----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:57:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.081621139999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.955102390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.108205220000002 Atomic positions (fractional): *1 Li 0.67280811373330 0.99251400066125 0.59639277645623 6.941 2 Li 0.82719188626670 0.00748599933875 0.09639277645623 6.941 3 Li 0.17280811373330 0.50748599933875 0.90360722354377 6.941 4 Li 0.32719188626670 0.49251400066125 0.40360722354377 6.941 5 Li 0.32719188626670 0.00748599933875 0.40360722354377 6.941 6 Li 0.17280811373330 0.99251400066125 0.90360722354377 6.941 7 Li 0.82719188626670 0.49251400066125 0.09639277645623 6.941 8 Li 0.67280811373330 0.50748599933875 0.59639277645623 6.941 *9 Li 0.99169778230544 0.75000000000000 0.55172965785489 6.941 10 Li 0.50830221769456 0.25000000000000 0.05172965785489 6.941 11 Li 0.49169778230544 0.75000000000000 0.94827034214511 6.941 12 Li 0.00830221769456 0.25000000000000 0.44827034214512 6.941 *13 B 0.88434795759069 0.25000000000000 0.87979257649087 10.811 14 B 0.61565204240931 0.75000000000000 0.37979257649088 10.811 15 B 0.38434795759069 0.25000000000000 0.62020742350913 10.811 16 B 0.11565204240931 0.75000000000000 0.12020742350912 10.811 *17 S 0.92643016277933 0.09201576816122 0.73773208781810 32.065 18 S 0.57356983722067 0.90798423183878 0.23773208781810 32.065 19 S 0.42643016277933 0.40798423183878 0.76226791218190 32.065 20 S 0.07356983722067 0.59201576816122 0.26226791218190 32.065 21 S 0.07356983722067 0.90798423183878 0.26226791218190 32.065 22 S 0.42643016277933 0.09201576816122 0.76226791218190 32.065 23 S 0.57356983722067 0.59201576816122 0.23773208781810 32.065 24 S 0.92643016277933 0.40798423183878 0.73773208781810 32.065 *25 S 0.19985696873875 0.75000000000000 0.84218981735715 32.065 26 S 0.30014303126124 0.25000000000000 0.34218981735715 32.065 27 S 0.69985696873876 0.75000000000000 0.65781018264285 32.065 28 S 0.80014303126124 0.25000000000000 0.15781018264285 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.081621139999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.955102390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.108205220000002 Atomic positions (fractional): *1 Li 0.67280811373330 0.99251400066125 0.59639277645623 6.941 > 1 2 Li 0.82719188626670 0.00748599933875 0.09639277645623 6.941 > 2 3 Li 0.17280811373330 0.50748599933875 0.90360722354377 6.941 > 3 4 Li 0.32719188626670 0.49251400066125 0.40360722354377 6.941 > 4 5 Li 0.32719188626670 0.00748599933875 0.40360722354377 6.941 > 5 6 Li 0.17280811373330 0.99251400066125 0.90360722354377 6.941 > 6 7 Li 0.82719188626670 0.49251400066125 0.09639277645623 6.941 > 7 8 Li 0.67280811373330 0.50748599933875 0.59639277645623 6.941 > 8 *9 Li 0.99169778230544 0.75000000000000 0.55172965785489 6.941 > 9 10 Li 0.50830221769456 0.25000000000000 0.05172965785489 6.941 > 10 11 Li 0.49169778230544 0.75000000000000 0.94827034214511 6.941 > 11 12 Li 0.00830221769456 0.25000000000000 0.44827034214512 6.941 > 12 *13 B 0.88434795759069 0.25000000000000 0.87979257649087 10.811 > 13 14 B 0.61565204240931 0.75000000000000 0.37979257649088 10.811 > 14 15 B 0.38434795759069 0.25000000000000 0.62020742350913 10.811 > 15 16 B 0.11565204240931 0.75000000000000 0.12020742350912 10.811 > 16 *17 S 0.92643016277933 0.09201576816122 0.73773208781810 32.065 > 17 18 S 0.57356983722067 0.90798423183878 0.23773208781810 32.065 > 18 19 S 0.42643016277933 0.40798423183878 0.76226791218190 32.065 > 19 20 S 0.07356983722067 0.59201576816122 0.26226791218190 32.065 > 20 21 S 0.07356983722067 0.90798423183878 0.26226791218190 32.065 > 21 22 S 0.42643016277933 0.09201576816122 0.76226791218190 32.065 > 22 23 S 0.57356983722067 0.59201576816122 0.23773208781810 32.065 > 23 24 S 0.92643016277933 0.40798423183878 0.73773208781810 32.065 > 24 *25 S 0.19985696873875 0.75000000000000 0.84218981735715 32.065 > 25 26 S 0.30014303126124 0.25000000000000 0.34218981735715 32.065 > 26 27 S 0.69985696873876 0.75000000000000 0.65781018264285 32.065 > 27 28 S 0.80014303126124 0.25000000000000 0.15781018264285 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.163242279999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.955102390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.216410440000004 Atomic positions (fractional): *1 Li 0.33640405686665 0.99251400066125 0.29819638822812 6.941 > 1 2 Li 0.83640405686665 0.99251400066125 0.29819638822812 6.941 > 1 3 Li 0.33640405686665 0.99251400066125 0.79819638822812 6.941 > 1 4 Li 0.83640405686665 0.99251400066125 0.79819638822812 6.941 > 1 5 Li 0.41359594313335 0.00748599933875 0.04819638822812 6.941 > 2 6 Li 0.91359594313335 0.00748599933875 0.04819638822812 6.941 > 2 7 Li 0.41359594313335 0.00748599933875 0.54819638822812 6.941 > 2 8 Li 0.91359594313335 0.00748599933875 0.54819638822812 6.941 > 2 9 Li 0.08640405686665 0.50748599933875 0.45180361177188 6.941 > 3 10 Li 0.58640405686665 0.50748599933875 0.45180361177188 6.941 > 3 11 Li 0.08640405686665 0.50748599933875 0.95180361177188 6.941 > 3 12 Li 0.58640405686665 0.50748599933875 0.95180361177188 6.941 > 3 13 Li 0.16359594313335 0.49251400066125 0.20180361177188 6.941 > 4 14 Li 0.66359594313335 0.49251400066125 0.20180361177188 6.941 > 4 15 Li 0.16359594313335 0.49251400066125 0.70180361177188 6.941 > 4 16 Li 0.66359594313335 0.49251400066125 0.70180361177188 6.941 > 4 17 Li 0.16359594313335 0.00748599933875 0.20180361177188 6.941 > 5 18 Li 0.66359594313335 0.00748599933875 0.20180361177188 6.941 > 5 19 Li 0.16359594313335 0.00748599933875 0.70180361177188 6.941 > 5 20 Li 0.66359594313335 0.00748599933875 0.70180361177188 6.941 > 5 21 Li 0.08640405686665 0.99251400066125 0.45180361177188 6.941 > 6 22 Li 0.58640405686665 0.99251400066125 0.45180361177188 6.941 > 6 23 Li 0.08640405686665 0.99251400066125 0.95180361177188 6.941 > 6 24 Li 0.58640405686665 0.99251400066125 0.95180361177188 6.941 > 6 25 Li 0.41359594313335 0.49251400066125 0.04819638822812 6.941 > 7 26 Li 0.91359594313335 0.49251400066125 0.04819638822812 6.941 > 7 27 Li 0.41359594313335 0.49251400066125 0.54819638822812 6.941 > 7 28 Li 0.91359594313335 0.49251400066125 0.54819638822812 6.941 > 7 29 Li 0.33640405686665 0.50748599933875 0.29819638822812 6.941 > 8 30 Li 0.83640405686665 0.50748599933875 0.29819638822812 6.941 > 8 31 Li 0.33640405686665 0.50748599933875 0.79819638822812 6.941 > 8 32 Li 0.83640405686665 0.50748599933875 0.79819638822812 6.941 > 8 *33 Li 0.49584889115272 0.75000000000000 0.27586482892744 6.941 > 9 34 Li 0.99584889115272 0.75000000000000 0.27586482892744 6.941 > 9 35 Li 0.49584889115272 0.75000000000000 0.77586482892744 6.941 > 9 36 Li 0.99584889115272 0.75000000000000 0.77586482892744 6.941 > 9 37 Li 0.25415110884728 0.25000000000000 0.02586482892744 6.941 > 10 38 Li 0.75415110884728 0.25000000000000 0.02586482892744 6.941 > 10 39 Li 0.25415110884728 0.25000000000000 0.52586482892744 6.941 > 10 40 Li 0.75415110884728 0.25000000000000 0.52586482892744 6.941 > 10 41 Li 0.24584889115272 0.75000000000000 0.47413517107256 6.941 > 11 42 Li 0.74584889115272 0.75000000000000 0.47413517107256 6.941 > 11 43 Li 0.24584889115272 0.75000000000000 0.97413517107256 6.941 > 11 44 Li 0.74584889115272 0.75000000000000 0.97413517107256 6.941 > 11 45 Li 0.00415110884728 0.25000000000000 0.22413517107256 6.941 > 12 46 Li 0.50415110884728 0.25000000000000 0.22413517107256 6.941 > 12 47 Li 0.00415110884728 0.25000000000000 0.72413517107256 6.941 > 12 48 Li 0.50415110884728 0.25000000000000 0.72413517107256 6.941 > 12 *49 B 0.44217397879534 0.25000000000000 0.43989628824544 10.811 > 13 50 B 0.94217397879534 0.25000000000000 0.43989628824544 10.811 > 13 51 B 0.44217397879534 0.25000000000000 0.93989628824544 10.811 > 13 52 B 0.94217397879534 0.25000000000000 0.93989628824544 10.811 > 13 53 B 0.30782602120466 0.75000000000000 0.18989628824544 10.811 > 14 54 B 0.80782602120466 0.75000000000000 0.18989628824544 10.811 > 14 55 B 0.30782602120466 0.75000000000000 0.68989628824544 10.811 > 14 56 B 0.80782602120466 0.75000000000000 0.68989628824544 10.811 > 14 57 B 0.19217397879534 0.25000000000000 0.31010371175456 10.811 > 15 58 B 0.69217397879534 0.25000000000000 0.31010371175456 10.811 > 15 59 B 0.19217397879534 0.25000000000000 0.81010371175456 10.811 > 15 60 B 0.69217397879534 0.25000000000000 0.81010371175456 10.811 > 15 61 B 0.05782602120466 0.75000000000000 0.06010371175456 10.811 > 16 62 B 0.55782602120466 0.75000000000000 0.06010371175456 10.811 > 16 63 B 0.05782602120466 0.75000000000000 0.56010371175456 10.811 > 16 64 B 0.55782602120466 0.75000000000000 0.56010371175456 10.811 > 16 *65 S 0.46321508138966 0.09201576816122 0.36886604390905 32.065 > 17 66 S 0.96321508138966 0.09201576816122 0.36886604390905 32.065 > 17 67 S 0.46321508138966 0.09201576816122 0.86886604390905 32.065 > 17 68 S 0.96321508138966 0.09201576816122 0.86886604390905 32.065 > 17 69 S 0.28678491861034 0.90798423183878 0.11886604390905 32.065 > 18 70 S 0.78678491861034 0.90798423183878 0.11886604390905 32.065 > 18 71 S 0.28678491861034 0.90798423183878 0.61886604390905 32.065 > 18 72 S 0.78678491861034 0.90798423183878 0.61886604390905 32.065 > 18 73 S 0.21321508138966 0.40798423183878 0.38113395609095 32.065 > 19 74 S 0.71321508138966 0.40798423183878 0.38113395609095 32.065 > 19 75 S 0.21321508138966 0.40798423183878 0.88113395609095 32.065 > 19 76 S 0.71321508138966 0.40798423183878 0.88113395609095 32.065 > 19 77 S 0.03678491861034 0.59201576816122 0.13113395609095 32.065 > 20 78 S 0.53678491861034 0.59201576816122 0.13113395609095 32.065 > 20 79 S 0.03678491861034 0.59201576816122 0.63113395609095 32.065 > 20 80 S 0.53678491861034 0.59201576816122 0.63113395609095 32.065 > 20 81 S 0.03678491861034 0.90798423183878 0.13113395609095 32.065 > 21 82 S 0.53678491861034 0.90798423183878 0.13113395609095 32.065 > 21 83 S 0.03678491861034 0.90798423183878 0.63113395609095 32.065 > 21 84 S 0.53678491861034 0.90798423183878 0.63113395609095 32.065 > 21 85 S 0.21321508138966 0.09201576816122 0.38113395609095 32.065 > 22 86 S 0.71321508138966 0.09201576816122 0.38113395609095 32.065 > 22 87 S 0.21321508138966 0.09201576816122 0.88113395609095 32.065 > 22 88 S 0.71321508138966 0.09201576816122 0.88113395609095 32.065 > 22 89 S 0.28678491861034 0.59201576816122 0.11886604390905 32.065 > 23 90 S 0.78678491861034 0.59201576816122 0.11886604390905 32.065 > 23 91 S 0.28678491861034 0.59201576816122 0.61886604390905 32.065 > 23 92 S 0.78678491861034 0.59201576816122 0.61886604390905 32.065 > 23 93 S 0.46321508138966 0.40798423183878 0.36886604390905 32.065 > 24 94 S 0.96321508138966 0.40798423183878 0.36886604390905 32.065 > 24 95 S 0.46321508138966 0.40798423183878 0.86886604390905 32.065 > 24 96 S 0.96321508138966 0.40798423183878 0.86886604390905 32.065 > 24 *97 S 0.09992848436938 0.75000000000000 0.42109490867857 32.065 > 25 98 S 0.59992848436938 0.75000000000000 0.42109490867857 32.065 > 25 99 S 0.09992848436938 0.75000000000000 0.92109490867857 32.065 > 25 100 S 0.59992848436938 0.75000000000000 0.92109490867857 32.065 > 25 101 S 0.15007151563062 0.25000000000000 0.17109490867857 32.065 > 26 102 S 0.65007151563062 0.25000000000000 0.17109490867857 32.065 > 26 103 S 0.15007151563062 0.25000000000000 0.67109490867857 32.065 > 26 104 S 0.65007151563062 0.25000000000000 0.67109490867857 32.065 > 26 105 S 0.34992848436938 0.75000000000000 0.32890509132143 32.065 > 27 106 S 0.84992848436938 0.75000000000000 0.32890509132143 32.065 > 27 107 S 0.34992848436938 0.75000000000000 0.82890509132143 32.065 > 27 108 S 0.84992848436938 0.75000000000000 0.82890509132143 32.065 > 27 109 S 0.40007151563062 0.25000000000000 0.07890509132143 32.065 > 28 110 S 0.90007151563062 0.25000000000000 0.07890509132143 32.065 > 28 111 S 0.40007151563062 0.25000000000000 0.57890509132143 32.065 > 28 112 S 0.90007151563062 0.25000000000000 0.57890509132143 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3945480 0.0000000 0.0000000 0.0000000 4.3808734 0.0000000 0.0000000 0.0000000 4.1260286 -------------------------- Born effective charges -------------------------- 1 Li 1.0323034 0.0450890 0.0230142 0.0367938 1.1933519 0.3533532 0.1067540 0.2403995 0.9146354 2 Li 1.0323034 0.0450890 -0.0230142 0.0367938 1.1933519 -0.3533532 -0.1067540 -0.2403995 0.9146354 3 Li 1.0323034 -0.0450890 -0.0230142 -0.0367938 1.1933519 0.3533532 -0.1067540 0.2403995 0.9146354 4 Li 1.0323034 -0.0450890 0.0230142 -0.0367938 1.1933519 -0.3533532 0.1067540 -0.2403995 0.9146354 5 Li 1.0323034 0.0450890 0.0230142 0.0367938 1.1933519 0.3533532 0.1067540 0.2403995 0.9146354 6 Li 1.0323034 0.0450890 -0.0230142 0.0367938 