----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:11:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.602334914467974 0.000000000000000 0.000000000000000 b -2.801167457233987 4.851764356437785 0.000000000000000 c 0.000000000000000 0.000000000000000 13.705072339999999 Atomic positions (fractional): *1 K 0.66666666666667 0.33333333333333 0.41151728852362 39.098 *2 K 0.00000000000000 0.00000000000000 0.74791320784172 39.098 *3 K 0.66666666666667 0.33333333333333 0.10444418055866 39.098 4 K 0.00000000000000 0.00000000000000 0.25208679215828 39.098 5 K 0.33333333333333 0.66666666666667 0.58848271147638 39.098 6 K 0.33333333333333 0.66666666666667 0.89555581944134 39.098 *7 Li 0.66666666666667 0.33333333333333 0.85648759710174 6.941 8 Li 0.33333333333333 0.66666666666667 0.14351240289826 6.941 *9 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 *10 Al 0.33333333333333 0.66666666666667 0.33871443280527 26.982 11 Al 0.66666666666667 0.33333333333333 0.66128556719473 26.982 *12 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 *13 F 0.84556416551423 0.15443583448577 0.92381446846979 18.998 *14 F 0.48205924166096 0.96411848332193 0.25719530580873 18.998 15 F 0.51794075833903 0.03588151667807 0.74280469419127 18.998 16 F 0.15443583448577 0.84556416551423 0.07618553153021 18.998 *17 F 0.64308684516013 0.82154342258007 0.41351273201053 18.998 18 F 0.69112833102846 0.84556416551423 0.07618553153021 18.998 19 F 0.82154342258007 0.64308684516013 0.58648726798947 18.998 20 F 0.17845657741993 0.35691315483987 0.41351273201053 18.998 21 F 0.30887166897154 0.15443583448577 0.92381446846979 18.998 22 F 0.03588151667807 0.51794075833903 0.25719530580873 18.998 23 F 0.96411848332193 0.48205924166096 0.74280469419127 18.998 24 F 0.48205924166096 0.51794075833903 0.25719530580873 18.998 25 F 0.51794075833903 0.48205924166096 0.74280469419127 18.998 26 F 0.84556416551423 0.69112833102846 0.92381446846979 18.998 27 F 0.82154342258007 0.17845657741993 0.58648726798947 18.998 28 F 0.17845657741993 0.82154342258007 0.41351273201053 18.998 29 F 0.35691315483987 0.17845657741993 0.58648726798947 18.998 30 F 0.15443583448577 0.30887166897154 0.07618553153021 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.602334914467974 0.000000000000000 0.000000000000000 b -2.801167457233987 4.851764356437785 0.000000000000000 c 0.000000000000000 0.000000000000000 13.705072339999999 Atomic positions (fractional): *1 K 0.66666666666667 0.33333333333333 0.41151728852362 39.098 > 1 *2 K 0.00000000000000 0.00000000000000 0.74791320784172 39.098 > 2 *3 K 0.66666666666667 0.33333333333333 0.10444418055866 39.098 > 3 4 K 0.00000000000000 0.00000000000000 0.25208679215828 39.098 > 4 5 K 0.33333333333333 0.66666666666667 0.58848271147638 39.098 > 5 6 K 0.33333333333333 0.66666666666667 0.89555581944134 39.098 > 6 *7 Li 0.66666666666667 0.33333333333333 0.85648759710174 6.941 > 7 8 Li 0.33333333333333 0.66666666666667 0.14351240289826 6.941 > 8 *9 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 9 *10 Al 0.33333333333333 0.66666666666667 0.33871443280527 26.982 > 10 11 Al 0.66666666666667 0.33333333333333 0.66128556719473 26.982 > 11 *12 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 12 *13 F 0.84556416551423 0.15443583448577 0.92381446846979 18.998 > 13 *14 F 0.48205924166096 0.96411848332193 0.25719530580873 18.998 > 14 15 F 0.51794075833903 0.03588151667807 0.74280469419127 18.998 > 15 16 F 0.15443583448577 0.84556416551423 0.07618553153021 18.998 > 16 *17 F 0.64308684516013 0.82154342258007 0.41351273201053 18.998 > 17 18 F 0.69112833102846 0.84556416551423 0.07618553153021 18.998 > 18 19 F 0.82154342258007 0.64308684516013 0.58648726798947 18.998 > 19 20 F 0.17845657741993 0.35691315483987 0.41351273201053 18.998 > 20 21 F 0.30887166897154 0.15443583448577 0.92381446846979 18.998 > 21 22 F 0.03588151667807 0.51794075833903 0.25719530580873 18.998 > 22 23 F 0.96411848332193 0.48205924166096 0.74280469419127 18.998 > 23 24 F 0.48205924166096 0.51794075833903 0.25719530580873 18.998 > 24 25 F 0.51794075833903 0.48205924166096 0.74280469419127 18.998 > 25 26 F 0.84556416551423 0.69112833102846 0.92381446846979 18.998 > 26 27 F 0.82154342258007 0.17845657741993 0.58648726798947 18.998 > 27 28 F 0.17845657741993 0.82154342258007 0.41351273201053 18.998 > 28 29 F 0.35691315483987 0.17845657741993 0.58648726798947 18.998 > 29 30 F 0.15443583448577 0.30887166897154 0.07618553153021 18.998 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.204669828935948 0.000000000000000 0.000000000000000 b -5.602334914467974 9.703528712875571 0.000000000000000 c 0.000000000000000 0.000000000000000 13.705072339999999 Atomic positions (fractional): *1 K 0.33333333333333 0.16666666666667 0.41151728852362 39.098 > 1 2 K 0.83333333333333 0.16666666666667 0.41151728852362 39.098 > 1 3 K 0.33333333333333 0.66666666666667 0.41151728852362 39.098 > 1 4 K 0.83333333333333 0.66666666666667 0.41151728852362 39.098 > 1 *5 K 0.00000000000000 0.00000000000000 0.74791320784172 39.098 > 2 6 K 0.50000000000000 0.00000000000000 0.74791320784172 39.098 > 2 7 K 0.00000000000000 0.50000000000000 0.74791320784172 39.098 > 2 8 K 0.50000000000000 0.50000000000000 0.74791320784172 39.098 > 2 *9 K 0.33333333333333 0.16666666666667 0.10444418055866 39.098 > 3 10 K 0.83333333333333 0.16666666666667 0.10444418055866 39.098 > 3 11 K 0.33333333333333 0.66666666666667 0.10444418055866 39.098 > 3 12 K 0.83333333333333 0.66666666666667 0.10444418055866 39.098 > 3 13 K 0.00000000000000 0.00000000000000 0.25208679215828 39.098 > 4 14 K 0.50000000000000 0.00000000000000 0.25208679215828 39.098 > 4 15 K 0.00000000000000 0.50000000000000 0.25208679215828 39.098 > 4 16 K 0.50000000000000 0.50000000000000 0.25208679215828 39.098 > 4 17 K 0.16666666666667 0.33333333333333 0.58848271147638 39.098 > 5 18 K 0.66666666666667 0.33333333333333 0.58848271147638 39.098 > 5 19 K 0.16666666666667 0.83333333333333 0.58848271147638 39.098 > 5 20 K 0.66666666666667 0.83333333333333 0.58848271147638 39.098 > 5 21 K 0.16666666666667 0.33333333333333 0.89555581944134 39.098 > 6 22 K 0.66666666666667 0.33333333333333 0.89555581944134 39.098 > 6 23 K 0.16666666666667 0.83333333333333 0.89555581944134 39.098 > 6 24 K 0.66666666666667 0.83333333333333 0.89555581944134 39.098 > 6 *25 Li 0.33333333333333 0.16666666666667 0.85648759710174 6.941 > 7 26 Li 0.83333333333333 0.16666666666667 0.85648759710174 6.941 > 7 27 Li 0.33333333333333 0.66666666666667 0.85648759710174 6.941 > 7 28 Li 0.83333333333333 0.66666666666667 0.85648759710174 6.941 > 7 29 Li 0.16666666666667 0.33333333333333 0.14351240289826 6.941 > 8 30 Li 0.66666666666667 0.33333333333333 0.14351240289826 6.941 > 8 31 Li 0.16666666666667 0.83333333333333 0.14351240289826 6.941 > 8 32 Li 0.66666666666667 0.83333333333333 0.14351240289826 6.941 > 8 *33 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 9 34 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 9 35 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 9 36 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 9 *37 Al 0.16666666666667 0.33333333333333 0.33871443280527 26.982 > 10 38 Al 0.66666666666667 0.33333333333333 0.33871443280527 26.982 > 10 39 Al 0.16666666666667 0.83333333333333 0.33871443280527 26.982 > 10 40 Al 0.66666666666667 0.83333333333333 0.33871443280527 26.982 > 10 41 Al 0.33333333333333 0.16666666666667 0.66128556719473 26.982 > 11 42 Al 0.83333333333333 0.16666666666667 0.66128556719473 26.982 > 11 43 Al 0.33333333333333 0.66666666666667 0.66128556719473 26.982 > 11 44 Al 0.83333333333333 0.66666666666667 0.66128556719473 26.982 > 11 *45 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 12 46 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 12 47 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 12 48 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 12 *49 F 0.42278208275711 0.07721791724289 0.92381446846979 18.998 > 13 50 F 0.92278208275711 0.07721791724289 0.92381446846979 18.998 > 13 51 F 0.42278208275711 0.57721791724289 0.92381446846979 18.998 > 13 52 F 0.92278208275711 0.57721791724289 0.92381446846979 18.998 > 13 *53 F 0.24102962083048 0.48205924166097 0.25719530580873 18.998 > 14 54 F 0.74102962083048 0.48205924166097 0.25719530580873 18.998 > 14 55 F 0.24102962083048 0.98205924166097 0.25719530580873 18.998 > 14 56 F 0.74102962083048 0.98205924166097 0.25719530580873 18.998 > 14 57 F 0.25897037916952 0.01794075833903 0.74280469419127 18.998 > 15 58 F 0.75897037916952 0.01794075833903 0.74280469419127 18.998 > 15 59 F 0.25897037916952 0.51794075833903 0.74280469419127 18.998 > 15 60 F 0.75897037916952 0.51794075833903 0.74280469419127 18.998 > 15 61 F 0.07721791724289 0.42278208275711 0.07618553153021 18.998 > 16 62 F 0.57721791724289 0.42278208275711 0.07618553153021 18.998 > 16 63 F 0.07721791724289 0.92278208275711 0.07618553153021 18.998 > 16 64 F 0.57721791724289 0.92278208275711 0.07618553153021 18.998 > 16 *65 F 0.32154342258007 0.41077171129003 0.41351273201053 18.998 > 17 66 F 0.82154342258007 0.41077171129003 0.41351273201053 18.998 > 17 67 F 0.32154342258007 0.91077171129003 0.41351273201053 18.998 > 17 68 F 0.82154342258007 0.91077171129003 0.41351273201053 18.998 > 17 69 F 0.34556416551423 0.42278208275711 0.07618553153021 18.998 > 18 70 F 0.84556416551423 0.42278208275711 0.07618553153021 18.998 > 18 71 F 0.34556416551423 0.92278208275711 0.07618553153021 18.998 > 18 72 F 0.84556416551423 0.92278208275711 0.07618553153021 18.998 > 18 73 F 0.41077171129003 0.32154342258007 0.58648726798947 18.998 > 19 74 F 0.91077171129003 0.32154342258007 0.58648726798947 18.998 > 19 75 F 0.41077171129003 0.82154342258007 0.58648726798947 18.998 > 19 76 F 0.91077171129003 0.82154342258007 0.58648726798947 18.998 > 19 77 F 0.08922828870997 0.17845657741993 0.41351273201053 18.998 > 20 78 F 0.58922828870997 0.17845657741993 0.41351273201053 18.998 > 20 79 F 0.08922828870997 0.67845657741993 0.41351273201053 18.998 > 20 80 F 0.58922828870997 0.67845657741993 0.41351273201053 18.998 > 20 81 F 0.15443583448577 0.07721791724289 0.92381446846979 18.998 > 21 82 F 0.65443583448577 0.07721791724289 0.92381446846979 18.998 > 21 83 F 0.15443583448577 0.57721791724289 0.92381446846979 18.998 > 21 84 F 0.65443583448577 0.57721791724289 0.92381446846979 18.998 > 21 85 F 0.01794075833903 0.25897037916952 0.25719530580873 18.998 > 22 86 F 0.51794075833903 0.25897037916952 0.25719530580873 18.998 > 22 87 F 0.01794075833903 0.75897037916952 0.25719530580873 18.998 > 22 88 F 0.51794075833903 0.75897037916952 0.25719530580873 18.998 > 22 89 F 0.48205924166097 0.24102962083048 0.74280469419127 18.998 > 23 90 F 0.98205924166097 0.24102962083048 0.74280469419127 18.998 > 23 91 F 0.48205924166097 0.74102962083048 0.74280469419127 18.998 > 23 92 F 0.98205924166097 0.74102962083048 0.74280469419127 18.998 > 23 93 F 0.24102962083048 0.25897037916952 0.25719530580873 18.998 > 24 94 F 0.74102962083048 0.25897037916952 0.25719530580873 18.998 > 24 95 F 0.24102962083048 0.75897037916952 0.25719530580873 18.998 > 24 96 F 0.74102962083048 0.75897037916952 0.25719530580873 18.998 > 24 97 F 0.25897037916952 0.24102962083048 0.74280469419127 18.998 > 25 98 F 0.75897037916952 0.24102962083048 0.74280469419127 18.998 > 25 99 F 0.25897037916952 0.74102962083048 0.74280469419127 18.998 > 25 100 F 0.75897037916952 0.74102962083048 0.74280469419127 18.998 > 25 101 F 0.42278208275711 0.34556416551423 0.92381446846979 18.998 > 26 102 F 0.92278208275711 0.34556416551423 0.92381446846979 18.998 > 26 103 F 0.42278208275711 0.84556416551423 0.92381446846979 18.998 > 26 104 F 0.92278208275711 0.84556416551423 0.92381446846979 18.998 > 26 105 F 0.41077171129003 0.08922828870997 0.58648726798947 18.998 > 27 106 F 0.91077171129003 0.08922828870997 0.58648726798947 18.998 > 27 107 F 0.41077171129003 0.58922828870997 0.58648726798947 18.998 > 27 108 F 0.91077171129003 0.58922828870997 0.58648726798947 18.998 > 27 109 F 0.08922828870997 0.41077171129003 0.41351273201053 18.998 > 28 110 F 0.58922828870997 0.41077171129003 0.41351273201053 18.998 > 28 111 F 0.08922828870997 0.91077171129003 0.41351273201053 18.998 > 28 112 F 0.58922828870997 0.91077171129003 0.41351273201053 18.998 > 28 113 F 0.17845657741993 0.08922828870997 0.58648726798947 18.998 > 29 114 F 0.67845657741993 0.08922828870997 0.58648726798947 18.998 > 29 115 F 0.17845657741993 0.58922828870997 0.58648726798947 18.998 > 29 116 F 0.67845657741993 0.58922828870997 0.58648726798947 18.998 > 29 117 F 0.07721791724289 0.15443583448577 0.07618553153021 18.998 > 30 118 F 0.57721791724289 0.15443583448577 0.07618553153021 18.998 > 30 119 F 0.07721791724289 0.65443583448577 0.07618553153021 18.998 > 30 120 F 0.57721791724289 0.65443583448577 0.07618553153021 18.998 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0769688 0.0000000 0.0000000 0.0000000 2.0769688 0.0000000 0.0000000 0.0000000 2.0739461 -------------------------- Born effective charges -------------------------- 1 K 1.1914907 0.0000000 -0.0000000 -0.0000000 1.1914907 -0.0000000 0.0000000 -0.0000000 1.1843632 2 K 1.2016610 0.0000000 -0.0000000 -0.0000000 1.2016610 -0.0000000 0.0000000 -0.0000000 1.1677169 3 K 1.2181849 0.0000000 -0.0000000 -0.0000000 1.2181849 -0.0000000 0.0000000 -0.0000000 1.1958217 4 K 1.2016610 0.0000000 -0.0000000 -0.0000000 1.2016610 -0.0000000 0.0000000 -0.0000000 1.1677169 5 K 1.1914907 0.0000000 -0.0000000 -0.0000000 1.1914907 -0.0000000 0.0000000 -0.0000000 1.1843632 6 K 1.2181849 0.0000000 -0.0000000 -0.0000000 1.2181849 -0.0000000 0.0000000 -0.0000000 1.1958217 7 Li 1.0590835 0.0000000 -0.0000000 -0.0000000 1.0590835 -0.0000000 0.0000000 -0.0000000 1.1390227 8 Li 1.0590835 0.0000000 -0.0000000 -0.0000000 1.0590835 -0.0000000 0.0000000 -0.0000000 1.1390227 9 Li 1.1566953 0.0000000 -0.0000000 -0.0000000 1.1566953 -0.0000000 0.0000000 -0.0000000 1.1373879 10 Al 2.6784051 -0.0000000 -0.0000000 -0.0000000 2.6784051 -0.0000000 0.0000000 -0.0000000 2.6872517 11 Al 2.6784051 -0.0000000 -0.0000000 -0.0000000 2.6784051 -0.0000000 0.0000000 -0.0000000 2.6872517 12 Al 2.7204902 -0.0000000 -0.0000000 -0.0000000 2.7204902 -0.0000000 0.0000000 -0.0000000 2.7856388 13 F -1.1098948 0.1241227 -0.1726072 0.1241227 -0.9665703 0.0996548 -0.1811902 0.1046102 -1.0306143 14 F -0.9147060 -0.0000000 -0.0000000 -0.0000000 -1.1207676 0.1517937 0.0000000 0.1296028 -1.0584628 15 F -0.9147060 -0.0000000 -0.0000000 -0.0000000 -1.1207676 0.1517937 0.0000000 0.1296028 -1.0584628 16 F -1.1098948 0.1241227 -0.1726072 0.1241227 -0.9665703 0.0996548 -0.1811902 0.1046102 -1.0306143 17 F -1.1036036 -0.1104476 -0.1501939 -0.1104476 -0.9760696 -0.0867145 -0.1554253 -0.0897348 -1.0228194 18 F -1.1098948 -0.1241227 0.1726072 -0.1241227 -0.9665703 0.0996548 0.1811902 0.1046102 -1.0306143 19 F -0.9123026 0.0000000 -0.0000000 -0.0000000 -1.1673706 0.1734290 0.0000000 0.1794697 -1.0228194 20 F -0.9123026 0.0000000 -0.0000000 -0.0000000 -1.1673706 0.1734290 0.0000000 0.1794697 -1.0228194 21 F -1.1098948 -0.1241227 0.1726072 -0.1241227 -0.9665703 0.0996548 0.1811902 0.1046102 -1.0306143 22 F -1.0692522 -0.0892273 -0.1314572 -0.0892273 -0.9662214 -0.0758968 -0.1122393 -0.0648014 -1.0584628 23 F -1.0692522 -0.0892273 -0.1314572 -0.0892273 -0.9662214 -0.0758968 -0.1122393 -0.0648014 -1.0584628 24 F -1.0692522 0.0892273 0.1314572 0.0892273 -0.9662214 -0.0758968 0.1122393 -0.0648014 -1.0584628 25 F -1.0692522 0.0892273 0.1314572 0.0892273 -0.9662214 -0.0758968 0.1122393 -0.0648014 -1.0584628 26 F -0.8949080 0.0000000 0.0000000 -0.0000000 -1.1815571 -0.1993096 0.0000000 -0.2092204 -1.0306143 27 F -1.1036036 0.1104476 0.1501939 0.1104476 -0.9760696 -0.0867145 0.1554253 -0.0897348 -1.0228194 28 F -1.1036036 0.1104476 0.1501939 0.1104476 -0.9760696 -0.0867145 0.1554253 -0.0897348 -1.0228194 29 F -1.1036036 -0.1104476 -0.1501939 -0.1104476 -0.9760696 -0.0867145 -0.1554253 -0.0897348 -1.0228194 30 F -0.8949080 0.0000000 0.0000000 -0.0000000 -1.1815571 -0.1993096 0.0000000 -0.2092204 -1.0306143 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1513 Number of blocks in projector: 1038 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 663 Use submatrix version of eigh solver. (1) Block: 500 / 663 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 663 / 663 (1) 157 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 578 Use submatrix version of eigh solver. (1) Block: 578 / 578 (2) Block: 250 / 578 (2) 244 eigenvectors found. (2) Block: 500 / 578 (2) 244 eigenvectors found. (2) Block: 578 / 578 (2) 74 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (1513, 1484), data: False |-- (272, 262), data: True |-- (578, 572), data: False |-- (578, 572), data: False |-- (578, 10), data: (578, 16) @ (16, 10) |-- (78, 74), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (663, 650), data: False |-- (663, 6), data: (663, 19) @ (19, 6) |-- (163, 157), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 237), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 320 - Time: 2.133 Solver_block: 200 / 320 - Time: 2.147 Solver_block: 300 / 320 - Time: 2.145 Solver_block: 320 / 320 - Time: 0.509 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.971 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1513 Number of blocks in projector: 1038 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 663 Use submatrix version of eigh solver. (1) Block: 500 / 663 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 663 / 663 (1) 157 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 578 Use submatrix version of eigh solver. (1) Block: 578 / 578 (2) Block: 250 / 578 (2) 244 eigenvectors found. (2) Block: 500 / 578 (2) 244 eigenvectors found. (2) Block: 578 / 578 (2) 74 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (1513, 1484), data: False |-- (272, 262), data: True |-- (578, 572), data: False |-- (578, 572), data: False |-- (578, 10), data: (578, 16) @ (16, 10) |-- (78, 74), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (663, 650), data: False |-- (663, 6), data: (663, 19) @ (19, 6) |-- (163, 157), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 237), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 13:11:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:11:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.602334914467974 0.000000000000000 0.000000000000000 b -2.801167457233987 4.851764356437785 0.000000000000000 c 0.000000000000000 0.000000000000000 13.705072339999999 Atomic positions (fractional): 1 K 0.66666666666667 0.33333333333333 0.41151728852362 39.098 2 K 0.00000000000000 0.00000000000000 0.74791320784172 39.098 3 K 0.66666666666667 0.33333333333333 0.10444418055866 39.098 4 K 0.00000000000000 0.00000000000000 0.25208679215828 39.098 5 K 0.33333333333333 0.66666666666667 0.58848271147638 39.098 6 K 0.33333333333333 0.66666666666667 0.89555581944134 39.098 7 Li 0.66666666666667 0.33333333333333 0.85648759710174 6.941 8 Li 0.33333333333333 0.66666666666667 0.14351240289826 6.941 9 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 10 Al 0.33333333333333 0.66666666666667 0.33871443280527 26.982 11 Al 0.66666666666667 0.33333333333333 0.66128556719473 26.982 12 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 13 F 0.84556416551423 0.15443583448577 0.92381446846979 18.998 14 F 0.48205924166096 0.96411848332193 0.25719530580873 18.998 15 F 0.51794075833903 0.03588151667807 0.74280469419127 18.998 16 F 0.15443583448577 0.84556416551423 0.07618553153021 18.998 17 F 0.64308684516013 0.82154342258007 0.41351273201053 18.998 18 F 0.69112833102846 0.84556416551423 0.07618553153021 18.998 19 F 0.82154342258007 0.64308684516013 0.58648726798947 18.998 20 F 0.17845657741993 0.35691315483987 0.41351273201053 18.998 21 F 0.30887166897154 0.15443583448577 0.92381446846979 18.998 22 F 0.03588151667807 0.51794075833903 0.25719530580873 18.998 23 F 0.96411848332193 0.48205924166096 0.74280469419127 18.998 24 F 0.48205924166096 0.51794075833903 0.25719530580873 18.998 25 F 0.51794075833903 0.48205924166096 0.74280469419127 18.998 26 F 0.84556416551423 0.69112833102846 0.92381446846979 18.998 27 F 0.82154342258007 0.17845657741993 0.58648726798947 18.998 28 F 0.17845657741993 0.82154342258007 0.41351273201053 18.998 29 F 0.35691315483987 0.17845657741993 0.58648726798947 18.998 30 F 0.15443583448577 0.30887166897154 0.07618553153021 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.204669828935948 0.000000000000000 0.000000000000000 b -5.602334914467974 9.703528712875571 0.000000000000000 c 0.000000000000000 0.000000000000000 13.705072339999999 Atomic positions (fractional): 1 K 0.33333333333333 0.16666666666667 0.41151728852362 39.098 > 1 2 K 0.83333333333333 0.16666666666667 0.41151728852362 39.098 > 1 3 K 0.33333333333333 0.66666666666667 0.41151728852362 39.098 > 1 4 K 0.83333333333333 0.66666666666667 0.41151728852362 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.74791320784172 39.098 > 5 6 K 0.50000000000000 0.00000000000000 0.74791320784172 39.098 > 5 7 K 0.00000000000000 0.50000000000000 0.74791320784172 39.098 > 5 8 K 0.50000000000000 0.50000000000000 0.74791320784172 39.098 > 5 9 K 0.33333333333333 0.16666666666667 0.10444418055866 39.098 > 9 10 K 0.83333333333333 0.16666666666667 0.10444418055866 39.098 > 9 11 K 0.33333333333333 0.66666666666667 0.10444418055866 39.098 > 9 12 K 0.83333333333333 0.66666666666667 0.10444418055866 39.098 > 9 13 K 0.00000000000000 0.00000000000000 0.25208679215828 39.098 > 13 14 K 0.50000000000000 0.00000000000000 0.25208679215828 39.098 > 13 15 K 0.00000000000000 0.50000000000000 0.25208679215828 39.098 > 13 16 K 0.50000000000000 0.50000000000000 0.25208679215828 39.098 > 13 17 K 0.16666666666667 0.33333333333333 0.58848271147638 39.098 > 17 18 K 0.66666666666667 0.33333333333333 0.58848271147638 39.098 > 17 19 K 0.16666666666667 0.83333333333333 0.58848271147638 39.098 > 17 20 K 0.66666666666667 0.83333333333333 0.58848271147638 39.098 > 17 21 K 0.16666666666667 0.33333333333333 0.89555581944134 39.098 > 21 22 K 0.66666666666667 0.33333333333333 0.89555581944134 39.098 > 21 23 K 0.16666666666667 0.83333333333333 0.89555581944134 39.098 > 21 24 K 0.66666666666667 0.83333333333333 0.89555581944134 39.098 > 21 25 Li 0.33333333333333 0.16666666666667 0.85648759710174 6.941 > 25 26 Li 0.83333333333333 0.16666666666667 0.85648759710174 6.941 > 25 27 Li 0.33333333333333 0.66666666666667 0.85648759710174 6.941 > 25 28 Li 0.83333333333333 0.66666666666667 0.85648759710174 6.941 > 25 29 Li 0.16666666666667 0.33333333333333 0.14351240289826 6.941 > 29 30 Li 0.66666666666667 0.33333333333333 0.14351240289826 6.941 > 29 31 Li 0.16666666666667 0.83333333333333 0.14351240289826 6.941 > 29 32 Li 0.66666666666667 0.83333333333333 0.14351240289826 6.941 > 29 33 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 33 34 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 33 35 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 33 36 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 33 37 Al 0.16666666666667 0.33333333333333 0.33871443280527 26.982 > 37 38 Al 0.66666666666667 0.33333333333333 0.33871443280527 26.982 > 37 39 Al 0.16666666666667 0.83333333333333 0.33871443280527 26.982 > 37 40 Al 0.66666666666667 0.83333333333333 0.33871443280527 26.982 > 37 41 Al 0.33333333333333 0.16666666666667 0.66128556719473 26.982 > 41 42 Al 0.83333333333333 0.16666666666667 0.66128556719473 26.982 > 41 43 Al 0.33333333333333 0.66666666666667 0.66128556719473 26.982 > 41 44 Al 0.83333333333333 0.66666666666667 0.66128556719473 26.982 > 41 45 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 45 46 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 45 47 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 45 48 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 45 49 F 0.42278208275711 0.07721791724289 0.92381446846979 18.998 > 49 50 F 0.92278208275711 0.07721791724289 0.92381446846979 18.998 > 49 51 F 0.42278208275711 0.57721791724289 0.92381446846979 18.998 > 49 52 F 0.92278208275711 0.57721791724289 0.92381446846979 18.998 > 49 53 F 0.24102962083048 0.48205924166097 0.25719530580873 18.998 > 53 54 F 0.74102962083048 0.48205924166097 0.25719530580873 18.998 > 53 55 F 0.24102962083048 0.98205924166097 0.25719530580873 18.998 > 53 56 F 0.74102962083048 0.98205924166097 0.25719530580873 18.998 > 53 57 F 0.25897037916952 0.01794075833903 0.74280469419127 18.998 > 57 58 F 0.75897037916952 0.01794075833903 0.74280469419127 18.998 > 57 59 F 0.25897037916952 0.51794075833903 0.74280469419127 18.998 > 57 60 F 0.75897037916952 0.51794075833903 0.74280469419127 18.998 > 57 61 F 0.07721791724289 0.42278208275711 0.07618553153021 18.998 > 61 62 F 0.57721791724289 0.42278208275711 0.07618553153021 18.998 > 61 63 F 0.07721791724289 0.92278208275711 0.07618553153021 18.998 > 61 64 F 0.57721791724289 0.92278208275711 0.07618553153021 18.998 > 61 65 F 0.32154342258007 0.41077171129003 0.41351273201053 18.998 > 65 66 F 0.82154342258007 0.41077171129003 0.41351273201053 18.998 > 65 67 F 0.32154342258007 0.91077171129003 0.41351273201053 18.998 > 65 68 F 0.82154342258007 0.91077171129003 0.41351273201053 18.998 > 65 69 F 0.34556416551423 0.42278208275711 0.07618553153021 18.998 > 69 70 F 0.84556416551423 0.42278208275711 0.07618553153021 18.998 > 69 71 F 0.34556416551423 0.92278208275711 0.07618553153021 18.998 > 69 72 F 0.84556416551423 0.92278208275711 0.07618553153021 18.998 > 69 73 F 0.41077171129003 0.32154342258007 0.58648726798947 18.998 > 73 74 F 0.91077171129003 0.32154342258007 0.58648726798947 18.998 > 73 75 F 0.41077171129003 0.82154342258007 0.58648726798947 18.998 > 73 76 F 0.91077171129003 0.82154342258007 0.58648726798947 18.998 > 73 77 F 0.08922828870997 0.17845657741993 0.41351273201053 18.998 > 77 78 F 0.58922828870997 0.17845657741993 0.41351273201053 18.998 > 77 79 F 0.08922828870997 0.67845657741993 0.41351273201053 18.998 > 77 80 F 0.58922828870997 0.67845657741993 0.41351273201053 18.998 > 77 81 F 0.15443583448577 0.07721791724289 0.92381446846979 18.998 > 81 82 F 0.65443583448577 0.07721791724289 0.92381446846979 18.998 > 81 83 F 0.15443583448577 0.57721791724289 0.92381446846979 18.998 > 81 84 F 0.65443583448577 0.57721791724289 0.92381446846979 18.998 > 81 85 F 0.01794075833903 0.25897037916952 0.25719530580873 18.998 > 85 86 F 0.51794075833903 0.25897037916952 0.25719530580873 18.998 > 