.663) 23.762 25.242 ( 0.000 -2.368 -16.533) 16.701 25.379 ( 0.000 12.612 -14.472) 19.197 25.868 ( 0.000 -2.274 8.861) 9.148 26.143 ( 0.000 -6.939 -6.941) 9.815 27.121 ( 0.000 -14.879 -13.865) 20.338 27.885 ( 0.000 3.935 -20.669) 21.041 29.051 ( 0.000 -1.525 1.740) 2.314 29.824 ( 0.000 2.081 -11.162) 11.354 30.144 ( 0.000 6.566 8.036) 10.377 30.423 ( 0.000 4.842 10.227) 11.316 31.051 ( 0.000 9.384 24.339) 26.086 31.426 ( 0.000 -1.040 31.115) 31.132 31.783 ( 0.000 4.170 14.278) 14.874 32.038 ( 0.000 -1.600 17.023) 17.098 33.169 ( 0.000 11.300 6.538) 13.055 33.353 ( 0.000 10.667 -1.376) 10.756 33.389 ( 0.000 4.623 4.359) 6.353 33.776 ( 0.000 7.874 2.119) 8.155 34.607 ( 0.000 -2.431 10.922) 11.190 35.147 ( 0.000 -10.962 -5.325) 12.187 35.696 ( 0.000 6.551 8.703) 10.893 36.460 ( 0.000 -14.263 -5.469) 15.276 ======================= Grid point 186 (68/126) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 1.237 10.797 -3.995) 11.579 2.654 ( -2.919 2.144 -1.930) 4.104 2.782 ( 3.878 -1.075 0.557) 4.063 2.870 ( 0.355 4.379 8.512) 9.579 3.093 ( -1.429 -3.063 -6.288) 7.139 3.345 ( -0.874 -4.518 -0.217) 4.607 5.625 ( -1.176 12.656 4.854) 13.606 5.889 ( 5.230 -0.218 3.096) 6.082 6.069 ( 0.742 1.994 -0.039) 2.129 6.532 ( -4.647 11.223 4.013) 12.793 7.223 ( 5.574 18.302 5.084) 19.796 7.842 ( -4.542 18.364 17.522) 25.785 8.077 ( -7.730 3.447 41.150) 42.012 8.407 ( -2.223 19.867 32.668) 38.299 8.802 ( 2.399 6.102 18.898) 20.003 9.439 ( 5.919 -3.289 16.160) 17.521 9.702 ( 6.727 12.426 4.153) 14.728 10.327 ( -7.255 26.465 3.216) 27.630 10.661 ( 11.817 1.866 -4.943) 12.945 11.019 ( -3.427 -2.871 1.830) 4.831 11.257 ( 7.836 1.552 6.037) 10.013 12.018 ( -15.087 8.509 5.705) 18.237 12.389 ( -2.711 10.623 7.116) 13.071 13.158 ( -1.784 1.365 12.421) 12.623 13.296 ( -4.652 -0.863 -0.090) 4.733 13.738 ( 7.831 -8.691 8.587) 14.512 14.039 ( 5.235 11.937 -10.200) 16.551 14.481 ( -8.070 -4.797 11.117) 14.550 15.210 ( -1.132 -5.064 -1.808) 5.495 15.473 ( 11.382 -16.457 -6.833) 21.144 16.232 ( -6.326 5.933 -0.578) 8.692 16.549 ( 6.335 -0.377 -2.629) 6.869 16.782 ( -2.234 -4.497 -4.853) 6.983 17.072 ( -5.943 0.169 -3.791) 7.051 18.062 ( -0.113 -17.175 -10.992) 20.391 18.234 ( 4.304 -15.994 -10.363) 19.538 18.745 ( -7.021 -1.296 -13.965) 15.684 19.030 ( 2.261 6.699 -19.080) 20.348 19.604 ( 0.879 -14.674 -18.908) 23.950 19.932 ( 9.103 -6.001 -22.032) 24.582 20.497 ( -9.804 -0.089 -10.974) 14.716 21.097 ( -10.198 -8.985 -8.113) 15.829 21.294 ( 10.625 -2.318 -7.063) 12.968 21.628 ( 7.549 -3.940 -3.858) 9.348 22.554 ( -4.351 -0.380 -5.866) 7.314 22.640 ( -0.439 -3.727 6.062) 7.130 23.221 ( -3.346 -3.489 -14.367) 15.159 23.469 ( -0.905 -4.308 1.114) 4.541 23.758 ( 5.080 -2.021 -2.169) 5.882 24.521 ( 0.186 -4.329 23.620) 24.015 25.061 ( -7.280 3.336 -14.466) 16.534 25.531 ( 1.353 7.372 -11.852) 14.023 25.837 ( 1.881 -3.576 2.594) 4.802 26.174 ( 2.847 -7.147 -6.160) 9.855 27.198 ( 7.456 -11.862 -13.622) 19.541 27.783 ( -9.883 2.643 -18.436) 21.084 29.104 ( 4.829 -0.537 1.727) 5.157 29.653 ( -13.089 2.480 -4.746) 14.142 30.251 ( 6.752 5.837 3.044) 9.430 30.410 ( -1.189 5.280 8.499) 10.076 31.101 ( 5.281 8.449 24.349) 26.309 31.425 ( -0.851 -1.260 28.661) 28.701 31.794 ( 1.538 4.539 14.715) 15.476 32.011 ( -2.706 -1.071 17.132) 17.378 33.151 ( -1.748 9.186 11.495) 14.818 33.278 ( -4.409 6.672 3.317) 8.658 33.469 ( 4.825 10.310 -4.900) 12.393 33.786 ( 0.886 8.042 3.591) 8.852 34.649 ( 4.087 -2.672 9.949) 11.083 35.115 ( -3.185 -11.307 -5.026) 12.777 35.748 ( 5.078 5.949 8.182) 11.319 36.423 ( -3.739 -14.166 -5.423) 15.622 ======================= Grid point 187 (69/126) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 0.954 10.275 -4.102) 11.105 2.611 ( -1.438 3.315 -2.355) 4.313 2.847 ( 2.728 -0.718 3.566) 4.547 2.874 ( -0.264 3.171 8.244) 8.837 3.063 ( -1.285 -2.031 -8.772) 9.096 3.330 ( -0.547 -5.474 0.848) 5.566 5.657 ( 3.724 11.676 4.825) 13.171 5.853 ( -5.642 9.762 -0.488) 11.286 6.113 ( 1.648 0.370 6.101) 6.331 6.538 ( 3.765 -0.407 9.514) 10.240 7.312 ( 3.103 17.159 9.329) 19.776 7.712 ( -8.097 16.064 3.952) 18.418 7.893 ( -5.438 18.073 34.159) 39.026 8.467 ( 3.530 16.855 40.463) 43.975 8.821 ( 0.201 -1.620 13.990) 14.085 9.538 ( 3.186 -5.332 24.648) 25.419 9.856 ( 8.951 17.929 1.913) 20.130 10.180 ( -8.012 33.632 4.809) 34.906 10.859 ( 7.306 -2.400 -6.978) 10.384 10.979 ( -1.009 -7.303 -2.779) 7.879 11.375 ( 4.503 -0.201 5.122) 6.823 11.743 ( -11.285 10.901 11.958) 19.728 12.447 ( 9.232 8.208 1.471) 12.441 12.826 ( -19.700 7.002 0.689) 20.919 13.496 ( 13.786 -6.397 13.574) 20.377 13.718 ( -8.597 -7.474 13.663) 17.790 14.226 ( 11.587 3.517 -3.009) 12.478 14.379 ( -4.556 5.306 2.131) 7.311 15.156 ( -2.411 1.863 -0.392) 3.072 15.563 ( -1.934 -12.300 -9.417) 15.611 16.257 ( 9.128 -3.038 2.907) 10.050 16.598 ( -8.685 5.402 -4.875) 11.331 16.764 ( 8.566 -12.866 -3.400) 15.826 16.951 ( -7.748 -4.065 -5.115) 10.135 18.114 ( 5.539 -10.845 -8.294) 14.734 18.233 ( -5.023 -10.376 -10.159) 15.365 18.706 ( 2.767 -5.316 -17.535) 18.531 18.963 ( -6.483 2.845 -19.043) 20.317 19.685 ( 4.735 -9.566 -20.799) 23.378 20.126 ( 10.972 -7.522 -19.724) 23.791 20.320 ( -8.908 -5.734 -14.197) 17.714 20.871 ( -9.501 -16.117 -9.604) 21.030 21.527 ( 10.092 6.315 -2.945) 12.264 21.712 ( 0.840 -0.567 -1.306) 1.653 22.491 ( -1.797 0.219 -9.591) 9.761 22.618 ( -1.338 -6.009 7.772) 9.915 23.173 ( -1.428 -2.529 -11.783) 12.136 23.418 ( -2.706 -5.203 -0.455) 5.882 23.888 ( 6.251 3.795 -4.395) 8.532 24.456 ( -5.065 -9.613 17.924) 20.960 25.087 ( 8.066 5.048 -7.644) 12.206 25.376 ( -12.142 1.349 0.059) 12.217 25.950 ( 5.268 -0.389 -13.549) 14.543 26.224 ( 1.844 -7.526 -3.546) 8.522 27.365 ( 10.285 -6.028 -13.811) 18.245 27.572 ( -11.972 -0.841 -15.270) 19.422 29.194 ( 3.972 2.394 4.734) 6.628 29.448 ( -7.530 0.269 -3.607) 8.353 30.338 ( 3.121 6.150 3.114) 7.567 30.383 ( -1.874 5.766 5.119) 7.935 31.229 ( 7.632 5.535 23.845) 25.641 31.369 ( -5.277 0.853 24.609) 25.183 31.847 ( 3.786 3.284 15.972) 16.740 31.947 ( -3.782 0.747 16.788) 17.225 33.123 ( -0.892 5.487 19.532) 20.308 33.213 ( -2.220 6.509 1.565) 7.053 33.539 ( 2.248 13.939 -10.503) 17.597 33.800 ( 0.419 7.672 5.976) 9.734 34.728 ( 3.288 -2.226 8.930) 9.773 35.053 ( -2.617 -12.801 -5.211) 14.066 35.844 ( 3.869 5.515 7.786) 10.296 36.348 ( -3.148 -14.377 -5.599) 15.747 ======================= Grid point 190 (70/126) ======================= q-point: ( 0.00 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 0.000 5.758 -2.561) 6.302 2.644 ( 0.000 -4.084 -0.635) 4.133 2.719 ( 0.000 0.188 1.240) 1.254 2.996 ( 0.000 5.179 2.786) 5.881 3.062 ( 0.000 -1.125 -4.124) 4.274 3.269 ( 0.000 -3.424 -2.848) 4.453 5.694 ( 0.000 -2.058 -1.718) 2.680 5.890 ( 0.000 5.184 10.810) 11.988 6.090 ( 0.000 -0.370 -12.240) 12.246 6.848 ( 0.000 6.859 5.772) 8.965 7.440 ( 0.000 9.412 3.991) 10.223 8.122 ( 0.000 -1.178 57.826) 57.838 8.257 ( 0.000 14.812 19.762) 24.697 8.666 ( 0.000 -0.293 41.299) 41.300 9.053 ( 0.000 11.729 5.727) 13.053 9.256 ( 0.000 -2.674 15.110) 15.345 9.730 ( 0.000 0.179 -11.089) 11.091 10.250 ( 0.000 -14.231 5.866) 15.392 10.573 ( 0.000 -0.675 -15.538) 15.552 11.101 ( 0.000 -0.844 3.253) 3.361 11.642 ( 0.000 28.039 10.500) 29.940 12.437 ( 0.000 11.739 2.677) 12.041 12.561 ( 0.000 -2.928 25.492) 25.659 13.019 ( 0.000 -4.748 6.384) 7.956 13.178 ( 0.000 -6.805 9.353) 11.566 13.849 ( 0.000 17.490 22.515) 28.510 14.161 ( 0.000 -4.954 -24.442) 24.939 14.287 ( 0.000 -18.331 22.380) 28.929 15.004 ( 0.000 8.199 -14.076) 16.290 15.365 ( 0.000 -0.064 -6.629) 6.630 16.065 ( 0.000 -14.645 -5.547) 15.661 16.664 ( 0.000 5.263 3.603) 6.378 17.016 ( 0.000 22.070 -5.822) 22.825 17.305 ( 0.000 12.671 -8.701) 15.371 17.622 ( 0.000 -27.435 -5.423) 27.966 17.677 ( 0.000 -20.353 -12.260) 23.760 18.909 ( 0.000 1.027 -11.921) 11.965 19.120 ( 0.000 10.184 -24.786) 26.797 19.431 ( 0.000 -5.769 -17.344) 18.278 19.607 ( 0.000 -10.636 -30.015) 31.844 20.829 ( 0.000 9.354 -3.077) 9.847 21.021 ( 0.000 -0.585 -10.963) 10.979 21.148 ( 0.000 -7.530 -5.933) 9.586 21.337 ( 0.000 -5.990 -0.731) 6.034 22.570 ( 0.000 -1.398 -1.127) 1.796 22.618 ( 0.000 -0.129 5.366) 5.367 23.207 ( 0.000 -1.553 -14.530) 14.613 23.396 ( 0.000 -1.675 0.002) 1.675 23.686 ( 0.000 -0.343 -1.093) 1.145 24.472 ( 0.000 -0.642 24.643) 24.652 25.205 ( 0.000 -0.998 -19.409) 19.435 25.627 ( 0.000 9.809 -12.633) 15.994 25.847 ( 0.000 -0.259 7.690) 7.694 26.000 ( 0.000 -6.567 -9.887) 11.869 26.905 ( 0.000 -5.617 -16.513) 17.442 27.936 ( 0.000 1.187 -21.199) 21.233 29.031 ( 0.000 -0.508 1.694) 1.769 29.853 ( 0.000 0.708 -13.387) 13.405 30.228 ( 0.000 1.909 8.261) 8.478 30.503 ( 0.000 2.317 10.463) 10.717 31.205 ( 0.000 5.203 19.373) 20.059 31.375 ( 0.000 -2.979 39.407) 39.519 31.784 ( 0.000 -1.510 30.518) 30.556 32.046 ( 0.000 1.062 1.960) 2.229 33.340 ( 0.000 4.552 18.396) 18.951 33.444 ( 0.000 1.121 14.030) 14.074 33.514 ( 0.000 4.385 -17.373) 17.918 33.936 ( 0.000 5.556 -19.402) 20.182 34.563 ( 0.000 -1.389 14.127) 14.196 34.963 ( 0.000 -5.774 4.169) 7.122 35.788 ( 0.000 2.311 8.278) 8.594 36.266 ( 0.000 -4.663 -2.022) 5.083 ======================= Grid point 191 (71/126) ======================= q-point: ( 0.20 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 0.726 5.567 -2.522) 6.154 2.628 ( -1.385 -3.129 -0.772) 3.508 2.756 ( 3.621 -0.371 1.285) 3.860 2.995 ( -1.250 5.007 1.574) 5.395 3.053 ( 0.167 -0.913 -2.927) 3.071 3.253 ( -1.737 -3.704 -2.250) 4.669 5.765 ( 6.053 2.165 0.892) 6.490 5.920 ( 4.527 2.186 8.772) 10.111 6.052 ( -3.493 -1.655 -7.936) 8.827 6.751 ( -9.900 7.253 5.799) 13.574 7.514 ( 6.497 7.639 3.495) 10.620 8.006 ( -9.195 1.485 37.320) 38.465 8.295 ( 1.953 13.256 29.835) 32.706 8.651 ( -1.929 0.382 33.783) 33.840 8.996 ( -2.384 14.048 16.297) 21.648 9.310 ( 3.140 -8.440 20.256) 22.168 9.853 ( 11.758 4.927 -9.286) 15.772 10.307 ( 5.323 -15.979 2.902) 17.090 10.593 ( 2.107 -0.468 -15.072) 15.226 11.034 ( -6.987 -0.231 1.390) 7.127 11.692 ( 4.647 26.297 8.489) 28.021 12.301 ( -10.723 14.270 7.456) 19.344 12.557 ( -4.440 4.568 14.097) 15.470 12.846 ( -3.495 -20.469 13.295) 24.657 13.439 ( 7.152 2.300 8.857) 11.614 13.610 ( -16.199 0.212 10.391) 19.246 14.069 ( 7.401 -2.118 13.833) 15.831 14.618 ( 14.527 3.454 -2.916) 15.214 15.037 ( 4.008 -0.545 -10.367) 11.128 15.331 ( -3.252 -2.459 -6.950) 8.058 16.125 ( 5.653 -11.270 -6.385) 14.133 16.570 ( -8.523 4.391 0.261) 9.592 16.934 ( -7.169 11.059 -1.400) 13.254 17.161 ( -10.861 5.859 -8.317) 14.882 17.710 ( 8.697 -12.339 -9.613) 17.897 17.846 ( 12.453 -17.424 -10.106) 23.682 18.773 ( -8.514 2.077 -14.659) 17.079 19.180 ( -9.411 4.097 -21.343) 23.683 19.399 ( 11.252 -2.373 -19.258) 22.430 19.734 ( 9.070 -9.779 -27.265) 30.352 20.559 ( -16.568 4.448 -9.846) 19.779 20.877 ( -18.562 -9.071 -5.838) 21.469 21.324 ( 18.919 2.505 -4.288) 19.560 21.550 ( 13.054 -2.953 -1.787) 13.503 22.526 ( -3.795 -1.189 -2.602) 4.752 22.606 ( -1.875 -0.483 3.693) 4.170 23.179 ( -1.940 -0.834 -11.930) 12.116 23.400 ( -1.850 -2.056 1.616) 3.203 23.747 ( 8.132 0.132 -1.903) 8.353 24.465 ( -2.798 -1.252 22.094) 22.306 25.103 ( -5.075 0.912 -16.023) 16.832 25.671 ( -10.384 4.456 0.494) 11.311 25.813 ( 8.671 1.435 -8.820) 12.452 26.036 ( 3.320 -5.848 -10.160) 12.184 27.031 ( 11.853 -4.196 -15.237) 19.755 27.817 ( -11.613 0.787 -18.849) 22.154 29.098 ( 6.402 -0.108 0.920) 6.469 29.683 ( -13.803 0.639 -6.157) 15.127 30.330 ( 6.992 1.910 2.472) 7.658 30.494 ( -0.923 2.353 8.623) 8.985 31.240 ( 3.509 4.890 21.959) 22.769 31.374 ( -0.178 -2.938 36.733) 36.851 31.801 ( 1.971 -1.377 27.576) 27.680 32.017 ( -2.954 0.816 3.945) 4.995 33.301 ( -3.598 5.000 17.286) 18.351 33.359 ( -4.726 0.943 8.717) 9.960 33.637 ( 8.497 4.921 -11.943) 15.461 33.938 ( -0.162 5.122 -17.329) 18.071 34.597 ( 3.601 -1.676 13.456) 14.030 34.925 ( -3.918 -5.919 5.215) 8.808 35.836 ( 4.911 2.325 6.990) 8.853 36.228 ( -3.921 -4.734 -1.481) 6.323 ======================= Grid point 192 (72/126) ======================= q-point: ( 0.40 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 0.781 5.672 -2.513) 6.252 2.603 ( -1.025 -2.913 -0.951) 3.231 2.839 ( 5.073 0.041 1.106) 5.192 2.933 ( -4.744 1.497 0.660) 5.018 3.081 ( 1.843 3.404 -2.832) 4.796 3.215 ( -1.836 -5.291 -0.222) 5.605 5.842 ( 2.431 6.290 5.040) 8.419 5.960 ( -3.046 -0.034 -1.353) 3.333 6.130 ( 13.654 1.524 6.168) 15.060 6.510 ( -14.548 -1.164 6.357) 15.919 7.620 ( 3.713 11.980 7.871) 14.807 7.866 ( -4.540 -0.678 13.035) 13.820 8.313 ( 0.303 18.710 29.133) 34.625 8.608 ( -1.828 -4.437 27.229) 27.649 8.993 ( 0.836 17.452 29.875) 34.609 9.345 ( 0.778 -13.286 29.412) 32.283 10.073 ( 9.024 8.882 -6.828) 14.385 10.393 ( 2.459 -15.155 -1.042) 15.389 10.659 ( 5.576 -0.805 -12.443) 13.659 10.865 ( -10.000 -3.178 -5.109) 11.670 11.776 ( 3.420 27.489 4.009) 27.990 12.123 ( -6.782 15.657 9.494) 19.527 12.496 ( -0.062 -0.280 8.218) 8.223 12.792 ( -4.756 -14.704 6.606) 16.807 13.364 ( 0.180 -0.694 22.316) 22.327 13.481 ( -6.962 -8.492 20.977) 23.678 14.374 ( 19.418 8.367 4.478) 21.613 14.687 ( -6.095 13.086 -3.745) 14.914 15.138 ( 5.579 -6.269 -5.151) 9.847 15.254 ( -5.019 -8.368 -5.441) 11.172 16.232 ( 4.834 -1.636 -7.198) 8.824 16.438 ( -4.352 -9.306 -7.657) 12.813 16.820 ( -3.772 10.471 -1.874) 11.286 16.989 ( -6.203 1.078 -1.711) 6.525 17.887 ( 8.581 -6.000 -10.709) 14.977 18.005 ( 2.571 -10.839 -8.992) 14.316 18.694 ( 1.314 2.875 -16.642) 16.940 18.931 ( -12.678 -4.902 -18.711) 23.127 19.650 ( 10.117 6.409 -22.203) 25.227 19.895 ( 7.203 -12.785 -25.010) 28.997 20.322 ( -7.485 4.497 -11.496) 14.437 20.556 ( -13.373 -12.493 -7.815) 19.899 21.621 ( 11.801 2.472 -1.322) 12.129 21.713 ( 2.925 0.109 -0.766) 3.026 22.478 ( -0.171 -0.930 -5.193) 5.278 22.541 ( -4.556 -1.532 -0.963) 4.902 23.177 ( 1.830 1.750 -5.367) 5.934 23.318 ( -5.129 -3.896 0.402) 6.454 23.973 ( 14.052 3.256 0.247) 14.426 24.313 ( -12.237 -4.114 11.288) 17.149 25.147 ( 9.452 1.222 -4.930) 10.730 25.398 ( -15.686 0.627 1.821) 15.803 25.980 ( 5.879 3.015 -14.947) 16.342 26.091 ( 1.823 -5.375 -10.202) 11.674 27.283 ( 14.736 -1.939 -14.406) 20.699 27.561 ( -15.102 -0.285 -15.736) 21.812 29.236 ( 8.084 1.339 0.972) 8.252 29.440 ( -11.406 -0.578 -1.760) 11.555 30.425 ( 3.429 2.266 1.657) 4.432 30.470 ( -1.676 2.316 4.340) 5.197 31.311 ( 3.557 2.707 27.531) 27.891 31.361 ( -1.470 -1.176 31.932) 31.988 31.859 ( 4.132 -0.694 18.913) 19.372 31.947 ( -4.417 -0.137 9.887) 10.830 33.242 ( -2.019 5.220 17.311) 18.193 33.296 ( -1.937 0.706 9.785) 10.000 33.779 ( 5.946 7.738 -15.307) 18.153 33.915 ( -2.235 2.896 -13.197) 13.695 34.684 ( 4.979 -1.158 12.233) 13.258 34.835 ( -5.057 -7.108 6.810) 11.067 35.945 ( 5.707 3.709 4.687) 8.264 36.136 ( -5.148 -6.183 -0.226) 8.049 ======================= Grid point 220 (73/126) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 0.000 0.000 3.248) 3.248 1.865 ( 0.000 0.000 0.043) 0.043 2.674 ( 0.000 0.000 8.444) 8.444 3.197 ( 0.000 0.000 -11.903) 11.903 3.347 ( 0.000 0.000 13.543) 13.543 3.684 ( 0.000 0.000 5.789) 5.789 4.934 ( 0.000 0.000 17.146) 17.146 5.149 ( 0.000 0.000 45.352) 45.352 6.190 ( 0.000 0.000 -22.683) 22.683 6.610 ( 0.000 0.000 35.821) 35.821 6.613 ( 0.000 0.000 1.096) 1.096 6.635 ( 0.000 0.000 2.469) 2.469 7.702 ( 0.000 0.000 11.582) 11.582 7.729 ( 0.000 0.000 -18.923) 18.923 7.901 ( 0.000 0.000 8.728) 8.728 8.214 ( 0.000 0.000 9.782) 9.782 8.229 ( 0.000 0.000 26.314) 26.314 9.772 ( 0.000 0.000 -7.649) 7.649 10.859 ( 0.000 0.000 13.655) 13.655 10.921 ( 0.000 0.000 18.436) 18.436 11.067 ( 0.000 0.000 29.154) 29.154 11.971 ( 0.000 0.000 0.169) 0.169 12.801 ( 0.000 0.000 -0.443) 0.443 12.917 ( 0.000 0.000 7.811) 7.811 13.680 ( 0.000 0.000 -3.119) 3.119 13.740 ( 0.000 0.000 4.815) 4.815 14.111 ( 0.000 0.000 5.381) 5.381 14.342 ( 0.000 0.000 -8.106) 8.106 15.394 ( 0.000 0.000 -5.455) 5.455 15.905 ( 0.000 0.000 -17.617) 17.617 16.417 ( 0.000 0.000 -36.850) 36.850 16.728 ( 0.000 0.000 -0.439) 0.439 17.236 ( 0.000 0.000 -17.353) 17.353 17.942 ( 0.000 0.000 -1.877) 1.877 18.225 ( 0.000 0.000 2.602) 2.602 18.533 ( 0.000 0.000 -6.322) 6.322 18.806 ( 0.000 0.000 23.131) 23.131 19.000 ( 0.000 0.000 2.522) 2.522 19.818 ( 0.000 0.000 5.742) 5.742 20.160 ( 0.000 0.000 -21.751) 21.751 20.424 ( 0.000 0.000 -1.748) 1.748 20.678 ( 0.000 0.000 -8.436) 8.436 21.397 ( 0.000 0.000 -27.133) 27.133 21.445 ( 0.000 0.000 -32.182) 32.182 22.230 ( 0.000 0.000 -2.208) 2.208 22.770 ( 0.000 0.000 -4.539) 4.539 23.261 ( 0.000 0.000 -26.724) 26.724 23.417 ( 0.000 0.000 -21.782) 21.782 24.338 ( 0.000 0.000 9.930) 9.930 24.849 ( 0.000 0.000 -6.044) 6.044 24.913 ( 0.000 0.000 -1.849) 1.849 24.923 ( 0.000 0.000 -1.039) 1.039 26.985 ( 0.000 0.000 7.229) 7.229 27.266 ( 0.000 0.000 -1.633) 1.633 27.858 ( 0.000 0.000 14.317) 14.317 28.391 ( 0.000 0.000 5.131) 5.131 29.166 ( 0.000 0.000 7.038) 7.038 29.814 ( 0.000 0.000 -8.493) 8.493 29.848 ( 0.000 0.000 18.667) 18.667 30.154 ( 0.000 0.000 2.056) 2.056 30.194 ( 0.000 0.000 11.979) 11.979 30.468 ( 0.000 0.000 0.515) 0.515 30.731 ( 0.000 0.000 2.311) 2.311 31.446 ( 0.000 0.000 -6.523) 6.523 32.814 ( 0.000 0.000 17.448) 17.448 33.210 ( 0.000 0.000 10.450) 10.450 33.829 ( 0.000 0.000 28.729) 28.729 34.092 ( 0.000 0.000 27.690) 27.690 34.880 ( 0.000 0.000 13.178) 13.178 35.165 ( 0.000 0.000 0.187) 0.187 36.151 ( 0.000 0.000 -11.053) 11.053 36.848 ( 0.000 0.000 -36.325) 36.325 ======================= Grid point 221 (74/126) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 0.222 0.000 3.029) 3.037 1.852 ( -1.266 0.000 0.698) 1.446 2.680 ( 1.110 0.000 7.729) 7.809 3.064 ( -10.279 0.000 -3.158) 10.754 3.447 ( 6.817 0.000 5.175) 8.559 3.670 ( -1.456 0.000 4.581) 4.807 5.021 ( 8.946 0.000 14.570) 17.097 5.223 ( 7.520 0.000 41.043) 41.726 6.016 ( -14.081 0.000 -8.511) 16.453 6.355 ( -18.163 0.000 28.088) 33.449 6.748 ( 10.357 0.000 -5.570) 11.760 6.768 ( 6.992 0.000 10.247) 12.405 7.511 ( -10.307 0.000 4.948) 11.433 7.702 ( -15.496 0.000 9.810) 18.340 8.028 ( 22.302 0.000 -13.277) 25.955 8.372 ( 10.997 0.000 8.554) 13.932 8.376 ( 12.863 0.000 25.854) 28.877 9.642 ( -16.292 0.000 -14.026) 21.498 10.588 ( -6.268 0.000 32.149) 32.754 11.034 ( -4.204 0.000 30.385) 30.675 11.323 ( 22.289 0.000 7.838) 23.627 11.912 ( -5.215 0.000 0.242) 5.221 12.659 ( -12.413 0.000 1.637) 12.521 12.727 ( -16.191 0.000 7.900) 18.015 13.830 ( 12.976 0.000 -8.432) 15.475 13.929 ( 15.995 0.000 2.016) 16.122 14.172 ( 6.434 0.000 7.895) 10.185 14.324 ( -1.631 0.000 -8.092) 8.254 15.285 ( -10.336 0.000 -5.129) 11.538 15.616 ( -22.935 0.000 -17.962) 29.132 16.626 ( 14.403 0.000 -33.902) 36.834 16.778 ( 4.462 0.000 -6.249) 7.678 17.320 ( 8.667 0.000 -12.351) 15.089 17.886 ( -5.714 0.000 1.266) 5.853 18.224 ( 0.045 0.000 1.643) 1.644 18.460 ( -7.162 0.000 -6.209) 9.478 18.902 ( 9.733 0.000 21.151) 23.283 19.061 ( 6.104 0.000 -0.072) 6.105 19.797 ( -3.136 0.000 7.038) 7.705 20.016 ( -13.081 0.000 -17.978) 22.234 20.438 ( 2.423 0.000 -4.029) 4.701 20.702 ( 0.560 0.000 -10.506) 10.521 21.407 ( 0.889 0.000 -26.457) 26.472 21.435 ( -0.726 0.000 -30.245) 30.254 22.308 ( 7.855 0.000 -3.286) 8.515 22.732 ( -3.759 0.000 -5.846) 6.951 23.304 ( 3.721 0.000 -25.600) 25.869 23.402 ( -1.319 0.000 -21.910) 21.950 24.356 ( 1.677 0.000 7.944) 8.119 24.640 ( -12.307 0.000 -3.189) 12.713 24.933 ( 1.422 0.000 0.534) 1.520 25.060 ( 5.691 0.000 -1.278) 5.833 26.841 ( -10.228 0.000 7.577) 12.729 27.142 ( -11.820 0.000 -1.370) 11.899 28.051 ( 16.881 0.000 13.646) 21.707 28.476 ( 7.215 0.000 7.018) 10.065 29.159 ( -0.986 0.000 5.964) 6.045 29.477 ( -18.829 0.000 4.887) 19.453 30.125 ( 11.908 0.000 4.569) 12.754 30.129 ( -0.795 0.000 4.038) 4.116 30.253 ( 4.420 0.000 8.064) 9.196 30.402 ( -5.253 0.000 -0.367) 5.266 30.791 ( 5.914 0.000 2.686) 6.495 31.365 ( -8.276 0.000 -5.545) 9.962 32.869 ( 5.577 0.000 17.325) 18.201 33.190 ( -2.316 0.000 12.185) 12.403 33.853 ( 2.415 0.000 28.224) 28.327 34.055 ( -3.520 0.000 27.488) 27.712 34.937 ( 5.527 0.000 12.527) 13.692 35.174 ( 0.375 0.000 1.722) 1.763 36.216 ( 7.159 0.000 -15.541) 17.111 36.789 ( -6.299 0.000 -35.414) 35.970 ======================= Grid point 222 (75/126) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 0.553 0.000 2.571) 2.630 1.827 ( -1.248 0.000 1.858) 2.238 2.735 ( 5.250 0.000 5.080) 7.305 2.874 ( -9.532 0.000 1.227) 9.611 3.557 ( 5.016 0.000 2.730) 5.711 3.630 ( -2.979 0.000 2.872) 4.138 5.227 ( 12.021 0.000 9.134) 15.098 5.355 ( 2.229 0.000 20.887) 21.005 5.819 ( -2.307 0.000 18.635) 18.777 6.005 ( -17.978 0.000 33.201) 37.756 6.897 ( 5.883 0.000 4.843) 7.620 6.907 ( 5.385 0.000 -4.074) 6.752 7.368 ( -3.767 0.000 4.658) 5.990 7.437 ( -11.191 0.000 8.591) 14.108 8.437 ( 15.181 0.000 -3.161) 15.507 8.518 ( 3.422 0.000 9.123) 9.744 8.665 ( 22.435 0.000 10.072) 24.592 9.189 ( -29.847 0.000 -11.048) 31.826 10.659 ( 10.987 0.000 34.556) 36.260 10.888 ( -11.599 0.000 31.979) 34.018 11.671 ( 14.302 0.000 7.102) 15.968 11.827 ( -4.262 0.000 4.723) 6.362 12.448 ( -7.941 0.000 1.648) 8.111 12.460 ( -9.769 0.000 4.387) 10.709 14.051 ( 9.531 0.000 -12.027) 15.345 14.145 ( 1.937 0.000 -5.713) 6.033 14.318 ( 7.287 0.000 7.420) 10.400 14.331 ( 4.346 0.000 -3.058) 5.313 15.105 ( -5.406 0.000 -5.948) 8.038 15.219 ( -17.193 0.000 -12.948) 21.523 16.820 ( 5.926 0.000 -29.877) 30.459 16.848 ( 2.141 0.000 -19.607) 19.724 17.525 ( 12.479 0.000 -0.751) 12.502 17.740 ( -10.107 0.000 5.434) 11.475 18.240 ( 2.141 0.000 -2.224) 3.087 18.319 ( -6.674 0.000 -6.274) 9.160 19.110 ( 10.452 0.000 13.987) 17.460 19.177 ( 3.992 0.000 0.268) 4.001 19.708 ( -3.984 0.000 5.404) 6.714 19.772 ( -10.912 0.000 -9.406) 14.406 20.530 ( 6.955 0.000 -8.413) 10.915 20.655 ( -5.528 0.000 -11.056) 12.361 21.422 ( 0.569 0.000 -25.857) 25.863 21.428 ( -0.172 0.000 -27.137) 27.138 22.482 ( 9.839 0.000 -5.188) 11.122 22.637 ( -6.697 0.000 -6.499) 9.333 23.360 ( 1.828 0.000 -24.185) 24.254 23.380 ( -0.921 0.000 -22.738) 22.757 24.389 ( 2.043 0.000 3.585) 4.126 24.460 ( -6.577 0.000 -0.090) 6.577 24.989 ( 4.707 0.000 3.616) 5.935 25.077 ( -3.318 0.000 3.059) 4.513 26.756 ( 2.328 0.000 4.027) 4.652 26.904 ( -12.190 0.000 0.160) 12.191 28.370 ( 15.962 0.000 14.427) 21.516 28.554 ( -1.839 0.000 12.512) 12.646 29.133 ( -1.023 0.000 3.069) 3.235 29.193 ( -9.841 0.000 2.495) 10.152 30.142 ( 2.371 0.000 3.542) 4.262 30.203 ( -2.787 0.000 4.182) 5.025 30.329 ( 3.277 0.000 4.641) 5.681 30.356 ( 0.150 0.000 0.427) 0.452 30.946 ( 10.937 0.000 0.811) 10.967 31.169 ( -12.264 0.000 -2.853) 12.592 32.996 ( 7.405 0.000 16.706) 18.274 33.119 ( -5.499 0.000 15.009) 15.985 33.909 ( 3.512 0.000 27.594) 27.816 33.981 ( -4.179 0.000 27.349) 27.666 35.055 ( 6.489 0.000 10.164) 12.058 35.150 ( -3.395 0.000 6.014) 6.907 36.401 ( 12.106 0.000 -24.928) 27.712 36.625 ( -11.207 0.000 -32.050) 33.953 ======================= Grid point 225 (76/126) ======================= q-point: ( 0.00 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.000 -0.815 5.442) 5.502 2.020 ( 0.000 10.063 -2.135) 10.287 2.685 ( 0.000 1.056 7.326) 7.402 3.169 ( 0.000 -2.511 -10.971) 11.255 3.318 ( 0.000 -2.783 12.363) 12.673 3.639 ( 0.000 -3.901 4.817) 6.199 5.010 ( 0.000 7.141 16.271) 17.769 5.336 ( 0.000 15.310 36.835) 39.890 6.032 ( 0.000 -4.678 -9.755) 10.819 6.486 ( 0.000 -7.652 3.373) 8.363 6.772 ( 0.000 9.021 3.687) 9.745 7.089 ( 0.000 32.817 22.082) 39.554 7.418 ( 0.000 -11.770 -5.331) 12.922 7.700 ( 0.000 5.598 15.328) 16.319 8.241 ( 0.000 15.260 12.290) 19.593 8.469 ( 0.000 20.484 10.522) 23.028 8.543 ( 0.000 29.942 8.900) 31.237 9.795 ( 0.000 2.224 -7.077) 7.418 10.708 ( 0.000 -10.972 24.227) 26.596 11.016 ( 0.000 9.278 17.248) 19.585 11.157 ( 0.000 4.074 18.423) 18.868 11.936 ( 0.000 -1.981 2.470) 3.166 12.797 ( 0.000 -0.487 -0.697) 0.850 12.841 ( 0.000 -4.546 -1.799) 4.889 13.455 ( 0.000 -20.425 5.674) 21.199 13.736 ( 0.000 1.389 -0.487) 1.472 14.270 ( 0.000 8.295 5.629) 10.025 14.450 ( 0.000 11.543 -1.136) 11.599 15.367 ( 0.000 -2.053 -5.945) 6.290 15.969 ( 0.000 5.578 -16.514) 17.430 16.228 ( 0.000 -14.123 -23.813) 27.686 16.821 ( 0.000 4.041 -6.550) 7.696 17.114 ( 0.000 -12.148 -17.233) 21.084 17.753 ( 0.000 -11.071 -5.849) 12.521 18.034 ( 0.000 -15.807 7.571) 17.527 18.481 ( 0.000 -6.205 -11.907) 13.427 18.992 ( 0.000 -1.211 1.248) 1.739 19.069 ( 0.000 19.699 16.780) 25.877 19.709 ( 0.000 -10.268 5.136) 11.481 20.005 ( 0.000 -10.846 -19.393) 22.219 20.615 ( 0.000 -6.185 -10.818) 12.462 20.628 ( 0.000 14.302 -6.557) 15.733 21.395 ( 0.000 -0.665 -23.408) 23.418 21.454 ( 0.000 0.610 -28.591) 28.598 22.265 ( 0.000 3.854 -1.690) 4.208 22.736 ( 0.000 -3.230 -5.067) 6.009 23.292 ( 0.000 2.800 -24.361) 24.521 23.326 ( 0.000 -7.633 -19.332) 20.785 24.393 ( 0.000 5.146 8.103) 9.599 24.705 ( 0.000 -12.887 1.647) 12.992 24.883 ( 0.000 3.258 -4.954) 5.930 25.037 ( 0.000 3.700 -4.814) 6.071 26.858 ( 0.000 -12.290 9.912) 15.789 27.272 ( 0.000 1.347 -5.107) 5.281 27.493 ( 0.000 -28.920 14.767) 32.472 28.236 ( 0.000 -15.883 0.239) 15.884 29.234 ( 0.000 1.949 4.524) 4.926 29.653 ( 0.000 -6.423 -4.217) 7.684 29.829 ( 0.000 0.463 14.589) 14.596 30.216 ( 0.000 6.451 6.395) 9.084 30.413 ( 0.000 18.031 10.983) 21.113 30.819 ( 0.000 27.092 4.312) 27.433 30.951 ( 0.000 16.429 -0.405) 16.434 31.588 ( 0.000 14.166 -5.746) 15.287 32.824 ( 0.000 0.633 14.918) 14.932 33.193 ( 0.000 -0.906 10.886) 10.924 33.714 ( 0.000 -9.230 26.444) 28.009 34.160 ( 0.000 4.352 28.902) 29.228 34.874 ( 0.000 -0.385 11.699) 11.706 35.249 ( 0.000 7.552 1.752) 7.753 35.938 ( 0.000 -17.834 -11.725) 21.343 36.848 ( 0.000 -1.793 -32.474) 32.524 ======================= Grid point 226 (77/126) ======================= q-point: ( 0.20 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 0.657 -0.296 5.150) 5.200 2.009 ( -1.086 10.003 -1.654) 10.197 2.695 ( 1.383 1.363 6.604) 6.883 3.056 ( -8.982 -0.814 -3.510) 9.678 3.405 ( 6.161 -3.901 5.380) 9.062 3.626 ( -1.440 -3.890 3.860) 5.667 5.057 ( 5.096 4.952 15.645) 17.183 5.416 ( 7.157 13.694 27.257) 31.332 5.914 ( -8.856 -1.364 2.796) 9.387 6.482 ( -7.490 0.516 12.395) 14.491 6.723 ( 0.689 7.969 4.123) 8.999 7.104 ( 1.288 23.081 9.332) 24.929 7.392 ( -2.384 -6.483 3.381) 7.691 7.687 ( -1.774 8.316 11.144) 14.018 8.354 ( 10.557 20.057 3.795) 22.981 8.488 ( 5.104 12.878 17.869) 22.609 8.661 ( 9.284 24.929 5.719) 27.209 9.658 ( -15.740 1.672 -10.361) 18.918 10.607 ( -2.240 0.779 30.178) 30.271 11.036 ( -2.253 1.684 27.942) 28.083 11.338 ( 15.185 0.611 7.135) 16.789 11.922 ( -0.604 1.087 1.346) 1.833 12.445 ( -20.681 -9.431 0.561) 22.737 12.918 ( -5.803 8.269 1.175) 10.170 13.602 ( 13.790 -20.856 5.108) 25.519 13.805 ( 7.109 -5.059 -2.725) 9.141 14.286 ( 1.213 8.232 -0.156) 8.322 14.514 ( 6.970 12.595 2.009) 14.534 15.260 ( -9.954 -1.835 -6.417) 11.984 15.652 ( -22.979 2.460 -16.301) 28.281 16.465 ( 14.788 -10.039 -17.762) 25.198 16.879 ( 4.123 4.489 -17.912) 18.921 17.179 ( 6.796 -14.859 -8.491) 18.414 17.675 ( -5.506 -11.509 -3.930) 13.350 18.121 ( 6.681 -12.913 2.879) 14.822 18.422 ( -6.336 -3.547 -9.201) 11.722 18.920 ( -1.871 -0.259 5.732) 6.036 19.211 ( 8.118 12.575 7.453) 16.721 19.594 ( -6.846 -12.512 0.395) 14.268 20.133 ( 8.693 -0.408 -14.310) 16.749 20.438 ( -10.160 3.338 -3.471) 11.243 20.699 ( 0.235 0.257 -12.278) 12.283 21.347 ( -3.005 -2.700 -24.359) 24.692 21.509 ( 3.776 3.550 -25.881) 26.395 22.315 ( 5.069 1.024 -2.120) 5.589 22.720 ( -1.852 -0.993 -5.555) 5.940 23.250 ( -1.865 -5.799 -21.979) 22.808 23.389 ( 3.692 0.006 -21.309) 21.627 24.366 ( -2.590 1.580 5.992) 6.716 24.581 ( -9.805 -8.235 -1.487) 12.890 24.917 ( 4.543 3.844 1.624) 6.169 25.138 ( 6.199 3.501 -3.770) 8.056 26.729 ( -10.692 -11.079 9.541) 18.114 27.061 ( -13.668 -7.689 -1.294) 15.736 27.747 ( 17.364 -22.086 10.619) 30.034 28.280 ( 3.442 -18.245 1.836) 18.657 29.226 ( -0.946 2.801 4.196) 5.133 29.465 ( -12.760 -0.150 3.071) 13.125 29.960 ( 6.503 -3.062 8.035) 10.781 30.222 ( 1.929 4.965 5.692) 7.796 30.452 ( 3.390 17.528 8.907) 19.951 30.779 ( -3.553 26.354 -0.503) 26.597 31.006 ( 5.278 17.755 3.637) 18.876 31.512 ( -7.594 14.363 -4.150) 16.769 32.855 ( 2.870 -1.273 14.582) 14.916 33.197 ( 0.303 0.546 11.936) 11.952 33.744 ( 3.005 -7.784 25.868) 27.181 34.126 ( -3.224 4.030 29.183) 29.636 34.921 ( 4.550 -1.046 11.145) 12.084 35.247 ( -0.557 6.086 2.623) 6.650 36.000 ( 6.469 -17.359 -15.222) 23.977 36.799 ( -4.944 -1.281 -31.777) 32.184 ======================= Grid point 227 (78/126) ======================= q-point: ( 0.40 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.480 0.644 4.635) 4.704 1.989 ( -0.784 9.817 -0.791) 9.880 2.752 ( 5.027 1.587 4.073) 6.661 2.887 ( -8.566 1.070 0.650) 8.657 3.505 ( 4.324 -4.957 3.354) 7.384 3.588 ( -2.493 -3.556 2.301) 4.915 5.181 ( 6.879 1.640 11.352) 13.375 5.465 ( -3.712 1.459 2.827) 4.889 5.896 ( 9.744 12.927 30.579) 34.599 6.208 ( -17.575 13.587 24.702) 33.222 6.812 ( 5.037 0.248 3.197) 5.971 7.095 ( -2.209 8.617 2.353) 9.202 7.371 ( 0.305 7.293 8.496) 11.201 7.639 ( -2.235 16.189 6.042) 17.424 8.572 ( 9.108 10.977 7.059) 15.915 8.592 ( 4.256 7.290 16.288) 18.345 8.871 ( 14.975 19.637 -1.749) 24.757 9.265 ( -23.811 7.683 -8.743) 26.504 10.700 ( 10.432 4.142 32.098) 34.004 10.920 ( -10.030 2.842 30.319) 32.061 11.564 ( 7.559 -5.474 5.285) 10.726 11.939 ( 1.484 4.584 2.825) 5.585 12.148 ( -9.179 -11.726 -1.217) 14.941 12.752 ( -7.742 12.486 4.422) 15.343 13.830 ( 9.326 -16.898 2.148) 19.420 13.916 ( 1.424 -15.389 -0.615) 15.467 14.339 ( 4.594 10.887 -7.242) 13.859 14.664 ( 6.893 12.322 3.682) 14.591 15.089 ( -5.305 -0.244 -9.428) 10.820 15.256 ( -17.052 2.362 -10.485) 20.156 16.685 ( 8.089 -8.102 -14.978) 18.853 16.907 ( -1.063 0.450 -27.537) 27.561 17.296 ( 3.335 -19.377 5.495) 20.415 17.636 ( 1.569 -6.356 -9.254) 11.336 18.215 ( 2.953 -9.834 -2.163) 10.493 18.281 ( -6.753 -0.797 -5.371) 8.665 18.957 ( 4.645 -5.876 4.520) 8.749 19.209 ( -6.384 -5.680 0.852) 8.588 19.630 ( 8.231 1.982 -1.739) 8.643 20.104 ( -9.229 20.482 -0.424) 22.469 20.439 ( 8.815 -8.174 -8.891) 14.952 20.632 ( -6.727 -2.619 -13.824) 15.595 21.309 ( -1.014 -4.636 -23.561) 24.034 21.562 ( 1.588 6.389 -23.846) 24.738 22.424 ( 5.248 -4.803 -3.184) 7.794 22.669 ( -3.086 2.945 -6.309) 7.615 23.239 ( 0.322 -6.963 -20.779) 21.917 23.428 ( 0.503 0.134 -21.265) 21.271 24.333 ( 0.003 -0.357 2.644) 2.668 24.426 ( -6.059 -8.077 -0.923) 10.140 25.030 ( 6.336 8.082 4.602) 11.254 25.180 ( -1.604 4.918 0.784) 5.233 26.588 ( -3.290 -14.506 6.578) 16.264 26.850 ( -7.553 -5.796 -1.330) 9.613 28.028 ( 11.268 -25.004 11.032) 29.561 28.301 ( -1.733 -21.236 5.020) 21.890 29.212 ( 0.349 4.824 3.768) 6.131 29.276 ( -6.906 4.899 3.637) 9.215 30.017 ( 0.809 -3.111 7.836) 8.470 30.278 ( 2.415 1.504 5.301) 6.016 30.521 ( 3.621 19.015 3.684) 19.704 30.705 ( -3.778 25.206 -1.386) 25.525 31.134 ( 7.952 17.536 3.043) 19.494 31.345 ( -9.324 15.671 -0.305) 18.238 32.904 ( 1.784 -5.165 14.097) 15.119 33.199 ( -0.032 3.479 13.499) 13.940 33.802 ( 2.398 -4.780 24.687) 25.259 34.065 ( -2.521 2.901 30.118) 30.362 35.009 ( 3.737 -2.579 9.961) 10.947 35.222 ( -1.674 4.576 4.517) 6.644 36.134 ( 5.925 -18.033 -21.716) 28.843 36.696 ( -4.680 0.722 -29.810) 30.184 ======================= Grid point 230 (79/126) ======================= q-point: ( 0.00 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 0.000 7.590 4.564) 8.856 2.241 ( 0.000 11.069 -4.943) 12.122 2.712 ( 0.000 1.334 4.885) 5.064 3.107 ( 0.000 -3.232 -8.898) 9.467 3.237 ( 0.000 -5.000 10.741) 11.847 3.549 ( 0.000 -4.446 2.868) 5.291 5.221 ( 0.000 13.624 14.233) 19.702 5.616 ( 0.000 9.083 14.826) 17.387 6.076 ( 0.000 7.849 -7.547) 10.889 6.329 ( 0.000 -7.263 7.872) 10.711 6.914 ( 0.000 2.645 3.448) 4.345 7.455 ( 0.000 17.859 2.525) 18.036 7.576 ( 0.000 15.598 20.319) 25.615 8.198 ( 0.000 39.395 21.522) 44.890 8.607 ( 0.000 20.994 18.112) 27.727 8.930 ( 0.000 23.643 12.622) 26.801 9.208 ( 0.000 31.414 1.610) 31.455 9.864 ( 0.000 4.629 -4.304) 6.320 10.460 ( 0.000 -12.496 28.909) 31.494 11.168 ( 0.000 -2.330 8.266) 8.588 11.289 ( 0.000 16.151 15.077) 22.095 11.948 ( 0.000 3.238 3.845) 5.026 12.740 ( 0.000 -8.128 2.389) 8.472 12.817 ( 0.000 3.093 -8.839) 9.365 13.087 ( 0.000 -9.879 2.040) 10.087 13.690 ( 0.000 -4.011 5.198) 6.565 14.334 ( 0.000 -2.935 7.668) 8.210 14.761 ( 0.000 15.478 7.958) 17.404 15.337 ( 0.000 -0.129 -5.054) 5.056 15.923 ( 0.000 -15.465 -17.523) 23.371 16.101 ( 0.000 6.751 -14.053) 15.591 16.640 ( 0.000 -20.374 9.301) 22.396 16.937 ( 0.000 -4.041 -21.285) 21.665 17.649 ( 0.000 0.971 -24.528) 24.547 17.674 ( 0.000 -17.745 11.084) 20.923 18.289 ( 0.000 -11.612 -16.810) 20.430 18.931 ( 0.000 -5.018 -3.811) 6.301 19.360 ( 0.000 -9.994 1.534) 10.111 19.503 ( 0.000 6.577 8.385) 10.656 19.758 ( 0.000 -13.242 -20.975) 24.805 20.450 ( 0.000 -8.231 -11.863) 14.439 20.887 ( 0.000 9.089 -9.277) 12.987 21.353 ( 0.000 -3.503 -16.960) 17.318 21.465 ( 0.000 0.632 -19.278) 19.288 22.393 ( 0.000 8.184 -0.126) 8.185 22.649 ( 0.000 -4.752 -6.926) 8.399 23.164 ( 0.000 -7.207 -16.335) 17.854 23.360 ( 0.000 3.406 -18.200) 18.516 24.394 ( 0.000 -16.990 6.429) 18.166 24.534 ( 0.000 8.302 4.370) 9.382 24.971 ( 0.000 4.933 -1.724) 5.226 25.077 ( 0.000 0.286 -8.172) 8.177 26.538 ( 0.000 -16.773 13.354) 21.440 26.871 ( 0.000 -29.406 12.335) 31.888 27.327 ( 0.000 3.630 -11.649) 12.202 27.798 ( 0.000 -24.813 -6.049) 25.540 29.202 ( 0.000 -3.230 3.039) 4.435 29.609 ( 0.000 0.057 -5.483) 5.483 29.921 ( 0.000 8.089 10.499) 13.254 30.372 ( 0.000 7.585 7.006) 10.326 30.845 ( 0.000 21.785 16.565) 27.368 31.290 ( 0.000 16.610 0.639) 16.623 31.395 ( 0.000 27.195 10.314) 29.085 31.983 ( 0.000 21.947 -3.996) 22.308 32.824 ( 0.000 -0.602 8.108) 8.130 33.220 ( 0.000 4.343 10.777) 11.619 33.497 ( 0.000 -11.377 21.608) 24.420 34.207 ( 0.000 -0.660 27.363) 27.371 34.871 ( 0.000 0.056 11.494) 11.494 35.439 ( 0.000 10.244 2.655) 10.582 35.548 ( 0.000 -17.807 -9.756) 20.304 36.737 ( 0.000 -8.766 -25.222) 26.702 ======================= Grid point 231 (80/126) ======================= q-point: ( 0.20 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 1.410 7.780 4.163) 8.935 2.227 ( -1.341 10.856 -4.299) 11.753 2.730 ( 2.120 1.858 4.089) 4.966 3.032 ( -6.270 -1.434 -3.720) 7.431 3.296 ( 4.403 -6.491 6.104) 9.939 3.537 ( -1.160 -4.205 2.393) 4.976 5.223 ( 1.343 10.917 12.574) 16.707 5.633 ( -2.065 7.373 2.319) 8.000 6.023 ( 0.571 8.362 10.395) 13.353 6.440 ( 7.095 -1.021 9.102) 11.586 6.913 ( 0.778 5.329 4.616) 7.093 7.298 ( -10.085 10.115 4.566) 14.996 7.679 ( 4.677 23.658 17.426) 29.753 8.172 ( -2.116 35.949 16.637) 39.668 8.673 ( 4.142 13.290 18.146) 22.870 8.921 ( 1.245 26.559 11.928) 29.141 9.250 ( 3.375 28.774 0.710) 28.980 9.721 ( -12.034 5.031 0.741) 13.065 10.571 ( 9.995 -4.190 24.495) 26.785 11.118 ( -3.742 2.992 15.773) 16.484 11.381 ( 7.170 7.095 7.474) 12.554 11.952 ( 0.321 1.582 3.275) 3.651 12.334 ( -22.285 -2.092 -3.778) 22.700 13.033 ( -3.865 0.662 -2.664) 4.741 13.209 ( 18.478 -11.410 5.808) 22.481 13.686 ( 1.020 -5.238 6.000) 8.030 14.403 ( 6.540 0.155 4.685) 8.046 14.762 ( 0.752 11.229 7.262) 13.394 15.229 ( -9.056 -0.809 -6.235) 11.024 15.669 ( -19.734 -1.504 -13.541) 23.980 16.311 ( 14.287 -4.205 -10.448) 18.192 16.720 ( 6.210 -21.333 4.262) 22.624 16.946 ( 1.147 -3.205 -20.411) 20.693 17.507 ( -5.835 -8.240 -9.521) 13.878 17.843 ( 8.686 -9.680 -6.915) 14.730 18.280 ( -1.240 -9.700 -14.606) 17.577 18.864 ( -5.406 -5.161 -3.574) 8.285 19.210 ( -12.677 -15.566 -3.054) 20.306 19.572 ( 8.017 9.779 3.738) 13.186 19.946 ( 14.678 -14.261 -15.421) 25.624 20.431 ( -2.328 -6.016 -10.906) 12.671 20.817 ( -6.889 9.958 -9.772) 15.560 21.295 ( -4.009 -2.900 -17.305) 17.998 21.555 ( 6.982 1.046 -16.781) 18.206 22.355 ( -2.701 2.463 -1.626) 4.001 22.712 ( 4.879 1.023 -4.445) 6.679 23.102 ( -3.982 -7.585 -18.279) 20.187 23.414 ( 3.060 2.128 -16.591) 17.005 24.242 ( -10.689 -14.627 5.193) 18.846 24.548 ( -1.506 7.353 0.321) 7.512 25.024 ( 6.021 4.032 3.431) 8.018 25.169 ( 7.466 0.149 -6.566) 9.944 26.426 ( -10.475 -16.449 11.588) 22.684 26.794 ( -6.804 -18.557 4.944) 20.374 27.408 ( 7.423 -8.665 -4.008) 12.093 27.827 ( 2.198 -23.703 -4.761) 24.276 29.220 ( 1.796 -2.253 2.681) 3.936 29.492 ( -9.069 2.034 -0.090) 9.295 30.004 ( 5.332 6.342 6.382) 10.459 30.343 ( -2.202 6.331 6.447) 9.300 30.886 ( 4.062 21.870 14.134) 26.354 31.251 ( -3.224 19.015 1.039) 19.314 31.461 ( 5.783 25.079 10.016) 27.617 31.910 ( -7.143 22.396 -1.501) 23.556 32.831 ( 0.585 -0.577 7.790) 7.833 33.202 ( -1.191 -0.477 10.113) 10.194 33.595 ( 9.103 -6.000 21.474) 24.083 34.160 ( -4.929 -1.407 27.507) 27.980 34.906 ( 3.469 -0.333 11.121) 11.654 35.347 ( -5.763 0.056 -1.432) 5.939 35.684 ( 10.044 -8.213 -7.191) 14.834 36.695 ( -4.299 -8.666 -25.015) 26.820 ======================= Grid point 232 (81/126) ======================= q-point: ( 0.40 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.997 8.100 3.433) 8.854 2.202 ( -0.988 10.529 -3.144) 11.033 2.794 ( 4.780 2.313 1.899) 5.639 2.909 ( -6.588 0.866 -0.543) 6.667 3.363 ( 2.323 -8.473 4.862) 10.041 3.514 ( -1.050 -3.311 1.420) 3.753 5.295 ( 6.009 8.275 7.099) 12.449 5.499 ( -9.266 4.109 -1.098) 10.195 6.150 ( 8.940 6.507 17.517) 20.715 6.464 ( -3.913 14.051 17.433) 22.730 6.967 ( 2.868 12.257 10.566) 16.435 7.173 ( -2.053 2.496 0.085) 3.233 7.709 ( -0.624 21.428 16.721) 27.187 8.124 ( -2.409 29.711 11.975) 32.124 8.760 ( 6.705 12.470 14.663) 20.383 8.910 ( -5.130 19.871 11.461) 23.506 9.346 ( 7.557 22.638 2.761) 24.025 9.519 ( -9.212 17.547 1.136) 19.851 10.780 ( 11.566 1.175 22.749) 25.547 11.014 ( -8.007 6.543 21.700) 24.038 11.521 ( 7.701 1.957 1.410) 8.070 11.853 ( -11.757 -5.977 -0.235) 13.191 12.114 ( -0.190 2.607 -4.085) 4.850 12.904 ( -6.339 -0.346 6.845) 9.335 13.496 ( 10.618 -9.089 2.765) 14.248 13.711 ( -0.052 -5.826 9.834) 11.431 14.537 ( 6.497 6.388 -0.948) 9.160 14.792 ( 1.203 0.326 7.594) 7.696 15.112 ( -0.101 1.841 -8.251) 8.454 15.298 ( -18.082 2.334 -9.977) 20.783 16.543 ( 9.876 -4.936 -4.471) 11.912 16.746 ( -3.765 -16.532 -3.374) 17.288 16.996 ( 3.032 -6.786 -16.804) 18.375 17.466 ( 0.679 -11.932 -12.553) 17.332 17.962 ( 3.993 -10.244 -11.583) 15.970 18.228 ( -3.817 -4.671 -9.063) 10.887 18.825 ( 2.662 -8.500 -4.113) 9.811 18.986 ( -10.392 -14.142 -3.895) 17.977 19.719 ( 5.688 3.026 -3.578) 7.370 20.205 ( 12.148 -12.448 -11.883) 21.065 20.359 ( -5.339 -3.984 -8.954) 11.161 20.674 ( -6.673 11.931 -12.095) 18.253 21.242 ( -1.436 -1.372 -14.484) 14.620 21.661 ( 3.463 2.847 -15.174) 15.822 22.327 ( -0.314 -3.685 -2.330) 4.371 22.760 ( 0.053 5.868 -5.318) 7.919 23.088 ( 2.053 -7.915 -16.865) 18.742 23.415 ( -2.267 -0.286 -14.182) 14.365 24.107 ( -3.200 -15.631 3.662) 16.370 24.499 ( -2.313 10.339 -4.337) 11.449 25.150 ( 5.577 -1.107 5.526) 7.929 25.275 ( 2.782 6.059 0.161) 6.669 26.244 ( -6.673 -17.058 7.355) 19.738 26.682 ( -3.940 -10.088 -0.974) 10.874 27.542 ( 5.323 -20.325 1.809) 21.088 27.845 ( -0.255 -21.287 -2.327) 21.415 29.264 ( 2.998 0.076 2.886) 4.162 29.348 ( -5.988 2.476 2.091) 6.808 30.060 ( 0.968 6.535 6.222) 9.075 30.319 ( -0.420 3.263 4.628) 5.678 30.973 ( 4.224 22.076 8.009) 23.861 31.184 ( -3.394 20.241 4.480) 21.007 31.589 ( 8.099 24.270 7.735) 26.730 31.753 ( -9.188 23.054 3.358) 25.044 32.840 ( 0.345 -0.407 7.016) 7.037 33.188 ( -0.377 -4.386 9.831) 10.771 33.773 ( 8.311 1.119 20.008) 21.694 34.045 ( -6.284 -4.906 28.961) 30.038 34.972 ( 2.705 -0.948 11.089) 11.453 35.262 ( -2.919 -2.209 -3.117) 4.808 35.846 ( 5.865 -6.975 -8.491) 12.456 36.610 ( -3.553 -8.409 -24.693) 26.326 ======================= Grid point 235 (82/126) ======================= q-point: ( 0.00 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 0.000 11.051 0.298) 11.055 2.449 ( 0.000 8.635 -7.823) 11.652 2.734 ( 0.000 0.795 2.845) 2.954 3.046 ( 0.000 -2.649 -6.743) 7.245 3.128 ( 0.000 -4.971 10.432) 11.556 3.465 ( 0.000 -3.838 1.943) 4.302 5.556 ( 0.000 18.217 12.409) 22.041 5.683 ( 0.000 -1.154 -3.763) 3.936 6.175 ( 0.000 -8.433 3.403) 9.093 6.307 ( 0.000 13.968 -4.798) 14.769 7.016 ( 0.000 10.145 10.175) 14.368 7.922 ( 0.000 18.788 22.182) 29.069 7.980 ( 0.000 29.052 5.567) 29.581 8.894 ( 0.000 23.407 27.298) 35.959 9.046 ( 0.000 19.561 20.411) 28.270 9.445 ( 0.000 22.829 8.720) 24.437 9.661 ( 0.000 7.446 6.430) 9.838 10.039 ( 0.000 17.033 1.259) 17.080 10.304 ( 0.000 1.860 17.591) 17.689 11.108 ( 0.000 -2.695 0.156) 2.700 11.532 ( 0.000 2.088 17.043) 17.170 12.047 ( 0.000 6.551 3.249) 7.312 12.550 ( 0.000 -1.434 11.910) 11.997 12.964 ( 0.000 10.145 -6.906) 12.272 13.134 ( 0.000 10.798 -11.961) 16.114 13.657 ( 0.000 2.568 15.859) 16.065 14.151 ( 0.000 -13.729 10.864) 17.508 14.950 ( 0.000 1.742 7.978) 8.166 15.395 ( 0.000 5.093 2.066) 5.496 15.535 ( 0.000 -24.039 -11.080) 26.469 16.235 ( 0.000 6.509 -10.165) 12.070 16.327 ( 0.000 -6.521 6.640) 9.307 16.782 ( 0.000 -11.146 -14.296) 18.128 17.361 ( 0.000 -11.929 9.271) 15.108 17.753 ( 0.000 7.732 -35.825) 36.650 18.041 ( 0.000 -12.148 -18.751) 22.342 18.788 ( 0.000 -8.688 -11.349) 14.293 18.938 ( 0.000 -24.440 -1.357) 24.477 19.475 ( 0.000 -13.920 -21.608) 25.704 19.591 ( 0.000 -5.904 -13.020) 14.296 20.399 ( 0.000 5.396 -0.983) 5.485 20.963 ( 0.000 -0.877 -8.022) 8.070 21.260 ( 0.000 -5.250 -12.148) 13.234 21.477 ( 0.000 -0.217 -10.586) 10.588 22.566 ( 0.000 -3.177 -8.562) 9.132 22.567 ( 0.000 8.037 2.737) 8.490 23.043 ( 0.000 -4.862 -15.529) 16.273 23.416 ( 0.000 1.756 -10.454) 10.600 24.054 ( 0.000 -14.927 10.373) 18.177 24.716 ( 0.000 8.887 3.296) 9.478 25.041 ( 0.000 -3.898 -11.331) 11.983 25.076 ( 0.000 5.503 2.121) 5.898 26.247 ( 0.000 -10.740 14.448) 18.002 26.352 ( 0.000 -20.572 5.346) 21.255 27.287 ( 0.000 -24.132 -10.675) 26.388 27.404 ( 0.000 3.568 -17.627) 17.984 29.141 ( 0.000 -2.551 3.163) 4.064 29.612 ( 0.000 0.047 -8.055) 8.055 30.114 ( 0.000 9.667 7.818) 12.432 30.510 ( 0.000 6.112 7.216) 9.457 31.232 ( 0.000 15.234 19.550) 24.784 31.626 ( 0.000 15.656 3.342) 16.009 31.871 ( 0.000 18.038 21.683) 28.205 32.386 ( 0.000 15.198 5.069) 16.021 32.838 ( 0.000 3.235 -2.558) 4.124 33.283 ( 0.000 -7.951 9.880) 12.682 33.362 ( 0.000 8.687 8.594) 12.220 34.113 ( 0.000 -8.296 17.731) 19.576 34.874 ( 0.000 0.249 13.542) 13.544 35.275 ( 0.000 -8.532 -1.892) 8.739 35.642 ( 0.000 9.174 2.249) 9.446 36.522 ( 0.000 -11.297 -16.708) 20.169 ======================= Grid point 236 (83/126) ======================= q-point: ( 0.20 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 1.463 10.948 0.058) 