1.1933519 -0.3533532 -0.1067540 -0.2403995 0.9146354 7 Li 1.0323034 -0.0450890 -0.0230142 -0.0367938 1.1933519 0.3533532 -0.1067540 0.2403995 0.9146354 8 Li 1.0323034 -0.0450890 0.0230142 -0.0367938 1.1933519 -0.3533532 0.1067540 -0.2403995 0.9146354 9 Li 1.0587647 0.0000000 -0.1243112 0.0000000 0.8282386 0.0000000 0.1952325 0.0000000 1.2153913 10 Li 1.0587647 0.0000000 0.1243112 0.0000000 0.8282386 0.0000000 -0.1952325 0.0000000 1.2153913 11 Li 1.0587647 0.0000000 0.1243112 0.0000000 0.8282386 0.0000000 -0.1952325 0.0000000 1.2153913 12 Li 1.0587647 0.0000000 -0.1243112 0.0000000 0.8282386 0.0000000 0.1952325 0.0000000 1.2153913 13 B 0.0559901 0.0000000 -0.8411691 0.0000000 2.3215700 0.0000000 -0.9913589 0.0000000 1.9350180 14 B 0.0559901 0.0000000 0.8411691 0.0000000 2.3215700 0.0000000 0.9913589 0.0000000 1.9350180 15 B 0.0559901 0.0000000 0.8411691 0.0000000 2.3215700 0.0000000 0.9913589 0.0000000 1.9350180 16 B 0.0559901 0.0000000 -0.8411691 0.0000000 2.3215700 0.0000000 -0.9913589 0.0000000 1.9350180 17 S -1.0405858 0.1301745 0.1711814 0.1538554 -2.0901734 -0.3291667 0.0885186 -0.3943864 -1.4238029 18 S -1.0405858 0.1301745 -0.1711814 0.1538554 -2.0901734 0.3291667 -0.0885186 0.3943864 -1.4238029 19 S -1.0405858 -0.1301745 -0.1711814 -0.1538554 -2.0901734 -0.3291667 -0.0885186 -0.3943864 -1.4238029 20 S -1.0405858 -0.1301745 0.1711814 -0.1538554 -2.0901734 0.3291667 0.0885186 0.3943864 -1.4238029 21 S -1.0405858 0.1301745 0.1711814 0.1538554 -2.0901734 -0.3291667 0.0885186 -0.3943864 -1.4238029 22 S -1.0405858 0.1301745 -0.1711814 0.1538554 -2.0901734 0.3291667 -0.0885186 0.3943864 -1.4238029 23 S -1.0405858 -0.1301745 -0.1711814 -0.1538554 -2.0901734 -0.3291667 -0.0885186 -0.3943864 -1.4238029 24 S -1.0405858 -0.1301745 0.1711814 -0.1538554 -2.0901734 0.3291667 0.0885186 0.3943864 -1.4238029 25 S -1.0981902 0.0000000 0.3487449 0.0000000 -1.3561656 0.0000000 0.3458655 0.0000000 -2.1320743 26 S -1.0981902 0.0000000 -0.3487449 0.0000000 -1.3561656 0.0000000 -0.3458655 0.0000000 -2.1320743 27 S -1.0981902 0.0000000 -0.3487449 0.0000000 -1.3561656 0.0000000 -0.3458655 0.0000000 -2.1320743 28 S -1.0981902 0.0000000 0.3487449 0.0000000 -1.3561656 0.0000000 0.3458655 0.0000000 -2.1320743 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1884 Number of blocks in projector: 1884 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 260 Use standard eigh solver. Tree of FC basis block matrices: - (1884, 1851), data: False |-- (260, 255), data: True |-- (260, 255), data: True |-- (260, 255), data: True |-- (320, 316), data: True |-- (320, 316), data: True |-- (464, 454), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.003 Solver_block: 200 / 480 - Time: 3.029 Solver_block: 300 / 480 - Time: 3.028 Solver_block: 400 / 480 - Time: 3.027 Solver_block: 480 / 480 - Time: 2.446 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.583 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1884 Number of blocks in projector: 1884 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 260 Use standard eigh solver. Tree of FC basis block matrices: - (1884, 1851), data: False |-- (260, 255), data: True |-- (260, 255), data: True |-- (260, 255), data: True |-- (320, 316), data: True |-- (320, 316), data: True |-- (464, 454), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:58:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:58:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.081621139999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.955102390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.108205220000002 Atomic positions (fractional): 1 Li 0.67280811373330 0.99251400066125 0.59639277645623 6.941 2 Li 0.82719188626670 0.00748599933875 0.09639277645623 6.941 3 Li 0.17280811373330 0.50748599933875 0.90360722354377 6.941 4 Li 0.32719188626670 0.49251400066125 0.40360722354377 6.941 5 Li 0.32719188626670 0.00748599933875 0.40360722354377 6.941 6 Li 0.17280811373330 0.99251400066125 0.90360722354377 6.941 7 Li 0.82719188626670 0.49251400066125 0.09639277645623 6.941 8 Li 0.67280811373330 0.50748599933875 0.59639277645623 6.941 9 Li 0.99169778230544 0.75000000000000 0.55172965785489 6.941 10 Li 0.50830221769456 0.25000000000000 0.05172965785489 6.941 11 Li 0.49169778230544 0.75000000000000 0.94827034214511 6.941 12 Li 0.00830221769456 0.25000000000000 0.44827034214512 6.941 13 B 0.88434795759069 0.25000000000000 0.87979257649087 10.811 14 B 0.61565204240931 0.75000000000000 0.37979257649088 10.811 15 B 0.38434795759069 0.25000000000000 0.62020742350913 10.811 16 B 0.11565204240931 0.75000000000000 0.12020742350912 10.811 17 S 0.92643016277933 0.09201576816122 0.73773208781810 32.065 18 S 0.57356983722067 0.90798423183878 0.23773208781810 32.065 19 S 0.42643016277933 0.40798423183878 0.76226791218190 32.065 20 S 0.07356983722067 0.59201576816122 0.26226791218190 32.065 21 S 0.07356983722067 0.90798423183878 0.26226791218190 32.065 22 S 0.42643016277933 0.09201576816122 0.76226791218190 32.065 23 S 0.57356983722067 0.59201576816122 0.23773208781810 32.065 24 S 0.92643016277933 0.40798423183878 0.73773208781810 32.065 25 S 0.19985696873875 0.75000000000000 0.84218981735715 32.065 26 S 0.30014303126124 0.25000000000000 0.34218981735715 32.065 27 S 0.69985696873876 0.75000000000000 0.65781018264285 32.065 28 S 0.80014303126124 0.25000000000000 0.15781018264285 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.163242279999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.955102390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.216410440000004 Atomic positions (fractional): 1 Li 0.33640405686665 0.99251400066125 0.29819638822812 6.941 > 1 2 Li 0.83640405686665 0.99251400066125 0.29819638822812 6.941 > 1 3 Li 0.33640405686665 0.99251400066125 0.79819638822812 6.941 > 1 4 Li 0.83640405686665 0.99251400066125 0.79819638822812 6.941 > 1 5 Li 0.41359594313335 0.00748599933875 0.04819638822812 6.941 > 5 6 Li 0.91359594313335 0.00748599933875 0.04819638822812 6.941 > 5 7 Li 0.41359594313335 0.00748599933875 0.54819638822812 6.941 > 5 8 Li 0.91359594313335 0.00748599933875 0.54819638822812 6.941 > 5 9 Li 0.08640405686665 0.50748599933875 0.45180361177188 6.941 > 9 10 Li 0.58640405686665 0.50748599933875 0.45180361177188 6.941 > 9 11 Li 0.08640405686665 0.50748599933875 0.95180361177188 6.941 > 9 12 Li 0.58640405686665 0.50748599933875 0.95180361177188 6.941 > 9 13 Li 0.16359594313335 0.49251400066125 0.20180361177188 6.941 > 13 14 Li 0.66359594313335 0.49251400066125 0.20180361177188 6.941 > 13 15 Li 0.16359594313335 0.49251400066125 0.70180361177188 6.941 > 13 16 Li 0.66359594313335 0.49251400066125 0.70180361177188 6.941 > 13 17 Li 0.16359594313335 0.00748599933875 0.20180361177188 6.941 > 17 18 Li 0.66359594313335 0.00748599933875 0.20180361177188 6.941 > 17 19 Li 0.16359594313335 0.00748599933875 0.70180361177188 6.941 > 17 20 Li 0.66359594313335 0.00748599933875 0.70180361177188 6.941 > 17 21 Li 0.08640405686665 0.99251400066125 0.45180361177188 6.941 > 21 22 Li 0.58640405686665 0.99251400066125 0.45180361177188 6.941 > 21 23 Li 0.08640405686665 0.99251400066125 0.95180361177188 6.941 > 21 24 Li 0.58640405686665 0.99251400066125 0.95180361177188 6.941 > 21 25 Li 0.41359594313335 0.49251400066125 0.04819638822812 6.941 > 25 26 Li 0.91359594313335 0.49251400066125 0.04819638822812 6.941 > 25 27 Li 0.41359594313335 0.49251400066125 0.54819638822812 6.941 > 25 28 Li 0.91359594313335 0.49251400066125 0.54819638822812 6.941 > 25 29 Li 0.33640405686665 0.50748599933875 0.29819638822812 6.941 > 29 30 Li 0.83640405686665 0.50748599933875 0.29819638822812 6.941 > 29 31 Li 0.33640405686665 0.50748599933875 0.79819638822812 6.941 > 29 32 Li 0.83640405686665 0.50748599933875 0.79819638822812 6.941 > 29 33 Li 0.49584889115272 0.75000000000000 0.27586482892744 6.941 > 33 34 Li 0.99584889115272 0.75000000000000 0.27586482892744 6.941 > 33 35 Li 0.49584889115272 0.75000000000000 0.77586482892744 6.941 > 33 36 Li 0.99584889115272 0.75000000000000 0.77586482892744 6.941 > 33 37 Li 0.25415110884728 0.25000000000000 0.02586482892744 6.941 > 37 38 Li 0.75415110884728 0.25000000000000 0.02586482892744 6.941 > 37 39 Li 0.25415110884728 0.25000000000000 0.52586482892744 6.941 > 37 40 Li 0.75415110884728 0.25000000000000 0.52586482892744 6.941 > 37 41 Li 0.24584889115272 0.75000000000000 0.47413517107256 6.941 > 41 42 Li 0.74584889115272 0.75000000000000 0.47413517107256 6.941 > 41 43 Li 0.24584889115272 0.75000000000000 0.97413517107256 6.941 > 41 44 Li 0.74584889115272 0.75000000000000 0.97413517107256 6.941 > 41 45 Li 0.00415110884728 0.25000000000000 0.22413517107256 6.941 > 45 46 Li 0.50415110884728 0.25000000000000 0.22413517107256 6.941 > 45 47 Li 0.00415110884728 0.25000000000000 0.72413517107256 6.941 > 45 48 Li 0.50415110884728 0.25000000000000 0.72413517107256 6.941 > 45 49 B 0.44217397879534 0.25000000000000 0.43989628824544 10.811 > 49 50 B 0.94217397879534 0.25000000000000 0.43989628824544 10.811 > 49 51 B 0.44217397879534 0.25000000000000 0.93989628824544 10.811 > 49 52 B 0.94217397879534 0.25000000000000 0.93989628824544 10.811 > 49 53 B 0.30782602120466 0.75000000000000 0.18989628824544 10.811 > 53 54 B 0.80782602120466 0.75000000000000 0.18989628824544 10.811 > 53 55 B 0.30782602120466 0.75000000000000 0.68989628824544 10.811 > 53 56 B 0.80782602120466 0.75000000000000 0.68989628824544 10.811 > 53 57 B 0.19217397879534 0.25000000000000 0.31010371175456 10.811 > 57 58 B 0.69217397879534 0.25000000000000 0.31010371175456 10.811 > 57 59 B 0.19217397879534 0.25000000000000 0.81010371175456 10.811 > 57 60 B 0.69217397879534 0.25000000000000 0.81010371175456 10.811 > 57 61 B 0.05782602120466 0.75000000000000 0.06010371175456 10.811 > 61 62 B 0.55782602120466 0.75000000000000 0.06010371175456 10.811 > 61 63 B 0.05782602120466 0.75000000000000 0.56010371175456 10.811 > 61 64 B 0.55782602120466 0.75000000000000 0.56010371175456 10.811 > 61 65 S 0.46321508138966 0.09201576816122 0.36886604390905 32.065 > 65 66 S 0.96321508138966 0.09201576816122 0.36886604390905 32.065 > 65 67 S 0.46321508138966 0.09201576816122 0.86886604390905 32.065 > 65 68 S 0.96321508138966 0.09201576816122 0.86886604390905 32.065 > 65 69 S 0.28678491861034 0.90798423183878 0.11886604390905 32.065 > 69 70 S 0.78678491861034 0.90798423183878 0.11886604390905 32.065 > 69 71 S 0.28678491861034 0.90798423183878 0.61886604390905 32.065 > 69 72 S 0.78678491861034 0.90798423183878 0.61886604390905 32.065 > 69 73 S 0.21321508138966 0.40798423183878 0.38113395609095 32.065 > 73 74 S 0.71321508138966 0.40798423183878 0.38113395609095 32.065 > 73 75 S 0.21321508138966 0.40798423183878 0.88113395609095 32.065 > 73 76 S 0.71321508138966 0.40798423183878 0.88113395609095 32.065 > 73 77 S 0.03678491861034 0.59201576816122 0.13113395609095 32.065 > 77 78 S 0.53678491861034 0.59201576816122 0.13113395609095 32.065 > 77 79 S 0.03678491861034 0.59201576816122 0.63113395609095 32.065 > 77 80 S 0.53678491861034 0.59201576816122 0.63113395609095 32.065 > 77 81 S 0.03678491861034 0.90798423183878 0.13113395609095 32.065 > 81 82 S 0.53678491861034 0.90798423183878 0.13113395609095 32.065 > 81 83 S 0.03678491861034 0.90798423183878 0.63113395609095 32.065 > 81 84 S 0.53678491861034 0.90798423183878 0.63113395609095 32.065 > 81 85 S 0.21321508138966 0.09201576816122 0.38113395609095 32.065 > 85 86 S 0.71321508138966 0.09201576816122 0.38113395609095 32.065 > 85 87 S 0.21321508138966 0.09201576816122 0.88113395609095 32.065 > 85 88 S 0.71321508138966 0.09201576816122 0.88113395609095 32.065 > 85 89 S 0.28678491861034 0.59201576816122 0.11886604390905 32.065 > 89 90 S 0.78678491861034 0.59201576816122 0.11886604390905 32.065 > 89 91 S 0.28678491861034 0.59201576816122 0.61886604390905 32.065 > 89 92 S 0.78678491861034 0.59201576816122 0.61886604390905 32.065 > 89 93 S 0.46321508138966 0.40798423183878 0.36886604390905 32.065 > 93 94 S 0.96321508138966 0.40798423183878 0.36886604390905 32.065 > 93 95 S 0.46321508138966 0.40798423183878 0.86886604390905 32.065 > 93 96 S 0.96321508138966 0.40798423183878 0.86886604390905 32.065 > 93 97 S 0.09992848436938 0.75000000000000 0.42109490867857 32.065 > 97 98 S 0.59992848436938 0.75000000000000 0.42109490867857 32.065 > 97 99 S 0.09992848436938 0.75000000000000 0.92109490867857 32.065 > 97 100 S 0.59992848436938 0.75000000000000 0.92109490867857 32.065 > 97 101 S 0.15007151563062 0.25000000000000 0.17109490867857 32.065 > 101 102 S 0.65007151563062 0.25000000000000 0.17109490867857 32.065 > 101 103 S 0.15007151563062 0.25000000000000 0.67109490867857 32.065 > 101 104 S 0.65007151563062 0.25000000000000 0.67109490867857 32.065 > 101 105 S 0.34992848436938 0.75000000000000 0.32890509132143 