85 87 F 0.01794075833903 0.75897037916952 0.25719530580873 18.998 > 85 88 F 0.51794075833903 0.75897037916952 0.25719530580873 18.998 > 85 89 F 0.48205924166097 0.24102962083048 0.74280469419127 18.998 > 89 90 F 0.98205924166097 0.24102962083048 0.74280469419127 18.998 > 89 91 F 0.48205924166097 0.74102962083048 0.74280469419127 18.998 > 89 92 F 0.98205924166097 0.74102962083048 0.74280469419127 18.998 > 89 93 F 0.24102962083048 0.25897037916952 0.25719530580873 18.998 > 93 94 F 0.74102962083048 0.25897037916952 0.25719530580873 18.998 > 93 95 F 0.24102962083048 0.75897037916952 0.25719530580873 18.998 > 93 96 F 0.74102962083048 0.75897037916952 0.25719530580873 18.998 > 93 97 F 0.25897037916952 0.24102962083048 0.74280469419127 18.998 > 97 98 F 0.75897037916952 0.24102962083048 0.74280469419127 18.998 > 97 99 F 0.25897037916952 0.74102962083048 0.74280469419127 18.998 > 97 100 F 0.75897037916952 0.74102962083048 0.74280469419127 18.998 > 97 101 F 0.42278208275711 0.34556416551423 0.92381446846979 18.998 > 101 102 F 0.92278208275711 0.34556416551423 0.92381446846979 18.998 > 101 103 F 0.42278208275711 0.84556416551423 0.92381446846979 18.998 > 101 104 F 0.92278208275711 0.84556416551423 0.92381446846979 18.998 > 101 105 F 0.41077171129003 0.08922828870997 0.58648726798947 18.998 > 105 106 F 0.91077171129003 0.08922828870997 0.58648726798947 18.998 > 105 107 F 0.41077171129003 0.58922828870997 0.58648726798947 18.998 > 105 108 F 0.91077171129003 0.58922828870997 0.58648726798947 18.998 > 105 109 F 0.08922828870997 0.41077171129003 0.41351273201053 18.998 > 109 110 F 0.58922828870997 0.41077171129003 0.41351273201053 18.998 > 109 111 F 0.08922828870997 0.91077171129003 0.41351273201053 18.998 > 109 112 F 0.58922828870997 0.91077171129003 0.41351273201053 18.998 > 109 113 F 0.17845657741993 0.08922828870997 0.58648726798947 18.998 > 113 114 F 0.67845657741993 0.08922828870997 0.58648726798947 18.998 > 113 115 F 0.17845657741993 0.58922828870997 0.58648726798947 18.998 > 113 116 F 0.67845657741993 0.58922828870997 0.58648726798947 18.998 > 113 117 F 0.07721791724289 0.15443583448577 0.07618553153021 18.998 > 117 118 F 0.57721791724289 0.15443583448577 0.07618553153021 18.998 > 117 119 F 0.07721791724289 0.65443583448577 0.07618553153021 18.998 > 117 120 F 0.57721791724289 0.65443583448577 0.07618553153021 18.998 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0769688 0.0000000 0.0000000 0.0000000 2.0769688 0.0000000 0.0000000 0.0000000 2.0739461 -------------------------- Born effective charges -------------------------- 1 K 1.1914907 0.0000000 -0.0000000 -0.0000000 1.1914907 -0.0000000 0.0000000 -0.0000000 1.1843632 2 K 1.2016610 0.0000000 -0.0000000 -0.0000000 1.2016610 -0.0000000 0.0000000 -0.0000000 1.1677169 3 K 1.2181849 0.0000000 -0.0000000 -0.0000000 1.2181849 -0.0000000 0.0000000 -0.0000000 1.1958217 4 K 1.2016610 0.0000000 -0.0000000 -0.0000000 1.2016610 -0.0000000 0.0000000 -0.0000000 1.1677169 5 K 1.1914907 0.0000000 -0.0000000 -0.0000000 1.1914907 -0.0000000 0.0000000 -0.0000000 1.1843632 6 K 1.2181849 0.0000000 -0.0000000 -0.0000000 1.2181849 -0.0000000 0.0000000 -0.0000000 1.1958217 7 Li 1.0590835 0.0000000 -0.0000000 -0.0000000 1.0590835 -0.0000000 0.0000000 -0.0000000 1.1390227 8 Li 1.0590835 0.0000000 -0.0000000 -0.0000000 1.0590835 -0.0000000 0.0000000 -0.0000000 1.1390227 9 Li 1.1566953 0.0000000 -0.0000000 -0.0000000 1.1566953 -0.0000000 0.0000000 -0.0000000 1.1373879 10 Al 2.6784051 -0.0000000 -0.0000000 -0.0000000 2.6784051 -0.0000000 0.0000000 -0.0000000 2.6872517 11 Al 2.6784051 -0.0000000 -0.0000000 -0.0000000 2.6784051 -0.0000000 0.0000000 -0.0000000 2.6872517 12 Al 2.7204902 -0.0000000 -0.0000000 -0.0000000 2.7204902 -0.0000000 0.0000000 -0.0000000 2.7856388 13 F -1.1098948 0.1241227 -0.1726072 0.1241227 -0.9665703 0.0996548 -0.1811902 0.1046102 -1.0306143 14 F -0.9147060 -0.0000000 -0.0000000 -0.0000000 -1.1207676 0.1517937 0.0000000 0.1296028 -1.0584628 15 F -0.9147060 -0.0000000 -0.0000000 -0.0000000 -1.1207676 0.1517937 0.0000000 0.1296028 -1.0584628 16 F -1.1098948 0.1241227 -0.1726072 0.1241227 -0.9665703 0.0996548 -0.1811902 0.1046102 -1.0306143 17 F -1.1036036 -0.1104476 -0.1501939 -0.1104476 -0.9760696 -0.0867145 -0.1554253 -0.0897348 -1.0228194 18 F -1.1098948 -0.1241227 0.1726072 -0.1241227 -0.9665703 0.0996548 0.1811902 0.1046102 -1.0306143 19 F -0.9123026 0.0000000 -0.0000000 -0.0000000 -1.1673706 0.1734290 0.0000000 0.1794697 -1.0228194 20 F -0.9123026 0.0000000 -0.0000000 -0.0000000 -1.1673706 0.1734290 0.0000000 0.1794697 -1.0228194 21 F -1.1098948 -0.1241227 0.1726072 -0.1241227 -0.9665703 0.0996548 0.1811902 0.1046102 -1.0306143 22 F -1.0692522 -0.0892273 -0.1314572 -0.0892273 -0.9662214 -0.0758968 -0.1122393 -0.0648014 -1.0584628 23 F -1.0692522 -0.0892273 -0.1314572 -0.0892273 -0.9662214 -0.0758968 -0.1122393 -0.0648014 -1.0584628 24 F -1.0692522 0.0892273 0.1314572 0.0892273 -0.9662214 -0.0758968 0.1122393 -0.0648014 -1.0584628 25 F -1.0692522 0.0892273 0.1314572 0.0892273 -0.9662214 -0.0758968 0.1122393 -0.0648014 -1.0584628 26 F -0.8949080 0.0000000 0.0000000 -0.0000000 -1.1815571 -0.1993096 0.0000000 -0.2092204 -1.0306143 27 F -1.1036036 0.1104476 0.1501939 0.1104476 -0.9760696 -0.0867145 0.1554253 -0.0897348 -1.0228194 28 F -1.1036036 0.1104476 0.1501939 0.1104476 -0.9760696 -0.0867145 0.1554253 -0.0897348 -1.0228194 29 F -1.1036036 -0.1104476 -0.1501939 -0.1104476 -0.9760696 -0.0867145 -0.1554253 -0.0897348 -1.0228194 30 F -0.8949080 0.0000000 0.0000000 -0.0000000 -1.1815571 -0.1993096 0.0000000 -0.2092204 -1.0306143 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000001 (xxy) 0.00000001 (xxy) 0.00000001 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 13:12:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:12:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.602334914467974 0.000000000000000 0.000000000000000 b -2.801167457233987 4.851764356437785 0.000000000000000 c 0.000000000000000 0.000000000000000 13.705072339999999 Atomic positions (fractional): 1 K 0.66666666666667 0.33333333333333 0.41151728852362 39.098 2 K 0.00000000000000 0.00000000000000 0.74791320784172 39.098 3 K 0.66666666666667 0.33333333333333 0.10444418055866 39.098 4 K 0.00000000000000 0.00000000000000 0.25208679215828 39.098 5 K 0.33333333333333 0.66666666666667 0.58848271147638 39.098 6 K 0.33333333333333 0.66666666666667 0.89555581944134 39.098 7 Li 0.66666666666667 0.33333333333333 0.85648759710174 6.941 8 Li 0.33333333333333 0.66666666666667 0.14351240289826 6.941 9 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 10 Al 0.33333333333333 0.66666666666667 0.33871443280527 26.982 11 Al 0.66666666666667 0.33333333333333 0.66128556719473 26.982 12 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 13 F 0.84556416551423 0.15443583448577 0.92381446846979 18.998 14 F 0.48205924166096 0.96411848332193 0.25719530580873 18.998 15 F 0.51794075833903 0.03588151667807 0.74280469419127 18.998 16 F 0.15443583448577 0.84556416551423 0.07618553153021 18.998 17 F 0.64308684516013 0.82154342258007 0.41351273201053 18.998 18 F 0.69112833102846 0.84556416551423 0.07618553153021 18.998 19 F 0.82154342258007 0.64308684516013 0.58648726798947 18.998 20 F 0.17845657741993 0.35691315483987 0.41351273201053 18.998 21 F 0.30887166897154 0.15443583448577 0.92381446846979 18.998 22 F 0.03588151667807 0.51794075833903 0.25719530580873 18.998 23 F 0.96411848332193 0.48205924166096 0.74280469419127 18.998 24 F 0.48205924166096 0.51794075833903 0.25719530580873 18.998 25 F 0.51794075833903 0.48205924166096 0.74280469419127 18.998 26 F 0.84556416551423 0.69112833102846 0.92381446846979 18.998 27 F 0.82154342258007 0.17845657741993 0.58648726798947 18.998 28 F 0.17845657741993 0.82154342258007 0.41351273201053 18.998 29 F 0.35691315483987 0.17845657741993 0.58648726798947 18.998 30 F 0.15443583448577 0.30887166897154 0.07618553153021 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.204669828935948 0.000000000000000 0.000000000000000 b -5.602334914467974 9.703528712875571 0.000000000000000 c 0.000000000000000 0.000000000000000 13.705072339999999 Atomic positions (fractional): 1 K 0.33333333333333 0.16666666666667 0.41151728852362 39.098 > 1 2 K 0.83333333333333 0.16666666666667 0.41151728852362 39.098 > 1 3 K 0.33333333333333 0.66666666666667 0.41151728852362 39.098 > 1 4 K 0.83333333333333 0.66666666666667 0.41151728852362 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.74791320784172 39.098 > 5 6 K 0.50000000000000 0.00000000000000 0.74791320784172 39.098 > 5 7 K 0.00000000000000 0.50000000000000 0.74791320784172 39.098 > 5 8 K 0.50000000000000 0.50000000000000 0.74791320784172 39.098 > 5 9 K 0.33333333333333 0.16666666666667 0.10444418055866 39.098 > 9 10 K 0.83333333333333 0.16666666666667 0.10444418055866 39.098 > 9 11 K 0.33333333333333 0.66666666666667 0.10444418055866 39.098 > 9 12 K 0.83333333333333 0.66666666666667 0.10444418055866 39.098 > 9 13 K 0.00000000000000 0.00000000000000 0.25208679215828 39.098 > 13 14 K 0.50000000000000 0.00000000000000 0.25208679215828 39.098 > 13 15 K 0.00000000000000 0.50000000000000 0.25208679215828 39.098 > 13 16 K 0.50000000000000 0.50000000000000 0.25208679215828 39.098 > 13 17 K 0.16666666666667 0.33333333333333 0.58848271147638 39.098 > 17 18 K 0.66666666666667 0.33333333333333 0.58848271147638 39.098 > 17 19 K 0.16666666666667 0.83333333333333 0.58848271147638 39.098 > 17 20 K 0.66666666666667 0.83333333333333 0.58848271147638 39.098 > 17 21 K 0.16666666666667 0.33333333333333 0.89555581944134 39.098 > 21 22 K 0.66666666666667 0.33333333333333 0.89555581944134 39.098 > 21 23 K 0.16666666666667 0.83333333333333 0.89555581944134 39.098 > 21 24 K 0.66666666666667 0.83333333333333 0.89555581944134 39.098 > 21 25 Li 0.33333333333333 0.16666666666667 0.85648759710174 6.941 > 25 26 Li 0.83333333333333 0.16666666666667 0.85648759710174 6.941 > 25 27 Li 0.33333333333333 0.66666666666667 0.85648759710174 6.941 > 25 28 Li 0.83333333333333 0.66666666666667 0.85648759710174 6.941 > 25 29 Li 0.16666666666667 0.33333333333333 0.14351240289826 6.941 > 29 30 Li 0.66666666666667 0.33333333333333 0.14351240289826 6.941 > 29 31 Li 0.16666666666667 0.83333333333333 0.14351240289826 6.941 > 29 32 Li 0.66666666666667 0.83333333333333 0.14351240289826 6.941 > 29 33 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 33 34 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 33 35 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 33 36 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 33 37 Al 0.16666666666667 0.33333333333333 0.33871443280527 26.982 > 37 38 Al 0.66666666666667 0.33333333333333 0.33871443280527 26.982 > 37 39 Al 0.16666666666667 0.83333333333333 0.33871443280527 26.982 > 37 40 Al 0.66666666666667 0.83333333333333 0.33871443280527 26.982 > 37 41 Al 0.33333333333333 0.16666666666667 0.66128556719473 26.982 > 41 42 Al 0.83333333333333 0.16666666666667 0.66128556719473 26.982 > 41 43 Al 0.33333333333333 0.66666666666667 0.66128556719473 26.982 > 41 44 Al 0.83333333333333 0.66666666666667 0.66128556719473 26.982 > 41 45 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 45 46 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 45 47 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 45 48 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 45 49 F 0.42278208275711 0.07721791724289 0.92381446846979 18.998 > 49 50 F 0.92278208275711 0.07721791724289 0.92381446846979 18.998 > 49 51 F 0.42278208275711 0.57721791724289 0.92381446846979 18.998 > 49 52 F 0.92278208275711 0.57721791724289 0.92381446846979 18.998 > 49 53 F 0.24102962083048 0.48205924166097 0.25719530580873 18.998 > 53 54 F 0.74102962083048 0.48205924166097 0.25719530580873 18.998 > 53 55 F 0.24102962083048 0.98205924166097 0.25719530580873 18.998 > 53 56 F 0.74102962083048 0.98205924166097 0.25719530580873 18.998 > 53 57 F 0.25897037916952 0.01794075833903 0.74280469419127 18.998 > 57 58 F 0.75897037916952 0.01794075833903 0.74280469419127 18.998 > 57 59 F 0.25897037916952 0.51794075833903 0.74280469419127 18.998 > 57 60 F 0.75897037916952 0.51794075833903 0.74280469419127 18.998 > 57 61 F 0.07721791724289 0.42278208275711 0.07618553153021 18.998 > 61 62 F 0.57721791724289 0.42278208275711 0.07618553153021 18.998 > 61 63 F 0.07721791724289 0.92278208275711 0.07618553153021 18.998 > 61 64 F 0.57721791724289 0.92278208275711 0.07618553153021 18.998 > 61 65 F 0.32154342258007 0.41077171129003 0.41351273201053 18.998 > 65 66 F 0.82154342258007 0.41077171129003 0.41351273201053 18.998 > 65 67 F 0.32154342258007 0.91077171129003 0.41351273201053 18.998 > 65 68 F 0.82154342258007 0.91077171129003 0.41351273201053 18.998 > 65 69 F 0.34556416551423 0.42278208275711 0.07618553153021 18.998 > 69 70 F 0.84556416551423 0.42278208275711 0.07618553153021 18.998 > 69 71 F 0.34556416551423 0.92278208275711 0.07618553153021 18.998 > 69 72 F 0.84556416551423 0.92278208275711 0.07618553153021 18.998 > 69 73 F 0.41077171129003 0.32154342258007 0.58648726798947 18.998 > 73 74 F 0.91077171129003 0.32154342258007 0.58648726798947 18.998 > 73 75 F 0.41077171129003 0.82154342258007 0.58648726798947 18.998 > 73 76 F 0.91077171129003 0.82154342258007 0.58648726798947 18.998 > 73 77 F 0.08922828870997 0.17845657741993 0.41351273201053 18.998 > 77 78 F 0.58922828870997 0.17845657741993 0.41351273201053 18.998 > 77 79 F 0.08922828870997 0.67845657741993 0.41351273201053 18.998 > 77 80 F 0.58922828870997 0.67845657741993 0.41351273201053 18.998 > 77 81 F 0.15443583448577 0.07721791724289 0.92381446846979 18.998 > 81 82 F 0.65443583448577 0.07721791724289 0.92381446846979 18.998 > 81 83 F 0.15443583448577 0.57721791724289 0.92381446846979 18.998 > 81 84 F 0.65443583448577 0.57721791724289 0.92381446846979 18.998 > 81 85 F 0.01794075833903 0.25897037916952 0.25719530580873 18.998 > 85 86 F 0.51794075833903 0.25897037916952 0.25719530580873 18.998 > 85 87 F 0.01794075833903 0.75897037916952 0.25719530580873 18.998 > 85 88 F 0.51794075833903 0.75897037916952 0.25719530580873 18.998 > 85 89 F 0.48205924166097 0.24102962083048 0.74280469419127 18.998 > 89 90 F 0.98205924166097 0.24102962083048 0.74280469419127 18.998 > 89 91 F 0.48205924166097 0.74102962083048 0.74280469419127 18.998 > 89 92 F 0.98205924166097 0.74102962083048 0.74280469419127 18.998 > 89 93 F 0.24102962083048 0.25897037916952 0.25719530580873 18.998 > 93 94 F 0.74102962083048 0.25897037916952 0.25719530580873 18.998 > 93 95 F 0.24102962083048 0.75897037916952 0.25719530580873 18.998 > 93 96 F 0.74102962083048 0.75897037916952 0.25719530580873 18.998 > 93 97 F 0.25897037916952 0.24102962083048 0.74280469419127 18.998 > 97 98 F 0.75897037916952 0.24102962083048 0.74280469419127 18.998 > 97 99 F 0.25897037916952 0.74102962083048 0.74280469419127 18.998 > 97 100 F 0.75897037916952 0.74102962083048 0.74280469419127 18.998 > 97 101 F 0.42278208275711 0.34556416551423 0.92381446846979 18.998 > 101 102 F 0.92278208275711 0.34556416551423 0.92381446846979 18.998 > 101 103 F 0.42278208275711 0.84556416551423 0.92381446846979 18.998 > 101 104 F 0.92278208275711 0.84556416551423 0.92381446846979 18.998 > 101 105 F 0.41077171129003 0.08922828870997 0.58648726798947 18.998 > 105 106 F 0.91077171129003 0.08922828870997 0.58648726798947 18.998 > 105 107 F 0.41077171129003 0.58922828870997 0.58648726798947 18.998 > 105 108 F 0.91077171129003 0.58922828870997 0.58648726798947 18.998 > 105 109 F 0.08922828870997 0.41077171129003 0.41351273201053 18.998 > 109 110 F 0.58922828870997 0.41077171129003 0.41351273201053 18.998 > 109 111 F 0.08922828870997 0.91077171129003 0.41351273201053 18.998 > 109 112 F 0.58922828870997 0.91077171129003 0.41351273201053 18.998 > 109 113 F 0.17845657741993 0.08922828870997 0.58648726798947 18.998 > 113 114 F 0.67845657741993 0.08922828870997 0.58648726798947 18.998 > 113 115 F 0.17845657741993 0.58922828870997 0.58648726798947 18.998 > 113 116 F 0.67845657741993 0.58922828870997 0.58648726798947 18.998 > 113 117 F 0.07721791724289 0.15443583448577 0.07618553153021 18.998 > 117 118 F 0.57721791724289 0.15443583448577 0.07618553153021 18.998 > 117 119 F 0.07721791724289 0.65443583448577 0.07618553153021 18.998 > 117 120 F 0.57721791724289 0.65443583448577 0.07618553153021 18.998 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0769688 0.0000000 0.0000000 0.0000000 2.0769688 0.0000000 0.0000000 0.0000000 2.0739461 -------------------------- Born effective charges -------------------------- 1 K 1.1914907 0.0000000 -0.0000000 -0.0000000 1.1914907 -0.0000000 0.0000000 -0.0000000 1.1843632 2 K 1.2016610 0.0000000 -0.0000000 -0.0000000 1.2016610 -0.0000000 0.0000000 -0.0000000 1.1677169 3 K 1.2181849 0.0000000 -0.0000000 -0.0000000 1.2181849 -0.0000000 0.0000000 -0.0000000 1.1958217 4 K 1.2016610 0.0000000 -0.0000000 -0.0000000 1.2016610 -0.0000000 0.0000000 -0.0000000 1.1677169 5 K 1.1914907 0.0000000 -0.0000000 -0.0000000 1.1914907 -0.0000000 0.0000000 -0.0000000 1.1843632 6 K 1.2181849 0.0000000 -0.0000000 -0.0000000 1.2181849 -0.0000000 0.0000000 -0.0000000 1.1958217 7 Li 1.0590835 0.0000000 -0.0000000 -0.0000000 1.0590835 -0.0000000 0.0000000 -0.0000000 1.1390227 8 Li 1.0590835 0.0000000 -0.0000000 -0.0000000 1.0590835 -0.0000000 0.0000000 -0.0000000 1.1390227 9 Li 1.1566953 0.0000000 -0.0000000 -0.0000000 1.1566953 -0.0000000 0.0000000 -0.0000000 1.1373879 10 Al 2.6784051 -0.0000000 -0.0000000 -0.0000000 2.6784051 -0.0000000 0.0000000 -0.0000000 2.6872517 11 Al 2.6784051 -0.0000000 -0.0000000 -0.0000000 2.6784051 -0.0000000 0.0000000 -0.0000000 2.6872517 12 Al 2.7204902 -0.0000000 -0.0000000 -0.0000000 2.7204902 -0.0000000 0.0000000 -0.0000000 2.7856388 13 F -1.1098948 0.1241227 -0.1726072 0.1241227 -0.9665703 0.0996548 -0.1811902 0.1046102 -1.0306143 14 F -0.9147060 -0.0000000 -0.0000000 -0.0000000 -1.1207676 0.1517937 0.0000000 0.1296028 -1.0584628 15 F -0.9147060 -0.0000000 -0.0000000 -0.0000000 -1.1207676 0.1517937 0.0000000 0.1296028 -1.0584628 16 F -1.1098948 0.1241227 -0.1726072 0.1241227 -0.9665703 0.0996548 -0.1811902 0.1046102 -1.0306143 17 F -1.1036036 -0.1104476 -0.1501939 -0.1104476 -0.9760696 -0.0867145 -0.1554253 -0.0897348 -1.0228194 18 F -1.1098948 -0.1241227 0.1726072 -0.1241227 -0.9665703 0.0996548 0.1811902 0.1046102 -1.0306143 19 F -0.9123026 0.0000000 -0.0000000 -0.0000000 -1.1673706 0.1734290 0.0000000 0.1794697 -1.0228194 20 F -0.9123026 0.0000000 -0.0000000 -0.0000000 -1.1673706 0.1734290 0.0000000 0.1794697 -1.0228194 21 F -1.1098948 -0.1241227 0.1726072 -0.1241227 -0.9665703 0.0996548 0.1811902 0.1046102 -1.0306143 22 F -1.0692522 -0.0892273 -0.1314572 -0.0892273 -0.9662214 -0.0758968 -0.1122393 -0.0648014 -1.0584628 23 F -1.0692522 -0.0892273 -0.1314572 -0.0892273 -0.9662214 -0.0758968 -0.1122393 -0.0648014 -1.0584628 24 F -1.0692522 0.0892273 0.1314572 0.0892273 -0.9662214 -0.0758968 0.1122393 -0.0648014 -1.0584628 25 F -1.0692522 0.0892273 0.1314572 0.0892273 -0.9662214 -0.0758968 0.1122393 -0.0648014 -1.0584628 26 F -0.8949080 0.0000000 0.0000000 -0.0000000 -1.1815571 -0.1993096 0.0000000 -0.2092204 -1.0306143 27 F -1.1036036 0.1104476 0.1501939 0.1104476 -0.9760696 -0.0867145 0.1554253 -0.0897348 -1.0228194 28 F -1.1036036 0.1104476 0.1501939 0.1104476 -0.9760696 -0.0867145 0.1554253 -0.0897348 -1.0228194 29 F -1.1036036 -0.1104476 -0.1501939 -0.1104476 -0.9760696 -0.0867145 -0.1554253 -0.0897348 -1.0228194 30 F -0.8949080 0.0000000 0.0000000 -0.0000000 -1.1815571 -0.1993096 0.0000000 -0.2092204 -1.0306143 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxy) 0.00000001 (xxy) 0.00000001 (xyx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 10 10 4 ] 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: 0.58, Number of G-points: 309, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 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 1.811 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.935 ( 0.000 0.000 0.000) 0.000 1.935 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.812 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.331 ( 0.000 0.000 0.000) 0.000 4.331 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.364 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.731 ( 0.000 0.000 0.000) 0.000 6.731 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.652 ( 0.000 0.000 0.000) 0.000 7.652 ( 0.000 0.000 0.000) 0.000 8.571 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.444 ( 0.000 0.000 0.000) 0.000 9.444 ( 0.000 0.000 0.000) 0.000 9.563 ( 0.000 0.000 0.000) 0.000 9.774 ( 0.000 0.000 0.000) 0.000 9.781 ( 0.000 0.000 0.000) 0.000 9.781 ( 0.000 0.000 0.000) 0.000 10.033 ( 0.000 0.000 0.000) 0.000 10.033 ( 0.000 0.000 0.000) 0.000 11.119 ( 0.000 0.000 0.000) 0.000 11.119 ( 0.000 0.000 0.000) 0.000 11.155 ( 0.000 0.000 0.000) 0.000 11.155 ( 0.000 0.000 0.000) 0.000 11.225 ( 0.000 0.000 0.000) 0.000 11.309 ( 0.000 0.000 0.000) 0.000 11.309 ( 0.000 0.000 0.000) 0.000 11.581 ( 0.000 0.000 0.000) 0.000 11.581 ( 0.000 0.000 0.000) 0.000 11.627 ( 0.000 0.000 0.000) 0.000 11.627 ( 0.000 0.000 0.000) 0.000 11.685 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 11.950 ( 0.000 0.000 0.000) 0.000 12.712 ( 0.000 0.000 0.000) 0.000 12.846 ( 0.000 0.000 0.000) 0.000 15.894 ( 0.000 0.000 0.000) 0.000 15.966 ( 0.000 0.000 0.000) 0.000 16.448 ( 0.000 0.000 0.000) 0.000 16.732 ( 0.000 0.000 0.000) 0.000 16.732 ( 0.000 0.000 0.000) 0.000 16.855 ( 0.000 0.000 0.000) 0.000 16.855 ( 0.000 0.000 0.000) 0.000 17.205 ( 0.000 0.000 0.000) 0.000 17.205 ( 0.000 0.000 0.000) 0.000 17.459 ( 0.000 0.000 0.000) 0.000 19.549 ( 0.000 0.000 0.000) 0.000 19.670 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 24.627 14.218 4.880) 28.852 0.632 ( 26.132 15.087 6.048) 30.775 1.158 ( 47.439 27.389 -5.921) 55.097 1.865 ( 5.163 2.981 -14.424) 15.608 1.998 ( 15.310 8.839 12.749) 21.796 2.065 ( 9.672 5.584 11.607) 16.107 2.199 ( 18.963 10.948 -10.591) 24.323 2.554 ( 4.145 2.393 -0.294) 4.796 2.632 ( 10.192 5.884 0.448) 11.777 3.187 ( 4.269 2.464 -0.261) 4.936 3.314 ( -0.138 -0.079 -0.086) 0.181 3.412 ( 0.166 0.096 1.305) 1.319 3.455 ( 1.793 1.035 0.722) 2.192 3.534 ( -2.171 -1.254 -2.184) 3.325 3.605 ( 1.400 0.809 -0.570) 1.715 3.680 ( 3.621 2.090 1.566) 4.465 3.725 ( 3.393 1.959 -0.995) 4.042 3.865 ( 4.025 2.324 0.389) 4.664 3.897 ( 1.680 0.970 -0.598) 2.029 4.028 ( 1.747 1.009 0.822) 2.179 4.127 ( -0.095 -0.055 0.017) 0.111 4.177 ( 2.322 1.340 -0.152) 2.685 4.298 ( -1.134 -0.655 -0.211) 1.326 4.317 ( -1.056 -0.609 0.792) 1.454 4.432 ( 1.185 0.684 -0.481) 1.451 4.444 ( -3.577 -2.065 -0.831) 4.213 4.448 ( -0.129 -0.074 -1.996) 2.001 4.478 ( -1.870 -1.080 1.811) 2.818 4.497 ( -2.086 -1.204 -0.015) 2.408 4.573 ( 1.649 0.952 0.820) 2.073 4.891 ( -1.688 -0.975 0.257) 1.966 4.917 ( -0.063 -0.037 -0.261) 0.271 4.943 ( 1.825 1.053 0.443) 2.153 5.143 ( -5.252 -3.032 -0.169) 6.067 5.344 ( -1.576 -0.910 -1.350) 2.266 5.966 ( -3.720 -2.148 0.906) 4.390 6.164 ( 2.219 1.281 -0.046) 2.562 6.308 ( 2.340 1.351 -0.383) 2.729 6.335 ( -1.451 -0.838 0.744) 1.834 6.367 ( 0.936 0.540 -0.367) 1.141 6.527 ( 2.580 1.489 -0.025) 2.979 6.712 ( -1.432 -0.827 -1.062) 1.965 6.767 ( 0.921 0.532 1.000) 1.460 7.006 ( -0.891 -0.515 0.800) 1.304 7.020 ( 0.157 0.091 -0.395) 0.435 7.665 ( 1.062 0.613 0.006) 1.227 8.225 ( 0.253 0.146 0.487) 0.568 8.518 ( -3.835 -2.214 -2.533) 5.101 8.914 ( -1.592 -0.919 3.566) 4.012 9.045 ( -0.431 -0.249 -4.361) 4.389 9.046 ( -2.784 -1.607 0.388) 3.237 9.065 ( -0.605 -0.349 3.430) 3.501 9.346 ( 0.355 0.205 4.985) 5.002 9.409 ( -2.931 -1.692 -0.645) 3.445 9.433 ( -1.148 -0.663 -2.290) 2.645 9.536 ( -1.536 -0.887 -4.080) 4.449 9.765 ( -0.234 -0.135 -0.188) 0.330 9.782 ( -0.011 -0.006 2.210) 2.210 10.001 ( -2.461 -1.421 -0.453) 2.878 10.002 ( -1.400 -0.808 -4.762) 5.028 10.152 ( 5.264 3.039 2.188) 6.460 10.798 ( -19.702 -11.375 2.339) 22.870 11.124 ( 0.436 0.252 1.168) 1.272 11.141 ( -0.981 -0.566 -2.595) 2.832 11.236 ( -1.654 -0.955 4.853) 5.216 11.296 ( -0.950 -0.549 -0.914) 1.428 11.426 ( 4.724 2.728 -1.024) 5.550 11.508 ( -7.609 -4.393 -4.828) 10.025 11.531 ( 5.179 2.990 2.685) 6.556 11.552 ( -1.156 -0.667 -1.552) 2.047 11.643 ( 5.029 2.904 -0.368) 5.819 11.669 ( 2.088 1.205 6.256) 6.705 11.864 ( 10.049 5.802 -2.739) 11.922 11.953 ( 0.868 0.501 0.288) 1.043 11.957 ( 2.879 1.662 -2.743) 4.310 12.406 ( 2.884 1.665 0.037) 3.330 12.702 ( -0.556 -0.321 -0.048) 0.644 12.869 ( 1.930 1.114 0.022) 2.228 15.877 ( -1.304 -0.753 -0.043) 1.507 15.959 ( -0.599 -0.346 0.032) 0.693 16.425 ( -1.792 -1.035 0.001) 2.070 16.738 ( 0.488 0.281 -0.328) 0.652 16.855 ( 0.045 0.026 0.429) 0.432 16.951 ( 6.878 3.971 2.093) 8.213 17.194 ( 11.602 6.698 0.219) 13.398 17.222 ( 1.372 0.792 -0.096) 1.587 17.433 ( -1.777 -1.026 1.500) 2.541 19.392 ( -10.302 -5.948 6.519) 13.565 19.434 ( -4.773 -2.756 -8.966) 10.525 19.557 ( -8.455 -4.882 -0.191) 9.765 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 23.846 13.767 5.074) 27.999 1.234 ( 24.299 14.029 5.540) 28.599 2.056 ( 10.453 6.035 -13.779) 18.318 2.216 ( 39.579 22.851 -4.719) 45.945 2.345 ( 12.991 7.501 9.066) 17.528 2.470 ( 23.438 13.532 9.582) 28.710 2.684 ( 6.391 3.690 0.525) 7.398 2.684 ( 18.808 10.859 -10.118) 23.960 2.925 ( 12.747 7.360 0.136) 14.720 3.314 ( 5.700 3.291 -1.413) 6.731 3.340 ( 2.390 1.380 -0.228) 2.769 3.379 ( -4.436 -2.561 0.615) 5.159 3.417 ( 0.221 0.127 3.377) 3.387 3.626 ( 6.048 3.492 0.263) 6.989 3.674 ( 4.041 2.333 -0.882) 4.748 3.762 ( 2.914 1.682 -0.412) 3.390 3.780 ( 0.462 0.267 -2.170) 2.235 3.958 ( 2.495 1.440 -0.705) 2.966 3.982 ( 6.019 3.475 5.096) 8.618 4.089 ( 2.808 1.621 -3.122) 4.501 4.149 ( 1.867 1.078 0.616) 2.242 4.182 ( -1.627 -0.939 0.064) 1.880 4.290 ( -0.922 -0.532 1.275) 1.660 4.330 ( 0.628 0.363 -0.257) 0.770 4.362 ( -2.204 -1.273 1.263) 2.841 4.377 ( -0.537 -0.310 0.461) 0.773 4.431 ( -2.938 -1.696 -0.975) 3.530 4.441 ( 0.217 0.125 -0.183) 0.310 4.478 ( 1.775 1.025 -0.347) 2.079 4.627 ( 1.950 1.126 -1.672) 2.805 4.865 ( -0.520 -0.300 1.611) 1.719 4.906 ( -0.916 -0.529 -0.298) 1.099 4.984 ( 1.329 0.767 0.576) 1.639 5.000 ( -6.210 -3.586 2.576) 7.620 5.293 ( -2.682 -1.548 -5.551) 6.357 5.849 ( -5.677 -3.278 1.625) 6.754 6.217 ( 0.121 0.070 -0.679) 0.693 6.292 ( 0.380 0.220 0.693) 0.820 6.393 ( 3.855 2.226 0.063) 4.452 6.394 ( 1.212 0.700 -0.325) 1.437 6.608 ( 3.463 1.999 0.055) 3.999 6.683 ( -0.015 -0.009 -1.241) 1.241 6.796 ( 1.368 0.790 0.593) 1.687 6.972 ( -1.893 -1.093 1.007) 2.407 