11.046 2.430 ( -1.832 8.332 -6.745) 10.876 2.763 ( 2.998 1.279 1.676) 3.664 3.003 ( -3.725 -1.184 -3.638) 5.340 3.157 ( 2.099 -6.405 7.752) 10.272 3.460 ( -0.507 -3.562 1.898) 4.068 5.469 ( -3.358 11.412 6.425) 13.519 5.754 ( -0.394 5.285 -3.657) 6.438 6.152 ( 0.029 4.111 4.229) 5.897 6.441 ( 14.021 0.460 4.595) 14.762 7.052 ( 3.591 12.721 9.886) 16.507 7.668 ( -14.072 22.199 10.547) 28.321 8.191 ( 5.983 25.419 16.257) 30.761 8.773 ( -10.259 13.933 20.723) 26.997 8.986 ( -1.914 20.971 21.030) 29.761 9.500 ( 6.180 21.430 9.714) 24.327 9.717 ( -1.136 19.983 6.528) 21.053 9.912 ( -4.023 14.742 10.480) 18.529 10.509 ( 15.074 0.869 10.055) 18.140 11.090 ( -1.605 -3.804 0.990) 4.246 11.571 ( 3.026 3.217 12.225) 12.999 12.000 ( -4.503 4.352 5.397) 8.267 12.326 ( -15.636 3.988 4.678) 16.801 12.970 ( -7.288 3.365 -6.825) 10.537 13.281 ( 15.561 9.616 3.019) 18.540 13.658 ( 1.969 4.231 11.218) 12.150 14.263 ( 10.463 -12.395 9.615) 18.856 14.866 ( -7.920 -3.727 8.543) 12.231 15.248 ( -7.968 1.732 -1.125) 8.231 15.593 ( -4.976 -5.806 -8.224) 11.230 16.224 ( 6.029 -5.358 -2.507) 8.447 16.441 ( 7.918 -1.961 0.957) 8.213 16.812 ( 2.403 -10.036 -15.849) 18.913 17.273 ( -7.523 -12.134 5.176) 15.186 17.806 ( 3.891 3.382 -32.809) 33.211 18.065 ( 2.650 -10.356 -16.820) 19.929 18.721 ( -6.684 -8.288 -11.861) 15.939 18.824 ( -9.083 -20.715 -5.694) 23.325 19.554 ( 4.673 -15.175 -15.195) 21.977 19.698 ( 12.300 -7.806 -14.639) 20.653 20.331 ( -6.415 -1.221 -6.749) 9.391 20.972 ( -3.548 3.804 -8.782) 10.207 21.222 ( 1.251 -3.548 -9.220) 9.958 21.568 ( 7.356 0.256 -7.956) 10.838 22.394 ( -7.988 1.307 -5.250) 9.648 22.765 ( 10.841 2.725 1.624) 11.296 22.965 ( -6.568 -4.992 -17.533) 19.377 23.460 ( 2.362 1.935 -9.384) 9.869 23.945 ( -8.995 -12.543 7.866) 17.324 24.728 ( -0.169 8.412 -2.952) 8.916 25.007 ( 0.477 -5.264 6.267) 8.198 25.204 ( 9.298 3.908 -6.144) 11.810 26.136 ( -9.775 -10.996 9.947) 17.759 26.401 ( 3.472 -17.688 5.243) 18.773 27.263 ( -2.038 -13.411 -11.923) 18.060 27.435 ( 2.768 -7.958 -12.553) 15.118 29.172 ( 3.143 -2.142 2.536) 4.571 29.522 ( -7.947 0.812 -4.297) 9.071 30.170 ( 4.346 8.729 5.247) 11.073 30.471 ( -3.577 6.119 6.603) 9.686 31.271 ( 3.974 15.183 17.839) 23.760 31.595 ( -3.000 14.634 5.284) 15.846 31.922 ( 4.998 18.325 20.021) 27.598 32.329 ( -5.726 16.097 7.834) 18.795 32.862 ( 2.463 4.358 -3.388) 6.045 33.172 ( -6.080 -1.316 4.200) 7.506 33.524 ( 11.173 -0.961 14.021) 17.954 34.068 ( -4.683 -6.839 16.973) 18.888 34.905 ( 3.041 0.093 13.068) 13.418 35.232 ( -3.821 -6.488 -1.388) 7.657 35.718 ( 7.004 6.468 1.350) 9.629 36.481 ( -4.130 -11.149 -16.694) 20.496 ======================= Grid point 237 (84/126) ======================= q-point: ( 0.40 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 1.029 10.770 -0.412) 10.827 2.398 ( -1.189 8.093 -5.299) 9.746 2.835 ( 4.545 1.416 -0.209) 4.765 2.924 ( -4.693 0.784 -2.076) 5.191 3.186 ( 0.896 -7.961 7.324) 10.854 3.451 ( -0.310 -3.076 1.717) 3.537 5.486 ( 5.025 9.879 2.547) 11.373 5.635 ( -9.364 8.347 -2.680) 12.828 6.194 ( 2.311 1.008 7.646) 8.050 6.717 ( 11.120 3.875 10.713) 15.920 7.172 ( 10.602 14.626 7.847) 19.695 7.417 ( -13.666 18.869 8.275) 24.724 8.093 ( -10.216 15.698 20.353) 27.659 8.690 ( -0.042 21.864 16.378) 27.318 9.037 ( 5.320 13.747 16.310) 21.984 9.500 ( -6.441 35.379 10.127) 37.360 9.718 ( 5.029 16.028 12.055) 20.676 9.909 ( -0.214 16.543 9.518) 19.087 10.749 ( 8.848 -2.133 8.385) 12.375 11.058 ( -1.731 -4.517 1.459) 5.052 11.619 ( 2.858 2.268 3.916) 5.352 11.852 ( -10.084 5.639 7.328) 13.681 12.189 ( 0.591 7.922 -0.980) 8.004 12.777 ( -9.032 -4.845 7.199) 12.525 13.553 ( 11.011 10.937 4.038) 16.036 13.700 ( 0.450 5.349 9.649) 11.041 14.486 ( 12.664 -11.094 7.688) 18.508 14.699 ( -9.991 -9.930 8.169) 16.284 15.171 ( 0.374 4.392 1.453) 4.642 15.379 ( -12.466 4.904 -8.420) 15.823 16.396 ( 7.659 -8.919 -1.445) 11.845 16.563 ( 3.891 0.006 1.888) 4.325 16.846 ( 1.171 -9.752 -18.896) 21.297 17.150 ( -4.427 -16.514 2.072) 17.223 17.860 ( 1.745 -1.344 -31.751) 31.827 18.110 ( 1.171 -6.088 -13.799) 15.128 18.615 ( -1.980 -11.272 -11.177) 15.997 18.674 ( -6.634 -15.342 -10.193) 19.577 19.616 ( 1.959 -13.655 -10.690) 17.453 19.961 ( 13.539 -12.392 -16.769) 24.861 20.194 ( -8.096 -6.414 -11.390) 15.375 20.834 ( -6.877 -0.609 -14.347) 15.922 21.310 ( 4.435 8.440 -1.466) 9.646 21.683 ( 3.839 -0.065 -5.354) 6.589 22.290 ( -2.870 -0.210 -6.408) 7.025 22.838 ( -3.563 -4.969 -13.552) 14.867 22.965 ( 7.063 2.030 0.241) 7.353 23.427 ( -4.884 0.976 -6.504) 8.192 23.840 ( -1.604 -8.861 2.676) 9.395 24.698 ( -1.801 5.444 -9.371) 10.986 25.048 ( 2.329 -4.427 11.548) 12.584 25.364 ( 6.439 2.296 1.083) 6.921 25.954 ( -7.541 -10.820 3.268) 13.587 26.450 ( 1.446 -12.433 1.558) 12.613 27.235 ( -0.685 -10.062 -10.399) 14.486 27.477 ( 1.235 -14.015 -7.705) 16.041 29.247 ( 4.661 -1.023 2.076) 5.204 29.378 ( -6.736 0.530 -1.332) 6.887 30.230 ( 1.754 8.963 4.610) 10.231 30.411 ( -2.129 5.260 4.672) 7.350 31.358 ( 4.407 15.198 12.851) 20.385 31.528 ( -3.668 13.395 10.268) 17.272 32.037 ( 6.962 18.140 16.154) 25.268 32.199 ( -7.600 17.682 13.200) 23.338 32.914 ( 2.421 7.827 -5.458) 9.845 33.086 ( -3.071 -3.288 2.201) 5.008 33.722 ( 9.228 -8.705 19.160) 22.978 33.954 ( -6.840 -1.161 13.653) 15.314 34.967 ( 2.786 0.243 13.145) 13.439 35.163 ( -2.856 -5.312 -1.891) 6.321 35.844 ( 4.925 4.021 0.761) 6.403 36.398 ( -3.562 -11.074 -17.067) 20.655 ======================= Grid point 240 (85/126) ======================= q-point: ( 0.00 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 0.000 9.559 -3.500) 10.179 2.562 ( 0.000 1.842 -9.831) 10.002 2.744 ( 0.000 0.253 1.884) 1.901 3.002 ( 0.000 -1.664 -5.086) 5.351 3.070 ( 0.000 0.032 10.482) 10.482 3.383 ( 0.000 -4.406 2.623) 5.128 5.636 ( 0.000 -2.256 -8.269) 8.571 5.908 ( 0.000 14.767 11.892) 18.960 5.988 ( 0.000 -9.154 -6.279) 11.100 6.622 ( 0.000 15.743 -2.778) 15.986 7.316 ( 0.000 17.309 14.796) 22.771 8.314 ( 0.000 18.644 21.892) 28.755 8.550 ( 0.000 25.527 5.060) 26.024 9.243 ( 0.000 13.733 27.886) 31.084 9.288 ( 0.000 1.288 29.178) 29.207 9.599 ( 0.000 -3.838 12.089) 12.683 9.602 ( 0.000 -4.718 -1.722) 5.023 10.434 ( 0.000 3.394 3.762) 5.067 10.550 ( 0.000 17.400 4.367) 17.940 11.098 ( 0.000 2.644 -0.785) 2.758 11.444 ( 0.000 2.357 18.814) 18.961 12.242 ( 0.000 12.785 5.550) 13.938 12.770 ( 0.000 18.111 18.924) 26.194 13.142 ( 0.000 4.895 -1.420) 5.097 13.353 ( 0.000 2.717 -20.492) 20.671 13.847 ( 0.000 16.307 21.071) 26.644 13.896 ( 0.000 -5.388 10.120) 11.465 14.883 ( 0.000 -6.926 8.858) 11.244 15.008 ( 0.000 -23.802 -3.299) 24.030 15.430 ( 0.000 -3.352 7.190) 7.933 16.273 ( 0.000 -7.497 -2.261) 7.831 16.401 ( 0.000 10.562 -6.296) 12.296 16.602 ( 0.000 1.668 -7.647) 7.826 17.201 ( 0.000 -4.196 1.900) 4.606 17.801 ( 0.000 -11.418 -12.354) 16.822 17.853 ( 0.000 -4.039 -29.109) 29.388 18.491 ( 0.000 -12.833 -13.502) 18.628 18.600 ( 0.000 -8.710 -21.869) 23.539 19.216 ( 0.000 -10.746 -20.719) 23.340 19.319 ( 0.000 -17.714 -27.301) 32.544 20.596 ( 0.000 11.143 2.674) 11.459 20.916 ( 0.000 -2.275 -3.589) 4.249 21.149 ( 0.000 -5.548 -8.498) 10.149 21.427 ( 0.000 -4.682 -5.297) 7.069 22.513 ( 0.000 -2.124 -7.727) 8.014 22.705 ( 0.000 5.341 6.835) 8.674 22.960 ( 0.000 -3.243 -15.350) 15.689 23.423 ( 0.000 -0.992 -3.922) 4.045 23.823 ( 0.000 -7.331 9.571) 12.056 24.862 ( 0.000 4.664 11.244) 12.173 24.933 ( 0.000 -5.947 -14.875) 16.020 25.224 ( 0.000 9.768 -0.545) 9.783 26.025 ( 0.000 -12.409 -3.738) 12.960 26.103 ( 0.000 -3.814 13.822) 14.339 26.845 ( 0.000 -18.228 -14.111) 23.052 27.466 ( 0.000 2.384 -21.153) 21.287 29.099 ( 0.000 -1.561 3.163) 3.527 29.611 ( 0.000 -0.096 -10.012) 10.012 30.284 ( 0.000 6.543 7.000) 9.582 30.629 ( 0.000 5.420 8.211) 9.839 31.462 ( 0.000 7.618 19.545) 20.978 31.902 ( 0.000 10.826 4.906) 11.886 32.109 ( 0.000 6.041 33.794) 34.329 32.520 ( 0.000 -2.110 23.726) 23.820 32.973 ( 0.000 8.910 -13.839) 16.460 33.258 ( 0.000 6.074 -10.436) 12.075 33.536 ( 0.000 7.474 7.468) 10.566 33.907 ( 0.000 -10.771 4.970) 11.862 34.879 ( 0.000 0.213 16.291) 16.293 35.173 ( 0.000 -2.427 8.012) 8.372 35.800 ( 0.000 6.042 1.569) 6.242 36.313 ( 0.000 -8.477 -9.466) 12.707 ======================= Grid point 241 (86/126) ======================= q-point: ( 0.20 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 1.092 9.309 -3.631) 10.052 2.542 ( -1.781 2.224 -8.521) 8.985 2.777 ( 3.171 0.008 0.402) 3.196 2.981 ( -2.104 -1.271 -4.768) 5.364 3.078 ( 0.687 -0.232 10.478) 10.503 3.380 ( -0.222 -4.393 2.814) 5.222 5.622 ( 0.202 4.054 -4.276) 5.896 5.872 ( -2.023 4.402 -2.741) 5.566 6.150 ( 10.988 -2.697 5.252) 12.474 6.563 ( -2.554 11.488 0.374) 11.774 7.398 ( 7.448 18.128 13.564) 23.835 8.122 ( -14.329 20.986 12.350) 28.253 8.669 ( -2.075 20.203 17.541) 26.835 8.918 ( -11.957 4.256 15.480) 20.018 9.330 ( 0.936 10.002 31.121) 32.702 9.652 ( 9.049 2.451 5.946) 11.102 9.875 ( 15.142 -3.469 11.398) 19.268 10.375 ( -4.653 14.084 4.812) 15.594 10.636 ( 6.917 7.703 2.433) 10.635 11.022 ( -6.859 -1.185 -2.133) 7.280 11.486 ( 2.834 0.339 14.433) 14.713 12.172 ( -6.403 12.618 9.673) 17.140 12.572 ( -11.892 15.812 11.066) 22.670 13.119 ( -15.888 4.290 -12.384) 20.596 13.451 ( 18.574 6.773 9.351) 21.870 13.900 ( 6.066 13.424 6.660) 16.167 14.021 ( 9.659 -3.000 13.623) 16.967 14.657 ( -13.214 -12.779 7.651) 19.911 15.187 ( 5.698 -8.386 -1.213) 10.211 15.447 ( 2.392 -8.140 5.213) 9.958 16.219 ( -2.274 1.088 -0.171) 2.526 16.441 ( 4.227 -3.132 -6.448) 8.322 16.665 ( 4.060 3.535 -7.224) 9.009 17.092 ( -10.179 -5.042 2.926) 11.730 17.789 ( -0.163 -8.786 -17.828) 19.876 17.907 ( 4.683 -6.884 -24.307) 25.693 18.447 ( -4.112 -11.949 -13.187) 18.264 18.567 ( -4.484 -4.943 -25.564) 26.421 19.219 ( 2.600 -15.212 -19.444) 24.824 19.444 ( 10.622 -15.864 -25.799) 32.095 20.371 ( -15.189 3.877 -1.156) 15.719 20.941 ( -12.700 -6.141 -8.109) 16.272 21.206 ( 16.906 2.128 -1.608) 17.115 21.554 ( 9.340 -1.744 -4.194) 10.385 22.413 ( -7.618 0.480 -7.450) 10.666 22.736 ( -2.212 -4.699 0.104) 5.194 22.957 ( 3.620 3.165 -7.863) 9.217 23.477 ( 2.918 -0.443 -1.986) 3.557 23.771 ( -3.506 -4.403 5.262) 7.704 24.768 ( -10.909 -5.868 -7.543) 14.503 24.964 ( 7.644 3.315 11.222) 13.977 25.327 ( 6.878 8.491 -6.532) 12.730 25.968 ( -9.731 -6.100 6.239) 13.070 26.097 ( 4.277 -12.511 1.177) 13.274 26.936 ( 8.082 -13.902 -12.728) 20.509 27.410 ( -5.569 0.903 -18.787) 19.616 29.137 ( 3.921 -1.237 2.073) 4.605 29.530 ( -7.613 0.123 -6.977) 10.327 30.326 ( 3.692 6.089 4.991) 8.696 30.591 ( -3.760 5.387 7.225) 9.766 31.504 ( 4.206 7.875 18.676) 20.700 31.836 ( -5.389 8.848 9.684) 14.181 32.176 ( 5.595 6.924 29.479) 30.794 32.486 ( -3.470 -0.693 24.002) 24.262 33.004 ( 2.959 8.545 -13.315) 16.095 33.241 ( -1.721 8.595 -11.847) 14.738 33.534 ( -0.235 1.447 9.404) 9.517 33.917 ( 0.858 -7.508 4.391) 8.740 34.906 ( 2.839 0.039 15.678) 15.933 35.146 ( -2.717 -2.259 8.228) 8.955 35.844 ( 4.360 5.094 1.176) 6.808 36.277 ( -3.621 -8.073 -9.275) 12.818 ======================= Grid point 242 (87/126) ======================= q-point: ( 0.40 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 0.786 8.900 -3.915) 9.755 2.513 ( -1.053 2.740 -7.205) 7.781 2.846 ( 3.798 -0.299 -1.128) 3.973 2.929 ( -3.262 -0.952 -4.495) 5.634 3.089 ( 0.374 -0.282 10.731) 10.742 3.376 ( -0.144 -4.403 3.076) 5.373 5.678 ( 5.690 8.603 -2.433) 10.597 5.801 ( -6.037 6.913 -4.297) 10.134 6.236 ( -0.298 2.630 6.449) 6.971 6.654 ( 8.581 -5.743 2.882) 10.720 7.558 ( 9.768 18.209 14.311) 25.135 7.835 ( -15.682 20.746 9.295) 27.618 8.414 ( -11.119 16.680 20.039) 28.345 8.940 ( 2.781 4.356 8.546) 9.987 9.365 ( 1.942 16.697 36.427) 40.119 9.876 ( 13.477 7.588 4.960) 16.242 10.041 ( 1.309 1.431 12.918) 13.063 10.275 ( -5.340 19.505 8.775) 22.044 10.761 ( 5.991 0.959 -2.433) 6.536 10.893 ( -6.224 -8.782 -6.876) 12.772 11.509 ( 0.006 -3.419 8.936) 9.568 12.064 ( -4.003 14.915 17.923) 23.659 12.457 ( -0.820 13.292 0.689) 13.335 12.833 ( -11.104 6.595 1.521) 13.004 13.760 ( 12.451 5.934 12.348) 18.513 13.958 ( -1.447 17.096 5.913) 18.148 14.236 ( 12.682 -8.195 8.368) 17.263 14.446 ( -10.164 -9.880 6.033) 15.405 15.220 ( 0.993 -1.185 6.266) 6.454 15.419 ( -5.243 -2.857 -1.695) 6.207 16.324 ( 12.616 -1.942 0.527) 12.776 16.498 ( -0.216 -9.115 -5.480) 10.638 16.644 ( -7.154 -4.953 -5.602) 10.348 16.945 ( -2.908 -0.524 3.157) 4.325 17.805 ( 1.377 -6.113 -22.252) 23.118 17.986 ( 2.727 -7.375 -19.293) 20.834 18.376 ( -2.207 -9.337 -13.092) 16.231 18.459 ( -5.248 -4.694 -30.004) 30.819 19.287 ( 3.003 -15.288 -17.589) 23.497 19.637 ( 7.670 -18.139 -27.414) 33.755 20.158 ( -6.499 1.743 -2.101) 7.049 20.705 ( -9.226 -9.857 -8.407) 15.905 21.489 ( 10.693 7.104 -0.640) 12.854 21.681 ( 3.039 0.081 -1.985) 3.631 22.301 ( -3.368 0.975 -8.844) 9.514 22.636 ( -5.018 -10.591 -9.687) 15.205 23.086 ( 7.101 6.104 6.392) 11.338 23.429 ( -6.059 -1.136 1.485) 6.341 23.783 ( 3.127 3.084 -4.111) 6.016 24.590 ( -6.353 -12.055 -4.366) 14.309 25.127 ( 7.547 8.291 9.477) 14.680 25.403 ( 0.981 2.776 0.431) 2.976 25.787 ( -6.943 -5.825 -1.333) 9.161 26.184 ( 3.372 -13.273 -0.420) 13.701 27.084 ( 6.715 -5.525 -14.047) 16.521 27.291 ( -6.066 -4.529 -13.034) 15.073 29.232 ( 5.995 -0.432 0.372) 6.022 29.379 ( -7.802 -0.223 -3.356) 8.496 30.393 ( 3.008 6.476 3.940) 8.156 30.514 ( -3.626 4.479 4.881) 7.552 31.597 ( 5.082 8.498 15.902) 18.732 31.736 ( -4.994 7.275 14.040) 16.583 32.284 ( 5.617 5.787 26.276) 27.485 32.403 ( -5.056 2.495 25.155) 25.779 33.060 ( 2.400 6.229 -10.773) 12.674 33.205 ( -1.678 13.722 -15.262) 20.592 33.530 ( -0.134 -6.971 12.002) 13.880 33.931 ( 0.487 -2.955 3.662) 4.731 34.973 ( 3.718 0.129 15.104) 15.555 35.083 ( -3.578 -2.476 8.144) 9.233 35.934 ( 4.123 3.895 0.959) 5.752 36.199 ( -3.713 -7.637 -9.379) 12.652 ======================= Grid point 245 (88/126) ======================= q-point: ( 0.00 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 0.000 5.624 -5.764) 8.053 2.539 ( 0.000 -2.834 -8.407) 8.872 2.747 ( 0.000 0.039 1.614) 1.615 2.979 ( 0.000 -0.570 -4.197) 4.236 3.119 ( 0.000 3.344 8.143) 8.803 3.291 ( 0.000 -3.909 3.783) 5.440 5.611 ( 0.000 -0.257 -6.662) 6.667 5.839 ( 0.000 -4.431 -12.618) 13.373 6.121 ( 0.000 5.485 12.357) 13.520 6.877 ( 0.000 7.319 -2.320) 7.678 7.622 ( 0.000 9.685 15.645) 18.400 8.653 ( 0.000 12.808 19.500) 23.330 8.956 ( 0.000 10.593 15.441) 18.726 9.209 ( 0.000 -1.694 12.824) 12.936 9.309 ( 0.000 -8.439 16.924) 18.911 9.533 ( 0.000 -3.999 -6.813) 7.900 9.634 ( 0.000 9.976 27.520) 29.273 10.410 ( 0.000 -2.552 2.959) 3.907 10.475 ( 0.000 -12.012 17.392) 21.137 11.172 ( 0.000 2.635 2.992) 3.987 11.828 ( 0.000 21.272 7.957) 22.711 12.518 ( 0.000 10.857 6.297) 12.550 13.012 ( 0.000 -5.489 6.973) 8.874 13.140 ( 0.000 -3.240 4.922) 5.893 13.287 ( 0.000 7.849 3.557) 8.617 13.861 ( 0.000 -6.356 3.771) 7.390 14.267 ( 0.000 22.337 18.793) 29.190 14.667 ( 0.000 -15.079 14.290) 20.775 14.742 ( 0.000 -1.056 -10.684) 10.736 15.312 ( 0.000 -4.997 4.974) 7.050 16.002 ( 0.000 -11.603 -0.285) 11.606 16.633 ( 0.000 9.226 -4.475) 10.254 16.896 ( 0.000 21.513 -6.590) 22.500 17.152 ( 0.000 -1.228 -9.818) 9.894 17.475 ( 0.000 -25.655 -10.555) 27.741 17.585 ( 0.000 -7.911 3.765) 8.761 18.474 ( 0.000 -3.016 -31.234) 31.379 18.556 ( 0.000 12.964 -30.919) 33.527 18.940 ( 0.000 -17.857 -35.101) 39.382 19.058 ( 0.000 -4.244 -19.945) 20.391 20.793 ( 0.000 6.900 -0.533) 6.921 20.896 ( 0.000 0.087 -1.144) 1.148 21.040 ( 0.000 -4.515 -5.082) 6.798 21.323 ( 0.000 -3.835 -1.419) 4.089 22.480 ( 0.000 -0.978 -6.518) 6.591 22.782 ( 0.000 2.042 10.540) 10.736 22.913 ( 0.000 -1.200 -14.829) 14.877 23.394 ( 0.000 -1.214 -0.805) 1.457 23.741 ( 0.000 -1.475 6.924) 7.079 24.834 ( 0.000 -2.879 -17.973) 18.202 24.912 ( 0.000 0.839 18.988) 19.007 25.459 ( 0.000 11.337 -4.131) 12.066 25.799 ( 0.000 -9.901 -9.670) 13.840 26.063 ( 0.000 -0.711 13.226) 13.245 26.579 ( 0.000 -6.982 -16.511) 17.927 27.499 ( 0.000 0.829 -22.439) 22.454 29.077 ( 0.000 -0.535 3.112) 3.158 29.610 ( 0.000 -0.047 -11.096) 11.096 30.375 ( 0.000 2.239 7.275) 7.611 30.715 ( 0.000 2.448 8.693) 9.031 31.559 ( 0.000 2.173 18.656) 18.782 32.061 ( 0.000 4.528 4.739) 6.555 32.171 ( 0.000 1.035 37.698) 37.713 32.418 ( 0.000 -4.598 29.018) 29.380 33.127 ( 0.000 4.606 -18.062) 18.640 33.445 ( 0.000 9.738 -17.252) 19.810 33.643 ( 0.000 2.705 8.084) 8.524 33.696 ( 0.000 -9.418 -0.941) 9.465 34.882 ( 0.000 0.089 18.177) 18.177 35.146 ( 0.000 -0.516 13.637) 13.647 35.884 ( 0.000 2.077 1.134) 2.367 36.193 ( 0.000 -3.007 -5.607) 6.363 ======================= Grid point 246 (89/126) ======================= q-point: ( 0.20 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 0.735 5.578 -5.812) 8.089 2.528 ( -1.055 -2.620 -8.022) 8.504 2.773 ( 2.646 -0.172 0.839) 2.781 2.959 ( -2.071 -0.588 -3.741) 4.316 3.130 ( 1.137 3.774 7.963) 8.885 3.285 ( -0.591 -4.315 4.152) 6.018 5.691 ( 7.637 2.977 -6.853) 10.684 5.856 ( 1.849 -3.768 -10.224) 11.052 6.151 ( 3.492 1.628 11.923) 12.530 6.782 ( -9.528 6.977 -1.519) 11.907 7.684 ( 6.295 7.901 14.555) 17.718 8.485 ( -15.864 12.563 15.692) 25.607 8.917 ( -9.983 3.906 25.203) 27.388 8.995 ( -6.975 0.703 8.696) 11.170 9.457 ( 11.459 7.760 14.780) 20.248 9.658 ( 14.583 -6.815 2.850) 16.347 9.850 ( 13.554 5.658 19.332) 24.279 10.406 ( -0.173 -2.625 2.214) 3.439 10.501 ( 2.406 -13.730 17.545) 22.408 11.056 ( -12.491 1.784 0.043) 12.617 11.836 ( 0.551 22.226 5.675) 22.946 12.420 ( -8.582 6.228 5.595) 11.989 12.818 ( -13.770 7.702 9.202) 18.265 13.004 ( -8.109 -10.815 -2.122) 13.683 13.588 ( 17.264 7.495 10.828) 21.713 13.844 ( 3.348 -8.652 15.427) 18.002 14.349 ( 4.141 16.674 14.288) 22.345 14.570 ( -3.968 4.914 -5.739) 8.534 14.943 ( 14.038 -13.092 2.587) 19.369 15.286 ( -2.078 -5.935 6.264) 8.875 16.049 ( 4.450 -9.916 -0.853) 10.902 16.506 ( -10.979 5.013 -4.457) 12.866 16.915 ( -1.616 15.590 -4.462) 16.296 17.056 ( -6.952 0.298 -2.025) 7.247 17.528 ( 5.079 -15.181 -8.625) 18.184 17.655 ( 7.302 -10.630 -9.394) 15.955 18.351 ( -6.422 -1.349 -28.240) 28.993 18.622 ( -3.809 9.302 -33.676) 35.144 18.955 ( 6.774 -11.067 -25.014) 28.179 19.145 ( 7.192 -10.000 -28.685) 31.218 20.462 ( -17.559 4.137 -0.050) 18.039 20.795 ( -18.077 -6.061 -3.394) 19.366 21.259 ( 20.611 1.965 -1.765) 20.780 21.512 ( 12.907 -1.646 -2.333) 13.219 22.415 ( -5.826 -0.111 -7.165) 9.235 22.657 ( -10.252 -2.148 -2.346) 10.734 23.016 ( 8.216 1.815 -1.090) 8.485 23.456 ( 2.924 -0.954 2.532) 3.984 23.736 ( 2.522 -0.114 2.375) 3.466 24.649 ( -15.234 -3.693 -9.046) 18.098 25.021 ( 9.187 1.413 12.378) 15.479 25.545 ( 6.032 11.813 -7.032) 15.013 25.829 ( 0.734 -10.635 -7.300) 12.921 25.903 ( -10.464 -3.380 7.981) 13.587 26.745 ( 13.948 -4.564 -13.128) 19.691 27.427 ( -7.410 0.510 -20.197) 21.519 29.121 ( 4.409 -0.399 1.690) 4.739 29.531 ( -7.559 -0.004 -8.249) 11.188 30.410 ( 3.338 2.071 5.288) 6.588 30.674 ( -4.110 2.348 7.457) 8.833 31.606 ( 4.726 2.335 18.180) 18.929 31.960 ( -7.105 3.257 13.338) 15.459 32.252 ( 5.098 1.558 29.991) 30.461 32.407 ( -1.104 -3.942 28.967) 29.255 33.158 ( 2.885 4.904 -17.173) 18.091 33.416 ( -3.080 5.183 -16.599) 17.660 33.593 ( -2.241 5.365 6.290) 8.566 33.760 ( 3.779 -7.808 -0.342) 8.681 34.906 ( 2.528 -0.030 17.680) 17.859 35.121 ( -2.701 -0.539 13.886) 14.156 35.914 ( 3.172 1.760 0.574) 3.673 36.166 ( -2.845 -2.727 -5.099) 6.444 ======================= Grid point 247 (90/126) ======================= q-point: ( 0.40 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 0.669 5.815 -6.015) 8.393 2.508 ( -0.829 -2.694 -7.418) 7.936 2.835 ( 3.848 -0.386 -0.735) 3.937 2.906 ( -3.519 -0.626 -2.533) 4.381 3.151 ( 0.809 4.894 7.541) 9.026 3.273 ( -0.498 -5.399 4.841) 7.268 5.829 ( 5.815 5.755 -5.421) 9.815 5.886 ( 0.120 0.796 -5.886) 5.941 6.266 ( 8.736 0.155 7.392) 11.445 6.568 ( -11.932 -2.046 0.800) 12.132 7.844 ( 10.873 8.697 14.776) 20.302 8.153 ( -17.346 7.750 14.360) 23.815 8.745 ( -4.867 14.257 16.619) 22.431 8.943 ( -1.319 -4.257 13.456) 14.175 9.660 ( 7.353 12.926 21.316) 25.991 9.912 ( 7.916 -9.769 15.764) 20.164 10.080 ( 12.598 11.939 13.036) 21.707 10.418 ( 2.232 -1.381 -2.545) 3.656 10.546 ( 2.354 -17.039 16.192) 23.623 10.742 ( -18.964 -4.099 -7.477) 20.793 11.839 ( -0.170 26.801 1.787) 26.861 12.287 ( -4.301 -3.727 5.127) 7.660 12.640 ( -4.868 10.521 7.359) 13.732 12.865 ( -4.955 -5.536 2.357) 7.794 13.803 ( 7.002 2.414 22.149) 23.355 13.947 ( 2.505 -9.944 22.825) 25.023 14.417 ( 5.348 13.630 1.128) 14.685 14.523 ( -2.766 12.085 -12.451) 17.570 15.137 ( 5.326 -4.932 6.127) 9.499 15.264 ( -0.295 -9.488 8.863) 12.987 16.149 ( 6.324 -8.567 -1.912) 10.819 16.307 ( -9.338 -6.885 -4.743) 12.534 16.802 ( -6.019 14.780 -0.163) 15.959 16.998 ( -0.862 -0.623 2.077) 2.333 17.649 ( 6.156 -4.936 -12.756) 14.999 17.776 ( 3.442 -10.569 -15.557) 19.120 18.295 ( 1.729 -0.354 -24.935) 24.997 18.450 ( -10.946 1.396 -30.251) 32.201 19.102 ( 5.363 -0.623 -27.371) 27.898 19.281 ( 5.606 -14.964 -32.844) 36.525 20.245 ( -4.955 6.050 1.238) 7.917 20.488 ( -12.234 -9.778 -1.540) 15.737 21.581 ( 12.901 2.094 -1.959) 13.216 21.685 ( 3.597 0.143 -1.806) 4.027 22.327 ( -1.952 1.403 -8.743) 9.067 22.465 ( -8.666 -5.263 -7.566) 12.651 23.183 ( 9.111 2.993 6.030) 