32.065 > 105 106 S 0.84992848436938 0.75000000000000 0.32890509132143 32.065 > 105 107 S 0.34992848436938 0.75000000000000 0.82890509132143 32.065 > 105 108 S 0.84992848436938 0.75000000000000 0.82890509132143 32.065 > 105 109 S 0.40007151563062 0.25000000000000 0.07890509132143 32.065 > 109 110 S 0.90007151563062 0.25000000000000 0.07890509132143 32.065 > 109 111 S 0.40007151563062 0.25000000000000 0.57890509132143 32.065 > 109 112 S 0.90007151563062 0.25000000000000 0.57890509132143 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3945480 0.0000000 0.0000000 0.0000000 4.3808734 0.0000000 0.0000000 0.0000000 4.1260286 -------------------------- Born effective charges -------------------------- 1 Li 1.0323034 0.0450890 0.0230142 0.0367938 1.1933519 0.3533532 0.1067540 0.2403995 0.9146354 2 Li 1.0323034 0.0450890 -0.0230142 0.0367938 1.1933519 -0.3533532 -0.1067540 -0.2403995 0.9146354 3 Li 1.0323034 -0.0450890 -0.0230142 -0.0367938 1.1933519 0.3533532 -0.1067540 0.2403995 0.9146354 4 Li 1.0323034 -0.0450890 0.0230142 -0.0367938 1.1933519 -0.3533532 0.1067540 -0.2403995 0.9146354 5 Li 1.0323034 0.0450890 0.0230142 0.0367938 1.1933519 0.3533532 0.1067540 0.2403995 0.9146354 6 Li 1.0323034 0.0450890 -0.0230142 0.0367938 1.1933519 -0.3533532 -0.1067540 -0.2403995 0.9146354 7 Li 1.0323034 -0.0450890 -0.0230142 -0.0367938 1.1933519 0.3533532 -0.1067540 0.2403995 0.9146354 8 Li 1.0323034 -0.0450890 0.0230142 -0.0367938 1.1933519 -0.3533532 0.1067540 -0.2403995 0.9146354 9 Li 1.0587647 0.0000000 -0.1243112 0.0000000 0.8282386 0.0000000 0.1952325 0.0000000 1.2153913 10 Li 1.0587647 0.0000000 0.1243112 0.0000000 0.8282386 0.0000000 -0.1952325 0.0000000 1.2153913 11 Li 1.0587647 0.0000000 0.1243112 0.0000000 0.8282386 0.0000000 -0.1952325 0.0000000 1.2153913 12 Li 1.0587647 0.0000000 -0.1243112 0.0000000 0.8282386 0.0000000 0.1952325 0.0000000 1.2153913 13 B 0.0559901 0.0000000 -0.8411691 0.0000000 2.3215700 0.0000000 -0.9913589 0.0000000 1.9350180 14 B 0.0559901 0.0000000 0.8411691 0.0000000 2.3215700 0.0000000 0.9913589 0.0000000 1.9350180 15 B 0.0559901 0.0000000 0.8411691 0.0000000 2.3215700 0.0000000 0.9913589 0.0000000 1.9350180 16 B 0.0559901 0.0000000 -0.8411691 0.0000000 2.3215700 0.0000000 -0.9913589 0.0000000 1.9350180 17 S -1.0405858 0.1301745 0.1711814 0.1538554 -2.0901734 -0.3291667 0.0885186 -0.3943864 -1.4238029 18 S -1.0405858 0.1301745 -0.1711814 0.1538554 -2.0901734 0.3291667 -0.0885186 0.3943864 -1.4238029 19 S -1.0405858 -0.1301745 -0.1711814 -0.1538554 -2.0901734 -0.3291667 -0.0885186 -0.3943864 -1.4238029 20 S -1.0405858 -0.1301745 0.1711814 -0.1538554 -2.0901734 0.3291667 0.0885186 0.3943864 -1.4238029 21 S -1.0405858 0.1301745 0.1711814 0.1538554 -2.0901734 -0.3291667 0.0885186 -0.3943864 -1.4238029 22 S -1.0405858 0.1301745 -0.1711814 0.1538554 -2.0901734 0.3291667 -0.0885186 0.3943864 -1.4238029 23 S -1.0405858 -0.1301745 -0.1711814 -0.1538554 -2.0901734 -0.3291667 -0.0885186 -0.3943864 -1.4238029 24 S -1.0405858 -0.1301745 0.1711814 -0.1538554 -2.0901734 0.3291667 0.0885186 0.3943864 -1.4238029 25 S -1.0981902 0.0000000 0.3487449 0.0000000 -1.3561656 0.0000000 0.3458655 0.0000000 -2.1320743 26 S -1.0981902 0.0000000 -0.3487449 0.0000000 -1.3561656 0.0000000 -0.3458655 0.0000000 -2.1320743 27 S -1.0981902 0.0000000 -0.3487449 0.0000000 -1.3561656 0.0000000 -0.3458655 0.0000000 -2.1320743 28 S -1.0981902 0.0000000 0.3487449 0.0000000 -1.3561656 0.0000000 0.3458655 0.0000000 -2.1320743 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yzy) -0.00000002 (yzy) -0.00000002 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:58:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:58:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.081621139999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.955102390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.108205220000002 Atomic positions (fractional): 1 Li 0.67280811373330 0.99251400066125 0.59639277645623 6.941 2 Li 0.82719188626670 0.00748599933875 0.09639277645623 6.941 3 Li 0.17280811373330 0.50748599933875 0.90360722354377 6.941 4 Li 0.32719188626670 0.49251400066125 0.40360722354377 6.941 5 Li 0.32719188626670 0.00748599933875 0.40360722354377 6.941 6 Li 0.17280811373330 0.99251400066125 0.90360722354377 6.941 7 Li 0.82719188626670 0.49251400066125 0.09639277645623 6.941 8 Li 0.67280811373330 0.50748599933875 0.59639277645623 6.941 9 Li 0.99169778230544 0.75000000000000 0.55172965785489 6.941 10 Li 0.50830221769456 0.25000000000000 0.05172965785489 6.941 11 Li 0.49169778230544 0.75000000000000 0.94827034214511 6.941 12 Li 0.00830221769456 0.25000000000000 0.44827034214512 6.941 13 B 0.88434795759069 0.25000000000000 0.87979257649087 10.811 14 B 0.61565204240931 0.75000000000000 0.37979257649088 10.811 15 B 0.38434795759069 0.25000000000000 0.62020742350913 10.811 16 B 0.11565204240931 0.75000000000000 0.12020742350912 10.811 17 S 0.92643016277933 0.09201576816122 0.73773208781810 32.065 18 S 0.57356983722067 0.90798423183878 0.23773208781810 32.065 19 S 0.42643016277933 0.40798423183878 0.76226791218190 32.065 20 S 0.07356983722067 0.59201576816122 0.26226791218190 32.065 21 S 0.07356983722067 0.90798423183878 0.26226791218190 32.065 22 S 0.42643016277933 0.09201576816122 0.76226791218190 32.065 23 S 0.57356983722067 0.59201576816122 0.23773208781810 32.065 24 S 0.92643016277933 0.40798423183878 0.73773208781810 32.065 25 S 0.19985696873875 0.75000000000000 0.84218981735715 32.065 26 S 0.30014303126124 0.25000000000000 0.34218981735715 32.065 27 S 0.69985696873876 0.75000000000000 0.65781018264285 32.065 28 S 0.80014303126124 0.25000000000000 0.15781018264285 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.163242279999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.955102390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.216410440000004 Atomic positions (fractional): 1 Li 0.33640405686665 0.99251400066125 0.29819638822812 6.941 > 1 2 Li 0.83640405686665 0.99251400066125 0.29819638822812 6.941 > 1 3 Li 0.33640405686665 0.99251400066125 0.79819638822812 6.941 > 1 4 Li 0.83640405686665 0.99251400066125 0.79819638822812 6.941 > 1 5 Li 0.41359594313335 0.00748599933875 0.04819638822812 6.941 > 5 6 Li 0.91359594313335 0.00748599933875 0.04819638822812 6.941 > 5 7 Li 0.41359594313335 0.00748599933875 0.54819638822812 6.941 > 5 8 Li 0.91359594313335 0.00748599933875 0.54819638822812 6.941 > 5 9 Li 0.08640405686665 0.50748599933875 0.45180361177188 6.941 > 9 10 Li 0.58640405686665 0.50748599933875 0.45180361177188 6.941 > 9 11 Li 0.08640405686665 0.50748599933875 0.95180361177188 6.941 > 9 12 Li 0.58640405686665 0.50748599933875 0.95180361177188 6.941 > 9 13 Li 0.16359594313335 0.49251400066125 0.20180361177188 6.941 > 13 14 Li 0.66359594313335 0.49251400066125 0.20180361177188 6.941 > 13 15 Li 0.16359594313335 0.49251400066125 0.70180361177188 6.941 > 13 16 Li 0.66359594313335 0.49251400066125 0.70180361177188 6.941 > 13 17 Li 0.16359594313335 0.00748599933875 0.20180361177188 6.941 > 17 18 Li 0.66359594313335 0.00748599933875 0.20180361177188 6.941 > 17 19 Li 0.16359594313335 0.00748599933875 0.70180361177188 6.941 > 17 20 Li 0.66359594313335 0.00748599933875 0.70180361177188 6.941 > 17 21 Li 0.08640405686665 0.99251400066125 0.45180361177188 6.941 > 21 22 Li 0.58640405686665 0.99251400066125 0.45180361177188 6.941 > 21 23 Li 0.08640405686665 0.99251400066125 0.95180361177188 6.941 > 21 24 Li 0.58640405686665 0.99251400066125 0.95180361177188 6.941 > 21 25 Li 0.41359594313335 0.49251400066125 0.04819638822812 6.941 > 25 26 Li 0.91359594313335 0.49251400066125 0.04819638822812 6.941 > 25 27 Li 0.41359594313335 0.49251400066125 0.54819638822812 6.941 > 25 28 Li 0.91359594313335 0.49251400066125 0.54819638822812 6.941 > 25 29 Li 0.33640405686665 0.50748599933875 0.29819638822812 6.941 > 29 30 Li 0.83640405686665 0.50748599933875 0.29819638822812 6.941 > 29 31 Li 0.33640405686665 0.50748599933875 0.79819638822812 6.941 > 29 32 Li 0.83640405686665 0.50748599933875 0.79819638822812 6.941 > 29 33 Li 0.49584889115272 0.75000000000000 0.27586482892744 6.941 > 33 34 Li 0.99584889115272 0.75000000000000 0.27586482892744 6.941 > 33 35 Li 0.49584889115272 0.75000000000000 0.77586482892744 6.941 > 33 36 Li 0.99584889115272 0.75000000000000 0.77586482892744 6.941 > 33 37 Li 0.25415110884728 0.25000000000000 0.02586482892744 6.941 > 37 38 Li 0.75415110884728 0.25000000000000 0.02586482892744 6.941 > 37 39 Li 0.25415110884728 0.25000000000000 0.52586482892744 6.941 > 37 40 Li 0.75415110884728 0.25000000000000 0.52586482892744 6.941 > 37 41 Li 0.24584889115272 0.75000000000000 0.47413517107256 6.941 > 41 42 Li 0.74584889115272 0.75000000000000 0.47413517107256 6.941 > 41 43 Li 0.24584889115272 0.75000000000000 0.97413517107256 6.941 > 41 44 Li 0.74584889115272 0.75000000000000 0.97413517107256 6.941 > 41 45 Li 0.00415110884728 0.25000000000000 0.22413517107256 6.941 > 45 46 Li 0.50415110884728 0.25000000000000 0.22413517107256 6.941 > 45 47 Li 0.00415110884728 0.25000000000000 0.72413517107256 6.941 > 45 48 Li 0.50415110884728 0.25000000000000 0.72413517107256 6.941 > 45 49 B 0.44217397879534 0.25000000000000 0.43989628824544 10.811 > 49 50 B 0.94217397879534 0.25000000000000 0.43989628824544 10.811 > 49 51 B 0.44217397879534 0.25000000000000 0.93989628824544 10.811 > 49 52 B 0.94217397879534 0.25000000000000 0.93989628824544 10.811 > 49 53 B 0.30782602120466 0.75000000000000 0.18989628824544 10.811 > 53 54 B 0.80782602120466 0.75000000000000 0.18989628824544 10.811 > 53 55 B 0.30782602120466 0.75000000000000 0.68989628824544 10.811 > 53 56 B 0.80782602120466 0.75000000000000 0.68989628824544 10.811 > 53 57 B 0.19217397879534 0.25000000000000 0.31010371175456 10.811 > 57 58 B 0.69217397879534 0.25000000000000 0.31010371175456 10.811 > 57 59 B 0.19217397879534 0.25000000000000 0.81010371175456 10.811 > 57 60 B 0.69217397879534 0.25000000000000 0.81010371175456 10.811 > 57 61 B 0.05782602120466 0.75000000000000 0.06010371175456 10.811 > 61 62 B 0.55782602120466 0.75000000000000 0.06010371175456 10.811 > 61 63 B 0.05782602120466 0.75000000000000 0.56010371175456 10.811 > 61 64 B 0.55782602120466 0.75000000000000 0.56010371175456 10.811 > 61 65 S 0.46321508138966 0.09201576816122 0.36886604390905 32.065 > 65 66 S 0.96321508138966 0.09201576816122 0.36886604390905 32.065 > 65 67 S 0.46321508138966 0.09201576816122 0.86886604390905 32.065 > 65 68 S 0.96321508138966 0.09201576816122 0.86886604390905 32.065 > 65 69 S 0.28678491861034 0.90798423183878 0.11886604390905 32.065 > 69 70 S 0.78678491861034 0.90798423183878 0.11886604390905 32.065 > 69 71 S 0.28678491861034 0.90798423183878 0.61886604390905 32.065 > 69 72 S 0.78678491861034 0.90798423183878 0.61886604390905 32.065 > 69 73 S 0.21321508138966 0.40798423183878 0.38113395609095 32.065 > 73 74 S 0.71321508138966 0.40798423183878 0.38113395609095 32.065 > 73 75 S 0.21321508138966 0.40798423183878 0.88113395609095 32.065 > 73 76 S 0.71321508138966 0.40798423183878 0.88113395609095 32.065 > 73 77 S 0.03678491861034 0.59201576816122 0.13113395609095 32.065 > 77 78 S 0.53678491861034 0.59201576816122 0.13113395609095 32.065 > 77 79 S 0.03678491861034 0.59201576816122 0.63113395609095 32.065 > 77 80 S 0.53678491861034 0.59201576816122 0.63113395609095 32.065 > 77 81 S 0.03678491861034 0.90798423183878 0.13113395609095 32.065 > 81 82 S 0.53678491861034 0.90798423183878 0.13113395609095 32.065 > 81 83 S 0.03678491861034 0.90798423183878 0.63113395609095 32.065 > 81 84 S 0.53678491861034 0.90798423183878 0.63113395609095 32.065 > 81 85 S 0.21321508138966 0.09201576816122 0.38113395609095 32.065 > 85 86 S 0.71321508138966 0.09201576816122 0.38113395609095 32.065 > 85 87 S 0.21321508138966 0.09201576816122 0.88113395609095 32.065 > 85 88 S 0.71321508138966 0.09201576816122 0.88113395609095 32.065 > 85 89 S 0.28678491861034 0.59201576816122 0.11886604390905 32.065 > 89 90 S 0.78678491861034 0.59201576816122 0.11886604390905 32.065 > 89 91 S 0.28678491861034 0.59201576816122 0.61886604390905 32.065 > 89 92 S 0.78678491861034 0.59201576816122 0.61886604390905 32.065 > 89 93 S 0.46321508138966 0.40798423183878 0.36886604390905 32.065 > 93 94 S 0.96321508138966 0.40798423183878 0.36886604390905 32.065 > 93 95 S 0.46321508138966 0.40798423183878 0.86886604390905 32.065 > 93 96 S 0.96321508138966 0.40798423183878 0.86886604390905 32.065 > 93 97 S 0.09992848436938 0.75000000000000 0.42109490867857 32.065 > 97 98 S 0.59992848436938 0.75000000000000 0.42109490867857 32.065 > 97 99 S 0.09992848436938 0.75000000000000 0.92109490867857 32.065 > 97 100 S 0.59992848436938 0.75000000000000 0.92109490867857 32.065 > 97 101 S 0.15007151563062 0.25000000000000 0.17109490867857 