7.013 ( -0.821 -0.474 0.934) 1.331 7.700 ( 1.786 1.031 0.015) 2.063 8.182 ( -4.550 -2.627 1.435) 5.446 8.428 ( -3.104 -1.792 -5.003) 6.154 8.865 ( -2.356 -1.360 4.593) 5.338 8.948 ( -5.008 -2.891 -0.219) 5.787 9.025 ( -1.238 -0.715 -5.733) 5.909 9.035 ( -2.473 -1.428 2.699) 3.929 9.269 ( -6.648 -3.838 8.073) 11.140 9.304 ( -5.840 -3.372 -0.894) 6.802 9.420 ( 0.482 0.278 -8.673) 8.691 9.502 ( -1.879 -1.085 0.799) 2.312 9.767 ( -0.311 -0.180 -1.568) 1.609 9.768 ( -1.482 -0.856 2.848) 3.322 9.939 ( -2.116 -1.222 -0.104) 2.445 9.942 ( -4.409 -2.545 1.787) 5.395 10.270 ( 0.060 0.034 -15.319) 15.319 10.400 ( -6.860 -3.961 14.399) 16.434 11.116 ( -0.832 -0.481 -6.246) 6.320 11.130 ( -8.128 -4.693 12.680) 15.776 11.141 ( 0.820 0.474 5.121) 5.208 11.275 ( -0.574 -0.331 -2.842) 2.918 11.317 ( -3.400 -1.963 -11.702) 12.343 11.539 ( -0.031 -0.018 -0.962) 0.963 11.546 ( 3.920 2.263 -0.461) 4.550 11.690 ( 6.849 3.954 1.850) 8.122 11.704 ( 0.770 0.445 7.571) 7.623 11.850 ( 10.503 6.064 -0.521) 12.139 11.958 ( 1.787 1.032 -0.437) 2.109 12.040 ( 3.720 2.147 -3.426) 5.494 12.113 ( 8.568 4.947 -2.226) 10.141 12.518 ( 6.845 3.952 2.233) 8.214 12.707 ( 1.477 0.853 -1.244) 2.111 12.935 ( 3.456 1.995 -0.707) 4.053 15.838 ( -1.850 -1.068 -0.148) 2.142 15.936 ( -1.305 -0.753 0.104) 1.510 16.372 ( -2.496 -1.441 -0.097) 2.884 16.754 ( 0.780 0.450 -0.839) 1.231 16.859 ( 0.325 0.188 1.012) 1.079 17.082 ( 1.715 0.990 2.965) 3.566 17.264 ( 2.020 1.166 -0.170) 2.339 17.420 ( 2.286 1.320 3.309) 4.233 17.506 ( 12.700 7.332 -1.688) 14.761 19.039 ( -17.004 -9.817 2.734) 19.824 19.219 ( -13.532 -7.813 0.069) 15.625 19.395 ( -4.593 -2.652 -5.754) 7.825 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 22.447 12.960 5.408) 26.478 1.779 ( 21.263 12.276 4.584) 24.977 2.333 ( 12.126 7.001 -9.877) 17.135 2.644 ( 11.212 6.474 3.146) 13.324 2.844 ( 6.813 3.933 2.655) 8.303 2.846 ( 15.285 8.825 8.341) 19.522 2.980 ( 6.901 3.984 -13.333) 15.533 3.163 ( 26.632 15.376 -4.088) 31.022 3.191 ( 8.689 5.016 3.860) 10.750 3.289 ( -2.633 -1.520 0.015) 3.040 3.398 ( -0.607 -0.350 6.366) 6.404 3.404 ( 3.126 1.805 -3.873) 5.294 3.440 ( 2.931 1.692 -4.417) 5.564 3.736 ( -2.119 -1.224 0.199) 2.455 3.769 ( 7.158 4.133 -0.827) 8.307 3.778 ( 2.549 1.472 -1.841) 3.471 3.830 ( 2.944 1.700 1.942) 3.915 3.956 ( -2.226 -1.285 -1.853) 3.169 4.077 ( -2.905 -1.677 1.240) 3.576 4.113 ( -2.659 -1.535 3.547) 4.691 4.147 ( -2.160 -1.247 -0.781) 2.613 4.188 ( 7.948 4.589 1.654) 9.326 4.301 ( 1.258 0.726 1.444) 2.048 4.325 ( 3.580 2.067 1.990) 4.588 4.355 ( -1.194 -0.689 -1.644) 2.146 4.481 ( 7.283 4.205 -7.081) 10.994 4.482 ( 6.890 3.978 1.792) 8.156 4.513 ( 6.012 3.471 0.721) 6.980 4.552 ( 6.058 3.498 3.526) 7.834 4.657 ( 0.525 0.303 -6.891) 6.918 4.830 ( -3.546 -2.047 4.556) 6.126 4.877 ( -1.396 -0.806 -0.123) 1.617 4.881 ( -2.615 -1.510 8.704) 9.213 5.001 ( 0.094 0.054 0.527) 0.539 5.220 ( -3.146 -1.816 -10.156) 10.786 5.708 ( -6.252 -3.609 2.264) 7.566 6.142 ( -4.523 -2.612 -0.732) 5.274 6.369 ( 3.963 2.288 1.382) 4.781 6.420 ( 0.896 0.517 -0.236) 1.061 6.455 ( 0.667 0.385 -2.031) 2.172 6.668 ( 3.311 1.911 1.118) 3.983 6.760 ( 4.965 2.866 -0.699) 5.775 6.814 ( -0.365 -0.211 -0.369) 0.560 6.921 ( -2.237 -1.291 0.606) 2.653 6.994 ( -0.183 -0.106 2.243) 2.253 7.746 ( 1.909 1.102 0.019) 2.205 8.016 ( -8.616 -4.975 0.049) 9.949 8.371 ( -1.929 -1.114 -3.311) 3.990 8.802 ( -6.953 -4.014 -0.060) 8.029 8.811 ( -1.940 -1.120 4.380) 4.920 8.966 ( -3.394 -1.959 -1.743) 4.289 8.986 ( -1.937 -1.118 -5.485) 5.923 9.069 ( -9.153 -5.285 5.336) 11.840 9.141 ( -7.508 -4.335 -0.600) 8.690 9.439 ( -2.471 -1.427 3.095) 4.209 9.449 ( 1.427 0.824 -7.125) 7.313 9.709 ( -3.062 -1.768 1.368) 3.791 9.710 ( -4.838 -2.793 -5.909) 8.132 9.819 ( -3.921 -2.264 9.467) 10.494 9.914 ( -0.198 -0.114 1.250) 1.270 10.136 ( -4.543 -2.623 -2.397) 5.767 10.509 ( 7.139 4.122 -1.343) 8.352 10.947 ( -5.705 -3.294 8.243) 10.552 11.106 ( 0.067 0.039 -5.068) 5.069 11.163 ( 0.911 0.526 5.311) 5.414 11.271 ( 0.267 0.154 -4.560) 4.570 11.295 ( 0.135 0.078 -5.420) 5.423 11.548 ( 0.751 0.433 -1.709) 1.916 11.628 ( 3.195 1.845 -0.814) 3.778 11.704 ( -0.813 -0.470 7.795) 7.851 11.823 ( 3.498 2.019 2.940) 4.995 11.986 ( 3.192 1.843 -3.854) 5.333 12.096 ( 6.165 3.560 2.748) 7.631 12.121 ( 2.871 1.657 -2.720) 4.288 12.304 ( 8.107 4.681 -2.632) 9.725 12.721 ( 9.256 5.344 5.694) 12.110 12.786 ( 5.196 3.000 -2.122) 6.364 13.027 ( 4.194 2.421 -3.306) 5.864 15.796 ( -1.592 -0.919 -0.192) 1.848 15.897 ( -1.873 -1.081 0.162) 2.169 16.314 ( -2.189 -1.264 -0.274) 2.543 16.773 ( 0.796 0.460 -1.236) 1.540 16.870 ( 0.538 0.311 1.415) 1.546 17.023 ( -4.990 -2.881 4.164) 7.109 17.312 ( 1.846 1.066 -0.186) 2.140 17.518 ( 4.074 2.352 5.676) 7.372 17.728 ( 4.663 2.692 -9.129) 10.599 18.660 ( -13.412 -7.743 2.699) 15.720 18.911 ( -10.477 -6.049 6.140) 13.566 19.286 ( -4.735 -2.734 -7.953) 9.651 ======================= Grid point 4 (5/50) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 15.588 9.000 3.062) 18.258 2.230 ( 20.151 11.634 5.888) 24.001 2.602 ( 9.659 5.577 -5.186) 12.300 2.845 ( 5.428 3.134 -0.851) 6.325 2.968 ( -5.891 -3.401 -0.629) 6.831 2.974 ( 3.035 1.752 1.265) 3.726 3.072 ( 1.961 1.132 -8.137) 8.446 3.192 ( -2.508 -1.448 -0.875) 3.025 3.322 ( 3.766 2.174 10.700) 11.550 3.327 ( -4.734 -2.733 5.079) 7.462 3.483 ( 4.184 2.416 -5.166) 7.074 3.511 ( 3.437 1.985 -1.800) 4.358 3.545 ( 3.237 1.869 -4.340) 5.727 3.674 ( -2.174 -1.255 1.235) 2.798 3.824 ( 1.048 0.605 -0.951) 1.539 3.877 ( 1.872 1.081 3.525) 4.135 3.884 ( -3.261 -1.883 -2.466) 4.501 4.018 ( -0.114 -0.066 0.355) 0.379 4.064 ( 5.085 2.936 -1.887) 6.168 4.071 ( -3.805 -2.197 -0.354) 4.408 4.150 ( 14.297 8.254 -4.446) 17.097 4.243 ( -2.479 -1.431 -0.201) 2.870 4.371 ( 2.775 1.602 -0.860) 3.318 4.418 ( 2.679 1.547 0.310) 3.109 4.430 ( 7.911 4.567 4.440) 10.157 4.558 ( 1.810 1.045 -0.141) 2.095 4.632 ( -1.463 -0.845 -1.519) 2.272 4.648 ( 5.878 3.394 1.653) 6.986 4.683 ( 2.166 1.250 -1.147) 2.751 4.712 ( 1.258 0.727 3.291) 3.598 4.816 ( 0.422 0.244 5.540) 5.562 4.848 ( -0.887 -0.512 0.082) 1.027 4.892 ( 9.588 5.535 3.296) 11.551 4.995 ( -0.389 -0.225 0.308) 0.545 5.162 ( -1.675 -0.967 -10.287) 10.468 5.546 ( -7.182 -4.146 2.357) 8.621 6.038 ( -3.675 -2.122 -0.616) 4.288 6.416 ( -0.530 -0.306 1.227) 1.371 6.437 ( 0.551 0.318 -0.154) 0.655 6.474 ( 1.870 1.080 -1.927) 2.894 6.762 ( 3.452 1.993 1.443) 4.239 6.776 ( -2.233 -1.289 0.060) 2.580 6.866 ( 3.161 1.825 0.028) 3.650 6.879 ( -0.630 -0.364 -0.573) 0.926 7.013 ( 1.362 0.786 1.135) 1.939 7.785 ( 1.286 0.743 0.012) 1.485 7.819 ( -6.866 -3.964 -0.686) 7.958 8.334 ( -1.102 -0.636 -0.826) 1.517 8.646 ( -5.489 -3.169 -1.164) 6.445 8.784 ( -0.092 -0.053 3.707) 3.709 8.813 ( -7.521 -4.342 2.567) 9.056 8.939 ( -2.105 -1.215 -7.015) 7.424 8.942 ( -2.157 -1.245 -0.856) 2.634 8.970 ( -6.001 -3.465 2.402) 7.334 9.392 ( -1.031 -0.595 1.664) 2.046 9.495 ( 1.569 0.906 -5.190) 5.497 9.598 ( -3.122 -1.803 -4.433) 5.714 9.644 ( -2.134 -1.232 0.400) 2.496 9.755 ( -2.174 -1.255 8.963) 9.308 9.916 ( 0.210 0.121 1.156) 1.182 10.058 ( -2.240 -1.293 -0.266) 2.600 10.655 ( 4.614 2.664 -4.871) 7.219 10.865 ( -1.629 -0.940 5.944) 6.235 11.120 ( 1.015 0.586 -3.790) 3.967 11.172 ( -0.379 -0.219 4.310) 4.333 11.288 ( 1.003 0.579 -3.441) 3.631 11.298 ( -0.005 -0.003 -1.311) 1.311 11.574 ( 1.436 0.829 -3.587) 3.951 11.669 ( -1.926 -1.112 7.320) 7.651 11.705 ( 3.270 1.888 -2.407) 4.478 11.846 ( -0.938 -0.542 3.998) 4.142 12.076 ( 3.788 2.187 -3.842) 5.821 12.166 ( 0.547 0.316 2.295) 2.381 12.172 ( 1.448 0.836 -1.465) 2.223 12.478 ( 5.515 3.184 -1.912) 6.649 12.892 ( 4.963 2.866 3.131) 6.531 12.943 ( 6.191 3.574 3.355) 7.897 13.130 ( 4.138 2.389 -5.840) 7.545 15.768 ( -0.708 -0.409 -0.160) 0.833 15.853 ( -1.638 -0.946 0.171) 1.899 16.273 ( -1.218 -0.703 -0.296) 1.437 16.789 ( 0.515 0.297 -0.963) 1.132 16.882 ( 0.403 0.233 1.077) 1.173 16.903 ( -4.276 -2.469 3.491) 6.047 17.348 ( 1.075 0.621 -0.121) 1.248 17.569 ( 0.342 0.197 6.750) 6.761 17.724 ( -3.290 -1.899 -11.709) 12.309 18.432 ( -5.934 -3.426 -0.938) 6.916 18.778 ( -1.017 -0.587 11.052) 11.114 19.177 ( -4.094 -2.364 -7.551) 8.909 ======================= Grid point 5 (6/50) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -0.000 -0.000 -0.000) 0.000 2.641 ( -0.000 -0.000 -0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 -0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 -0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 -0.000) 0.000 3.246 ( 0.000 0.000 -0.000) 0.000 3.370 ( 0.000 0.000 -0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 3.834 ( -0.000 -0.000 -0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 -0.000) 0.000 4.015 ( 0.000 0.000 -0.000) 0.000 4.144 ( -0.000 -0.000 0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.409 ( -0.000 -0.000 0.000) 0.000 4.428 ( 0.000 0.000 -0.000) 0.000 4.437 ( -0.000 -0.000 -0.000) 0.000 4.550 ( -0.000 -0.000 -0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.593 ( 0.000 0.000 -0.000) 0.000 4.724 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 -0.000) 0.000 4.738 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 4.990 ( 0.000 0.000 0.000) 0.000 5.068 ( -0.000 -0.000 -0.000) 0.000 5.138 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 -0.000) 0.000 5.990 ( -0.000 -0.000 -0.000) 0.000 6.403 ( 0.000 0.000 0.000) 0.000 6.445 ( 0.000 0.000 0.000) 0.000 6.500 ( 0.000 0.000 -0.000) 0.000 6.743 ( 0.000 0.000 -0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.873 ( -0.000 -0.000 0.000) 0.000 6.911 ( 0.000 0.000 0.000) 0.000 7.034 ( 0.000 0.000 0.000) 0.000 7.731 ( 0.000 0.000 0.000) 0.000 7.801 ( 0.000 0.000 0.000) 0.000 8.321 ( 0.000 0.000 -0.000) 0.000 8.574 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 8.800 ( -0.000 -0.000 -0.000) 0.000 8.866 ( 0.000 0.000 -0.000) 0.000 8.917 ( 0.000 0.000 -0.000) 0.000 8.923 ( 0.000 0.000 0.000) 0.000 9.382 ( 0.000 0.000 0.000) 0.000 9.502 ( 0.000 0.000 0.000) 0.000 9.580 ( 0.000 0.000 0.000) 0.000 9.617 ( 0.000 0.000 -0.000) 0.000 9.721 ( 0.000 0.000 -0.000) 0.000 9.919 ( 0.000 0.000 0.000) 0.000 10.030 ( 0.000 0.000 0.000) 0.000 10.712 ( 0.000 0.000 -0.000) 0.000 10.849 ( 0.000 0.000 0.000) 0.000 11.145 ( -0.000 -0.000 0.000) 0.000 11.153 ( 0.000 0.000 -0.000) 0.000 11.297 ( 0.000 0.000 -0.000) 0.000 11.304 ( 0.000 0.000 -0.000) 0.000 11.609 ( 0.000 0.000 -0.000) 0.000 11.627 ( -0.000 -0.000 0.000) 0.000 11.763 ( 0.000 0.000 0.000) 0.000 11.815 ( 0.000 0.000 -0.000) 0.000 12.144 ( 0.000 0.000 -0.000) 0.000 12.150 ( -0.000 -0.000 0.000) 0.000 12.190 ( 0.000 0.000 0.000) 0.000 12.544 ( 0.000 0.000 0.000) 0.000 12.955 ( 0.000 0.000 -0.000) 0.000 13.019 ( 0.000 0.000 0.000) 0.000 13.189 ( 0.000 0.000 -0.000) 0.000 15.760 ( 0.000 0.000 -0.000) 0.000 15.831 ( 0.000 0.000 0.000) 0.000 16.258 ( 0.000 0.000 -0.000) 0.000 16.795 ( 0.000 0.000 0.000) 0.000 16.848 ( 0.000 0.000 0.000) 0.000 16.887 ( 0.000 0.000 -0.000) 0.000 17.361 ( 0.000 0.000 -0.000) 0.000 17.567 ( 0.000 0.000 0.000) 0.000 17.669 ( -0.000 -0.000 -0.000) 0.000 18.364 ( 0.000 0.000 0.000) 0.000 18.785 ( 0.000 0.000 -0.000) 0.000 19.120 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/50) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 12.837 22.234 0.000) 25.673 1.176 ( 16.243 28.133 0.000) 32.486 1.884 ( 18.361 31.801 0.000) 36.721 2.092 ( 12.802 22.174 0.000) 25.604 2.186 ( 8.285 14.351 0.000) 16.571 2.380 ( 10.685 18.506 0.000) 21.369 2.532 ( 11.158 19.326 0.000) 22.316 2.665 ( 4.539 7.861 0.000) 9.078 2.830 ( 7.185 12.445 0.000) 14.370 3.274 ( 2.913 5.046 0.000) 5.826 3.325 ( 0.952 1.649 0.000) 1.904 3.406 ( -2.625 -4.546 0.000) 5.249 3.439 ( 1.133 1.962 0.000) 2.265 3.543 ( 2.082 3.606 0.000) 4.164 3.700 ( 1.070 1.852 0.000) 2.139 3.703 ( 3.304 5.722 0.000) 6.607 3.811 ( 2.463 4.267 0.000) 4.927 3.934 ( 2.001 3.466 0.000) 4.003 3.944 ( 2.399 4.156 0.000) 4.799 4.071 ( 1.584 2.744 0.000) 3.168 4.111 ( -0.543 -0.940 0.000) 1.086 4.200 ( -0.432 -0.749 0.000) 0.865 4.280 ( -1.626 -2.816 0.000) 3.252 4.320 ( 2.164 3.748 0.000) 4.327 4.398 ( -0.709 -1.227 0.000) 1.417 4.410 ( -2.695 -4.668 0.000) 5.390 4.420 ( -1.328 -2.301 0.000) 2.657 4.457 ( -0.135 -0.234 0.000) 0.270 4.470 ( 0.159 0.276 0.000) 0.319 4.616 ( 1.548 2.681 0.000) 3.096 4.849 ( -1.169 -2.025 0.000) 2.338 4.925 ( -0.247 -0.428 0.000) 0.494 4.956 ( 0.040 0.070 0.000) 0.081 5.054 ( -2.591 -4.488 0.000) 5.182 5.330 ( -0.443 -0.767 0.000) 0.886 5.862 ( -4.295 -7.439 0.000) 8.590 6.209 ( 1.387 2.402 0.000) 2.773 6.304 ( -0.796 -1.378 0.000) 1.591 6.359 ( 1.445 2.502 0.000) 2.889 6.388 ( 1.274 2.206 0.000) 2.547 6.588 ( 2.416 4.185 0.000) 4.833 6.683 ( -1.096 -1.899 0.000) 2.193 6.788 ( 0.882 1.528 0.000) 1.765 6.990 ( -0.621 -1.075 0.000) 1.241 7.012 ( -0.532 -0.922 0.000) 1.065 7.685 ( 0.738 1.278 0.000) 1.476 8.221 ( -0.811 -1.404 0.000) 1.621 8.443 ( -2.475 -4.286 0.000) 4.949 8.885 ( -1.241 -2.149 0.000) 2.482 8.960 ( -2.657 -4.603 0.000) 5.315 9.016 ( -1.183 -2.050 0.000) 2.367 9.083 ( -0.341 -0.590 0.000) 0.682 9.292 ( -3.646 -6.315 0.000) 7.292 9.379 ( -0.626 -1.084 0.000) 1.252 9.390 ( -1.662 -2.879 0.000) 3.324 9.511 ( -0.758 -1.313 0.000) 1.516 9.764 ( -0.100 -0.173 0.000) 0.199 9.787 ( -0.182 -0.315 0.000) 0.364 9.978 ( -0.212 -0.368 0.000) 0.425 9.989 ( -1.531 -2.652 0.000) 3.062 10.201 ( 2.068 3.582 0.000) 4.137 10.460 ( -10.246 -17.746 0.000) 20.492 11.053 ( -4.242 -7.347 0.000) 8.483 11.134 ( 0.106 0.184 0.000) 0.212 11.230 ( 0.113 0.196 0.000) 0.227 11.295 ( 0.243 0.420 0.000) 0.486 11.404 ( -1.637 -2.835 0.000) 3.273 11.542 ( 2.866 4.963 0.000) 5.731 11.588 ( 2.241 3.881 0.000) 4.482 11.607 ( 0.318 0.550 0.000) 0.635 11.634 ( 0.649 1.124 0.000) 1.298 11.769 ( 4.621 8.003 0.000) 9.241 11.924 ( 2.642 4.576 0.000) 5.284 11.963 ( 0.591 1.024 0.000) 1.183 12.166 ( 6.818 11.809 0.000) 13.635 12.445 ( 1.552 2.688 0.000) 3.104 12.699 ( 0.243 0.422 0.000) 0.487 12.913 ( 1.727 2.991 0.000) 3.453 15.850 ( -1.030 -1.784 0.000) 2.060 15.943 ( -0.673 -1.166 0.000) 1.347 16.387 ( -1.403 -2.430 0.000) 2.806 16.756 ( 0.770 1.334 0.000) 1.540 16.892 ( 1.809 3.132 0.000) 3.617 17.013 ( 0.252 0.436 0.000) 0.503 17.321 ( 3.469 6.009 0.000) 6.939 17.370 ( 6.268 10.857 0.000) 12.536 17.415 ( 0.467 0.808 0.000) 0.933 19.163 ( -9.132 -15.818 0.000) 18.265 19.294 ( -6.726 -11.650 0.000) 13.453 19.411 ( -3.934 -6.814 0.000) 7.869 ======================= Grid point 13 (8/50) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 19.085 16.031 2.374) 25.037 1.735 ( 14.134 27.082 3.676) 30.769 2.271 ( 8.777 14.600 -7.997) 18.819 2.533 ( 12.829 12.399 4.718) 18.455 2.711 ( 12.219 18.645 2.914) 22.482 2.796 ( 11.722 11.802 3.645) 17.028 2.871 ( 10.865 11.826 -9.339) 18.578 2.930 ( 16.463 19.342 -1.048) 25.422 3.094 ( 8.796 8.660 1.090) 12.391 3.285 ( -1.325 -4.367 0.513) 4.593 3.376 ( 1.278 1.851 -1.557) 2.736 3.406 ( 2.406 3.095 -1.662) 4.258 3.475 ( -1.288 5.174 3.866) 6.587 3.648 ( 6.497 0.966 -0.605) 6.596 3.749 ( 2.246 3.115 -0.546) 3.879 3.806 ( -0.802 2.959 -0.772) 3.161 3.856 ( -0.023 5.625 -0.176) 5.628 3.957 ( -1.440 -1.529 -0.560) 2.174 4.073 ( 3.390 -0.678 -2.970) 4.558 4.094 ( 4.945 1.225 5.660) 7.615 4.145 ( -1.973 -2.556 2.511) 4.090 4.158 ( 0.033 2.115 0.616) 2.203 4.230 ( 1.655 -1.475 -2.096) 3.051 4.321 ( -0.949 -1.228 -0.235) 1.569 4.378 ( 3.173 1.404 -1.387) 3.737 4.395 ( 0.283 0.644 -0.407) 0.813 4.469 ( 1.837 5.690 0.702) 6.021 4.485 ( 3.804 5.633 0.727) 6.836 4.509 ( 2.304 2.391 0.067) 3.321 4.655 ( 0.670 1.117 -2.252) 2.601 4.817 ( -0.974 -2.706 -0.439) 2.910 4.866 ( -1.770 -5.102 3.995) 6.717 4.935 ( -1.093 -2.145 0.984) 2.601 5.011 ( -0.930 1.854 -0.050) 2.075 5.293 ( -4.301 0.855 -4.477) 6.267 5.692 ( -2.937 -11.482 1.543) 11.951 6.191 ( -3.186 -2.212 -0.402) 3.900 6.338 ( 2.796 3.652 0.600) 4.639 6.389 ( 1.535 -0.607 -0.238) 1.668 6.461 ( 1.518 3.685 -0.585) 4.028 6.642 ( 0.022 -0.749 0.215) 0.780 6.695 ( 4.217 2.737 -0.207) 5.032 6.822 ( 0.703 1.573 -0.055) 1.724 6.956 ( -2.482 -0.519 -0.312) 2.555 6.988 ( 0.002 -1.765 1.701) 2.451 7.720 ( 1.787 1.259 0.001) 2.186 8.136 ( -6.720 -2.213 0.790) 7.118 8.369 ( -1.006 -3.521 -2.744) 4.576 8.828 ( -2.095 -2.511 2.517) 4.126 8.850 ( -3.990 -5.623 0.239) 6.899 8.981 ( -0.861 -1.248 -2.321) 2.773 9.025 ( -3.666 -2.755 -0.989) 4.691 9.120 ( -6.131 -8.454 0.780) 10.472 9.284 ( -7.496 0.623 4.384) 8.706 9.397 ( 3.205 -2.411 -6.678) 7.790 9.462 ( -2.487 -3.003 1.724) 4.263 9.738 ( -2.086 -2.658 -2.932) 4.474 9.742 ( -2.277 -3.561 2.782) 5.060 9.899 ( -6.354 1.569 1.369) 6.686 9.968 ( -2.054 1.510 2.013) 3.249 10.170 ( -5.184 -6.762 -5.118) 9.939 10.331 ( 9.832 -3.218 3.331) 10.868 10.885 ( -2.506 -11.040 1.630) 11.437 11.131 ( 0.693 -1.403 1.569) 2.215 11.238 ( -2.840 5.106 1.230) 5.970 11.298 ( -2.309 3.815 -1.562) 4.725 11.382 ( -1.806 4.665 -6.398) 8.121 11.571 ( -1.922 2.628 -2.066) 3.856 11.614 ( 1.779 2.863 2.242) 4.048 11.684 ( 1.311 1.582 2.873) 3.532 11.727 ( 7.605 -1.636 3.583) 8.564 11.951 ( 4.401 4.116 -3.033) 6.746 12.017 ( 6.768 3.579 4.062) 8.667 12.043 ( 4.239 3.197 -2.150) 5.729 12.349 ( -0.955 12.295 -4.838) 13.247 12.565 ( 10.598 0.845 4.532) 11.557 12.734 ( 2.779 1.738 -1.075) 3.449 12.985 ( 2.901 2.537 -1.075) 4.000 15.810 ( -1.350 -1.580 -0.103) 2.080 15.911 ( -1.288 -1.711 0.082) 2.143 16.332 ( -1.831 -2.229 -0.115) 2.887 16.788 ( 0.335 2.686 -0.557) 2.764 16.925 ( -3.216 4.152 -0.273) 5.259 17.022 ( 2.362 -2.246 2.752) 4.266 17.358 ( -1.327 4.173 0.833) 4.457 17.493 ( 1.621 6.198 3.037) 7.090 17.618 ( 10.007 3.172 -4.447) 11.401 18.803 ( -12.915 -12.464 2.123) 18.074 18.997 ( -9.915 -12.828 1.811) 16.314 19.284 ( -2.636 -7.840 -4.402) 9.369 ======================= Grid point 14 (9/50) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 19.680 12.042 3.251) 23.300 2.229 ( 11.090 24.355 4.465) 27.131 2.572 ( 7.055 15.630 -7.071) 18.549 2.818 ( 5.656 9.264 1.409) 10.945 2.953 ( 3.142 5.063 -1.445) 6.131 2.999 ( 2.639 4.916 6.620) 8.658 3.085 ( 3.605 8.309 -7.338) 11.656 3.217 ( -2.121 -3.885 -2.411) 5.040 3.256 ( 2.596 0.750 8.314) 8.742 3.334 ( 5.348 1.075 -2.845) 6.152 3.446 ( 1.918 0.265 -3.394) 3.908 3.482 ( 4.061 4.723 -0.980) 6.305 3.515 ( 1.113 7.532 2.103) 7.899 3.754 ( -4.989 2.478 -0.496) 5.593 3.768 ( 4.187 -0.222 0.456) 4.217 3.861 ( -0.941 -2.527 -3.347) 4.298 3.923 ( 4.869 5.648 -1.471) 7.601 3.938 ( 5.532 6.998 0.150) 8.922 4.062 ( -0.743 -0.471 1.198) 1.486 4.073 ( 1.280 -1.007 -1.099) 1.964 4.127 ( -1.556 0.371 -0.662) 1.731 4.232 ( 0.931 -4.017 0.286) 4.133 4.304 ( 6.386 6.718 5.299) 10.677 4.345 ( 2.588 -0.000 -0.785) 2.705 4.433 ( 2.033 5.240 1.597) 5.843 4.517 ( 2.986 1.409 -1.346) 3.566 4.583 ( 4.087 2.786 -0.703) 4.996 4.631 ( 7.626 4.643 -0.253) 8.932 4.639 ( 3.767 4.311 0.594) 5.755 4.668 ( 1.205 0.264 -3.769) 3.966 4.745 ( 1.801 -2.029 4.203) 5.003 4.827 ( 1.160 -2.670 5.079) 5.854 4.896 ( -1.439 -0.349 0.788) 1.678 5.016 ( -1.440 2.352 -0.202) 2.765 5.200 ( -4.670 -1.077 -7.658) 9.035 5.531 ( -1.546 -12.726 2.514) 13.064 6.099 ( -4.403 -1.170 -0.508) 4.584 6.406 ( 1.797 -1.387 0.108) 2.273 6.425 ( 1.742 2.794 1.457) 3.601 6.478 ( -1.547 1.700 -2.753) 3.587 6.680 ( 4.809 -1.559 1.398) 5.245 6.780 ( 1.672 0.248 0.156) 1.698 6.841 ( 1.094 1.362 -0.224) 1.761 6.893 ( -2.669 -1.970 -0.408) 3.342 6.999 ( 1.386 0.953 1.445) 2.218 7.769 ( 1.454 2.012 0.059) 2.483 7.968 ( -9.335 -0.050 -0.307) 9.340 8.326 ( -0.229 -3.016 -1.522) 3.386 8.710 ( -5.242 -4.217 -0.304) 6.734 8.770 ( -1.071 -3.160 2.305) 4.056 8.889 ( -6.087 -5.757 5.537) 10.043 8.946 ( -2.269 -2.407 -2.697) 4.268 8.972 ( -2.646 -1.172 -7.755) 8.277 9.138 ( -9.770 2.130 3.890) 10.730 9.382 ( -0.969 -3.875 2.454) 4.688 9.448 ( 3.599 -0.879 -6.113) 7.148 9.623 ( -4.016 -4.694 -4.305) 7.530 9.684 ( -1.855 -1.955 3.542) 4.451 9.814 ( -5.645 2.629 3.501) 7.144 9.951 ( -1.662 2.303 2.074) 3.517 10.070 ( -1.739 -3.193 0.704) 3.704 10.477 ( 10.753 -5.857 -3.359) 12.697 10.770 ( 1.873 -10.031 2.680) 10.550 11.136 ( 1.865 -2.208 1.392) 3.208 11.232 ( -4.672 7.348 -1.354) 8.812 11.293 ( -2.933 4.143 -1.222) 5.221 11.422 ( -1.651 7.661 -4.580) 9.077 11.586 ( 0.365 2.247 -1.317) 2.630 11.668 ( 2.024 1.295 2.731) 3.637 11.700 ( -1.571 2.660 2.868) 4.216 11.808 ( 3.604 -2.652 4.441) 6.305 12.031 ( 2.949 2.337 -4.212) 5.648 12.126 ( 1.495 2.494 -0.168) 2.913 12.193 ( 5.758 3.149 3.312) 7.351 12.433 ( 1.114 5.725 -6.290) 8.578 12.768 ( 9.285 -1.003 6.840) 11.576 12.846 ( 7.518 2.937 -0.439) 8.084 13.062 ( 3.825 0.517 -3.929) 5.508 15.775 ( -0.907 -0.984 -0.146) 1.346 15.866 ( -1.447 -1.902 0.148) 2.395 16.283 ( -1.319 -1.708 -0.240) 2.172 16.817 ( -0.517 2.733 -2.137) 3.508 16.887 ( -2.162 -0.629 3.755) 4.378 17.024 ( -4.711 6.488 1.252) 8.115 17.403 ( -0.686 7.227 1.086) 7.341 17.561 ( 1.499 1.898 6.269) 6.720 17.731 ( 1.115 -1.512 -11.889) 12.037 18.500 ( -8.651 -7.859 0.599) 11.703 18.753 ( -2.915 -9.230 9.054) 13.254 19.153 ( -1.403 -10.039 -6.997) 12.317 ======================= Grid point 15 (10/50) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 13.990 8.055 2.830) 16.390 2.603 ( 5.712 16.526 3.541) 17.841 2.806 ( -0.435 11.096 -3.083) 11.525 2.861 ( -7.946 -0.354 -2.164) 8.243 2.956 ( -2.818 5.875 -1.287) 6.642 3.021 ( -0.389 2.070 -2.088) 2.966 3.155 ( -2.848 4.956 -1.256) 5.852 3.163 ( -1.111 -0.040 -1.659) 1.998 3.252 ( -1.865 -4.321 3.097) 5.634 3.346 ( 0.462 -0.187 6.579) 6.598 3.527 ( 3.167 1.810 -1.415) 3.913 3.545 ( 1.324 1.808 -2.062) 3.045 3.586 ( 1.492 2.431 -0.170) 2.857 3.700 ( -4.481 2.902 0.831) 5.403 3.777 ( 1.447 -3.031 -1.339) 3.616 3.815 ( -1.318 -2.531 -1.363) 3.162 3.956 ( 0.069 4.139 -0.137) 4.142 4.042 ( -0.602 1.813 1.245) 2.280 4.092 ( -4.052 4.247 -0.023) 5.870 4.098 ( 2.895 0.126 -0.246) 2.908 4.181 ( -1.600 -3.125 0.204) 3.517 4.321 ( 10.960 5.249 -5.095) 13.177 4.394 ( 2.681 0.822 -0.525) 2.853 4.435 ( 1.785 0.756 0.261) 1.956 4.509 ( 2.222 -1.814 4.839) 5.626 4.583 ( -1.398 -0.787 0.134) 1.610 4.594 ( 0.030 3.080 -1.525) 3.437 4.675 ( 3.398 0.041 0.502) 3.435 4.685 ( 3.605 -0.100 -1.058) 3.758 4.721 ( 2.412 -0.728 2.318) 3.424 4.780 ( -1.709 -2.206 3.197) 4.244 4.874 ( -1.746 1.496 0.045) 2.299 4.990 ( 8.197 2.257 2.458) 8.850 5.014 ( 0.738 2.577 -0.290) 2.697 5.132 ( -1.547 -2.451 -6.712) 7.311 5.372 ( -0.764 -11.526 1.899) 11.707 6.030 ( -3.111 1.582 -0.265) 3.501 6.419 ( 1.616 -1.927 -0.005) 2.515 6.429 ( -1.914 1.720 0.291) 2.589 6.502 ( 0.690 1.552 -0.814) 1.883 6.727 ( 1.657 -1.985 0.658) 2.668 6.783 ( 1.141 -0.945 0.823) 1.695 6.839 ( 0.245 -3.636 -0.759) 3.722 6.885 ( 1.969 -0.771 -0.118) 2.118 7.031 ( 0.688 0.751 0.392) 1.091 7.787 ( -2.805 2.902 0.017) 4.037 7.860 ( -4.103 4.217 -0.320) 5.893 8.300 ( 0.679 -2.648 -0.307) 2.751 8.609 ( -3.099 0.217 -0.640) 3.172 8.703 ( -1.539 -3.783 1.454) 4.335 8.804 ( 0.496 0.077 4.349) 4.377 8.862 ( -2.745 -3.393 -4.033) 5.943 8.952 ( -1.511 2.821 -5.298) 6.189 9.014 ( -6.671 3.765 4.258) 8.764 9.349 ( 1.144 -3.126 0.962) 3.466 9.492 ( 1.154 -0.966 -3.025) 3.379 9.540 ( 0.627 -3.513 -2.332) 4.263 9.643 ( -0.903 -0.858 1.922) 2.290 9.757 ( -3.596 2.863 2.266) 5.124 9.952 ( -1.254 2.540 0.986) 2.999 10.023 ( -0.618 -1.617 0.486) 1.798 10.571 ( 7.957 -8.908 -2.506) 12.204 10.733 ( 4.772 -9.421 1.720) 10.699 11.146 ( 1.788 -2.464 0.714) 3.127 11.230 ( -3.691 6.742 -1.235) 7.785 11.280 ( -3.223 4.423 -0.141) 5.475 11.460 ( -3.785 8.632 -1.559) 9.554 11.616 ( 0.790 0.975 -1.471) 1.934 11.677 ( -3.423 4.079 3.427) 6.332 11.734 ( 2.447 1.076 -1.742) 3.191 11.808 ( 0.118 -2.797 3.757) 4.685 12.099 ( 2.046 1.042 -3.786) 4.428 12.150 ( -0.228 0.425 1.895) 1.955 12.271 ( -1.319 5.324 1.236) 5.622 12.502 ( 3.066 -1.041 -2.938) 4.372 12.865 ( 5.875 -5.427 2.319) 8.327 12.990 ( 3.976 1.110 2.866) 5.025 13.125 ( 4.177 -3.029 -3.962) 6.506 15.759 ( -0.140 -0.339 -0.088) 0.377 15.829 ( -0.519 -1.344 0.101) 1.444 16.254 ( -0.229 -1.049 -0.140) 1.082 16.812 ( 0.120 -1.995 -1.260) 2.362 16.864 ( -3.063 5.243 2.978) 6.763 17.004 ( -5.502 8.074 -0.219) 9.773 17.454 ( -3.846 9.501 0.308) 10.255 17.603 ( 0.489 3.442 8.485) 9.169 17.673 ( -3.408 -1.830 -11.219) 11.867 18.337 ( -1.329 -6.119 -1.403) 6.417 18.701 ( 4.514 -7.171 7.465) 11.293 19.046 ( 1.968 -10.133 -4.679) 11.333 ======================= Grid point 23 (11/50) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 11.324 19.614 0.000) 22.648 2.273 ( 14.033 24.306 0.000) 28.067 2.610 ( 9.868 17.092 0.000) 19.737 2.801 ( 6.731 11.658 0.000) 13.462 2.953 ( 3.306 5.727 0.000) 6.612 3.021 ( 4.679 8.104 0.000) 9.358 3.070 ( 7.245 12.549 0.000) 14.490 3.194 ( -1.598 -2.767 0.000) 3.196 3.266 ( 0.863 1.495 0.000) 1.727 3.271 ( 3.801 6.584 0.000) 7.603 3.430 ( 0.075 0.129 0.000) 0.149 3.454 ( 4.693 8.129 0.000) 9.387 3.625 ( 4.746 8.221 0.000) 9.492 3.669 ( 0.629 1.090 0.000) 1.259 3.841 ( -0.008 -0.015 0.000) 0.017 3.860 ( 1.663 2.881 0.000) 3.327 3.886 ( 0.703 1.217 0.000) 1.405 3.958 ( 1.635 2.832 0.000) 3.270 4.033 ( -1.755 -3.040 0.000) 3.511 4.055 ( 1.394 2.414 0.000) 2.788 4.134 ( 0.605 1.047 0.000) 1.209 4.183 ( -1.268 -2.197 0.000) 2.537 4.312 ( 1.177 2.039 0.000) 2.355 4.313 ( 4.410 7.639 0.000) 8.821 4.436 ( 1.970 3.412 0.000) 3.940 4.526 ( 0.863 1.494 0.000) 1.726 4.529 ( 6.152 10.656 0.000) 12.305 4.595 ( 2.846 4.929 0.000) 5.691 4.615 ( 1.475 2.556 0.000) 2.951 4.654 ( -0.336 -0.583 0.000) 0.673 4.745 ( -1.630 -2.823 0.000) 3.260 4.784 ( -0.983 -1.703 0.000) 1.966 4.891 ( -0.717 -1.242 0.000) 1.434 5.055 ( 1.090 1.888 0.000) 2.180 5.288 ( -1.518 -2.630 0.000) 3.036 5.421 ( -7.562 -13.098 0.000) 15.124 6.140 ( -1.372 -2.377 0.000) 2.745 6.375 ( -0.389 -0.674 0.000) 0.778 6.420 ( 2.234 3.870 0.000) 4.468 6.534 ( 1.561 2.704 0.000) 3.122 6.596 ( -1.138 -1.971 0.000) 2.276 6.762 ( 1.185 2.052 0.000) 2.369 6.838 ( 0.065 0.112 0.000) 0.129 6.914 ( -2.101 -3.639 0.000) 4.202 6.988 ( 1.081 1.873 0.000) 2.163 7.768 ( 2.006 3.475 0.000) 4.012 8.071 ( -2.408 -4.170 0.000) 4.816 8.302 ( -1.625 -2.814 0.000) 3.249 8.735 ( -3.031 -5.250 0.000) 6.063 8.762 ( -1.991 -3.449 0.000) 3.983 8.930 ( -3.219 -5.575 0.000) 6.438 8.939 ( -3.101 -5.371 0.000) 6.202 8.995 ( -0.394 -0.682 0.000) 0.788 9.306 ( -1.645 -2.849 0.000) 3.290 9.319 ( -1.074 -1.860 0.000) 2.147 9.398 ( -0.935 -1.620 0.000) 1.871 9.644 ( -2.617 -4.533 0.000) 5.235 9.676 ( -2.258 -3.911 0.000) 4.517 9.948 ( 0.403 0.698 0.000) 0.806 9.977 ( -0.116 -0.201 0.000) 0.232 10.057 ( -1.971 -3.415 0.000) 3.943 10.296 ( 0.244 0.423 0.000) 0.489 10.688 ( -4.534 -7.852 0.000) 9.067 11.106 ( -0.468 -0.810 0.000) 0.935 11.330 ( 1.976 3.423 0.000) 3.952 11.372 ( 1.287 2.228 0.000) 2.573 11.463 ( 1.978 3.426 0.000) 