11.328 23.391 ( -7.788 -1.841 6.447) 10.276 23.910 ( 12.700 6.748 -5.260) 15.313 24.350 ( -14.861 -9.136 -5.885) 18.411 25.237 ( 13.713 2.027 11.203) 17.823 25.504 ( -12.490 5.038 5.407) 14.513 25.737 ( -0.212 2.413 -7.827) 8.194 25.920 ( 2.645 -11.961 -6.197) 13.728 27.008 ( 13.742 -1.829 -13.138) 19.100 27.248 ( -11.488 -0.652 -15.745) 19.501 29.227 ( 6.930 -0.080 -0.933) 6.993 29.374 ( -8.579 -0.149 -4.133) 9.524 30.483 ( 4.404 2.217 3.738) 6.187 30.581 ( -5.374 1.816 4.948) 7.527 31.713 ( 6.325 2.853 16.937) 18.303 31.836 ( -6.364 2.556 15.628) 17.066 32.327 ( 3.057 0.316 29.118) 29.280 32.379 ( -1.855 -2.351 29.044) 29.198 33.211 ( 2.221 6.620 -14.188) 15.813 33.353 ( -2.710 -1.731 -14.507) 14.860 33.576 ( -0.078 11.760 2.381) 11.999 33.808 ( 1.281 -8.997 -0.666) 9.112 34.970 ( 4.202 -0.194 16.502) 17.030 35.054 ( -4.281 -0.615 14.642) 15.267 35.989 ( 4.388 1.461 -0.638) 4.669 36.097 ( -4.197 -2.476 -3.981) 6.292 ======================= Grid point 275 (91/126) ======================= q-point: ( 0.00 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.000 0.000 1.422) 1.422 1.866 ( 0.000 0.000 0.007) 0.007 2.792 ( 0.000 0.000 4.441) 4.441 3.001 ( 0.000 0.000 -7.972) 7.972 3.568 ( 0.000 0.000 8.950) 8.950 3.739 ( 0.000 0.000 0.225) 0.225 5.210 ( 0.000 0.000 11.728) 11.728 5.766 ( 0.000 0.000 -19.351) 19.351 5.974 ( 0.000 0.000 37.573) 37.573 6.662 ( 0.000 0.000 0.188) 0.188 6.675 ( 0.000 0.000 4.331) 4.331 7.276 ( 0.000 0.000 -25.253) 25.253 7.287 ( 0.000 0.000 32.129) 32.129 8.077 ( 0.000 0.000 25.628) 25.628 8.107 ( 0.000 0.000 12.330) 12.330 8.187 ( 0.000 0.000 -10.625) 10.625 8.494 ( 0.000 0.000 0.999) 0.999 9.320 ( 0.000 0.000 -31.675) 31.675 11.084 ( 0.000 0.000 9.978) 9.978 11.389 ( 0.000 0.000 -0.210) 0.210 11.587 ( 0.000 0.000 39.221) 39.221 12.321 ( 0.000 0.000 34.268) 34.268 12.667 ( 0.000 0.000 -13.520) 13.520 13.046 ( 0.000 0.000 3.006) 3.006 13.697 ( 0.000 0.000 4.711) 4.711 13.955 ( 0.000 0.000 17.095) 17.095 14.128 ( 0.000 0.000 -13.223) 13.223 14.325 ( 0.000 0.000 13.421) 13.421 15.327 ( 0.000 0.000 -1.447) 1.447 15.567 ( 0.000 0.000 -15.236) 15.236 15.713 ( 0.000 0.000 -30.529) 30.529 16.168 ( 0.000 0.000 -38.422) 38.422 17.385 ( 0.000 0.000 16.406) 16.406 17.863 ( 0.000 0.000 -6.514) 6.514 18.192 ( 0.000 0.000 -5.062) 5.062 18.276 ( 0.000 0.000 -13.459) 13.459 19.218 ( 0.000 0.000 14.696) 14.696 19.307 ( 0.000 0.000 26.196) 26.196 19.773 ( 0.000 0.000 -16.416) 16.416 19.888 ( 0.000 0.000 0.445) 0.445 20.427 ( 0.000 0.000 2.329) 2.329 20.537 ( 0.000 0.000 -5.074) 5.074 20.881 ( 0.000 0.000 -24.210) 24.210 20.890 ( 0.000 0.000 -23.253) 23.253 22.259 ( 0.000 0.000 5.221) 5.221 22.746 ( 0.000 0.000 2.098) 2.098 22.779 ( 0.000 0.000 -21.310) 21.310 23.065 ( 0.000 0.000 -14.158) 14.158 24.503 ( 0.000 0.000 7.085) 7.085 24.738 ( 0.000 0.000 -5.485) 5.485 24.895 ( 0.000 0.000 -0.159) 0.159 24.910 ( 0.000 0.000 -0.530) 0.530 27.102 ( 0.000 0.000 4.822) 4.822 27.231 ( 0.000 0.000 -2.101) 2.101 28.122 ( 0.000 0.000 12.120) 12.120 28.422 ( 0.000 0.000 -1.952) 1.952 29.316 ( 0.000 0.000 8.113) 8.113 29.649 ( 0.000 0.000 -8.414) 8.414 30.110 ( 0.000 0.000 7.603) 7.603 30.180 ( 0.000 0.000 0.764) 0.764 30.380 ( 0.000 0.000 6.821) 6.821 30.479 ( 0.000 0.000 0.348) 0.348 30.841 ( 0.000 0.000 9.218) 9.218 31.285 ( 0.000 0.000 -9.907) 9.907 33.128 ( 0.000 0.000 13.660) 13.660 33.352 ( 0.000 0.000 3.327) 3.327 34.387 ( 0.000 0.000 26.413) 26.413 34.573 ( 0.000 0.000 19.663) 19.663 35.069 ( 0.000 0.000 6.252) 6.252 35.163 ( 0.000 0.000 -0.378) 0.378 35.920 ( 0.000 0.000 -11.158) 11.158 36.198 ( 0.000 0.000 -28.588) 28.588 ======================= Grid point 276 (92/126) ======================= q-point: ( 0.20 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -0.017 0.000 1.358) 1.358 1.861 ( -0.452 0.000 0.260) 0.521 2.787 ( -0.257 0.000 3.894) 3.902 2.955 ( -4.555 0.000 -5.809) 7.381 3.586 ( 1.782 0.000 6.895) 7.122 3.717 ( -2.111 0.000 0.423) 2.152 5.258 ( 4.829 0.000 9.954) 11.063 5.642 ( -8.457 0.000 -6.133) 10.447 6.132 ( 11.533 0.000 28.201) 30.468 6.644 ( -2.877 0.000 4.654) 5.471 6.719 ( 5.012 0.000 1.611) 5.264 7.051 ( -8.729 0.000 5.760) 10.458 7.527 ( 5.974 0.000 3.509) 6.929 7.861 ( -16.346 0.000 5.526) 17.255 7.987 ( 1.710 0.000 10.750) 10.885 8.372 ( 10.283 0.000 -6.185) 12.000 8.674 ( 12.403 0.000 6.183) 13.859 9.227 ( -10.502 0.000 -24.571) 26.721 11.124 ( 5.536 0.000 15.843) 16.782 11.394 ( 0.669 0.000 2.082) 2.187 11.683 ( 8.805 0.000 29.401) 30.691 12.226 ( -9.034 0.000 28.322) 29.728 12.628 ( -4.506 0.000 -3.662) 5.807 12.891 ( -14.228 0.000 6.534) 15.657 13.714 ( 2.737 0.000 -2.416) 3.651 13.997 ( -0.066 0.000 -4.366) 4.366 14.184 ( 8.644 0.000 3.599) 9.363 14.415 ( 7.930 0.000 13.464) 15.626 15.244 ( -7.804 0.000 1.247) 7.903 15.307 ( -16.453 0.000 -10.095) 19.303 15.941 ( 13.239 0.000 -32.888) 35.452 16.196 ( 2.042 0.000 -38.423) 38.477 17.464 ( 8.369 0.000 14.229) 16.508 17.852 ( -0.839 0.000 -4.743) 4.817 18.179 ( -1.444 0.000 -5.111) 5.311 18.252 ( -3.222 0.000 -11.075) 11.534 19.201 ( -0.839 0.000 11.259) 11.290 19.336 ( 1.872 0.000 20.160) 20.247 19.717 ( -4.088 0.000 -10.541) 11.306 19.887 ( -0.942 0.000 1.000) 1.373 20.408 ( -1.005 0.000 1.435) 1.752 20.531 ( -1.159 0.000 -5.895) 6.008 20.908 ( 1.899 0.000 -22.057) 22.138 20.913 ( 2.768 0.000 -22.539) 22.709 22.309 ( 4.939 0.000 3.297) 5.938 22.625 ( -6.584 0.000 -7.101) 9.683 22.907 ( 7.006 0.000 -11.747) 13.678 23.056 ( -0.861 0.000 -13.404) 13.431 24.474 ( -2.681 0.000 4.355) 5.114 24.588 ( -9.746 0.000 -2.317) 10.017 24.959 ( 4.827 0.000 1.708) 5.121 25.030 ( 8.075 0.000 -1.748) 8.262 26.971 ( -10.671 0.000 5.517) 12.013 27.111 ( -11.098 0.000 -1.969) 11.272 28.293 ( 15.751 0.000 10.756) 19.073 28.539 ( 10.771 0.000 -0.513) 10.783 29.281 ( -3.893 0.000 6.336) 7.437 29.485 ( -14.483 0.000 -2.764) 14.744 30.175 ( -0.107 0.000 1.488) 1.492 30.200 ( 6.377 0.000 1.536) 6.559 30.396 ( 1.391 0.000 5.530) 5.702 30.431 ( -3.916 0.000 2.737) 4.778 30.879 ( 3.711 0.000 6.705) 7.664 31.228 ( -5.661 0.000 -8.321) 10.064 33.178 ( 4.961 0.000 13.241) 14.140 33.364 ( 0.801 0.000 4.807) 4.873 34.402 ( 1.473 0.000 26.020) 26.062 34.542 ( -2.874 0.000 20.640) 20.840 35.107 ( 3.536 0.000 4.872) 6.020 35.178 ( 1.392 0.000 -1.147) 1.803 35.931 ( 1.333 0.000 -12.638) 12.708 36.161 ( -3.850 0.000 -27.298) 27.568 ======================= Grid point 277 (93/126) ======================= q-point: ( 0.40 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.138 0.000 1.166) 1.174 1.852 ( -0.465 0.000 0.780) 0.908 2.798 ( 1.837 0.000 1.850) 2.607 2.861 ( -4.852 0.000 -1.718) 5.147 3.627 ( 2.473 0.000 3.519) 4.301 3.673 ( -2.520 0.000 1.323) 2.846 5.370 ( 6.863 0.000 5.460) 8.770 5.500 ( -7.226 0.000 -0.198) 7.228 6.336 ( 10.685 0.000 26.866) 28.913 6.526 ( -9.420 0.000 18.236) 20.525 6.849 ( 8.036 0.000 -1.660) 8.206 6.959 ( -3.438 0.000 0.108) 3.440 7.490 ( -2.289 0.000 8.377) 8.684 7.584 ( -11.953 0.000 6.178) 13.456 8.254 ( 20.211 0.000 -7.065) 21.410 8.489 ( -0.954 0.000 -9.735) 9.782 8.834 ( 5.055 0.000 2.911) 5.833 8.973 ( -13.410 0.000 -9.331) 16.337 11.282 ( 9.685 0.000 22.574) 24.563 11.396 ( -1.902 0.000 14.086) 14.214 11.857 ( 9.497 0.000 12.221) 15.478 12.038 ( -10.410 0.000 12.919) 16.592 12.546 ( -1.918 0.000 10.991) 11.157 12.631 ( -11.261 0.000 12.108) 16.535 13.805 ( 6.595 0.000 -11.899) 13.605 13.928 ( -6.033 0.000 -14.979) 16.149 14.401 ( 12.055 0.000 8.671) 14.850 14.525 ( 0.910 0.000 9.909) 9.951 15.069 ( -6.884 0.000 1.753) 7.104 15.092 ( -7.123 0.000 5.833) 9.207 16.131 ( 7.110 0.000 -36.893) 37.572 16.207 ( -1.400 0.000 -38.174) 38.200 17.663 ( 11.684 0.000 8.994) 14.745 17.820 ( -4.120 0.000 1.415) 4.356 18.146 ( -1.554 0.000 -6.072) 6.268 18.166 ( -4.387 0.000 -7.540) 8.724 19.223 ( 3.570 0.000 4.433) 5.692 19.312 ( -4.671 0.000 4.752) 6.663 19.715 ( 4.510 0.000 3.606) 5.774 19.825 ( -5.691 0.000 3.914) 6.907 20.422 ( 2.618 0.000 -1.379) 2.959 20.486 ( -3.540 0.000 -4.902) 6.047 20.946 ( 1.647 0.000 -20.460) 20.526 20.953 ( 1.056 0.000 -20.559) 20.586 22.415 ( 5.939 0.000 -1.517) 6.130 22.517 ( -5.362 0.000 -5.699) 7.825 23.004 ( 3.347 0.000 -11.266) 11.753 23.039 ( -1.003 0.000 -11.801) 11.843 24.429 ( -1.397 0.000 1.008) 1.723 24.452 ( -4.380 0.000 -0.521) 4.411 25.062 ( 5.392 0.000 3.197) 6.268 25.115 ( 0.597 0.000 0.706) 0.925 26.833 ( -2.214 0.000 3.509) 4.149 26.906 ( -9.148 0.000 -0.260) 9.152 28.603 ( 15.489 0.000 9.111) 17.970 28.720 ( 5.202 0.000 4.220) 6.698 29.185 ( -5.261 0.000 2.143) 5.681 29.217 ( -11.330 0.000 0.405) 11.337 30.192 ( 2.119 0.000 1.779) 2.767 30.242 ( -2.144 0.000 -0.281) 2.163 30.403 ( 1.187 0.000 3.691) 3.877 30.416 ( 0.387 0.000 3.564) 3.585 30.969 ( 6.139 0.000 1.755) 6.385 31.100 ( -7.630 0.000 -3.998) 8.614 33.282 ( 5.504 0.000 11.528) 12.775 33.356 ( -2.170 0.000 8.278) 8.557 34.437 ( 2.264 0.000 24.809) 24.912 34.485 ( -2.993 0.000 22.774) 22.970 35.172 ( 2.858 0.000 1.692) 3.321 35.197 ( 0.175 0.000 -1.080) 1.094 35.978 ( 3.915 0.000 -17.296) 17.734 36.070 ( -5.547 0.000 -23.274) 23.926 ======================= Grid point 280 (94/126) ======================= q-point: ( 0.00 0.09 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 0.000 1.328 4.222) 4.426 1.969 ( 0.000 7.075 -2.945) 7.664 2.791 ( 0.000 -0.080 4.125) 4.125 2.988 ( 0.000 -1.206 -7.423) 7.520 3.524 ( 0.000 -4.067 8.380) 9.314 3.685 ( 0.000 -4.819 0.081) 4.820 5.271 ( 0.000 5.949 11.087) 12.582 5.759 ( 0.000 1.518 -15.062) 15.139 5.973 ( 0.000 -1.767 27.195) 27.252 6.561 ( 0.000 -6.472 0.671) 6.507 6.842 ( 0.000 11.436 5.038) 12.497 7.223 ( 0.000 0.568 -12.274) 12.287 7.599 ( 0.000 25.296 26.831) 36.875 8.072 ( 0.000 8.754 19.130) 21.038 8.363 ( 0.000 20.223 7.362) 21.521 8.512 ( 0.000 23.233 -1.884) 23.309 8.687 ( 0.000 19.042 -0.370) 19.046 9.382 ( 0.000 6.249 -29.230) 29.891 11.062 ( 0.000 -2.678 12.935) 13.210 11.374 ( 0.000 -2.215 0.104) 2.217 11.625 ( 0.000 3.855 35.914) 36.121 12.248 ( 0.000 -6.285 26.137) 26.882 12.644 ( 0.000 -2.343 -14.329) 14.520 12.811 ( 0.000 -15.079 -2.386) 15.266 13.753 ( 0.000 -14.770 23.570) 27.816 13.817 ( 0.000 7.877 10.261) 12.936 14.392 ( 0.000 22.189 -6.376) 23.087 14.438 ( 0.000 6.045 7.870) 9.924 15.283 ( 0.000 -3.055 -1.520) 3.412 15.643 ( 0.000 6.332 -15.984) 17.193 15.653 ( 0.000 -4.966 -25.995) 26.465 16.227 ( 0.000 4.987 -38.367) 38.690 17.239 ( 0.000 -13.816 14.638) 20.128 17.666 ( 0.000 -16.383 -5.490) 17.278 18.076 ( 0.000 -10.795 -2.806) 11.154 18.188 ( 0.000 -8.386 -13.748) 16.103 19.129 ( 0.000 -8.061 10.760) 13.445 19.427 ( 0.000 8.212 17.918) 19.710 19.648 ( 0.000 -10.673 -15.900) 19.150 19.782 ( 0.000 -9.686 1.401) 9.787 20.459 ( 0.000 -6.004 -3.132) 6.772 20.563 ( 0.000 10.911 0.293) 10.915 20.941 ( 0.000 4.354 -22.175) 22.598 20.960 ( 0.000 6.205 -20.573) 21.489 22.308 ( 0.000 4.938 5.900) 7.694 22.705 ( 0.000 -3.959 1.843) 4.367 22.836 ( 0.000 5.326 -20.770) 21.442 23.007 ( 0.000 -5.179 -13.169) 14.151 24.542 ( 0.000 3.666 6.971) 7.876 24.765 ( 0.000 -8.809 4.038) 9.691 24.784 ( 0.000 4.393 -5.384) 6.949 24.945 ( 0.000 0.011 -4.621) 4.621 27.014 ( 0.000 -8.895 6.230) 10.860 27.189 ( 0.000 -3.085 -3.702) 4.819 27.779 ( 0.000 -28.238 13.840) 31.447 28.183 ( 0.000 -21.650 -5.535) 22.346 29.327 ( 0.000 -0.990 5.060) 5.156 29.549 ( 0.000 -4.789 -5.780) 7.506 30.056 ( 0.000 -0.839 8.986) 9.025 30.276 ( 0.000 6.244 -0.842) 6.300 30.628 ( 0.000 22.652 10.108) 24.805 30.858 ( 0.000 28.901 -0.667) 28.909 31.024 ( 0.000 15.379 8.011) 17.340 31.437 ( 0.000 14.604 -9.441) 17.390 33.104 ( 0.000 -2.398 12.799) 13.022 33.334 ( 0.000 -1.187 2.920) 3.152 34.239 ( 0.000 -11.401 25.788) 28.196 34.636 ( 0.000 2.389 16.525) 16.697 35.063 ( 0.000 0.512 7.849) 7.865 35.255 ( 0.000 7.450 -1.422) 7.584 35.718 ( 0.000 -14.804 -7.535) 16.611 36.257 ( 0.000 2.211 -27.253) 27.342 ======================= Grid point 281 (95/126) ======================= q-point: ( 0.20 0.09 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.276 1.601 4.070) 4.383 1.965 ( -0.416 7.082 -2.695) 7.588 2.789 ( -0.015 0.165 3.563) 3.567 2.948 ( -3.915 -0.622 -5.571) 6.838 3.542 ( 1.776 -4.056 6.615) 7.960 3.666 ( -1.816 -4.521 0.356) 4.885 5.289 ( 1.950 3.494 9.028) 9.875 5.598 ( -9.818 -2.177 -5.228) 11.334 6.186 ( 15.014 3.155 21.516) 26.425 6.645 ( 6.523 -3.593 3.744) 8.335 6.802 ( -3.009 11.317 4.720) 12.626 7.144 ( -5.764 3.731 -7.851) 10.430 7.637 ( 1.235 18.337 21.466) 28.259 7.956 ( -10.294 12.879 14.618) 22.034 8.336 ( 2.681 27.296 0.205) 27.428 8.632 ( 7.907 20.991 -2.802) 22.606 8.764 ( 6.580 9.917 3.143) 12.309 9.298 ( -9.460 7.466 -22.567) 25.583 11.095 ( 4.805 -3.066 15.883) 16.874 11.383 ( 0.997 -1.807 1.503) 2.553 11.702 ( 6.436 1.495 28.926) 29.671 12.175 ( -7.392 -4.195 20.823) 22.491 12.448 ( -13.496 -13.335 0.192) 18.974 12.879 ( 1.251 -0.570 -5.148) 5.328 13.784 ( 1.769 0.616 6.298) 6.570 13.885 ( 7.466 -7.457 17.742) 20.643 14.297 ( -3.658 14.524 -1.114) 15.019 14.567 ( 7.824 9.863 1.949) 12.740 15.194 ( -7.796 -2.445 2.230) 8.469 15.373 ( -14.893 3.743 -10.009) 18.330 15.915 ( 13.392 -1.097 -30.245) 33.095 16.248 ( 1.527 4.307 -37.693) 37.969 17.306 ( 6.774 -14.970 12.261) 20.501 17.632 ( -2.699 -17.142 -3.204) 17.646 18.098 ( 1.284 -9.684 -4.686) 10.835 18.181 ( -0.998 -6.736 -11.832) 13.652 19.074 ( -3.864 -9.430 9.981) 14.264 19.383 ( -7.448 -4.030 3.070) 9.007 19.602 ( 2.484 -1.475 4.466) 5.319 19.925 ( 9.205 -3.601 -7.372) 12.331 20.408 ( -4.782 -1.559 0.294) 5.038 20.521 ( -3.928 2.202 -4.617) 6.449 20.915 ( -0.066 3.711 -17.580) 17.967 21.056 ( 6.207 9.382 -19.815) 22.786 22.332 ( 2.434 2.284 3.890) 5.126 22.631 ( -5.637 0.397 -5.257) 7.719 22.893 ( 3.941 -1.918 -11.858) 12.642 23.040 ( 3.049 -0.375 -13.623) 13.965 24.471 ( -5.959 0.103 4.450) 7.438 24.565 ( -10.386 -3.503 -0.732) 10.985 24.953 ( 8.896 2.195 1.884) 9.355 25.061 ( 8.829 1.173 -3.780) 9.675 26.884 ( -11.471 -8.718 6.211) 15.690 27.029 ( -12.746 -7.083 -1.932) 14.709 27.962 ( 15.008 -26.394 10.646) 32.175 28.264 ( 6.940 -23.638 -3.469) 24.879 29.307 ( -2.022 0.419 4.137) 4.624 29.456 ( -8.410 -1.071 -2.631) 8.876 30.112 ( 4.488 -2.086 6.901) 8.493 30.287 ( 1.353 4.579 -0.054) 4.775 30.619 ( -0.938 21.944 7.796) 23.307 30.780 ( -5.730 27.257 0.353) 27.854 31.094 ( 5.219 18.309 5.574) 19.837 31.396 ( -4.089 15.507 -7.437) 17.677 33.134 ( 2.750 -3.912 12.861) 13.722 33.356 ( 1.928 -0.927 3.571) 4.162 34.255 ( 1.540 -10.258 25.006) 27.072 34.621 ( -1.488 2.609 18.153) 18.400 35.091 ( 2.896 -0.078 6.345) 6.975 35.251 ( -0.631 5.224 -1.770) 5.552 35.743 ( 2.610 -12.709 -8.683) 15.612 36.222 ( -3.534 2.083 -26.572) 26.887 ======================= Grid point 282 (96/126) ======================= q-point: ( 0.40 0.09 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 0.201 2.089 3.787) 4.329 1.957 ( -0.303 7.078 -2.237) 7.430 2.802 ( 1.767 0.480 1.573) 2.414 2.867 ( -4.232 0.435 -1.927) 4.670 3.581 ( 2.274 -4.229 3.627) 6.018 3.627 ( -2.220 -4.001 1.312) 4.760 5.335 ( 2.487 -0.910 5.180) 5.818 5.464 ( -4.463 -2.580 -1.903) 5.495 6.437 ( 11.684 6.940 22.734) 26.486 6.620 ( -7.751 4.009 16.129) 18.339 6.838 ( 3.581 7.107 -0.197) 7.961 7.089 ( -0.092 4.609 -4.087) 6.161 7.620 ( -1.420 16.967 15.448) 22.990 7.775 ( -7.090 18.643 7.369) 21.263 8.503 ( 12.583 21.651 -4.694) 25.478 8.739 ( 1.549 22.197 -7.335) 23.428 8.840 ( 0.698 1.564 1.935) 2.584 9.079 ( -10.275 10.903 -8.949) 17.451 11.240 ( 8.867 -3.759 17.513) 19.986 11.390 ( -1.356 -1.392 11.405) 11.569 11.790 ( 2.113 -6.124 15.689) 16.974 12.025 ( -6.408 -4.050 2.343) 7.934 12.268 ( -4.783 -10.447 18.846) 22.073 12.847 ( -2.573 8.891 3.203) 9.795 13.849 ( 5.179 1.682 -1.968) 5.790 13.944 ( -2.711 -1.674 1.329) 3.452 14.330 ( 5.714 3.786 9.371) 11.611 14.674 ( 2.677 8.580 -3.965) 9.824 15.069 ( -3.513 0.734 9.118) 9.799 15.132 ( -9.630 2.404 0.408) 9.934 16.106 ( 6.298 -0.356 -36.588) 37.128 16.258 ( -0.515 3.393 -35.420) 35.586 17.441 ( 5.552 -19.934 7.757) 22.099 17.599 ( -0.576 -15.992 0.165) 16.003 18.106 ( 0.258 -7.405 -6.960) 10.165 18.139 ( -3.141 -4.091 -7.438) 9.051 19.053 ( 1.912 -11.923 5.845) 13.416 19.223 ( -7.529 -10.355 -0.403) 12.809 19.684 ( 3.729 2.080 6.310) 7.619 20.043 ( 2.693 9.983 -8.095) 13.132 20.353 ( 0.798 -5.335 0.177) 5.397 20.429 ( -5.585 -5.446 -5.629) 9.619 20.926 ( 0.686 4.125 -12.915) 13.575 21.145 ( 2.798 12.224 -17.978) 21.920 22.385 ( 2.747 -2.658 -0.446) 3.848 22.535 ( -4.046 1.516 -7.082) 8.296 22.957 ( 2.593 -2.482 -7.480) 8.297 23.085 ( 1.162 2.719 -12.860) 13.196 24.384 ( -2.229 -2.323 2.090) 3.838 24.418 ( -5.079 -4.683 -0.135) 6.910 25.103 ( 6.223 5.469 2.695) 8.712 25.173 ( 2.218 3.349 -1.175) 4.185 26.708 ( -5.505 -11.549 5.245) 13.827 26.828 ( -7.127 -7.314 -1.299) 10.294 28.213 ( 9.975 -28.921 7.667) 31.539 28.359 ( 1.804 -27.292 0.659) 27.359 29.270 ( -1.078 3.979 2.318) 4.729 29.310 ( -5.764 4.706 0.454) 7.455 30.169 ( 1.331 -2.558 6.745) 7.335 30.326 ( 2.119 0.111 -0.493) 2.179 30.599 ( -0.991 22.260 4.199) 22.674 30.699 ( -2.469 28.044 0.263) 28.154 31.183 ( 4.082 18.611 2.403) 19.205 31.310 ( -4.333 17.721 -2.965) 18.482 33.181 ( 1.700 -6.755 12.932) 14.688 33.386 ( 0.971 -0.086 4.734) 4.834 34.284 ( 1.108 -8.056 23.517) 24.883 34.594 ( -1.005 2.560 20.974) 21.153 35.156 ( 3.609 -0.376 4.052) 5.439 35.224 ( -2.332 0.998 -2.171) 3.339 35.800 ( 2.647 -9.251 -11.125) 14.709 36.151 ( -3.095 1.874 -25.141) 25.400 ======================= Grid point 285 (97/126) ======================= q-point: ( 0.00 0.18 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 0.000 5.812 5.305) 7.869 2.132 ( 0.000 8.352 -5.870) 10.208 2.789 ( 0.000 -0.105 3.369) 3.371 2.958 ( 0.000 -1.540 -6.231) 6.418 3.419 ( 0.000 -5.722 7.557) 9.479 3.572 ( 0.000 -5.439 -0.429) 5.456 5.460 ( 0.000 12.750 10.708) 16.649 5.867 ( 0.000 -8.078 12.406) 14.804 5.886 ( 0.000 10.825 -10.974) 15.415 6.363 ( 0.000 -12.653 -7.127) 14.522 7.071 ( 0.000 11.120 13.552) 17.530 7.469 ( 0.000 21.816 -2.269) 21.934 8.031 ( 0.000 16.826 25.033) 30.162 8.591 ( 0.000 37.179 14.483) 39.901 8.824 ( 0.000 24.274 9.121) 25.931 9.020 ( 0.000 24.863 0.052) 24.863 9.209 ( 0.000 28.597 -4.269) 28.914 9.596 ( 0.000 15.415 -19.114) 24.555 10.934 ( 0.000 -10.568 18.010) 20.882 11.270 ( 0.000 -7.787 0.565) 7.807 11.745 ( 0.000 7.454 25.949) 26.998 12.133 ( 0.000 -3.000 13.027) 13.368 12.571 ( 0.000 -4.440 -15.299) 15.931 12.625 ( 0.000 -1.442 -10.902) 10.997 13.464 ( 0.000 -11.812 31.209) 33.370 13.993 ( 0.000 9.421 25.901) 27.561 14.471 ( 0.000 -3.638 0.928) 3.755 14.861 ( 0.000 19.779 -1.452) 19.832 15.248 ( 0.000 1.324 -0.719) 1.507 15.547 ( 0.000 -5.091 -13.349) 14.287 15.803 ( 0.000 9.394 -16.832) 19.276 16.339 ( 0.000 5.197 -35.836) 36.211 16.863 ( 0.000 -21.006 11.913) 24.149 17.311 ( 0.000 -16.314 -11.656) 20.050 17.788 ( 0.000 -16.418 -0.045) 16.418 17.955 ( 0.000 -13.623 -14.574) 19.950 18.913 ( 0.000 -12.643 3.837) 13.212 19.387 ( 0.000 -14.160 -16.598) 21.817 19.400 ( 0.000 -15.580 2.991) 15.865 19.584 ( 0.000 -8.131 -1.856) 8.341 20.389 ( 0.000 1.592 7.049) 7.227 20.779 ( 0.000 8.734 -0.906) 8.781 21.009 ( 0.000 1.813 -17.998) 18.089 21.110 ( 0.000 7.626 -15.998) 17.722 22.461 ( 0.000 9.641 6.862) 11.834 22.595 ( 0.000 -6.239 1.384) 6.391 22.884 ( 0.000 -6.234 -12.130) 13.638 22.981 ( 0.000 8.383 -18.672) 20.468 24.550 ( 0.000 -11.949 9.024) 14.973 24.647 ( 0.000 6.502 6.744) 9.368 24.907 ( 0.000 7.300 -4.968) 8.830 24.914 ( 0.000 -3.021 -8.650) 9.163 26.769 ( 0.000 -13.422 10.305) 16.921 27.127 ( 0.000 -2.814 -9.078) 9.504 27.140 ( 0.000 -31.861 14.376) 34.954 27.641 ( 0.000 -29.040 -9.845) 30.663 29.276 ( 0.000 -3.026 4.517) 5.438 29.494 ( 0.000 -1.686 -6.038) 6.269 30.116 ( 0.000 6.200 9.431) 11.286 30.412 ( 0.000 6.839 -2.967) 7.455 31.152 ( 0.000 25.550 14.160) 29.211 31.387 ( 0.000 19.110 9.090) 21.162 31.490 ( 0.000 31.004 -0.738) 31.013 31.834 ( 0.000 22.480 -10.186) 24.680 33.031 ( 0.000 -4.439 12.019) 12.812 33.333 ( 0.000 1.665 0.480) 1.733 33.962 ( 0.000 -15.478 24.126) 28.664 34.572 ( 0.000 -10.135 5.058) 11.327 35.098 ( 0.000 2.734 11.436) 11.759 35.431 ( 0.000 9.189 -3.559) 9.854 35.460 ( 0.000 -7.998 5.462) 9.685 36.248 ( 0.000 -2.755 -24.558) 24.712 ======================= Grid point 286 (98/126) ======================= q-point: ( 0.20 0.18 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 0.757 5.996 5.007) 7.848 2.128 ( -0.401 8.339 -5.504) 9.999 2.793 ( 0.595 0.252 2.733) 2.808 2.932 ( -2.656 -0.927 -4.961) 5.703 3.436 ( 1.577 -5.922 6.466) 8.908 3.562 ( -1.067 -4.970 -0.037) 5.084 5.409 ( -3.453 7.870 6.916) 11.031 5.614 ( -11.874 3.547 -3.184) 12.795 6.190 ( 17.266 -1.906 8.199) 19.209 6.553 ( 15.932 -6.030 -2.710) 17.249 7.036 ( -2.320 11.877 11.017) 16.365 7.349 ( -10.249 18.165 -0.324) 20.859 8.084 ( 3.152 21.707 22.609) 31.500 8.487 ( -8.503 34.190 13.227) 37.633 8.910 ( 2.069 19.507 9.224) 21.677 8.980 ( 1.581 25.480 -3.691) 25.794 9.230 ( 1.817 29.039 -3.653) 29.325 9.562 ( -4.079 18.385 -13.689) 23.282 10.976 ( 5.298 -9.044 15.605) 18.798 11.286 ( 1.573 -7.940 0.902) 8.144 11.725 ( -2.721 0.917 19.139) 19.354 12.092 ( -9.641 -3.371 4.391) 11.117 12.280 ( -8.434 0.152 5.336) 9.982 12.871 ( 9.589 -0.450 -11.488) 14.971 13.576 ( 10.309 -10.615 26.347) 30.218 13.956 ( -2.602 5.658 21.387) 22.275 14.516 ( 3.590 2.879 2.929) 5.455 14.832 ( -1.499 16.041 -3.222) 16.430 15.164 ( -6.585 -0.434 4.818) 8.171 15.432 ( -11.913 2.615 -9.080) 15.205 15.951 ( 12.873 4.885 -22.224) 26.143 16.345 ( 0.131 4.761 -34.519) 34.846 16.906 ( 4.034 -21.888 9.731) 24.291 17.280 ( -2.265 -15.665 -9.295) 18.355 17.808 ( 1.249 -17.370 -2.403) 17.580 17.976 ( 1.913 -12.687 -14.068) 19.040 18.841 ( -6.022 -13.316 3.203) 14.961 19.129 ( -12.700 -16.772 -5.480) 21.740 19.625 ( 6.423 -3.761 -0.204) 7.446 19.706 ( 15.071 -15.580 -8.160) 23.162 20.318 ( -6.697 -3.293 1.183) 7.556 20.663 ( -11.366 7.817 -7.978) 15.936 21.022 ( 4.311 6.003 -7.840) 10.775 21.252 ( 9.797 8.893 -13.590) 18.968 22.377 ( -5.335 0.800 3.779) 6.587 22.651 ( -1.299 2.328 -4.018) 4.822 22.822 ( 2.149 -3.903 -7.556) 8.772 23.091 ( 6.422 5.478 -14.757) 17.001 24.374 ( -11.886 -9.681 7.443) 17.041 24.562 ( -7.976 3.998 -0.131) 8.923 25.044 ( 11.246 3.614 -1.459) 11.902 25.063 ( 11.389 1.007 -3.301) 11.901 26.631 ( -12.813 -14.633 8.996) 21.429 26.840 ( -14.399 -12.012 -0.702) 18.765 27.418 ( 13.734 -23.395 4.737) 27.539 27.710 ( 5.733 -28.007 -7.082) 29.452 29.283 ( 0.730 -2.213 3.710) 4.381 29.446 ( -4.480 -0.626 -3.758) 5.881 30.146 ( 2.592 5.235 7.554) 9.550 30.387 ( -2.354 5.603 -2.103) 6.431 31.146 ( -0.455 26.058 12.205) 28.778 31.333 ( -3.174 24.243 6.007) 25.177 31.565 ( 5.340 26.972 1.465) 27.534 31.805 ( -2.881 23.029 -8.030) 24.558 33.040 ( 0.720 -4.787 12.259) 13.180 33.329 ( -0.272 -1.509 1.556) 2.184 34.022 ( 5.779 -12.420 21.508) 25.500 34.545 ( -2.754 -11.049 7.000) 13.367 35.117 ( 1.990 2.452 10.325) 10.797 35.330 ( -5.456 1.538 3.738) 6.790 35.587 ( 7.988 0.067 -2.553) 8.386 36.210 ( -3.937 -2.891 -24.223) 24.710 ======================= Grid point 287 (99/126) ======================= q-point: ( 0.40 0.18 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 0.524 6.300 4.466) 7.740 2.120 ( -0.306 8.304 -4.830) 9.612 2.816 ( 1.890 0.755 0.788) 2.182 2.874 ( -3.156 0.192 -2.213) 3.859 3.465 ( 1.251 -6.641 4.680) 8.220 3.540 ( -0.977 -3.913 0.767) 4.106 5.378 ( 0.133 4.749 2.183) 5.228 5.456 ( -5.033 2.676 -2.571) 6.253 6.450 ( 8.813 -4.487 13.614) 16.827 6.750 ( 2.913 8.116 7.391) 11.357 7.076 ( 6.788 7.939 2.776) 10.808 7.184 ( -6.360 14.036 1.284) 15.463 8.096 ( -0.966 24.078 20.270) 31.489 8.330 ( -6.733 31.122 8.283) 32.902 8.929 ( 3.772 14.708 4.442) 15.821 9.018 ( -2.202 22.967 0.887) 23.089 9.297 ( 5.372 29.915 -4.489) 30.723 9.458 ( -5.969 24.953 -6.874) 26.562 11.125 ( 9.027 -8.118 10.391) 15.980 11.300 ( -1.571 -8.550 3.163) 9.250 11.662 ( -2.260 -4.281 9.369) 10.545 11.830 ( -11.376 -8.324 -2.514) 14.318 12.280 ( 2.153 7.232 22.610) 23.836 12.962 ( 1.447 2.051 -3.292) 4.140 13.743 ( 5.479 -7.520 19.629) 21.722 13.937 ( 0.245 0.077 11.195) 11.198 14.568 ( 1.906 13.740 5.180) 14.807 14.864 ( 4.475 10.277 -4.806) 12.196 15.063 ( -3.254 -2.614 11.097) 11.855 15.182 ( -12.204 4.101 -3.080) 13.238 16.168 ( 8.739 6.563 -29.106) 31.090 16.324 ( -2.504 3.173 -30.817) 31.081 16.971 ( 2.075 -23.419 6.541) 24.403 17.263 ( 0.352 -15.585 -6.806) 17.010 17.826 ( 0.884 -18.366 -4.496) 18.929 17.986 ( -1.122 -10.652 -12.950) 16.806 18.780 ( 0.645 -15.087 0.867) 15.125 18.932 ( -8.096 -16.952 -2.668) 18.974 19.728 ( 3.959 -1.776 3.461) 5.550 19.980 ( 12.967 -13.297 -10.375) 21.274 20.185 ( -6.825 -10.223 -5.438) 13.441 20.443 ( -9.898 5.795 -13.058) 17.380 21.106 ( 3.173 12.004 0.693) 12.436 21.395 ( 4.586 10.968 -11.595) 16.606 22.313 ( -1.467 -4.278 1.039) 4.640 22.559 ( -4.464 -0.104 -11.739) 12.560 22.942 ( 6.231 2.169 -0.466) 6.614 23.158 ( 0.659 4.990 -10.971) 12.071 24.212 ( -4.691 -11.202 6.465) 13.758 24.437 ( -4.310 3.854 -3.426) 6.720 25.199 ( 4.975 0.857 0.929) 5.133 25.262 ( 7.286 6.683 -1.380) 9.983 26.407 ( -8.395 -16.379 8.269) 20.177 26.639 ( -6.341 -10.161 -3.332) 12.432 27.612 ( 6.263 -27.986 4.698) 29.060 27.790 ( 2.149 -26.331 -3.441) 26.641 29.306 ( 1.907 -0.325 1.865) 2.687 29.361 ( -4.059 0.473 -0.480) 4.115 30.185 ( 1.226 4.558 5.833) 7.504 30.346 ( -1.463 3.049 -1.436) 3.674 31.141 ( -0.103 26.869 9.190) 28.397 31.296 ( -0.925 26.905 5.257) 27.430 31.653 ( 4.014 26.225 -0.359) 26.532 31.742 ( -3.571 23.570 -3.339) 24.072 33.050 ( 0.310 -5.494 12.722) 13.861 33.327 ( 0.015 -5.447 2.747) 6.101 34.131 ( 4.501 -7.111 16.890) 18.871 34.486 ( -2.747 -13.806 11.158) 17.963 35.167 ( 3.226 1.663 7.211) 8.073 35.241 ( -4.194 1.674 7.056) 8.378 35.718 ( 5.006 1.271 -5.524) 7.563 36.128 ( -3.665 -3.449 -23.918) 24.442 ======================= Grid point 290 (100/126) ======================= q-point: ( 0.00 0.27 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 0.000 7.378 3.441) 8.141 2.288 ( 0.000 6.301 -8.115) 10.274 2.787 ( 0.000 -0.107 2.664) 2.666 2.930 ( 0.000 -1.208 -5.059) 5.201 3.310 ( 0.000 -4.426 7.795) 8.964 3.480 ( 0.000 -3.563 -0.758) 3.643 5.684 ( 0.000 -8.903 4.298) 9.886 5.783 ( 0.000 17.947 10.844) 20.969 6.078 ( 0.000 -14.360 -10.881) 18.017 6.173 ( 0.000 16.412 -8.406) 18.440 7.346 ( 0.000 16.024 20.645) 26.134 7.972 ( 0.000 25.380 -6.653) 26.238 8.388 ( 0.000 18.122 24.657) 30.601 9.177 ( 0.000 15.784 -4.551) 16.427 9.301 ( 0.000 19.881 10.310) 22.395 9.613 ( 0.000 32.041 13.756) 34.869 9.692 ( 0.000 13.875 -4.049) 14.453 10.011 ( 0.000 25.310 -2.978) 25.484 10.694 ( 0.000 -8.933 18.330) 20.391 11.096 ( 0.000 -7.331 -2.532) 7.756 11.857 ( 0.000 0.306 15.285) 15.289 12.176 ( 0.000 7.447 9.981) 12.453 12.534 ( 0.000 4.069 -15.609) 16.130 12.735 ( 0.000 10.694 -14.957) 18.387 13.319 ( 0.000 -1.985 30.744) 30.808 14.190 ( 0.000 9.322 34.586) 35.820 14.300 ( 0.000 -11.846 -1.413) 11.930 15.040 ( 0.000 -0.333 -0.792) 0.859 15.412 ( 0.000 -9.609 3.826) 10.343 15.433 ( 0.000 13.572 4.074) 14.170 16.035 ( 0.000 13.300 -12.109) 17.987 16.382 ( 0.000 -3.330 -17.543) 17.856 16.501 ( 0.000 -10.679 0.254) 10.682 17.070 ( 0.000 -5.326 -28.799) 29.287 17.439 ( 0.000 -16.945 -1.611) 17.022 17.674 ( 0.000 -12.553 -17.165) 21.265 18.622 ( 0.000 -15.646 -0.967) 15.676 18.947 ( 0.000 -26.376 2.610) 26.505 19.091 ( 0.000 -14.243 -17.772) 22.775 19.294 ( 0.000 -19.949 -14.886) 24.891 20.518 ( 0.000 8.889 10.689) 13.903 20.899 ( 0.000 3.244 1.631) 3.631 21.017 ( 0.000 -0.827 -12.709) 12.736 21.241 ( 0.000 4.501 -12.738) 13.510 22.480 ( 0.000 -4.484 0.370) 4.500 22.675 ( 0.000 10.621 8.133) 13.377 22.767 ( 0.000 -5.067 -12.311) 13.313 23.157 ( 0.000 8.237 -14.595) 16.758 24.294 ( 0.000 -12.557 13.343) 18.323 24.803 ( 0.000 8.733 6.330) 10.785 24.814 ( 0.000 -6.915 -12.095) 13.932 25.070 ( 0.000 8.348 -3.797) 9.171 26.525 ( 0.000 -9.526 13.815) 16.781 26.533 ( 0.000 -26.759 12.252) 29.430 27.059 ( 0.000 -27.014 -12.501) 29.766 27.081 ( 0.000 -1.514 -15.247) 15.322 29.220 ( 0.000 -2.458 4.807) 5.399 29.461 ( 0.000 -1.525 -7.237) 7.396 30.274 ( 0.000 8.435 8.466) 11.951 30.554 ( 0.000 7.024 -2.672) 7.515 31.596 ( 0.000 16.995 17.355) 24.290 31.770 ( 0.000 17.531 11.182) 20.794 32.077 ( 0.000 25.516 -1.713) 25.574 32.295 ( 0.000 21.537 -11.103) 24.231 32.943 ( 0.000 -3.635 13.349) 13.835 33.412 ( 0.000 5.891 -3.572) 6.889 33.620 ( 0.000 -17.437 20.899) 27.218 34.251 ( 0.000 -18.901 -4.359) 19.397 35.163 ( 0.000 3.296 15.066) 15.422 35.400 ( 0.000 0.604 14.759) 14.772 35.611 ( 0.000 8.095 -5.406) 9.735 36.169 ( 0.000 -4.449 -19.205) 19.714 ======================= Grid point 291 (101/126) ======================= q-point: ( 0.20 0.27 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.918 7.357 3.128) 8.047 2.283 ( -0.492 6.247 -7.617) 9.864 2.797 ( 1.155 0.102 1.899) 2.225 2.913 ( -1.677 -0.851 -4.278) 4.673 3.321 ( 1.010 -4.679 7.439) 8.846 3.478 ( -0.218 -3.258 -0.445) 3.296 5.547 ( -6.677 3.244 3.100) 8.045 5.715 ( -8.994 5.664 -2.446) 10.907 6.187 ( 12.879 2.474 2.766) 13.403 6.441 ( 19.512 -2.286 -5.072) 20.290 7.347 ( 0.326 18.272 18.115) 25.732 7.792 ( -13.679 23.417 0.416) 27.123 8.514 ( 6.643 20.066 16.840) 27.025 8.948 ( -14.645 10.001 1.376) 17.787 9.376 ( -0.050 26.253 13.035) 29.311 9.611 ( 6.097 27.424 3.837) 28.354 9.766 ( 1.423 21.470 -0.158) 21.517 9.986 ( -1.381 23.400 -0.846) 23.456 10.757 ( 6.306 -9.813 12.881) 17.378 11.085 ( -1.248 -10.257 -2.387) 10.605 11.771 ( -6.961 2.530 7.745) 10.717 12.087 ( -12.679 4.644 -2.064) 13.660 12.426 ( -0.960 11.843 8.064) 14.360 12.867 ( 6.739 1.270 -6.917) 9.741 13.470 ( 13.461 0.660 20.517) 24.548 14.033 ( -8.812 1.266 17.209) 19.375 14.479 ( 11.809 -4.208 13.220) 18.219 14.991 ( -4.412 -2.542 2.227) 5.558 15.243 ( -8.128 6.771 6.684) 12.514 15.524 ( -2.308 6.551 0.856) 6.998 16.083 ( 7.232 6.942 -11.884) 15.547 16.419 ( 2.756 1.014 -21.154) 21.357 16.526 ( 2.727 -11.807 2.737) 12.423 17.051 ( -1.748 -4.855 -25.022) 25.548 17.430 ( -0.958 -18.689 -3.686) 19.073 17.703 ( 2.515 -12.895 -18.538) 22.721 18.531 ( -7.692 -16.940 -2.376) 18.756 18.746 ( -12.183 -20.252 -4.411) 24.042 19.296 ( 11.732 -21.133 -9.478) 25.963 19.409 ( 11.840 -18.021 -13.452) 25.414 20.336 ( -14.155 3.916 6.070) 15.892 20.768 ( -14.004 2.319 -12.202) 18.718 21.141 ( 13.233 5.210 1.044) 14.260 21.394 ( 11.165 4.742 -9.195) 15.222 22.352 ( -8.826 -2.196 1.390) 9.201 22.654 ( -8.550 -3.793 -12.939) 15.965 22.847 ( 12.254 7.434 6.003) 15.539 23.236 ( 5.971 7.760 -12.208) 15.650 24.156 ( -11.526 -10.771 12.644) 20.217 24.631 ( -9.019 0.595 -8.088) 12.129 25.031 ( 12.303 0.471 1.082) 12.359 25.170 ( 9.542 5.578 -1.379) 11.139 26.337 ( -13.646 -13.752 10.394) 21.985 26.526 ( -4.744 -17.095 5.361) 18.533 27.055 ( 3.160 -15.445 -7.524) 17.468 27.213 ( 8.228 -16.776 -10.386) 21.377 29.234 ( 1.580 -2.337 3.852) 4.775 29.424 ( -3.655 -1.370 -5.311) 6.591 30.291 ( 1.562 7.967 6.756) 10.562 30.516 ( -3.734 6.727 -1.945) 7.935 31.603 ( 0.700 17.781 15.973) 23.912 31.758 ( -0.918 17.494 10.830) 20.595 32.118 ( 3.607 25.248 -1.095) 25.528 32.285 ( -1.081 22.716 -9.668) 24.712 32.952 ( 0.884 -3.564 12.508) 13.036 33.296 ( -7.887 -2.240 3.508) 8.917 33.765 ( 11.105 -11.569 12.567) 20.375 34.221 ( -3.302 -18.058 -2.290) 18.500 35.179 ( 1.681 3.210 14.467) 14.914 35.359 ( -3.485 2.082 13.686) 14.275 35.677 ( 5.994 6.113 -5.185) 10.009 36.131 ( -3.918 -4.190 -18.807) 19.663 ======================= Grid point 292 (102/126) ======================= q-point: ( 0.40 0.27 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 0.620 7.313 2.562) 7.774 2.273 ( -0.365 6.171 -6.745) 9.149 2.828 ( 2.109 0.335 -0.080) 2.137 2.874 ( -2.401 -0.173 -2.339) 3.356 3.338 ( 0.592 -5.127 6.903) 8.619 3.473 ( -0.189 -2.730 0.038) 2.737 5.496 ( 0.980 6.154 -0.348) 6.241 5.567 ( -6.273 7.045 -3.698) 10.132 6.373 ( 5.519 -1.925 10.416) 11.944 6.766 ( 12.151 -4.946 -5.396) 14.185 7.372 ( 2.225 21.636 12.539) 25.105 7.578 ( -7.934 21.137 5.160) 23.159 8.474 ( -7.406 13.948 18.028) 23.966 8.806 ( -1.260 14.932 0.556) 14.996 9.413 ( 4.767 30.837 15.938) 35.038 9.629 ( -5.787 31.704 2.677) 32.339 9.829 ( 7.176 18.233 1.295) 19.637 9.958 ( -2.937 24.359 -1.584) 24.587 10.896 ( 7.564 -13.541 4.620) 16.184 11.040 ( -3.953 -15.392 -2.723) 16.123 11.675 ( -2.363 4.441 2.080) 5.443 11.839 ( -9.767 10.114 -6.156) 15.349 12.467 ( 2.526 10.081 23.143) 25.369 12.930 ( 0.751 -3.642 3.715) 5.256 13.694 ( 8.126 3.312 11.568) 14.520 13.922 ( -3.238 -0.631 7.690) 8.368 14.691 ( 10.904 -3.364 13.831) 17.931 14.881 ( -8.050 -7.700 10.436) 15.264 15.180 ( 2.586 13.774 3.766) 14.512 15.367 ( -10.994 13.149 4.378) 17.690 16.248 ( 6.785 -2.874 -16.427) 18.003 16.454 ( 1.043 10.078 -19.510) 21.984 16.580 ( 2.058 -11.673 0.805) 11.880 17.020 ( -1.228 -6.599 -17.597) 18.834 17.415 ( -0.373 -20.483 -7.315) 21.753 17.732 ( 0.261 -13.197 -20.760) 24.601 18.432 ( -1.712 -19.029 -4.056) 19.531 18.562 ( -6.943 -18.492 -4.027) 20.159 19.468 ( 6.323 -20.814 -4.544) 22.223 19.632 ( 8.831 -20.840 -14.228) 26.734 20.110 ( -8.165 2.434 2.177) 8.793 20.528 ( -9.267 1.981 -15.779) 18.406 21.346 ( 6.918 10.195 3.947) 12.937 21.564 ( 5.660 5.383 -6.427) 10.115 22.227 ( -3.815 -3.586 0.092) 5.237 22.505 ( -5.709 -4.888 -14.408) 16.251 23.069 ( 9.817 9.413 5.364) 14.621 23.292 ( -0.829 7.679 -6.676) 10.209 23.982 ( -5.445 -10.698 11.016) 16.292 24.497 ( -4.527 0.076 -11.842) 12.678 25.196 ( 4.741 0.505 5.413) 7.213 25.368 ( 8.971 3.207 -1.504) 9.645 26.095 ( -9.862 -13.211 9.710) 19.133 26.432 ( -3.622 -10.460 -4.162) 11.826 27.122 ( 2.610 -18.822 -0.628) 19.013 27.327 ( 3.436 -18.340 -7.541) 20.125 29.277 ( 3.070 -1.930 1.486) 3.919 29.347 ( -4.207 -1.401 -1.793) 4.783 30.322 ( 1.509 7.769 4.326) 9.020 30.444 ( -3.077 5.810 -0.872) 6.632 31.617 ( 0.627 18.998 13.817) 23.499 31.746 ( -0.359 17.151 11.019) 20.389 32.180 ( 2.541 23.780 -1.319) 23.952 32.260 ( -1.380 26.001 -6.789) 26.908 32.969 ( 0.731 -2.396 11.138) 11.416 33.186 ( -3.381 -7.623 5.359) 9.913 33.965 ( 9.900 -10.870 7.011) 16.289 34.128 ( -6.745 -16.760 2.752) 18.274 35.219 ( 2.401 2.982 12.663) 13.229 35.295 ( -3.051 3.109 14.253) 14.903 35.793 ( 5.231 4.634 -5.916) 9.157 36.043 ( -4.402 -4.043 -18.566) 19.504 ======================= Grid point 295 (103/126) ======================= q-point: ( 0.00 0.36 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 0.000 6.248 0.091) 6.248 2.373 ( 0.000 1.914 -8.719) 8.927 2.785 ( 0.000 -0.071 2.295) 2.296 2.910 ( 0.000 -0.721 -4.191) 4.253 3.256 ( 0.000 -0.642 8.134) 8.160 3.418 ( 0.000 -2.748 0.302) 2.765 5.534 ( 0.000 -5.166 -1.069) 5.276 5.802 ( 0.000 -12.079 -11.237) 16.497 6.139 ( 0.000 15.417 11.382) 19.163 6.520 ( 0.000 16.307 -7.190) 17.822 7.707 ( 0.000 18.349 22.891) 29.338 8.472 ( 0.000 23.207 -11.352) 25.834 8.739 ( 0.000 15.396 20.826) 25.899 9.376 ( 0.000 5.184 -7.819) 9.382 9.513 ( 0.000 -1.739 3.307) 3.737 9.686 ( 0.000 -9.773 1.862) 9.949 10.053 ( 0.000 12.957 27.202) 30.130 10.612 ( 0.000 26.204 0.178) 26.205 10.651 ( 0.000 2.218 15.997) 16.150 11.069 ( 0.000 4.981 -3.351) 6.004 11.775 ( 0.000 -2.558 16.274) 16.473 12.415 ( 0.000 14.766 12.003) 19.029 12.712 ( 0.000 7.375 -26.958) 27.949 12.991 ( 0.000 12.269 -12.710) 17.666 13.363 ( 0.000 5.517 24.486) 25.099 14.075 ( 0.000 -7.412 0.310) 7.418 14.363 ( 0.000 7.987 27.785) 28.911 14.972 ( 0.000 -5.824 -0.873) 5.889 15.137 ( 0.000 -15.713 21.101) 26.309 15.644 ( 0.000 5.963 16.317) 17.372 16.221 ( 0.000 -10.585 -5.507) 11.932 16.328 ( 0.000 14.636 -2.778) 14.898 16.466 ( 0.000 7.015 -5.176) 8.718 17.105 ( 0.000 6.089 -40.648) 41.102 17.122 ( 0.000 -13.288 -7.890) 15.453 17.495 ( 0.000 -4.277 -23.513) 23.899 18.290 ( 0.000 -16.121 -1.511) 16.191 18.385 ( 0.000 -26.360 0.794) 26.372 18.824 ( 0.000 -24.769 -21.598) 32.863 18.826 ( 0.000 -11.086 -19.096) 22.081 20.691 ( 0.000 7.431 6.374) 9.790 20.937 ( 0.000 1.092 5.090) 5.206 20.986 ( 0.000 -1.920 -8.026) 8.252 21.282 ( 0.000 -0.250 -9.256) 9.260 22.416 ( 0.000 -2.015 -0.917) 2.214 22.682 ( 0.000 -3.107 -12.485) 12.866 22.875 ( 0.000 8.541 10.091) 13.220 23.293 ( 0.000 4.648 -9.042) 10.166 24.064 ( 0.000 -9.258 14.049) 16.825 24.645 ( 0.000 -8.782 -14.599) 17.037 24.999 ( 0.000 10.075 5.923) 11.687 25.241 ( 0.000 8.458 -1.904) 8.669 26.058 ( 0.000 -19.834 7.761) 21.299 26.391 ( 0.000 -3.814 15.320) 15.788 26.565 ( 0.000 -20.536 -14.319) 25.036 27.066 ( 0.000 -0.070 -19.253) 19.253 29.178 ( 0.000 -1.622 4.825) 5.091 29.433 ( 0.000 -1.176 -8.153) 8.237 30.432 ( 0.000 6.491 7.985) 10.291 30.692 ( 0.000 6.109 -1.879) 6.391 31.844 ( 0.000 7.713 19.110) 20.608 32.076 ( 0.000 11.862 12.990) 17.591 32.491 ( 0.000 13.845 -5.771) 14.999 32.682 ( 0.000 15.498 -9.864) 18.371 32.908 ( 0.000 0.945 17.383) 17.409 33.284 ( 0.000 -14.163 15.857) 21.261 33.551 ( 0.000 6.886 -5.984) 9.123 33.880 ( 0.000 -16.113 -7.571) 17.803 35.224 ( 0.000 2.490 17.801) 17.974 35.432 ( 0.000 1.805 16.790) 16.887 35.750 ( 0.000 5.325 -6.648) 8.518 36.085 ( 0.000 -3.423 -13.696) 14.117 ======================= Grid point 296 (104/126) ======================= q-point: ( 0.20 0.36 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.711 6.085 -0.151) 6.128 2.368 ( -0.488 1.969 -8.269) 8.514 2.797 ( 1.310 -0.067 1.548) 2.029 2.898 ( -1.211 -0.591 -3.649) 3.890 3.264 ( 0.717 -0.698 8.070) 8.132 3.419 ( 0.071 -2.733 0.489) 2.778 5.552 ( 2.132 -0.793 -1.123) 2.537 5.756 ( -3.205 -2.830 -8.357) 9.388 6.273 ( 10.283 5.756 7.410) 13.921 6.534 ( 2.534 9.612 -3.770) 10.631 7.743 ( 3.648 19.137 19.830) 27.798 8.261 ( -15.086 21.650 -0.190) 26.388 8.901 ( 8.491 17.523 8.564) 21.272 9.077 ( -18.308 3.864 2.816) 18.922 9.659 ( 8.314 -0.013 4.852) 9.626 9.834 ( 11.568 -5.216 1.052) 12.733 10.085 ( 3.291 13.771 19.855) 24.386 10.547 ( -3.757 14.717 7.081) 16.759 10.714 ( 2.921 13.798 4.656) 14.852 10.953 ( -11.202 -0.629 -4.106) 11.948 11.757 ( -1.919 -1.429 13.657) 13.865 12.306 ( -9.364 13.485 -1.365) 16.474 12.682 ( -2.290 10.956 -0.346) 11.198 12.951 ( -2.141 5.672 -2.700) 6.637 13.564 ( 16.129 7.234 8.170) 19.474 14.024 ( -3.976 -0.496 -1.544) 4.294 14.426 ( 5.640 0.533 25.210) 25.839 14.866 ( -7.344 -8.076 10.221) 14.954 15.257 ( 8.176 -5.459 13.793) 16.938 15.639 ( -0.847 3.410 15.174) 15.576 16.203 ( -3.631 -1.165 -6.105) 7.198 16.341 ( 5.350 3.043 -1.878) 6.435 16.543 ( 5.688 7.708 -4.005) 10.383 17.057 ( -4.718 -7.748 -12.609) 15.533 17.141 ( 1.748 2.987 -33.392) 33.571 17.493 ( -0.210 -6.921 -25.109) 26.046 18.142 ( -10.170 -21.057 -5.331) 23.984 18.339 ( -6.789 -17.918 -4.564) 19.697 18.875 ( 8.169 -19.367 -13.931) 25.217 18.990 ( 11.227 -20.562 -18.819) 30.050 20.430 ( -16.916 4.809 6.270) 18.670 20.771 ( -15.238 -1.658 -9.160) 17.857 21.224 ( 17.992 2.969 3.115) 18.500 21.448 ( 12.162 0.788 -6.479) 13.803 22.319 ( -8.411 -0.867 -1.016) 8.516 22.566 ( -9.845 -3.997 -11.473) 15.637 23.018 ( 12.312 7.782 8.491) 16.860 23.375 ( 6.990 5.220 -7.643) 11.599 23.964 ( -9.390 -7.388 13.112) 17.739 24.542 ( -8.903 -8.022 -13.735) 18.229 25.121 ( 10.643 7.451 5.054) 13.940 25.287 ( 4.509 6.333 -0.641) 7.801 26.045 ( -4.010 -14.941 5.766) 16.510 26.228 ( -8.373 -11.688 6.263) 15.682 26.727 ( 10.212 -12.896 -6.437) 17.664 27.060 ( -0.506 -2.350 -16.490) 16.664 29.193 ( 1.712 -1.600 3.664) 4.349 29.396 ( -3.654 -1.202 -6.436) 7.497 30.440 ( 0.892 6.107 6.354) 8.858 30.648 ( -4.336 5.812 -1.382) 7.382 31.868 ( 2.352 8.468 18.283) 20.286 32.047 ( -2.359 10.797 12.885) 16.975 32.548 ( 4.759 15.726 -4.168) 16.951 32.688 ( 0.906 15.527 -9.048) 17.994 32.907 ( 0.090 -0.275 15.450) 15.453 33.196 ( -7.596 -7.466 10.592) 15.021 33.613 ( 4.751 -2.656 -0.518) 5.468 33.889 ( 0.775 -13.344 -6.945) 15.063 35.238 ( 1.506 2.399 17.217) 17.449 35.404 ( -2.646 1.969 16.162) 16.495 35.789 ( 3.812 4.443 -6.542) 8.779 36.057 ( -2.951 -2.796 -13.118) 13.733 ======================= Grid point 297 (105/126) ======================= q-point: ( 0.40 0.36 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 0.482 5.817 -0.600) 5.867 2.359 ( -0.348 2.066 -7.508) 7.795 2.829 ( 2.047 -0.123 -0.255) 2.067 2.868 ( -1.968 -0.329 -2.164) 2.943 3.276 ( 0.406 -0.776 7.956) 8.004 3.420 ( 0.004 -2.702 0.765) 2.808 5.614 ( 4.246 5.248 -2.539) 7.212 5.698 ( -3.511 4.964 -5.611) 8.273 6.377 ( 1.206 1.637 7.825) 8.085 6.646 ( 6.662 -5.675 -3.630) 9.475 7.835 ( 6.389 20.768 12.751) 25.193 8.008 ( -11.672 20.447 5.755) 24.237 8.758 ( -9.480 14.579 15.717) 23.440 9.046 ( 2.838 10.074 2.654) 10.797 9.839 ( 9.266 0.820 6.979) 11.629 9.992 ( 4.491 6.482 0.948) 7.943 10.147 ( 1.905 19.703 14.258) 24.395 10.484 ( -2.933 6.639 6.221) 9.560 10.702 ( -4.459 -3.405 -6.811) 8.824 10.773 ( -4.018 6.557 -1.772) 7.892 11.720 ( -1.327 -0.900 11.759) 11.867 12.162 ( -4.659 15.702 -7.509) 18.018 12.664 ( 0.101 8.908 17.829) 19.931 12.912 ( -1.809 2.561 5.141) 6.022 13.826 ( 10.623 7.648 -3.420) 13.529 13.954 ( -4.052 4.665 -5.991) 8.607 14.534 ( 4.908 -7.331 21.369) 23.118 14.748 ( -4.726 -5.402 18.277) 19.636 15.398 ( 7.558 5.522 13.433) 16.372 15.569 ( -6.931 3.762 17.872) 19.535 16.166 ( -0.144 -1.658 -14.393) 14.489 16.480 ( 8.371 0.379 3.327) 9.016 16.601 ( -1.213 1.188 0.134) 1.703 16.965 ( -3.616 -6.040 -5.483) 8.923 17.179 ( 1.829 8.385 -38.313) 39.263 17.484 ( -0.680 -10.425 -29.365) 31.168 18.003 ( -4.008 -22.569 -8.553) 24.466 18.212 ( -4.773 -14.986 -7.201) 17.298 19.024 ( 5.709 -20.470 -8.927) 23.051 19.165 ( 5.833 -23.345 -18.315) 30.240 20.195 ( -7.058 5.096 5.071) 10.075 20.525 ( -8.874 -2.134 -9.753) 13.357 21.502 ( 10.286 5.104 1.873) 11.635 21.629 ( 5.514 1.552 -3.354) 6.638 22.180 ( -4.776 -0.868 -2.601) 5.508 22.389 ( -7.179 -5.733 -12.050) 15.153 23.263 ( 12.943 7.753 8.145) 17.146 23.446 ( -2.488 6.797 -1.056) 7.314 23.808 ( -4.669 -5.059 8.328) 10.805 24.390 ( -5.717 -9.920 -14.349) 18.357 25.282 ( 4.257 8.188 5.307) 10.645 25.409 ( 8.075 1.521 0.078) 8.217 25.871 ( -10.111 -8.978 8.450) 15.945 26.181 ( 0.116 -14.230 -1.700) 14.332 26.866 ( 4.139 -6.780 -6.269) 10.119 27.054 ( -0.066 -8.440 -10.999) 13.865 29.241 ( 3.393 -1.507 0.821) 3.802 29.317 ( -4.503 -1.364 -2.885) 5.519 30.468 ( 2.110 5.928 3.420) 7.162 30.558 ( -4.394 4.952 -0.137) 6.622 31.914 ( 2.059 10.246 16.550) 19.573 32.008 ( -1.580 8.906 13.772) 16.477 32.608 ( 1.277 17.579 -1.691) 17.706 32.722 ( 1.975 17.407 -7.043) 18.882 32.933 ( 3.400 -2.104 10.734) 11.454 33.051 ( -7.374 -4.518 7.621) 11.527 33.681 ( 2.079 -12.127 3.340) 12.750 33.902 ( 0.447 -8.130 -6.091) 10.169 35.275 ( 2.214 2.317 15.584) 15.910 35.350 ( -2.765 1.976 16.375) 16.724 35.874 ( 4.792 2.911 -7.019) 8.984 35.985 ( -4.408 -1.493 -12.098) 12.962 ======================= Grid point 300 (106/126) ======================= q-point: ( 0.00 0.45 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 0.000 3.526 -3.094) 4.691 2.376 ( 0.000 -1.103 -7.158) 7.243 2.784 ( 0.000 -0.021 2.177) 2.177 2.900 ( 0.000 -0.240 -3.725) 3.733 3.273 ( 0.000 1.586 6.842) 7.023 3.364 ( 0.000 -2.277 2.594) 3.452 5.483 ( 0.000 -0.113 -4.747) 4.749 5.608 ( 0.000 -6.164 -10.239) 11.951 6.366 ( 0.000 6.004 12.311) 13.697 6.776 ( 0.000 7.211 -7.481) 10.390 8.030 ( 0.000 10.514 24.152) 26.341 8.895 ( 0.000 16.214 -14.144) 21.516 8.993 ( 0.000 8.449 14.867) 17.100 9.324 ( 0.000 -9.489 1.372) 9.588 9.389 ( 0.000 -2.713 -3.820) 4.685 9.462 ( 0.000 -11.023 -4.130) 11.772 10.277 ( 0.000 8.751 33.328) 34.458 10.707 ( 0.000 2.136 20.867) 20.976 10.824 ( 0.000 -2.298 13.033) 13.234 11.184 ( 0.000 3.741 -2.565) 4.536 11.955 ( 0.000 16.056 5.997) 17.140 12.652 ( 0.000 -10.831 -27.768) 29.806 12.700 ( 0.000 10.088 12.097) 15.752 13.155 ( 0.000 2.991 -4.662) 5.539 13.506 ( 0.000 5.986 13.144) 14.443 14.037 ( 0.000 1.487 -3.957) 4.227 14.553 ( 0.000 11.077 10.601) 15.333 14.798 ( 0.000 -10.946 0.192) 10.948 14.871 ( 0.000 -7.897 32.464) 33.410 15.690 ( 0.000 -0.022 32.417) 32.417 16.026 ( 0.000 -6.218 -0.541) 6.241 16.581 ( 0.000 7.866 0.054) 7.866 16.752 ( 0.000 18.763 -7.728) 20.292 16.933 ( 0.000 -4.470 -11.065) 11.933 17.121 ( 0.000 -9.687 -26.006) 27.752 17.473 ( 0.000 0.511 -32.349) 32.353 18.016 ( 0.000 -8.544 2.395) 8.874 18.054 ( 0.000 -0.499 -14.873) 14.882 18.333 ( 0.000 -21.500 -24.751) 32.785 18.661 ( 0.000 -4.485 -20.069) 20.564 20.807 ( 0.000 3.543 1.928) 4.033 20.946 ( 0.000 -1.727 -4.511) 4.830 20.957 ( 0.000 0.773 6.350) 6.397 21.256 ( 0.000 -1.386 -5.700) 5.866 22.389 ( 0.000 -0.690 -1.300) 1.472 22.641 ( 0.000 -0.940 -12.354) 12.390 23.006 ( 0.000 3.699 11.506) 12.086 23.345 ( 0.000 0.858 -4.484) 4.565 23.936 ( 0.000 -3.116 12.161) 12.554 24.500 ( 0.000 -4.265 -16.026) 16.584 25.177 ( 0.000 5.627 8.151) 9.905 25.428 ( 0.000 10.228 -3.074) 10.680 25.710 ( 0.000 -14.378 4.732) 15.136 26.256 ( 0.000 -8.501 -16.225) 18.317 26.349 ( 0.000 -0.779 15.735) 15.754 27.070 ( 0.000 0.212 -20.860) 20.861 29.155 ( 0.000 -0.573 4.768) 4.803 29.416 ( 0.000 -0.440 -8.657) 8.668 30.526 ( 0.000 2.415 8.063) 8.417 30.785 ( 0.000 2.574 -1.680) 3.073 31.937 ( 0.000 2.006 19.513) 19.616 32.244 ( 0.000 4.379 14.116) 14.780 32.638 ( 0.000 2.212 -6.669) 7.026 32.871 ( 0.000 1.858 5.863) 6.151 32.970 ( 0.000 3.072 17.912) 18.173 33.119 ( 0.000 -0.754 -3.195) 3.283 33.628 ( 0.000 -7.468 -7.608) 10.661 33.659 ( 0.000 2.963 -6.401) 7.053 35.259 ( 0.000 0.912 19.213) 19.235 35.459 ( 0.000 0.725 17.065) 17.080 35.824 ( 0.000 1.831 -7.252) 7.479 36.036 ( 0.000 -1.232 -10.445) 10.517 ======================= Grid point 301 (107/126) ======================= q-point: ( 0.20 0.45 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 0.476 3.507 -3.263) 4.814 2.371 ( -0.415 -1.136 -6.865) 6.971 2.796 ( 1.279 -0.029 1.559) 2.017 2.890 ( -1.061 -0.207 -3.198) 3.375 3.282 ( 0.824 1.773 6.644) 6.926 3.363 ( -0.117 -2.498 2.800) 3.754 5.560 ( 7.588 1.709 -4.929) 9.209 5.658 ( 5.044 -4.828 -9.044) 11.425 6.378 ( 1.063 3.187 10.825) 11.334 6.711 ( -6.739 5.450 -5.509) 10.269 8.056 ( 2.886 9.335 21.476) 23.594 8.633 ( -16.460 12.340 -0.994) 20.596 9.088 ( -6.998 0.944 3.905) 8.069 9.227 ( 6.370 9.084 1.978) 11.270 9.529 ( 8.652 -8.273 2.806) 12.295 9.673 ( 16.914 -5.664 -2.005) 17.950 10.197 ( -4.953 -1.194 18.398) 19.090 10.712 ( -0.827 9.044 16.929) 19.211 10.869 ( -0.263 -1.552 10.906) 11.019 11.068 ( -8.572 2.662 6.372) 11.008 11.914 ( -4.047 16.134 3.451) 16.988 12.408 ( -13.636 -6.787 -12.191) 19.510 12.838 ( 3.848 5.763 3.581) 7.800 13.042 ( -7.121 2.270 4.803) 8.884 13.704 ( 15.585 4.458 1.408) 16.271 14.058 ( 1.805 2.890 -7.188) 7.955 14.516 ( -2.331 7.146 14.009) 15.898 14.696 ( -4.247 -8.026 11.358) 14.541 15.119 ( 17.309 -5.150 20.602) 27.397 15.662 ( -2.026 -0.482 30.042) 30.114 16.074 ( 3.197 -4.943 1.501) 6.075 16.465 ( -9.118 1.955 1.109) 9.391 16.789 ( 1.128 13.632 -7.416) 15.560 16.947 ( 2.413 2.810 -10.006) 10.669 17.187 ( 5.656 -8.347 -26.587) 28.434 17.477 ( 0.898 4.906 -27.569) 28.016 17.757 ( -14.941 -12.127 -11.328) 22.330 18.082 ( -4.753 -6.082 -17.846) 19.444 18.506 ( 13.663 -13.865 -15.764) 25.048 18.691 ( 3.328 -7.419 -18.290) 20.016 20.519 ( -16.538 3.234 4.796) 17.521 20.721 ( -16.713 -2.389 -4.343) 17.432 21.265 ( 18.803 1.047 2.387) 18.983 21.446 ( 13.625 -0.441 -4.514) 14.361 22.311 ( -7.350 -0.140 -2.151) 7.660 22.507 ( -11.576 -1.536 -9.702) 15.182 23.132 ( 10.964 2.956 9.506) 14.810 23.443 ( 8.898 1.552 -3.971) 9.867 23.870 ( -6.125 -1.950 10.493) 12.305 24.391 ( -10.688 -4.865 -14.314) 18.515 25.255 ( 7.863 3.858 7.785) 11.718 25.459 ( 2.781 10.606 -3.500) 11.509 25.750 ( 3.197 -13.408 3.101) 14.129 26.041 ( -12.879 -5.610 1.581) 14.137 26.570 ( 13.573 -3.182 -1.829) 14.060 27.041 ( -3.108 -0.176 -18.631) 18.889 29.171 ( 1.743 -0.564 3.455) 3.911 29.379 ( -3.732 -0.458 -7.035) 7.977 30.527 ( 0.379 2.231 6.429) 6.815 30.736 ( -4.930 2.377 -1.289) 5.623 31.972 ( 3.451 2.277 18.828) 19.276 32.198 ( -3.848 3.850 13.901) 14.928 32.722 ( 7.581 2.417 -5.216) 9.514 32.870 ( 0.066 1.987 7.263) 7.530 32.953 ( -1.710 3.041 15.661) 16.045 33.093 ( -2.789 -0.523 -3.653) 4.625 33.603 ( -1.213 0.127 -5.239) 5.379 33.699 ( 2.644 -4.731 -7.574) 9.314 35.272 ( 1.405 0.883 18.603) 18.677 35.432 ( -2.713 0.662 16.486) 16.721 35.851 ( 2.661 1.565 -6.899) 7.558 36.019 ( -1.796 -0.893 -9.883) 10.084 ======================= Grid point 302 (108/126) ======================= q-point: ( 0.40 0.45 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 0.380 3.624 -3.632) 5.145 2.363 ( -0.347 -1.339 -6.312) 6.462 2.827 ( 1.950 -0.059 0.009) 1.951 2.863 ( -1.801 -0.136 -1.790) 2.543 3.296 ( 0.526 2.271 6.264) 6.684 3.360 ( -0.151 -3.042 3.162) 4.390 5.708 ( 6.634 3.747 -5.183) 9.215 5.751 ( 3.023 0.069 -6.676) 7.329 6.405 ( 2.246 0.709 6.450) 6.867 6.563 ( -7.543 -2.053 -1.322) 7.928 8.146 ( 7.403 8.687 13.951) 18.025 8.348 ( -13.732 9.881 4.613) 17.536 9.028 ( 0.840 10.079 12.949) 16.431 9.218 ( -4.724 4.389 12.247) 13.841 9.777 ( 11.936 0.399 0.035) 11.943 9.947 ( 11.492 -8.688 -5.678) 15.485 10.191 ( 6.690 -7.088 0.640) 9.767 10.531 ( -22.068 -3.484 -11.956) 25.339 10.755 ( -1.693 20.008 26.880) 33.552 11.052 ( 1.684 -3.497 22.034) 22.374 11.840 ( -2.765 17.549 -0.247) 17.767 12.228 ( -5.201 -10.869 -10.489) 15.976 12.852 ( -0.644 8.787 13.365) 16.008 12.960 ( -1.961 -0.152 7.499) 7.752 13.956 ( 9.997 4.335 -8.466) 13.799 14.071 ( -1.339 4.237 -12.594) 13.355 14.500 ( 0.306 3.928 16.869) 17.323 14.639 ( -1.933 -6.173 15.840) 17.110 15.420 ( 13.921 0.428 23.274) 27.122 15.610 ( -5.114 0.909 26.563) 27.066 16.113 ( 1.897 -2.679 -2.459) 4.101 16.304 ( -7.218 -11.547 5.285) 14.607 16.818 ( 2.390 15.355 1.348) 15.598 16.969 ( -0.856 5.815 -9.611) 11.266 17.282 ( 3.785 -6.682 -31.629) 32.548 17.491 ( -2.816 -0.367 -6.736) 7.310 17.585 ( -0.049 -2.614 -38.025) 38.115 17.953 ( -6.691 -10.871 -19.224) 23.077 18.704 ( 6.114 -9.089 -12.889) 16.915 18.765 ( 3.365 -12.578 -17.215) 21.584 20.305 ( -5.551 5.142 4.097) 8.605 20.452 ( -9.967 -4.334 -2.509) 11.154 21.564 ( 12.269 1.304 0.474) 12.347 21.646 ( 5.478 0.322 -2.239) 5.927 22.184 ( -3.954 0.796 -4.666) 6.168 22.292 ( -9.769 -3.226 -8.578) 13.395 23.352 ( 12.092 1.515 9.490) 15.445 23.531 ( -4.336 1.257 5.728) 7.293 23.821 ( 4.349 4.997 -1.657) 6.828 24.166 ( -11.258 -9.423 -11.558) 18.685 25.430 ( 9.590 1.711 5.255) 11.069 25.503 ( 1.185 10.053 -2.564) 10.443 25.734 ( -6.769 -3.664 5.427) 9.418 25.886 ( -1.692 -12.914 1.717) 13.137 26.793 ( 9.985 -1.332 -7.468) 12.540 26.958 ( -5.813 -1.844 -13.143) 14.489 29.219 ( 3.501 -0.544 0.300) 3.555 29.297 ( -4.682 -0.522 -3.495) 5.866 30.552 ( 2.591 2.104 3.105) 4.558 30.631 ( -5.509 1.927 0.180) 5.839 32.047 ( 4.192 3.054 17.146) 17.914 32.127 ( -3.748 2.935 15.034) 15.770 32.861 ( 5.317 3.976 3.751) 7.626 32.883 ( 2.250 -0.055 7.198) 7.541 32.917 ( -1.677 3.439 7.615) 8.522 33.021 ( -4.601 0.235 -5.092) 6.867 33.591 ( -0.241 3.323 -3.299) 4.689 33.736 ( 1.083 -8.199 -7.723) 11.315 35.310 ( 2.600 0.987 17.144) 17.368 35.373 ( -3.311 0.389 16.423) 16.758 35.911 ( 3.536 0.875 -7.186) 8.056 35.973 ( -3.095 -0.063 -8.526) 9.070 ======================= Grid point 330 (109/126) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 0.000 0.000 -0.402) 0.402 1.863 ( 0.000 0.000 0.402) 0.402 2.878 ( 0.000 0.000 -4.878) 4.878 2.878 ( 0.000 0.000 4.878) 4.878 3.699 ( 0.000 0.000 -4.327) 4.327 3.699 ( 0.000 0.000 4.327) 4.327 5.445 ( 0.000 0.000 -13.402) 13.402 5.445 ( 0.000 0.000 13.402) 13.402 6.566 ( 0.000 0.000 -16.895) 16.895 6.566 ( 0.000 0.000 16.895) 16.895 6.813 ( 0.000 0.000 -15.353) 15.353 6.813 ( 0.000 0.000 15.353) 15.353 7.843 ( 0.000 0.000 -23.558) 23.558 7.843 ( 0.000 0.000 23.558) 23.558 8.361 ( 0.000 0.000 -11.948) 11.948 8.361 ( 0.000 0.000 11.948) 11.948 8.666 ( 0.000 0.000 -32.921) 32.921 8.666 ( 0.000 0.000 32.921) 32.921 11.269 ( 0.000 0.000 -8.769) 8.769 11.269 ( 0.000 0.000 8.769) 8.769 12.263 ( 0.000 0.000 -27.739) 27.739 12.263 ( 0.000 0.000 27.739) 27.739 12.915 ( 0.000 0.000 -19.296) 19.296 12.915 ( 0.000 0.000 19.296) 19.296 13.863 ( 0.000 0.000 -12.015) 12.015 13.863 ( 0.000 0.000 12.015) 12.015 14.342 ( 0.000 0.000 -16.277) 16.277 14.342 ( 0.000 0.000 16.277) 16.277 15.356 ( 0.000 0.000 -5.563) 5.563 15.356 ( 0.000 0.000 5.563) 5.563 15.541 ( 0.000 0.000 -18.211) 18.211 15.541 ( 0.000 0.000 18.211) 18.211 17.677 ( 0.000 0.000 -12.406) 12.406 17.677 ( 0.000 0.000 12.406) 12.406 18.125 ( 0.000 0.000 -1.037) 1.037 18.125 ( 0.000 0.000 1.037) 1.037 19.496 ( 0.000 0.000 -13.235) 13.235 19.496 ( 0.000 0.000 13.235) 13.235 19.754 ( 0.000 0.000 -16.102) 16.102 19.754 ( 0.000 0.000 16.102) 16.102 20.540 ( 0.000 0.000 -7.888) 7.888 20.540 ( 0.000 0.000 7.888) 7.888 20.550 ( 0.000 0.000 -11.211) 11.211 20.550 ( 0.000 0.000 11.211) 11.211 22.439 ( 0.000 0.000 -13.137) 13.137 22.439 ( 0.000 0.000 13.137) 13.137 22.848 ( 0.000 0.000 -8.094) 8.094 22.848 ( 0.000 0.000 8.094) 8.094 24.628 ( 0.000 0.000 -5.791) 5.791 24.628 ( 0.000 0.000 5.791) 5.791 24.900 ( 0.000 0.000 -0.505) 0.505 24.900 ( 0.000 0.000 0.505) 0.505 27.179 ( 0.000 0.000 -3.178) 3.178 27.179 ( 0.000 0.000 3.178) 3.178 28.322 ( 0.000 0.000 -7.914) 7.914 28.322 ( 0.000 0.000 7.914) 7.914 29.481 ( 0.000 0.000 -8.527) 8.527 29.481 ( 0.000 0.000 8.527) 8.527 30.182 ( 0.000 0.000 -0.982) 0.982 30.182 ( 0.000 0.000 0.982) 0.982 30.466 ( 0.000 0.000 -2.158) 2.158 30.466 ( 0.000 0.000 2.158) 2.158 31.063 ( 0.000 0.000 -12.136) 12.136 31.063 ( 0.000 0.000 12.136) 12.136 33.326 ( 0.000 0.000 -5.961) 5.961 33.326 ( 0.000 0.000 5.961) 5.961 34.749 ( 0.000 0.000 -5.621) 5.621 34.749 ( 0.000 0.000 5.621) 5.621 35.144 ( 0.000 0.000 -1.881) 1.881 35.144 ( 0.000 0.000 1.881) 1.881 35.824 ( 0.000 0.000 -5.965) 5.965 35.824 ( 0.000 0.000 5.965) 5.965 ======================= Grid point 332 (110/126) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -0.146 0.000 -0.318) 0.350 1.861 ( -0.146 0.000 0.318) 0.350 2.859 ( -1.777 0.000 -3.957) 4.338 2.859 ( -1.777 0.000 3.957) 4.338 3.689 ( -0.885 0.000 -3.358) 3.473 3.689 ( -0.885 0.000 3.358) 3.473 5.447 ( 0.284 0.000 -10.084) 10.088 5.447 ( 0.284 0.000 10.084) 10.088 6.623 ( 5.124 0.000 -11.860) 12.920 6.623 ( 5.124 0.000 11.860) 12.920 6.821 ( 1.142 0.000 -14.045) 14.092 6.821 ( 1.142 0.000 14.045) 14.092 7.801 ( -6.969 0.000 -13.525) 15.215 7.801 ( -6.969 0.000 13.525) 15.215 8.227 ( -4.003 0.000 -8.907) 9.766 8.227 ( -4.003 0.000 8.907) 9.766 8.811 ( 7.448 0.000 -13.711) 15.603 8.811 ( 7.448 0.000 13.711) 15.603 11.319 ( 6.222 0.000 -6.857) 9.259 11.319 ( 6.222 0.000 6.857) 9.259 12.238 ( -4.142 0.000 -21.859) 22.248 12.238 ( -4.142 0.000 21.859) 22.248 12.853 ( -5.298 0.000 -13.833) 14.813 12.853 ( -5.298 0.000 13.834) 14.813 13.777 ( -6.546 0.000 -9.645) 11.657 13.777 ( -6.546 0.000 9.645) 11.657 14.443 ( 8.074 0.000 -12.535) 14.910 14.443 ( 8.074 0.000 12.535) 14.910 15.339 ( -1.594 0.000 -2.050) 2.597 15.339 ( -1.594 0.000 2.050) 2.597 15.561 ( 1.757 0.000 -12.911) 13.030 15.561 ( 1.757 0.000 12.911) 13.030 17.709 ( 3.514 0.000 -9.807) 10.418 17.709 ( 3.514 0.000 9.807) 10.418 18.119 ( -1.022 0.000 -1.367) 1.707 18.119 ( -1.022 0.000 1.367) 1.707 19.418 ( -6.723 0.000 -9.253) 11.437 19.418 ( -6.723 0.000 9.253) 11.437 19.786 ( 2.388 0.000 -11.520) 11.765 19.786 ( 2.388 0.000 11.520) 11.765 20.485 ( -2.203 0.000 -2.523) 3.350 20.485 ( -2.203 0.000 2.523) 3.350 20.633 ( 4.833 0.000 -0.390) 4.849 20.633 ( 4.833 0.000 0.390) 4.849 22.436 ( -0.353 0.000 -9.385) 9.391 22.436 ( -0.353 0.000 9.385) 9.392 22.870 ( 2.199 0.000 -5.236) 5.679 22.870 ( 2.199 0.000 5.236) 5.679 24.541 ( -6.703 0.000 -2.671) 7.215 24.541 ( -6.703 0.000 2.671) 7.215 24.994 ( 7.468 0.000 -1.826) 7.688 24.994 ( 7.468 0.000 1.826) 7.688 27.058 ( -10.677 0.000 -3.454) 11.222 27.058 ( -10.677 0.000 3.454) 11.222 28.466 ( 13.487 0.000 -6.547) 14.992 28.466 ( 13.487 0.000 6.547) 14.992 29.400 ( -8.355 0.000 -5.490) 9.997 29.400 ( -8.355 0.000 5.490) 9.997 30.199 ( 1.528 0.000 -0.933) 1.790 30.199 ( 1.528 0.000 0.933) 1.790 30.458 ( -0.644 0.000 -0.723) 0.969 30.458 ( -0.644 0.000 0.723) 0.969 31.047 ( -1.482 0.000 -9.611) 9.725 31.047 ( -1.482 0.000 9.611) 9.725 33.363 ( 3.412 0.000 -5.001) 6.054 33.363 ( 3.412 0.000 5.001) 6.054 34.752 ( 0.383 0.000 -4.130) 4.148 34.752 ( 0.383 0.000 4.130) 4.148 35.146 ( 0.179 0.000 -0.975) 0.992 35.146 ( 0.179 0.000 0.975) 0.992 35.814 ( -0.887 0.000 -4.764) 4.846 35.814 ( -0.887 0.000 4.764) 4.846 ======================= Grid point 334 (111/126) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -0.105 0.000 -0.116) 0.156 1.859 ( -0.105 0.000 0.116) 0.156 2.827 ( -1.187 0.000 -1.515) 1.924 2.827 ( -1.187 0.000 1.515) 1.924 3.675 ( -0.411 0.000 -1.200) 1.269 3.675 ( -0.411 0.000 1.200) 1.269 5.455 ( 0.347 0.000 -3.474) 3.491 5.455 ( 0.347 0.000 3.474) 3.491 6.701 ( 2.304 0.000 -3.547) 4.230 6.701 ( 2.304 0.000 3.547) 4.230 6.858 ( 2.195 0.000 -6.432) 6.797 6.858 ( 2.195 0.000 6.432) 6.797 7.628 ( -7.438 0.000 -3.054) 8.040 7.628 ( -7.438 0.000 3.054) 8.040 8.273 ( 4.625 0.000 -8.624) 9.785 8.273 ( 4.625 0.000 8.624) 9.785 8.857 ( -0.977 0.000 -2.182) 2.391 8.857 ( -0.977 0.000 2.182) 2.391 11.495 ( 10.238 0.000 -1.902) 10.413 11.495 ( 10.238 0.000 1.902) 10.413 12.085 ( -9.914 0.000 -7.341) 12.336 12.085 ( -9.914 0.000 7.341) 12.336 12.783 ( -1.642 0.000 -3.177) 3.576 12.783 ( -1.642 0.000 3.177) 3.576 13.687 ( -2.601 0.000 -4.190) 4.932 13.687 ( -2.601 0.000 4.190) 4.932 14.562 ( 3.769 0.000 -5.123) 6.360 14.562 ( 3.769 0.000 5.123) 6.360 15.311 ( -1.025 0.000 -0.409) 1.103 15.311 ( -1.025 0.000 0.409) 1.103 15.588 ( 0.897 0.000 -4.222) 4.316 15.588 ( 0.897 0.000 4.222) 4.316 17.791 ( 4.063 0.000 -3.842) 5.592 17.791 ( 4.063 0.000 3.842) 5.592 18.081 ( -2.425 0.000 -0.624) 2.504 18.081 ( -2.425 0.000 0.624) 2.504 19.312 ( -3.548 0.000 -3.417) 4.926 19.312 ( -3.548 0.000 3.417) 4.926 19.818 ( 0.939 0.000 -4.185) 4.289 19.818 ( 0.939 0.000 4.185) 4.289 20.460 ( -0.604 0.000 -1.431) 1.553 20.460 ( -0.604 0.000 1.431) 1.553 20.702 ( 2.204 0.000 -0.233) 2.216 20.702 ( 2.204 0.000 0.233) 2.216 22.428 ( -0.374 0.000 -2.856) 2.881 22.428 ( -0.374 0.000 2.856) 2.881 22.911 ( 1.573 0.000 -1.215) 1.988 22.911 ( 1.573 0.000 1.215) 1.988 24.442 ( -3.140 0.000 -0.486) 3.178 24.442 ( -3.140 0.000 0.486) 3.178 25.107 ( 3.738 0.000 -1.407) 3.994 25.107 ( 3.738 0.000 1.407) 3.994 26.886 ( -5.865 0.000 -1.810) 6.137 26.886 ( -5.865 0.000 1.810) 6.137 28.726 ( 11.765 0.000 -3.244) 12.204 28.726 ( 11.765 0.000 3.244) 12.204 29.214 ( -9.482 0.000 -0.807) 9.516 29.214 ( -9.482 0.000 0.807) 9.516 30.222 ( 0.691 0.000 -1.353) 1.519 30.222 ( 0.691 0.000 1.353) 1.519 30.450 ( -0.161 0.000 -0.395) 0.427 30.450 ( -0.161 0.000 0.395) 0.427 31.022 ( -0.890 0.000 -3.561) 3.671 31.022 ( -0.890 0.000 3.561) 3.671 33.421 ( 2.013 0.000 -2.012) 2.846 33.421 ( 2.013 0.000 2.013) 2.846 34.760 ( 0.317 0.000 -1.294) 1.333 34.760 ( 0.317 0.000 1.294) 1.333 35.148 ( 0.059 0.000 -0.005) 0.059 35.148 ( 0.059 0.000 0.005) 0.059 35.799 ( -0.562 0.000 -1.774) 1.860 35.799 ( -0.562 0.000 1.774) 1.860 ======================= Grid point 340 (112/126) ======================= q-point: ( 0.00 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 0.000 4.039 -3.529) 5.364 1.906 ( 0.000 4.039 3.529) 5.364 2.872 ( 0.000 -0.525 -4.620) 4.649 2.872 ( 0.000 -0.525 4.620) 4.649 3.646 ( 0.000 -4.745 -4.043) 6.233 3.646 ( 0.000 -4.745 4.043) 6.233 5.490 ( 0.000 4.910 -12.023) 12.986 5.490 ( 0.000 4.910 12.023) 12.986 6.403 ( 0.000 -11.987 -16.109) 20.079 6.403 ( 0.000 -11.987 16.109) 20.079 7.000 ( 0.000 14.238 -10.016) 17.408 7.000 ( 0.000 14.238 10.016) 17.408 8.066 ( 0.000 19.534 -18.113) 26.639 8.066 ( 0.000 19.534 18.113) 26.639 8.556 ( 0.000 18.147 -10.518) 20.975 8.556 ( 0.000 18.147 10.518) 20.975 8.788 ( 0.000 12.577 -28.253) 30.926 8.788 ( 0.000 12.577 28.253) 30.926 11.269 ( 0.000 -0.688 -8.497) 8.525 11.269 ( 0.000 -0.688 8.497) 8.525 12.248 ( 0.000 -1.420 -25.988) 26.027 12.248 ( 0.000 -1.420 25.988) 26.027 12.668 ( 0.000 -17.703 -13.806) 22.450 12.668 ( 0.000 -17.703 13.806) 22.450 14.137 ( 0.000 21.085 -18.557) 28.088 14.137 ( 0.000 21.085 18.557) 28.088 14.282 ( 0.000 -5.525 -24.835) 25.442 14.282 ( 0.000 -5.525 24.835) 25.442 15.368 ( 0.000 1.446 -10.472) 10.572 15.368 ( 0.000 1.446 10.472) 10.572 15.584 ( 0.000 3.979 -21.340) 21.708 15.584 ( 0.000 3.979 21.340) 21.708 17.503 ( 0.000 -15.887 -11.177) 19.425 17.503 ( 0.000 -15.887 11.177) 19.425 18.031 ( 0.000 -8.882 -1.584) 9.023 18.031 ( 0.000 -8.882 1.584) 9.023 19.370 ( 0.000 -11.097 -13.082) 17.154 19.370 ( 0.000 -11.097 13.082) 17.154 19.709 ( 0.000 -5.519 -9.497) 10.984 19.709 ( 0.000 -5.519 9.497) 10.984 20.565 ( 0.000 2.837 -14.057) 14.340 20.565 ( 0.000 2.837 14.057) 14.340 20.659 ( 0.000 9.196 -9.921) 13.528 20.659 ( 0.000 9.196 9.921) 13.528 22.497 ( 0.000 5.654 -13.420) 14.562 22.497 ( 0.000 5.654 13.420) 14.562 22.802 ( 0.000 -4.303 -7.741) 8.856 22.802 ( 0.000 -4.303 7.741) 8.856 24.670 ( 0.000 4.047 -6.146) 7.359 24.670 ( 0.000 4.047 6.146) 7.359 24.853 ( 0.000 -4.291 -4.687) 6.355 24.853 ( 0.000 -4.291 4.687) 6.355 27.114 ( 0.000 -6.111 -4.196) 7.413 27.114 ( 0.000 -6.111 4.196) 7.413 28.023 ( 0.000 -25.734 -10.538) 27.808 28.023 ( 0.000 -25.734 10.538) 27.808 29.434 ( 0.000 -3.082 -5.750) 6.524 29.434 ( 0.000 -3.082 5.750) 6.524 30.202 ( 0.000 2.431 -5.940) 6.418 30.202 ( 0.000 2.431 5.940) 6.418 30.791 ( 0.000 26.717 -6.063) 27.396 30.791 ( 0.000 26.717 6.063) 27.396 31.227 ( 0.000 14.864 -11.384) 18.722 31.227 ( 0.000 14.864 11.384) 18.722 33.299 ( 0.000 -2.403 -6.321) 6.763 33.299 ( 0.000 -2.403 6.321) 6.763 34.661 ( 0.000 -8.693 -13.935) 16.424 34.661 ( 0.000 -8.693 13.935) 16.424 35.190 ( 0.000 4.296 -5.038) 6.621 35.190 ( 0.000 4.296 5.038) 6.621 35.804 ( 0.000 -1.571 -16.720) 16.793 35.804 ( 0.000 -1.571 16.720) 16.794 ======================= Grid point 342 (113/126) ======================= q-point: ( 0.20 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -0.024 4.150 -3.360) 5.340 1.905 ( -0.024 4.150 3.360) 5.340 2.857 ( -1.465 -0.236 -3.786) 4.066 2.857 ( -1.465 -0.236 3.786) 4.066 3.639 ( -0.598 -4.441 -3.147) 5.476 3.639 ( -0.598 -4.441 3.147) 5.476 5.451 ( -2.999 1.240 -8.036) 8.667 5.451 ( -2.999 1.240 8.036) 8.667 6.547 ( 13.092 -6.708 -13.292) 19.827 6.547 ( 13.092 -6.708 13.292) 19.827 6.952 ( -4.153 11.543 -9.527) 15.532 6.952 ( -4.153 11.543 9.527) 15.532 8.015 ( -7.280 20.090 -12.293) 24.652 8.015 ( -7.280 20.090 12.293) 24.652 8.466 ( -1.612 20.893 -12.217) 24.256 8.466 ( -1.612 20.893 12.217) 24.256 8.902 ( 5.484 9.830 -14.393) 18.272 8.902 ( 5.484 9.830 14.393) 18.272 11.305 ( 4.489 -1.860 -7.337) 8.800 11.305 ( 4.489 -1.860 7.337) 8.800 12.179 ( -7.760 -6.639 -16.640) 19.524 12.179 ( -7.760 -6.639 16.640) 19.524 12.683 ( 1.804 -10.291 -15.587) 18.765 12.683 ( 1.804 -10.291 15.587) 18.765 13.993 ( -8.981 14.185 -12.399) 20.871 13.993 ( -8.981 14.185 12.399) 20.871 14.435 ( 9.983 1.525 -16.634) 19.460 14.435 ( 9.983 1.525 16.634) 19.460 15.325 ( -3.825 -0.718 -6.294) 7.400 15.325 ( -3.825 -0.718 6.294) 7.400 15.621 ( 3.045 5.317 -17.510) 18.552 15.621 ( 3.045 5.317 17.510) 18.552 17.519 ( 1.818 -16.842 -8.410) 18.913 17.519 ( 1.818 -16.842 8.410) 18.913 18.040 ( 0.575 -8.068 -1.494) 8.225 18.040 ( 0.575 -8.068 1.494) 8.225 19.280 ( -7.333 -11.991 -9.762) 17.113 19.280 ( -7.333 -11.991 9.762) 17.113 19.774 ( 5.036 -2.522 -9.092) 10.695 19.774 ( 5.036 -2.522 9.092) 10.695 20.462 ( -6.427 -1.690 -4.366) 7.951 20.462 ( -6.427 -1.690 4.366) 7.951 20.774 ( 7.435 12.030 -6.016) 15.369 20.774 ( 7.435 12.030 6.016) 15.369 22.465 ( -2.857 2.486 -9.217) 9.965 22.465 ( -2.857 2.486 9.217) 9.965 22.851 ( 4.415 -1.411 -5.327) 7.061 22.851 ( 4.415 -1.411 5.327) 