32.065 > 101 102 S 0.65007151563062 0.25000000000000 0.17109490867857 32.065 > 101 103 S 0.15007151563062 0.25000000000000 0.67109490867857 32.065 > 101 104 S 0.65007151563062 0.25000000000000 0.67109490867857 32.065 > 101 105 S 0.34992848436938 0.75000000000000 0.32890509132143 32.065 > 105 106 S 0.84992848436938 0.75000000000000 0.32890509132143 32.065 > 105 107 S 0.34992848436938 0.75000000000000 0.82890509132143 32.065 > 105 108 S 0.84992848436938 0.75000000000000 0.82890509132143 32.065 > 105 109 S 0.40007151563062 0.25000000000000 0.07890509132143 32.065 > 109 110 S 0.90007151563062 0.25000000000000 0.07890509132143 32.065 > 109 111 S 0.40007151563062 0.25000000000000 0.57890509132143 32.065 > 109 112 S 0.90007151563062 0.25000000000000 0.57890509132143 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3945480 0.0000000 0.0000000 0.0000000 4.3808734 0.0000000 0.0000000 0.0000000 4.1260286 -------------------------- Born effective charges -------------------------- 1 Li 1.0323034 0.0450890 0.0230142 0.0367938 1.1933519 0.3533532 0.1067540 0.2403995 0.9146354 2 Li 1.0323034 0.0450890 -0.0230142 0.0367938 1.1933519 -0.3533532 -0.1067540 -0.2403995 0.9146354 3 Li 1.0323034 -0.0450890 -0.0230142 -0.0367938 1.1933519 0.3533532 -0.1067540 0.2403995 0.9146354 4 Li 1.0323034 -0.0450890 0.0230142 -0.0367938 1.1933519 -0.3533532 0.1067540 -0.2403995 0.9146354 5 Li 1.0323034 0.0450890 0.0230142 0.0367938 1.1933519 0.3533532 0.1067540 0.2403995 0.9146354 6 Li 1.0323034 0.0450890 -0.0230142 0.0367938 1.1933519 -0.3533532 -0.1067540 -0.2403995 0.9146354 7 Li 1.0323034 -0.0450890 -0.0230142 -0.0367938 1.1933519 0.3533532 -0.1067540 0.2403995 0.9146354 8 Li 1.0323034 -0.0450890 0.0230142 -0.0367938 1.1933519 -0.3533532 0.1067540 -0.2403995 0.9146354 9 Li 1.0587647 0.0000000 -0.1243112 0.0000000 0.8282386 0.0000000 0.1952325 0.0000000 1.2153913 10 Li 1.0587647 0.0000000 0.1243112 0.0000000 0.8282386 0.0000000 -0.1952325 0.0000000 1.2153913 11 Li 1.0587647 0.0000000 0.1243112 0.0000000 0.8282386 0.0000000 -0.1952325 0.0000000 1.2153913 12 Li 1.0587647 0.0000000 -0.1243112 0.0000000 0.8282386 0.0000000 0.1952325 0.0000000 1.2153913 13 B 0.0559901 0.0000000 -0.8411691 0.0000000 2.3215700 0.0000000 -0.9913589 0.0000000 1.9350180 14 B 0.0559901 0.0000000 0.8411691 0.0000000 2.3215700 0.0000000 0.9913589 0.0000000 1.9350180 15 B 0.0559901 0.0000000 0.8411691 0.0000000 2.3215700 0.0000000 0.9913589 0.0000000 1.9350180 16 B 0.0559901 0.0000000 -0.8411691 0.0000000 2.3215700 0.0000000 -0.9913589 0.0000000 1.9350180 17 S -1.0405858 0.1301745 0.1711814 0.1538554 -2.0901734 -0.3291667 0.0885186 -0.3943864 -1.4238029 18 S -1.0405858 0.1301745 -0.1711814 0.1538554 -2.0901734 0.3291667 -0.0885186 0.3943864 -1.4238029 19 S -1.0405858 -0.1301745 -0.1711814 -0.1538554 -2.0901734 -0.3291667 -0.0885186 -0.3943864 -1.4238029 20 S -1.0405858 -0.1301745 0.1711814 -0.1538554 -2.0901734 0.3291667 0.0885186 0.3943864 -1.4238029 21 S -1.0405858 0.1301745 0.1711814 0.1538554 -2.0901734 -0.3291667 0.0885186 -0.3943864 -1.4238029 22 S -1.0405858 0.1301745 -0.1711814 0.1538554 -2.0901734 0.3291667 -0.0885186 0.3943864 -1.4238029 23 S -1.0405858 -0.1301745 -0.1711814 -0.1538554 -2.0901734 -0.3291667 -0.0885186 -0.3943864 -1.4238029 24 S -1.0405858 -0.1301745 0.1711814 -0.1538554 -2.0901734 0.3291667 0.0885186 0.3943864 -1.4238029 25 S -1.0981902 0.0000000 0.3487449 0.0000000 -1.3561656 0.0000000 0.3458655 0.0000000 -2.1320743 26 S -1.0981902 0.0000000 -0.3487449 0.0000000 -1.3561656 0.0000000 -0.3458655 0.0000000 -2.1320743 27 S -1.0981902 0.0000000 -0.3487449 0.0000000 -1.3561656 0.0000000 -0.3458655 0.0000000 -2.1320743 28 S -1.0981902 0.0000000 0.3487449 0.0000000 -1.3561656 0.0000000 0.3458655 0.0000000 -2.1320743 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yzy) -0.00000002 (yzy) -0.00000002 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 6 5 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 297, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.513 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 1.996 ( 0.000 0.000 0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.130 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.906 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 4.974 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.510 ( 0.000 0.000 0.000) 0.000 6.555 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 0.000) 0.000 6.850 ( 0.000 0.000 0.000) 0.000 7.290 ( 0.000 0.000 0.000) 0.000 7.508 ( 0.000 0.000 0.000) 0.000 7.764 ( 0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 8.070 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 8.295 ( 0.000 0.000 0.000) 0.000 8.331 ( 0.000 0.000 0.000) 0.000 8.333 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.831 ( 0.000 0.000 0.000) 0.000 9.134 ( 0.000 0.000 0.000) 0.000 9.348 ( 0.000 0.000 0.000) 0.000 9.561 ( 0.000 0.000 0.000) 0.000 9.644 ( 0.000 0.000 0.000) 0.000 9.672 ( 0.000 0.000 0.000) 0.000 9.797 ( 0.000 0.000 0.000) 0.000 9.881 ( 0.000 0.000 0.000) 0.000 10.084 ( 0.000 0.000 0.000) 0.000 10.117 ( 0.000 0.000 0.000) 0.000 10.216 ( 0.000 0.000 0.000) 0.000 10.352 ( 0.000 0.000 0.000) 0.000 10.372 ( 0.000 0.000 0.000) 0.000 10.479 ( 0.000 0.000 0.000) 0.000 10.489 ( 0.000 0.000 0.000) 0.000 10.573 ( 0.000 0.000 0.000) 0.000 10.652 ( 0.000 0.000 0.000) 0.000 10.770 ( 0.000 0.000 0.000) 0.000 11.017 ( 0.000 0.000 0.000) 0.000 11.062 ( 0.000 0.000 0.000) 0.000 11.224 ( 0.000 0.000 0.000) 0.000 11.251 ( 0.000 0.000 0.000) 0.000 11.401 ( 0.000 0.000 0.000) 0.000 11.600 ( 0.000 0.000 0.000) 0.000 12.341 ( 0.000 0.000 0.000) 0.000 12.463 ( 0.000 0.000 0.000) 0.000 13.154 ( 0.000 0.000 0.000) 0.000 13.173 ( 0.000 0.000 0.000) 0.000 13.184 ( 0.000 0.000 0.000) 0.000 13.363 ( 0.000 0.000 0.000) 0.000 13.778 ( 0.000 0.000 0.000) 0.000 13.785 ( 0.000 0.000 0.000) 0.000 13.824 ( 0.000 0.000 0.000) 0.000 13.968 ( 0.000 0.000 0.000) 0.000 24.134 ( 0.000 0.000 0.000) 0.000 24.540 ( 0.000 0.000 0.000) 0.000 24.576 ( 0.000 0.000 0.000) 0.000 24.609 ( 0.000 0.000 0.000) 0.000 24.841 ( 0.000 0.000 0.000) 0.000 24.878 ( 0.000 0.000 0.000) 0.000 25.545 ( 0.000 0.000 0.000) 0.000 25.615 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 21.271 0.000 0.000) 21.271 0.512 ( 24.401 0.000 0.000) 24.401 1.008 ( 47.507 0.000 0.000) 47.507 1.530 ( 7.499 0.000 0.000) 7.499 1.961 ( -6.969 0.000 0.000) 6.969 1.991 ( -11.863 0.000 0.000) 11.863 2.255 ( 3.886 0.000 0.000) 3.886 2.289 ( 14.941 0.000 0.000) 14.941 2.303 ( 21.030 0.000 0.000) 21.030 2.453 ( 1.787 0.000 0.000) 1.787 2.601 ( -0.379 0.000 0.000) 0.379 3.064 ( 14.186 0.000 0.000) 14.186 3.412 ( 2.782 0.000 0.000) 2.782 3.611 ( -3.877 0.000 0.000) 3.877 3.668 ( 12.461 0.000 0.000) 12.461 3.700 ( 2.968 0.000 0.000) 2.968 3.742 ( 2.924 0.000 0.000) 2.924 4.162 ( 6.976 0.000 0.000) 6.976 4.233 ( -20.280 0.000 0.000) 20.280 4.612 ( -6.724 0.000 0.000) 6.724 4.734 ( -15.089 0.000 0.000) 15.089 4.819 ( -11.564 0.000 0.000) 11.564 4.847 ( -7.170 0.000 0.000) 7.170 5.018 ( -4.488 0.000 0.000) 4.488 6.298 ( 0.573 0.000 0.000) 0.573 6.368 ( 2.461 0.000 0.000) 2.461 6.505 ( -0.455 0.000 0.000) 0.455 6.529 ( -2.411 0.000 0.000) 2.411 6.746 ( 0.544 0.000 0.000) 0.544 6.852 ( 0.029 0.000 0.000) 0.029 7.328 ( 3.451 0.000 0.000) 3.451 7.516 ( 0.791 0.000 0.000) 0.791 7.764 ( -1.449 0.000 0.000) 1.449 7.902 ( -6.674 0.000 0.000) 6.674 7.918 ( -0.264 0.000 0.000) 0.264 8.074 ( 0.275 0.000 0.000) 0.275 8.174 ( 7.414 0.000 0.000) 7.414 8.221 ( -0.191 0.000 0.000) 0.191 8.264 ( -2.341 0.000 0.000) 2.341 8.310 ( -1.475 0.000 0.000) 1.475 8.338 ( 0.095 0.000 0.000) 0.095 8.756 ( 4.395 0.000 0.000) 4.395 8.858 ( -4.768 0.000 0.000) 4.768 9.115 ( -1.818 0.000 0.000) 1.818 9.341 ( -0.568 0.000 0.000) 0.568 9.493 ( -4.159 0.000 0.000) 4.159 9.737 ( 6.716 0.000 0.000) 6.716 9.762 ( 7.982 0.000 0.000) 7.982 9.929 ( 4.286 0.000 0.000) 4.286 10.083 ( 0.010 0.000 0.000) 0.010 10.131 ( 1.039 0.000 0.000) 1.039 10.211 ( -0.360 0.000 0.000) 0.360 10.296 ( -2.854 0.000 0.000) 2.854 10.445 ( 3.857 0.000 0.000) 3.857 10.462 ( -1.054 0.000 0.000) 1.054 10.489 ( 0.110 0.000 0.000) 0.110 10.556 ( -6.464 0.000 0.000) 6.464 10.611 ( 3.139 0.000 0.000) 3.139 10.659 ( -0.723 0.000 0.000) 0.723 10.987 ( -2.783 0.000 0.000) 2.783 11.079 ( 1.648 0.000 0.000) 1.648 11.222 ( -0.262 0.000 0.000) 0.262 11.248 ( 0.016 0.000 0.000) 0.016 11.420 ( 1.798 0.000 0.000) 1.798 11.569 ( -2.949 0.000 0.000) 2.949 11.737 ( -2.070 0.000 0.000) 2.070 12.461 ( -0.137 0.000 0.000) 0.137 12.578 ( -2.583 0.000 0.000) 2.583 13.151 ( -0.284 0.000 0.000) 0.284 13.169 ( -0.482 0.000 0.000) 0.482 13.212 ( -1.756 0.000 0.000) 1.756 13.326 ( -3.028 0.000 0.000) 3.028 13.802 ( 1.381 0.000 0.000) 1.381 13.807 ( 1.752 0.000 0.000) 1.752 13.868 ( 4.528 0.000 0.000) 4.528 14.322 ( -2.929 0.000 0.000) 2.929 24.160 ( 2.481 0.000 0.000) 2.481 24.531 ( -0.639 0.000 0.000) 0.639 24.568 ( -0.695 0.000 0.000) 0.695 24.571 ( -3.545 0.000 0.000) 3.545 24.880 ( 3.862 0.000 0.000) 3.862 24.941 ( 5.822 0.000 0.000) 5.822 25.550 ( -6.055 0.000 0.000) 6.055 25.661 ( -5.210 0.000 0.000) 5.210 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 21.225 0.000 0.000) 21.225 0.997 ( 22.364 0.000 0.000) 22.364 1.685 ( -17.210 0.000 0.000) 17.210 1.754 ( -13.183 0.000 0.000) 13.183 1.832 ( 18.684 0.000 0.000) 18.684 1.914 ( 38.377 0.000 0.000) 38.377 2.315 ( -0.552 0.000 0.000) 0.552 2.501 ( 4.140 0.000 0.000) 4.140 2.580 ( -2.192 0.000 0.000) 2.192 2.623 ( 7.132 0.000 0.000) 7.132 2.638 ( 17.924 0.000 0.000) 17.924 3.454 ( 22.530 0.000 0.000) 22.530 3.553 ( 11.929 0.000 0.000) 11.929 3.595 ( 3.588 0.000 0.000) 3.588 3.724 ( -28.462 0.000 0.000) 28.462 3.790 ( 0.645 0.000 0.000) 0.645 3.814 ( 8.204 0.000 0.000) 8.204 4.005 ( 19.021 0.000 0.000) 19.021 4.324 ( -19.061 0.000 0.000) 19.061 4.339 ( 10.272 0.000 0.000) 10.272 4.363 ( -19.054 0.000 0.000) 19.054 4.447 ( -22.107 0.000 0.000) 22.107 4.692 ( -10.526 0.000 0.000) 10.526 4.857 ( -10.928 0.000 0.000) 10.928 6.323 ( 2.087 0.000 0.000) 2.087 6.419 ( 2.275 0.000 0.000) 2.275 6.463 ( -3.757 0.000 0.000) 3.757 6.489 ( -1.154 0.000 0.000) 1.154 6.770 ( 1.794 0.000 0.000) 1.794 6.845 ( -0.867 0.000 0.000) 0.867 7.425 ( 5.700 0.000 0.000) 5.700 7.543 ( 2.065 0.000 0.000) 2.065 7.681 ( -5.691 0.000 0.000) 5.691 7.744 ( -7.705 0.000 0.000) 7.705 7.972 ( 4.011 0.000 0.000) 4.011 8.074 ( -0.494 0.000 0.000) 0.494 8.207 ( -0.999 0.000 0.000) 0.999 8.217 ( -1.821 0.000 0.000) 1.821 8.296 ( 0.341 0.000 0.000) 0.341 8.332 ( -0.672 0.000 0.000) 0.672 8.345 ( 8.937 0.000 0.000) 8.937 8.721 ( -8.171 0.000 0.000) 8.171 8.863 ( 5.533 0.000 0.000) 5.533 9.059 ( -3.515 0.000 0.000) 3.515 9.334 ( 0.168 0.000 0.000) 0.168 9.413 ( -3.487 0.000 0.000) 3.487 9.893 ( 7.977 0.000 0.000) 7.977 9.957 ( 9.835 0.000 0.000) 9.835 10.036 ( 5.578 0.000 0.000) 5.578 10.079 ( -0.725 0.000 0.000) 0.725 10.150 ( 0.657 0.000 0.000) 0.657 10.205 ( -0.126 0.000 0.000) 0.126 10.232 ( -3.582 0.000 0.000) 3.582 10.391 ( -8.901 0.000 0.000) 8.901 10.452 ( 0.373 0.000 0.000) 0.373 10.497 ( 0.623 0.000 0.000) 0.623 10.504 ( 1.650 0.000 0.000) 1.650 10.624 ( -2.638 0.000 0.000) 2.638 10.691 ( 4.587 0.000 0.000) 4.587 10.907 ( -4.857 0.000 0.000) 4.857 11.124 ( 2.533 0.000 0.000) 2.533 11.209 ( -1.099 0.000 0.000) 1.099 11.274 ( 2.897 0.000 0.000) 2.897 11.473 ( 3.327 0.000 0.000) 3.327 11.483 ( -5.220 0.000 0.000) 5.220 11.665 ( -4.775 0.000 0.000) 4.775 12.460 ( 0.191 0.000 0.000) 0.191 12.517 ( -2.839 0.000 0.000) 2.839 13.145 ( -0.234 0.000 0.000) 0.234 13.152 ( -0.845 0.000 0.000) 0.845 13.194 ( 0.096 0.000 0.000) 0.096 13.261 ( -2.964 0.000 0.000) 2.964 13.828 ( 1.221 0.000 0.000) 1.221 13.840 ( 1.116 0.000 0.000) 1.116 13.988 ( 6.444 0.000 0.000) 6.444 14.238 ( -5.074 0.000 0.000) 5.074 24.234 ( 4.695 0.000 0.000) 4.695 24.472 ( -5.756 0.000 0.000) 5.756 24.523 ( -0.015 0.000 0.000) 0.015 24.550 ( -1.009 0.000 0.000) 1.009 24.998 ( 7.410 0.000 0.000) 7.410 25.101 ( 9.260 0.000 0.000) 9.260 25.383 ( -9.599 0.000 0.000) 9.599 25.511 ( -8.960 0.000 0.000) 8.960 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -19.890 0.000 0.000) 19.890 1.299 ( 19.890 0.000 0.000) 19.890 1.423 ( -18.644 0.000 0.000) 18.644 1.423 ( 18.644 0.000 0.000) 18.644 2.176 ( -12.662 0.000 0.000) 12.662 2.176 ( 12.662 0.000 0.000) 12.662 2.456 ( -12.829 0.000 0.000) 12.829 2.456 ( 12.829 0.000 0.000) 12.829 2.617 ( -5.242 0.000 0.000) 5.242 2.617 ( 5.242 0.000 0.000) 5.242 3.106 ( -28.982 0.000 0.000) 28.982 3.106 ( 28.982 0.000 0.000) 28.982 3.728 ( -6.740 0.000 0.000) 6.740 3.728 ( 6.740 0.000 0.000) 6.740 3.900 ( -20.396 0.000 0.000) 20.396 3.900 ( 20.396 0.000 0.000) 20.396 3.953 ( -24.908 0.000 0.000) 24.908 3.953 ( 24.908 0.000 0.000) 24.908 4.025 ( -12.670 0.000 