3.956 11.590 ( 0.053 0.092 0.000) 0.106 11.685 ( 1.176 2.037 0.000) 2.352 11.702 ( 1.478 2.560 0.000) 2.956 11.768 ( 2.369 4.104 0.000) 4.739 12.042 ( 1.678 2.906 0.000) 3.356 12.078 ( 3.431 5.942 0.000) 6.861 12.141 ( 2.191 3.794 0.000) 4.381 12.549 ( 1.162 2.013 0.000) 2.324 12.589 ( 3.294 5.705 0.000) 6.587 12.787 ( 2.275 3.940 0.000) 4.549 13.029 ( 0.902 1.562 0.000) 1.804 15.778 ( -0.766 -1.326 0.000) 1.532 15.868 ( -1.306 -2.261 0.000) 2.611 16.286 ( -1.259 -2.181 0.000) 2.518 16.836 ( 0.136 0.235 0.000) 0.271 16.911 ( -0.168 -0.291 0.000) 0.336 17.132 ( 4.408 7.634 0.000) 8.816 17.424 ( 2.021 3.501 0.000) 4.043 17.622 ( 1.975 3.420 0.000) 3.949 17.655 ( 1.666 2.885 0.000) 3.331 18.553 ( -6.513 -11.281 0.000) 13.026 18.726 ( -7.266 -12.586 0.000) 14.533 19.092 ( -5.915 -10.245 0.000) 11.830 ======================= Grid point 24 (12/50) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 13.275 15.027 1.460) 20.104 2.704 ( 6.415 19.310 1.905) 20.436 2.907 ( 0.511 8.093 -4.762) 9.404 2.951 ( 4.024 10.732 2.753) 11.787 3.016 ( 1.119 1.122 -2.111) 2.639 3.108 ( -4.188 3.065 -4.537) 6.894 3.136 ( 0.007 -3.247 1.531) 3.590 3.219 ( 0.072 1.188 4.335) 4.496 3.294 ( 3.238 8.957 0.702) 9.550 3.369 ( -1.484 0.543 1.398) 2.110 3.464 ( 4.140 4.113 -2.003) 6.170 3.566 ( 1.158 2.907 -0.303) 3.144 3.612 ( -4.311 1.579 2.310) 5.140 3.760 ( -1.113 -1.680 0.410) 2.057 3.807 ( -2.103 1.298 -2.421) 3.460 3.814 ( 1.570 1.625 -4.510) 5.045 3.942 ( 1.257 -2.136 1.263) 2.781 4.018 ( 3.580 -0.196 1.951) 4.082 4.072 ( 1.380 2.757 1.246) 3.326 4.130 ( 1.402 -2.208 -0.915) 2.771 4.183 ( 1.464 3.652 1.027) 4.066 4.242 ( 5.198 8.473 -2.786) 10.323 4.382 ( 2.417 4.388 -1.023) 5.113 4.430 ( -0.164 3.832 0.107) 3.837 4.463 ( -1.361 -2.306 3.461) 4.376 4.548 ( 2.429 -0.823 1.109) 2.794 4.580 ( 4.256 0.430 -2.140) 4.783 4.659 ( -0.950 0.902 -1.784) 2.213 4.671 ( 0.312 0.657 -0.006) 0.728 4.699 ( 1.607 1.950 2.439) 3.512 4.759 ( 0.787 -0.232 3.027) 3.136 4.845 ( 8.634 4.581 -0.757) 9.803 4.889 ( 0.116 0.379 -0.882) 0.967 5.075 ( -1.968 2.427 0.032) 3.125 5.135 ( -4.987 -6.577 -3.197) 8.851 5.245 ( -0.074 -12.548 1.952) 12.700 6.105 ( -2.135 1.905 -0.160) 2.866 6.363 ( 1.075 -2.732 0.056) 2.936 6.486 ( 0.426 3.045 1.169) 3.289 6.524 ( -2.673 2.779 -2.489) 4.590 6.634 ( 5.431 -1.942 1.556) 5.974 6.750 ( -0.538 -3.309 0.441) 3.381 6.828 ( -2.668 -3.846 -1.249) 4.844 6.848 ( 0.641 -1.224 0.548) 1.486 7.027 ( 0.886 1.296 0.263) 1.592 7.850 ( 1.137 5.571 0.161) 5.688 7.985 ( -4.578 1.259 -0.256) 4.755 8.253 ( 0.058 -3.979 -0.393) 3.999 8.659 ( -1.849 -0.209 -0.362) 1.895 8.699 ( -1.538 -2.716 1.405) 3.423 8.809 ( -3.071 -2.721 2.749) 4.938 8.856 ( -1.023 -4.711 -3.000) 5.678 9.013 ( -0.418 3.781 -3.513) 5.178 9.189 ( -7.682 2.239 4.526) 9.193 9.297 ( 0.462 -3.788 1.115) 3.975 9.425 ( 3.839 -0.985 -4.350) 5.885 9.539 ( -3.951 -3.558 -3.724) 6.492 9.605 ( 0.176 -5.632 4.732) 7.358 9.903 ( -6.259 4.968 -1.136) 8.071 9.984 ( 0.093 0.873 -1.860) 2.057 10.029 ( -0.387 -0.462 6.287) 6.316 10.333 ( 6.670 -7.032 -3.336) 10.250 10.569 ( 0.926 -9.065 0.939) 9.160 11.099 ( 0.752 -1.262 0.060) 1.471 11.362 ( -2.863 5.168 -1.119) 6.014 11.392 ( -2.180 4.042 0.345) 4.605 11.537 ( 2.217 3.246 -2.703) 4.771 11.601 ( 0.806 0.029 0.159) 0.822 11.714 ( 0.824 2.021 2.144) 3.059 11.762 ( 1.663 -0.260 2.419) 2.947 11.831 ( -2.653 8.611 0.174) 9.012 12.094 ( 0.563 4.355 -4.087) 5.999 12.180 ( -0.631 1.354 2.148) 2.616 12.237 ( 8.561 1.737 3.499) 9.410 12.518 ( -5.200 2.408 -9.210) 10.847 12.683 ( 6.430 -6.760 7.002) 11.665 12.906 ( 5.897 2.749 1.094) 6.597 13.045 ( 1.018 -1.959 -2.294) 3.184 15.759 ( -0.288 -0.438 -0.062) 0.528 15.824 ( -0.977 -2.065 0.070) 2.285 16.248 ( -0.669 -1.529 -0.081) 1.671 16.797 ( -1.044 -2.558 -0.075) 2.764 16.960 ( 0.268 6.037 1.225) 6.166 17.202 ( -5.395 7.346 -0.728) 9.144 17.544 ( 6.068 3.021 2.331) 7.168 17.651 ( -3.226 10.020 5.043) 11.672 17.745 ( 1.563 5.481 -9.280) 10.891 18.336 ( -7.224 -7.828 -3.352) 11.167 18.528 ( 1.050 -12.605 9.301) 15.700 18.886 ( -1.390 -15.330 -4.196) 15.955 ======================= Grid point 25 (13/50) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -2.296 3.977 0.000) 4.592 2.706 ( -1.161 2.010 -0.000) 2.321 2.991 ( -3.646 6.315 -0.000) 7.292 3.035 ( -1.102 1.908 0.000) 2.204 3.062 ( -2.098 3.634 0.000) 4.196 3.127 ( 0.613 -1.062 -0.000) 1.227 3.182 ( -1.109 1.920 0.000) 2.218 3.187 ( -8.596 14.889 -0.000) 17.192 3.279 ( -3.252 5.633 -0.000) 6.505 3.350 ( -0.706 1.223 0.000) 1.412 3.550 ( -0.399 0.691 -0.000) 0.798 3.578 ( -0.633 1.096 -0.000) 1.266 3.614 ( 0.254 -0.440 -0.000) 0.509 3.728 ( 0.428 -0.741 -0.000) 0.856 3.795 ( -0.281 0.487 0.000) 0.563 3.813 ( -3.560 6.166 0.000) 7.120 4.012 ( 1.053 -1.825 -0.000) 2.107 4.046 ( 1.480 -2.564 0.000) 2.961 4.052 ( 0.594 -1.029 -0.000) 1.189 4.143 ( 0.339 -0.587 -0.000) 0.678 4.220 ( -2.812 4.871 0.000) 5.624 4.322 ( 1.234 -2.137 0.000) 2.468 4.416 ( -0.301 0.521 -0.000) 0.602 4.440 ( 0.288 -0.499 0.000) 0.576 4.442 ( 0.335 -0.580 -0.000) 0.670 4.585 ( -0.817 1.415 0.000) 1.634 4.635 ( 2.446 -4.236 0.000) 4.892 4.659 ( -0.536 0.928 0.000) 1.071 4.674 ( 0.100 -0.173 -0.000) 0.200 4.709 ( 0.440 -0.761 -0.000) 0.879 4.792 ( -2.409 4.172 0.000) 4.817 4.882 ( 0.468 -0.811 0.000) 0.937 4.985 ( 1.938 -3.357 -0.000) 3.876 5.057 ( 0.193 -0.335 0.000) 0.386 5.065 ( 1.479 -2.563 0.000) 2.959 5.144 ( 4.558 -7.895 -0.000) 9.117 6.098 ( -2.638 4.569 0.000) 5.276 6.358 ( 2.248 -3.893 -0.000) 4.495 6.488 ( -2.208 3.824 -0.000) 4.416 6.537 ( -1.044 1.809 0.000) 2.088 6.690 ( 1.163 -2.014 0.000) 2.326 6.734 ( 2.875 -4.979 -0.000) 5.749 6.752 ( 1.238 -2.145 0.000) 2.477 6.843 ( 1.500 -2.598 -0.000) 3.000 7.041 ( -0.156 0.269 -0.000) 0.311 7.892 ( -3.457 5.987 -0.000) 6.913 7.953 ( -2.422 4.195 0.000) 4.843 8.230 ( 2.265 -3.923 0.000) 4.530 8.649 ( -1.591 2.756 -0.000) 3.183 8.663 ( 0.059 -0.103 0.000) 0.118 8.790 ( 1.682 -2.914 0.000) 3.365 8.803 ( 0.484 -0.838 -0.000) 0.967 9.046 ( -3.005 5.205 -0.000) 6.010 9.109 ( -3.264 5.653 0.000) 6.528 9.283 ( 1.730 -2.996 -0.000) 3.460 9.464 ( 1.089 -1.885 -0.000) 2.177 9.476 ( 1.117 -1.935 -0.000) 2.234 9.572 ( 3.156 -5.466 0.000) 6.311 9.869 ( -3.937 6.819 0.000) 7.874 9.995 ( -0.606 1.050 -0.000) 1.212 10.017 ( -0.950 1.646 0.000) 1.901 10.360 ( 6.019 -10.425 0.000) 12.037 10.531 ( 5.224 -9.048 -0.000) 10.448 11.100 ( 0.927 -1.605 -0.000) 1.853 11.360 ( -3.163 5.479 0.000) 6.327 11.391 ( -2.749 4.761 0.000) 5.498 11.579 ( -1.253 2.171 0.000) 2.507 11.609 ( 0.306 -0.530 -0.000) 0.612 11.743 ( 1.705 -2.952 0.000) 3.409 11.762 ( -1.620 2.806 -0.000) 3.240 11.852 ( -5.935 10.280 -0.000) 11.870 12.139 ( -0.803 1.391 0.000) 1.606 12.164 ( -1.164 2.017 -0.000) 2.329 12.369 ( -1.674 2.899 -0.000) 3.348 12.440 ( 2.283 -3.954 0.000) 4.566 12.703 ( 5.019 -8.694 0.000) 10.039 12.994 ( 0.475 -0.823 0.000) 0.951 13.029 ( 2.752 -4.767 -0.000) 5.504 15.756 ( -0.051 0.089 0.000) 0.102 15.802 ( 0.699 -1.211 -0.000) 1.398 16.234 ( 0.466 -0.808 0.000) 0.932 16.772 ( 0.847 -1.466 -0.000) 1.693 17.005 ( -3.903 6.760 -0.000) 7.806 17.170 ( -3.622 6.273 0.000) 7.243 17.609 ( 0.192 -0.333 -0.000) 0.384 17.693 ( -7.141 12.369 -0.000) 14.283 17.817 ( -7.701 13.339 0.000) 15.403 18.193 ( 3.790 -6.564 0.000) 7.579 18.488 ( 7.386 -12.792 0.000) 14.771 18.780 ( 8.516 -14.751 -0.000) 17.033 ======================= Grid point 35 (14/50) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 7.342 12.716 0.000) 14.683 2.815 ( -1.857 -3.217 0.000) 3.714 2.926 ( -4.425 -7.665 0.000) 8.850 3.054 ( 1.073 1.859 0.000) 2.147 3.064 ( -0.016 -0.028 0.000) 0.032 3.183 ( 6.479 11.222 0.000) 12.957 3.216 ( 4.267 7.391 0.000) 8.535 3.337 ( -1.743 -3.020 0.000) 3.487 3.400 ( 1.270 2.199 0.000) 2.540 3.427 ( 5.780 10.011 0.000) 11.560 3.553 ( -1.534 -2.656 0.000) 3.067 3.596 ( 1.284 2.223 0.000) 2.567 3.597 ( 0.463 0.802 0.000) 0.926 3.721 ( -0.792 -1.372 0.000) 1.585 3.799 ( -1.238 -2.144 0.000) 2.476 3.876 ( 0.893 1.546 0.000) 1.785 3.935 ( 1.617 2.801 0.000) 3.235 4.014 ( -0.262 -0.454 0.000) 0.524 4.060 ( -0.743 -1.287 0.000) 1.487 4.113 ( -0.717 -1.242 0.000) 1.434 4.247 ( -2.200 -3.811 0.000) 4.400 4.319 ( 4.830 8.366 0.000) 9.660 4.429 ( -0.445 -0.771 0.000) 0.890 4.464 ( 1.754 3.038 0.000) 3.508 4.489 ( -1.354 -2.345 0.000) 2.708 4.504 ( -1.423 -2.465 0.000) 2.846 4.615 ( 0.969 1.678 0.000) 1.938 4.640 ( -0.096 -0.166 0.000) 0.191 4.699 ( 0.711 1.232 0.000) 1.422 4.720 ( 0.615 1.064 0.000) 1.229 4.831 ( 2.878 4.985 0.000) 5.756 4.909 ( 0.806 1.396 0.000) 1.612 4.915 ( 0.852 1.476 0.000) 1.705 4.955 ( -3.299 -5.713 0.000) 6.597 5.054 ( -4.433 -7.677 0.000) 8.865 5.108 ( 0.249 0.431 0.000) 0.498 6.172 ( 2.276 3.942 0.000) 4.552 6.293 ( -2.170 -3.759 0.000) 4.341 6.548 ( 1.416 2.453 0.000) 2.832 6.575 ( 0.878 1.521 0.000) 1.757 6.634 ( 1.468 2.542 0.000) 2.936 6.668 ( -2.104 -3.644 0.000) 4.208 6.736 ( -2.695 -4.667 0.000) 5.389 6.810 ( -0.943 -1.633 0.000) 1.885 7.043 ( 0.203 0.352 0.000) 0.407 7.969 ( 2.805 4.858 0.000) 5.610 8.007 ( 0.299 0.518 0.000) 0.598 8.171 ( -1.949 -3.375 0.000) 3.897 8.676 ( 0.238 0.412 0.000) 0.476 8.688 ( 1.007 1.745 0.000) 2.015 8.737 ( -1.933 -3.349 0.000) 3.867 8.798 ( -0.732 -1.268 0.000) 1.465 9.110 ( 2.915 5.050 0.000) 5.831 9.201 ( -0.944 -1.635 0.000) 1.889 9.247 ( -0.461 -0.799 0.000) 0.923 9.424 ( 0.619 1.073 0.000) 1.239 9.471 ( -1.852 -3.208 0.000) 3.705 9.482 ( -2.516 -4.357 0.000) 5.031 9.976 ( 0.477 0.826 0.000) 0.953 9.988 ( 0.391 0.678 0.000) 0.783 10.069 ( 2.126 3.682 0.000) 4.251 10.208 ( -2.734 -4.735 0.000) 5.468 10.422 ( -2.469 -4.277 0.000) 4.939 11.084 ( -0.169 -0.294 0.000) 0.339 11.430 ( 0.710 1.230 0.000) 1.421 11.438 ( 0.498 0.863 0.000) 0.997 11.589 ( 1.255 2.173 0.000) 2.509 11.610 ( 0.213 0.369 0.000) 0.426 11.701 ( -0.754 -1.306 0.000) 1.508 11.802 ( 0.981 1.700 0.000) 1.963 12.003 ( 3.946 6.835 0.000) 7.892 12.145 ( -1.657 -2.871 0.000) 3.315 12.234 ( 3.673 6.362 0.000) 7.347 12.284 ( 2.164 3.749 0.000) 4.329 12.462 ( -5.384 -9.325 0.000) 10.767 12.586 ( -0.194 -0.336 0.000) 0.388 12.955 ( 1.144 1.982 0.000) 2.288 12.997 ( -1.285 -2.226 0.000) 2.570 15.760 ( 0.267 0.463 0.000) 0.535 15.786 ( -0.833 -1.442 0.000) 1.665 16.225 ( -0.359 -0.621 0.000) 0.718 16.757 ( -0.651 -1.128 0.000) 1.303 17.088 ( 3.415 5.915 0.000) 6.830 17.227 ( -2.167 -3.754 0.000) 4.334 17.624 ( 2.360 4.088 0.000) 4.721 17.879 ( 6.411 11.104 0.000) 12.821 17.976 ( 7.284 12.616 0.000) 14.568 18.199 ( -3.445 -5.966 0.000) 6.890 18.255 ( -6.231 -10.792 0.000) 12.461 18.560 ( -8.149 -14.114 0.000) 16.297 ======================= Grid point 109 (15/50) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 0.000 -0.000 28.079) 28.079 0.519 ( 0.000 0.000 28.079) 28.079 1.087 ( 0.000 0.000 58.651) 58.651 1.475 ( 0.000 -0.000 -23.302) 23.302 1.475 ( 0.000 0.000 -23.302) 23.302 2.181 ( 0.000 -0.000 13.469) 13.469 2.181 ( 0.000 0.000 13.469) 13.469 2.478 ( 0.000 -0.000 -2.916) 2.916 2.478 ( 0.000 0.000 -2.916) 2.916 2.991 ( 0.000 0.000 -38.495) 38.495 3.175 ( 0.000 0.000 4.298) 4.298 3.391 ( 0.000 0.000 -1.456) 1.456 3.391 ( 0.000 -0.000 -1.456) 1.456 3.542 ( 0.000 0.000 -9.286) 9.286 3.558 ( 0.000 0.000 -5.608) 5.608 3.613 ( 0.000 0.000 1.116) 1.116 3.613 ( 0.000 0.000 1.116) 1.116 3.864 ( 0.000 0.000 2.023) 2.023 3.902 ( 0.000 -0.000 5.325) 5.325 4.110 ( 0.000 0.000 -1.689) 1.689 4.110 ( 0.000 0.000 -1.689) 1.689 4.233 ( 0.000 0.000 7.504) 7.504 4.327 ( 0.000 0.000 -1.168) 1.168 4.358 ( 0.000 -0.000 2.289) 2.289 4.358 ( 0.000 -0.000 2.289) 2.289 4.483 ( 0.000 -0.000 -1.251) 1.251 4.483 ( 0.000 0.000 -1.251) 1.251 4.523 ( 0.000 -0.000 0.180) 0.180 4.523 ( 0.000 -0.000 0.180) 0.180 4.914 ( 0.000 0.000 -0.115) 0.115 4.914 ( 0.000 0.000 -0.115) 0.115 4.921 ( 0.000 0.000 0.220) 0.220 4.921 ( 0.000 0.000 0.220) 0.220 5.183 ( 0.000 0.000 2.835) 2.835 5.296 ( 0.000 0.000 8.190) 8.190 5.504 ( 0.000 0.000 -1.261) 1.261 6.100 ( 0.000 0.000 -2.574) 2.574 6.330 ( -0.000 0.000 4.309) 4.309 6.360 ( 0.000 0.000 0.486) 0.486 6.360 ( 0.000 -0.000 0.486) 0.486 6.477 ( 0.000 0.000 -2.025) 2.025 6.718 ( 0.000 0.000 -1.138) 1.138 6.718 ( 0.000 0.000 -1.138) 1.138 7.024 ( 0.000 0.000 0.670) 0.670 7.024 ( 0.000 0.000 0.670) 0.670 7.651 ( 0.000 0.000 -0.097) 0.097 7.651 ( -0.000 0.000 -0.097) 0.097 8.866 ( 0.000 0.000 -7.541) 7.541 8.942 ( 0.000 0.000 0.721) 0.721 8.942 ( 0.000 0.000 0.721) 0.721 9.057 ( 0.000 0.000 0.825) 0.825 9.057 ( 0.000 0.000 0.825) 0.825 9.199 ( 0.000 0.000 5.210) 5.210 9.391 ( 0.000 0.000 -4.243) 4.243 9.391 ( 0.000 -0.000 -4.243) 4.243 9.775 ( 0.000 0.000 0.081) 0.081 9.819 ( 0.000 0.000 2.793) 2.793 9.819 ( 0.000 0.000 2.793) 2.793 10.052 ( 0.000 -0.000 1.804) 1.804 10.052 ( 0.000 0.000 1.804) 1.804 11.026 ( 0.000 0.000 -5.643) 5.643 11.026 ( 0.000 -0.000 -5.643) 5.643 11.185 ( 0.000 0.000 2.609) 2.609 11.211 ( 0.000 0.000 2.464) 2.464 11.211 ( 0.000 0.000 2.464) 2.464 11.301 ( 0.000 -0.000 -0.699) 0.699 11.301 ( 0.000 -0.000 -0.699) 0.699 11.551 ( -0.000 0.000 -1.274) 1.274 11.551 ( 0.000 0.000 -1.274) 1.274 11.653 ( 0.000 0.000 -2.762) 2.762 11.707 ( 0.000 0.000 6.020) 6.020 11.707 ( 0.000 0.000 6.020) 6.020 11.896 ( 0.000 -0.000 -2.645) 2.645 11.896 ( 0.000 0.000 -2.645) 2.645 11.967 ( 0.000 -0.000 1.573) 1.573 12.019 ( 0.000 0.000 -0.693) 0.693 12.785 ( 0.000 0.000 -3.850) 3.850 12.998 ( 0.000 0.000 3.625) 3.625 15.864 ( 0.000 0.000 -2.018) 2.018 15.999 ( 0.000 0.000 2.211) 2.211 16.445 ( 0.000 0.000 -0.295) 0.295 16.681 ( 0.000 -0.000 -3.248) 3.248 16.681 ( 0.000 -0.000 -3.248) 3.248 16.930 ( 0.000 0.000 5.642) 5.642 16.930 ( 0.000 0.000 5.642) 5.642 17.181 ( 0.000 0.000 -2.469) 2.469 17.181 ( 0.000 0.000 -2.469) 2.469 19.386 ( 0.000 0.000 -0.021) 0.021 19.671 ( 0.000 0.000 0.121) 0.121 19.697 ( 0.000 0.000 -0.106) 0.106 ======================= Grid point 110 (16/50) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 21.278 12.285 20.005) 31.684 0.956 ( 24.669 14.243 19.065) 34.277 1.429 ( 28.655 16.544 37.698) 50.159 1.502 ( 6.535 3.773 -22.125) 23.377 1.818 ( 20.831 12.027 -19.777) 31.140 2.301 ( 7.489 4.324 11.214) 14.161 2.336 ( 13.999 8.083 12.868) 20.661 2.524 ( 4.229 2.442 -3.325) 5.908 2.627 ( 11.155 6.440 -1.404) 12.957 3.056 ( 6.228 3.596 -32.119) 32.915 3.206 ( 2.219 1.281 1.899) 3.189 3.426 ( 3.006 1.735 0.929) 3.593 3.463 ( 5.305 3.063 -1.428) 6.290 3.520 ( -3.714 -2.144 -1.336) 4.491 3.593 ( 3.315 1.914 -5.876) 7.012 3.616 ( -2.544 -1.469 -4.114) 5.055 3.630 ( 1.939 1.120 -1.235) 2.557 3.711 ( -1.231 -0.711 0.580) 1.535 3.938 ( 2.287 1.320 4.248) 5.002 4.106 ( 0.220 0.127 -1.627) 1.647 4.181 ( 1.708 0.986 -0.152) 1.978 4.183 ( -0.425 -0.245 4.439) 4.466 4.302 ( -0.055 -0.032 0.319) 0.325 4.354 ( -0.747 -0.431 2.378) 2.529 4.419 ( 1.571 0.907 -0.633) 1.921 4.428 ( -3.079 -1.778 -0.612) 3.608 4.461 ( -2.176 -1.256 -0.166) 2.518 4.492 ( -2.738 -1.581 -0.467) 3.196 4.552 ( 1.983 1.145 3.503) 4.185 4.693 ( -3.588 -2.072 9.411) 10.282 4.874 ( -2.642 -1.525 -1.919) 3.604 4.914 ( -0.083 -0.048 -0.083) 0.127 4.949 ( 1.792 1.035 0.053) 2.070 5.217 ( -5.893 -3.402 7.326) 9.999 5.362 ( 0.119 0.068 3.286) 3.289 5.751 ( 8.595 4.963 -15.433) 18.349 6.131 ( 2.564 1.480 -2.294) 3.745 6.328 ( -1.594 -0.920 0.966) 2.078 6.368 ( 0.829 0.479 0.399) 1.037 6.372 ( 2.193 1.266 3.528) 4.343 6.508 ( 2.581 1.490 -2.033) 3.608 6.692 ( -1.413 -0.816 -0.704) 1.777 6.751 ( 1.772 1.023 -1.535) 2.557 7.011 ( -0.445 -0.257 -0.422) 0.665 7.018 ( -0.919 -0.531 0.332) 1.112 7.665 ( 1.095 0.632 -0.059) 1.265 7.884 ( 11.811 6.819 -11.621) 17.918 8.705 ( -7.844 -4.529 5.734) 10.719 8.964 ( -2.230 -1.288 -4.200) 4.926 9.002 ( 1.247 0.720 -8.840) 8.956 9.003 ( 0.087 0.050 5.916) 5.917 9.128 ( -3.970 -2.292 3.141) 5.557 9.157 ( 4.532 2.616 1.160) 5.360 9.360 ( -2.596 -1.499 -3.656) 4.728 9.395 ( 0.046 0.026 -5.068) 5.069 9.730 ( -5.036 -2.908 2.920) 6.508 9.801 ( -2.045 -1.180 3.971) 4.620 9.829 ( -0.385 -0.223 1.540) 1.603 10.003 ( -3.318 -1.915 2.166) 4.401 10.018 ( -2.256 -1.302 2.145) 3.374 10.431 ( -22.021 -12.714 10.754) 27.608 10.940 ( -14.956 -8.635 10.039) 19.975 11.011 ( -0.874 -0.505 -5.840) 5.927 11.205 ( 0.190 0.110 3.021) 3.029 11.235 ( -2.266 -1.308 -4.247) 4.988 11.283 ( -1.215 -0.702 -0.317) 1.438 11.435 ( 6.615 3.819 1.384) 7.762 11.538 ( -0.367 -0.212 -0.221) 0.478 11.542 ( -7.056 -4.074 6.750) 10.580 11.630 ( 6.044 3.490 3.046) 7.615 11.671 ( 0.120 0.070 7.109) 7.110 11.801 ( 3.037 1.753 7.306) 8.104 11.811 ( 6.971 4.024 -2.655) 8.476 11.879 ( 1.465 0.846 -5.586) 5.837 11.957 ( 0.747 0.432 0.558) 1.028 12.304 ( 7.974 4.604 -8.263) 12.372 12.738 ( -2.096 -1.210 1.200) 2.702 12.893 ( -1.682 -0.971 2.984) 3.560 15.851 ( -0.980 -0.566 -1.839) 2.159 15.986 ( -1.034 -0.597 1.887) 2.233 16.410 ( -1.893 -1.093 -1.238) 2.512 16.681 ( 0.100 0.058 -3.350) 3.352 16.939 ( 0.595 0.344 5.922) 5.962 17.032 ( 7.626 4.403 5.999) 10.655 17.096 ( 18.336 10.586 -9.037) 23.020 17.195 ( 1.215 0.701 -2.642) 2.991 17.321 ( 6.327 3.653 -7.285) 10.317 19.307 ( -5.780 -3.337 -3.384) 7.483 19.492 ( -13.326 -7.694 3.527) 15.786 19.557 ( -8.795 -5.078 0.112) 10.156 ======================= Grid point 111 (17/50) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 21.641 12.495 13.212) 28.267 1.468 ( 20.242 11.687 22.517) 32.455 1.759 ( 14.243 8.223 -16.525) 23.315 2.261 ( 33.878 19.560 5.448) 39.497 2.303 ( 19.790 11.426 -14.949) 27.307 2.506 ( 9.036 5.217 7.207) 12.681 2.671 ( 7.864 4.541 -2.286) 9.364 2.752 ( 18.840 10.877 9.305) 23.661 2.952 ( 15.149 8.746 2.891) 17.730 3.269 ( 2.935 1.695 -2.480) 4.200 3.285 ( 9.103 5.256 -8.162) 13.308 3.402 ( -4.319 -2.493 1.137) 5.115 3.510 ( 2.988 1.725 5.564) 6.547 3.581 ( 4.755 2.745 -18.022) 18.840 3.615 ( 5.661 3.268 -2.513) 7.003 3.672 ( 3.765 2.174 -0.357) 4.363 3.707 ( 3.357 1.938 -3.866) 5.475 3.799 ( 6.291 3.632 -1.659) 7.451 3.959 ( -0.760 -0.439 0.525) 1.023 4.137 ( 1.295 0.748 -1.234) 1.939 4.165 ( -0.733 -0.423 0.573) 1.022 4.222 ( 1.105 0.638 0.458) 1.356 4.329 ( 0.603 0.348 0.141) 0.711 4.335 ( -0.153 -0.088 2.552) 2.558 4.381 ( 0.364 0.210 -0.010) 0.421 4.387 ( -3.528 -2.037 1.250) 4.262 4.411 ( -3.467 -2.002 -0.946) 4.113 4.420 ( 0.042 0.024 -1.317) 1.318 4.584 ( 0.797 0.460 6.238) 6.306 4.654 ( -1.229 -0.710 4.855) 5.058 4.846 ( 0.782 0.451 -3.853) 3.958 4.904 ( -0.833 -0.481 0.023) 0.962 4.987 ( 1.210 0.698 -0.270) 1.423 5.064 ( -5.651 -3.263 3.974) 7.640 5.315 ( -3.832 -2.212 7.729) 8.906 5.799 ( -2.131 -1.231 -6.302) 6.766 6.201 ( 1.345 0.777 -0.767) 1.733 6.276 ( -0.744 -0.430 -1.362) 1.610 6.395 ( 1.237 0.714 0.315) 1.463 6.446 ( 3.237 1.869 4.170) 5.600 6.595 ( 4.532 2.616 -1.569) 5.463 6.665 ( -0.208 -0.120 -0.199) 0.312 6.787 ( 1.038 0.599 -1.184) 1.685 6.980 ( -2.237 -1.292 -0.278) 2.598 7.006 ( 0.018 0.011 -1.583) 1.583 7.700 ( 1.783 1.030 -0.027) 2.059 8.041 ( 1.049 0.606 -8.609) 8.694 8.538 ( -5.908 -3.411 10.151) 12.230 8.885 ( -3.526 -2.036 -4.229) 5.870 8.946 ( -5.092 -2.940 -2.292) 6.310 9.013 ( -0.151 -0.087 6.378) 6.380 9.029 ( -4.285 -2.474 -3.239) 5.914 9.268 ( -4.940 -2.852 -2.585) 6.263 9.271 ( 4.013 2.317 -1.318) 4.817 9.362 ( -4.359 -2.517 -1.665) 5.301 9.529 ( -7.438 -4.294 3.338) 9.214 9.730 ( -4.206 -2.428 -2.799) 5.605 9.787 ( -3.252 -1.878 -0.979) 3.881 9.966 ( -1.040 -0.600 1.876) 2.227 9.973 ( -1.100 -0.635 2.848) 3.118 10.123 ( -7.476 -4.316 -3.213) 9.211 10.692 ( -5.610 -3.239 13.861) 15.300 10.994 ( -0.348 -0.201 -5.403) 5.418 11.098 ( -7.406 -4.276 -9.759) 12.976 11.216 ( 0.519 0.300 2.180) 2.261 11.252 ( -1.091 -0.630 0.810) 1.498 11.403 ( -2.911 -1.681 14.602) 14.983 11.534 ( -0.023 -0.013 0.165) 0.167 11.581 ( 4.971 2.870 3.506) 6.726 11.748 ( 5.096 2.942 2.447) 6.373 11.818 ( 5.960 3.441 -1.552) 7.054 11.835 ( 0.523 0.302 4.072) 4.116 11.941 ( 7.258 4.191 -1.097) 8.453 11.960 ( 4.233 2.444 -3.174) 5.828 12.066 ( 6.784 3.917 -2.222) 8.142 12.481 ( 7.714 4.454 -5.693) 10.571 12.733 ( 2.148 1.240 4.091) 4.784 12.909 ( 1.999 1.154 -2.032) 3.076 15.821 ( -1.413 -0.816 -1.198) 2.024 15.951 ( -1.823 -1.053 1.069) 2.361 16.356 ( -2.504 -1.446 -1.236) 3.145 16.685 ( 0.269 0.155 -3.647) 3.660 16.958 ( 1.007 0.581 6.566) 6.668 17.182 ( 2.047 1.182 6.453) 6.873 17.233 ( 1.851 1.069 -2.979) 3.666 17.429 ( 8.751 5.052 -2.402) 10.386 17.446 ( 7.401 4.273 -4.483) 9.650 19.073 ( -15.484 -8.940 -0.677) 17.893 19.188 ( -10.421 -6.017 -2.333) 12.257 19.330 ( -8.102 -4.678 0.831) 9.392 ======================= Grid point 112 (18/50) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 18.614 10.747 6.466) 22.445 1.947 ( 19.905 11.492 17.318) 28.778 2.137 ( 16.671 9.625 -8.352) 20.984 2.602 ( 9.317 5.379 -24.063) 26.359 2.703 ( 7.212 4.164 2.730) 8.764 2.871 ( 7.944 4.586 -0.282) 9.177 2.978 ( 17.730 10.236 5.457) 21.187 3.159 ( 9.240 5.334 0.837) 10.702 3.269 ( 6.673 3.852 3.126) 8.315 3.312 ( 7.148 4.127 4.907) 9.602 3.342 ( 3.167 1.828 -5.147) 6.314 3.403 ( 5.206 3.006 3.393) 6.903 3.533 ( -1.354 -0.782 6.606) 6.789 3.725 ( -0.404 -0.233 -1.263) 1.346 3.754 ( 6.773 3.911 -0.956) 7.880 3.774 ( 2.569 1.483 1.407) 3.283 3.821 ( 7.568 4.369 -4.714) 9.929 3.921 ( -2.416 -1.395 -1.317) 3.085 4.042 ( 10.763 6.214 -4.742) 13.302 4.128 ( 1.080 0.623 -1.438) 1.903 4.129 ( -1.526 -0.881 -0.893) 1.975 4.180 ( -6.455 -3.727 0.376) 7.463 4.314 ( 5.700 3.291 -4.109) 7.759 4.328 ( -0.679 -0.392 -0.969) 1.246 4.359 ( 0.045 0.026 -0.692) 0.694 4.370 ( 1.959 1.131 2.459) 3.341 4.492 ( 6.943 4.009 -1.053) 8.086 4.503 ( 4.126 2.382 -0.409) 4.781 4.588 ( -1.186 -0.684 -0.672) 1.525 4.666 ( 4.655 2.687 4.850) 7.240 4.877 ( -1.229 -0.709 0.158) 1.428 4.883 ( 1.719 0.993 -2.108) 2.896 4.970 ( -2.441 -1.409 0.466) 2.857 5.001 ( -0.060 -0.034 -0.527) 0.532 5.192 ( -6.047 -3.491 9.822) 12.050 5.709 ( -5.059 -2.921 -2.137) 6.220 6.128 ( -4.831 -2.789 -0.496) 5.600 6.356 ( 4.666 2.694 -1.679) 5.644 6.420 ( 0.812 0.469 0.200) 0.959 6.484 ( -0.210 -0.121 3.833) 3.840 6.695 ( 4.021 2.321 1.758) 4.965 6.731 ( 5.178 2.990 -2.395) 6.441 6.791 ( -0.879 -0.508 -1.757) 2.030 6.919 ( -2.668 -1.540 -0.763) 3.174 7.014 ( 0.764 0.441 -0.409) 0.973 7.745 ( 1.847 1.066 -0.101) 2.135 7.959 ( -6.673 -3.852 -4.108) 8.732 8.431 ( -3.354 -1.936 8.338) 9.193 8.795 ( -7.225 -4.172 -1.179) 8.426 8.809 ( -2.737 -1.580 -4.576) 5.561 8.921 ( -4.436 -2.561 -3.564) 6.240 8.982 ( -2.780 -1.605 5.033) 5.969 9.142 ( -4.930 -2.846 0.730) 5.739 9.182 ( -8.430 -4.867 6.411) 11.656 9.338 ( 1.696 0.979 -3.251) 3.795 9.436 ( -2.375 -1.371 -4.121) 4.950 9.604 ( -4.976 -2.873 -4.759) 7.461 9.693 ( -4.103 -2.369 -2.499) 5.357 9.919 ( -3.393 -1.959 0.482) 3.947 9.962 ( -0.095 -0.055 2.615) 2.617 10.021 ( -1.781 -1.028 -3.207) 3.810 10.612 ( -1.734 -1.001 3.750) 4.251 10.996 ( -0.816 -0.471 1.563) 1.825 11.000 ( 0.864 0.499 -4.847) 4.948 11.217 ( -0.368 -0.213 -1.749) 1.800 11.247 ( 0.587 0.339 3.975) 4.033 11.378 ( 0.206 0.119 11.228) 11.231 11.535 ( 0.085 0.049 -0.072) 0.122 11.645 ( 0.849 0.490 1.142) 1.505 11.836 ( -0.536 -0.310 4.560) 4.602 11.889 ( 4.648 2.684 -5.000) 7.335 11.904 ( 3.794 2.190 5.593) 7.104 12.054 ( 3.457 1.996 -3.084) 5.044 12.121 ( 5.276 3.046 -1.248) 6.219 12.250 ( 8.463 4.886 -2.090) 9.993 12.686 ( 9.825 5.672 -6.544) 13.097 12.850 ( 6.972 4.025 6.467) 10.326 12.960 ( 1.910 1.102 -3.544) 4.174 15.788 ( -1.254 -0.724 -0.454) 1.518 15.902 ( -2.190 -1.264 0.249) 2.541 16.298 ( -2.219 -1.281 -1.100) 2.789 16.694 ( 0.419 0.242 -3.998) 4.027 16.983 ( 1.011 0.583 7.255) 7.348 17.118 ( -5.580 -3.221 3.981) 7.573 17.277 ( 1.747 1.008 -3.312) 3.878 17.544 ( 0.151 0.087 -7.532) 7.534 17.646 ( 8.883 5.129 6.006) 11.886 18.668 ( -16.594 -9.581 -1.541) 19.223 18.965 ( -8.309 -4.797 -4.524) 10.608 19.204 ( -2.837 -1.638 3.663) 4.913 ======================= Grid point 113 (19/50) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 13.210 7.627 1.764) 15.355 2.404 ( 18.220 10.519 11.975) 24.208 2.509 ( 13.548 7.822 -2.475) 15.838 2.751 ( 1.705 0.984 -18.038) 18.145 2.839 ( 3.991 2.304 -0.001) 4.608 2.992 ( 1.520 0.877 0.568) 1.844 3.034 ( -4.598 -2.655 1.527) 5.524 3.165 ( -0.984 -0.568 -1.507) 1.887 3.396 ( -1.611 -0.930 -1.155) 2.190 3.428 ( 1.697 0.980 3.560) 4.064 3.463 ( 4.816 2.781 -1.945) 5.892 3.479 ( 0.811 0.468 1.501) 1.769 3.616 ( 4.477 2.585 10.774) 11.950 3.690 ( -2.536 -1.464 -0.477) 2.966 3.813 ( 0.962 0.555 0.321) 1.156 3.860 ( -1.643 -0.949 0.462) 1.953 3.921 ( 0.525 0.303 1.523) 1.639 4.029 ( 9.233 5.331 0.190) 10.663 4.044 ( 1.193 0.689 0.727) 1.558 4.053 ( -4.234 -2.445 -1.217) 5.038 4.081 ( 6.392 3.690 -3.031) 7.978 4.251 ( -1.410 -0.814 0.789) 1.809 4.377 ( 3.721 2.149 1.192) 4.459 4.416 ( 2.451 1.415 -4.021) 4.917 4.441 ( 2.968 1.714 2.046) 3.992 4.521 ( 3.811 2.200 -3.539) 5.647 4.558 ( 6.944 4.009 -5.121) 9.514 4.614 ( 2.610 1.507 -1.992) 3.613 4.643 ( 4.796 2.769 -2.304) 5.998 4.830 ( 3.327 1.921 3.039) 4.899 4.851 ( -0.866 -0.500 0.202) 1.020 4.904 ( 3.751 2.165 2.831) 5.174 4.976 ( 2.982 1.721 -5.846) 6.785 4.991 ( -0.582 -0.336 -0.688) 0.962 5.051 ( -5.132 -2.963 10.339) 11.917 5.566 ( -6.656 -3.843 -0.393) 7.696 6.020 ( -3.644 -2.104 -0.901) 4.303 6.435 ( 0.763 0.440 0.100) 0.886 6.436 ( 0.550 0.317 0.030) 0.636 6.478 ( 1.131 0.653 2.666) 2.969 6.750 ( -2.083 -1.203 -2.169) 3.239 6.784 ( 2.441 1.409 0.582) 2.878 6.843 ( 2.827 1.632 -1.876) 3.765 6.875 ( 0.293 0.169 -0.101) 0.353 7.039 ( 1.083 0.625 1.029) 1.620 7.783 ( 1.214 0.701 -0.246) 1.423 7.795 ( -5.812 -3.356 -1.367) 6.849 8.364 ( -2.364 -1.365 3.490) 4.431 8.637 ( -5.122 -2.957 0.399) 5.928 8.764 ( -0.856 -0.494 -5.180) 5.273 8.808 ( -5.172 -2.986 -2.533) 6.487 8.879 ( -5.043 -2.911 1.037) 5.914 9.029 ( -3.601 -2.079 9.154) 10.054 9.066 ( -1.535 -0.886 6.490) 6.727 9.366 ( 0.873 0.504 -5.993) 6.077 9.392 ( -1.060 -0.612 -3.481) 3.689 9.528 ( -1.397 -0.807 -2.735) 3.175 9.609 ( -2.636 -1.522 -3.351) 4.527 9.812 ( -4.665 -2.694 -7.021) 8.849 9.959 ( -0.257 -0.148 2.385) 2.403 10.001 ( -0.751 -0.433 2.862) 2.991 10.611 ( 1.354 0.782 -5.517) 5.734 11.008 ( 0.739 0.426 12.604) 12.633 11.030 ( 1.492 0.861 -4.678) 4.985 11.205 ( -0.644 -0.372 -0.584) 0.946 11.270 ( 1.294 0.747 1.758) 2.307 11.393 ( 0.596 0.344 7.974) 8.004 11.538 ( 0.197 0.114 -0.820) 0.851 11.654 ( 0.450 0.260 -4.330) 4.361 11.808 ( -1.738 -1.003 6.357) 6.666 11.914 ( -0.426 -0.246 2.481) 2.529 12.032 ( 4.611 2.662 1.382) 5.501 12.122 ( 2.224 1.284 -3.297) 4.179 12.194 ( 1.248 0.720 -0.080) 1.443 12.427 ( 5.958 3.440 -2.965) 7.492 12.918 ( 7.665 4.425 -2.444) 9.182 12.980 ( 0.411 0.237 -3.683) 3.714 13.028 ( 6.900 3.984 2.135) 8.249 15.766 ( -0.506 -0.292 0.053) 0.586 15.853 ( -1.778 -1.026 -0.192) 2.062 16.257 ( -1.162 -0.671 -1.033) 1.694 16.704 ( 0.406 0.234 -4.339) 4.364 