7.061 24.537 ( -8.956 -0.524 -2.291) 9.259 24.537 ( -8.956 -0.524 2.291) 9.260 24.996 ( 10.021 0.518 -2.695) 10.390 24.996 ( 10.021 0.518 2.695) 10.390 26.978 ( -11.831 -7.531 -3.490) 14.452 26.978 ( -11.831 -7.531 3.490) 14.452 28.149 ( 10.977 -26.355 -7.976) 29.642 28.149 ( 10.977 -26.355 7.976) 29.642 29.388 ( -4.513 -0.800 -3.976) 6.067 29.388 ( -4.513 -0.800 3.976) 6.067 30.230 ( 2.621 1.182 -4.946) 5.721 30.230 ( 2.621 1.182 4.946) 5.721 30.746 ( -4.135 26.156 -4.430) 26.848 30.746 ( -4.135 26.156 4.430) 26.848 31.235 ( 0.559 16.365 -8.336) 18.374 31.235 ( 0.559 16.365 8.336) 18.374 33.328 ( 2.710 -3.109 -6.173) 7.424 33.328 ( 2.710 -3.109 6.173) 7.424 34.666 ( 0.519 -8.498 -13.667) 16.102 34.666 ( 0.519 -8.498 13.667) 16.102 35.198 ( 0.706 4.713 -4.551) 6.590 35.198 ( 0.706 4.713 4.551) 6.590 35.791 ( -1.219 -1.864 -14.783) 14.949 35.791 ( -1.219 -1.864 14.783) 14.950 ======================= Grid point 344 (114/126) ======================= q-point: ( 0.40 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -0.020 4.345 -3.051) 5.309 1.905 ( -0.020 4.345 3.051) 5.309 2.831 ( -0.974 0.276 -1.560) 1.860 2.831 ( -0.974 0.276 1.560) 1.860 3.630 ( -0.293 -4.064 -1.160) 4.237 3.630 ( -0.293 -4.064 1.160) 4.237 5.412 ( -0.964 -2.451 -3.137) 4.096 5.412 ( -0.964 -2.451 3.137) 4.096 6.742 ( 4.252 1.408 -7.298) 8.563 6.742 ( 4.252 1.408 7.298) 8.563 6.920 ( 2.303 6.399 -11.634) 13.476 6.920 ( 2.303 6.399 11.634) 13.476 7.842 ( -7.708 21.385 -3.925) 23.068 7.842 ( -7.708 21.385 3.925) 23.068 8.529 ( 4.937 21.932 -8.195) 23.928 8.529 ( 4.937 21.932 8.195) 23.928 8.922 ( -1.872 7.756 -6.176) 10.090 8.922 ( -1.872 7.756 6.176) 10.090 11.432 ( 7.260 -5.911 -4.162) 10.245 11.432 ( 7.260 -5.911 4.162) 10.245 11.997 ( -9.066 -8.911 -5.203) 13.736 11.997 ( -9.066 -8.911 5.203) 13.736 12.722 ( 1.581 -2.374 -18.290) 18.511 12.722 ( 1.581 -2.374 18.290) 18.511 13.872 ( -3.615 13.024 -5.385) 14.549 13.872 ( -3.615 13.024 5.385) 14.549 14.578 ( 4.519 3.108 -8.391) 10.025 14.578 ( 4.519 3.108 8.391) 10.025 15.261 ( -2.333 -3.780 -13.412) 14.128 15.261 ( -2.333 -3.780 13.412) 14.128 15.666 ( 1.388 6.574 -15.294) 16.705 15.666 ( 1.388 6.574 15.294) 16.705 17.560 ( 1.877 -18.935 -4.131) 19.471 17.560 ( 1.877 -18.935 4.131) 19.471 18.041 ( -0.318 -6.227 -1.292) 6.367 18.041 ( -0.318 -6.227 1.292) 6.367 19.170 ( -3.550 -12.561 -5.005) 13.980 19.170 ( -3.550 -12.561 5.005) 13.980 19.847 ( 2.283 2.415 -9.869) 10.414 19.847 ( 2.283 2.415 9.869) 10.414 20.373 ( -2.726 -8.201 -1.977) 8.866 20.373 ( -2.726 -8.201 1.977) 8.866 20.880 ( 3.300 14.968 -7.667) 17.138 20.880 ( 3.300 14.968 7.667) 17.138 22.419 ( -1.578 -0.931 -4.032) 4.428 22.419 ( -1.578 -0.931 4.032) 4.428 22.924 ( 2.602 1.543 -3.467) 4.602 22.924 ( 2.602 1.543 3.467) 4.602 24.411 ( -3.906 -2.749 -0.757) 4.836 24.411 ( -3.906 -2.749 0.757) 4.836 25.144 ( 4.790 3.317 -1.692) 6.067 25.144 ( 4.790 3.317 1.692) 6.067 26.788 ( -6.495 -9.141 -2.931) 11.590 26.788 ( -6.495 -9.141 2.931) 11.590 28.327 ( 6.214 -29.551 -3.797) 30.435 28.327 ( 6.214 -29.551 3.797) 30.435 29.304 ( -3.334 4.031 -1.047) 5.335 29.304 ( -3.334 4.031 1.047) 5.335 30.275 ( 1.681 -1.458 -4.151) 4.710 30.275 ( 1.681 -1.458 4.151) 4.710 30.676 ( -2.445 26.593 -2.962) 26.869 30.676 ( -2.445 26.593 2.962) 26.869 31.242 ( 0.166 18.120 -3.564) 18.468 31.242 ( 0.166 18.120 3.564) 18.468 33.374 ( 1.587 -4.222 -5.797) 7.345 33.374 ( 1.587 -4.222 5.797) 7.345 34.676 ( 0.398 -8.194 -13.330) 15.652 34.676 ( 0.398 -8.194 13.330) 15.652 35.210 ( 0.428 5.482 -3.728) 6.643 35.210 ( 0.428 5.482 3.728) 6.643 35.769 ( -0.794 -2.405 -10.231) 10.540 35.769 ( -0.794 -2.405 10.231) 10.540 ======================= Grid point 350 (115/126) ======================= q-point: ( 0.00 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 0.000 6.316 -5.810) 8.582 2.016 ( 0.000 6.316 5.810) 8.582 2.859 ( 0.000 -0.696 -4.050) 4.110 2.859 ( 0.000 -0.696 4.050) 4.110 3.531 ( 0.000 -5.812 -3.837) 6.964 3.531 ( 0.000 -5.812 3.837) 6.965 5.668 ( 0.000 12.645 -10.824) 16.645 5.668 ( 0.000 12.645 10.824) 16.645 6.130 ( 0.000 -14.158 -13.939) 19.868 6.130 ( 0.000 -14.158 13.939) 19.868 7.337 ( 0.000 18.233 -11.102) 21.347 7.337 ( 0.000 18.233 11.102) 21.347 8.502 ( 0.000 20.264 -20.067) 28.518 8.502 ( 0.000 20.264 20.067) 28.518 9.037 ( 0.000 26.651 -11.552) 29.047 9.037 ( 0.000 26.651 11.552) 29.047 9.215 ( 0.000 29.124 -18.142) 34.313 9.215 ( 0.000 29.124 18.142) 34.313 11.189 ( 0.000 -8.246 -8.459) 11.814 11.189 ( 0.000 -8.246 8.459) 11.814 12.211 ( 0.000 -1.994 -21.019) 21.113 12.211 ( 0.000 -1.994 21.019) 21.113 12.390 ( 0.000 -6.588 -12.692) 14.300 12.390 ( 0.000 -6.588 12.692) 14.300 14.136 ( 0.000 -8.206 -32.011) 33.046 14.136 ( 0.000 -8.206 32.011) 33.046 14.565 ( 0.000 18.260 -26.411) 32.109 14.565 ( 0.000 18.260 26.411) 32.109 15.440 ( 0.000 6.737 -17.705) 18.943 15.440 ( 0.000 6.737 17.705) 18.943 15.687 ( 0.000 5.695 -25.707) 26.330 15.687 ( 0.000 5.695 25.707) 26.330 17.096 ( 0.000 -22.063 -11.288) 24.783 17.096 ( 0.000 -22.063 11.288) 24.783 17.780 ( 0.000 -15.161 -2.966) 15.448 17.780 ( 0.000 -15.161 2.966) 15.448 19.093 ( 0.000 -15.191 -13.072) 20.041 19.093 ( 0.000 -15.191 13.072) 20.041 19.488 ( 0.000 -16.382 -5.694) 17.343 19.488 ( 0.000 -16.382 5.694) 17.343 20.655 ( 0.000 5.384 -17.295) 18.114 20.655 ( 0.000 5.384 17.295) 18.114 20.860 ( 0.000 9.292 -8.841) 12.826 20.860 ( 0.000 9.292 8.841) 12.826 22.661 ( 0.000 9.932 -13.387) 16.669 22.661 ( 0.000 9.932 13.387) 16.669 22.688 ( 0.000 -6.292 -7.620) 9.882 22.688 ( 0.000 -6.292 7.620) 9.882 24.735 ( 0.000 -7.150 -9.458) 11.856 24.735 ( 0.000 -7.150 9.458) 11.856 24.785 ( 0.000 7.006 -6.966) 9.880 24.785 ( 0.000 7.006 6.966) 9.880 26.955 ( 0.000 -8.627 -8.785) 12.312 26.955 ( 0.000 -8.627 8.785) 12.312 27.414 ( 0.000 -31.398 -13.024) 33.992 27.414 ( 0.000 -31.398 13.024) 33.992 29.377 ( 0.000 -2.543 -5.631) 6.179 29.377 ( 0.000 -2.543 5.631) 6.179 30.292 ( 0.000 6.223 -8.162) 10.264 30.292 ( 0.000 6.223 8.162) 10.264 31.386 ( 0.000 28.931 -9.128) 30.337 31.386 ( 0.000 28.931 9.128) 30.337 31.608 ( 0.000 20.887 -12.193) 24.185 31.608 ( 0.000 20.887 12.193) 24.185 33.247 ( 0.000 -2.130 -8.621) 8.880 33.247 ( 0.000 -2.130 8.621) 8.880 34.397 ( 0.000 -16.667 -18.478) 24.884 34.397 ( 0.000 -16.667 18.478) 24.884 35.304 ( 0.000 6.433 -8.941) 11.014 35.304 ( 0.000 6.433 8.941) 11.014 35.777 ( 0.000 -0.829 -22.544) 22.559 35.777 ( 0.000 -0.829 22.544) 22.559 ======================= Grid point 352 (116/126) ======================= q-point: ( 0.20 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 0.206 6.413 -5.523) 8.466 2.018 ( 0.206 6.413 5.523) 8.466 2.850 ( -0.791 -0.357 -3.344) 3.455 2.850 ( -0.791 -0.357 3.344) 3.455 3.531 ( 0.003 -5.497 -3.166) 6.344 3.531 ( 0.003 -5.497 3.166) 6.344 5.525 ( -9.267 5.810 -5.333) 12.169 5.525 ( -9.267 5.810 5.333) 12.169 6.386 ( 20.186 -7.756 -11.081) 24.298 6.386 ( 20.186 -7.756 11.081) 24.298 7.259 ( -6.811 17.979 -8.881) 21.178 7.259 ( -6.811 17.979 8.881) 21.178 8.493 ( -3.128 21.764 -15.252) 26.760 8.493 ( -3.128 21.764 15.252) 26.760 8.963 ( -2.740 27.241 -4.670) 27.774 8.963 ( -2.740 27.241 4.670) 27.774 9.284 ( 3.574 27.422 -12.180) 30.217 9.284 ( 3.574 27.422 12.180) 30.217 11.207 ( 2.108 -8.528 -8.183) 12.005 11.207 ( 2.108 -8.528 8.183) 12.005 11.990 ( -14.429 -8.587 -9.433) 19.259 11.990 ( -14.429 -8.587 9.433) 19.259 12.587 ( 11.953 0.530 -17.334) 21.062 12.587 ( 11.953 0.530 17.334) 21.062 14.086 ( -4.488 -4.469 -19.994) 20.973 14.086 ( -4.488 -4.469 19.994) 20.973 14.638 ( 7.038 15.400 -17.399) 24.278 14.638 ( 7.038 15.400 17.399) 24.278 15.346 ( -8.056 4.117 -9.057) 12.801 15.346 ( -8.056 4.117 9.057) 12.801 15.757 ( 5.206 7.616 -16.886) 19.242 15.757 ( 5.206 7.616 16.886) 19.242 17.102 ( 0.806 -22.035 -9.582) 24.042 17.102 ( 0.806 -22.035 9.582) 24.042 17.793 ( 1.124 -15.488 -3.584) 15.937 17.793 ( 1.124 -15.488 3.584) 15.937 18.981 ( -8.769 -16.582 -9.008) 20.809 18.981 ( -8.769 -16.582 9.008) 20.809 19.615 ( 10.908 -13.803 -1.586) 17.664 19.615 ( 10.908 -13.803 1.586) 17.664 20.459 ( -14.187 1.885 -11.007) 18.055 20.459 ( -14.187 1.885 11.007) 18.055 21.036 ( 11.733 11.969 -7.545) 18.381 21.036 ( 11.733 11.969 7.545) 18.381 22.499 ( -8.466 -0.397 -8.320) 11.877 22.499 ( -8.466 -0.397 8.320) 11.877 22.860 ( 9.444 3.823 -8.297) 13.140 22.860 ( 9.444 3.823 8.297) 13.140 24.508 ( -12.053 -2.669 -5.397) 13.473 24.508 ( -12.053 -2.669 5.397) 13.473 25.026 ( 13.551 2.530 -0.865) 13.812 25.026 ( 13.551 2.530 0.865) 13.812 26.775 ( -14.421 -11.597 -5.525) 19.312 26.775 ( -14.421 -11.597 5.525) 19.312 27.556 ( 10.656 -29.036 -8.171) 31.991 27.556 ( 10.656 -29.036 8.171) 31.991 29.363 ( -1.337 -1.726 -4.313) 4.834 29.363 ( -1.337 -1.726 4.313) 4.834 30.290 ( -0.215 5.150 -6.760) 8.501 30.290 ( -0.215 5.150 6.760) 8.501 31.346 ( -3.129 29.544 -6.616) 30.437 31.346 ( -3.129 29.544 6.616) 30.437 31.637 ( 2.181 21.558 -7.699) 22.996 31.637 ( 2.181 21.558 7.699) 22.996 33.256 ( 0.861 -3.367 -8.354) 9.049 33.256 ( 0.861 -3.367 8.354) 9.049 34.409 ( 1.205 -16.139 -16.378) 23.025 34.409 ( 1.205 -16.139 16.378) 23.025 35.319 ( 1.407 6.604 -8.231) 10.647 35.319 ( 1.407 6.604 8.231) 10.647 35.758 ( -1.786 -0.994 -20.035) 20.139 35.758 ( -1.786 -0.994 20.035) 20.139 ======================= Grid point 354 (117/126) ======================= q-point: ( 0.40 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 0.131 6.571 -5.008) 8.263 2.022 ( 0.131 6.571 5.008) 8.263 2.837 ( -0.512 0.240 -1.449) 1.555 2.837 ( -0.512 0.240 1.449) 1.555 3.531 ( -0.010 -5.058 -1.860) 5.389 3.531 ( -0.010 -5.058 1.860) 5.389 5.412 ( -2.919 2.796 -1.799) 4.424 5.412 ( -2.919 2.796 1.799) 4.424 6.691 ( 9.571 -5.080 -10.019) 14.758 6.691 ( 9.571 -5.080 10.019) 14.758 7.165 ( -2.066 16.907 -3.887) 17.470 7.165 ( -2.066 16.907 3.887) 17.470 8.380 ( -5.977 25.248 -5.893) 26.607 8.380 ( -5.977 25.248 5.893) 26.607 8.985 ( 2.770 23.348 -2.729) 23.669 8.985 ( 2.770 23.348 2.729) 23.669 9.306 ( -0.455 29.221 -6.060) 29.846 9.306 ( -0.455 29.221 6.060) 29.846 11.259 ( 2.608 -11.161 -4.841) 12.442 11.259 ( 2.608 -11.161 4.841) 12.443 11.776 ( -7.238 -9.640 -3.260) 12.488 11.776 ( -7.238 -9.640 3.260) 12.488 12.748 ( 4.823 4.127 -18.952) 19.986 12.748 ( 4.823 4.127 18.952) 19.987 14.011 ( -2.625 -1.002 -6.265) 6.867 14.011 ( -2.625 -1.002 6.265) 6.867 14.775 ( 5.909 15.136 -8.986) 18.568 14.775 ( 5.909 15.136 8.986) 18.568 15.202 ( -5.946 -0.306 -6.654) 8.929 15.202 ( -5.946 -0.306 6.654) 8.929 15.829 ( 2.173 9.169 -10.386) 14.023 15.829 ( 2.173 9.169 10.386) 14.023 17.122 ( 0.940 -22.140 -7.976) 23.552 17.122 ( 0.940 -22.140 7.976) 23.552 17.808 ( 0.318 -15.875 -3.938) 16.360 17.808 ( 0.318 -15.875 3.938) 16.360 18.853 ( -3.990 -17.648 -5.098) 18.798 18.853 ( -3.990 -17.648 5.098) 18.798 19.820 ( 9.576 -9.394 -5.883) 14.648 19.820 ( 9.576 -9.394 5.883) 14.648 20.213 ( -10.755 -3.322 -8.106) 13.872 20.213 ( -10.755 -3.322 8.106) 13.872 21.204 ( 5.332 14.785 -7.855) 17.570 21.204 ( 5.332 14.785 7.855) 17.570 22.380 ( -3.767 -3.107 -6.131) 7.838 22.380 ( -3.767 -3.107 6.131) 7.838 22.995 ( 4.343 6.029 -5.500) 9.245 22.995 ( 4.343 6.029 5.500) 9.245 24.341 ( -5.156 -4.018 -6.129) 8.960 24.341 ( -5.156 -4.018 6.129) 8.960 25.225 ( 6.627 4.151 -1.917) 8.051 25.225 ( 6.627 4.151 1.917) 8.051 26.549 ( -7.782 -13.122 -5.914) 16.362 26.549 ( -7.782 -13.122 5.914) 16.362 27.708 ( 4.715 -29.063 -4.776) 29.828 27.708 ( 4.715 -29.063 4.776) 29.828 29.340 ( -0.877 -0.281 -1.500) 1.760 29.340 ( -0.877 -0.281 1.500) 1.760 30.285 ( -0.262 3.455 -4.308) 5.528 30.285 ( -0.262 3.455 4.308) 5.528 31.303 ( -1.258 30.939 -5.478) 31.446 31.303 ( -1.258 30.939 5.478) 31.446 31.665 ( 0.775 22.120 -3.164) 22.359 31.665 ( 0.775 22.120 3.164) 22.359 33.271 ( 0.503 -5.258 -8.091) 9.662 33.271 ( 0.503 -5.258 8.091) 9.662 34.431 ( 0.789 -15.352 -12.288) 19.680 34.431 ( 0.789 -15.352 12.288) 19.680 35.345 ( 1.008 7.034 -4.439) 8.378 35.345 ( 1.008 7.034 4.439) 8.378 35.725 ( -1.264 -1.391 -12.562) 12.701 35.725 ( -1.264 -1.391 12.562) 12.701 ======================= Grid point 360 (118/126) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.000 5.701 -6.295) 8.493 2.143 ( 0.000 5.701 6.295) 8.493 2.846 ( 0.000 -0.529 -3.512) 3.551 2.846 ( 0.000 -0.529 3.512) 3.551 3.430 ( 0.000 -3.756 -4.348) 5.746 3.430 ( 0.000 -3.756 4.348) 5.746 5.843 ( 0.000 -13.392 -11.218) 17.469 5.843 ( 0.000 -13.392 11.218) 17.469 5.989 ( 0.000 17.826 -10.055) 20.467 5.989 ( 0.000 17.826 10.055) 20.467 7.732 ( 0.000 20.118 -16.939) 26.300 7.732 ( 0.000 20.118 16.939) 26.300 8.862 ( 0.000 15.146 -22.374) 27.018 8.862 ( 0.000 15.146 22.374) 27.018 9.523 ( 0.000 17.120 -11.493) 20.619 9.523 ( 0.000 17.120 11.493) 20.619 9.886 ( 0.000 33.357 -10.683) 35.026 9.886 ( 0.000 33.357 10.683) 35.026 10.976 ( 0.000 -9.243 -10.077) 13.674 10.976 ( 0.000 -9.243 10.077) 13.674 12.178 ( 0.000 -0.976 -17.962) 17.988 12.178 ( 0.000 -0.976 17.962) 17.988 12.428 ( 0.000 9.159 -15.051) 17.619 12.428 ( 0.000 9.159 15.051) 17.619 13.968 ( 0.000 -7.685 -29.384) 30.372 13.968 ( 0.000 -7.685 29.384) 30.372 14.807 ( 0.000 4.927 -23.274) 23.790 14.807 ( 0.000 4.927 23.274) 23.790 15.690 ( 0.000 17.500 -20.352) 26.841 15.690 ( 0.000 17.500 20.352) 26.841 15.794 ( 0.000 3.774 -31.106) 31.334 15.794 ( 0.000 3.774 31.106) 31.334 16.681 ( 0.000 -16.164 -13.181) 20.857 16.681 ( 0.000 -16.164 13.181) 20.857 17.438 ( 0.000 -17.554 -5.417) 18.371 17.438 ( 0.000 -17.554 5.417) 18.371 18.772 ( 0.000 -15.689 -13.799) 20.894 18.772 ( 0.000 -15.689 13.799) 20.894 19.056 ( 0.000 -25.083 -8.766) 26.571 19.056 ( 0.000 -25.083 8.766) 26.571 20.760 ( 0.000 4.508 -13.127) 13.880 20.760 ( 0.000 4.508 13.127) 13.880 21.014 ( 0.000 5.512 -9.418) 10.912 21.014 ( 0.000 5.512 9.418) 10.912 22.566 ( 0.000 -5.226 -7.748) 9.346 22.566 ( 0.000 -5.226 7.748) 9.346 22.882 ( 0.000 11.067 -12.658) 16.814 22.882 ( 0.000 11.067 12.658) 16.814 24.561 ( 0.000 -9.750 -13.451) 16.613 24.561 ( 0.000 -9.750 13.451) 16.613 24.948 ( 0.000 8.720 -7.605) 11.570 24.948 ( 0.000 8.720 7.605) 11.570 26.796 ( 0.000 -6.236 -13.923) 15.256 26.796 ( 0.000 -6.236 13.923) 15.256 26.797 ( 0.000 -28.122 -13.794) 31.323 26.797 ( 0.000 -28.122 13.794) 31.323 29.329 ( 0.000 -2.218 -6.199) 6.584 29.329 ( 0.000 -2.218 6.199) 6.584 30.440 ( 0.000 7.754 -7.859) 11.041 30.440 ( 0.000 7.754 7.859) 11.041 31.904 ( 0.000 20.619 -13.407) 24.594 31.904 ( 0.000 20.619 13.407) 24.594 32.033 ( 0.000 19.694 -14.370) 24.379 32.033 ( 0.000 19.694 14.370) 24.379 33.236 ( 0.000 1.563 -13.484) 13.574 33.236 ( 0.000 1.563 13.484) 13.574 34.013 ( 0.000 -19.738 -17.597) 26.443 34.013 ( 0.000 -19.738 17.597) 26.443 35.436 ( 0.000 6.139 -11.978) 13.459 35.436 ( 0.000 6.139 11.978) 13.459 35.771 ( 0.000 0.160 -20.707) 20.708 35.771 ( 0.000 0.160 20.707) 20.708 ======================= Grid point 362 (119/126) ======================= q-point: ( 0.20 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 0.282 5.685 -5.943) 8.229 2.146 ( 0.282 5.685 5.943) 8.229 2.843 ( -0.260 -0.343 -2.868) 2.900 2.843 ( -0.260 -0.343 2.868) 2.900 3.435 ( 0.412 -3.640 -4.017) 5.436 3.435 ( 0.412 -3.640 4.017) 5.436 5.630 ( -10.545 2.382 -5.169) 11.982 5.630 ( -10.545 2.382 5.169) 11.982 6.299 ( 19.905 1.013 -7.768) 21.391 6.299 ( 19.905 1.013 7.768) 21.391 7.666 ( -5.931 21.259 -12.531) 25.381 7.666 ( -5.931 21.259 12.531) 25.381 8.828 ( -3.825 12.590 -13.198) 18.637 8.828 ( -3.825 12.590 13.198) 18.637 9.544 ( 2.394 23.977 -8.121) 25.427 9.544 ( 2.394 23.977 8.121) 25.427 9.894 ( 0.450 30.291 -8.583) 31.487 9.894 ( 0.450 30.291 8.583) 31.487 10.975 ( -0.154 -11.924 -8.729) 14.779 10.975 ( -0.154 -11.924 8.729) 14.779 11.934 ( -15.403 3.525 -9.487) 18.431 11.934 ( -15.403 3.525 9.487) 18.431 12.657 ( 14.137 5.647 -12.954) 19.989 12.657 ( 14.137 5.647 12.954) 19.989 13.947 ( -2.082 -7.377 -21.291) 22.629 13.947 ( -2.082 -7.377 21.291) 22.629 14.850 ( 4.502 3.534 -16.917) 17.859 14.850 ( 4.502 3.534 16.917) 17.859 15.549 ( -9.384 14.914 -12.479) 21.592 15.549 ( -9.384 14.914 12.479) 21.592 15.926 ( 8.188 8.923 -14.175) 18.644 15.926 ( 8.188 8.923 14.175) 18.644 16.692 ( 1.212 -15.948 -12.256) 20.150 16.692 ( 1.212 -15.948 12.256) 20.150 17.438 ( -0.115 -18.442 -6.444) 19.536 17.438 ( -0.115 -18.442 6.444) 19.536 18.619 ( -10.860 -18.609 -7.944) 22.964 18.619 ( -10.860 -18.609 7.944) 22.964 19.230 ( 13.372 -22.590 -3.394) 26.470 19.230 ( 13.372 -22.590 3.394) 26.470 20.522 ( -16.956 3.606 -11.866) 21.007 20.522 ( -16.956 3.606 11.866) 21.007 21.229 ( 14.492 6.709 -7.062) 17.462 21.229 ( 14.492 6.709 7.062) 17.462 22.447 ( -9.462 -3.718 -7.926) 12.891 22.447 ( -9.462 -3.718 7.926) 12.891 23.010 ( 10.267 9.610 -10.223) 17.386 23.010 ( 10.267 9.610 10.223) 17.386 24.414 ( -11.508 -6.658 -12.900) 18.525 24.414 ( -11.508 -6.658 12.900) 18.525 25.101 ( 12.273 4.845 -4.739) 14.020 25.101 ( 12.273 4.845 4.739) 14.020 26.518 ( -14.896 -13.835 -6.507) 21.345 26.518 ( -14.896 -13.835 6.507) 21.345 27.039 ( 11.183 -19.803 -5.879) 23.490 27.039 ( 11.183 -19.803 5.879) 23.490 29.322 ( -0.655 -2.183 -4.934) 5.435 29.322 ( -0.655 -2.183 4.934) 5.435 30.424 ( -1.478 7.338 -6.383) 9.837 30.424 ( -1.478 7.338 6.383) 9.837 31.875 ( -1.950 21.008 -8.019) 22.571 31.875 ( -1.950 21.008 8.019) 22.571 32.075 ( 3.188 20.395 -7.405) 21.930 32.075 ( 3.188 20.395 7.405) 21.930 33.214 ( -1.978 -0.256 -10.855) 11.037 33.214 ( -1.978 -0.256 10.855) 11.037 34.040 ( 2.475 -18.830 -13.695) 23.415 34.040 ( 2.475 -18.830 13.695) 23.415 35.449 ( 1.247 5.773 -11.041) 12.522 35.449 ( 1.247 5.773 11.041) 12.522 35.754 ( -1.646 0.509 -18.145) 18.226 35.754 ( -1.646 0.509 18.145) 18.226 ======================= Grid point 364 (120/126) ======================= q-point: ( 0.40 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.173 5.652 -5.320) 7.763 2.151 ( 0.173 5.652 5.320) 7.763 2.839 ( -0.155 -0.026 -1.175) 1.186 2.839 ( -0.155 -0.026 1.175) 1.186 3.441 ( 0.207 -3.467 -3.455) 4.899 3.441 ( 0.207 -3.467 3.455) 4.899 5.508 ( -3.033 5.676 -1.887) 6.706 5.508 ( -3.033 5.676 1.887) 6.706 6.589 ( 9.285 -4.136 -10.960) 14.948 6.589 ( 9.285 -4.136 10.960) 14.948 7.571 ( -3.095 21.901 -5.945) 22.903 7.571 ( -3.095 21.901 5.945) 22.903 8.745 ( -3.637 12.978 -8.072) 15.710 8.745 ( -3.637 12.978 8.072) 15.710 9.597 ( 2.368 30.790 -5.119) 31.303 9.597 ( 2.368 30.790 5.119) 31.302 9.893 ( -0.384 26.305 -4.866) 26.754 9.893 ( -0.384 26.305 4.866) 26.754 10.969 ( -0.348 -16.686 -3.830) 17.124 10.969 ( -0.348 -16.686 3.830) 17.124 11.730 ( -5.850 6.667 -4.112) 9.777 11.730 ( -5.850 6.667 4.112) 9.777 12.844 ( 5.398 4.385 -12.497) 14.302 12.844 ( 5.398 4.385 12.497) 14.302 13.909 ( -1.396 -6.557 -7.835) 10.311 13.909 ( -1.396 -6.557 7.835) 10.311 14.946 ( 4.380 -0.687 -6.566) 7.923 14.946 ( 4.380 -0.687 6.566) 7.923 15.398 ( -5.664 19.018 -9.085) 21.824 15.398 ( -5.664 19.018 9.085) 21.824 16.038 ( 3.325 11.072 -9.164) 14.753 16.038 ( 3.325 11.072 9.164) 14.753 16.718 ( 1.161 -15.607 -11.475) 19.406 16.718 ( 1.161 -15.607 11.475) 19.406 17.432 ( -0.433 -19.995 -8.003) 21.542 17.432 ( -0.433 -19.995 8.003) 21.542 18.466 ( -4.675 -19.913 -5.247) 21.117 18.466 ( -4.675 -19.913 5.247) 21.117 19.453 ( 8.564 -23.366 -3.740) 25.165 19.453 ( 8.564 -23.366 3.740) 25.165 20.251 ( -10.028 4.368 -11.426) 15.818 20.251 ( -10.028 4.368 11.426) 15.818 21.443 ( 7.124 8.372 -5.679) 12.373 21.443 ( 7.124 8.372 5.679) 12.373 22.296 ( -5.374 -4.680 -6.949) 9.953 22.296 ( -5.374 -4.680 6.949) 9.953 23.172 ( 5.621 10.567 -5.481) 13.164 23.172 ( 5.621 10.567 5.481) 13.164 24.237 ( -6.047 -6.591 -13.914) 16.540 24.237 ( -6.047 -6.591 13.914) 16.540 25.299 ( 7.135 3.128 -4.913) 9.210 25.299 ( 7.135 3.128 4.914) 9.210 26.291 ( -7.896 -11.612 -9.337) 16.864 26.291 ( -7.896 -11.612 9.337) 16.864 27.187 ( 4.357 -20.995 -6.114) 22.297 27.187 ( 4.357 -20.995 6.114) 22.297 29.310 ( -0.395 -2.102 -1.839) 2.820 29.310 ( -0.395 -2.102 1.839) 2.820 30.398 ( -1.003 6.695 -3.313) 7.537 30.398 ( -1.003 6.695 3.313) 7.537 31.852 ( -0.510 21.575 -5.617) 22.300 31.852 ( -0.510 21.575 5.617) 22.300 32.119 ( 1.293 21.605 -2.010) 21.736 32.119 ( 1.293 21.605 2.010) 21.736 33.182 ( -1.099 -2.928 -6.889) 7.566 33.182 ( -1.099 -2.928 6.889) 7.566 34.082 ( 1.438 -17.695 -5.429) 18.565 34.082 ( 1.438 -17.695 5.429) 18.565 35.473 ( 0.962 5.059 -6.175) 8.040 35.473 ( 0.962 5.059 6.175) 8.040 35.723 ( -1.218 1.203 -8.784) 8.949 35.723 ( -1.218 1.203 8.784) 8.949 ======================= Grid point 370 (121/126) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 0.000 3.344 -4.795) 5.846 2.237 ( 0.000 3.344 4.795) 5.846 2.838 ( 0.000 -0.281 -3.141) 3.154 2.838 ( 0.000 -0.281 3.141) 3.154 3.380 ( 0.000 -1.270 -4.232) 4.418 3.380 ( 0.000 -1.270 4.232) 4.418 5.603 ( 0.000 -9.625 -7.687) 12.318 5.603 ( 0.000 -9.625 7.687) 12.318 6.350 ( 0.000 16.158 -9.873) 18.935 6.350 ( 0.000 16.157 9.873) 18.935 8.148 ( 0.000 20.138 -20.522) 28.752 8.148 ( 0.000 20.138 20.522) 28.752 9.117 ( 0.000 9.440 -17.021) 19.464 9.117 ( 0.000 9.440 17.021) 19.464 9.616 ( 0.000 -7.569 -6.269) 9.828 9.616 ( 0.000 -7.569 6.269) 9.828 10.480 ( 0.000 23.251 -14.540) 27.423 10.480 ( 