0.000) 12.670 4.025 ( 12.670 0.000 0.000) 12.670 4.396 ( -17.646 0.000 0.000) 17.646 4.396 ( 17.646 0.000 0.000) 17.646 4.592 ( -13.699 0.000 0.000) 13.699 4.592 ( 13.699 0.000 0.000) 13.699 6.384 ( -3.620 0.000 0.000) 3.620 6.384 ( 3.620 0.000 0.000) 3.620 6.459 ( -1.658 0.000 0.000) 1.658 6.459 ( 1.658 0.000 0.000) 1.658 6.813 ( -2.083 0.000 0.000) 2.083 6.813 ( 2.083 0.000 0.000) 2.083 7.553 ( -6.468 0.000 0.000) 6.468 7.553 ( 6.468 0.000 0.000) 6.468 7.612 ( -4.821 0.000 0.000) 4.821 7.612 ( 4.821 0.000 0.000) 4.821 8.044 ( -2.566 0.000 0.000) 2.566 8.044 ( 2.566 0.000 0.000) 2.566 8.196 ( -0.172 0.000 0.000) 0.172 8.196 ( 0.172 0.000 0.000) 0.172 8.313 ( -1.045 0.000 0.000) 1.045 8.313 ( 1.045 0.000 0.000) 1.045 8.536 ( -9.426 0.000 0.000) 9.426 8.536 ( 9.426 0.000 0.000) 9.426 8.972 ( -4.882 0.000 0.000) 4.882 8.972 ( 4.882 0.000 0.000) 4.882 9.355 ( -1.950 0.000 0.000) 1.950 9.355 ( 1.950 0.000 0.000) 1.950 10.032 ( -4.474 0.000 0.000) 4.474 10.032 ( 4.474 0.000 0.000) 4.474 10.132 ( -6.598 0.000 0.000) 6.598 10.132 ( 6.598 0.000 0.000) 6.598 10.139 ( -3.009 0.000 0.000) 3.009 10.139 ( 3.009 0.000 0.000) 3.009 10.232 ( -4.572 0.000 0.000) 4.572 10.232 ( 4.572 0.000 0.000) 4.572 10.478 ( -1.747 0.000 0.000) 1.747 10.478 ( 1.747 0.000 0.000) 1.747 10.558 ( -3.310 0.000 0.000) 3.310 10.558 ( 3.310 0.000 0.000) 3.310 10.797 ( -5.488 0.000 0.000) 5.488 10.797 ( 5.488 0.000 0.000) 5.488 11.175 ( -2.180 0.000 0.000) 2.180 11.175 ( 2.180 0.000 0.000) 2.180 11.366 ( -5.626 0.000 0.000) 5.626 11.366 ( 5.626 0.000 0.000) 5.626 11.559 ( -4.968 0.000 0.000) 4.968 11.559 ( 4.968 0.000 0.000) 4.968 12.474 ( -1.284 0.000 0.000) 1.284 12.474 ( 1.284 0.000 0.000) 1.284 13.143 ( -0.123 0.000 0.000) 0.123 13.143 ( 0.123 0.000 0.000) 0.123 13.212 ( -1.670 0.000 0.000) 1.670 13.212 ( 1.670 0.000 0.000) 1.670 13.847 ( -0.406 0.000 0.000) 0.406 13.847 ( 0.406 0.000 0.000) 0.406 14.120 ( -6.220 0.000 0.000) 6.220 14.120 ( 6.220 0.000 0.000) 6.220 24.347 ( -6.038 0.000 0.000) 6.038 24.347 ( 6.038 0.000 0.000) 6.038 24.531 ( -0.738 0.000 0.000) 0.738 24.531 ( 0.738 0.000 0.000) 0.738 25.178 ( -9.772 0.000 0.000) 9.772 25.178 ( 9.772 0.000 0.000) 9.772 25.307 ( -10.357 0.000 0.000) 10.357 25.307 ( 10.357 0.000 0.000) 10.357 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 0.000 24.004 0.000) 24.004 0.593 ( 0.000 29.017 0.000) 29.017 1.043 ( 0.000 49.224 0.000) 49.224 1.463 ( 0.000 -5.590 0.000) 5.590 1.969 ( 0.000 0.117 0.000) 0.117 2.016 ( 0.000 -15.730 0.000) 15.730 2.075 ( 0.000 6.996 0.000) 6.996 2.095 ( 0.000 0.131 0.000) 0.131 2.212 ( 0.000 7.110 0.000) 7.110 2.411 ( 0.000 0.141 0.000) 0.141 2.808 ( 0.000 14.826 0.000) 14.826 2.882 ( 0.000 -4.460 0.000) 4.460 3.290 ( 0.000 -4.952 0.000) 4.952 3.449 ( 0.000 -10.936 0.000) 10.936 3.559 ( 0.000 -8.560 0.000) 8.560 3.617 ( 0.000 -8.281 0.000) 8.281 3.812 ( 0.000 7.600 0.000) 7.600 4.053 ( 0.000 -1.800 0.000) 1.800 4.517 ( 0.000 1.200 0.000) 1.200 4.655 ( 0.000 4.379 0.000) 4.379 4.861 ( 0.000 -4.891 0.000) 4.891 4.889 ( 0.000 -1.402 0.000) 1.402 4.932 ( 0.000 -3.494 0.000) 3.494 5.017 ( 0.000 -3.453 0.000) 3.453 6.329 ( 0.000 2.952 0.000) 2.952 6.358 ( 0.000 1.681 0.000) 1.681 6.521 ( 0.000 1.105 0.000) 1.105 6.569 ( 0.000 1.064 0.000) 1.064 6.906 ( 0.000 5.698 0.000) 5.698 7.161 ( 0.000 0.758 0.000) 0.758 7.314 ( 0.000 1.669 0.000) 1.669 7.487 ( 0.000 -1.037 0.000) 1.037 7.610 ( 0.000 -12.628 0.000) 12.628 7.852 ( 0.000 -5.338 0.000) 5.338 7.889 ( 0.000 -5.250 0.000) 5.250 7.976 ( 0.000 -8.871 0.000) 8.871 8.262 ( 0.000 4.286 0.000) 4.286 8.284 ( 0.000 11.139 0.000) 11.139 8.299 ( 0.000 0.442 0.000) 0.442 8.360 ( 0.000 -1.259 0.000) 1.259 8.370 ( 0.000 2.509 0.000) 2.509 8.682 ( 0.000 -2.279 0.000) 2.279 8.860 ( 0.000 2.706 0.000) 2.706 9.078 ( 0.000 -5.372 0.000) 5.372 9.533 ( 0.000 12.609 0.000) 12.609 9.557 ( 0.000 -0.300 0.000) 0.300 9.619 ( 0.000 -2.200 0.000) 2.200 9.712 ( 0.000 3.741 0.000) 3.741 9.833 ( 0.000 3.405 0.000) 3.405 9.883 ( 0.000 0.068 0.000) 0.068 10.062 ( 0.000 -2.247 0.000) 2.247 10.115 ( 0.000 -0.542 0.000) 0.542 10.213 ( 0.000 0.003 0.000) 0.003 10.306 ( 0.000 -4.510 0.000) 4.510 10.340 ( 0.000 -2.868 0.000) 2.868 10.376 ( 0.000 -4.994 0.000) 4.994 10.585 ( 0.000 3.977 0.000) 3.977 10.593 ( 0.000 1.641 0.000) 1.641 10.686 ( 0.000 2.636 0.000) 2.636 10.771 ( 0.000 -0.040 0.000) 0.040 11.067 ( 0.000 0.598 0.000) 0.598 11.228 ( 0.000 0.353 0.000) 0.353 11.250 ( 0.000 -0.150 0.000) 0.150 11.278 ( 0.000 -7.587 0.000) 7.587 11.771 ( 0.000 12.408 0.000) 12.408 12.394 ( 0.000 5.166 0.000) 5.166 12.415 ( 0.000 -4.807 0.000) 4.807 12.924 ( 0.000 -8.344 0.000) 8.344 13.164 ( 0.000 1.058 0.000) 1.058 13.196 ( 0.000 1.155 0.000) 1.155 13.215 ( 0.000 2.241 0.000) 2.241 13.331 ( 0.000 -2.946 0.000) 2.946 13.780 ( 0.000 0.219 0.000) 0.219 13.803 ( 0.000 1.774 0.000) 1.774 13.816 ( 0.000 -0.695 0.000) 0.695 13.951 ( 0.000 -1.600 0.000) 1.600 24.203 ( 0.000 6.491 0.000) 6.491 24.549 ( 0.000 0.498 0.000) 0.498 24.667 ( 0.000 8.743 0.000) 8.743 24.804 ( 0.000 -3.187 0.000) 3.187 24.853 ( 0.000 -2.354 0.000) 2.354 25.436 ( 0.000 -9.339 0.000) 9.339 25.647 ( 0.000 1.802 0.000) 1.802 25.739 ( 0.000 -0.906 0.000) 0.906 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 15.457 21.579 0.000) 26.544 0.910 ( 19.559 22.988 0.000) 30.183 1.275 ( 27.558 29.833 0.000) 40.614 1.542 ( 10.742 -0.291 0.000) 10.746 1.973 ( -4.145 3.148 0.000) 5.205 2.044 ( -1.750 -8.801 0.000) 8.973 2.111 ( -3.995 2.455 0.000) 4.689 2.226 ( 15.201 -3.632 0.000) 15.628 2.363 ( 18.715 3.595 0.000) 19.057 2.445 ( 1.824 -0.761 0.000) 1.977 2.789 ( -1.777 14.277 0.000) 14.387 2.998 ( 10.232 -8.360 0.000) 13.213 3.300 ( 3.426 -2.003 0.000) 3.968 3.531 ( 6.922 -13.059 0.000) 14.780 3.639 ( 8.539 -3.666 0.000) 9.293 3.646 ( 2.110 -8.903 0.000) 9.150 3.796 ( 0.492 8.474 0.000) 8.489 4.129 ( 6.185 -3.064 0.000) 6.902 4.264 ( -19.342 3.042 0.000) 19.579 4.644 ( -7.481 1.810 0.000) 7.697 4.668 ( -15.245 -4.951 0.000) 16.029 4.799 ( -12.211 -2.114 0.000) 12.393 4.830 ( -4.835 -1.037 0.000) 4.945 4.996 ( -3.989 -2.406 0.000) 4.659 6.329 ( 0.422 2.741 0.000) 2.773 6.386 ( 2.162 1.406 0.000) 2.579 6.524 ( -0.648 1.346 0.000) 1.493 6.543 ( -1.523 1.203 0.000) 1.941 6.902 ( -0.430 5.204 0.000) 5.221 6.958 ( -10.244 10.471 0.000) 14.648 7.338 ( 2.081 -0.177 0.000) 2.088 7.513 ( 1.575 0.538 0.000) 1.665 7.592 ( -1.942 -13.166 0.000) 13.308 7.849 ( -3.684 -3.929 0.000) 5.385 7.871 ( 1.638 -4.061 0.000) 4.379 7.967 ( -0.089 -9.006 0.000) 9.007 8.266 ( 0.101 3.616 0.000) 3.617 8.274 ( -2.052 0.749 0.000) 2.184 8.309 ( 2.795 9.633 0.000) 10.030 8.328 ( -0.814 -0.842 0.000) 1.172 8.348 ( -1.569 2.783 0.000) 3.195 8.719 ( 3.247 -3.459 0.000) 4.744 8.852 ( -2.914 0.427 0.000) 2.945 9.012 ( -3.602 -4.770 0.000) 5.977 9.506 ( -2.753 1.389 0.000) 3.084 9.515 ( -1.354 11.791 0.000) 11.869 9.706 ( 6.269 -2.905 0.000) 6.909 9.800 ( 7.734 3.308 0.000) 8.411 9.932 ( 4.397 0.234 0.000) 4.403 10.058 ( -0.324 -2.580 0.000) 2.601 10.102 ( 4.136 -3.793 0.000) 5.612 10.210 ( -0.285 0.055 0.000) 0.290 10.224 ( 10.446 -7.899 0.000) 13.096 10.300 ( 1.723 -4.252 0.000) 4.587 10.371 ( -0.276 -4.761 0.000) 4.769 10.373 ( 3.339 -7.977 0.000) 8.647 10.570 ( -0.364 3.643 0.000) 3.661 10.626 ( 2.226 1.209 0.000) 2.533 10.687 ( 0.025 2.988 0.000) 2.988 10.755 ( -1.002 -1.125 0.000) 1.507 11.084 ( 1.558 0.530 0.000) 1.645 11.227 ( -0.219 0.252 0.000) 0.334 11.244 ( -0.386 0.088 0.000) 0.396 11.286 ( 0.575 -7.560 0.000) 7.582 11.759 ( -1.011 13.002 0.000) 13.042 12.223 ( -14.534 15.442 0.000) 21.206 12.413 ( -0.134 -4.818 0.000) 4.820 12.679 ( -11.559 3.816 0.000) 12.173 13.155 ( -0.832 -0.265 0.000) 0.873 13.159 ( -0.416 0.918 0.000) 1.008 13.211 ( -1.667 0.000 0.000) 1.667 13.301 ( -2.547 -2.371 0.000) 3.480 13.803 ( 1.492 0.179 0.000) 1.503 13.826 ( 1.756 1.852 0.000) 2.552 13.855 ( 3.945 -1.181 0.000) 4.118 14.113 ( 6.158 -10.707 0.000) 12.352 24.233 ( 2.927 6.858 0.000) 7.457 24.549 ( 0.147 1.436 0.000) 1.444 24.653 ( -1.250 8.343 0.000) 8.436 24.843 ( 3.825 -3.374 0.000) 5.101 24.910 ( 5.250 -2.952 0.000) 6.023 25.086 ( -23.824 19.019 0.000) 30.485 25.551 ( -7.275 -0.330 0.000) 7.282 25.603 ( -6.611 -3.475 0.000) 7.469 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 18.700 13.522 0.000) 23.077 1.218 ( 14.111 26.727 0.000) 30.223 1.806 ( -10.565 4.856 0.000) 11.627 1.822 ( -13.890 11.952 0.000) 18.324 1.880 ( 19.036 3.764 0.000) 19.405 1.984 ( 31.377 6.940 0.000) 32.136 2.186 ( 4.926 -11.465 0.000) 12.479 2.455 ( -1.321 -2.484 0.000) 2.814 2.509 ( 10.388 -6.447 0.000) 12.226 2.712 ( 14.759 2.203 0.000) 14.922 2.737 ( -3.268 11.871 0.000) 12.313 3.247 ( 13.635 -13.091 0.000) 18.902 3.512 ( 17.129 1.255 0.000) 17.175 3.631 ( -9.078 -10.769 0.000) 14.085 3.711 ( 9.990 -6.871 0.000) 12.125 3.806 ( -20.417 4.520 0.000) 20.911 3.836 ( 10.100 9.720 0.000) 14.018 3.981 ( 17.574 -2.735 0.000) 17.786 4.290 ( 9.924 -4.658 0.000) 10.963 4.293 ( -18.928 -6.472 0.000) 20.004 4.362 ( -18.129 2.431 0.000) 18.291 4.460 ( -19.321 1.078 0.000) 19.351 4.681 ( -10.977 -0.738 0.000) 11.002 4.835 ( -11.378 -2.151 0.000) 11.580 6.354 ( 2.051 2.725 0.000) 3.410 6.433 ( 2.207 0.957 0.000) 2.406 6.477 ( -2.931 1.826 0.000) 3.453 6.521 ( -1.718 1.647 0.000) 2.380 6.843 ( -1.610 6.554 0.000) 6.749 6.885 ( -1.297 4.235 0.000) 4.429 7.391 ( 2.939 -4.747 0.000) 5.584 7.532 ( -3.619 -12.072 0.000) 12.603 7.556 ( 2.800 2.452 0.000) 3.722 7.744 ( -5.724 -0.375 0.000) 5.736 7.920 ( 2.588 -4.464 0.000) 5.160 7.970 ( 0.087 -8.396 0.000) 8.396 8.237 ( -1.242 1.381 0.000) 1.858 8.253 ( -1.326 3.612 0.000) 3.847 8.324 ( 0.146 -0.829 0.000) 0.842 8.325 ( -0.146 2.124 0.000) 2.129 8.409 ( 6.429 5.514 0.000) 8.470 8.736 ( -7.579 1.477 0.000) 7.721 8.799 ( 4.129 -5.627 0.000) 6.980 8.947 ( -2.992 -6.704 0.000) 7.342 9.463 ( -1.254 4.700 0.000) 4.864 9.482 ( -1.633 10.704 0.000) 10.828 9.851 ( 7.280 -4.090 0.000) 8.350 9.987 ( 9.226 2.489 0.000) 9.556 10.043 ( -1.494 -3.640 0.000) 3.934 10.045 ( 6.169 0.973 0.000) 6.246 10.142 ( 0.983 -0.454 0.000) 1.083 10.204 ( -0.093 0.099 0.000) 0.135 10.236 ( -2.392 0.355 0.000) 2.418 10.310 ( -3.035 -4.130 0.000) 5.126 10.374 ( 0.766 -4.637 0.000) 4.700 10.455 ( 0.271 -7.763 0.000) 7.768 10.579 ( 1.392 3.755 0.000) 4.004 10.673 ( -1.608 3.044 0.000) 3.442 10.679 ( 2.820 -0.954 0.000) 2.977 10.752 ( 0.203 -5.638 0.000) 5.642 11.126 ( 2.410 0.362 0.000) 2.437 11.213 ( -1.254 0.317 0.000) 1.293 11.246 ( 0.849 -0.417 0.000) 0.946 11.293 ( -0.098 -6.775 0.000) 6.776 11.744 ( 0.017 14.344 0.000) 14.344 11.946 ( -10.810 17.484 0.000) 20.556 12.414 ( 0.419 -4.669 0.000) 4.688 12.517 ( -5.452 -1.026 0.000) 5.547 13.143 ( -0.387 -0.515 0.000) 0.644 13.149 ( -0.481 0.543 0.000) 0.725 13.188 ( -0.214 -0.586 0.000) 0.623 13.244 ( -2.605 -1.549 0.000) 3.031 13.834 ( 1.507 0.652 0.000) 1.642 13.857 ( 0.937 1.721 0.000) 1.960 13.959 ( 5.597 -2.538 0.000) 6.145 14.144 ( -1.908 -7.365 0.000) 7.608 24.324 ( 5.865 8.139 0.000) 10.032 24.560 ( 1.012 3.378 0.000) 3.526 24.616 ( -2.633 7.622 0.000) 8.064 24.714 ( -12.761 16.429 0.000) 20.803 24.962 ( 7.659 -3.345 0.000) 8.358 25.055 ( 8.467 -4.333 0.000) 9.511 25.369 ( -10.248 -1.757 0.000) 10.398 25.441 ( -8.915 -6.019 0.000) 10.757 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -16.616 8.806 0.000) 18.805 1.514 ( 16.616 8.806 0.000) 18.805 1.520 ( -14.952 19.121 0.000) 24.273 1.520 ( 14.952 19.121 0.000) 24.273 2.190 ( -7.741 -1.476 0.000) 7.880 2.190 ( 7.741 -1.476 0.000) 7.880 2.376 ( -7.101 -5.775 0.000) 9.153 2.376 ( 7.101 -5.775 0.000) 9.153 2.656 ( -4.806 3.929 0.000) 6.207 2.656 ( 4.806 3.929 0.000) 6.207 3.136 ( -27.743 1.218 0.000) 27.769 3.136 ( 27.743 1.218 0.000) 27.769 3.546 ( -13.431 -9.338 0.000) 16.358 3.546 ( 13.431 -9.338 0.000) 16.358 3.917 ( -19.278 -4.360 0.000) 19.765 3.917 ( 19.278 -4.360 0.000) 19.765 3.975 ( -16.937 -0.308 0.000) 16.939 3.975 ( 16.937 -0.308 0.000) 16.939 4.088 ( -14.580 8.181 0.000) 16.719 4.088 ( 14.580 8.181 0.000) 16.719 4.371 ( -18.289 -2.391 0.000) 18.445 4.371 ( 18.289 -2.391 0.000) 18.445 4.553 ( -14.734 -3.631 0.000) 15.174 4.553 ( 14.734 -3.631 0.000) 15.174 6.411 ( -3.262 2.487 0.000) 4.102 6.411 ( 3.262 2.487 0.000) 4.102 6.477 ( -2.185 1.248 0.000) 2.516 6.477 ( 2.185 1.248 0.000) 2.516 6.852 ( -1.620 4.108 0.000) 4.416 6.852 ( 1.620 4.108 0.000) 4.416 7.457 ( -3.449 -9.078 0.000) 9.711 7.457 ( 3.449 -9.078 0.000) 9.711 7.633 ( -4.721 2.212 0.000) 5.214 7.633 ( 4.721 2.212 0.000) 5.214 7.961 ( -1.182 -6.498 0.000) 6.605 7.961 ( 1.182 -6.498 0.000) 6.605 8.230 ( -0.540 2.556 0.000) 2.612 8.230 ( 0.540 2.556 0.000) 2.612 8.327 ( -0.024 0.696 0.000) 0.696 8.327 ( 0.024 0.696 0.000) 0.696 8.566 ( -8.405 2.808 0.000) 8.861 8.566 ( 8.405 2.808 0.000) 8.861 8.880 ( -3.616 -6.961 0.000) 7.844 8.880 ( 3.616 -6.961 0.000) 7.844 