16.970 ( -6.117 -3.532 1.695) 7.264 17.002 ( 0.506 0.292 7.792) 7.814 17.312 ( 1.079 0.623 -3.513) 3.727 17.506 ( -1.912 -1.104 -5.430) 5.862 17.800 ( 3.408 1.967 12.528) 13.131 18.368 ( -6.984 -4.032 -5.746) 9.902 18.779 ( -7.706 -4.449 -9.851) 13.275 19.185 ( 0.961 0.555 7.777) 7.855 ======================= Grid point 114 (20/50) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -2.097 -1.211 0.561) 2.485 2.590 ( -13.062 -7.542 -2.843) 15.349 2.716 ( 2.775 1.602 -1.473) 3.527 2.792 ( 13.581 7.841 6.864) 17.118 2.894 ( -0.088 -0.051 -0.666) 0.673 2.999 ( 1.864 1.076 0.257) 2.168 3.030 ( 1.788 1.032 -5.205) 5.599 3.128 ( -1.311 -0.757 -4.452) 4.702 3.295 ( -3.966 -2.290 4.414) 6.360 3.366 ( -4.608 -2.661 2.530) 5.892 3.549 ( 3.822 2.207 -0.775) 4.481 3.570 ( 3.095 1.787 -1.594) 3.913 3.595 ( -3.602 -2.080 -3.178) 5.235 3.683 ( 1.668 0.963 9.464) 9.658 3.829 ( 0.445 0.257 -0.105) 0.524 3.869 ( 1.844 1.065 2.352) 3.172 3.901 ( -2.185 -1.261 0.872) 2.669 3.993 ( 0.278 0.161 -1.749) 1.778 4.020 ( -0.870 -0.502 0.367) 1.069 4.156 ( 0.593 0.342 -0.853) 1.094 4.164 ( 0.460 0.266 0.282) 0.601 4.338 ( 3.347 1.932 -2.652) 4.687 4.434 ( 0.234 0.135 0.515) 0.582 4.467 ( 4.148 2.395 -7.317) 8.746 4.484 ( 0.358 0.207 4.529) 4.548 4.515 ( -4.254 -2.456 -0.765) 4.971 4.634 ( -0.777 -0.449 -3.954) 4.054 4.686 ( 0.226 0.130 1.712) 1.732 4.689 ( -1.221 -0.705 -3.596) 3.863 4.809 ( -2.900 -1.674 4.060) 5.263 4.839 ( -0.076 -0.044 0.180) 0.200 4.873 ( -6.419 -3.706 5.701) 9.351 4.975 ( 0.561 0.324 -2.923) 2.994 4.981 ( -0.161 -0.093 -0.764) 0.787 5.177 ( 8.244 4.760 -0.312) 9.525 5.440 ( -2.376 -1.372 1.248) 3.014 5.977 ( 0.357 0.206 -1.049) 1.127 6.430 ( -0.213 -0.123 2.553) 2.565 6.444 ( 0.085 0.049 -0.010) 0.099 6.508 ( 0.596 0.344 0.470) 0.833 6.718 ( -0.172 -0.100 -2.121) 2.130 6.794 ( -0.859 -0.496 -0.376) 1.061 6.861 ( -0.007 -0.004 -1.280) 1.280 6.914 ( 0.403 0.233 0.239) 0.523 7.050 ( -0.471 -0.272 1.354) 1.459 7.726 ( 0.489 0.282 -0.469) 0.734 7.798 ( -0.006 -0.004 -0.325) 0.325 8.332 ( 0.163 0.094 0.922) 0.941 8.586 ( 1.121 0.647 1.505) 1.986 8.714 ( -1.724 -0.995 -0.444) 2.039 8.742 ( -2.083 -1.203 -4.730) 5.306 8.820 ( 1.826 1.055 -0.459) 2.158 9.000 ( 0.529 0.306 8.767) 8.788 9.058 ( 0.783 0.452 8.072) 8.123 9.358 ( -0.974 -0.562 -3.550) 3.723 9.414 ( 2.131 1.230 -7.606) 7.994 9.533 ( 1.632 0.942 -1.258) 2.266 9.574 ( -0.276 -0.159 -3.836) 3.849 9.727 ( -2.060 -1.189 -8.018) 8.364 9.948 ( -0.625 -0.361 2.374) 2.482 9.973 ( -1.489 -0.860 3.392) 3.803 10.654 ( 1.891 1.092 -9.201) 9.456 11.000 ( -1.828 -1.055 17.246) 17.375 11.062 ( 0.993 0.573 -5.090) 5.218 11.185 ( -0.957 -0.553 0.924) 1.441 11.304 ( 1.397 0.806 -0.029) 1.613 11.398 ( 0.064 0.037 6.868) 6.869 11.546 ( 0.598 0.345 -1.958) 2.076 11.680 ( 1.644 0.949 -7.592) 7.826 11.756 ( -2.597 -1.499 7.840) 8.394 11.882 ( -2.109 -1.217 5.413) 5.935 12.108 ( 1.531 0.884 -0.602) 1.868 12.159 ( 0.938 0.542 -2.974) 3.165 12.194 ( -0.879 -0.507 1.699) 1.979 12.519 ( 1.387 0.801 -2.523) 2.989 12.946 ( -3.093 -1.786 -4.807) 5.988 12.988 ( -1.223 -0.706 1.557) 2.102 13.175 ( 3.722 2.149 -1.496) 4.550 15.763 ( 0.121 0.070 0.257) 0.292 15.828 ( -0.138 -0.080 -0.328) 0.365 16.245 ( 0.172 0.099 -1.033) 1.052 16.711 ( 0.166 0.096 -4.586) 4.590 16.863 ( -2.151 -1.242 0.765) 2.599 17.005 ( -0.251 -0.145 8.047) 8.052 17.326 ( 0.091 0.052 -3.525) 3.526 17.482 ( -0.320 -0.185 -2.125) 2.156 17.855 ( 3.640 2.101 12.397) 13.090 18.336 ( 2.166 1.251 -2.613) 3.617 18.599 ( -6.660 -3.845 -14.368) 16.297 19.233 ( 2.732 1.577 7.236) 7.893 ======================= Grid point 116 (21/50) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -15.936 -9.201 0.904) 18.424 2.222 ( -17.179 -9.918 5.314) 20.536 2.635 ( -8.597 -4.963 -2.031) 10.132 2.861 ( -2.540 -1.467 -0.089) 2.935 2.898 ( -7.656 -4.420 -9.619) 13.064 2.970 ( -7.471 -4.313 1.390) 8.738 3.081 ( 5.918 3.417 -4.344) 8.097 3.157 ( 1.736 1.002 -0.058) 2.006 3.265 ( 1.514 0.874 -0.866) 1.952 3.290 ( -1.505 -0.869 3.843) 4.218 3.534 ( 0.371 0.214 1.148) 1.225 3.642 ( 1.208 0.697 9.568) 9.669 3.660 ( 3.201 1.848 -0.464) 3.725 3.686 ( -2.507 -1.447 7.756) 8.278 3.778 ( -6.160 -3.556 -5.256) 8.844 3.834 ( -0.309 -0.178 0.009) 0.357 3.917 ( 2.046 1.181 0.476) 2.409 4.019 ( 1.509 0.871 0.390) 1.785 4.060 ( 4.297 2.481 -1.293) 5.128 4.093 ( -2.791 -1.611 0.706) 3.299 4.212 ( -15.429 -8.908 -4.206) 18.305 4.240 ( -0.145 -0.083 0.915) 0.930 4.299 ( -10.333 -5.966 -2.637) 12.219 4.400 ( -2.085 -1.204 1.157) 2.671 4.440 ( -4.178 -2.412 3.287) 5.838 4.549 ( -1.540 -0.889 -1.174) 2.130 4.566 ( 0.194 0.112 -4.483) 4.488 4.596 ( -5.933 -3.425 -3.410) 7.652 4.603 ( -1.130 -0.653 -6.400) 6.531 4.750 ( -5.015 -2.896 0.749) 5.840 4.800 ( 0.531 0.307 4.848) 4.887 4.850 ( 0.958 0.553 0.242) 1.132 4.911 ( -5.539 -3.198 3.288) 7.192 4.983 ( 0.292 0.168 -0.717) 0.792 5.317 ( 4.377 2.527 4.650) 6.867 5.494 ( 5.636 3.254 -1.981) 6.803 6.033 ( 3.955 2.283 -0.973) 4.669 6.418 ( -1.565 -0.904 1.123) 2.128 6.439 ( -0.419 -0.242 0.046) 0.486 6.514 ( 0.373 0.216 1.797) 1.848 6.746 ( -3.413 -1.971 0.136) 3.944 6.747 ( 2.349 1.356 -2.288) 3.549 6.848 ( -1.495 -0.863 -1.482) 2.275 6.885 ( -1.500 -0.866 -0.134) 1.737 7.013 ( -2.391 -1.380 1.057) 2.956 7.782 ( -1.225 -0.707 -0.247) 1.436 7.813 ( 6.159 3.556 -1.183) 7.209 8.379 ( 3.642 2.103 3.189) 5.278 8.669 ( 4.828 2.788 1.008) 5.666 8.712 ( 0.067 0.039 -2.984) 2.985 8.761 ( 6.011 3.470 -2.200) 7.281 8.923 ( 5.962 3.442 -1.495) 7.045 9.033 ( 1.861 1.075 8.332) 8.605 9.097 ( 2.373 1.370 7.189) 7.694 9.336 ( -0.637 -0.368 -4.809) 4.865 9.468 ( 2.477 1.430 -7.030) 7.590 9.589 ( 2.118 1.223 -3.521) 4.287 9.595 ( 1.914 1.105 -3.829) 4.421 9.731 ( 2.844 1.642 1.189) 3.493 9.933 ( -0.508 -0.293 2.425) 2.495 9.951 ( 0.390 0.225 -2.850) 2.885 10.693 ( 1.367 0.789 -10.365) 10.485 10.913 ( -5.313 -3.067 17.931) 18.952 11.072 ( -0.186 -0.107 -5.740) 5.744 11.166 ( -0.562 -0.324 1.569) 1.698 11.330 ( 0.756 0.436 0.241) 0.905 11.412 ( 1.280 0.739 7.371) 7.518 11.566 ( 0.891 0.515 -3.197) 3.358 11.691 ( -2.683 -1.549 8.168) 8.736 11.721 ( 1.399 0.808 -5.616) 5.844 11.821 ( -2.827 -1.632 5.737) 6.601 12.083 ( -3.534 -2.041 -2.361) 4.715 12.165 ( -0.505 -0.292 -2.228) 2.303 12.169 ( -1.550 -0.895 1.924) 2.628 12.480 ( -4.645 -2.682 -2.119) 5.767 12.821 ( -7.607 -4.392 -3.626) 9.503 12.913 ( -3.893 -2.248 0.338) 4.508 13.174 ( -3.484 -2.012 -0.951) 4.134 15.770 ( 0.574 0.331 0.072) 0.667 15.849 ( 1.724 0.996 -0.224) 2.004 16.263 ( 1.295 0.748 -1.070) 1.839 16.711 ( -0.179 -0.104 -4.628) 4.633 16.884 ( 3.693 2.132 1.332) 4.467 16.991 ( -0.864 -0.499 7.935) 7.998 17.316 ( -0.944 -0.545 -3.367) 3.539 17.478 ( -0.169 -0.098 -1.907) 1.917 17.982 ( 2.900 1.674 14.200) 14.589 18.350 ( 1.338 0.773 -11.950) 12.049 18.585 ( 6.690 3.863 -4.925) 9.162 19.304 ( 3.115 1.799 4.275) 5.588 ======================= Grid point 117 (22/50) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -20.773 -11.993 2.570) 24.124 1.792 ( -18.633 -10.758 12.913) 25.093 2.368 ( -13.194 -7.618 -6.892) 16.722 2.614 ( -15.635 -9.027 -15.829) 24.011 2.680 ( -12.468 -7.198 7.602) 16.280 2.793 ( -5.338 -3.082 -2.663) 6.715 3.129 ( -4.862 -2.807 2.886) 6.313 3.134 ( -5.259 -3.036 -1.390) 6.230 3.281 ( 1.362 0.787 -0.328) 1.607 3.293 ( 0.157 0.091 -4.059) 4.063 3.336 ( -26.672 -15.399 13.180) 33.500 3.509 ( -8.793 -5.077 4.218) 10.994 3.536 ( -1.723 -0.995 5.407) 5.762 3.727 ( 1.631 0.942 -0.934) 2.102 3.733 ( -6.745 -3.894 -3.940) 8.728 3.805 ( -8.893 -5.135 -7.283) 12.589 3.806 ( -1.788 -1.032 0.702) 2.181 3.898 ( -10.561 -6.097 -5.786) 13.498 3.967 ( 1.903 1.099 -1.012) 2.419 4.106 ( 4.091 2.362 0.595) 4.761 4.146 ( 1.816 1.049 -0.999) 2.323 4.186 ( 4.204 2.427 1.295) 5.024 4.303 ( 0.651 0.376 -0.092) 0.757 4.318 ( -4.122 -2.380 0.985) 4.860 4.379 ( 0.190 0.110 1.105) 1.126 4.410 ( -7.361 -4.250 -5.560) 10.157 4.447 ( -5.289 -3.054 -1.427) 6.272 4.494 ( -4.652 -2.686 -0.702) 5.417 4.645 ( -3.242 -1.872 4.746) 6.045 4.687 ( 2.780 1.605 -5.362) 6.249 4.792 ( 0.584 0.337 -1.341) 1.501 4.860 ( 2.429 1.403 8.936) 9.366 4.881 ( 1.490 0.860 0.231) 1.736 4.988 ( -0.089 -0.051 -0.586) 0.595 5.413 ( 3.349 1.933 9.035) 9.827 5.630 ( 5.224 3.016 -5.566) 8.208 6.144 ( 4.884 2.820 -0.572) 5.669 6.341 ( -4.527 -2.614 -0.964) 5.316 6.426 ( -0.709 -0.409 0.262) 0.859 6.519 ( -1.118 -0.646 3.581) 3.807 6.657 ( -2.905 -1.677 0.028) 3.355 6.757 ( -4.705 -2.716 -0.953) 5.516 6.799 ( 1.032 0.596 -1.792) 2.152 6.904 ( 1.992 1.150 -0.866) 2.458 6.962 ( -1.077 -0.622 -0.438) 1.318 7.744 ( -1.848 -1.067 -0.101) 2.137 7.971 ( 5.923 3.419 -3.363) 7.621 8.492 ( 5.451 3.147 7.219) 9.578 8.742 ( 2.200 1.270 -2.279) 3.413 8.800 ( 6.098 3.520 -0.348) 7.049 8.942 ( 6.990 4.036 -5.574) 9.809 9.065 ( 4.867 2.810 1.819) 5.907 9.070 ( 1.344 0.776 6.956) 7.127 9.169 ( 3.903 2.253 1.987) 4.926 9.349 ( 2.008 1.159 -5.437) 5.910 9.531 ( 2.191 1.265 0.207) 2.539 9.633 ( 3.713 2.144 -9.154) 10.108 9.657 ( 3.057 1.765 -2.859) 4.542 9.825 ( 3.273 1.889 7.013) 7.967 9.932 ( 0.606 0.350 2.526) 2.621 10.035 ( 6.957 4.016 -7.275) 10.837 10.699 ( -2.862 -1.653 2.763) 4.308 10.810 ( 0.210 0.121 5.122) 5.128 11.056 ( -0.950 -0.548 -6.012) 6.111 11.165 ( 0.556 0.321 1.923) 2.028 11.339 ( -0.086 -0.050 0.990) 0.995 11.456 ( 2.245 1.296 8.715) 9.093 11.580 ( 0.089 0.051 -2.816) 2.818 11.638 ( -1.505 -0.869 6.202) 6.441 11.713 ( -2.569 -1.483 7.509) 8.074 11.768 ( -1.671 -0.965 -3.057) 3.615 11.971 ( -5.114 -2.952 -4.815) 7.619 12.077 ( -6.688 -3.861 0.498) 7.739 12.134 ( -2.134 -1.232 -1.393) 2.831 12.327 ( -7.225 -4.171 -0.611) 8.365 12.611 ( -9.028 -5.212 -5.061) 11.588 12.825 ( -3.425 -1.978 2.608) 4.738 13.048 ( -6.120 -3.534 -1.534) 7.232 15.792 ( 1.222 0.706 -0.476) 1.490 15.899 ( 2.264 1.307 0.252) 2.627 16.304 ( 2.078 1.200 -1.140) 2.657 16.703 ( -0.421 -0.243 -4.397) 4.424 16.968 ( -1.045 -0.604 7.444) 7.541 17.010 ( 5.969 3.446 2.850) 7.458 17.283 ( -1.718 -0.992 -3.102) 3.682 17.452 ( -2.559 -1.477 -1.164) 3.176 17.830 ( -12.555 -7.249 0.866) 14.523 18.600 ( 16.414 9.477 -1.934) 19.052 18.840 ( 13.892 8.021 -1.547) 16.116 19.377 ( 2.899 1.674 1.048) 3.508 ======================= Grid point 118 (23/50) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -22.430 -12.950 6.163) 26.623 1.351 ( -18.005 -10.395 22.215) 30.426 2.026 ( -15.079 -8.706 -14.180) 22.455 2.158 ( -22.022 -12.714 -15.033) 29.540 2.397 ( -10.334 -5.966 11.630) 16.662 2.485 ( -39.550 -22.834 16.785) 48.655 2.661 ( -5.677 -3.277 -1.913) 6.828 2.840 ( -16.991 -9.810 5.309) 20.325 2.927 ( -12.886 -7.440 -2.140) 15.032 3.256 ( -11.890 -6.865 -12.332) 18.455 3.273 ( -1.806 -1.043 -3.574) 4.138 3.393 ( 5.068 2.926 1.215) 5.977 3.454 ( -4.027 -2.325 5.568) 7.254 3.540 ( -3.102 -1.791 -11.495) 12.040 3.665 ( -4.444 -2.566 -7.693) 9.247 3.697 ( -3.162 -1.826 0.975) 3.780 3.752 ( -4.023 -2.323 -4.604) 6.540 3.765 ( -4.167 -2.406 0.435) 4.831 3.984 ( -0.633 -0.365 0.976) 1.219 4.123 ( -2.050 -1.184 -1.154) 2.634 4.188 ( -0.066 -0.038 0.932) 0.935 4.209 ( -1.134 -0.655 0.037) 1.310 4.301 ( 0.661 0.381 2.016) 2.156 4.335 ( 0.348 0.201 0.067) 0.407 4.355 ( 2.702 1.560 1.721) 3.563 4.368 ( 2.230 1.287 -0.326) 2.595 4.404 ( 0.428 0.247 -1.563) 1.639 4.440 ( 2.277 1.315 -0.164) 2.634 4.619 ( 0.155 0.089 8.326) 8.328 4.663 ( -3.286 -1.897 0.641) 3.848 4.820 ( 1.565 0.903 -2.477) 3.066 4.911 ( 0.877 0.506 0.079) 1.015 4.973 ( -1.157 -0.668 -0.324) 1.374 5.023 ( 9.199 5.311 5.336) 11.887 5.449 ( -0.556 -0.321 9.868) 9.889 5.735 ( 3.151 1.819 -9.947) 10.591 6.220 ( -3.850 -2.223 -0.594) 4.485 6.257 ( 3.154 1.821 -1.518) 3.946 6.405 ( -1.055 -0.609 0.495) 1.315 6.443 ( -4.106 -2.370 4.089) 6.261 6.593 ( -3.821 -2.206 -1.579) 4.687 6.696 ( 0.305 0.176 -0.073) 0.360 6.776 ( -2.190 -1.265 -0.922) 2.692 6.956 ( 2.176 1.257 -0.329) 2.535 6.981 ( 1.961 1.132 -1.833) 2.913 7.700 ( -1.775 -1.025 -0.027) 2.050 8.041 ( -1.145 -0.661 -7.868) 7.978 8.622 ( 5.316 3.069 9.377) 11.208 8.806 ( 3.007 1.736 -1.440) 3.759 8.939 ( 4.817 2.781 -1.281) 5.708 9.023 ( 1.630 0.941 -1.759) 2.577 9.125 ( 1.928 1.113 -1.829) 2.881 9.127 ( 0.674 0.389 4.808) 4.870 9.279 ( 4.578 2.643 -3.964) 6.607 9.387 ( 0.282 0.163 -4.658) 4.669 9.608 ( 5.347 3.087 4.667) 7.740 9.729 ( 2.818 1.627 -0.356) 3.273 9.786 ( 6.144 3.547 -1.638) 7.281 9.897 ( 4.573 2.640 -0.049) 5.281 9.967 ( 2.255 1.302 2.281) 3.462 10.209 ( 6.093 3.518 -6.940) 9.883 10.645 ( 2.761 1.594 20.744) 20.988 10.939 ( 8.817 5.091 -7.481) 12.634 11.036 ( -0.657 -0.379 -5.823) 5.872 11.189 ( 1.341 0.774 2.099) 2.609 11.327 ( -0.807 -0.466 0.992) 1.361 11.512 ( 2.287 1.320 8.450) 8.853 11.572 ( -0.381 -0.220 -0.307) 0.536 11.621 ( -0.117 -0.068 2.623) 2.627 11.635 ( -3.377 -1.950 9.501) 10.270 11.669 ( -6.732 -3.887 -1.054) 7.845 11.829 ( -8.361 -4.827 -3.461) 10.256 11.940 ( -1.717 -0.991 -2.291) 3.029 12.065 ( -3.538 -2.042 -0.831) 4.168 12.140 ( -8.859 -5.115 0.268) 10.233 12.429 ( -6.134 -3.542 -5.992) 9.278 12.759 ( -1.787 -1.032 4.018) 4.517 12.921 ( -3.999 -2.309 -2.444) 5.224 15.824 ( 1.323 0.764 -1.244) 1.970 15.949 ( 1.901 1.097 1.104) 2.457 16.358 ( 2.346 1.355 -1.271) 2.993 16.693 ( -0.433 -0.250 -3.947) 3.978 16.945 ( -0.778 -0.449 6.687) 6.747 17.101 ( -0.510 -0.294 4.878) 4.914 17.238 ( -1.922 -1.110 -2.799) 3.572 17.357 ( -4.766 -2.752 -2.174) 5.917 17.496 ( -13.904 -8.028 -2.794) 16.297 19.007 ( 16.408 9.473 -0.519) 18.953 19.206 ( 15.683 9.055 -1.047) 18.139 19.445 ( 3.147 1.817 -0.824) 3.726 ======================= Grid point 119 (24/50) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -18.902 -10.913 15.121) 26.553 0.945 ( -16.925 -9.772 28.619) 34.655 1.530 ( -34.999 -20.207 33.384) 52.419 1.665 ( -18.739 -10.819 -19.462) 29.102 1.686 ( -12.537 -7.238 -20.020) 24.706 2.213 ( -4.742 -2.738 13.838) 14.882 2.420 ( -16.277 -9.398 10.453) 21.507 2.537 ( -4.255 -2.457 -2.260) 5.409 2.610 ( -10.919 -6.304 -2.553) 12.864 3.048 ( -5.120 -2.956 -33.187) 33.710 3.212 ( -2.744 -1.584 1.824) 3.656 3.394 ( -0.866 -0.500 0.535) 1.135 3.458 ( -3.254 -1.879 -0.276) 3.768 3.529 ( 2.452 1.416 -3.815) 4.751 3.607 ( -4.598 -2.655 -4.998) 7.292 3.645 ( -2.850 -1.645 -1.894) 3.797 3.646 ( -0.424 -0.245 -2.580) 2.626 3.683 ( 3.289 1.899 0.561) 3.839 3.939 ( -2.565 -1.481 4.624) 5.491 4.104 ( 0.277 0.160 -1.812) 1.840 4.165 ( -0.269 -0.155 2.610) 2.628 4.193 ( -1.307 -0.755 1.883) 2.413 4.304 ( 0.302 0.174 0.157) 0.382 4.331 ( 1.607 0.928 1.845) 2.617 4.439 ( 0.645 0.372 -1.493) 1.668 4.450 ( 1.053 0.608 0.059) 1.217 4.454 ( 3.388 1.956 0.210) 3.917 4.490 ( 1.738 1.004 -0.723) 2.133 4.548 ( -3.223 -1.861 3.402) 5.042 4.685 ( 4.680 2.702 10.025) 11.389 4.870 ( 2.724 1.573 -1.703) 3.576 4.920 ( -0.088 -0.051 -0.132) 0.166 4.938 ( -1.505 -0.869 0.102) 1.741 5.221 ( 6.177 3.566 7.366) 10.253 5.401 ( -3.126 -1.805 4.590) 5.839 5.718 ( -6.961 -4.019 -16.993) 18.798 6.132 ( -2.700 -1.559 -2.299) 3.874 6.329 ( 2.080 1.201 0.210) 2.411 6.362 ( -2.326 -1.343 4.185) 4.973 6.378 ( -1.132 -0.653 0.465) 1.387 6.509 ( -2.666 -1.539 -1.955) 3.647 6.716 ( 0.688 0.397 -0.733) 1.081 6.729 ( -1.405 -0.811 -1.454) 2.179 7.000 ( 1.477 0.853 0.387) 1.749 7.020 ( 0.930 0.537 -0.462) 1.169 7.665 ( -1.086 -0.627 -0.059) 1.256 7.884 ( -11.792 -6.808 -11.629) 17.906 8.750 ( 5.621 3.245 4.968) 8.174 8.878 ( 2.949 1.702 -0.309) 3.419 8.999 ( 1.196 0.691 -3.993) 4.226 9.076 ( -2.042 -1.179 -2.107) 3.162 9.113 ( -1.626 -0.939 2.657) 3.254 9.134 ( 2.853 1.647 2.715) 4.269 9.364 ( 2.373 1.370 -4.661) 5.407 9.388 ( 0.157 0.091 -4.205) 4.209 9.734 ( 3.752 2.166 1.383) 4.548 9.785 ( 1.867 1.078 2.140) 3.037 9.852 ( -0.022 -0.012 5.797) 5.798 10.009 ( 2.966 1.712 -0.243) 3.433 10.025 ( 2.206 1.273 1.856) 3.151 10.456 ( 20.939 12.089 9.823) 26.098 10.906 ( 17.007 9.819 13.368) 23.757 11.027 ( -0.078 -0.045 -5.573) 5.573 11.146 ( 6.685 3.860 -3.435) 8.450 11.216 ( 0.533 0.308 2.247) 2.329 11.308 ( -0.604 -0.349 -0.074) 0.701 11.458 ( -7.683 -4.436 1.347) 8.973 11.556 ( -1.587 -0.916 3.880) 4.291 11.566 ( -0.390 -0.225 -1.771) 1.827 11.621 ( 3.204 1.850 4.739) 6.011 11.636 ( 1.750 1.010 4.627) 5.049 11.665 ( -3.397 -1.961 3.549) 5.290 11.894 ( -7.899 -4.561 -1.081) 9.185 11.958 ( -1.112 -0.642 2.222) 2.566 11.974 ( -3.875 -2.237 -1.031) 4.592 12.286 ( -7.168 -4.138 -9.736) 12.778 12.752 ( 1.139 0.657 1.627) 2.092 12.887 ( 1.992 1.150 2.837) 3.653 15.851 ( 0.915 0.529 -1.855) 2.135 15.985 ( 1.074 0.620 1.907) 2.274 16.410 ( 1.889 1.091 -1.251) 2.515 16.684 ( -0.265 -0.153 -3.478) 3.492 16.932 ( -0.309 -0.178 5.956) 5.967 16.952 ( -9.815 -5.667 0.826) 11.364 17.122 ( -13.100 -7.563 -3.379) 15.499 17.198 ( -1.335 -0.771 -2.547) 2.977 17.315 ( -5.468 -3.157 -6.126) 8.797 19.305 ( 7.232 4.175 -2.614) 8.750 19.527 ( 10.639 6.142 1.326) 12.356 19.565 ( 7.268 4.196 0.335) 8.399 ======================= Grid point 121 (25/50) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 17.268 16.844 17.677) 29.906 1.300 ( 17.632 19.472 16.510) 31.026 1.775 ( 0.388 20.326 -15.504) 25.567 2.107 ( 15.342 30.666 2.785) 34.402 2.138 ( 14.936 26.140 -3.612) 30.322 2.411 ( 11.151 10.350 11.835) 19.275 2.626 ( 4.528 9.288 -0.419) 10.341 2.688 ( 5.777 17.576 5.232) 19.227 2.838 ( 8.716 13.410 0.442) 16.000 3.196 ( 7.417 9.918 -18.671) 22.405 3.259 ( 1.435 3.287 -1.998) 4.106 3.430 ( -3.059 -5.482 1.715) 6.508 3.454 ( 3.557 1.461 1.711) 4.209 3.527 ( 2.874 1.525 -2.788) 4.285 3.608 ( -0.476 3.820 -10.914) 11.573 3.696 ( 2.742 6.399 -2.559) 7.417 3.704 ( -0.040 3.890 0.394) 3.910 3.751 ( 4.266 5.707 -3.393) 7.892 3.985 ( 0.852 2.476 3.350) 4.252 4.081 ( -0.547 -1.791 -2.182) 2.875 4.179 ( 0.315 0.366 1.748) 1.814 4.212 ( 0.068 0.134 -0.021) 0.151 4.302 ( 0.233 -2.869 1.358) 3.182 4.330 ( 0.480 1.525 0.962) 1.866 4.385 ( -1.583 0.008 -1.084) 1.919 4.407 ( -0.271 -3.106 -0.387) 3.142 4.418 ( -0.833 -3.730 0.177) 3.826 4.462 ( -1.600 -1.579 0.325) 2.271 4.593 ( -0.171 3.016 6.803) 7.443 4.654 ( 0.535 -0.967 4.310) 4.449 4.815 ( -1.522 -2.791 -3.027) 4.390 4.935 ( 0.801 1.053 0.413) 1.386 4.963 ( 0.686 0.525 0.485) 0.991 5.096 ( -3.666 -7.821 4.894) 9.928 5.403 ( -3.690 2.712 7.191) 8.525 5.759 ( 0.490 -4.399 -9.671) 10.636 6.190 ( 1.945 4.012 -1.524) 4.712 6.296 ( -1.018 -2.599 -0.307) 2.808 6.374 ( -0.107 0.621 0.488) 0.797 6.427 ( 2.307 3.717 3.783) 5.784 6.571 ( 2.514 4.407 -1.775) 5.375 6.677 ( -1.915 -0.984 -0.333) 2.178 6.776 ( 1.744 1.831 -0.855) 2.669 6.989 ( 0.687 -1.657 -0.408) 1.839 6.994 ( -1.064 -2.021 -1.360) 2.658 7.683 ( 0.714 1.229 -0.124) 1.427 8.036 ( 3.017 5.103 -9.682) 11.352 8.606 ( -6.295 -4.888 9.015) 12.033 8.900 ( 3.206 -4.421 -2.104) 5.852 8.941 ( -2.919 -2.509 -1.240) 4.044 9.013 ( -3.815 -3.455 0.723) 5.198 9.095 ( -2.680 -0.640 -0.273) 2.769 9.199 ( 5.019 0.797 -0.018) 5.082 9.304 ( -2.877 -4.049 -3.346) 5.988 9.385 ( -0.332 -0.463 -5.232) 5.263 9.613 ( -6.874 -6.735 6.276) 11.489 9.753 ( -1.751 -3.496 -0.661) 3.966 9.808 ( -0.660 -1.669 1.701) 2.473 9.942 ( -2.278 -4.260 -2.164) 5.294 10.032 ( 1.612 0.200 2.926) 3.346 10.180 ( -8.619 -7.924 -1.861) 11.856 10.688 ( -3.233 -11.172 16.649) 20.309 10.968 ( -4.786 -8.054 -5.353) 10.791 11.085 ( 3.009 -2.149 -4.189) 5.587 11.249 ( 2.040 -0.120 1.173) 2.356 11.311 ( -1.776 2.019 -1.561) 3.109 11.486 ( -5.621 -0.454 9.215) 10.804 11.533 ( 0.557 2.031 -0.376) 2.139 11.583 ( -0.775 6.449 1.538) 6.675 11.669 ( 5.097 1.557 6.176) 8.158 11.733 ( 9.204 -3.636 6.064) 11.606 11.754 ( 3.262 7.258 -1.565) 8.110 11.897 ( -0.957 2.674 -2.370) 3.699 11.950 ( 0.601 4.577 -1.404) 4.825 12.128 ( 1.064 11.762 -4.156) 12.520 12.396 ( 5.291 4.020 -4.193) 7.857 12.735 ( -0.636 1.103 3.517) 3.740 12.895 ( 1.043 1.935 -1.744) 2.806 15.831 ( -0.832 -1.264 -1.422) 2.076 15.961 ( -0.949 -1.757 1.328) 2.399 16.372 ( -1.403 -2.352 -1.294) 3.029 16.708 ( 0.630 1.946 -3.098) 3.712 16.967 ( 1.109 3.211 6.093) 6.976 17.066 ( 4.161 -1.509 4.472) 6.292 17.287 ( 0.989 6.988 -3.455) 7.858 17.322 ( 9.274 7.433 -2.894) 12.232 17.391 ( 2.682 5.868 -2.990) 7.111 19.135 ( -5.773 -14.704 -2.065) 15.931 19.313 ( -7.983 -11.561 1.453) 14.124 19.392 ( -8.478 -6.416 -1.571) 10.748 ======================= Grid point 122 (26/50) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 17.840 12.433 17.011) 27.608 1.858 ( 17.929 21.406 9.506) 29.496 2.062 ( 7.490 19.897 -11.968) 24.397 2.506 ( 10.031 10.186 -22.673) 26.804 2.655 ( 10.093 11.400 6.462) 16.541 2.764 ( 11.561 15.323 3.858) 19.579 2.890 ( 8.668 19.929 2.261) 21.850 3.018 ( 12.757 13.048 5.294) 19.001 3.151 ( 11.782 10.116 5.899) 16.612 3.287 ( 0.033 -2.196 -0.358) 2.225 3.347 ( -0.950 2.691 -1.827) 3.388 3.373 ( 0.606 0.980 -0.286) 1.188 3.557 ( 5.347 3.148 2.037) 6.531 3.628 ( 4.726 1.900 -0.181) 5.097 3.736 ( 5.402 7.895 -7.284) 12.023 3.786 ( 4.493 7.060 -3.951) 9.254 3.790 ( -0.215 5.595 -2.305) 6.055 3.898 ( 5.368 5.105 -3.923) 8.383 3.972 ( -1.539 1.769 -0.227) 2.356 4.086 ( 3.032 -4.083 -0.723) 5.137 4.151 ( -1.246 -1.608 0.592) 2.119 4.216 ( -1.237 -4.541 -0.853) 4.783 4.268 ( 1.299 0.946 1.190) 2.000 4.317 ( 0.711 -1.227 -1.914) 2.382 4.332 ( -1.015 -3.357 1.088) 3.671 4.380 ( -0.914 0.333 0.445) 1.070 4.437 ( 0.639 2.374 -3.066) 3.930 4.503 ( 3.983 7.303 1.090) 8.390 4.621 ( 0.897 2.801 5.224) 5.995 4.643 ( -1.128 -0.368 1.769) 2.130 4.785 ( 1.733 -3.460 -3.171) 5.003 4.947 ( -1.167 -2.478 3.343) 4.322 4.970 ( 1.330 0.046 1.090) 1.720 4.987 ( -1.925 -1.475 0.004) 2.425 5.315 ( -8.292 0.967 6.267) 10.439 5.675 ( -0.298 -10.229 -3.212) 10.726 6.192 ( -4.141 -1.635 0.454) 4.475 6.315 ( 3.540 3.610 -2.101) 5.475 6.386 ( 1.518 -1.069 -0.080) 1.858 6.501 ( 0.593 3.142 3.658) 4.858 6.649 ( 1.198 -1.289 0.364) 1.797 6.679 ( 3.986 4.574 -1.283) 6.201 6.814 ( -0.022 1.883 -0.672) 1.999 6.940 ( -2.128 -2.540 -1.293) 3.556 6.995 ( 1.396 -0.736 -0.870) 1.802 7.718 ( 1.809 1.188 -0.165) 2.171 8.053 ( -3.996 -0.144 -5.752) 7.005 8.462 ( -4.231 -4.113 9.406) 11.104 8.838 ( -3.400 -3.446 -1.428) 5.047 8.868 ( -4.444 -4.502 -3.607) 7.282 8.919 ( -0.824 -3.947 -0.690) 4.091 9.024 ( -3.295 -1.597 3.271) 4.910 9.164 ( -5.681 -6.200 1.022) 8.470 9.289 ( 3.896 -0.810 -2.511) 4.706 9.337 ( -5.872 0.290 -0.419) 5.894 9.453 ( -3.675 -3.355 -0.675) 5.022 9.645 ( -4.238 -5.529 -5.105) 8.637 9.773 ( -3.360 -0.339 -0.338) 3.394 9.866 ( -1.971 -3.155 -1.754) 4.113 9.994 ( 0.378 -6.523 -3.786) 7.551 10.078 ( -3.188 4.536 2.962) 6.285 10.574 ( -0.059 -7.231 11.755) 13.801 10.828 ( 0.885 -10.181 -2.707) 10.572 11.107 ( -0.170 1.873 -4.629) 4.996 11.255 ( -4.187 1.675 -0.725) 4.568 11.302 ( 0.010 4.650 -0.935) 4.743 11.410 ( -3.354 2.026 11.718) 12.356 11.558 ( 0.122 2.127 0.345) 2.159 11.666 ( 1.848 4.686 3.782) 6.299 11.741 ( 3.157 -0.059 2.468) 4.007 11.851 ( 6.463 -1.411 4.332) 7.908 11.873 ( 2.922 2.434 -1.193) 3.986 11.980 ( 4.425 3.996 -4.288) 7.344 12.079 ( 7.534 5.601 2.024) 9.604 12.224 ( -1.233 8.882 -7.616) 11.765 12.573 ( 9.117 4.525 -3.100) 10.640 12.774 ( 3.467 2.143 5.200) 6.606 12.944 ( 1.387 2.279 -3.243) 4.199 15.800 ( -1.113 -1.182 -0.715) 1.774 15.918 ( -1.553 -2.106 0.523) 2.668 16.318 ( -1.893 -2.139 -1.149) 3.079 16.735 ( -1.056 4.035 -2.968) 5.119 17.004 ( -0.532 2.996 6.661) 7.323 17.113 ( 2.490 -2.830 5.483) 6.653 17.322 ( -0.816 3.853 -4.766) 6.182 17.507 ( 4.830 1.423 -5.939) 7.786 17.547 ( 5.795 6.847 2.176) 9.230 18.806 ( -12.038 -15.912 -1.623) 20.019 19.060 ( -8.303 -7.976 2.805) 11.850 19.198 ( -4.617 -7.070 -2.406) 8.780 ======================= Grid point 123 (27/50) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 17.881 10.288 11.223) 23.485 2.336 ( 10.463 20.881 5.654) 24.030 2.429 ( 11.300 17.867 -5.376) 21.813 2.715 ( 4.869 5.550 -20.321) 21.621 2.856 ( 2.110 9.773 2.014) 10.199 3.032 ( 2.785 9.494 -0.675) 9.917 3.087 ( -2.026 -0.205 3.770) 4.285 3.170 ( -0.569 0.476 -1.720) 1.873 3.333 ( 4.540 -1.960 4.035) 6.382 3.372 ( 4.796 3.562 -1.097) 6.074 3.390 ( 5.003 4.119 -1.537) 6.660 3.530 ( 6.453 5.222 5.698) 10.069 3.608 ( -4.916 6.500 6.349) 10.331 3.728 ( 2.696 0.190 -1.743) 3.215 3.793 ( 0.242 1.972 2.115) 2.901 3.830 ( -2.713 -6.013 0.908) 6.659 3.920 ( 8.485 10.871 1.718) 13.897 3.929 ( 2.166 4.797 -2.334) 5.758 4.049 ( -0.223 -3.348 -1.443) 3.653 4.081 ( -1.949 -0.211 0.874) 2.147 4.121 ( -1.819 0.643 0.136) 1.934 4.223 ( 4.072 -0.741 -1.302) 4.338 4.321 ( 2.906 0.064 -0.332) 2.926 4.383 ( 5.876 3.807 1.378) 7.136 4.389 ( 4.559 4.792 -7.870) 10.280 4.441 ( 5.184 4.830 -3.663) 7.977 4.485 ( 4.247 0.155 -2.846) 5.114 4.604 ( -0.522 1.652 -2.102) 2.724 4.640 ( 1.954 5.605 0.084) 5.937 4.722 ( 5.979 0.897 2.326) 6.477 4.813 ( 4.325 -0.754 2.300) 4.956 4.890 ( -0.198 -3.495 0.441) 3.528 4.963 ( 0.510 -1.489 1.767) 2.366 4.990 ( -1.024 2.040 0.810) 2.422 5.152 ( -8.402 -1.377 3.898) 9.364 5.551 ( -1.178 -11.547 -0.465) 11.616 6.089 ( -5.090 -0.910 -0.414) 5.187 6.401 ( 1.975 -1.899 -0.336) 2.761 6.417 ( 3.062 3.020 -1.402) 4.524 6.497 ( -2.130 1.107 3.299) 4.080 6.696 ( 4.285 -1.874 -0.072) 4.678 6.781 ( 1.768 1.763 0.421) 2.532 6.821 ( 0.469 1.796 -1.787) 2.576 6.874 ( -1.792 -2.580 -1.065) 3.317 7.024 ( 1.581 0.783 0.627) 1.873 7.766 ( 1.397 1.947 -0.292) 2.414 7.929 ( -8.097 0.418 -2.770) 8.568 8.370 ( -1.806 -4.005 5.393) 6.956 8.703 ( -5.736 -4.158 -0.505) 7.103 8.775 ( -1.789 -2.419 -2.588) 3.968 8.866 ( -2.944 -1.151 -4.239) 5.287 8.942 ( -4.117 -2.088 2.884) 5.443 9.003 ( -3.425 -5.914 6.426) 9.380 9.215 ( -8.251 2.853 4.551) 9.845 9.337 ( 2.622 -0.709 -4.776) 5.494 9.380 ( -1.196 -3.586 -3.114) 4.897 9.538 ( -2.130 -3.257 -3.813) 5.448 9.692 ( -5.307 1.518 -2.503) 6.061 9.802 ( -0.997 -4.951 -2.844) 5.796 9.957 ( 0.209 -4.080 -4.702) 6.229 10.064 ( -3.579 4.948 4.996) 7.890 10.528 ( 3.238 -6.543 -0.413) 7.312 10.795 ( 6.517 -10.639 5.973) 13.833 11.125 ( -1.383 4.473 -5.030) 6.872 11.221 ( -0.312 0.193 0.919) 0.989 11.341 ( -4.442 7.737 5.367) 10.411 11.403 ( 1.384 1.379 3.234) 3.778 11.581 ( -1.280 4.235 0.767) 4.490 11.700 ( -2.739 4.715 0.968) 5.538 11.793 ( 2.180 -1.491 5.167) 5.803 11.907 ( 1.714 -0.188 -0.904) 1.947 11.963 ( 5.212 0.296 4.383) 6.816 12.090 ( 2.269 4.586 -3.923) 6.448 12.219 ( 0.820 4.448 -3.632) 5.801 12.326 ( 6.987 2.032 -1.574) 7.445 12.796 ( 9.644 4.578 -5.211) 11.879 12.892 ( 8.191 -0.576 6.681) 10.586 12.977 ( 0.436 0.434 -4.486) 4.528 15.772 ( -0.738 -0.773 -0.122) 1.075 15.867 ( -1.577 -2.058 -0.047) 2.593 16.268 ( -1.378 -1.579 -1.020) 2.331 16.754 ( -1.781 4.744 -2.704) 5.744 17.012 ( -0.902 -0.372 8.572) 8.628 17.078 ( -5.156 3.352 1.395) 6.306 17.370 ( -1.325 7.888 -4.510) 9.182 17.537 ( -1.054 0.139 -7.019) 7.099 17.705 ( 7.205 0.346 8.592) 11.218 18.449 ( -10.078 -11.276 -4.892) 15.895 18.844 ( -7.666 -7.249 -3.349) 11.070 19.100 ( 2.788 -8.512 4.657) 10.095 ======================= Grid point 124 (28/50) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 9.065 7.990 5.499) 13.276 2.647 ( 5.076 7.639 -0.404) 9.181 2.755 ( -3.539 6.263 -7.963) 10.731 2.780 ( 3.751 14.975 1.961) 15.561 2.944 ( -1.159 7.071 -0.050) 7.166 2.984 ( -1.130 -0.400 -1.392) 1.838 3.110 ( -3.863 7.089 -0.931) 8.126 3.143 ( -2.177 -0.557 -2.244) 3.175 3.313 ( -1.843 -6.009 4.903) 7.971 3.398 ( -1.769 -1.337 -0.247) 2.231 3.512 ( 2.416 2.161 -4.509) 5.553 3.580 ( -1.499 4.725 1.325) 5.131 3.657 ( 3.614 2.920 8.663) 9.830 3.675 ( -4.766 -1.551 -1.687) 5.289 3.770 ( 2.656 -3.726 3.997) 6.076 3.832 ( 0.668 1.020 1.439) 1.886 3.926 ( -0.520 -0.026 -2.265) 2.324 4.052 ( -1.659 0.320 -0.671) 1.818 4.080 ( -3.683 3.898 -0.981) 5.451 4.106 ( 3.497 3.632 -0.303) 5.051 4.182 ( -1.190 -2.086 -0.776) 2.524 4.257 ( 8.406 4.760 0.296) 9.665 4.373 ( 2.144 -1.637 -3.524) 4.438 4.446 ( 3.434 1.169 3.050) 4.739 4.496 ( 0.044 4.278 -2.047) 4.743 4.560 ( 2.170 0.036 -2.687) 3.454 4.605 ( 2.899 1.358 -4.121) 5.218 4.624 ( 2.078 0.665 1.295) 2.537 4.717 ( -0.012 1.886 -2.184) 2.886 4.744 ( 2.722 -4.669 3.405) 6.388 4.867 ( -0.781 -1.339 -1.418) 2.101 4.913 ( -0.679 -3.967 8.465) 9.373 4.978 ( -1.886 2.966 -3.432) 4.913 5.022 ( 10.699 0.292 0.903) 10.742 5.043 ( -2.986 1.625 -1.287) 3.635 5.404 ( -1.040 -10.817 1.127) 10.925 6.015 ( -3.112 1.700 -0.997) 3.684 6.415 ( 1.846 -2.136 -0.300) 2.839 6.450 ( -1.251 1.323 1.592) 2.418 6.504 ( 1.017 1.467 0.646) 1.899 6.714 ( 0.062 -1.676 -1.540) 2.277 6.794 ( -0.022 -0.690 0.307) 0.756 6.820 ( 1.651 -3.555 -1.008) 4.047 6.883 ( 2.184 -0.466 -0.084) 2.235 7.052 ( 0.412 0.559 1.355) 1.522 7.779 ( -3.035 2.937 -0.706) 4.282 7.845 ( -2.923 3.956 -0.939) 5.007 8.314 ( 0.090 -3.229 1.463) 3.546 8.603 ( -2.521 0.071 0.386) 2.552 8.720 ( -1.759 -3.045 -0.246) 3.525 8.802 ( -3.604 2.045 -2.940) 5.081 8.856 ( -3.096 1.061 -0.175) 3.277 8.954 ( 2.101 -2.678 7.754) 8.468 9.123 ( -5.240 2.887 6.712) 8.991 9.333 ( 0.095 -3.864 -3.292) 5.077 9.378 ( 2.542 0.225 -6.804) 7.267 9.506 ( 1.160 -1.172 -0.899) 1.878 9.636 ( -3.499 3.189 -3.172) 5.699 9.731 ( -1.588 -3.478 -7.057) 8.027 9.917 ( 0.317 -4.037 -2.964) 5.019 10.046 ( -3.688 3.754 6.484) 8.351 10.548 ( 5.837 -6.215 -6.916) 10.979 10.806 ( 7.160 -12.047 10.389) 17.445 11.148 ( -2.137 5.884 -5.349) 8.234 11.234 ( 2.375 -2.142 2.938) 4.343 11.316 ( -5.523 6.354 6.586) 10.689 11.459 ( 0.267 4.554 0.762) 4.625 11.599 ( -2.149 5.100 -1.120) 5.647 11.695 ( -2.507 4.239 -2.116) 5.360 11.782 ( -1.412 -1.091 6.749) 6.981 11.906 ( -1.229 -1.038 4.609) 4.882 12.054 ( 4.339 0.242 0.789) 4.416 12.146 ( 0.019 2.128 -3.035) 3.707 12.241 ( -1.480 1.966 -3.893) 4.605 12.464 ( 6.086 0.670 -0.414) 6.137 12.921 ( 3.175 -5.099 3.078) 6.749 12.966 ( -0.425 -1.252 -6.690) 6.819 13.056 ( 9.415 -0.916 -0.890) 9.501 15.761 ( 0.004 -0.244 0.195) 0.312 15.827 ( -0.643 -1.412 -0.276) 1.575 16.241 ( -0.191 -0.862 -0.953) 1.299 16.773 ( -1.567 4.813 -1.532) 5.288 16.930 ( -6.674 0.970 1.524) 6.914 17.069 ( -2.312 6.067 6.265) 9.022 17.413 ( -3.799 8.687 -4.311) 10.415 17.511 ( -2.487 1.734 -4.295) 5.257 17.799 ( 4.269 -0.801 11.152) 11.968 18.283 ( 1.150 -4.331 -4.282) 6.198 18.630 ( -5.929 -10.193 -10.749) 15.956 19.108 ( 7.044 -8.004 7.576) 13.079 ======================= Grid point 125 (29/50) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -14.366 -6.233 4.070) 16.180 2.553 ( -16.696 4.012 -1.599) 17.246 2.820 ( -10.334 6.607 -2.453) 12.508 2.890 ( 2.237 1.616 1.634) 3.207 2.963 ( -0.618 5.133 -0.180) 5.173 3.019 ( -2.948 2.211 -5.033) 6.238 3.121 ( -0.239 2.626 -3.098) 4.068 3.145 ( -1.082 4.662 -0.877) 4.866 3.239 ( 0.938 -1.554 3.007) 3.513 3.319 ( -2.675 -0.953 2.780) 3.974 3.560 ( -3.951 -0.772 0.177) 4.030 3.600 ( 5.163 2.861 -1.952) 6.217 3.616 ( 0.210 0.500 2.203) 2.268 3.728 ( 0.666 0.948 8.468) 8.547 3.773 ( -0.334 -1.219 0.528) 1.370 3.860 ( 2.339 0.857 1.149) 2.743 3.925 ( -3.123 1.625 -2.312) 4.212 4.013 ( -0.822 -0.974 -2.244) 2.581 4.080 ( -2.020 5.910 -0.846) 6.302 4.118 ( -1.413 -2.707 1.023) 3.220 4.187 ( 3.488 -0.537 0.555) 3.572 4.331 ( -2.395 -1.347 -6.723) 7.263 4.376 ( 0.387 -4.279 -1.039) 4.420 4.434 ( -6.695 -2.880 4.464) 8.547 4.480 ( -5.338 -2.103 0.916) 5.810 4.555 ( 0.886 0.378 -3.748) 3.870 4.605 ( -0.098 1.332 -2.980) 3.266 4.634 ( -6.563 -2.954 1.238) 7.303 4.671 ( -4.234 -1.293 -2.645) 5.158 4.742 ( 3.588 -2.604 2.840) 5.265 4.779 ( -3.059 -4.565 1.451) 5.683 4.879 ( -0.999 2.380 1.009) 2.771 4.961 ( -3.229 -2.054 0.118) 3.828 5.016 ( -1.512 2.190 0.152) 2.666 5.208 ( 8.826 -1.426 -0.299) 8.946 5.360 ( 6.575 -5.518 1.463) 8.707 6.021 ( 0.621 3.645 -1.007) 3.833 6.413 ( 0.747 -2.647 -0.297) 2.767 6.449 ( -0.920 1.376 1.776) 2.427 6.520 ( -0.263 0.840 0.418) 0.974 6.701 ( 0.606 -2.106 -1.345) 2.571 6.772 ( 0.042 -1.539 0.010) 1.540 6.835 ( 1.940 -1.260 -1.033) 2.534 6.888 ( -0.067 -2.247 0.082) 2.250 7.043 ( -1.638 -0.326 1.328) 2.134 7.780 ( -0.900 3.530 -0.571) 3.688 7.852 ( -1.385 5.137 -1.020) 5.418 8.320 ( 3.303 -1.323 1.364) 3.810 8.618 ( 2.568 2.203 0.523) 3.423 8.690 ( 1.649 -0.760 -0.078) 1.818 8.754 ( -2.601 1.844 -1.125) 3.381 8.911 ( 3.195 6.706 -1.834) 7.651 8.993 ( 3.101 0.205 6.803) 7.479 9.090 ( -0.727 1.061 7.149) 7.264 9.303 ( 1.036 -3.808 -4.404) 5.913 9.430 ( 2.581 0.433 -7.061) 7.530 9.550 ( 3.321 1.168 0.406) 3.544 9.634 ( -0.793 3.945 -2.680) 4.835 9.692 ( 0.008 -0.843 -5.848) 5.909 9.893 ( 1.768 -3.529 -4.339) 5.866 10.015 ( -3.609 3.330 5.916) 7.688 10.590 ( 5.729 -6.235 -9.149) 12.467 10.787 ( 4.842 -12.833 13.237) 19.061 11.160 ( -3.249 5.032 -4.739) 7.638 11.238 ( -0.688 -0.381 4.607) 4.674 11.303 ( -1.720 4.592 2.101) 5.335 11.493 ( -2.018 5.384 3.170) 6.566 11.609 ( -2.223 4.392 -3.691) 6.153 11.705 ( -0.734 2.935 -2.681) 4.042 11.734 ( -2.773 -0.272 8.037) 8.506 11.853 ( -2.652 -1.694 6.796) 7.489 12.105 ( 0.068 -0.466 -1.987) 2.042 12.136 ( -0.573 -1.252 -1.960) 2.395 12.214 ( -2.319 -0.519 -2.975) 3.807 12.537 ( -0.061 2.313 0.122) 2.317 12.836 ( -2.443 -9.910 -1.421) 10.305 12.930 ( -1.755 -3.201 -1.783) 4.063 13.144 ( 3.015 -4.499 -1.780) 5.701 15.763 ( 0.371 -0.069 0.219) 0.436 15.824 ( 1.360 -0.213 -0.303) 1.410 16.244 ( 1.103 -0.216 -0.971) 1.485 16.802 ( -2.762 7.302 -1.081) 7.882 16.847 ( -1.822 0.046 0.451) 1.877 17.090 ( -3.926 8.205 7.464) 11.767 17.402 ( -5.752 5.652 -4.985) 9.481 17.490 ( -1.229 0.692 -2.667) 3.017 17.903 ( 6.604 2.661 12.101) 14.040 18.311 ( 1.432 -4.667 -6.282) 7.956 18.492 ( 4.150 -4.152 -9.146) 10.868 19.169 ( 8.424 -7.514 5.519) 12.565 ======================= Grid point 126 (30/50) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -18.804 -7.138 9.233) 22.131 2.196 ( -25.385 2.826 1.368) 25.578 2.591 ( -16.736 -1.015 -5.069) 17.516 2.769 ( -9.962 -5.244 -12.959) 17.166 2.892 ( -13.363 0.442 5.010) 14.278 2.935 ( -9.524 2.610 -2.239) 10.126 3.135 ( 2.498 0.336 -3.231) 4.098 3.170 ( -0.504 0.702 1.833) 2.027 3.256 ( -0.623 -0.120 1.890) 1.993 3.336 ( -0.349 4.019 -1.871) 4.447 3.521 ( -0.574 -2.597 3.696) 4.554 3.573 ( -4.394 -5.087 3.804) 7.723 3.597 ( -11.708 -5.089 9.820) 16.106 3.710 ( 1.300 0.619 -1.314) 1.949 3.790 ( -0.692 5.161 0.192) 5.211 3.869 ( -2.931 1.145 -2.440) 3.982 3.917 ( 1.503 1.649 -1.182) 2.525 4.005 ( -11.973 -5.270 4.646) 13.882 4.041 ( -0.670 -3.634 -0.736) 3.768 4.089 ( -1.341 -0.895 0.188) 1.623 4.136 ( -0.272 2.936 -1.128) 3.158 4.155 ( -12.854 -3.646 -5.749) 14.546 4.244 ( 3.186 -1.588 0.296) 3.573 4.339 ( -1.059 -4.107 -1.848) 4.627 4.414 ( -3.156 1.246 1.089) 3.564 4.489 ( -5.072 -3.272 -4.418) 7.480 4.506 ( -7.070 -3.547 -4.797) 9.251 4.586 ( -1.264 -0.267 -2.834) 3.115 4.642 ( 0.397 2.166 -2.210) 3.119 4.688 ( -3.286 -2.304 2.286) 4.618 4.787 ( 0.458 -0.230 2.607) 2.656 4.834 ( -1.622 -2.932 4.919) 5.952 4.899 ( 0.292 2.409 1.011) 2.629 5.017 ( -1.895 2.330 0.435) 3.034 5.341 ( 6.856 0.969 5.209) 8.665 5.470 ( 10.137 -5.168 -2.787) 11.715 6.101 ( 3.565 3.642 -0.416) 5.114 6.389 ( -1.481 -2.086 -0.651) 2.640 6.420 ( -1.781 -1.233 -0.123) 2.169 6.536 ( 0.102 2.058 2.440) 3.194 6.663 ( -0.714 -4.580 -0.076) 4.636 6.775 ( -0.869 -0.190 -0.122) 0.898 6.829 ( -1.728 -0.317 -1.334) 2.206 6.881 ( 2.067 0.656 -1.219) 2.488 6.992 ( -3.013 -0.499 0.714) 3.137 7.765 ( -2.251 -0.287 -0.263) 2.284 7.942 ( 3.542 6.558 -2.421) 7.837 8.396 ( 5.921 -0.614 4.656) 7.557 8.715 ( 4.872 2.214 0.183) 5.354 8.745 ( 2.575 1.440 -0.514) 2.995 8.803 ( 6.876 2.070 -3.486) 7.982 9.035 ( 2.535 -0.273 6.751) 7.217 9.069 ( 4.117 6.649 -3.345) 8.506 9.118 ( 2.405 1.221 7.059) 7.557 9.301 ( 2.580 -1.744 -5.977) 6.740 9.480 ( 3.123 -0.389 -3.916) 5.024 9.589 ( 0.816 -0.975 -2.971) 3.232 9.702 ( 0.252 7.653 -5.363) 9.349 9.724 ( 5.140 -1.039 4.075) 6.641 9.928 ( 5.163 -2.096 -7.636) 9.453 10.005 ( -1.785 5.989 4.983) 7.993 10.614 ( 4.108 -7.707 -6.070) 10.635 10.730 ( 3.168 -8.940 12.441) 15.644 11.132 ( -3.685 2.213 -3.059) 5.276 11.228 ( -2.598 4.673 0.845) 5.413 11.330 ( 0.203 2.062 0.813) 2.225 11.503 ( -1.747 3.168 5.199) 6.334 11.602 ( -1.831 0.966 -3.399) 3.980 11.689 ( -3.218 2.547 8.991) 9.883 11.718 ( -0.677 1.329 0.507) 1.575 11.789 ( -2.557 -1.457 4.669) 5.519 12.030 ( -4.508 -3.039 -3.671) 6.560 12.110 ( -1.659 -3.987 -4.993) 6.601 12.144 ( -3.953 -1.741 0.532) 4.352 12.505 ( -7.555 4.994 -0.251) 9.060 12.655 ( -5.158 -10.762 -3.569) 12.456 12.853 ( -2.643 -3.092 1.272) 4.262 13.086 ( -2.767 -5.401 -1.635) 6.285 15.776 ( 1.068 0.152 -0.118) 1.085 15.863 ( 2.573 0.446 -0.062) 2.612 16.273 ( 2.109 0.222 -1.050) 2.367 16.781 ( -4.806 4.880 -3.220) 7.569 16.906 ( 4.931 1.450 4.053) 6.545 17.091 ( -5.648 8.450 7.061) 12.376 17.340 ( -4.387 1.229 -5.343) 7.022 17.479 ( -1.037 0.434 -2.440) 2.687 17.918 ( -5.842 -7.887 6.313) 11.670 18.386 ( 14.257 3.164 -8.537) 16.916 18.681 ( 12.017 6.130 0.896) 13.519 19.245 ( 8.302 -7.070 2.008) 11.088 ======================= Grid point 127 (31/50) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -21.176 -3.271 15.026) 26.170 1.744 ( -27.996 3.383 5.885) 28.807 2.219 ( -18.994 -8.669 -10.234) 23.252 2.477 ( -17.691 -2.113 -17.803) 25.187 2.611 ( -16.397 0.067 9.048) 18.728 2.774 ( -10.410 -0.374 -0.242) 10.420 3.005 ( -29.541 -9.184 7.300) 31.786 3.036 ( -12.216 -5.430 3.928) 13.934 3.112 ( -15.776 -1.794 4.116) 16.402 3.273 ( 2.605 0.027 -0.646) 2.685 3.355 ( -1.953 2.693 -3.282) 4.673 3.407 ( -5.301 -3.817 0.692) 6.569 3.504 ( -3.108 -0.667 3.326) 4.600 3.616 ( -7.986 -2.930 -5.570) 10.168 3.758 ( -10.504 -0.868 -11.888) 15.888 3.771 ( -5.148 -0.018 1.309) 5.312 3.816 ( -3.770 0.947 -1.462) 4.153 3.874 ( -7.793 2.846 -2.205) 8.584 3.993 ( 0.149 0.784 0.315) 0.858 4.077 ( 2.955 -5.660 -0.320) 6.393 4.142 ( 4.183 0.450 0.725) 4.269 4.199 ( 3.953 0.472 1.427) 4.230 4.272 ( -1.933 -1.773 -0.145) 2.627 4.313 ( 1.659 -0.165 -0.932) 1.910 4.330 ( 0.797 -0.447 -1.557) 1.806 4.398 ( -1.176 -1.244 -0.499) 1.783 4.430 ( -1.204 2.179 -1.579) 2.948 4.489 ( -8.777 1.050 0.926) 8.888 4.622 ( -1.115 -0.287 6.092) 6.200 4.670 ( 0.459 -2.021 -1.442) 2.524 4.776 ( 1.733 -1.214 -2.662) 3.401 4.907 ( 4.809 2.843 6.235) 8.371 4.939 ( 2.036 2.026 1.376) 3.185 4.996 ( -1.635 0.820 -0.875) 2.028 5.429 ( 2.038 -1.333 8.685) 9.020 5.617 ( 10.102 -1.372 -6.429) 12.052 6.203 ( 3.958 2.075 0.636) 4.514 6.303 ( -5.231 -0.665 -2.114) 5.681 6.392 ( 0.103 -2.158 -0.056) 2.162 6.512 ( -4.305 -0.115 3.727) 5.695 6.637 ( 0.672 -0.233 -0.527) 0.885 6.690 ( -4.299 -2.351 -0.631) 4.940 6.820 ( -1.973 0.466 -0.218) 2.039 6.938 ( 2.680 1.417 -2.383) 3.856 6.960 ( 0.065 0.793 -0.236) 0.830 7.718 ( -1.929 -0.965 -0.157) 2.163 8.053 ( 1.892 3.119 -5.059) 6.237 8.503 ( 7.009 -1.675 8.286) 10.981 8.806 ( 2.406 4.430 -0.826) 5.108 8.848 ( 6.366 0.827 -0.127) 6.421 8.949 ( 6.437 -1.570 -5.401) 8.548 9.056 ( 2.636 -1.262 5.258) 6.015 9.178 ( 0.533 4.100 3.703) 5.551 9.201 ( 5.476 1.655 -3.668) 6.796 9.361 ( 3.100 0.608 -5.937) 6.725 9.517 ( 3.767 -2.788 3.919) 6.109 9.644 ( 6.373 0.564 -5.908) 8.708 9.767 ( 1.283 2.700 -1.129) 3.195 9.828 ( 4.221 4.273 -1.713) 6.246 9.978 ( 2.954 -0.662 -0.807) 3.133 10.101 ( 4.163 2.696 -1.142) 5.089 10.575 ( 2.645 -5.635 14.121) 15.432 10.787 ( 8.451 -0.961 -3.533) 9.210 11.092 ( -2.829 1.890 -3.657) 4.994 11.238 ( -1.904 4.757 0.509) 5.149 11.339 ( -0.771 0.381 -0.536) 1.013 11.496 ( 0.125 -1.734 7.943) 8.132 11.569 ( -1.046 -1.833 -1.733) 2.731 11.681 ( -2.545 6.290 7.801) 10.339 11.701 ( -2.592 0.852 3.915) 4.772 11.717 ( -4.047 -2.058 3.160) 5.531 11.913 ( -5.290 -3.187 -7.066) 9.385 11.977 ( -5.681 -4.146 0.001) 7.033 12.055 ( -4.522 -1.809 -1.418) 5.073 12.363 ( -11.261 -0.868 -5.077) 12.383 12.484 ( -5.077 -2.148 -1.169) 5.636 12.781 ( -2.473 -1.885 3.727) 4.854 12.972 ( -4.240 -2.965 -2.661) 5.818 15.802 ( 1.575 0.190 -0.735) 1.749 15.916 ( 2.631 0.443 0.534) 2.721 16.320 ( 2.733 0.344 -1.169) 2.992 16.746 ( -3.358 2.377 -3.071) 5.134 17.001 ( 1.582 3.684 5.669) 6.943 17.055 ( -3.056 -0.009 6.035) 6.764 17.303 ( -1.421 2.537 -4.750) 5.570 17.442 ( -4.664 1.457 -2.132) 5.331 17.650 ( -11.996 -9.065 -1.082) 15.075 18.762 ( 19.534 5.828 -1.281) 20.425 18.998 ( 15.225 6.774 1.313) 16.716 19.315 ( 7.555 -6.877 -1.239) 10.291 ======================= Grid point 132 (32/50) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 12.200 16.139 12.948) 24.020 2.296 ( 17.979 20.634 2.706) 27.501 2.510 ( 4.883 21.791 -7.763) 23.643 2.708 ( 4.446 9.284 -18.737) 21.378 2.900 ( 6.307 11.306 5.284) 13.983 3.005 ( 8.889 9.225 0.903) 12.843 3.120 ( -1.116 0.243 0.384) 1.205 3.184 ( 1.176 1.365 0.846) 1.991 3.274 ( 3.055 2.267 2.188) 4.389 3.364 ( 2.377 7.545 3.037) 8.474 3.419 ( -2.954 5.159 0.079) 5.945 3.516 ( 2.492 7.472 3.287) 8.535 3.588 ( 9.580 4.017 0.063) 10.389 3.716 ( 1.216 3.054 3.501) 4.803 3.847 ( -0.672 2.198 -0.644) 2.387 3.876 ( -6.700 -3.423 2.802) 8.029 3.914 ( 3.651 7.880 0.196) 8.687 3.947 ( 2.118 6.227 -1.337) 6.712 3.993 ( 2.733 -2.680 -1.666) 4.175 4.073 ( 0.317 0.088 1.326) 1.366 4.135 ( 3.504 5.681 -0.889) 6.733 4.158 ( -0.473 -1.700 -1.280) 2.180 4.263 ( 4.902 1.335 -2.320) 5.585 4.303 ( 2.285 1.239 -2.979) 3.954 4.406 ( 1.533 8.226 -6.283) 10.463 4.435 ( 2.139 3.989 0.052) 4.527 4.489 ( 0.165 3.019 -4.258) 5.223 4.611 ( 1.238 -3.396 -2.820) 4.584 4.634 ( 1.206 4.192 1.732) 4.694 4.668 ( 1.993 2.342 3.736) 4.839 4.765 ( 0.643 2.054 0.839) 2.310 4.860 ( 0.940 -4.442 4.913) 6.690 4.914 ( -0.769 -1.849 2.492) 3.197 5.041 ( 0.493 2.679 -0.726) 2.819 5.312 ( -10.753 -2.007 1.519) 11.044 5.420 ( -0.568 -13.203 0.206) 13.217 6.145 ( -1.955 -2.598 0.403) 3.276 6.359 ( 0.031 -0.634 -1.304) 1.450 6.404 ( 2.114 3.830 -1.096) 4.510 6.567 ( -2.862 2.991 2.277) 4.724 6.603 ( 3.007 -2.468 0.612) 3.938 6.769 ( 1.730 2.708 0.693) 3.287 6.828 ( -0.428 -0.744 -0.885) 1.233 6.887 ( -1.916 -2.329 -1.827) 3.526 7.000 ( 2.213 1.606 0.518) 2.783 7.765 ( 1.975 3.309 -0.291) 3.865 8.019 ( -1.923 -2.905 -3.798) 5.154 8.370 ( -3.821 -4.603 5.896) 8.400 8.740 ( -3.682 -5.219 0.414) 6.400 8.767 ( -1.152 -4.626 -1.181) 4.911 8.858 ( 0.886 -3.017 -2.660) 4.119 8.994 ( -3.618 -0.730 4.176) 5.574 9.056 ( -6.489 -3.942 2.775) 8.084 9.244 ( 4.967 -3.722 -2.217) 6.590 9.296 ( -1.702 -4.175 -4.553) 6.408 9.434 ( -4.516 1.551 2.083) 5.209 9.550 ( -3.279 -2.671 -4.492) 6.169 9.732 ( -0.701 -3.622 2.207) 4.299 9.848 ( -4.964 -0.085 -7.076) 8.643 9.865 ( 3.688 -5.369 -6.023) 8.872 10.124 ( 2.510 -0.920 4.824) 5.515 10.461 ( -4.793 -2.165 5.237) 7.422 10.649 ( -2.046 -6.932 2.937) 7.801 11.143 ( 1.088 1.716 -0.577) 2.112 11.299 ( -1.790 2.229 -1.525) 3.240 11.355 ( 2.591 0.284 -3.316) 4.218 11.483 ( -2.310 4.387 7.617) 9.089 11.605 ( 2.682 2.380 1.183) 3.776 11.734 ( 1.600 2.266 2.485) 3.724 11.787 ( 2.375 2.732 4.620) 5.869 11.823 ( 6.511 -0.367 8.125) 10.418 11.947 ( -1.841 5.139 -7.388) 9.186 12.067 ( 4.496 3.987 -3.204) 6.809 12.163 ( 5.586 2.369 1.319) 6.209 12.406 ( -7.365 8.514 -8.416) 14.055 12.658 ( 10.495 2.944 0.890) 10.936 12.809 ( 0.739 1.594 3.725) 4.119 12.998 ( -1.441 2.689 -3.480) 4.628 15.776 ( -0.713 -1.031 -0.210) 1.271 15.869 ( -1.330 -2.519 0.041) 2.849 16.274 ( -1.339 -2.033 -1.021) 2.640 16.816 ( 0.163 3.030 -1.298) 3.301 16.978 ( 2.823 -2.880 7.078) 8.146 17.200 ( 1.701 8.620 4.547) 9.893 17.372 ( 6.456 1.161 -4.727) 8.085 17.518 ( 3.290 0.197 -5.501) 6.412 17.716 ( -4.871 9.606 1.735) 10.909 18.455 ( -7.049 -17.085 -6.138) 19.474 18.835 ( 0.613 -13.289 7.698) 15.369 19.067 ( -11.890 -5.839 -2.679) 13.514 ======================= Grid point 133 (33/50) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 13.466 12.943 9.374) 20.898 2.725 ( 2.366 12.750 -0.916) 13.000 2.814 ( 8.848 15.855 -3.461) 18.484 2.862 ( 3.133 13.374 -11.814) 18.118 3.012 ( -2.231 -3.431 -2.799) 4.958 3.040 ( -0.875 5.465 3.946) 6.797 3.139 ( -0.186 0.693 -0.205) 0.746 3.271 ( 1.063 0.691 4.939) 5.099 3.330 ( -1.976 8.476 0.740) 8.735 3.388 ( -0.969 -0.365 -1.139) 1.539 3.513 ( 2.508 6.118 -0.007) 6.612 3.600 ( 3.099 1.191 1.647) 3.707 3.668 ( -0.808 -3.237 0.271) 3.347 3.700 ( -4.919 -1.712 5.370) 7.481 3.764 ( 1.061 2.930 0.303) 3.131 3.830 ( -1.747 1.450 2.053) 3.061 3.931 ( -0.285 -0.916 -1.946) 2.169 4.041 ( 3.456 -1.112 -3.324) 4.922 4.066 ( 1.333 1.576 0.294) 2.084 4.125 ( 2.332 -3.266 0.430) 4.036 4.193 ( 3.594 5.672 0.389) 6.727 4.220 ( -0.640 7.127 0.309) 7.162 4.337 ( 2.010 2.279 -3.068) 4.318 4.417 ( 4.100 2.292 -0.872) 4.777 4.484 ( -0.035 2.104 0.139) 2.108 4.525 ( 3.459 2.529 -3.383) 5.459 4.564 ( 1.001 6.105 -1.962) 6.490 4.633 ( 5.337 0.237 -1.877) 5.663 4.685 ( -0.474 -1.684 2.460) 3.019 4.718 ( 1.798 2.188 0.037) 2.833 4.825 ( 3.555 0.544 1.772) 4.010 4.853 ( 3.849 -3.771 3.327) 6.332 4.896 ( -0.916 1.060 1.243) 1.873 5.045 ( -1.672 -0.002 -2.781) 3.245 5.110 ( -5.568 -1.916 0.623) 5.922 5.286 ( -0.636 -12.648 1.801) 12.791 6.096 ( -2.742 1.803 -0.590) 3.334 6.350 ( 1.490 -2.975 -1.039) 3.485 6.480 ( 1.593 3.178 -1.138) 3.732 6.521 ( -2.440 1.016 1.003) 2.827 6.663 ( 3.729 -0.785 1.258) 4.012 6.757 ( -0.384 -4.168 0.174) 4.189 6.803 ( -1.947 -2.108 -0.391) 2.897 6.853 ( 0.198 -0.887 -0.266) 0.947 7.047 ( 1.105 1.206 1.334) 2.110 7.843 ( 1.085 5.108 -0.773) 5.279 7.950 ( -3.854 1.293 -2.664) 4.860 8.276 ( -1.251 -4.794 2.384) 5.498 8.650 ( -2.112 -0.500 -0.064) 2.171 8.721 ( -0.723 -1.720 0.125) 1.870 8.861 ( -0.006 -1.644 3.128) 3.534 8.901 ( -2.590 -3.996 6.251) 7.858 8.941 ( -4.096 3.302 -3.631) 6.393 9.228 ( -2.772 -1.627 -1.456) 3.529 9.274 ( 2.750 -4.695 -3.103) 6.263 9.389 ( -3.795 4.057 1.083) 5.659 9.478 ( -0.674 -2.425 -1.864) 3.132 9.681 ( -0.523 -4.093 2.415) 4.781 9.762 ( -3.528 1.060 -9.176) 9.888 9.872 ( 0.354 -3.231 -6.888) 7.617 10.148 ( -1.295 2.972 5.545) 6.423 10.385 ( 1.560 -6.025 -1.712) 6.455 10.577 ( 3.681 -10.249 6.689) 12.780 11.180 ( 1.551 1.016 3.186) 3.687 11.269 ( -3.585 4.149 -4.510) 7.100 11.396 ( 1.043 -1.337 -0.561) 1.786 11.515 ( -1.085 7.918 3.656) 8.789 11.669 ( 0.364 3.141 4.916) 5.845 11.783 ( 0.733 1.765 3.695) 4.160 11.843 ( -1.978 7.119 1.697) 7.581 11.872 ( 1.302 -2.632 5.064) 5.854 11.999 ( 2.333 4.189 -3.809) 6.124 12.177 ( 2.521 2.363 -3.348) 4.812 12.293 ( 5.695 1.867 0.648) 6.028 12.341 ( -3.295 0.961 -6.315) 7.188 12.808 ( 3.741 -6.865 6.452) 10.137 12.871 ( 7.200 2.384 -4.849) 9.002 12.980 ( -1.432 -0.165 -3.935) 4.191 15.760 ( -0.248 -0.339 0.089) 0.430 15.823 ( -0.982 -2.116 -0.169) 2.339 16.237 ( -0.698 -1.352 -0.861) 1.748 16.818 ( -0.963 0.377 1.888) 2.153 17.039 ( 1.348 4.468 7.508) 8.840 17.229 ( -6.957 9.591 -0.320) 11.853 17.502 ( 2.550 0.806 -4.001) 4.813 17.645 ( 7.450 8.018 -2.135) 11.152 17.696 ( -5.145 5.721 0.769) 7.732 18.213 ( -1.819 -11.483 -7.295) 13.725 18.667 ( -9.414 -9.713 1.731) 13.637 18.862 ( 3.933 -14.078 3.374) 15.001 ======================= Grid point 134 (34/50) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -9.417 1.778 6.093) 11.356 2.697 ( 4.958 5.853 -0.587) 7.693 2.967 ( -3.037 0.756 -2.530) 4.024 2.994 ( -2.763 7.011 -3.980) 8.522 3.063 ( -0.616 1.908 0.314) 2.029 3.132 ( -1.817 8.038 -1.513) 8.378 3.167 ( -2.012 11.422 -1.061) 11.646 3.181 ( -2.191 -1.218 3.057) 3.953 3.273 ( -5.556 4.867 0.051) 7.387 3.377 ( -3.746 -0.115 1.463) 4.023 3.550 ( 2.327 1.210 -9.179) 9.546 3.630 ( -1.595 0.024 2.505) 2.970 3.637 ( -1.284 -0.085 1.716) 2.145 3.675 ( 1.159 -1.597 8.766) 8.985 3.819 ( 0.263 6.508 0.767) 6.559 3.844 ( 1.039 0.369 2.225) 2.483 3.957 ( 1.149 0.706 -4.397) 4.599 4.021 ( -1.151 -1.971 -3.446) 4.133 4.081 ( -0.823 -5.350 1.966) 5.759 4.125 ( 2.470 -0.517 -1.935) 3.180 4.216 ( -3.078 3.622 0.704) 4.805 4.305 ( 1.539 1.762 -0.447) 2.381 4.357 ( -0.502 -0.555 -4.614) 4.674 4.479 ( -0.334 2.404 4.247) 4.892 4.507 ( 1.681 -1.578 -1.412) 2.704 4.562 ( -2.704 -2.055 1.240) 3.616 4.625 ( -0.452 0.763 0.312) 0.940 4.632 ( 4.207 1.964 -0.068) 4.644 4.699 ( -0.507 -0.200 -0.783) 0.954 4.715 ( -3.491 -1.621 0.111) 3.850 4.829 ( -5.438 -2.212 2.019) 6.208 4.871 ( 4.411 1.589 0.741) 4.746 4.972 ( 4.530 -4.159 -1.046) 6.238 5.039 ( 0.354 0.965 -1.713) 1.997 5.049 ( 0.217 -1.764 -0.537) 1.856 5.185 ( 4.381 -8.084 2.584) 9.551 6.084 ( -2.495 4.617 -1.155) 5.374 6.348 ( 2.302 -4.212 -0.798) 4.866 6.492 ( -1.527 2.471 0.539) 2.954 6.536 ( 0.018 1.639 -0.870) 1.856 6.684 ( -0.240 -1.173 0.096) 1.201 6.719 ( 1.289 -4.940 -0.244) 5.112 6.776 ( 2.420 -1.146 1.286) 2.970 6.846 ( 1.340 -2.462 0.137) 2.806 7.061 ( -0.399 0.313 1.622) 1.699 7.876 ( -3.334 5.298 -1.376) 6.410 7.931 ( -1.749 3.769 -1.818) 4.536 8.239 ( 2.478 -3.850 0.810) 4.650 8.640 ( -1.395 2.900 0.255) 3.228 8.691 ( -1.554 0.596 1.387) 2.166 8.806 ( -1.857 -1.224 2.455) 3.313 8.879 ( 3.402 -2.174 6.281) 7.466 8.990 ( 1.077 7.814 -3.935) 8.815 9.141 ( -4.532 -1.504 1.360) 4.965 9.252 ( 0.401 -3.447 -2.882) 4.512 9.399 ( 1.274 1.840 -3.455) 4.116 9.498 ( 3.443 0.911 2.106) 4.137 9.628 ( -0.183 -4.960 1.649) 5.230 9.749 ( -1.309 4.571 -9.291) 10.437 9.834 ( -0.124 -2.972 -8.095) 8.624 10.126 ( -4.703 3.978 6.971) 9.303 10.401 ( 6.848 -6.605 -6.807) 11.698 10.552 ( 5.973 -12.020 9.766) 16.599 11.202 ( 0.212 -0.756 6.338) 6.386 11.273 ( -1.344 5.471 -6.207) 8.382 11.381 ( -1.147 -0.330 -0.658) 1.363 11.570 ( -2.093 6.370 3.822) 7.718 11.687 ( -1.330 2.849 2.127) 3.796 11.778 ( -2.570 1.094 3.198) 4.246 11.852 ( -1.421 0.123 7.166) 7.306 11.863 ( -3.907 6.543 2.553) 8.037 12.086 ( 2.551 2.882 -3.028) 4.897 12.187 ( -3.821 1.616 -0.375) 4.165 12.235 ( -3.200 -2.665 -10.131) 10.954 12.478 ( 9.008 0.548 1.544) 9.156 12.742 ( -0.272 -10.217 3.345) 10.754 12.930 ( -1.172 -1.983 -5.059) 5.559 13.011 ( 5.739 -2.798 -2.473) 6.847 15.759 ( 0.054 0.077 0.195) 0.216 15.799 ( 0.573 -1.183 -0.227) 1.334 16.224 ( 0.467 -0.678 -0.790) 1.141 16.811 ( 0.405 -0.221 3.666) 3.695 17.050 ( -8.076 8.135 3.597) 12.014 17.238 ( -1.515 8.992 6.458) 11.174 17.519 ( -1.204 1.965 -5.042) 5.544 17.628 ( -10.286 5.480 -7.765) 14.005 17.841 ( 5.644 6.228 0.700) 8.434 18.220 ( 5.998 -0.005 2.084) 6.350 18.375 ( -4.574 -13.002 -7.713) 15.795 18.868 ( 11.667 -14.629 5.872) 19.612 ======================= Grid point 136 (35/50) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -18.184 -1.240 7.988) 19.900 2.678 ( -20.536 6.483 -0.648) 21.544 2.875 ( -7.745 -3.100 -5.789) 10.154 2.903 ( -14.361 0.971 -8.432) 16.682 3.004 ( 0.733 0.302 -2.034) 2.183 3.091 ( -1.651 -1.746 1.802) 3.003 3.138 ( 1.014 0.761 0.702) 1.449 3.203 ( -7.189 6.247 3.670) 10.207 3.312 ( -4.097 2.102 0.708) 4.659 3.375 ( 1.879 6.811 0.014) 7.066 3.538 ( -3.917 -1.395 3.807) 5.638 3.602 ( -3.112 -1.616 -1.377) 3.768 3.665 ( 3.778 1.470 -2.185) 4.605 3.676 ( 0.159 -0.172 7.999) 8.002 3.846 ( 0.041 0.486 2.285) 2.337 3.887 ( 2.191 -0.538 -3.709) 4.342 3.908 ( -2.518 -1.588 3.078) 4.283 3.978 ( -1.177 -0.294 -4.186) 4.358 4.055 ( 0.253 -1.249 0.454) 1.353 4.135 ( 0.719 -2.997 -0.510) 3.124 4.173 ( -4.580 1.531 0.335) 4.841 4.293 ( -3.923 -1.857 0.959) 4.445 4.343 ( -1.307 1.032 -6.548) 6.756 4.371 ( -12.425 -2.845 1.518) 12.836 4.484 ( -3.871 4.408 2.504) 6.379 4.534 ( 1.584 -0.778 -2.522) 3.078 4.584 ( -6.272 -0.428 -5.834) 8.576 4.594 ( -4.467 -4.920 -0.286) 6.652 4.689 ( -2.823 2.460 -0.342) 3.760 4.696 ( 0.705 -2.569 1.237) 2.937 4.760 ( 2.691 3.812 3.892) 6.076 4.872 ( -5.318 -5.522 1.656) 7.843 4.912 ( -0.766 0.545 1.072) 1.426 5.073 ( -0.726 1.413 -0.229) 1.605 5.148 ( 12.704 -2.153 -1.943) 13.030 5.256 ( 7.739 -3.556 2.814) 8.970 6.100 ( 0.007 2.981 -0.563) 3.033 6.348 ( 1.792 -2.652 -1.100) 3.384 6.474 ( -3.245 0.693 -0.292) 3.331 6.549 ( 0.972 1.544 -0.707) 1.957 6.637 ( -1.947 -2.769 2.255) 4.067 6.745 ( 3.701 -0.568 0.069) 3.745 6.821 ( 2.496 -0.830 -0.681) 2.717 6.852 ( 0.992 -0.670 0.043) 1.197 7.041 ( -2.093 0.167 1.298) 2.469 7.839 ( -4.868 1.829 -0.729) 5.251 7.957 ( 0.875 3.425 -2.634) 4.408 8.283 ( 5.189 -1.773 2.216) 5.914 8.658 ( 2.017 0.874 0.115) 2.201 8.697 ( 1.270 1.572 0.553) 2.096 8.804 ( 0.286 2.934 1.776) 3.441 8.946 ( 5.644 -2.116 5.716) 8.307 9.036 ( -0.327 -2.296 -2.542) 3.441 9.138 ( 2.153 7.050 1.196) 7.468 9.242 ( 1.764 -1.429 -4.592) 5.122 9.440 ( 1.324 0.486 -3.323) 3.610 9.552 ( 0.855 -4.593 0.616) 4.712 9.627 ( 5.297 1.594 3.885) 6.760 9.790 ( -0.643 5.770 -7.437) 9.435 9.829 ( 2.689 -2.209 -9.667) 10.275 10.096 ( -2.573 4.491 6.129) 8.022 10.452 ( 4.990 -6.518 -6.199) 10.286 10.551 ( 6.513 -7.399 11.251) 14.958 11.179 ( -1.558 -0.693 3.317) 3.730 11.313 ( -0.991 4.619 -3.177) 5.693 11.357 ( -0.658 -0.728 -3.008) 3.164 11.557 ( -3.548 1.336 6.480) 7.508 11.663 ( -4.088 1.331 -1.367) 4.511 11.756 ( -0.939 1.477 4.598) 4.920 11.823 ( -2.276 0.995 10.039) 10.342 11.845 ( -5.413 6.153 2.042) 8.446 12.070 ( -4.815 -3.409 -6.121) 8.502 12.135 ( -2.528 0.615 -7.148) 7.607 12.183 ( -1.340 0.930 1.443) 2.178 12.558 ( 0.958 -10.306 -6.747) 12.355 12.660 ( -1.113 3.894 6.309) 7.497 12.867 ( -2.776 -2.512 -1.660) 4.096 13.039 ( 1.712 -4.519 -3.037) 5.708 15.761 ( 0.456 -0.080 0.100) 0.474 15.821 ( 2.280 -0.064 -0.182) 2.289 16.238 ( 1.609 -0.220 -0.872) 1.844 16.830 ( 1.671 -0.413 2.863) 3.340 16.977 ( -7.047 6.547 3.266) 10.158 17.305 ( -4.258 10.164 9.473) 14.532 17.450 ( -7.916 -3.281 -7.858) 11.627 17.522 ( -2.844 4.326 -6.344) 8.188 17.921 ( -5.044 -4.888 8.152) 10.761 18.167 ( 10.187 -3.802 -15.629) 19.039 18.539 ( 12.025 8.574 5.510) 15.763 18.953 ( 12.825 -12.053 2.105) 17.725 ======================= Grid point 144 (36/50) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 9.410 12.391 6.704) 16.942 2.817 ( -6.219 -0.241 1.150) 6.329 2.886 ( -0.915 -8.192 -2.975) 8.763 3.043 ( 2.263 4.526 -2.278) 5.549 3.077 ( 0.424 0.008 1.770) 1.820 3.183 ( 7.458 10.439 -0.621) 12.845 3.210 ( 4.030 