0.000 23.251 14.540) 27.423 10.932 ( 0.000 4.644 -10.921) 11.868 10.932 ( 0.000 4.644 10.921) 11.868 12.172 ( 0.000 0.143 -24.952) 24.952 12.172 ( 0.000 0.143 24.952) 24.952 12.697 ( 0.000 15.289 -15.800) 21.986 12.697 ( 0.000 15.289 15.800) 21.986 13.842 ( 0.000 -4.350 -20.876) 21.325 13.842 ( 0.000 -4.350 20.876) 21.325 14.807 ( 0.000 -3.425 -15.799) 16.166 14.807 ( 0.000 -3.425 15.799) 16.166 15.787 ( 0.000 -4.734 -37.073) 37.374 15.787 ( 0.000 -4.734 37.073) 37.374 16.090 ( 0.000 19.682 -23.592) 30.724 16.090 ( 0.000 19.682 23.592) 30.725 16.539 ( 0.000 3.314 -14.029) 14.416 16.539 ( 0.000 3.314 14.029) 14.416 17.092 ( 0.000 -15.541 -9.942) 18.449 17.092 ( 0.000 -15.541 9.942) 18.449 18.474 ( 0.000 -12.756 -15.775) 20.287 18.474 ( 0.000 -12.756 15.775) 20.287 18.500 ( 0.000 -27.996 -11.052) 30.098 18.500 ( 0.000 -27.996 11.052) 30.098 20.832 ( 0.000 2.474 -7.630) 8.021 20.832 ( 0.000 2.474 7.630) 8.021 21.088 ( 0.000 2.050 -9.560) 9.777 21.088 ( 0.000 2.050 9.560) 9.777 22.483 ( 0.000 -2.852 -7.271) 7.810 22.483 ( 0.000 -2.852 7.271) 7.810 23.088 ( 0.000 8.545 -11.155) 14.052 23.088 ( 0.000 8.545 11.155) 14.052 24.353 ( 0.000 -9.799 -14.976) 17.897 24.353 ( 0.000 -9.799 14.976) 17.897 25.135 ( 0.000 9.395 -7.346) 11.926 25.135 ( 0.000 9.395 7.346) 11.926 26.285 ( 0.000 -21.562 -13.776) 25.587 26.285 ( 0.000 -21.562 13.776) 25.587 26.709 ( 0.000 -2.419 -17.057) 17.227 26.709 ( 0.000 -2.419 17.057) 17.227 29.289 ( 0.000 -1.587 -6.486) 6.677 29.289 ( 0.000 -1.587 6.486) 6.677 30.589 ( 0.000 6.383 -7.427) 9.793 30.589 ( 0.000 6.383 7.427) 9.793 32.208 ( 0.000 9.375 -17.625) 19.963 32.208 ( 0.000 9.375 17.625) 19.963 32.383 ( 0.000 13.991 -17.027) 22.038 32.383 ( 0.000 13.991 17.027) 22.038 33.312 ( 0.000 5.177 -17.834) 18.570 33.312 ( 0.000 5.177 17.834) 18.570 33.636 ( 0.000 -16.137 -16.480) 23.065 33.636 ( 0.000 -16.137 16.480) 23.065 35.544 ( 0.000 4.202 -13.955) 14.574 35.544 ( 0.000 4.202 13.955) 14.574 35.777 ( 0.000 0.351 -17.231) 17.235 35.777 ( 0.000 0.351 17.231) 17.235 ======================= Grid point 372 (122/126) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.187 3.280 -4.494) 5.567 2.239 ( 0.187 3.280 4.494) 5.567 2.837 ( -0.023 -0.205 -2.545) 2.553 2.837 ( -0.023 -0.205 2.545) 2.553 3.385 ( 0.453 -1.320 -4.030) 4.265 3.385 ( 0.453 -1.320 4.030) 4.265 5.602 ( 0.152 -3.732 -5.960) 7.033 5.602 ( 0.152 -3.732 5.960) 7.033 6.422 ( 6.598 8.799 -7.129) 13.106 6.422 ( 6.598 8.799 7.129) 13.106 8.102 ( -4.592 20.540 -14.775) 25.716 8.102 ( -4.592 20.540 14.775) 25.716 9.047 ( -4.461 8.709 -5.559) 11.254 9.047 ( -4.461 8.709 5.559) 11.254 9.751 ( 11.039 -2.751 -5.567) 12.665 9.751 ( 11.039 -2.751 5.567) 12.665 10.461 ( -1.719 19.689 -14.239) 24.359 10.461 ( -1.719 19.689 14.239) 24.359 10.851 ( -8.057 4.109 -7.262) 11.599 10.851 ( -8.057 4.109 7.262) 11.599 12.062 ( -8.130 5.543 -17.144) 19.767 12.062 ( -8.130 5.543 17.144) 19.767 12.812 ( 8.578 9.723 -10.443) 16.648 12.812 ( 8.578 9.723 10.443) 16.648 13.830 ( -0.976 -3.346 -15.132) 15.528 13.830 ( -0.976 -3.346 15.132) 15.528 14.828 ( 2.075 -4.183 -12.670) 13.503 14.828 ( 2.075 -4.183 12.670) 13.503 15.781 ( -0.836 3.455 -28.274) 28.496 15.781 ( -0.836 3.455 28.274) 28.496 16.141 ( 4.988 12.870 -24.408) 28.040 16.141 ( 4.988 12.870 24.408) 28.040 16.558 ( 2.001 4.456 -8.416) 9.731 16.558 ( 2.001 4.456 8.416) 9.731 17.073 ( -2.012 -16.230 -10.135) 19.240 17.073 ( -2.012 -16.230 10.135) 19.240 18.225 ( -12.757 -19.818 -7.774) 24.818 18.225 ( -12.757 -19.818 7.774) 24.818 18.756 ( 13.656 -21.800 -3.434) 25.952 18.756 ( 13.656 -21.800 3.434) 25.952 20.588 ( -16.802 2.598 -9.107) 19.287 20.588 ( -16.802 2.598 9.107) 19.287 21.318 ( 15.585 2.411 -6.113) 16.914 21.318 ( 15.585 2.411 6.113) 16.914 22.380 ( -9.357 -2.493 -6.772) 11.817 22.380 ( -9.357 -2.493 6.772) 11.817 23.201 ( 10.247 8.102 -9.492) 16.148 23.201 ( 10.247 8.102 9.492) 16.148 24.250 ( -9.626 -8.510 -15.300) 19.979 24.250 ( -9.626 -8.510 15.300) 19.979 25.224 ( 8.202 7.028 -5.141) 11.962 25.224 ( 8.202 7.028 5.141) 11.962 26.202 ( -7.643 -16.194 -7.817) 19.539 26.202 ( -7.643 -16.194 7.817) 19.539 26.779 ( 6.040 -6.519 -10.803) 13.989 26.779 ( 6.040 -6.519 10.803) 13.989 29.281 ( -0.751 -1.671 -5.207) 5.520 29.281 ( -0.751 -1.671 5.207) 5.520 30.566 ( -2.195 6.008 -5.988) 8.762 30.566 ( -2.195 6.008 5.988) 8.762 32.192 ( -1.132 10.262 -10.209) 14.520 32.192 ( -1.132 10.262 10.209) 14.520 32.431 ( 4.192 13.668 -9.186) 16.993 32.431 ( 4.192 13.668 9.186) 16.993 33.249 ( -5.329 3.090 -11.381) 12.941 33.249 ( -5.329 3.090 11.381) 12.941 33.688 ( 4.277 -14.463 -10.911) 18.615 33.688 ( 4.277 -14.463 10.911) 18.615 35.545 ( 0.076 3.503 -11.854) 12.361 35.545 ( 0.076 3.503 11.854) 12.361 35.772 ( -0.476 1.066 -14.271) 14.319 35.772 ( -0.476 1.066 14.271) 14.319 ======================= Grid point 374 (123/126) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 0.111 3.175 -3.964) 5.080 2.242 ( 0.111 3.175 3.964) 5.080 2.837 ( -0.004 -0.083 -1.002) 1.006 2.837 ( -0.004 -0.083 1.002) 1.006 3.392 ( 0.231 -1.392 -3.696) 3.956 3.392 ( 0.231 -1.392 3.696) 3.956 5.611 ( 0.567 3.996 -2.431) 4.711 5.611 ( 0.567 3.996 2.431) 4.711 6.531 ( 3.775 -1.696 -7.388) 8.468 6.531 ( 3.775 -1.696 7.388) 8.468 8.016 ( -3.260 20.389 -4.865) 21.213 8.016 ( -3.260 20.389 4.865) 21.213 9.006 ( -0.441 13.144 -7.862) 15.322 9.006 ( -0.441 13.144 7.862) 15.322 9.914 ( 4.941 1.563 -4.336) 6.757 9.914 ( 4.941 1.563 4.336) 6.757 10.442 ( 0.177 11.774 -9.974) 15.432 10.442 ( 0.177 11.774 9.974) 15.432 10.695 ( -6.530 4.893 -6.023) 10.142 10.695 ( -6.530 4.893 6.023) 10.142 11.955 ( -2.990 9.495 -11.849) 15.475 11.955 ( -2.990 9.495 11.849) 15.475 12.925 ( 3.079 4.706 -6.335) 8.471 12.925 ( 3.079 4.706 6.335) 8.471 13.817 ( -0.309 -1.377 -4.535) 4.750 13.817 ( -0.309 -1.377 4.535) 4.750 14.868 ( 1.617 -5.546 -7.377) 9.369 14.868 ( 1.617 -5.546 7.377) 9.369 15.761 ( -0.873 13.183 -20.015) 23.982 15.761 ( -0.873 13.183 20.015) 23.982 16.231 ( 3.350 5.500 -39.677) 40.196 16.231 ( 3.350 5.500 39.677) 40.196 16.602 ( 2.007 7.303 -2.274) 7.908 16.602 ( 2.007 7.303 2.274) 7.908 17.027 ( -2.183 -18.179 -11.376) 21.556 17.027 ( -2.183 -18.179 11.376) 21.556 18.051 ( -5.289 -20.473 -8.397) 22.751 18.051 ( -5.289 -20.473 8.397) 22.751 18.957 ( 6.710 -23.251 -2.943) 24.378 18.957 ( 6.710 -23.251 2.943) 24.378 20.337 ( -8.363 3.558 -8.851) 12.686 20.337 ( -8.363 3.558 8.851) 12.686 21.557 ( 8.562 3.329 -3.540) 9.845 21.557 ( 8.562 3.329 3.540) 9.845 22.211 ( -6.779 -3.217 -5.600) 9.363 22.211 ( -6.779 -3.217 5.600) 9.363 23.384 ( 7.237 9.107 -4.652) 12.528 23.384 ( 7.237 9.107 4.652) 12.528 24.074 ( -7.073 -8.616 -16.449) 19.870 24.074 ( -7.073 -8.616 16.449) 19.870 25.370 ( 5.648 4.246 -3.750) 7.999 25.370 ( 5.648 4.246 3.750) 7.999 26.065 ( -5.338 -10.872 -9.485) 15.384 26.065 ( -5.338 -10.872 9.485) 15.384 26.875 ( 3.182 -9.606 -6.246) 11.891 26.875 ( 3.182 -9.606 6.246) 11.891 29.268 ( -0.448 -1.813 -1.972) 2.716 29.268 ( -0.448 -1.813 1.972) 2.716 30.527 ( -1.420 5.434 -2.555) 6.170 30.527 ( -1.420 5.434 2.555) 6.170 32.179 ( -0.270 10.886 -3.831) 11.544 32.179 ( -0.270 10.886 3.831) 11.544 32.499 ( 2.365 14.180 -2.786) 14.644 32.499 ( 2.365 14.180 2.786) 14.644 33.165 ( -2.845 1.400 -3.662) 4.844 33.165 ( -2.845 1.400 3.662) 4.844 33.751 ( 2.006 -13.699 -6.534) 15.309 33.751 ( 2.006 -13.699 6.534) 15.309 35.546 ( 0.046 2.290 -6.233) 6.640 35.546 ( 0.046 2.290 6.233) 6.640 35.764 ( -0.297 2.309 -5.876) 6.321 35.764 ( -0.297 2.309 5.876) 6.321 ======================= Grid point 380 (124/126) ======================= q-point: ( 0.00 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 0.000 1.036 -2.149) 2.385 2.281 ( 0.000 1.036 2.149) 2.385 2.834 ( 0.000 -0.083 -2.949) 2.950 2.834 ( 0.000 -0.083 2.949) 2.950 3.368 ( 0.000 -0.173 -2.421) 2.427 3.368 ( 0.000 -0.173 2.421) 2.427 5.466 ( 0.000 -3.500 -3.446) 4.912 5.466 ( 0.000 -3.500 3.446) 4.912 6.595 ( 0.000 6.674 -10.681) 12.595 6.595 ( 0.000 6.674 10.681) 12.595 8.511 ( 0.000 12.790 -23.308) 26.586 8.511 ( 0.000 12.790 23.308) 26.586 9.242 ( 0.000 2.884 -10.382) 10.775 9.242 ( 0.000 2.884 10.382) 10.775 9.373 ( 0.000 -10.980 -3.863) 11.640 9.373 ( 0.000 -10.980 3.863) 11.640 10.807 ( 0.000 8.303 -16.441) 18.419 10.807 ( 0.000 8.303 16.441) 18.419 11.045 ( 0.000 3.820 -12.102) 12.690 11.045 ( 0.000 3.820 12.102) 12.690 12.171 ( 0.000 -0.285 -18.296) 18.298 12.171 ( 0.000 -0.285 18.296) 18.298 12.964 ( 0.000 8.299 -13.258) 15.642 12.964 ( 0.000 8.299 13.258) 15.642 13.791 ( 0.000 -0.906 -15.523) 15.549 13.791 ( 0.000 -0.907 15.523) 15.549 14.724 ( 0.000 -3.214 -6.912) 7.622 14.724 ( 0.000 -3.214 6.912) 7.622 15.680 ( 0.000 -3.561 -37.899) 38.066 15.680 ( 0.000 -3.561 37.900) 38.066 16.425 ( 0.000 11.215 -32.125) 34.027 16.425 ( 0.000 11.215 32.125) 34.027 16.716 ( 0.000 9.137 -9.046) 12.857 16.716 ( 0.000 9.137 9.046) 12.857 16.833 ( 0.000 -8.818 -11.193) 14.250 16.833 ( 0.000 -8.818 11.193) 14.250 18.004 ( 0.000 -16.622 -8.059) 18.472 18.004 ( 0.000 -16.621 8.059) 18.472 18.282 ( 0.000 -5.289 -17.984) 18.745 18.282 ( 0.000 -5.289 17.984) 18.745 20.864 ( 0.000 0.742 -3.662) 3.737 20.864 ( 0.000 0.742 3.662) 3.737 21.110 ( 0.000 0.382 -8.389) 8.398 21.110 ( 0.000 0.382 8.389) 8.398 22.446 ( 0.000 -0.835 -6.885) 6.936 22.446 ( 0.000 -0.835 6.885) 6.936 23.212 ( 0.000 3.214 -8.946) 9.505 23.212 ( 0.000 3.214 8.946) 9.505 24.200 ( 0.000 -4.267 -14.440) 15.057 24.200 ( 0.000 -4.267 14.440) 15.057 25.310 ( 0.000 6.362 -6.736) 9.265 25.310 ( 0.000 6.362 6.736) 9.265 25.943 ( 0.000 -10.508 -15.290) 18.553 25.943 ( 0.000 -10.508 15.290) 18.553 26.684 ( 0.000 -0.422 -18.298) 18.302 26.684 ( 0.000 -0.422 18.298) 18.302 29.266 ( 0.000 -0.580 -6.592) 6.617 29.266 ( 0.000 -0.580 6.592) 6.617 30.684 ( 0.000 2.513 -7.460) 7.872 30.684 ( 0.000 2.513 7.460) 7.872 32.318 ( 0.000 2.241 -18.939) 19.072 32.318 ( 0.000 2.241 18.940) 19.072 32.585 ( 0.000 5.331 -19.289) 20.012 32.585 ( 0.000 5.331 19.289) 20.012 33.394 ( 0.000 -6.537 -15.780) 17.080 33.394 ( 0.000 -6.537 15.780) 17.080 33.404 ( 0.000 2.838 -18.954) 19.165 33.404 ( 0.000 2.838 18.954) 19.165 35.603 ( 0.000 1.471 -14.903) 14.976 35.603 ( 0.000 1.471 14.903) 14.976 35.783 ( 0.000 0.143 -15.099) 15.099 35.783 ( 0.000 0.143 15.099) 15.099 ======================= Grid point 382 (125/126) ======================= q-point: ( 0.20 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 0.084 1.003 -1.925) 2.172 2.282 ( 0.084 1.003 1.925) 2.172 2.835 ( 0.076 -0.055 -2.385) 2.386 2.835 ( 0.076 -0.055 2.385) 2.386 3.372 ( 0.342 -0.217 -2.146) 2.184 3.372 ( 0.342 -0.217 2.146) 2.184 5.535 ( 6.810 -1.996 -2.754) 7.612 5.535 ( 6.810 -1.996 2.754) 7.612 6.571 ( -2.664 4.318 -8.605) 9.989 6.571 ( -2.664 4.318 8.605) 9.989 8.451 ( -6.171 11.185 -16.487) 20.856 8.451 ( -6.171 11.185 16.487) 20.856 9.164 ( 0.647 2.413 -4.328) 4.997 9.164 ( 0.647 2.413 4.328) 4.997 9.607 ( 15.383 -6.595 -4.088) 17.229 9.607 ( 15.383 -6.595 4.089) 17.229 10.596 ( -17.434 0.378 -18.519) 25.437 10.596 ( -17.434 0.378 18.519) 25.437 11.124 ( 4.200 12.350 -8.055) 15.331 11.124 ( 4.200 12.350 8.055) 15.331 12.082 ( -7.606 -2.097 -15.146) 17.078 12.082 ( -7.606 -2.097 15.146) 17.078 13.009 ( 3.336 6.729 -8.491) 11.336 13.009 ( 3.336 6.729 8.491) 11.336 13.812 ( 2.026 0.699 -11.406) 11.606 13.812 ( 2.026 0.699 11.406) 11.606 14.732 ( 0.963 -3.675 -5.984) 7.088 14.732 ( 0.963 -3.675 5.984) 7.088 15.758 ( 7.609 -2.055 -31.186) 32.167 15.758 ( 7.609 -2.055 31.186) 32.167 16.409 ( -2.039 11.897 -26.638) 29.245 16.409 ( -2.039 11.897 26.638) 29.245 16.664 ( -3.601 -5.144 -16.456) 17.614 16.664 ( -3.601 -5.144 16.456) 17.614 16.902 ( 5.709 4.942 -8.390) 11.288 16.902 ( 5.709 4.942 8.390) 11.288 17.840 ( -12.592 -14.746 -8.982) 21.370 17.840 ( -12.592 -14.746 8.982) 21.370 18.428 ( 10.826 -8.665 -6.836) 15.460 18.428 ( 10.826 -8.665 6.836) 15.460 20.624 ( -16.215 0.892 -5.395) 17.113 20.624 ( -16.215 0.892 5.395) 17.113 21.344 ( 15.964 0.479 -5.191) 16.794 21.344 ( 15.964 0.479 5.191) 16.794 22.347 ( -9.341 -0.730 -5.602) 10.916 22.347 ( -9.341 -0.730 5.602) 10.916 23.317 ( 9.978 2.918 -8.387) 13.357 23.317 ( 9.978 2.918 8.387) 13.357 24.113 ( -8.678 -3.899 -13.610) 16.606 24.113 ( -8.678 -3.899 13.610) 16.606 25.366 ( 5.388 5.455 -5.097) 9.207 25.366 ( 5.388 5.455 5.097) 9.207 25.923 ( -2.327 -9.067 -10.737) 14.245 25.923 ( -2.327 -9.067 10.737) 14.245 26.713 ( 2.867 -1.118 -13.833) 14.171 26.713 ( 2.867 -1.118 13.833) 14.171 29.257 ( -0.880 -0.616 -5.294) 5.402 29.257 ( -0.880 -0.616 5.294) 5.402 30.654 ( -2.787 2.314 -6.014) 7.021 30.654 ( -2.787 2.314 6.014) 7.021 32.318 ( 0.007 2.727 -13.056) 13.338 32.318 ( 0.007 2.727 13.056) 13.338 32.619 ( 3.176 4.608 -13.184) 14.322 32.619 ( 3.176 4.608 13.184) 14.322 33.298 ( -5.101 0.861 -4.292) 6.722 33.298 ( -5.101 0.861 4.292) 6.722 33.492 ( 4.176 -4.229 -6.099) 8.516 33.492 ( 4.176 -4.229 6.100) 8.516 35.592 ( -1.012 1.113 -11.042) 11.144 35.592 ( -1.012 1.113 11.042) 11.144 35.790 ( 0.656 0.519 -11.150) 11.181 35.790 ( 0.656 0.519 11.150) 11.181 ======================= Grid point 384 (126/126) ======================= q-point: ( 0.40 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 0.047 0.949 -1.492) 1.769 2.283 ( 0.047 0.949 1.492) 1.769 2.836 ( 0.054 -0.011 -0.916) 0.917 2.836 ( 0.054 -0.011 0.916) 0.917 3.377 ( 0.173 -0.278 -1.659) 1.691 3.377 ( 0.173 -0.278 1.659) 1.691 5.665 ( 5.277 1.308 -1.256) 5.579 5.665 ( 5.276 1.308 1.256) 5.579 6.511 ( -2.793 -0.465 -4.059) 4.949 6.511 ( -2.793 -0.465 4.059) 4.949 8.340 ( -4.013 9.301 -5.232) 11.401 8.340 ( -4.013 9.301 5.232) 11.401 9.258 ( 5.980 9.505 -8.337) 13.986 9.258 ( 5.980 9.505 8.337) 13.986 9.830 ( 7.190 -6.307 -5.589) 11.078 9.830 ( 7.190 -6.307 5.589) 11.078 10.294 ( -11.681 -6.915 -10.052) 16.891 10.294 ( -11.681 -6.915 10.052) 16.891 11.162 ( 0.487 19.443 -11.293) 22.489 11.162 ( 0.487 19.443 11.293) 22.489 11.965 ( -3.769 -6.043 -13.325) 15.109 11.965 ( -3.769 -6.043 13.325) 15.109 13.049 ( 0.952 5.088 -2.914) 5.940 13.049 ( 0.952 5.088 2.914) 5.940 13.848 ( 1.350 2.798 -3.679) 4.816 13.848 ( 1.350 2.798 3.679) 4.816 14.754 ( 0.961 -4.294 -4.714) 6.449 14.754 ( 0.961 -4.294 4.714) 6.449 15.906 ( 6.342 2.423 -16.073) 17.448 15.906 ( 6.342 2.423 16.073) 17.448 16.347 ( -3.635 7.692 -35.507) 36.512 16.347 ( -3.635 7.692 35.507) 36.512 16.619 ( -1.091 -12.114 -26.413) 29.079 16.619 ( -1.091 -12.114 26.413) 29.079 17.003 ( 4.069 16.846 -13.732) 22.111 17.003 ( 4.069 16.846 13.732) 22.111 17.639 ( -7.190 -18.216 -12.679) 23.330 17.639 ( -7.190 -18.216 12.679) 23.330 18.591 ( 5.447 -10.254 -1.369) 11.691 18.591 ( 5.447 -10.254 1.369) 11.691 20.387 ( -7.636 1.281 -3.935) 8.685 20.387 ( -7.636 1.281 3.935) 8.685 21.597 ( 9.506 0.820 -2.482) 9.859 21.597 ( 9.506 0.820 2.482) 9.859 22.169 ( -7.706 -0.976 -3.174) 8.391 22.169 ( -7.706 -0.976 3.174) 8.391 23.515 ( 9.250 3.340 -6.290) 11.674 23.515 ( 9.250 3.340 6.290) 11.674 23.931 ( -8.811 -4.187 -11.144) 14.810 23.931 ( -8.811 -4.187 11.144) 14.810 25.468 ( 4.226 4.281 -1.223) 6.138 25.468 ( 4.226 4.281 1.223) 6.138 25.866 ( -2.772 -6.999 -5.184) 9.141 25.866 ( -2.772 -6.999 5.184) 9.141 26.765 ( 2.006 -2.078 -5.071) 5.835 26.765 ( 2.006 -2.078 5.071) 5.835 29.242 ( -0.538 -0.684 -1.999) 2.180 29.242 ( -0.538 -0.684 1.999) 2.180 30.606 ( -1.758 2.016 -2.310) 3.534 30.606 ( -1.758 2.016 2.310) 3.534 32.319 ( 0.094 3.256 -4.030) 5.182 32.319 ( 0.094 3.256 4.030) 5.182 32.674 ( 2.043 3.500 -4.065) 5.740 32.674 ( 2.043 3.500 4.065) 5.740 33.226 ( -2.284 3.273 -3.830) 5.532 33.226 ( -2.284 3.273 3.830) 5.532 33.545 ( 1.530 -5.935 -6.349) 8.824 33.545 ( 1.530 -5.935 6.349) 8.824 35.575 ( -0.568 0.663 -4.133) 4.224 35.575 ( -0.568 0.663 4.133) 4.224 35.801 ( 0.348 1.001 -3.965) 4.104 35.801 ( 0.348 1.001 3.965) 4.104 =================== 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 3/47520 10.0 252.946 299.457 244.918 0.000 0.000 0.000 3/47520 20.0 40.848 68.163 61.292 0.000 0.000 0.000 3/47520 30.0 18.913 34.183 34.121 0.000 0.000 0.000 3/47520 40.0 13.367 25.060 25.585 0.000 0.000 0.000 3/47520 50.0 10.935 20.661 21.192 0.000 0.000 0.000 3/47520 60.0 9.564 18.076 18.605 0.000 0.000 0.000 3/47520 70.0 8.686 16.471 16.965 0.000 0.000 0.000 3/47520 80.0 8.069 15.427 15.834 0.000 0.000 0.000 3/47520 90.0 7.602 14.693 14.979 0.000 0.000 0.000 3/47520 100.0 7.227 14.124 14.277 0.000 0.000 0.000 3/47520 110.0 6.910 13.637 13.668 0.000 0.000 0.000 3/47520 120.0 6.632 13.190 13.119 0.000 0.000 0.000 3/47520 130.0 6.383 12.763 12.614 0.000 0.000 0.000 3/47520 140.0 6.154 12.348 12.144 0.000 0.000 0.000 3/47520 150.0 5.942 11.943 11.702 0.000 0.000 0.000 3/47520 160.0 5.743 11.548 11.286 0.000 0.000 0.000 3/47520 170.0 5.556 11.163 10.893 0.000 0.000 0.000 3/47520 180.0 5.378 10.791 10.521 0.000 0.000 0.000 3/47520 190.0 5.209 10.432 10.169 0.000 0.000 0.000 3/47520 200.0 5.048 10.088 9.836 0.000 0.000 0.000 3/47520 210.0 4.895 9.758 9.520 0.000 0.000 0.000 3/47520 220.0 4.749 9.443 9.221 0.000 0.000 0.000 3/47520 230.0 4.609 9.142 8.938 0.000 0.000 0.000 3/47520 240.0 4.476 8.856 8.669 0.000 0.000 0.000 3/47520 250.0 4.350 8.584 8.414 0.000 0.000 0.000 3/47520 260.0 4.229 8.326 8.173 0.000 0.000 0.000 3/47520 270.0 4.114 8.080 7.943 0.000 0.000 0.000 3/47520 280.0 4.004 7.847 7.726 0.000 0.000 0.000 3/47520 290.0 3.899 7.625 7.519 0.000 0.000 0.000 3/47520 300.0 3.798 7.414 7.322 0.000 0.000 0.000 3/47520 310.0 3.702 7.214 7.135 0.000 0.000 0.000 3/47520 320.0 3.611 7.023 6.957 0.000 0.000 0.000 3/47520 330.0 3.523 6.842 6.787 0.000 0.000 0.000 3/47520 340.0 3.440 6.669 6.625 0.000 0.000 0.000 3/47520 350.0 3.359 6.504 6.470 0.000 0.000 0.000 3/47520 360.0 3.283 6.347 6.322 0.000 0.000 0.000 3/47520 370.0 3.209 6.197 6.181 0.000 0.000 0.000 3/47520 380.0 3.139 6.054 6.046 0.000 0.000 0.000 3/47520 390.0 3.071 5.917 5.916 0.000 0.000 0.000 3/47520 400.0 3.006 5.786 5.792 0.000 0.000 0.000 3/47520 410.0 2.943 5.661 5.673 0.000 0.000 0.000 3/47520 420.0 2.883 5.541 5.558 0.000 0.000 0.000 3/47520 430.0 2.826 5.425 5.448 0.000 0.000 0.000 3/47520 440.0 2.770 5.315 5.343 0.000 0.000 0.000 3/47520 450.0 2.717 5.208 5.241 0.000 0.000 0.000 3/47520 460.0 2.665 5.106 5.143 0.000 0.000 0.000 3/47520 470.0 2.616 5.008 5.049 0.000 0.000 0.000 3/47520 480.0 2.568 4.913 4.958 0.000 0.000 0.000 3/47520 490.0 2.521 4.822 4.870 0.000 0.000 0.000 3/47520 500.0 2.477 4.735 4.785 0.000 0.000 0.000 3/47520 510.0 2.434 4.650 4.703 0.000 0.000 0.000 3/47520 520.0 2.392 4.568 4.624 0.000 0.000 0.000 3/47520 530.0 2.352 4.489 4.547 0.000 0.000 0.000 3/47520 540.0 2.312 4.413 4.473 0.000 0.000 0.000 3/47520 550.0 2.275 4.339 4.401 0.000 0.000 0.000 3/47520 560.0 2.238 4.268 4.332 0.000 0.000 0.000 3/47520 570.0 2.203 4.199 4.264 0.000 0.000 0.000 3/47520 580.0 2.168 4.132 4.199 0.000 0.000 0.000 3/47520 590.0 2.135 4.067 4.136 0.000 0.000 0.000 3/47520 600.0 2.102 4.005 4.074 0.000 0.000 0.000 3/47520 610.0 2.071 3.944 4.014 0.000 0.000 0.000 3/47520 620.0 2.040 3.885 3.956 0.000 0.000 0.000 3/47520 630.0 2.011 3.827 3.900 0.000 0.000 0.000 3/47520 640.0 1.982 3.772 3.845 0.000 0.000 0.000 3/47520 650.0 1.954 3.718 3.792 0.000 0.000 0.000 3/47520 660.0 1.927 3.665 3.740 0.000 0.000 0.000 3/47520 670.0 1.900 3.614 3.689 0.000 0.000 0.000 3/47520 680.0 1.874 3.564 3.640 0.000 0.000 0.000 3/47520 690.0 1.849 3.516 3.592 0.000 0.000 0.000 3/47520 700.0 1.825 3.469 3.546 0.000 0.000 0.000 3/47520 710.0 1.801 3.423 3.500 0.000 0.000 0.000 3/47520 720.0 1.778 3.378 3.456 0.000 0.000 0.000 3/47520 730.0 1.755 3.335 3.412 0.000 0.000 0.000 3/47520 740.0 1.733 3.292 3.370 0.000 0.000 0.000 3/47520 750.0 1.711 3.251 3.329 0.000 0.000 0.000 3/47520 760.0 1.690 3.211 3.289 0.000 0.000 0.000 3/47520 770.0 1.670 3.171 3.250 0.000 0.000 0.000 3/47520 780.0 1.650 3.133 3.211 0.000 0.000 0.000 3/47520 790.0 1.630 3.096 3.174 0.000 0.000 0.000 3/47520 800.0 1.611 3.059 3.137 0.000 0.000 0.000 3/47520 810.0 1.592 3.023 3.101 0.000 0.000 0.000 3/47520 820.0 1.574 2.988 3.066 0.000 0.000 0.000 3/47520 830.0 1.556 2.954 3.032 0.000 0.000 0.000 3/47520 840.0 1.539 2.921 2.999 0.000 0.000 0.000 3/47520 850.0 1.522 2.888 2.966 0.000 0.000 0.000 3/47520 860.0 1.505 2.856 2.934 0.000 0.000 0.000 3/47520 870.0 1.489 2.825 2.902 0.000 0.000 0.000 3/47520 880.0 1.473 2.794 2.872 0.000 0.000 0.000 3/47520 890.0 1.457 2.764 2.842 0.000 0.000 0.000 3/47520 900.0 1.442 2.735 2.812 0.000 0.000 0.000 3/47520 910.0 1.427 2.707 2.783 0.000 0.000 0.000 3/47520 920.0 1.412 2.678 2.755 0.000 0.000 0.000 3/47520 930.0 1.397 2.651 2.727 0.000 0.000 0.000 3/47520 940.0 1.383 2.624 2.700 0.000 0.000 0.000 3/47520 950.0 1.369 2.598 2.673 0.000 0.000 0.000 3/47520 960.0 1.356 2.572 2.647 0.000 0.000 0.000 3/47520 970.0 1.342 2.546 2.621 0.000 0.000 0.000 3/47520 980.0 1.329 2.521 2.596 0.000 0.000 0.000 3/47520 990.0 1.317 2.497 2.572 0.000 0.000 0.000 3/47520 1000.0 1.304 2.473 2.547 0.000 0.000 0.000 3/47520 Thermal conductivity related properties were written into "kappa-m51112.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:20:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|