9.457 ( -0.606 8.285 0.000) 8.307 9.457 ( 0.606 8.285 0.000) 8.307 9.981 ( -4.801 -4.783 0.000) 6.777 9.981 ( 4.801 -4.783 0.000) 6.777 10.131 ( -3.508 0.814 0.000) 3.601 10.131 ( 3.508 0.814 0.000) 3.601 10.164 ( -4.518 1.514 0.000) 4.765 10.164 ( 4.518 1.514 0.000) 4.765 10.227 ( -3.360 -0.387 0.000) 3.382 10.227 ( 3.360 -0.387 0.000) 3.382 10.411 ( -2.804 -4.927 0.000) 5.669 10.411 ( 2.804 -4.927 0.000) 5.669 10.625 ( -2.716 3.466 0.000) 4.403 10.625 ( 2.716 3.466 0.000) 4.403 10.733 ( -2.059 -4.089 0.000) 4.578 10.733 ( 2.059 -4.089 0.000) 4.578 11.176 ( -2.237 0.296 0.000) 2.257 11.176 ( 2.237 0.296 0.000) 2.257 11.275 ( -1.536 -3.697 0.000) 4.003 11.275 ( 1.536 -3.697 0.000) 4.003 11.786 ( -4.689 15.396 0.000) 16.094 11.786 ( 4.689 15.396 0.000) 16.094 12.439 ( -2.239 -3.742 0.000) 4.360 12.439 ( 2.239 -3.742 0.000) 4.360 13.142 ( -0.214 0.027 0.000) 0.216 13.142 ( 0.214 0.027 0.000) 0.216 13.201 ( -1.442 -1.011 0.000) 1.761 13.201 ( 1.442 -1.011 0.000) 1.761 13.859 ( -0.689 1.250 0.000) 1.428 13.859 ( 0.689 1.250 0.000) 1.428 14.070 ( -4.834 -4.387 0.000) 6.528 14.070 ( 4.834 -4.387 0.000) 6.528 24.474 ( -8.647 10.797 0.000) 13.833 24.474 ( 8.647 10.797 0.000) 13.833 24.591 ( -2.041 5.715 0.000) 6.068 24.591 ( 2.041 5.715 0.000) 6.068 25.151 ( -10.328 -2.715 0.000) 10.679 25.151 ( 10.328 -2.715 0.000) 10.679 25.246 ( -9.700 -5.722 0.000) 11.262 25.246 ( 9.700 -5.722 0.000) 11.262 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.000 19.842 0.000) 19.842 1.153 ( 0.000 26.331 0.000) 26.331 1.279 ( 0.000 -12.966 0.000) 12.966 1.638 ( 0.000 -21.675 0.000) 21.675 1.833 ( 0.000 20.761 0.000) 20.761 1.965 ( 0.000 -1.040 0.000) 1.040 2.190 ( 0.000 13.806 0.000) 13.806 2.252 ( 0.000 8.829 0.000) 8.829 2.353 ( 0.000 5.522 0.000) 5.522 2.412 ( 0.000 -0.755 0.000) 0.755 2.736 ( 0.000 -4.881 0.000) 4.881 3.030 ( 0.000 -26.801 0.000) 26.801 3.118 ( 0.000 15.237 0.000) 15.237 3.297 ( 0.000 4.628 0.000) 4.628 3.401 ( 0.000 -12.713 0.000) 12.713 3.418 ( 0.000 -6.577 0.000) 6.577 3.942 ( 0.000 5.025 0.000) 5.025 4.014 ( 0.000 -2.400 0.000) 2.400 4.572 ( 0.000 4.811 0.000) 4.811 4.703 ( 0.000 -6.333 0.000) 6.333 4.790 ( 0.000 4.988 0.000) 4.988 4.864 ( 0.000 -0.744 0.000) 0.744 4.873 ( 0.000 -1.748 0.000) 1.748 4.918 ( 0.000 -6.142 0.000) 6.142 6.380 ( 0.000 1.613 0.000) 1.613 6.387 ( 0.000 0.808 0.000) 0.808 6.551 ( 0.000 1.721 0.000) 1.721 6.577 ( 0.000 -0.553 0.000) 0.553 7.080 ( 0.000 11.296 0.000) 11.296 7.204 ( 0.000 3.670 0.000) 3.670 7.292 ( 0.000 -4.056 0.000) 4.056 7.338 ( 0.000 -13.748 0.000) 13.748 7.548 ( 0.000 7.736 0.000) 7.736 7.755 ( 0.000 -11.803 0.000) 11.803 7.780 ( 0.000 -1.556 0.000) 1.556 7.797 ( 0.000 -3.123 0.000) 3.123 8.313 ( 0.000 0.909 0.000) 0.909 8.334 ( 0.000 -1.208 0.000) 1.208 8.340 ( 0.000 3.569 0.000) 3.569 8.389 ( 0.000 -0.903 0.000) 0.903 8.487 ( 0.000 8.263 0.000) 8.263 8.614 ( 0.000 -4.598 0.000) 4.598 8.926 ( 0.000 3.488 0.000) 3.488 8.994 ( 0.000 -3.444 0.000) 3.444 9.554 ( 0.000 0.232 0.000) 0.232 9.574 ( 0.000 -1.799 0.000) 1.799 9.777 ( 0.000 10.787 0.000) 10.787 9.803 ( 0.000 4.594 0.000) 4.594 9.870 ( 0.000 -1.787 0.000) 1.787 9.908 ( 0.000 1.362 0.000) 1.362 9.998 ( 0.000 -2.051 0.000) 2.051 10.067 ( 0.000 -4.627 0.000) 4.627 10.228 ( 0.000 1.748 0.000) 1.748 10.246 ( 0.000 -0.454 0.000) 0.454 10.277 ( 0.000 -2.905 0.000) 2.905 10.286 ( 0.000 -3.861 0.000) 3.861 10.624 ( 0.000 1.231 0.000) 1.231 10.632 ( 0.000 0.739 0.000) 0.739 10.735 ( 0.000 2.009 0.000) 2.009 10.763 ( 0.000 -0.815 0.000) 0.815 11.091 ( 0.000 1.911 0.000) 1.911 11.153 ( 0.000 -4.588 0.000) 4.588 11.237 ( 0.000 0.465 0.000) 0.465 11.245 ( 0.000 -0.342 0.000) 0.342 12.034 ( 0.000 12.985 0.000) 12.985 12.268 ( 0.000 -9.794 0.000) 9.794 12.539 ( 0.000 8.860 0.000) 8.860 12.733 ( 0.000 -10.048 0.000) 10.048 13.199 ( 0.000 2.429 0.000) 2.429 13.223 ( 0.000 1.279 0.000) 1.279 13.238 ( 0.000 0.050 0.000) 0.050 13.261 ( 0.000 -3.617 0.000) 3.617 13.787 ( 0.000 0.513 0.000) 0.513 13.800 ( 0.000 -0.785 0.000) 0.785 13.851 ( 0.000 2.769 0.000) 2.769 13.907 ( 0.000 -2.662 0.000) 2.662 24.367 ( 0.000 8.991 0.000) 8.991 24.519 ( 0.000 -4.761 0.000) 4.761 24.756 ( 0.000 -0.245 0.000) 0.245 24.794 ( 0.000 -3.098 0.000) 3.098 24.903 ( 0.000 14.033 0.000) 14.033 25.195 ( 0.000 -14.041 0.000) 14.041 25.681 ( 0.000 1.703 0.000) 1.703 25.714 ( 0.000 -1.510 0.000) 1.510 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 23.637 13.690 0.000) 27.315 1.249 ( 8.806 23.867 0.000) 25.440 1.466 ( 17.455 -7.525 0.000) 19.008 1.700 ( 5.739 -20.439 0.000) 21.230 1.909 ( 6.518 20.850 0.000) 21.845 2.086 ( 5.001 1.503 0.000) 5.221 2.199 ( 5.601 9.625 0.000) 11.136 2.282 ( -5.929 8.417 0.000) 10.296 2.405 ( -1.309 -3.742 0.000) 3.964 2.422 ( 11.227 -1.072 0.000) 11.278 2.826 ( 9.737 -1.538 0.000) 9.857 3.103 ( -1.677 16.176 0.000) 16.263 3.113 ( 8.075 -22.401 0.000) 23.812 3.395 ( 10.562 5.646 0.000) 11.976 3.411 ( 0.285 -13.988 0.000) 13.991 3.531 ( 11.210 -6.685 0.000) 13.052 3.946 ( 1.109 6.383 0.000) 6.479 4.053 ( 3.490 -4.412 0.000) 5.626 4.357 ( -17.227 6.308 0.000) 18.345 4.510 ( -16.018 -8.414 0.000) 18.093 4.711 ( -10.458 2.474 0.000) 10.746 4.752 ( -11.049 -2.180 0.000) 11.262 4.837 ( -2.373 2.559 0.000) 3.490 4.921 ( -2.587 -4.691 0.000) 5.357 6.384 ( 0.665 2.143 0.000) 2.244 6.405 ( 1.403 0.092 0.000) 1.406 6.551 ( -0.292 1.182 0.000) 1.217 6.562 ( -1.319 0.257 0.000) 1.344 7.064 ( -1.471 10.714 0.000) 10.815 7.117 ( -6.447 7.166 0.000) 9.639 7.263 ( -2.240 -6.693 0.000) 7.058 7.315 ( -2.061 -13.692 0.000) 13.847 7.591 ( 3.115 7.034 0.000) 7.693 7.767 ( 1.178 -10.005 0.000) 10.075 7.787 ( -0.887 -1.560 0.000) 1.795 7.797 ( 1.250 -2.503 0.000) 2.798 8.290 ( -1.694 0.874 0.000) 1.906 8.309 ( -1.456 -0.971 0.000) 1.750 8.339 ( -0.202 3.156 0.000) 3.163 8.376 ( -1.150 -0.206 0.000) 1.168 8.493 ( 0.766 7.889 0.000) 7.926 8.627 ( 1.247 -5.590 0.000) 5.728 8.886 ( -3.697 2.562 0.000) 4.498 8.941 ( -4.345 -2.866 0.000) 5.205 9.553 ( 0.781 3.298 0.000) 3.389 9.631 ( 4.370 -4.156 0.000) 6.030 9.753 ( -1.653 11.475 0.000) 11.594 9.877 ( 6.617 3.707 0.000) 7.584 9.927 ( 5.222 -1.122 0.000) 5.341 9.955 ( -0.306 -8.040 0.000) 8.046 10.068 ( 6.860 1.737 0.000) 7.077 10.136 ( 6.365 -4.037 0.000) 7.537 10.225 ( -0.252 1.765 0.000) 1.783 10.251 ( 0.419 -0.778 0.000) 0.884 10.271 ( -0.498 -2.432 0.000) 2.483 10.284 ( -0.170 -3.865 0.000) 3.869 10.621 ( -0.015 1.681 0.000) 1.681 10.640 ( 0.677 -0.110 0.000) 0.686 10.735 ( -0.288 1.661 0.000) 1.685 10.753 ( -0.947 -0.196 0.000) 0.967 11.106 ( 1.446 1.845 0.000) 2.344 11.165 ( 1.122 -4.307 0.000) 4.451 11.235 ( -0.177 0.487 0.000) 0.518 11.243 ( -0.103 -0.241 0.000) 0.262 12.029 ( -0.322 13.190 0.000) 13.194 12.265 ( -0.143 -9.830 0.000) 9.831 12.450 ( -8.354 9.726 0.000) 12.822 12.628 ( -8.921 -7.248 0.000) 11.494 13.177 ( -2.593 1.744 0.000) 3.125 13.189 ( -0.822 2.109 0.000) 2.264 13.204 ( -2.462 -0.831 0.000) 2.598 13.243 ( -1.576 -3.046 0.000) 3.429 13.811 ( 1.907 0.619 0.000) 2.005 13.829 ( 2.785 -1.192 0.000) 3.030 13.879 ( 2.070 3.402 0.000) 3.982 13.964 ( 3.600 -5.225 0.000) 6.345 24.404 ( 3.516 9.089 0.000) 9.746 24.545 ( 2.507 -3.509 0.000) 4.313 24.787 ( 3.217 -0.419 0.000) 3.244 24.835 ( 3.876 -3.967 0.000) 5.546 24.877 ( -2.485 13.061 0.000) 13.295 25.126 ( -6.657 -9.590 0.000) 11.674 25.558 ( -12.464 1.521 0.000) 12.557 25.579 ( -9.239 -0.419 0.000) 9.249 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 12.977 18.917 0.000) 22.940 1.691 ( 16.379 16.656 0.000) 23.360 1.853 ( 8.358 -16.274 0.000) 18.295 1.863 ( 12.913 -1.777 0.000) 13.035 1.994 ( 0.748 8.315 0.000) 8.348 2.123 ( 2.529 0.859 0.000) 2.671 2.134 ( -8.017 12.484 0.000) 14.837 2.354 ( -3.650 -8.164 0.000) 8.943 2.441 ( 16.994 4.672 0.000) 17.624 2.650 ( 13.227 -9.658 0.000) 16.378 3.027 ( -6.485 16.325 0.000) 17.566 3.138 ( 18.526 4.713 0.000) 19.116 3.357 ( -7.606 -15.681 0.000) 17.429 3.367 ( 16.201 -14.370 0.000) 21.655 3.709 ( 17.166 6.956 0.000) 18.521 3.867 ( 19.255 -7.179 0.000) 20.549 3.943 ( -21.289 8.579 0.000) 22.953 4.024 ( 7.885 7.727 0.000) 11.040 4.129 ( -19.569 -9.281 0.000) 21.658 4.170 ( 9.105 -6.803 0.000) 11.366 4.406 ( -17.621 2.306 0.000) 17.772 4.456 ( -16.197 -2.009 0.000) 16.321 4.697 ( -11.809 2.856 0.000) 12.150 4.773 ( -11.780 -3.879 0.000) 12.402 6.412 ( 2.072 2.479 0.000) 3.231 6.441 ( 2.098 -0.400 0.000) 2.136 6.519 ( -2.368 1.771 0.000) 2.957 6.537 ( -1.677 -0.031 0.000) 1.677 7.009 ( -3.178 9.819 0.000) 10.320 7.025 ( -2.114 9.735 0.000) 9.962 7.224 ( -1.140 -10.746 0.000) 10.807 7.264 ( -2.518 -13.451 0.000) 13.685 7.652 ( 2.762 6.510 0.000) 7.072 7.755 ( -2.067 1.922 0.000) 2.822 7.799 ( 1.675 -8.017 0.000) 8.190 7.823 ( 0.889 -4.576 0.000) 4.661 8.267 ( -0.220 1.594 0.000) 1.609 8.299 ( 0.538 -1.555 0.000) 1.645 8.322 ( -1.621 2.762 0.000) 3.203 8.351 ( -1.172 -0.004 0.000) 1.172 8.534 ( 3.591 6.574 0.000) 7.491 8.669 ( 2.911 -6.791 0.000) 7.389 8.779 ( -6.433 2.674 0.000) 6.967 8.843 ( -4.863 -3.894 0.000) 6.230 9.588 ( 2.450 7.304 0.000) 7.704 9.709 ( -2.645 11.527 0.000) 11.826 9.736 ( 5.516 -6.972 0.000) 8.890 9.922 ( -2.708 -8.751 0.000) 9.160 10.041 ( 8.266 2.349 0.000) 8.593 10.063 ( 7.210 0.251 0.000) 7.214 10.157 ( 2.348 2.545 0.000) 3.463 10.219 ( -0.337 1.720 0.000) 1.752 10.243 ( 0.216 -1.660 0.000) 1.674 10.251 ( -1.095 -2.105 0.000) 2.373 10.278 ( 2.677 -4.853 0.000) 5.543 10.282 ( 0.088 -4.295 0.000) 4.296 10.631 ( 1.090 1.773 0.000) 2.082 10.660 ( 1.250 -1.080 0.000) 1.651 10.709 ( -2.058 1.474 0.000) 2.532 10.729 ( -1.480 -0.182 0.000) 1.491 11.146 ( 2.285 1.673 0.000) 2.832 11.195 ( 1.654 -3.360 0.000) 3.746 11.226 ( -0.875 0.901 0.000) 1.256 11.241 ( -0.205 -0.439 0.000) 0.485 12.030 ( 0.812 13.605 0.000) 13.629 12.242 ( -10.065 12.131 0.000) 15.763 12.269 ( 0.784 -9.769 0.000) 9.801 12.438 ( -8.263 -7.096 0.000) 10.891 13.147 ( -0.454 0.882 0.000) 0.992 13.169 ( -1.048 1.439 0.000) 1.780 13.170 ( -0.634 -1.176 0.000) 1.336 13.206 ( -1.804 -2.075 0.000) 2.749 13.857 ( 2.395 1.667 0.000) 2.919 13.902 ( 3.881 -2.760 0.000) 4.762 13.910 ( 0.578 3.613 0.000) 3.659 14.005 ( 0.123 -5.924 0.000) 5.925 24.513 ( 7.070 9.191 0.000) 11.596 24.618 ( 4.365 0.224 0.000) 4.370 24.805 ( -4.360 10.269 0.000) 11.156 24.894 ( 7.166 -1.626 0.000) 7.348 24.933 ( -11.221 1.636 0.000) 11.339 24.947 ( 6.806 -5.540 0.000) 8.775 25.303 ( -11.310 -1.842 0.000) 11.459 25.344 ( -12.467 -3.625 0.000) 12.983 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -12.086 13.889 0.000) 18.411 1.750 ( 12.086 13.889 0.000) 18.411 1.935 ( -7.827 19.123 0.000) 20.663 1.935 ( 7.827 19.123 0.000) 20.663 2.032 ( -4.103 -12.301 0.000) 12.967 2.032 ( 4.103 -12.301 0.000) 12.967 2.241 ( -7.889 -10.063 0.000) 12.787 2.241 ( 7.889 -10.063 0.000) 12.787 2.805 ( -15.134 10.794 0.000) 18.589 2.805 ( 15.134 10.794 0.000) 18.589 3.039 ( -21.638 -10.694 0.000) 24.136 3.039 ( 21.638 -10.694 0.000) 24.136 3.530 ( -19.022 7.419 0.000) 20.418 3.530 ( 19.022 7.419 0.000) 20.418 3.736 ( -18.605 -11.201 0.000) 21.716 3.736 ( 18.605 -11.201 0.000) 21.716 4.043 ( -16.449 5.622 0.000) 17.383 4.043 ( 16.449 5.622 0.000) 17.383 4.156 ( -11.851 -3.327 0.000) 12.309 4.156 ( 11.851 -3.327 0.000) 12.309 4.359 ( -19.924 3.421 0.000) 20.215 4.359 ( 19.924 3.421 0.000) 20.215 4.460 ( -17.074 -5.286 0.000) 17.873 4.460 ( 17.074 -5.286 0.000) 17.873 6.464 ( -2.793 2.253 0.000) 3.589 6.464 ( 2.793 2.253 0.000) 3.589 6.490 ( -2.548 -0.234 0.000) 2.559 6.490 ( 2.548 -0.234 0.000) 2.559 6.990 ( -0.885 9.663 0.000) 9.704 6.990 ( 0.885 9.663 0.000) 9.704 7.224 ( -1.111 -12.798 0.000) 12.847 7.224 ( 1.111 -12.798 0.000) 12.847 7.706 ( -2.538 5.012 0.000) 5.618 7.706 ( 2.538 5.012 0.000) 5.618 7.826 ( -0.680 -6.580 0.000) 6.615 7.826 ( 0.680 -6.580 0.000) 6.615 8.284 ( -1.651 2.563 0.000) 3.049 8.284 ( 1.651 2.563 0.000) 3.049 8.323 ( -1.475 -1.161 0.000) 1.877 8.323 ( 1.475 -1.161 0.000) 1.877 8.641 ( -6.403 4.513 0.000) 7.834 8.641 ( 6.403 4.513 0.000) 7.834 8.746 ( -4.423 -5.995 0.000) 7.450 8.746 ( 4.423 -5.995 0.000) 7.450 9.647 ( -3.148 10.233 0.000) 10.706 9.647 ( 3.148 10.233 0.000) 10.706 9.845 ( -4.690 -8.712 0.000) 9.894 9.845 ( 4.690 -8.712 0.000) 9.894 10.170 ( -2.483 2.767 0.000) 3.717 10.170 ( 2.483 2.767 0.000) 3.717 10.190 ( -4.582 0.872 0.000) 4.664 10.190 ( 4.582 0.872 0.000) 4.664 10.221 ( -1.289 0.254 0.000) 1.314 10.221 ( 1.289 0.254 0.000) 1.314 10.291 ( -0.745 -6.091 0.000) 6.137 10.291 ( 0.745 -6.091 0.000) 6.137 10.665 ( -2.017 1.409 0.000) 2.461 10.665 ( 2.017 1.409 0.000) 2.461 10.692 ( -1.846 -1.001 0.000) 2.100 10.692 ( 1.846 -1.001 0.000) 2.100 11.194 ( -2.157 1.448 0.000) 2.598 11.194 ( 2.157 1.448 0.000) 2.598 11.227 ( -1.234 -1.775 0.000) 2.162 11.227 ( 1.234 -1.775 0.000) 2.162 12.084 ( -4.901 13.497 0.000) 14.359 12.084 ( 4.901 13.497 0.000) 14.359 12.312 ( -3.819 -8.979 0.000) 9.758 12.312 ( 3.819 -8.979 0.000) 9.758 13.150 ( -0.666 0.895 0.000) 1.116 13.150 ( 0.666 0.895 0.000) 1.116 13.175 ( -1.005 -1.437 0.000) 1.754 13.175 ( 1.005 -1.437 0.000) 1.754 13.899 ( -1.483 2.847 0.000) 3.211 13.899 ( 1.483 2.847 0.000) 3.211 13.974 ( -2.800 -4.523 0.000) 5.320 13.974 ( 2.800 -4.523 0.000) 5.320 24.687 ( -8.655 8.286 0.000) 11.982 24.687 ( 8.655 8.286 0.000) 11.982 24.723 ( -6.649 5.165 0.000) 8.419 24.723 ( 6.649 5.165 0.000) 8.419 25.080 ( -10.548 -3.110 0.000) 10.997 25.080 ( 10.548 -3.110 0.000) 10.997 25.112 ( -9.323 -6.066 0.000) 11.122 25.112 ( 9.323 -6.066 0.000) 11.122 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.000 0.000 25.401) 25.401 0.542 ( 0.000 0.000 26.282) 26.282 1.090 ( 0.000 0.000 51.009) 51.009 1.585 ( 0.000 0.000 6.800) 6.800 1.767 ( 0.000 0.000 -15.396) 15.396 2.068 ( 0.000 0.000 8.780) 8.780 2.105 ( 0.000 0.000 0.749) 0.749 2.156 ( 0.000 0.000 2.336) 2.336 2.260 ( 0.000 0.000 -2.810) 2.810 2.429 ( 0.000 0.000 3.777) 3.777 2.688 ( 0.000 0.000 7.478) 7.478 2.902 ( 0.000 0.000 -1.173) 1.173 3.314 ( 0.000 0.000 -7.012) 7.012 3.459 ( 0.000 0.000 -6.543) 6.543 3.623 ( 0.000 0.000 -5.088) 5.088 3.647 ( 0.000 0.000 -5.059) 5.059 3.696 ( 0.000 0.000 -0.308) 0.308 3.971 ( 0.000 0.000 -8.185) 8.185 4.588 ( 0.000 0.000 2.039) 2.039 4.644 ( 0.000 0.000 3.484) 3.484 4.925 ( 0.000 0.000 1.496) 1.496 4.942 ( 0.000 0.000 3.043) 3.043 4.972 ( 0.000 0.000 -0.298) 0.298 5.085 ( 0.000 0.000 2.814) 2.814 6.344 ( 0.000 0.000 1.106) 1.106 6.571 ( 0.000 0.000 2.541) 2.541 6.642 ( 0.000 0.000 11.298) 11.298 6.675 ( 0.000 0.000 -4.449) 4.449 6.750 ( 0.000 0.000 5.464) 5.464 6.932 ( 0.000 0.000 5.872) 5.872 7.270 ( 0.000 0.000 -1.575) 1.575 7.516 ( 0.000 0.000 0.771) 0.771 7.680 ( 0.000 0.000 -7.896) 7.896 7.901 ( 0.000 0.000 -8.050) 8.050 7.958 ( 0.000 0.000 -1.635) 1.635 8.012 ( 0.000 0.000 -7.126) 7.126 8.020 ( 0.000 0.000 -5.023) 5.023 8.191 ( 0.000 0.000 -1.559) 1.559 8.224 ( 0.000 0.000 -8.008) 8.008 8.321 ( 0.000 0.000 -2.711) 2.711 8.384 ( 0.000 0.000 7.015) 7.015 8.706 ( 0.000 0.000 -0.685) 0.685 8.732 ( 0.000 0.000 -8.804) 8.804 9.114 ( 0.000 0.000 -1.709) 1.709 9.359 ( 0.000 0.000 0.663) 0.663 9.545 ( 0.000 0.000 -1.602) 1.602 9.718 ( 0.000 0.000 4.282) 4.282 9.728 ( 0.000 0.000 6.429) 6.429 9.844 ( 0.000 0.000 3.698) 3.698 9.939 ( 0.000 0.000 1.849) 1.849 10.122 ( 0.000 0.000 3.960) 3.960 10.173 ( 0.000 0.000 5.097) 5.097 10.290 ( 0.000 0.000 6.363) 6.363 10.336 ( 0.000 0.000 -1.617) 1.617 10.370 ( 0.000 0.000 -0.006) 0.006 10.478 ( 0.000 0.000 -0.163) 0.163 10.605 ( 0.000 0.000 2.850) 2.850 10.691 ( 0.000 0.000 3.237) 3.237 10.738 ( 0.000 0.000 -2.675) 2.675 11.007 ( 0.000 0.000 -0.905) 0.905 11.046 ( 0.000 0.000 -10.740) 10.740 11.082 ( 0.000 0.000 1.800) 1.800 11.264 ( 0.000 0.000 1.184) 1.184 11.543 ( 0.000 0.000 7.676) 7.676 11.585 ( 0.000 0.000 -1.466) 1.466 12.177 ( 0.000 0.000 -0.966) 0.966 12.198 ( 0.000 0.000 -10.894) 10.894 12.444 ( 0.000 0.000 -3.882) 3.882 13.140 ( 0.000 0.000 -1.383) 1.383 13.196 ( 0.000 0.000 0.733) 0.733 13.200 ( 0.000 0.000 1.243) 1.243 13.338 ( 0.000 0.000 -2.145) 2.145 13.782 ( 0.000 0.000 -0.193) 0.193 13.856 ( 0.000 0.000 2.822) 2.822 13.858 ( 0.000 0.000 0.816) 0.816 13.952 ( 0.000 0.000 -1.510) 1.510 24.177 ( 0.000 0.000 4.091) 4.091 24.632 ( 0.000 0.000 5.232) 5.232 24.675 ( 0.000 0.000 5.776) 5.776 24.838 ( 0.000 0.000 0.075) 0.075 24.914 ( 0.000 0.000 3.300) 3.300 25.562 ( 0.000 0.000 1.601) 1.601 25.599 ( 0.000 0.000 -1.584) 1.584 25.661 ( 0.000 0.000 0.351) 0.351 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 13.168 0.000 20.507) 24.371 0.796 ( 18.438 0.000 19.426) 26.783 1.421 ( 28.845 0.000 34.186) 44.729 1.588 ( 7.478 0.000 4.444) 8.699 1.975 ( 5.392 0.000 -12.223) 13.359 2.008 ( -4.186 0.000 6.457) 7.695 2.034 ( -4.192 0.000 1.469) 4.442 2.286 ( 13.307 0.000 0.592) 13.320 2.383 ( 8.581 0.000 -2.562) 8.955 2.495 ( 6.280 0.000 4.851) 7.935 2.637 ( -2.978 0.000 2.149) 3.672 3.074 ( 14.271 0.000 1.348) 14.334 3.348 ( 4.525 0.000 -4.454) 6.349 3.541 ( -4.679 0.000 -6.148) 7.726 3.589 ( 11.864 0.000 -6.909) 13.729 3.599 ( -1.573 0.000 -7.525) 7.688 3.809 ( 6.761 0.000 2.336) 7.153 4.064 ( 7.459 0.000 -8.071) 10.990 4.317 ( -18.932 0.000 6.354) 19.970 4.637 ( -6.899 0.000 1.871) 7.148 4.778 ( -13.046 0.000 3.687) 13.556 4.837 ( -12.497 0.000 0.830) 12.525 4.870 ( -6.057 0.000 2.505) 6.554 5.030 ( -5.691 0.000 1.216) 5.819 6.363 ( 1.647 0.000 0.460) 1.711 6.508 ( -4.362 0.000 8.562) 9.609 6.576 ( -3.604 0.000 2.441) 4.353 6.640 ( -4.868 0.000 11.097) 12.118 6.744 ( 3.876 0.000 4.183) 5.703 6.929 ( -0.286 0.000 5.831) 5.838 7.297 ( 2.560 0.000 -2.558) 3.619 7.529 ( 1.319 0.000 1.299) 1.851 7.674 ( -1.997 0.000 -8.079) 8.323 7.828 ( -1.323 0.000 -7.783) 7.894 7.890 ( -5.656 0.000 -1.052) 5.753 7.963 ( -1.385 0.000 -8.337) 8.451 8.138 ( 6.741 0.000 -5.092) 8.449 8.186 ( -0.319 0.000 -2.594) 2.614 8.252 ( 1.640 0.000 -4.885) 5.153 8.304 ( -1.286 0.000 -2.974) 3.240 8.338 ( -3.642 0.000 5.811) 6.857 8.721 ( -2.886 0.000 -10.577) 10.964 8.751 ( 3.933 0.000 -0.939) 4.044 9.096 ( -1.817 0.000 -1.732) 2.510 9.345 ( 0.087 0.000 0.539) 0.546 9.542 ( -2.187 0.000 2.779) 3.536 9.799 ( 6.974 0.000 3.620) 7.858 9.799 ( 5.920 0.000 4.222) 7.271 9.930 ( 4.553 0.000 0.818) 4.626 10.059 ( 5.579 0.000 -7.206) 9.113 10.136 ( 1.394 0.000 4.571) 4.778 10.215 ( 3.698 0.000 2.271) 4.340 10.285 ( -0.421 0.000 6.127) 6.141 10.297 ( -2.278 0.000 0.061) 2.279 10.426 ( 3.458 0.000 -1.566) 3.796 10.461 ( -1.085 0.000 -0.092) 1.089 10.638 ( 2.710 0.000 2.350) 3.587 10.672 ( -2.143 0.000 0.702) 2.255 10.724 ( -1.444 0.000 2.172) 2.608 10.977 ( -2.809 0.000 -0.931) 2.960 11.052 ( 0.833 0.000 -6.447) 6.500 11.109 ( 1.702 0.000 -2.886) 3.350 11.262 ( 0.091 0.000 1.273) 1.276 11.545 ( -0.055 0.000 7.334) 7.334 11.558 ( -2.619 0.000 -1.129) 2.852 11.901 ( -11.018 0.000 7.129) 13.123 12.344 ( 2.892 0.000 -12.180) 12.519 12.464 ( 0.169 0.000 -6.276) 6.279 13.136 ( -0.296 0.000 -1.382) 1.413 13.175 ( -0.955 0.000 1.230) 1.558 13.201 ( -0.468 0.000 -0.029) 0.469 13.316 ( -2.336 0.000 -1.474) 2.762 13.791 ( 1.019 0.000 -0.403) 1.096 13.833 ( 0.925 0.000 1.705) 1.940 13.883 ( 2.570 0.000 1.325) 2.891 14.106 ( 6.003 0.000 -9.779) 11.475 24.204 ( 2.610 0.000 4.213) 4.955 24.627 ( -0.381 0.000 5.535) 5.548 24.637 ( -3.637 0.000 5.931) 6.957 24.875 ( -6.678 0.000 7.659) 10.161 24.876 ( 3.708 0.000 -0.322) 3.722 25.187 ( -12.047 0.000 20.863) 24.091 25.535 ( -5.952 0.000 -1.482) 6.133 25.650 ( -4.276 0.000 -0.756) 4.342 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 17.484 0.000 13.169) 21.889 1.179 ( 18.487 0.000 15.149) 23.901 1.717 ( -13.099 0.000 3.085) 13.457 1.842 ( -11.518 0.000 8.258) 14.173 1.902 ( 15.466 0.000 4.870) 16.215 2.057 ( 27.216 0.000 11.471) 29.535 2.184 ( 6.157 0.000 -8.581) 10.561 2.479 ( 2.215 0.000 -0.771) 2.345 2.524 ( 0.422 0.000 -3.317) 3.344 2.627 ( 1.614 0.000 -1.668) 2.321 2.691 ( 17.219 0.000 4.665) 17.839 3.406 ( 14.315 0.000 -4.418) 14.982 3.523 ( 3.446 0.000 -6.675) 7.512 3.551 ( 16.105 0.000 2.523) 16.301 3.599 ( 1.403 0.000 -10.802) 10.893 3.832 ( -9.281 0.000 4.259) 10.212 3.934 ( 2.521 0.000 -1.912) 3.164 3.946 ( 6.490 0.000 4.844) 8.098 4.236 ( 7.123 0.000 -7.580) 10.402 4.361 ( -18.142 0.000 3.188) 18.420 4.467 ( -12.995 0.000 7.000) 14.761 4.506 ( -17.196 0.000 4.266) 17.717 4.704 ( -10.661 0.000 1.135) 10.722 4.847 ( -11.784 0.000 -0.672) 11.804 6.403 ( 2.162 0.000 -0.385) 2.196 6.463 ( -0.034 0.000 10.739) 10.739 6.507 ( -3.034 0.000 0.201) 3.040 6.559 ( -3.567 0.000 9.409) 10.062 6.819 ( 3.291 0.000 5.788) 6.659 6.916 ( -1.149 0.000 5.765) 5.878 7.372 ( 4.604 0.000 -4.605) 6.512 7.570 ( 2.658 0.000 2.436) 3.605 7.592 ( -5.139 0.000 -7.893) 9.419 7.760 ( -6.379 0.000 1.275) 6.505 7.858 ( 2.730 0.000 -10.099) 10.462 7.940 ( -1.088 0.000 -10.527) 10.583 8.177 ( -0.283 0.000 -2.098) 2.117 8.246 ( -3.623 0.000 0.746) 3.699 8.275 ( 0.730 0.000 -1.899) 2.035 8.292 ( 8.011 0.000 -5.729) 9.849 8.301 ( -0.270 0.000 -1.464) 1.488 8.617 ( -6.680 0.000 -9.007) 11.214 8.849 ( 5.181 0.000 -1.554) 5.409 9.040 ( -3.504 0.000 -1.795) 3.937 9.364 ( 1.624 0.000 2.440) 2.931 9.479 ( -3.434 0.000 5.155) 6.194 9.931 ( 6.568 0.000 1.015) 6.646 9.978 ( 9.130 0.000 2.006) 9.348 10.031 ( 4.584 0.000 1.269) 4.757 10.103 ( 0.460 0.000 -4.412) 4.436 10.163 ( 0.481 0.000 6.618) 6.636 10.241 ( -3.446 0.000 0.793) 3.536 10.261 ( 0.585 0.000 4.104) 4.146 10.286 ( 0.513 0.000 1.427) 1.517 10.451 ( 0.353 0.000 -0.211) 0.411 10.480 ( 1.224 0.000 -1.466) 1.910 10.616 ( -2.497 0.000 2.159) 3.301 10.672 ( -3.497 0.000 4.646) 5.815 10.703 ( 3.616 0.000 1.055) 3.767 10.897 ( -4.773 0.000 -0.867) 4.851 11.078 ( 1.615 0.000 -5.337) 5.576 11.130 ( 0.087 0.000 -4.117) 4.118 11.287 ( 2.775 0.000 1.264) 3.049 11.480 ( -4.723 0.000 -0.295) 4.732 11.551 ( 1.271 0.000 5.558) 5.702 11.729 ( -6.625 0.000 4.715) 8.132 12.381 ( 1.205 0.000 -8.562) 8.646 12.439 ( -1.913 0.000 -6.352) 6.634 13.133 ( 0.095 0.000 -0.869) 0.874 13.157 ( -0.845 0.000 0.561) 1.014 13.196 ( 0.191 0.000 0.247) 0.313 13.259 ( -2.736 0.000 -0.414) 2.767 13.821 ( 1.559 0.000 -0.539) 1.650 13.850 ( 0.395 0.000 0.793) 0.886 13.967 ( 5.042 0.000 -1.611) 5.293 14.141 ( -1.665 0.000 -7.158) 7.349 24.283 ( 4.945 0.000 4.573) 6.736 24.533 ( -6.042 0.000 5.689) 8.298 24.621 ( -0.045 0.000 6.625) 6.626 24.708 ( -6.005 0.000 12.950) 14.274 24.990 ( 7.290 0.000 -0.718) 7.325 25.184 ( 5.939 0.000 7.660) 9.693 25.370 ( -9.459 0.000 -1.244) 9.541 25.518 ( -7.947 0.000 0.676) 7.976 ======================= Grid point 38 (16/60) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -17.392 0.000 7.804) 19.063 1.385 ( 17.392 0.000 7.804) 19.063 1.546 ( -16.617 0.000 10.965) 19.908 1.546 ( 16.617 0.000 10.965) 19.908 2.186 ( -7.773 0.000 0.277) 7.778 2.186 ( 7.773 0.000 0.277) 7.778 2.425 ( -9.398 0.000 -2.647) 9.764 2.425 ( 9.399 0.000 -2.647) 9.764 2.553 ( -5.708 0.000 -4.402) 7.208 2.553 ( 5.708 0.000 -4.402) 7.208 3.197 ( -27.242 0.000 7.984) 28.387 3.197 ( 27.242 0.000 7.984) 28.387 3.606 ( -2.247 0.000 -9.752) 10.007 3.606 ( 2.247 0.000 -9.752) 10.007 3.886 ( -16.333 0.000 -3.956) 16.805 3.886 ( 16.333 0.000 -3.956) 16.805 3.959 ( -20.327 0.000 4.311) 20.779 3.959 ( 20.327 0.000 4.311) 20.779 4.106 ( -10.299 0.000 4.619) 11.287 4.106 ( 10.299 0.000 4.619) 11.287 4.440 ( -12.583 0.000 3.274) 13.002 4.440 ( 12.583 0.000 3.274) 13.002 4.569 ( -13.991 0.000 -1.509) 14.072 4.569 ( 13.991 0.000 -1.509) 14.072 6.451 ( -2.481 0.000 -0.528) 2.537 6.451 ( 2.481 0.000 -0.528) 2.537 6.493 ( -2.639 0.000 9.847) 10.195 6.493 ( 2.639 0.000 9.847) 10.195 6.879 ( -2.444 0.000 5.864) 6.353 6.879 ( 2.444 0.000 5.864) 6.353 7.479 ( -5.547 0.000 -6.589) 8.613 7.479 ( 5.547 0.000 -6.589) 8.613 7.644 ( -4.647 0.000 2.864) 5.459 7.644 ( 4.647 0.000 2.864) 5.459 7.910 ( -1.988 0.000 -11.270) 11.444 7.910 ( 1.988 0.000 -11.270) 11.444 8.189 ( -1.675 0.000 -0.854) 1.880 8.189 ( 1.675 0.000 -0.854) 1.880 8.292 ( -0.741 0.000 -1.714) 1.867 8.292 ( 0.741 0.000 -1.714) 1.867 8.461 ( -8.145 0.000 -7.115) 10.815 8.461 ( 8.145 0.000 -7.115) 10.815 8.954 ( -4.781 0.000 -1.817) 5.114 8.954 ( 4.781 0.000 -1.817) 5.114 9.411 ( -2.944 0.000 4.616) 5.474 9.411 ( 2.944 0.000 4.616) 5.474 10.043 ( -3.565 0.000 -4.090) 5.425 10.043 ( 3.565 0.000 -4.090) 5.425 10.139 ( -2.624 0.000 6.401) 6.918 10.139 ( 2.624 0.000 6.401) 6.918 10.143 ( -6.384 0.000 1.074) 6.474 10.143 ( 6.384 0.000 1.074) 6.474 10.279 ( -1.075 0.000 3.444) 3.608 10.279 ( 1.075 0.000 3.444) 3.608 10.473 ( -1.401 0.000 -0.505) 1.490 10.473 ( 1.401 0.000 -0.505) 1.490 10.606 ( -1.918 0.000 3.613) 4.091 10.606 ( 1.918 0.000 3.613) 4.091 10.792 ( -5.015 0.000 -0.331) 5.026 10.792 ( 5.015 0.000 -0.331) 5.026 11.113 ( -1.533 0.000 -4.816) 5.054 11.113 ( 1.533 0.000 -4.816) 5.054 11.374 ( -5.187 0.000 0.659) 5.228 11.374 ( 5.187 0.000 0.659) 5.228 11.612 ( -4.538 0.000 4.057) 6.087 11.612 ( 4.538 0.000 4.057) 6.087 12.405 ( -1.310 0.000 -6.718) 6.844 12.405 ( 1.310 0.000 -6.718) 6.844 13.141 ( -0.645 0.000 -0.118) 0.655 13.141 ( 0.645 0.000 -0.118) 0.655 13.214 ( -1.555 0.000 0.102) 1.558 13.214 ( 1.555 0.000 0.102) 1.558 13.846 ( -0.759 0.000 -0.065) 0.762 13.846 ( 0.759 0.000 -0.065) 0.762 14.071 ( -4.615 0.000 -4.074) 6.156 14.071 ( 4.615 0.000 -4.074) 6.156 24.402 ( -6.364 0.000 5.123) 8.169 24.402 ( 6.364 0.000 5.123) 8.169 24.635 ( -1.664 0.000 8.973) 9.126 24.635 ( 1.664 0.000 8.973) 9.126 25.168 ( -9.647 0.000 -0.983) 9.697 25.168 ( 9.647 0.000 -0.983) 9.697 25.342 ( -8.651 0.000 3.104) 9.191 25.342 ( 8.651 0.000 3.104) 9.191 ======================= Grid point 42 (17/60) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 0.000 15.628 17.403) 23.390 0.889 ( 0.000 21.579 20.077) 29.474 1.412 ( 0.000 26.410 28.783) 39.064 1.548 ( 