8.055 -0.246) 9.010 3.320 ( -1.771 3.233 -3.976) 5.422 3.346 ( 0.132 -2.962 -0.911) 3.102 3.471 ( 3.524 3.569 1.735) 5.308 3.562 ( -1.800 -3.645 -7.156) 8.230 3.591 ( -1.166 -3.808 0.800) 4.062 3.647 ( 0.531 4.050 4.721) 6.243 3.679 ( 2.379 0.831 5.816) 6.338 3.795 ( -2.830 -0.667 -0.728) 2.997 3.891 ( -0.846 5.222 0.524) 5.316 3.952 ( 2.147 0.053 0.912) 2.333 3.991 ( 0.759 -2.440 -4.723) 5.370 4.044 ( 1.243 -0.751 0.697) 1.611 4.099 ( -2.307 -0.377 -1.153) 2.607 4.226 ( -0.872 -3.124 -0.630) 3.304 4.324 ( 0.936 4.082 -2.290) 4.773 4.375 ( 2.910 2.494 -1.519) 4.123 4.488 ( -1.732 -0.930 -1.911) 2.742 4.505 ( 0.711 0.892 3.545) 3.724 4.575 ( -0.142 2.211 4.705) 5.201 4.621 ( 0.417 1.043 -0.257) 1.152 4.647 ( 1.931 -3.018 1.667) 3.952 4.666 ( 0.571 5.088 -0.526) 5.147 4.751 ( 2.164 -3.782 0.580) 4.396 4.801 ( 1.262 5.372 -1.850) 5.821 4.876 ( -3.261 -0.471 -2.093) 3.904 4.936 ( -2.781 3.079 0.732) 4.213 4.957 ( 4.231 -3.793 0.190) 5.686 5.071 ( -4.323 -8.181 1.298) 9.343 5.111 ( -0.834 0.170 0.223) 0.879 6.160 ( 2.080 3.755 -1.035) 4.416 6.278 ( -2.057 -3.710 -1.197) 4.408 6.530 ( 0.453 0.090 -2.005) 2.058 6.552 ( 1.036 3.437 -1.119) 3.760 6.658 ( -2.278 -4.576 -0.473) 5.133 6.678 ( 2.115 2.180 3.048) 4.303 6.754 ( -2.336 -2.650 1.597) 3.877 6.816 ( -0.882 -1.717 0.348) 1.961 7.065 ( 0.319 0.450 1.765) 1.849 7.947 ( 2.542 3.874 -1.913) 5.013 7.973 ( 0.089 0.731 -2.810) 2.905 8.184 ( -2.073 -3.430 1.202) 4.184 8.678 ( 1.471 2.287 1.082) 2.927 8.728 ( 1.240 2.458 1.599) 3.184 8.789 ( -0.110 -3.936 5.246) 6.559 8.829 ( -3.630 -3.268 3.670) 6.109 9.067 ( 0.162 7.507 -4.513) 8.761 9.166 ( 3.891 -4.768 -2.509) 6.645 9.197 ( -2.735 -1.791 -3.968) 5.141 9.445 ( 2.078 -0.525 0.533) 2.209 9.476 ( -5.092 3.299 3.258) 6.887 9.562 ( 0.085 -5.769 5.092) 7.695 9.792 ( -0.694 1.673 -11.582) 11.722 9.826 ( 0.586 -1.892 -9.914) 10.110 10.205 ( 5.004 3.486 5.759) 8.388 10.318 ( -5.821 -0.662 -3.234) 6.692 10.382 ( -2.110 -8.108 7.149) 11.013 11.197 ( 0.417 0.647 8.176) 8.213 11.337 ( -1.021 1.739 -5.757) 6.100 11.360 ( 1.050 -1.324 -4.761) 5.051 11.658 ( 3.083 5.256 6.997) 9.278 11.727 ( -2.375 3.390 6.150) 7.414 11.768 ( 3.593 -4.024 5.431) 7.655 11.828 ( -1.454 -0.765 3.730) 4.076 12.000 ( 3.796 6.396 -0.200) 7.441 12.110 ( -2.268 2.602 -3.535) 4.941 12.187 ( 1.867 1.332 -8.570) 8.872 12.270 ( 8.939 -1.130 1.737) 9.176 12.394 ( -9.911 0.451 -3.884) 10.655 12.651 ( -0.064 -5.678 4.089) 6.998 12.912 ( 1.980 1.759 -3.629) 4.493 12.964 ( -2.416 -1.493 -3.295) 4.350 15.761 ( 0.205 0.437 0.086) 0.490 15.785 ( -0.755 -1.395 -0.098) 1.589 16.216 ( -0.343 -0.558 -0.706) 0.963 16.806 ( -0.368 -0.606 4.440) 4.496 17.163 ( 5.230 6.633 8.035) 11.658 17.327 ( -3.710 -3.284 10.068) 11.221 17.556 ( 1.824 5.581 -6.629) 8.855 17.689 ( 8.539 4.913 -12.396) 15.834 17.930 ( -9.925 -6.509 -17.022) 20.752 18.102 ( 8.174 15.560 5.949) 18.556 18.437 ( 1.363 -14.006 8.155) 16.264 18.578 ( -12.152 -10.169 1.462) 15.913 ======================= Grid point 218 (37/50) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 0.000 -0.000) 0.000 1.006 ( 0.000 0.000 -0.000) 0.000 1.030 ( 0.000 0.000 0.000) 0.000 1.030 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 -0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 -0.000) 0.000 2.359 ( 0.000 -0.000 -0.000) 0.000 2.400 ( -0.000 0.000 0.000) 0.000 2.400 ( 0.000 0.000 0.000) 0.000 3.244 ( -0.000 -0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 -0.000) 0.000 3.525 ( 0.000 -0.000 0.000) 0.000 3.624 ( 0.000 -0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.892 ( -0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.305 ( 0.000 0.000 -0.000) 0.000 4.386 ( 0.000 -0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.466 ( -0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 -0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 -0.000 0.000) 0.000 5.212 ( 0.000 0.000 0.000) 0.000 5.412 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 -0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.439 ( 0.000 0.000 0.000) 0.000 6.705 ( -0.000 -0.000 0.000) 0.000 6.705 ( 0.000 -0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.650 ( 0.000 0.000 0.000) 0.000 7.650 ( 0.000 0.000 0.000) 0.000 8.789 ( 0.000 0.000 0.000) 0.000 8.951 ( -0.000 -0.000 0.000) 0.000 8.951 ( 0.000 0.000 0.000) 0.000 9.069 ( 0.000 -0.000 0.000) 0.000 9.069 ( -0.000 0.000 0.000) 0.000 9.248 ( -0.000 0.000 0.000) 0.000 9.343 ( 0.000 0.000 0.000) 0.000 9.343 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 9.847 ( 0.000 0.000 0.000) 0.000 9.847 ( 0.000 -0.000 0.000) 0.000 10.075 ( 0.000 0.000 0.000) 0.000 10.075 ( 0.000 0.000 0.000) 0.000 10.966 ( 0.000 0.000 0.000) 0.000 10.966 ( 0.000 -0.000 0.000) 0.000 11.217 ( 0.000 0.000 0.000) 0.000 11.234 ( 0.000 0.000 0.000) 0.000 11.234 ( 0.000 0.000 0.000) 0.000 11.293 ( 0.000 -0.000 0.000) 0.000 11.293 ( 0.000 -0.000 0.000) 0.000 11.540 ( 0.000 0.000 0.000) 0.000 11.540 ( 0.000 0.000 0.000) 0.000 11.620 ( 0.000 -0.000 0.000) 0.000 11.796 ( 0.000 0.000 0.000) 0.000 11.796 ( 0.000 0.000 0.000) 0.000 11.841 ( 0.000 0.000 0.000) 0.000 11.841 ( 0.000 -0.000 0.000) 0.000 11.991 ( 0.000 0.000 -0.000) 0.000 12.004 ( 0.000 -0.000 0.000) 0.000 12.746 ( -0.000 0.000 0.000) 0.000 13.034 ( 0.000 0.000 0.000) 0.000 15.843 ( 0.000 0.000 0.000) 0.000 16.021 ( 0.000 0.000 0.000) 0.000 16.441 ( 0.000 0.000 0.000) 0.000 16.649 ( 0.000 0.000 0.000) 0.000 16.649 ( 0.000 0.000 0.000) 0.000 16.998 ( 0.000 0.000 0.000) 0.000 16.998 ( 0.000 0.000 0.000) 0.000 17.144 ( 0.000 0.000 0.000) 0.000 17.144 ( 0.000 0.000 0.000) 0.000 19.385 ( -0.000 0.000 0.000) 0.000 19.672 ( 0.000 0.000 0.000) 0.000 19.696 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 220 (38/50) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 10.244 5.915 -22.038) 25.012 1.291 ( 22.759 13.140 19.041) 32.453 1.294 ( 16.492 9.521 22.124) 29.191 1.419 ( 21.299 12.297 -23.075) 33.724 2.255 ( 11.548 6.667 43.840) 45.823 2.296 ( 15.842 9.147 -41.695) 45.532 2.417 ( 4.812 2.778 -7.808) 9.583 2.463 ( 4.960 2.864 5.737) 8.106 2.529 ( 12.785 7.381 6.703) 16.213 2.572 ( 14.662 8.465 -4.680) 17.566 3.229 ( -0.325 -0.188 0.166) 0.410 3.448 ( 4.629 2.672 0.214) 5.349 3.459 ( 4.461 2.576 -6.260) 8.107 3.482 ( 5.786 3.340 5.622) 8.732 3.502 ( -1.881 -1.086 -0.096) 2.174 3.627 ( -3.528 -2.037 1.185) 4.242 3.643 ( 1.578 0.911 0.534) 1.898 3.706 ( -4.200 -2.425 -1.026) 4.957 3.981 ( 1.529 0.883 0.204) 1.777 4.086 ( 0.110 0.064 -0.215) 0.250 4.177 ( 1.996 1.153 -0.228) 2.316 4.219 ( -1.938 -1.119 0.077) 2.239 4.306 ( 0.560 0.323 0.032) 0.648 4.365 ( -1.644 -0.949 -1.306) 2.305 4.418 ( -0.296 -0.171 0.564) 0.659 4.440 ( -2.026 -1.169 1.643) 2.858 4.452 ( -1.788 -1.032 -0.373) 2.098 4.484 ( -2.889 -1.668 -0.245) 3.345 4.575 ( 4.165 2.405 -0.212) 4.814 4.794 ( -4.368 -2.522 -0.299) 5.053 4.840 ( -4.166 -2.405 0.051) 4.811 4.915 ( 0.052 0.030 0.223) 0.230 4.945 ( 1.490 0.860 -0.404) 1.767 5.313 ( -7.652 -4.418 0.147) 8.838 5.466 ( 8.621 4.977 7.043) 12.195 5.535 ( 5.159 2.978 -6.827) 9.061 6.108 ( 2.868 1.656 0.041) 3.312 6.334 ( -2.474 -1.428 -0.151) 2.861 6.378 ( 0.917 0.529 0.446) 1.149 6.424 ( 2.529 1.460 -0.441) 2.954 6.471 ( 2.729 1.576 0.235) 3.160 6.696 ( -0.708 -0.409 1.033) 1.317 6.727 ( 1.713 0.989 -0.901) 2.174 7.010 ( -1.576 -0.910 0.351) 1.854 7.014 ( -1.448 -0.836 -0.745) 1.830 7.664 ( 1.119 0.646 -0.006) 1.292 7.797 ( 9.537 5.506 -0.018) 11.013 8.764 ( -1.922 -1.109 1.428) 2.639 8.900 ( -3.314 -1.913 -2.563) 4.606 8.919 ( -1.896 -1.095 1.042) 2.425 9.106 ( 2.205 1.273 4.084) 4.813 9.135 ( 3.322 1.918 -4.347) 5.798 9.175 ( -4.644 -2.681 0.347) 5.373 9.311 ( -2.661 -1.536 -0.472) 3.109 9.335 ( -0.607 -0.350 0.308) 0.765 9.743 ( -2.804 -1.619 -0.121) 3.241 9.825 ( -1.916 -1.106 -1.604) 2.732 9.871 ( -0.185 -0.107 2.554) 2.563 10.023 ( -3.874 -2.236 -0.368) 4.488 10.047 ( -2.065 -1.192 0.175) 2.390 10.497 ( -24.663 -14.239 0.450) 28.482 10.960 ( -0.344 -0.198 0.794) 0.888 11.040 ( -10.693 -6.174 0.633) 12.363 11.149 ( -7.926 -4.576 -4.233) 10.084 11.234 ( -0.236 -0.136 0.100) 0.290 11.291 ( 0.066 0.038 1.192) 1.194 11.463 ( 7.762 4.482 0.964) 9.015 11.542 ( 0.091 0.053 0.675) 0.683 11.592 ( 3.147 1.817 -0.217) 3.640 11.672 ( 4.652 2.686 -1.142) 5.491 11.743 ( -1.692 -0.977 -1.154) 2.269 11.756 ( -1.125 -0.649 -7.225) 7.341 11.825 ( -0.243 -0.140 4.592) 4.601 11.919 ( 4.159 2.401 4.910) 6.868 11.991 ( 1.535 0.886 1.631) 2.408 12.182 ( 9.566 5.523 -2.007) 11.227 12.749 ( 1.217 0.703 0.642) 1.545 12.929 ( -5.569 -3.215 -0.239) 6.435 15.832 ( -0.801 -0.463 0.021) 0.925 16.005 ( -1.303 -0.753 -0.007) 1.505 16.396 ( -2.118 -1.223 -0.016) 2.446 16.649 ( 0.070 0.040 0.102) 0.131 16.974 ( 18.339 10.588 -3.254) 21.424 17.007 ( 0.720 0.416 -0.335) 0.896 17.119 ( 9.713 5.608 1.183) 11.278 17.158 ( 1.124 0.649 0.227) 1.317 17.242 ( 5.223 3.015 0.097) 6.032 19.283 ( -7.774 -4.488 0.072) 8.977 19.529 ( -12.105 -6.989 0.774) 13.999 19.562 ( -8.200 -4.734 0.417) 9.478 ======================= Grid point 222 (39/50) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 17.283 9.978 -13.374) 24.023 1.736 ( 19.577 11.303 15.751) 27.552 1.832 ( 15.712 9.071 -23.161) 29.421 1.852 ( 19.727 11.389 14.029) 26.752 2.574 ( 7.842 4.528 -5.563) 10.627 2.615 ( 7.517 4.340 1.926) 8.892 2.652 ( 20.667 11.932 25.748) 35.106 2.816 ( 21.246 12.266 -7.462) 25.642 2.953 ( 24.496 14.143 -16.514) 32.754 3.037 ( 22.874 13.206 6.154) 27.120 3.240 ( 1.061 0.612 -0.192) 1.240 3.407 ( -6.533 -3.772 -0.387) 7.554 3.444 ( -2.139 -1.235 0.401) 2.502 3.561 ( 3.949 2.280 -4.386) 6.327 3.611 ( 4.466 2.578 1.054) 5.263 3.645 ( 5.408 3.122 4.299) 7.581 3.706 ( 4.333 2.502 0.826) 5.071 3.780 ( 5.547 3.202 -1.043) 6.489 3.976 ( -1.755 -1.013 1.189) 2.349 4.120 ( 1.572 0.908 -0.533) 1.892 4.182 ( 0.492 0.284 1.474) 1.580 4.208 ( -1.294 -0.747 -1.109) 1.860 4.333 ( 0.480 0.277 0.211) 0.593 4.344 ( 1.359 0.785 -1.878) 2.447 4.369 ( -3.579 -2.066 -0.543) 4.169 4.391 ( -2.632 -1.520 -0.307) 3.054 4.395 ( -0.193 -0.112 -1.525) 1.541 4.423 ( -1.902 -1.098 1.598) 2.716 4.645 ( 0.831 0.480 1.868) 2.100 4.719 ( -2.027 -1.170 -1.640) 2.858 4.785 ( -0.619 -0.358 0.181) 0.738 4.907 ( -0.763 -0.441 0.351) 0.949 4.978 ( 1.008 0.582 -0.627) 1.322 5.106 ( -8.189 -4.728 -1.165) 9.527 5.503 ( -2.287 -1.320 10.673) 10.995 5.653 ( 1.931 1.115 -8.282) 8.577 6.200 ( 3.831 2.212 0.798) 4.495 6.256 ( -3.164 -1.827 -0.776) 3.735 6.404 ( 1.115 0.644 0.506) 1.383 6.499 ( 3.358 1.939 -0.201) 3.882 6.565 ( 4.862 2.807 -0.030) 5.614 6.679 ( -0.191 -0.110 1.368) 1.386 6.771 ( 1.523 0.879 -0.327) 1.788 6.965 ( -2.540 -1.467 -1.057) 3.118 6.973 ( -1.008 -0.582 -1.188) 1.663 7.700 ( 1.772 1.023 -0.015) 2.047 7.964 ( 2.830 1.634 0.179) 3.273 8.698 ( -3.926 -2.267 3.765) 5.892 8.816 ( -3.543 -2.046 -2.461) 4.774 8.859 ( -3.342 -1.929 -0.022) 3.859 9.020 ( -6.313 -3.645 -0.593) 7.314 9.147 ( 0.739 0.427 6.299) 6.357 9.219 ( -4.766 -2.752 -1.959) 5.842 9.223 ( 1.763 1.018 -7.608) 7.875 9.321 ( -0.385 -0.222 2.105) 2.152 9.632 ( -7.501 -4.331 3.686) 9.414 9.698 ( -10.647 -6.147 2.226) 12.494 9.753 ( -4.099 -2.367 -2.199) 5.219 9.964 ( -1.492 -0.862 -3.629) 4.018 9.999 ( -1.630 -0.941 -0.494) 1.946 10.116 ( -7.683 -4.436 3.007) 9.367 10.842 ( -9.766 -5.638 4.069) 11.988 10.931 ( -3.356 -1.937 -10.237) 10.946 10.958 ( 0.251 0.145 1.700) 1.724 11.215 ( -1.168 -0.674 -0.953) 1.651 11.301 ( 0.595 0.344 2.941) 3.021 11.544 ( 0.059 0.034 1.056) 1.058 11.610 ( 1.260 0.728 3.244) 3.555 11.674 ( 1.920 1.109 -6.019) 6.415 11.689 ( 2.461 1.421 10.248) 10.635 11.756 ( 0.945 0.546 -8.552) 8.621 11.810 ( 5.762 3.327 -5.894) 8.889 11.909 ( 6.570 3.793 -0.105) 7.588 12.012 ( 3.443 1.988 4.697) 6.154 12.095 ( 6.907 3.988 4.715) 9.265 12.385 ( 7.673 4.430 -2.564) 9.223 12.813 ( 3.807 2.198 1.526) 4.654 12.870 ( 0.963 0.556 -0.074) 1.114 15.809 ( -1.051 -0.607 0.098) 1.218 15.962 ( -2.250 -1.299 -0.064) 2.599 16.343 ( -2.359 -1.362 0.062) 2.724 16.652 ( 0.196 0.113 0.230) 0.323 17.031 ( 1.276 0.737 -0.656) 1.613 17.192 ( 1.662 0.960 0.423) 1.965 17.216 ( -0.671 -0.388 -4.977) 5.037 17.363 ( 7.000 4.041 -2.757) 8.540 17.423 ( 14.168 8.180 3.490) 16.728 19.025 ( -14.113 -8.148 -2.516) 16.489 19.186 ( -15.538 -8.971 1.012) 17.970 19.389 ( -4.797 -2.770 4.244) 6.978 ======================= Grid point 224 (40/50) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 17.952 10.364 -7.480) 22.037 2.142 ( 12.181 7.033 -22.714) 26.717 2.188 ( 17.814 10.285 10.454) 23.074 2.295 ( 16.839 9.722 17.673) 26.276 2.746 ( 5.937 3.428 2.120) 7.176 2.819 ( 9.191 5.306 -5.549) 11.976 3.087 ( 11.350 6.553 5.121) 14.071 3.150 ( 3.267 1.886 -0.948) 3.890 3.270 ( 1.335 0.771 -1.780) 2.354 3.285 ( 0.624 0.360 -0.472) 0.861 3.453 ( 7.945 4.587 8.432) 12.461 3.535 ( 17.830 10.294 7.408) 21.880 3.606 ( -0.862 -0.498 -0.363) 1.060 3.630 ( 19.871 11.472 -10.275) 25.140 3.705 ( 0.237 0.137 0.276) 0.388 3.729 ( 6.917 3.994 -2.238) 8.295 3.801 ( 2.176 1.256 1.078) 2.734 3.930 ( -1.983 -1.145 2.157) 3.146 3.946 ( 11.505 6.642 -4.749) 14.108 4.114 ( -3.498 -2.020 -0.314) 4.051 4.126 ( -1.313 -0.758 0.682) 1.662 4.205 ( -7.341 -4.238 0.304) 8.482 4.278 ( 1.473 0.851 0.965) 1.956 4.323 ( 1.231 0.711 0.253) 1.444 4.353 ( 2.635 1.522 0.676) 3.117 4.400 ( 0.914 0.528 0.240) 1.083 4.451 ( 6.006 3.467 -2.417) 7.344 4.498 ( 4.633 2.675 -0.584) 5.381 4.606 ( -3.398 -1.962 2.637) 4.727 4.703 ( 0.991 0.572 -0.940) 1.481 4.801 ( 2.595 1.498 -2.955) 4.208 4.881 ( -1.287 -0.743 0.196) 1.499 4.976 ( -2.895 -1.672 -2.458) 4.149 4.988 ( -0.098 -0.056 -0.587) 0.597 5.401 ( -5.681 -3.280 10.148) 12.084 5.633 ( -3.126 -1.805 -5.580) 6.646 6.129 ( -5.119 -2.955 0.656) 5.947 6.337 ( 5.097 2.943 -0.411) 5.900 6.425 ( 0.670 0.387 0.297) 0.829 6.543 ( -0.155 -0.090 1.553) 1.564 6.680 ( 4.438 2.563 -2.568) 5.733 6.730 ( 4.619 2.667 1.831) 5.639 6.773 ( -1.445 -0.834 0.339) 1.703 6.902 ( -2.489 -1.437 -0.709) 2.960 6.984 ( 1.882 1.087 -2.277) 3.148 7.743 ( 1.785 1.031 -0.019) 2.062 7.927 ( -4.965 -2.867 0.794) 5.788 8.567 ( -6.756 -3.900 2.067) 8.070 8.740 ( -2.690 -1.553 -2.083) 3.740 8.763 ( -4.463 -2.577 1.032) 5.255 8.882 ( -5.544 -3.201 -0.075) 6.402 9.060 ( -6.745 -3.894 2.290) 8.118 9.170 ( -0.371 -0.214 1.836) 1.885 9.224 ( -0.834 -0.482 -6.075) 6.151 9.289 ( -2.947 -1.701 -0.630) 3.460 9.436 ( -5.426 -3.133 7.563) 9.821 9.554 ( -3.063 -1.768 -0.377) 3.556 9.646 ( -4.401 -2.541 -1.728) 5.368 9.924 ( -7.149 -4.127 0.110) 8.256 9.972 ( -0.520 -0.300 -2.911) 2.973 9.975 ( -0.426 -0.246 -1.336) 1.423 10.632 ( -5.625 -3.247 1.991) 6.793 10.973 ( 0.951 0.549 2.132) 2.398 10.993 ( 5.735 3.311 -5.405) 8.548 11.192 ( -0.598 -0.345 -1.239) 1.419 11.311 ( 0.176 0.101 2.987) 2.993 11.542 ( -0.207 -0.119 1.011) 1.039 11.587 ( -2.300 -1.328 0.233) 2.666 11.614 ( -2.378 -1.373 5.164) 5.849 11.790 ( 1.724 0.996 -7.945) 8.191 11.849 ( 5.034 2.906 -0.062) 5.813 11.953 ( 6.136 3.543 -4.602) 8.449 12.068 ( 6.175 3.565 0.323) 7.137 12.077 ( 2.019 1.166 4.115) 4.730 12.274 ( 6.974 4.027 3.969) 8.978 12.586 ( 9.932 5.734 -2.798) 11.804 12.885 ( 2.176 1.256 -3.546) 4.346 12.976 ( 6.617 3.821 5.730) 9.551 15.785 ( -0.927 -0.535 0.170) 1.084 15.903 ( -2.538 -1.465 -0.158) 2.935 16.288 ( -2.088 -1.206 0.234) 2.423 16.658 ( 0.284 0.164 0.299) 0.444 17.064 ( 1.380 0.797 -0.785) 1.776 17.099 ( -7.064 -4.078 -5.249) 9.700 17.231 ( 1.515 0.874 0.492) 1.817 17.463 ( 1.449 0.836 -1.809) 2.464 17.765 ( 13.894 8.022 6.439) 17.287 18.620 ( -18.701 -10.797 -3.115) 21.818 18.857 ( -11.785 -6.804 -3.928) 14.164 19.325 ( -1.304 -0.753 6.131) 6.313 ======================= Grid point 226 (41/50) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 14.191 8.193 -3.753) 16.810 2.414 ( 10.182 5.878 -14.561) 18.715 2.554 ( 12.061 6.964 5.456) 14.958 2.665 ( 14.068 8.122 13.246) 20.961 2.846 ( 2.469 1.426 0.853) 2.976 2.994 ( 3.809 2.199 -0.535) 4.431 3.053 ( -6.054 -3.495 0.487) 7.007 3.155 ( -2.748 -1.586 0.175) 3.177 3.310 ( 2.520 1.455 -5.177) 5.939 3.374 ( 3.642 2.103 -5.311) 6.775 3.536 ( -3.296 -1.903 1.876) 4.243 3.569 ( -1.521 -0.878 9.751) 9.908 3.663 ( -3.573 -2.063 -1.288) 4.322 3.756 ( 2.891 1.669 1.274) 3.574 3.826 ( 0.294 0.170 0.724) 0.800 3.885 ( 7.061 4.077 -6.857) 10.654 3.896 ( -0.519 -0.300 2.428) 2.501 4.023 ( -1.309 -0.756 0.344) 1.550 4.042 ( -4.610 -2.662 0.278) 5.330 4.057 ( 11.560 6.674 2.349) 13.554 4.096 ( -0.190 -0.110 3.357) 3.364 4.259 ( 0.403 0.233 0.298) 0.553 4.358 ( 14.908 8.607 -5.343) 18.025 4.400 ( 3.110 1.796 0.957) 3.717 4.455 ( 0.689 0.398 3.264) 3.360 4.480 ( 5.111 2.951 1.215) 6.025 4.515 ( -0.313 -0.181 -0.034) 0.363 4.580 ( 4.007 2.314 -3.175) 5.612 4.599 ( 3.921 2.264 -1.379) 4.733 4.787 ( 5.677 3.277 -3.733) 7.543 4.853 ( -0.929 -0.536 -0.042) 1.073 4.884 ( 0.251 0.145 -3.677) 3.688 4.949 ( 2.726 1.574 -0.097) 3.150 4.979 ( -0.498 -0.287 -0.337) 0.666 5.257 ( -6.150 -3.551 9.394) 11.776 5.528 ( -4.929 -2.846 -3.537) 6.701 6.016 ( -3.909 -2.257 0.543) 4.546 6.434 ( 2.804 1.619 -0.361) 3.258 6.438 ( 0.437 0.252 0.171) 0.533 6.521 ( -1.078 -0.622 1.212) 1.738 6.724 ( -2.163 -1.249 -0.182) 2.505 6.770 ( 2.608 1.506 -1.919) 3.571 6.826 ( 1.646 0.950 0.500) 1.966 6.878 ( 1.736 1.003 0.440) 2.053 7.038 ( 2.090 1.206 -1.104) 2.653 7.780 ( 1.151 0.665 -0.013) 1.329 7.790 ( -5.287 -3.053 0.871) 6.167 8.412 ( -5.428 -3.134 0.517) 6.289 8.662 ( -3.692 -2.132 1.836) 4.642 8.697 ( -0.770 -0.444 -1.521) 1.762 8.756 ( -4.356 -2.515 -2.089) 5.447 8.901 ( -5.943 -3.431 1.145) 6.957 9.155 ( -0.702 -0.405 1.669) 1.856 9.208 ( -0.383 -0.221 3.186) 3.216 9.227 ( -1.618 -0.934 -5.198) 5.523 9.354 ( -2.013 -1.162 3.324) 4.056 9.519 ( -0.445 -0.257 2.108) 2.169 9.559 ( -2.693 -1.555 -0.911) 3.241 9.720 ( -7.449 -4.300 -1.211) 8.686 9.973 ( 0.115 0.067 -1.108) 1.116 10.015 ( 2.203 1.272 -3.810) 4.581 10.558 ( -1.435 -0.828 2.583) 3.069 10.997 ( 0.860 0.496 1.527) 1.821 11.142 ( 5.945 3.432 -3.140) 7.549 11.188 ( 0.217 0.125 -1.049) 1.079 11.309 ( -0.319 -0.184 2.015) 2.048 11.517 ( -3.283 -1.896 -0.926) 3.903 11.535 ( -0.317 -0.183 0.544) 0.656 11.571 ( -1.187 -0.685 4.128) 4.350 11.829 ( 1.299 0.750 -4.927) 5.150 11.926 ( 1.875 1.083 -1.792) 2.811 12.075 ( 3.723 2.149 -0.983) 4.409 12.109 ( 0.758 0.437 2.619) 2.761 12.175 ( 2.580 1.489 0.457) 3.014 12.417 ( 5.016 2.896 2.759) 6.416 12.818 ( 7.257 4.190 -3.982) 9.278 12.938 ( 3.202 1.849 -1.862) 4.140 13.113 ( 3.985 2.301 4.964) 6.768 15.769 ( -0.349 -0.202 0.180) 0.442 15.849 ( -1.888 -1.090 -0.202) 2.189 16.248 ( -1.185 -0.684 0.258) 1.393 16.665 ( 0.215 0.124 0.215) 0.329 16.937 ( -5.596 -3.231 -3.822) 7.508 17.092 ( 0.897 0.518 -0.548) 1.172 17.260 ( 0.874 0.505 0.341) 1.066 17.473 ( 0.226 0.130 -0.178) 0.316 18.054 ( 8.098 4.675 14.499) 17.253 18.228 ( -10.450 -6.033 -9.065) 15.092 18.606 ( -9.652 -5.573 -6.363) 12.834 19.308 ( -0.331 -0.191 3.888) 3.906 ======================= Grid point 228 (42/50) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 0.000 0.000 0.000) 0.000 2.562 ( 0.000 0.000 0.000) 0.000 2.700 ( 0.000 0.000 -0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 -0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 3.002 ( 0.000 0.000 -0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.443 ( -0.000 -0.000 0.000) 0.000 3.482 ( 0.000 0.000 -0.000) 0.000 3.547 ( -0.000 -0.000 -0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 3.974 ( -0.000 -0.000 0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 -0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.152 ( -0.000 -0.000 0.000) 0.000 4.365 ( 0.000 0.000 -0.000) 0.000 4.377 ( -0.000 -0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 -0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.625 ( 0.000 0.000 -0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 4.841 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.029 ( 0.000 0.000 -0.000) 0.000 5.142 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.966 ( -0.000 -0.000 0.000) 0.000 6.444 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 -0.000) 0.000 6.506 ( 0.000 0.000 0.000) 0.000 6.694 ( 0.000 0.000 0.000) 0.000 6.794 ( -0.000 -0.000 0.000) 0.000 6.842 ( 0.000 0.000 0.000) 0.000 6.917 ( 0.000 0.000 0.000) 0.000 7.065 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 7.794 ( 0.000 0.000 0.000) 0.000 8.342 ( 0.000 0.000 0.000) 0.000 8.611 ( 0.000 0.000 -0.000) 0.000 8.695 ( 0.000 0.000 0.000) 0.000 8.702 ( 0.000 0.000 0.000) 0.000 8.817 ( 0.000 0.000 0.000) 0.000 9.145 ( 0.000 0.000 -0.000) 0.000 9.203 ( 0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 -0.000) 0.000 9.333 ( 0.000 0.000 -0.000) 0.000 9.519 ( 0.000 0.000 0.000) 0.000 9.526 ( 0.000 0.000 0.000) 0.000 9.621 ( 0.000 0.000 0.000) 0.000 9.975 ( 0.000 0.000 0.000) 0.000 10.045 ( 0.000 0.000 0.000) 0.000 10.543 ( 0.000 0.000 -0.000) 0.000 11.008 ( 0.000 0.000 0.000) 0.000 11.193 ( 0.000 0.000 0.000) 0.000 11.228 ( 0.000 0.000 -0.000) 0.000 11.303 ( 0.000 0.000 -0.000) 0.000 11.464 ( 0.000 0.000 0.000) 0.000 11.531 ( 0.000 0.000 0.000) 0.000 11.557 ( 0.000 0.000 0.000) 0.000 11.845 ( 0.000 0.000 0.000) 0.000 11.947 ( 0.000 0.000 0.000) 0.000 12.117 ( 0.000 0.000 0.000) 0.000 12.121 ( 0.000 0.000 0.000) 0.000 12.202 ( 0.000 0.000 -0.000) 0.000 12.484 ( 0.000 0.000 -0.000) 0.000 12.883 ( 0.000 0.000 0.000) 0.000 13.017 ( 0.000 0.000 0.000) 0.000 13.153 ( 0.000 0.000 0.000) 0.000 15.766 ( 0.000 0.000 0.000) 0.000 15.824 ( 0.000 0.000 0.000) 0.000 16.234 ( 0.000 0.000 0.000) 0.000 16.667 ( 0.000 0.000 0.000) 0.000 16.866 ( 0.000 0.000 0.000) 0.000 17.103 ( 0.000 0.000 0.000) 0.000 17.271 ( 0.000 0.000 -0.000) 0.000 17.481 ( 0.000 0.000 0.000) 0.000 18.003 ( 0.000 0.000 0.000) 0.000 18.305 ( -0.000 -0.000 -0.000) 0.000 18.423 ( 0.000 0.000 0.000) 0.000 19.304 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 242 (43/50) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 10.526 18.232 -0.000) 21.053 1.467 ( 11.669 20.211 0.000) 23.338 1.732 ( 10.120 17.528 0.000) 20.240 1.751 ( 10.970 19.000 -0.000) 21.939 2.519 ( 6.972 12.075 -0.000) 13.943 2.526 ( 6.385 11.059 0.000) 12.770 2.627 ( 10.436 18.076 -0.000) 20.872 2.661 ( 11.824 20.480 0.000) 23.648 2.795 ( 9.523 16.495 0.000) 19.047 2.871 ( 12.468 21.595 0.000) 24.936 3.238 ( 0.606 1.049 0.000) 1.212 3.447 ( -1.855 -3.213 0.000) 3.710 3.464 ( -3.964 -6.866 0.000) 7.928 3.511 ( 1.637 2.836 0.000) 3.274 3.577 ( 3.551 6.150 0.000) 7.102 3.624 ( 4.430 7.673 -0.000) 8.861 3.713 ( 1.429 2.474 0.000) 2.857 3.732 ( 3.663 6.344 0.000) 7.325 4.020 ( 0.997 1.727 0.000) 1.994 4.056 ( -1.017 -1.762 0.000) 2.034 4.193 ( -0.157 -0.271 0.000) 0.313 4.206 ( -0.444 -0.768 0.000) 0.887 4.312 ( -0.002 -0.004 0.000) 0.004 4.342 ( -2.421 -4.194 -0.000) 4.843 4.378 ( 1.166 2.019 0.000) 2.332 4.397 ( -1.384 -2.397 -0.000) 2.768 4.420 ( -1.294 -2.241 0.000) 2.588 4.468 ( -0.599 -1.037 0.000) 1.198 4.628 ( 1.142 1.978 0.000) 2.284 4.741 ( -1.315 -2.278 0.000) 2.631 4.760 ( -2.051 -3.552 -0.000) 4.101 4.938 ( 0.939 1.626 0.000) 1.878 4.968 ( 0.592 1.026 0.000) 1.184 5.162 ( -5.181 -8.974 0.000) 10.362 5.559 ( 0.248 0.430 0.000) 0.496 5.575 ( 0.686 1.188 0.000) 1.372 6.174 ( 2.634 4.562 0.000) 5.268 6.293 ( -1.691 -2.928 0.000) 3.381 6.378 ( 0.010 0.018 0.000) 0.021 6.480 ( 2.102 3.640 0.000) 4.204 6.540 ( 2.808 4.864 0.000) 5.617 6.675 ( -0.815 -1.411 0.000) 1.630 6.768 ( 1.565 2.711 0.000) 3.131 6.970 ( -1.429 -2.475 0.000) 2.858 6.991 ( -0.845 -1.464 -0.000) 1.691 7.682 ( 0.687 1.190 0.000) 1.374 7.949 ( 3.791 6.566 0.000) 7.582 8.716 ( -2.131 -3.690 0.000) 4.261 8.853 ( -2.021 -3.501 0.000) 4.043 8.869 ( -1.357 -2.350 0.000) 2.713 9.058 ( -3.894 -6.745 0.000) 7.788 9.145 ( 0.723 1.252 -0.000) 1.445 9.200 ( 1.248 2.161 0.000) 2.495 9.264 ( -1.703 -2.950 0.000) 3.407 9.310 ( -0.883 -1.530 -0.000) 1.767 9.669 ( -3.166 -5.484 0.000) 6.332 9.767 ( -5.707 -9.885 -0.000) 11.414 9.809 ( -0.753 -1.304 0.000) 1.506 9.923 ( -3.167 -5.485 0.000) 6.333 10.064 ( 0.230 0.398 0.000) 0.459 10.157 ( -6.805 -11.787 0.000) 13.610 10.864 ( -2.589 -4.484 0.000) 5.178 10.908 ( -7.579 -13.127 0.000) 15.158 11.037 ( 0.262 0.453 -0.000) 0.523 11.266 ( 0.442 0.765 0.000) 0.883 11.283 ( -0.112 -0.195 0.000) 0.225 11.525 ( 0.492 0.852 0.000) 0.984 11.601 ( 3.149 5.454 -0.000) 6.298 11.634 ( 0.926 1.603 0.000) 1.851 11.696 ( -0.607 -1.051 -0.000) 1.213 11.767 ( 3.184 5.515 0.000) 6.368 11.796 ( 1.732 3.000 0.000) 3.464 11.890 ( 2.893 5.011 0.000) 5.786 11.910 ( -0.041 -0.071 -0.000) 0.082 12.062 ( 3.468 6.007 0.000) 6.936 12.349 ( 4.952 8.578 0.000) 9.905 12.785 ( 1.596 2.764 0.000) 3.192 12.867 ( -0.702 -1.216 0.000) 1.404 15.816 ( -0.590 -1.022 0.000) 1.180 15.975 ( -1.211 -2.097 0.000) 2.421 16.357 ( -1.342 -2.325 0.000) 2.685 16.677 ( 1.092 1.891 0.000) 2.184 17.053 ( 1.865 3.231 0.000) 3.731 17.100 ( 1.038 1.797 0.000) 2.075 17.273 ( 6.138 10.631 0.000) 12.276 17.277 ( -0.084 -0.146 -0.000) 0.169 17.343 ( 6.620 11.466 0.000) 13.240 19.114 ( -7.125 -12.341 0.000) 14.250 19.330 ( -6.609 -11.447 -0.000) 13.218 19.374 ( -6.116 -10.593 0.000) 12.232 ======================= Grid point 244 (44/50) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 8.720 21.304 -7.585) 24.237 1.965 ( 17.138 13.674 0.642) 21.933 2.084 ( 11.497 14.737 -10.611) 21.493 2.125 ( 13.648 13.405 15.560) 24.659 2.729 ( 5.214 10.043 0.354) 11.321 2.776 ( 7.341 11.968 -2.703) 14.298 2.993 ( 9.040 15.342 7.505) 19.324 3.057 ( 10.257 9.155 -0.027) 13.748 3.245 ( 4.324 3.490 -0.494) 5.579 3.292 ( 10.985 12.443 -0.811) 16.618 3.365 ( 2.046 4.138 1.322) 4.802 3.389 ( 1.675 -2.616 1.596) 3.492 3.405 ( 19.053 19.577 -5.012) 27.774 3.576 ( 4.899 -0.591 -2.073) 5.353 3.695 ( 1.196 6.896 0.568) 7.022 3.757 ( 0.679 4.656 1.036) 4.817 3.794 ( 3.381 5.743 0.528) 6.685 3.877 ( 3.821 6.247 -0.582) 7.346 3.978 ( -3.112 0.868 0.921) 3.360 4.082 ( 3.121 -3.958 -0.113) 5.041 4.159 ( -2.360 -1.519 -0.492) 2.849 4.201 ( 1.210 -2.908 0.439) 3.180 4.263 ( -0.424 -0.452 -0.933) 1.120 4.301 ( 0.800 -4.131 0.356) 4.223 4.334 ( -2.502 -2.710 -0.509) 3.723 4.389 ( 1.189 1.952 -0.416) 2.323 4.417 ( -1.304 -0.734 0.921) 1.757 4.507 ( 2.491 8.018 -0.742) 8.429 4.633 ( -0.488 -1.745 0.550) 1.894 4.702 ( -0.818 -0.378 -1.056) 1.389 4.738 ( 2.228 -1.261 0.710) 2.657 4.955 ( -2.312 2.708 -0.950) 3.686 4.974 ( -2.375 -2.272 0.224) 3.294 5.011 ( -0.632 -2.215 -1.095) 2.550 5.464 ( -6.773 -3.402 8.682) 11.525 5.582 ( 2.271 -7.286 -6.602) 10.092 6.203 ( -4.960 -1.796 0.588) 5.308 6.287 ( 4.253 4.053 -0.567) 5.902 6.388 ( 1.776 -1.537 0.262) 2.363 6.552 ( 0.946 2.858 0.705) 3.092 6.634 ( 1.740 0.087 -1.070) 2.045 6.676 ( 3.610 3.316 0.720) 4.954 6.812 ( -0.509 2.293 0.531) 2.408 6.918 ( -1.542 -2.565 -0.588) 3.050 6.970 ( 0.337 0.237 -1.275) 1.340 7.717 ( 1.820 1.124 0.008) 2.140 8.000 ( -2.693 0.863 0.242) 2.838 8.604 ( -4.303 -6.719 1.279) 8.081 8.775 ( -2.869 -2.350 -0.014) 3.709 8.814 ( -2.818 -1.733 -0.292) 3.321 8.917 ( -4.232 -5.943 -0.524) 7.314 9.130 ( -3.595 -2.593 5.509) 7.071 9.154 ( -1.213 -3.365 -2.084) 4.139 9.241 ( -1.311 0.127 -5.854) 6.001 9.291 ( 0.287 -2.205 1.151) 2.504 9.518 ( -6.874 -4.719 5.241) 9.848 9.580 ( -3.314 -4.895 -1.322) 6.058 9.748 ( -6.017 0.990 -0.934) 6.169 9.848 ( 0.527 -5.206 -1.581) 5.467 9.954 ( -1.064 -7.815 0.143) 7.888 10.114 ( -3.637 4.561 -0.117) 5.835 10.649 ( -5.702 -10.801 0.433) 12.222 10.834 ( 3.867 -4.259 -1.490) 5.943 11.051 ( -0.898 3.791 -0.520) 3.930 11.243 ( -3.206 2.604 -0.193) 4.135 11.308 ( 1.514 0.570 1.384) 2.129 11.535 ( 0.240 -0.545 1.642) 1.746 11.641 ( -1.971 2.309 2.309) 3.815 11.672 ( -0.890 2.140 -3.301) 4.034 11.750 ( 5.143 2.835 4.996) 7.710 11.837 ( 0.323 4.649 -4.793) 6.685 11.891 ( 4.282 4.069 -6.052) 8.456 11.945 ( 5.442 -3.733 2.410) 7.026 12.027 ( 3.827 7.286 -1.590) 8.382 12.229 ( 7.669 5.747 6.960) 11.844 12.510 ( 4.685 6.932 -2.900) 8.855 12.855 ( 2.671 1.954 -2.263) 4.009 12.897 ( 3.853 1.619 3.443) 5.415 15.793 ( -0.780 -0.939 0.082) 1.224 15.923 ( -1.898 -2.381 -0.070) 3.046 16.306 ( -1.721 -2.095 0.095) 2.713 16.711 ( -1.123 4.729 0.428) 4.879 17.084 ( -1.889 3.152 -0.857) 3.774 17.181 ( 5.218 0.866 -2.750) 5.962 17.213 ( -5.349 -0.024 -0.124) 5.351 17.432 ( 3.233 2.233 -1.484) 4.200 17.599 ( 11.324 7.537 3.463) 14.037 18.769 ( -13.625 -16.451 -1.754) 21.433 19.037 ( -14.466 -5.032 -2.872) 15.583 19.250 ( 2.556 -10.167 5.112) 11.663 ======================= Grid point 246 (45/50) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 10.603 16.068 -5.435) 20.004 2.324 ( 9.398 12.957 -12.286) 20.178 2.447 ( 11.713 13.020 6.447) 18.662 2.524 ( 14.412 13.169 10.751) 22.287 2.892 ( 0.647 10.015 2.100) 10.253 2.995 ( 2.854 8.608 -3.826) 9.843 3.120 ( -2.355 0.154 -0.412) 2.395 3.170 ( -0.040 0.368 1.360) 1.410 3.308 ( 0.236 2.502 -3.870) 4.615 3.334 ( 1.874 2.910 -1.947) 3.971 3.470 ( 6.133 -0.952 8.425) 10.464 3.592 ( 2.801 -0.957 -1.380) 3.266 3.730 ( -2.947 5.212 5.946) 8.438 3.737 ( 0.046 1.555 1.224) 1.979 3.776 ( 6.760 3.596 -3.606) 8.464 3.829 ( 4.882 4.619 -3.911) 7.776 3.894 ( -0.520 1.018 1.081) 1.573 3.975 ( 6.444 10.860 5.018) 13.589 4.036 ( -0.616 -3.783 -0.139) 3.836 4.094 ( -1.617 -1.770 0.250) 2.410 4.125 ( -1.135 1.226 -0.757) 1.834 4.168 ( 11.469 7.589 -4.146) 14.363 4.261 ( 0.761 0.895 -2.394) 2.667 4.328 ( 3.720 -1.683 0.401) 4.103 4.395 ( 8.385 1.613 1.308) 8.639 4.434 ( 2.448 2.169 1.279) 3.512 4.463 ( 2.867 3.288 0.252) 4.370 4.565 ( 0.038 -0.762 -1.208) 1.428 4.631 ( -0.683 4.657 -0.563) 4.740 4.723 ( 2.969 1.346 -1.321) 3.518 4.825 ( 5.645 2.325 -1.081) 6.200 4.881 ( -2.076 -3.236 -0.833) 3.934 4.933 ( -1.691 1.069 -2.089) 2.893 5.027 ( -0.735 2.141 0.202) 2.272 5.287 ( -5.533 -8.016 8.117) 12.679 5.509 ( -0.598 -9.205 -3.964) 10.040 6.090 ( -5.539 -0.989 0.505) 5.649 6.389 ( 3.114 -0.251 -0.577) 3.177 6.412 ( 2.580 1.092 0.458) 2.838 6.544 ( -2.043 -0.076 1.383) 2.468 6.680 ( 3.568 -1.460 -1.374) 4.093 6.787 ( 0.612 2.273 -1.508) 2.795 6.802 ( 0.929 1.696 1.489) 2.440 6.865 ( -1.081 -1.903 0.228) 2.201 7.015 ( 2.277 1.945 -1.334) 3.278 7.763 ( 1.316 1.748 -0.030) 2.188 7.907 ( -6.711 0.451 0.674) 6.760 8.447 ( -4.439 -7.004 0.731) 8.325 8.699 ( -3.530 -2.108 1.032) 4.239 8.744 ( -2.527 -1.018 -0.421) 2.756 8.793 ( -4.148 -2.424 -2.755) 5.538 9.002 ( -6.677 -2.040 3.208) 7.683 9.122 ( 1.169 -3.833 5.340) 6.677 9.203 ( -1.278 -2.412 -7.349) 7.840 9.262 ( -1.007 -0.567 -3.178) 3.381 9.388 ( -4.371 -1.421 5.565) 7.218 9.522 ( -0.846 -1.138 2.704) 3.053 9.648 ( -5.992 1.996 -0.638) 6.347 9.768 ( -4.016 -6.704 -0.744) 7.850 9.898 ( 2.299 -4.769 -2.661) 5.926 10.088 ( -3.418 5.444 -2.711) 6.976 10.513 ( 0.302 -7.528 2.242) 7.861 10.882 ( 7.589 -7.868 -0.706) 10.955 11.082 ( -0.610 3.991 0.509) 4.069 11.235 ( -0.348 2.214 0.850) 2.396 11.341 ( 0.238 3.271 -1.813) 3.748 11.522 ( -1.314 -0.026 5.319) 5.479 11.610 ( -4.560 3.369 -1.874) 5.971 11.674 ( -3.414 6.188 0.468) 7.083 11.840 ( 1.392 3.271 -2.874) 4.571 11.895 ( 1.750 1.338 -1.241) 2.528 12.004 ( 6.748 -3.547 -1.261) 7.727 12.025 ( 4.687 2.694 -1.863) 5.718 12.139 ( 2.526 2.941 0.691) 3.938 12.404 ( 4.643 5.070 7.412) 10.110 12.689 ( 8.912 4.113 -5.243) 11.128 12.902 ( 1.631 0.207 -3.692) 4.042 13.011 ( 6.862 -0.856 5.895) 9.087 15.772 ( -0.497 -0.633 0.149) 0.819 15.865 ( -1.804 -2.165 -0.163) 2.823 16.259 ( -1.274 -1.565 0.209) 2.029 16.739 ( -2.282 6.910 0.980) 7.343 17.013 ( -6.387 -1.768 -6.571) 9.333 17.164 ( -2.748 5.437 4.908) 7.824 17.276 ( 1.066 5.832 -3.486) 6.877 17.471 ( 0.686 0.334 -1.261) 1.474 17.879 ( 13.569 2.326 9.075) 16.490 18.351 ( -13.308 -14.244 -4.368) 19.977 18.739 ( -12.889 -5.277 -5.248) 14.884 19.215 ( 4.492 -9.605 5.025) 11.734 ======================= Grid point 248 (46/50) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 6.502 10.764 -4.661) 13.411 2.559 ( 2.182 8.007 -3.693) 9.083 2.739 ( 5.867 10.827 4.868) 13.242 2.862 ( 7.671 11.470 5.547) 14.872 2.936 ( -4.038 2.324 -0.194) 4.663 2.975 ( -3.340 2.338 -0.232) 4.083 3.109 ( -3.966 -2.434 -0.057) 4.654 3.121 ( -6.600 6.793 0.740) 9.501 3.344 ( 2.803 1.617 -6.298) 7.080 3.389 ( 2.617 -1.032 -5.302) 6.002 3.445 ( -2.236 -5.563 8.703) 10.568 3.594 ( -2.141 2.679 -1.320) 3.674 3.645 ( -4.934 0.842 0.696) 5.054 3.778 ( 1.180 1.272 1.633) 2.383 3.842 ( -0.336 1.058 0.822) 1.381 3.885 ( 0.582 0.379 0.839) 1.089 3.905 ( 1.668 -2.537 0.477) 3.073 3.972 ( 0.036 -2.515 -3.392) 4.223 4.081 ( -2.976 6.129 -0.924) 6.875 4.100 ( 2.347 0.572 2.464) 3.451 4.175 ( -1.128 0.100 0.533) 1.252 4.284 ( 6.389 2.401 0.109) 6.826 4.350 ( 1.631 -3.692 1.341) 4.253 4.471 ( -0.708 1.196 1.420) 1.987 4.496 ( 4.731 3.918 -1.748) 6.386 4.521 ( 3.554 0.968 0.082) 3.685 4.555 ( 3.270 5.020 0.725) 6.035 4.641 ( 3.839 2.417 -0.968) 4.639 4.660 ( 1.406 2.337 -1.254) 3.002 4.776 ( 1.166 -4.903 -0.189) 5.043 4.822 ( 1.177 -1.494 -2.932) 3.495 4.916 ( 1.006 4.226 -2.755) 5.144 4.978 ( 3.316 0.433 -0.958) 3.478 5.020 ( -1.307 2.235 -0.087) 2.591 5.127 ( -2.662 -8.315 7.147) 11.283 5.400 ( 0.461 -8.738 -1.654) 8.905 6.007 ( -3.450 1.418 0.256) 3.738 6.411 ( 2.053 -2.436 -0.097) 3.187 6.472 ( 0.864 1.890 -0.022) 2.078 6.511 ( -0.912 -0.397 0.601) 1.162 6.694 ( -0.086 -0.839 -0.454) 0.957 6.789 ( 1.119 -0.453 -1.431) 1.872 6.812 ( 0.149 -2.314 1.025) 2.536 6.885 ( 2.354 -0.787 0.297) 2.499 7.062 ( 0.892 1.055 -0.418) 1.443 7.772 ( -2.874 2.571 0.120) 3.859 7.837 ( -2.613 3.506 0.239) 4.379 8.333 ( -1.233 -4.156 0.208) 4.340 8.623 ( -2.284 -0.688 0.871) 2.539 8.698 ( -0.849 -1.684 -1.433) 2.368 8.757 ( -2.044 5.441 -1.413) 5.982 8.871 ( -5.521 -0.519 1.766) 5.820 9.117 ( 1.697 -2.379 6.541) 7.164 9.158 ( 0.694 -4.602 -6.730) 8.183 9.259 ( -0.902 3.022 -3.430) 4.660 9.319 ( -1.557 -1.832 4.398) 5.012 9.512 ( 0.346 0.062 2.592) 2.615 9.590 ( -3.536 3.358 -0.031) 4.876 9.629 ( -3.514 -3.656 -1.809) 5.384 9.903 ( 3.139 -4.834 -1.282) 5.905 10.104 ( -1.716 4.815 -1.777) 5.412 10.471 ( 2.959 -6.961 1.528) 7.717 10.923 ( 7.366 -10.635 -0.052) 12.937 11.101 ( -1.476 3.432 0.494) 3.768 11.258 ( 1.582 -1.093 1.017) 2.175 11.396 ( -0.602 7.874 -5.506) 9.627 11.480 ( -2.933 -0.892 7.299) 7.917 11.568 ( -4.288 5.059 -2.404) 7.054 11.677 ( -4.705 8.333 0.501) 9.583 11.880 ( -1.047 3.950 -2.815) 4.962 11.920 ( 1.423 -1.635 0.424) 2.209 12.059 ( 3.610 -3.534 0.671) 5.096 12.117 ( 1.747 2.024 -1.671) 3.153 12.184 ( 1.655 -0.940 0.592) 1.993 12.497 ( 1.105 2.976 3.482) 4.712 12.847 ( 4.446 -0.750 -4.122) 6.108 12.939 ( 4.433 -2.461 -1.164) 5.202 13.085 ( 4.243 -4.679 3.584) 7.262 15.764 ( 0.047 -0.243 0.112) 0.272 15.822 ( -0.652 -1.371 -0.129) 1.524 16.232 ( -0.282 -0.874 0.121) 0.926 16.776 ( -3.571 10.049 1.523) 10.772 16.890 ( -4.626 -0.868 -3.902) 6.114 17.180 ( -3.381 7.254 1.934) 8.233 17.332 ( -1.935 6.356 -1.419) 6.794 17.484 ( -0.051 1.145 -0.539) 1.267 17.996 ( -1.995 -7.597 7.532) 10.882 18.196 ( 9.644 1.095 -2.604) 10.049 18.468 ( -9.350 -8.173 -4.891) 13.347 19.204 ( 5.286 -9.652 1.940) 11.175 ======================= Grid point 264 (47/50) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 8.291 14.361 0.000) 16.583 2.363 ( 12.211 21.150 0.000) 24.422 2.407 ( 8.595 14.888 0.000) 17.191 2.417 ( 10.049 17.406 -0.000) 20.099 2.952 ( 5.870 10.168 0.000) 11.741 3.016 ( 3.304 5.722 0.000) 6.608 3.144 ( 2.879 4.986 -0.000) 5.757 3.176 ( 0.946 1.639 0.000) 1.893 3.341 ( 0.895 1.550 0.000) 1.789 3.342 ( 3.604 6.243 -0.000) 7.209 3.414 ( 1.812 3.138 -0.000) 3.623 3.514 ( -0.394 -0.682 0.000) 0.787 3.688 ( 7.641 13.234 -0.000) 15.281 3.782 ( -1.260 -2.182 0.000) 2.519 3.784 ( 6.064 10.503 -0.000) 12.128 3.825 ( 2.732 4.732 -0.000) 5.464 3.935 ( -1.658 -2.872 -0.000) 3.316 3.958 ( -0.554 -0.960 0.000) 1.109 3.998 ( 4.919 8.520 -0.000) 9.838 4.095 ( 2.560 4.435 0.000) 5.121 4.115 ( 2.696 4.670 0.000) 5.393 4.147 ( -0.806 -1.397 0.000) 1.613 4.233 ( 0.459 0.795 0.000) 0.918 4.280 ( -0.624 -1.080 -0.000) 1.248 4.324 ( 2.474 4.285 0.000) 4.948 4.447 ( 1.855 3.213 -0.000) 3.710 4.447 ( 2.195 3.802 0.000) 4.391 4.571 ( -1.342 -2.324 0.000) 2.684 4.652 ( 2.446 4.236 0.000) 4.891 4.707 ( 0.713 1.235 0.000) 1.426 4.773 ( 2.205 3.819 0.000) 4.409 4.901 ( -2.028 -3.513 0.000) 4.057 4.951 ( -1.027 -1.780 -0.000) 2.055 5.037 ( 1.112 1.926 0.000) 2.224 5.324 ( -6.012 -10.413 0.000) 12.024 5.426 ( -3.709 -6.424 0.000) 7.418 6.150 ( -1.831 -3.172 0.000) 3.663 6.344 ( -0.094 -0.163 0.000) 0.188 6.393 ( 2.063 3.573 0.000) 4.126 6.582 ( -1.417 -2.454 0.000) 2.833 6.617 ( 1.480 2.563 0.000) 2.959 6.780 ( 2.533 4.387 0.000) 5.066 6.817 ( -1.257 -2.178 0.000) 2.515 6.869 ( -1.181 -2.046 0.000) 2.362 7.002 ( 1.617 2.801 0.000) 3.234 7.762 ( 1.848 3.201 0.000) 3.696 7.979 ( -1.472 -2.550 0.000) 2.944 8.446 ( -4.551 -7.882 -0.000) 9.101 8.728 ( -1.103 -1.910 0.000) 2.206 8.751 ( -2.975 -5.152 -0.000) 5.949 8.835 ( -0.319 -0.552 0.000) 0.638 9.065 ( -2.208 -3.824 -0.000) 4.416 9.068 ( -2.561 -4.435 0.000) 5.121 9.211 ( -1.390 -2.408 0.000) 2.781 9.250 ( -1.131 -1.959 -0.000) 2.262 9.442 ( -1.534 -2.656 -0.000) 3.067 9.522 ( -0.696 -1.205 0.000) 1.392 9.749 ( -1.211 -2.098 0.000) 2.422 9.782 ( -1.165 -2.018 0.000) 2.330 9.802 ( -2.873 -4.976 0.000) 5.745 10.174 ( 0.406 0.703 0.000) 0.812 10.458 ( -3.945 -6.833 0.000) 7.890 10.741 ( -2.529 -4.380 0.000) 5.058 11.111 ( 1.485 2.572 -0.000) 2.970 11.304 ( 0.817 1.416 0.000) 1.635 11.306 ( 0.385 0.667 0.000) 0.770 11.556 ( 1.358 2.352 0.000) 2.716 11.702 ( 1.600 2.771 0.000) 3.200 11.739 ( 2.221 3.847 -0.000) 4.442 11.803 ( 1.547 2.680 -0.000) 3.095 11.896 ( 0.067 0.115 0.000) 0.133 11.920 ( 1.668 2.890 -0.000) 3.337 11.989 ( 2.683 4.646 -0.000) 5.365 12.174 ( 3.163 5.478 0.000) 6.325 12.317 ( 2.209 3.826 0.000) 4.418 12.652 ( 3.777 6.542 -0.000) 7.554 12.903 ( 1.256 2.176 0.000) 2.512 12.912 ( -0.013 -0.023 -0.000) 0.027 15.774 ( -0.487 -0.844 0.000) 0.975 15.869 ( -1.537 -2.662 0.000) 3.074 16.262 ( -1.159 -2.008 0.000) 2.318 16.804 ( 2.081 3.604 0.000) 4.162 17.132 ( -0.891 -1.543 0.000) 1.782 17.148 ( 1.331 2.306 -0.000) 2.662 17.355 ( 5.884 10.192 0.000) 11.769 17.459 ( 0.498 0.863 0.000) 0.996 17.723 ( 2.855 4.945 0.000) 5.709 18.395 ( -10.658 -18.460 -0.000) 21.316 18.932 ( -5.192 -8.993 -0.000) 10.384 19.019 ( -4.914 -8.511 0.000) 9.828 ======================= Grid point 266 (48/50) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 8.307 11.550 -4.014) 14.783 2.661 ( 3.427 14.518 1.624) 15.005 2.724 ( 7.070 14.942 -0.051) 16.530 2.832 ( 12.505 15.784 2.715) 20.319 2.987 ( -1.478 -3.107 -0.108) 3.442 3.092 ( -0.796 6.568 1.478) 6.779 3.143 ( -1.969 -1.619 0.328) 2.570 3.317 ( 1.215 10.445 -3.358) 11.039 3.347 ( -1.931 1.725 -4.733) 5.395 3.373 ( -6.380 1.920 -0.863) 6.718 3.433 ( 0.059 -2.667 7.443) 7.907 3.603 ( 5.091 1.667 -2.001) 5.719 3.712 ( -0.968 -0.758 -0.733) 1.431 3.802 ( -2.649 -0.450 4.367) 5.127 3.833 ( 0.962 -2.416 0.385) 2.629 3.851 ( -1.276 0.889 1.324) 2.043 3.916 ( 0.393 2.936 1.930) 3.536 3.927 ( 2.042 -1.691 -4.976) 5.638 4.075 ( -0.323 0.315 -0.520) 0.689 4.123 ( 3.701 -4.406 -0.031) 5.754 4.191 ( 0.930 5.645 -1.057) 5.818 4.249 ( 0.454 4.765 3.070) 5.687 4.294 ( 1.879 0.478 -0.923) 2.147 4.446 ( 4.588 3.874 4.140) 7.294 4.451 ( 10.145 8.314 -4.576) 13.892 4.498 ( -0.099 5.214 1.474) 5.419 4.534 ( 0.255 2.522 -1.051) 2.744 4.591 ( 5.551 4.364 -0.769) 7.102 4.701 ( 0.095 2.361 -1.368) 2.730 4.718 ( -0.100 -2.567 0.009) 2.569 4.823 ( -2.920 -0.746 -2.191) 3.726 4.883 ( 5.182 1.566 0.527) 5.439 4.930 ( 1.229 -1.662 -0.276) 2.086 5.038 ( -0.551 -4.061 2.879) 5.008 5.123 ( -5.598 -3.676 0.553) 6.720 5.296 ( -1.119 -10.770 -0.918) 10.867 6.092 ( -3.163 1.411 0.187) 3.468 6.338 ( 1.791 -3.190 -0.122) 3.661 6.471 ( 2.053 3.218 -0.012) 3.817 6.530 ( -1.757 -1.218 0.601) 2.221 6.672 ( 2.017 0.950 -0.694) 2.335 6.753 ( -1.211 -4.192 -0.555) 4.399 6.811 ( -0.852 -1.398 0.651) 1.761 6.848 ( 0.519 -0.523 0.085) 0.742 7.058 ( 1.257 1.906 -0.298) 2.303 7.832 ( 0.776 4.658 -0.117) 4.723 7.924 ( -2.907 0.956 0.289) 3.073 8.306 ( -2.386 -6.283 0.219) 6.724 8.665 ( -2.065 -0.496 0.768) 2.258 8.703 ( -0.752 -0.320 -1.238) 1.483 8.850 ( -1.751 5.244 -2.940) 6.261 8.953 ( -4.312 -2.709 3.535) 6.199 9.018 ( 2.383 -6.321 3.706) 7.705 9.154 ( -3.169 -1.513 -3.256) 4.789 9.224 ( 2.113 -3.169 -2.593) 4.607 9.406 ( -3.636 2.989 0.215) 4.712 9.502 ( 0.262 -0.997 4.552) 4.667 9.670 ( -5.017 -2.437 -1.341) 5.737 9.695 ( -3.873 1.221 1.300) 4.264 9.788 ( 3.145 -5.540 -2.819) 6.966 10.176 ( -0.598 2.932 -2.251) 3.744 10.361 ( -0.685 -6.026 2.077) 6.411 10.676 ( 4.393 -11.004 -0.045) 11.849 11.166 ( 0.719 3.960 0.345) 4.039 11.275 ( -3.124 2.166 1.992) 4.292 11.365 ( 3.598 -1.400 -2.419) 4.556 11.603 ( -1.674 6.894 4.164) 8.226 11.712 ( -5.007 6.243 -5.637) 9.789 11.818 ( 0.555 5.778 -2.701) 6.402 11.892 ( 4.231 1.779 5.814) 7.407 11.901 ( 0.634 0.033 5.124) 5.163 11.970 ( 1.590 0.684 -5.021) 5.311 12.081 ( 3.576 1.705 -3.772) 5.471 12.208 ( -4.250 4.590 -2.195) 6.629 12.423 ( 8.119 -3.010 7.627) 11.539 12.764 ( 2.706 2.402 -5.697) 6.749 12.878 ( -0.152 -3.004 -1.527) 3.373 12.956 ( 3.767 -2.895 4.241) 6.369 15.762 ( -0.108 -0.326 0.073) 0.351 15.820 ( -1.105 -2.072 -0.083) 2.350 16.228 ( -0.619 -1.314 0.070) 1.454 16.851 ( 0.210 1.922 1.030) 2.190 17.086 ( -7.355 10.153 -7.228) 14.472 17.255 ( 4.530 4.701 10.200) 12.110 17.472 ( -1.977 3.637 -0.702) 4.199 17.514 ( -2.188 10.327 -10.288) 14.740 17.841 ( 9.562 -6.399 13.615) 17.825 18.091 ( -2.561 -8.417 -6.055) 10.680 18.629 ( -16.679 -5.259 -4.020) 17.945 18.944 ( 7.467 -16.280 3.199) 18.194 ======================= Grid point 268 (49/50) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -2.358 4.084 -0.000) 4.716 2.699 ( -4.064 7.038 -0.000) 8.127 2.934 ( -2.745 4.756 -0.000) 5.491 2.937 ( -0.848 1.467 0.000) 1.695 3.068 ( -0.075 0.130 -0.000) 0.150 3.114 ( -4.633 8.025 0.000) 9.266 3.165 ( -7.390 12.799 0.000) 14.779 3.217 ( -1.312 2.273 0.000) 2.624 3.325 ( 2.835 -4.911 0.000) 5.670 3.350 ( -0.984 1.704 -0.000) 1.967 3.416 ( -1.969 3.411 0.000) 3.939 3.665 ( 0.325 -0.563 0.000) 0.650 3.667 ( -2.300 3.983 0.000) 4.600 3.824 ( 1.139 -1.973 0.000) 2.279 3.835 ( -1.237 2.142 -0.000) 2.474 3.842 ( 1.210 -2.097 -0.000) 2.421 3.924 ( 0.911 -1.579 0.000) 1.823 3.937 ( -1.575 2.728 0.000) 3.150 4.097 ( 1.004 -1.739 0.000) 2.009 4.101 ( 1.938 -3.357 0.000) 3.876 4.235 ( -3.038 5.262 -0.000) 6.076 4.295 ( 1.177 -2.038 0.000) 2.353 4.317 ( -1.049 1.816 -0.000) 2.098 4.458 ( 0.380 -0.658 0.000) 0.760 4.530 ( -0.708 1.226 -0.000) 1.416 4.580 ( -0.632 1.094 -0.000) 1.263 4.646 ( 0.389 -0.675 -0.000) 0.779 4.646 ( 0.833 -1.440 0.000) 1.664 4.675 ( -0.774 1.340 -0.000) 1.547 4.701 ( -1.451 2.514 0.000) 2.903 4.831 ( -0.549 0.951 0.000) 1.098 4.932 ( 4.920 -8.521 -0.000) 9.840 4.937 ( 1.087 -1.883 0.000) 2.174 5.018 ( -1.650 2.857 -0.000) 3.299 5.046 ( 0.606 -1.049 0.000) 1.212 5.210 ( 4.785 -8.288 0.000) 9.570 6.072 ( -2.606 4.514 0.000) 5.212 6.340 ( 2.546 -4.410 0.000) 5.092 6.505 ( 0.076 -0.132 0.000) 0.153 6.513 ( -1.178 2.040 -0.000) 2.356 6.688 ( 0.308 -0.533 0.000) 0.616 6.725 ( 1.923 -3.330 0.000) 3.845 6.787 ( 0.511 -0.886 0.000) 1.023 6.846 ( 1.349 -2.336 0.000) 2.697 7.079 ( -0.319 0.553 0.000) 0.639 7.860 ( -2.786 4.826 0.000) 5.573 7.911 ( -1.770 3.065 0.000) 3.539 8.248 ( 2.227 -3.858 0.000) 4.455 8.654 ( -2.020 3.499 0.000) 4.040 8.695 ( -0.667 1.155 0.000) 1.333 8.851 ( 0.367 -0.636 0.000) 0.735 8.902 ( -3.732 6.464 -0.000) 7.464 9.023 ( 3.650 -6.322 -0.000) 7.300 9.096 ( 0.301 -0.521 0.000) 0.602 9.241 ( 2.272 -3.935 -0.000) 4.543 9.372 ( -3.314 5.741 -0.000) 6.629 9.521 ( -0.155 0.268 0.000) 0.310 9.586 ( -0.088 0.153 -0.000) 0.177 9.664 ( -1.694 2.935 0.000) 3.389 9.788 ( 3.433 -5.946 0.000) 6.866 10.204 ( -2.940 5.093 0.000) 5.881 10.309 ( 4.266 -7.388 0.000) 8.531 10.662 ( 7.523 -13.031 0.000) 15.047 11.202 ( -2.796 4.843 0.000) 5.592 11.250 ( -0.458 0.794 0.000) 0.917 11.392 ( 1.899 -3.290 0.000) 3.799 11.629 ( -5.517 9.556 0.000) 11.035 11.690 ( -3.552 6.151 -0.000) 7.103 11.872 ( -5.267 9.123 0.000) 10.534 11.878 ( 0.951 -1.648 -0.000) 1.902 11.975 ( -2.467 4.272 0.000) 4.933 11.976 ( 2.738 -4.743 -0.000) 5.476 12.134 ( 1.766 -3.060 0.000) 3.533 12.174 ( -2.213 3.833 -0.000) 4.426 12.491 ( 2.487 -4.308 0.000) 4.974 12.782 ( 3.480 -6.028 0.000) 6.961 12.874 ( 0.946 -1.638 -0.000) 1.891 12.973 ( 2.686 -4.652 0.000) 5.372 15.761 ( 0.018 -0.031 0.000) 0.036 15.796 ( 0.606 -1.049 0.000) 1.211 16.215 ( 0.365 -0.632 0.000) 0.730 16.861 ( 0.041 -0.071 0.000) 0.082 17.077 ( -9.075 15.718 0.000) 18.149 17.361 ( -4.977 8.620 0.000) 9.954 17.432 ( -1.547 2.680 -0.000) 3.095 17.543 ( -1.908 3.306 0.000) 3.817 17.826 ( 5.146 -8.913 -0.000) 10.292 18.242 ( -0.217 0.375 -0.000) 0.433 18.301 ( 1.047 -1.814 0.000) 2.095 18.927 ( 9.599 -16.625 0.000) 19.197 ======================= Grid point 288 (50/50) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 5.812 10.067 0.000) 11.625 2.830 ( -1.042 -1.805 -0.000) 2.085 2.905 ( 0.664 1.151 0.000) 1.329 2.979 ( 4.456 7.718 0.000) 8.912 3.098 ( -1.046 -1.812 0.000) 2.093 3.164 ( 7.474 12.946 0.000) 14.949 3.215 ( 3.028 5.245 -0.000) 6.056 3.243 ( -4.902 -8.490 0.000) 9.804 3.379 ( -1.207 -2.091 0.000) 2.415 3.422 ( 2.583 4.474 -0.000) 5.167 3.516 ( 1.021 1.768 0.000) 2.041 3.612 ( -2.776 -4.808 -0.000) 5.552 3.729 ( 1.586 2.747 0.000) 3.172 3.734 ( 1.061 1.838 -0.000) 2.123 3.814 ( -0.519 -0.899 0.000) 1.038 3.892 ( 0.772 1.337 -0.000) 1.544 3.906 ( -0.284 -0.491 -0.000) 0.567 3.954 ( 0.146 0.253 0.000) 0.292 4.061 ( -0.115 -0.199 -0.000) 0.230 4.083 ( -0.576 -0.997 0.000) 1.151 4.239 ( -0.830 -1.438 0.000) 1.660 4.264 ( -0.025 -0.043 0.000) 0.049 4.382 ( 3.251 5.631 0.000) 6.502 4.459 ( -0.731 -1.267 0.000) 1.463 4.534 ( 1.378 2.387 0.000) 2.756 4.602 ( 1.454 2.518 0.000) 2.908 4.631 ( 0.577 0.999 -0.000) 1.154 4.668 ( 0.957 1.658 0.000) 1.915 4.700 ( -0.453 -0.785 -0.000) 0.906 4.708 ( 2.419 4.190 0.000) 4.838 4.822 ( -0.727 -1.259 -0.000) 1.454 4.834 ( -2.007 -3.476 0.000) 4.014 4.942 ( 0.472 0.817 0.000) 0.943 4.959 ( 0.975 1.688 -0.000) 1.949 5.084 ( -4.886 -8.463 0.000) 9.772 5.114 ( -0.346 -0.599 0.000) 0.691 6.148 ( 2.026 3.508 0.000) 4.051 6.265 ( -2.091 -3.623 0.000) 4.183 6.505 ( -0.459 -0.795 0.000) 0.918 6.543 ( 2.049 3.550 0.000) 4.099 6.653 ( -2.613 -4.526 0.000) 5.226 6.712 ( 1.303 2.257 0.000) 2.606 6.772 ( -1.173 -2.032 0.000) 2.346 6.819 ( -0.888 -1.538 0.000) 1.776 7.085 ( 0.375 0.650 0.000) 0.750 7.925 ( 1.862 3.225 0.000) 3.724 7.941 ( 0.383 0.663 0.000) 0.766 8.199 ( -2.041 -3.535 -0.000) 4.082 8.709 ( 2.438 4.224 0.000) 4.877 8.719 ( 0.667 1.155 -0.000) 1.333 8.873 ( -2.268 -3.928 0.000) 4.536 8.877 ( -2.790 -4.833 -0.000) 5.581 9.003 ( 3.891 6.739 0.000) 7.782 9.139 ( -1.411 -2.444 0.000) 2.822 9.145 ( -1.324 -2.294 0.000) 2.649 9.484 ( 0.415 0.718 0.000) 0.829 9.487 ( 1.751 3.034 -0.000) 3.503 9.620 ( -1.969 -3.410 0.000) 3.937 9.688 ( -0.632 -1.094 0.000) 1.263 9.702 ( -1.211 -2.097 0.000) 2.422 10.208 ( 0.306 0.530 -0.000) 0.612 10.312 ( 0.695 1.203 0.000) 1.389 10.473 ( -4.350 -7.535 -0.000) 8.700 11.244 ( 2.114 3.661 -0.000) 4.228 11.308 ( -0.366 -0.633 0.000) 0.731 11.321 ( -0.715 -1.239 0.000) 1.430 11.738 ( 3.242 5.616 0.000) 6.484 11.831 ( 0.534 0.925 0.000) 1.068 11.831 ( -0.300 -0.519 -0.000) 0.599 11.884 ( 0.430 0.744 0.000) 0.860 11.991 ( 0.748 1.296 0.000) 1.496 12.011 ( 2.986 5.172 -0.000) 5.972 12.088 ( -0.427 -0.739 -0.000) 0.854 12.319 ( -0.774 -1.341 -0.000) 1.548 12.334 ( 1.394 2.415 0.000) 2.788 12.694 ( -3.720 -6.444 0.000) 7.441 12.872 ( 1.102 1.909 -0.000) 2.205 12.919 ( -0.762 -1.319 0.000) 1.523 15.762 ( 0.212 0.367 -0.000) 0.424 15.784 ( -0.752 -1.303 0.000) 1.505 16.208 ( -0.295 -0.511 0.000) 0.590 16.861 ( -0.023 -0.039 0.000) 0.045 17.334 ( 5.595 9.690 0.000) 11.190 17.389 ( 5.582 9.668 -0.000) 11.163 17.496 ( 0.067 0.116 0.000) 0.134 17.615 ( -3.280 -5.681 0.000) 6.560 17.650 ( -4.775 -8.271 -0.000) 9.551 18.158 ( 8.669 15.014 0.000) 17.337 18.515 ( -6.199 -10.737 -0.000) 12.398 18.593 ( -6.614 -11.455 0.000) 13.227 =================== 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 3/36000 10.0 1329.266 1329.266 1651.778 -0.000 0.000 0.000 3/36000 20.0 195.861 195.861 190.663 -0.000 0.000 0.000 3/36000 30.0 61.713 61.713 52.529 0.000 0.000 -0.000 3/36000 40.0 31.116 31.116 24.965 0.000 0.000 -0.000 3/36000 50.0 19.438 19.438 15.247 0.000 0.000 -0.000 3/36000 60.0 13.641 13.641 10.606 0.000 0.000 -0.000 3/36000 70.0 10.295 10.295 7.980 0.000 0.000 -0.000 3/36000 80.0 8.167 8.167 6.328 0.000 0.000 -0.000 3/36000 90.0 6.719 6.719 5.211 0.000 0.000 -0.000 3/36000 100.0 5.684 5.684 4.416 0.000 0.000 -0.000 3/36000 110.0 4.915 4.915 3.826 0.000 0.000 -0.000 3/36000 120.0 4.326 4.326 3.374 0.000 0.000 -0.000 3/36000 130.0 3.862 3.862 3.019 0.000 0.000 -0.000 3/36000 140.0 3.490 3.490 2.733 0.000 0.000 -0.000 3/36000 150.0 3.184 3.184 2.498 0.000 0.000 -0.000 3/36000 160.0 2.930 2.930 2.302 0.000 0.000 -0.000 3/36000 170.0 2.716 2.716 2.136 0.000 0.000 -0.000 3/36000 180.0 2.532 2.532 1.994 0.000 0.000 -0.000 3/36000 190.0 2.373 2.373 1.871 0.000 0.000 -0.000 3/36000 200.0 2.235 2.235 1.763 0.000 0.000 -0.000 3/36000 210.0 2.112 2.112 1.668 0.000 0.000 -0.000 3/36000 220.0 2.004 2.004 1.583 0.000 0.000 -0.000 3/36000 230.0 1.907 1.907 1.507 0.000 0.000 -0.000 3/36000 240.0 1.819 1.819 1.439 0.000 0.000 -0.000 3/36000 250.0 1.740 1.740 1.377 0.000 0.000 -0.000 3/36000 260.0 1.668 1.668 1.320 0.000 0.000 -0.000 3/36000 270.0 1.602 1.602 1.268 0.000 0.000 -0.000 3/36000 280.0 1.541 1.541 1.220 0.000 0.000 -0.000 3/36000 290.0 1.485 1.485 1.176 0.000 0.000 -0.000 3/36000 300.0 1.433 1.433 1.135 0.000 0.000 -0.000 3/36000 310.0 1.385 1.385 1.097 0.000 0.000 -0.000 3/36000 320.0 1.340 1.340 1.062 0.000 0.000 -0.000 3/36000 330.0 1.299 1.299 1.029 0.000 0.000 -0.000 3/36000 340.0 1.259 1.259 0.997 0.000 0.000 -0.000 3/36000 350.0 1.222 1.222 0.968 0.000 0.000 -0.000 3/36000 360.0 1.188 1.188 0.941 0.000 0.000 -0.000 3/36000 370.0 1.155 1.155 0.915 0.000 0.000 -0.000 3/36000 380.0 1.124 1.124 0.890 0.000 0.000 -0.000 3/36000 390.0 1.095 1.095 0.867 0.000 0.000 -0.000 3/36000 400.0 1.067 1.067 0.845 0.000 0.000 -0.000 3/36000 410.0 1.041 1.041 0.824 0.000 0.000 -0.000 3/36000 420.0 1.016 1.016 0.805 0.000 0.000 -0.000 3/36000 430.0 0.992 0.992 0.786 0.000 0.000 -0.000 3/36000 440.0 0.969 0.969 0.768 0.000 0.000 -0.000 3/36000 450.0 0.948 0.948 0.751 0.000 0.000 -0.000 3/36000 460.0 0.927 0.927 0.734 0.000 0.000 -0.000 3/36000 470.0 0.907 0.907 0.718 0.000 0.000 -0.000 3/36000 480.0 0.888 0.888 0.703 0.000 0.000 -0.000 3/36000 490.0 0.870 0.870 0.689 0.000 0.000 -0.000 3/36000 500.0 0.853 0.853 0.675 0.000 0.000 -0.000 3/36000 510.0 0.836 0.836 0.662 0.000 0.000 -0.000 3/36000 520.0 0.820 0.820 0.649 0.000 0.000 -0.000 3/36000 530.0 0.804 0.804 0.637 0.000 0.000 -0.000 3/36000 540.0 0.790 0.790 0.625 0.000 0.000 -0.000 3/36000 550.0 0.775 0.775 0.614 0.000 0.000 -0.000 3/36000 560.0 0.761 0.761 0.603 0.000 0.000 -0.000 3/36000 570.0 0.748 0.748 0.592 0.000 0.000 -0.000 3/36000 580.0 0.735 0.735 0.582 0.000 0.000 -0.000 3/36000 590.0 0.723 0.723 0.572 0.000 0.000 -0.000 3/36000 600.0 0.711 0.711 0.562 0.000 0.000 -0.000 3/36000 610.0 0.699 0.699 0.553 0.000 0.000 -0.000 3/36000 620.0 0.688 0.688 0.544 0.000 0.000 -0.000 3/36000 630.0 0.677 0.677 0.536 0.000 0.000 -0.000 3/36000 640.0 0.666 0.666 0.527 0.000 0.000 -0.000 3/36000 650.0 0.656 0.656 0.519 0.000 0.000 -0.000 3/36000 660.0 0.646 0.646 0.511 0.000 0.000 -0.000 3/36000 670.0 0.637 0.637 0.504 0.000 0.000 -0.000 3/36000 680.0 0.627 0.627 0.496 0.000 0.000 -0.000 3/36000 690.0 0.618 0.618 0.489 0.000 0.000 -0.000 3/36000 700.0 0.609 0.609 0.482 0.000 0.000 -0.000 3/36000 710.0 0.601 0.601 0.475 0.000 0.000 -0.000 3/36000 720.0 0.593 0.593 0.469 0.000 0.000 -0.000 3/36000 730.0 0.584 0.584 0.462 0.000 0.000 -0.000 3/36000 740.0 0.577 0.577 0.456 0.000 0.000 -0.000 3/36000 750.0 0.569 0.569 0.450 0.000 0.000 -0.000 3/36000 760.0 0.561 0.561 0.444 0.000 0.000 -0.000 3/36000 770.0 0.554 0.554 0.438 0.000 0.000 -0.000 3/36000 780.0 0.547 0.547 0.433 0.000 0.000 -0.000 3/36000 790.0 0.540 0.540 0.427 0.000 0.000 -0.000 3/36000 800.0 0.533 0.533 0.422 0.000 0.000 -0.000 3/36000 810.0 0.527 0.527 0.417 0.000 0.000 -0.000 3/36000 820.0 0.521 0.521 0.412 0.000 0.000 -0.000 3/36000 830.0 0.514 0.514 0.407 0.000 0.000 -0.000 3/36000 840.0 0.508 0.508 0.402 0.000 0.000 -0.000 3/36000 850.0 0.502 0.502 0.397 0.000 0.000 -0.000 3/36000 860.0 0.496 0.496 0.393 0.000 0.000 -0.000 3/36000 870.0 0.491 0.491 0.388 0.000 0.000 -0.000 3/36000 880.0 0.485 0.485 0.384 0.000 0.000 -0.000 3/36000 890.0 0.480 0.480 0.379 0.000 0.000 -0.000 3/36000 900.0 0.474 0.474 0.375 0.000 0.000 -0.000 3/36000 910.0 0.469 0.469 0.371 0.000 0.000 -0.000 3/36000 920.0 0.464 0.464 0.367 0.000 0.000 -0.000 3/36000 930.0 0.459 0.459 0.363 0.000 0.000 -0.000 3/36000 940.0 0.454 0.454 0.359 0.000 0.000 -0.000 3/36000 950.0 0.449 0.449 0.355 0.000 0.000 -0.000 3/36000 960.0 0.445 0.445 0.352 0.000 0.000 -0.000 3/36000 970.0 0.440 0.440 0.348 0.000 0.000 -0.000 3/36000 980.0 0.436 0.436 0.345 0.000 0.000 -0.000 3/36000 990.0 0.431 0.431 0.341 0.000 0.000 -0.000 3/36000 1000.0 0.427 0.427 0.338 0.000 0.000 -0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:15:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|