0.000 -0.775 11.418) 11.445 1.761 ( 0.000 -2.556 -11.663) 11.940 2.091 ( 0.000 0.294 0.562) 0.634 2.095 ( 0.000 3.444 6.055) 6.966 2.204 ( 0.000 -3.724 5.627) 6.748 2.246 ( 0.000 7.815 3.023) 8.379 2.439 ( 0.000 0.880 3.041) 3.166 2.823 ( 0.000 11.590 2.204) 11.798 2.870 ( 0.000 -4.398 -0.741) 4.460 3.211 ( 0.000 -5.322 -6.884) 8.701 3.411 ( 0.000 -5.470 -5.163) 7.522 3.551 ( 0.000 -13.560 -1.055) 13.601 3.570 ( 0.000 -7.219 -4.234) 8.369 3.714 ( 0.000 5.916 -7.803) 9.792 3.944 ( 0.000 -2.231 -8.614) 8.898 4.579 ( 0.000 0.626 3.781) 3.833 4.684 ( 0.000 3.457 2.643) 4.352 4.884 ( 0.000 -3.787 2.180) 4.369 4.927 ( 0.000 -1.295 3.069) 3.331 4.943 ( 0.000 -2.478 0.855) 2.622 5.048 ( 0.000 -4.053 2.644) 4.839 6.374 ( 0.000 2.728 1.717) 3.223 6.462 ( 0.000 -3.076 8.579) 9.114 6.603 ( 0.000 0.330 3.124) 3.141 6.634 ( 0.000 -0.663 9.893) 9.915 6.823 ( 0.000 4.486 -5.022) 6.734 7.158 ( 0.000 9.233 1.518) 9.357 7.262 ( 0.000 -1.785 -3.893) 4.282 7.490 ( 0.000 -1.995 0.445) 2.044 7.596 ( 0.000 -6.409 -3.308) 7.212 7.818 ( 0.000 -5.945 -6.059) 8.488 7.820 ( 0.000 -6.186 -2.284) 6.594 7.926 ( 0.000 -7.427 -5.673) 9.346 8.162 ( 0.000 5.708 -6.465) 8.624 8.242 ( 0.000 1.223 -7.928) 8.022 8.245 ( 0.000 4.519 -2.452) 5.141 8.357 ( 0.000 1.441 -3.450) 3.739 8.415 ( 0.000 3.701 7.090) 7.997 8.693 ( 0.000 -1.537 0.214) 1.552 8.763 ( 0.000 2.777 -8.522) 8.963 9.007 ( 0.000 -6.310 -4.237) 7.601 9.532 ( 0.000 11.644 -0.703) 11.665 9.555 ( 0.000 1.147 -0.884) 1.448 9.713 ( 0.000 -1.646 7.505) 7.684 9.743 ( 0.000 1.944 3.422) 3.935 9.883 ( 0.000 3.856 3.828) 5.433 9.914 ( 0.000 -0.948 2.395) 2.576 10.102 ( 0.000 -2.113 3.934) 4.466 10.163 ( 0.000 -1.331 4.414) 4.610 10.282 ( 0.000 -0.750 5.840) 5.887 10.301 ( 0.000 -3.398 -0.367) 3.418 10.341 ( 0.000 -2.491 0.352) 2.516 10.446 ( 0.000 -5.265 2.382) 5.779 10.614 ( 0.000 0.962 1.773) 2.017 10.631 ( 0.000 -1.733 3.255) 3.688 10.749 ( 0.000 0.723 -1.714) 1.860 10.781 ( 0.000 -3.226 5.348) 6.246 11.080 ( 0.000 0.187 -6.333) 6.336 11.085 ( 0.000 0.197 1.662) 1.673 11.270 ( 0.000 0.628 1.843) 1.947 11.426 ( 0.000 -5.584 6.946) 8.912 11.767 ( 0.000 11.116 -0.424) 11.124 12.227 ( 0.000 1.981 -11.038) 11.215 12.418 ( 0.000 -1.869 -3.951) 4.371 12.537 ( 0.000 11.239 -21.538) 24.294 13.144 ( 0.000 0.598 -1.093) 1.246 13.201 ( 0.000 0.324 0.148) 0.356 13.220 ( 0.000 1.924 0.434) 1.973 13.316 ( 0.000 -1.948 -1.373) 2.383 13.798 ( 0.000 1.377 -0.286) 1.407 13.838 ( 0.000 -0.966 2.557) 2.734 13.847 ( 0.000 -0.757 2.746) 2.849 13.937 ( 0.000 -1.454 -1.358) 1.990 24.241 ( 0.000 6.059 3.648) 7.072 24.655 ( 0.000 -1.720 8.297) 8.474 24.720 ( 0.000 7.742 5.030) 9.232 24.781 ( 0.000 -2.383 -1.561) 2.849 24.893 ( 0.000 -2.054 3.612) 4.155 25.448 ( 0.000 -9.117 0.934) 9.164 25.638 ( 0.000 1.887 -0.614) 1.984 25.707 ( 0.000 1.445 -1.457) 2.052 ======================= Grid point 43 (18/60) ======================= q-point: ( 0.17 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 14.912 13.551 13.853) 24.452 1.052 ( 13.683 22.354 12.860) 29.194 1.584 ( 14.114 2.915 9.465) 17.242 1.631 ( 15.289 15.950 22.294) 31.388 1.930 ( 8.104 -5.372 -6.812) 11.872 2.028 ( -2.913 3.347 4.507) 6.325 2.129 ( -7.208 8.538 3.147) 11.609 2.258 ( 9.646 -2.260 2.937) 10.333 2.381 ( 14.095 0.933 0.748) 14.146 2.470 ( 2.556 -0.623 2.159) 3.404 2.794 ( -1.680 12.588 0.082) 12.700 3.000 ( 9.983 -8.683 0.387) 13.237 3.263 ( 6.677 -1.910 -3.117) 7.613 3.484 ( 0.200 -9.633 -4.978) 10.845 3.540 ( 9.574 -3.958 -5.984) 11.964 3.677 ( 1.962 1.946 -6.659) 7.210 3.694 ( 4.389 -6.121 -1.520) 7.684 4.025 ( 6.328 -3.554 -8.429) 11.123 4.350 ( -17.261 3.229 6.418) 18.696 4.660 ( -7.136 1.161 1.260) 7.339 4.722 ( -13.519 -3.999 4.369) 14.760 4.818 ( -11.713 -1.787 1.439) 11.935 4.861 ( -5.728 -0.741 2.861) 6.445 5.002 ( -5.235 -2.914 0.771) 6.041 6.388 ( 1.275 2.330 1.394) 3.000 6.454 ( -0.345 -1.066 8.225) 8.301 6.576 ( -2.285 0.923 3.493) 4.275 6.636 ( -0.769 -0.599 8.308) 8.365 6.818 ( 0.254 4.682 -1.931) 5.070 7.067 ( -5.778 8.820 5.616) 11.947 7.284 ( 2.003 -2.328 -3.905) 4.968 7.514 ( 1.600 -1.724 0.587) 2.424 7.581 ( -1.587 -6.529 -3.213) 7.448 7.773 ( -3.177 -4.389 -5.449) 7.684 7.807 ( -0.261 -4.519 -5.436) 7.074 7.928 ( -0.459 -5.844 -4.446) 7.358 8.181 ( 1.986 3.233 -5.609) 6.771 8.232 ( -0.387 3.126 -4.975) 5.888 8.265 ( 0.977 0.972 -4.055) 4.283 8.322 ( -2.238 1.598 -3.004) 4.073 8.385 ( -2.294 4.693 5.043) 7.261 8.701 ( 0.823 -2.300 -3.372) 4.164 8.762 ( -0.676 1.430 -5.886) 6.095 8.974 ( -2.253 -6.702 -2.869) 7.631 9.513 ( -0.653 10.397 -0.354) 10.423 9.555 ( -1.235 2.594 3.102) 4.228 9.781 ( 5.547 -2.266 5.820) 8.354 9.826 ( 7.138 2.040 2.168) 7.734 9.932 ( 3.537 0.056 0.962) 3.666 10.023 ( 6.027 -0.739 -3.712) 7.117 10.109 ( 0.674 -2.595 4.526) 5.260 10.212 ( 3.964 -0.499 3.062) 5.034 10.274 ( -0.660 -1.212 5.259) 5.437 10.288 ( -1.300 -1.149 0.527) 1.813 10.372 ( 2.496 -4.786 0.186) 5.400 10.451 ( 0.534 -3.657 1.434) 3.964 10.625 ( 0.714 -0.492 1.822) 2.018 10.644 ( 0.992 -1.502 2.015) 2.702 10.745 ( 0.028 -0.286 -0.501) 0.578 10.770 ( -0.883 -3.112 5.175) 6.103 11.084 ( 0.659 0.825 -3.136) 3.309 11.110 ( 1.872 0.074 -1.808) 2.603 11.263 ( -0.437 0.585 1.816) 1.957 11.409 ( -1.627 -5.546 6.028) 8.351 11.756 ( -0.886 11.421 -0.283) 11.459 12.130 ( -9.452 10.285 -6.857) 15.561 12.363 ( -2.149 -1.506 -6.722) 7.217 12.499 ( -3.266 3.373 -12.573) 13.421 13.140 ( -0.333 0.475 -0.955) 1.117 13.181 ( -1.308 0.718 1.336) 2.003 13.203 ( -1.075 0.162 -0.261) 1.118 13.295 ( -2.145 -1.872 -0.944) 3.000 13.801 ( 0.849 0.905 -0.213) 1.259 13.841 ( 1.356 0.950 1.348) 2.135 13.870 ( 2.225 -1.141 1.386) 2.859 14.039 ( 5.100 -4.999 -4.891) 8.655 24.272 ( 2.974 6.368 3.704) 7.944 24.637 ( -1.565 0.256 7.370) 7.539 24.709 ( -0.924 7.452 5.167) 9.115 24.812 ( 2.657 -2.533 -1.778) 4.079 24.925 ( 2.396 -0.611 2.767) 3.712 25.261 ( -14.392 2.400 10.070) 17.729 25.548 ( -7.410 1.204 -0.214) 7.510 25.605 ( -6.325 -2.994 0.254) 7.003 ======================= Grid point 44 (19/60) ======================= q-point: ( 0.33 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 16.236 12.935 10.379) 23.209 1.344 ( 13.926 19.844 10.461) 26.403 1.861 ( -11.361 10.658 3.872) 16.051 1.873 ( -6.536 2.683 5.194) 8.769 1.934 ( 14.811 3.643 3.838) 15.728 2.097 ( 17.952 3.286 7.383) 19.687 2.135 ( 7.503 -4.239 -0.870) 8.662 2.454 ( 1.363 -4.076 -0.947) 4.401 2.480 ( 5.967 -0.458 -1.109) 6.087 2.697 ( 4.780 3.804 1.215) 6.229 2.773 ( 8.857 9.030 2.000) 12.806 3.232 ( 12.438 -11.103 -1.741) 16.764 3.504 ( 0.933 -6.777 -8.929) 11.249 3.516 ( 14.545 1.527 -0.074) 14.625 3.685 ( 2.106 2.656 -2.692) 4.328 3.811 ( 10.055 -7.054 -1.260) 12.347 3.875 ( 7.395 0.443 -0.880) 7.460 3.980 ( -8.560 3.611 4.824) 10.468 4.168 ( 4.585 -6.475 -7.830) 11.147 4.388 ( -16.687 -0.635 3.450) 17.052 4.419 ( -11.963 -1.748 6.112) 13.547 4.504 ( -16.499 -0.233 3.772) 16.926 4.695 ( -11.104 -0.757 1.341) 11.210 4.823 ( -11.972 -2.404 -0.884) 12.243 6.421 ( 1.821 1.823 1.194) 2.840 6.460 ( 0.960 0.692 6.312) 6.422 6.525 ( -2.253 1.742 4.193) 5.069 6.589 ( -3.321 1.192 6.348) 7.263 6.849 ( 2.475 3.201 3.266) 5.199 6.974 ( -3.512 5.308 5.921) 8.693 7.341 ( 3.402 -4.456 -4.211) 7.011 7.504 ( -3.427 -7.728 -2.139) 8.720 7.573 ( 1.958 0.437 -0.263) 2.023 7.703 ( -3.582 -2.423 -3.007) 5.268 7.826 ( 1.763 -3.951 -8.328) 9.385 7.903 ( -1.653 -3.792 -5.611) 6.971 8.202 ( -0.490 1.591 -2.880) 3.327 8.228 ( -0.933 0.497 -2.664) 2.866 8.273 ( 0.574 -0.801 -3.732) 3.860 8.295 ( -0.276 1.339 -3.316) 3.587 8.387 ( 3.524 5.805 -1.503) 6.955 8.643 ( -5.795 2.398 -7.766) 9.982 8.799 ( 3.552 -4.713 -0.629) 5.935 8.927 ( -2.350 -7.251 -1.829) 7.838 9.502 ( -0.467 9.390 1.775) 9.568 9.522 ( -1.548 5.180 4.477) 7.019 9.914 ( 6.887 -3.064 4.081) 8.572 9.998 ( 8.601 1.554 0.566) 8.759 10.019 ( 4.274 -1.285 -0.393) 4.480 10.085 ( 0.809 0.664 -4.662) 4.778 10.118 ( -0.400 -4.300 6.142) 7.508 10.244 ( -2.586 -0.125 0.325) 2.609 10.257 ( -0.035 -0.622 4.368) 4.412 10.277 ( 0.831 0.070 2.887) 3.005 10.413 ( 1.100 -4.891 1.089) 5.130 10.460 ( -0.135 -1.746 0.063) 1.752 10.627 ( -0.168 0.842 1.936) 2.118 10.663 ( 0.685 0.268 0.386) 0.830 10.743 ( -0.921 1.409 3.191) 3.607 10.759 ( 0.037 -7.148 1.443) 7.292 11.106 ( 1.402 1.754 -3.269) 3.966 11.144 ( 0.882 1.118 -2.191) 2.613 11.267 ( 1.135 -0.516 1.988) 2.347 11.362 ( -2.659 -5.298 3.895) 7.093 11.742 ( 0.012 12.171 -0.150) 12.172 11.922 ( -9.122 13.384 -1.930) 16.311 12.350 ( 0.273 -3.831 -6.903) 7.900 12.423 ( -3.510 -1.669 -7.933) 8.834 13.136 ( 0.034 0.319 -0.548) 0.635 13.158 ( -0.924 0.300 0.672) 1.181 13.190 ( -0.065 -0.612 0.183) 0.642 13.243 ( -2.466 -1.448 -0.282) 2.874 13.830 ( 1.580 0.864 -0.440) 1.854 13.861 ( 0.435 1.255 0.481) 1.413 13.944 ( 4.396 -2.104 -1.217) 5.023 14.082 ( -0.656 -4.906 -4.854) 6.933 24.363 ( 5.737 7.348 3.741) 10.045 24.597 ( -2.647 4.747 4.369) 6.973 24.688 ( -0.802 6.161 6.232) 8.799 24.796 ( -6.613 6.133 5.216) 10.419 24.978 ( 5.526 -0.446 1.560) 5.760 25.135 ( 3.284 -4.220 7.049) 8.847 25.369 ( -9.672 -0.624 0.128) 9.693 25.454 ( -8.101 -5.627 1.179) 9.934 ======================= Grid point 45 (20/60) ======================= q-point: (-0.50 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -13.627 12.779 6.580) 19.806 1.573 ( 13.627 12.779 6.580) 19.806 1.633 ( -12.046 11.781 9.144) 19.171 1.633 ( 12.046 11.781 9.144) 19.171 2.178 ( -3.419 -3.292 -1.807) 5.078 2.178 ( 3.419 -3.292 -1.807) 5.078 2.379 ( -7.767 -3.089 1.077) 8.427 2.379 ( 7.767 -3.089 1.077) 8.427 2.601 ( -5.684 5.336 -4.069) 8.794 2.601 ( 5.684 5.336 -4.069) 8.794 3.215 ( -23.880 -0.230 6.345) 24.709 3.215 ( 23.880 -0.230 6.345) 24.709 3.499 ( -8.103 -5.459 -4.183) 10.628 3.499 ( 8.103 -5.459 -4.183) 10.628 3.935 ( -8.752 -0.711 -1.730) 8.950 3.935 ( 8.752 -0.711 -1.730) 8.950 3.987 ( -10.587 0.702 2.464) 10.892 3.987 ( 10.587 0.702 2.464) 10.892 4.059 ( -3.395 -0.126 -0.613) 3.452 4.059 ( 3.395 -0.126 -0.613) 3.452 4.418 ( -12.357 -1.973 3.453) 12.981 4.418 ( 12.357 -1.973 3.453) 12.981 4.536 ( -14.179 -3.045 -0.854) 14.527 4.536 ( 14.179 -3.045 -0.854) 14.527 6.459 ( -1.644 1.449 1.352) 2.575 6.459 ( 1.644 1.449 1.352) 2.575 6.523 ( -2.508 1.773 7.266) 7.888 6.523 ( 2.508 1.773 7.266) 7.888 6.908 ( -3.055 3.216 4.957) 6.652 6.908 ( 3.055 3.216 4.957) 6.652 7.420 ( -4.173 -6.657 -3.772) 8.716 7.420 ( 4.173 -6.657 -3.772) 8.716 7.630 ( -3.327 0.009 -0.176) 3.332 7.630 ( 3.327 0.009 -0.176) 3.332 7.866 ( -1.961 -3.918 -8.048) 9.163 7.866 ( 1.961 -3.918 -8.048) 9.163 8.201 ( -0.769 1.218 -2.337) 2.745 8.201 ( 0.769 1.218 -2.337) 2.745 8.289 ( -0.539 -0.320 -3.156) 3.218 8.289 ( 0.539 -0.320 -3.156) 3.218 8.505 ( -6.932 3.987 -5.555) 9.737 8.505 ( 6.932 3.987 -5.555) 9.737 8.872 ( -3.157 -6.658 -1.074) 7.446 8.872 ( 3.157 -6.658 -1.074) 7.446 9.500 ( -0.482 7.661 3.666) 8.507 9.500 ( 0.482 7.661 3.666) 8.507 10.040 ( -4.459 -3.061 0.376) 5.421 10.040 ( 4.459 -3.061 0.376) 5.421 10.089 ( -1.732 -1.453 1.083) 2.507 10.089 ( 1.732 -1.453 1.083) 2.507 10.159 ( -5.733 0.588 0.704) 5.806 10.159 ( 5.733 0.588 0.704) 5.806 10.272 ( -1.115 -0.071 3.824) 3.984 10.272 ( 1.115 -0.071 3.824) 3.984 10.437 ( -1.581 -2.878 1.270) 3.521 10.437 ( 1.581 -2.878 1.270) 3.521 10.647 ( -1.907 2.204 1.763) 3.406 10.647 ( 1.907 2.204 1.763) 3.406 10.745 ( -1.124 -3.259 1.131) 3.628 10.745 ( 1.124 -3.259 1.131) 3.628 11.137 ( -1.332 2.226 -2.870) 3.869 11.137 ( 1.332 2.226 -2.870) 3.869 11.308 ( -2.530 -3.558 2.471) 5.017 11.308 ( 2.531 -3.558 2.471) 5.017 11.781 ( -4.264 12.590 -0.458) 13.301 11.781 ( 4.264 12.590 -0.458) 13.301 12.369 ( -1.670 -3.755 -6.691) 7.852 12.369 ( 1.670 -3.755 -6.691) 7.852 13.142 ( -0.570 0.213 0.016) 0.609 13.142 ( 0.570 0.213 0.016) 0.609 13.203 ( -1.339 -1.006 0.103) 1.678 13.203 ( 1.339 -1.006 0.103) 1.678 13.857 ( -0.860 1.103 -0.192) 1.412 13.857 ( 0.860 1.103 -0.192) 1.412 14.032 ( -3.761 -3.427 -3.153) 5.986 14.032 ( 3.761 -3.427 -3.153) 5.986 24.498 ( -6.725 8.441 3.142) 11.241 24.498 ( 6.725 8.441 3.142) 11.241 24.693 ( -1.950 5.247 8.162) 9.897 24.693 ( 1.950 5.247 8.162) 9.897 25.142 ( -8.741 -2.546 -0.659) 9.128 25.142 ( 8.741 -2.546 -0.659) 9.128 25.288 ( -6.994 -5.018 3.578) 9.322 25.288 ( 6.994 -5.018 3.578) 9.322 ======================= Grid point 49 (21/60) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 16.987 10.142) 19.784 1.282 ( 0.000 15.546 12.126) 19.716 1.359 ( 0.000 -9.247 7.716) 12.043 1.608 ( 0.000 -12.448 -0.289) 12.451 1.971 ( 0.000 11.065 10.448) 15.218 2.081 ( 0.000 -4.061 8.661) 9.566 2.238 ( 0.000 17.001 5.599) 17.899 2.294 ( 0.000 10.291 3.869) 10.994 2.420 ( 0.000 7.762 6.873) 10.367 2.439 ( 0.000 -1.345 2.666) 2.986 2.726 ( 0.000 -3.455 -0.774) 3.541 3.074 ( 0.000 -13.826 0.064) 13.827 3.096 ( 0.000 1.319 1.906) 2.318 3.202 ( 0.000 2.878 -7.805) 8.318 3.347 ( 0.000 -5.975 -6.821) 9.068 3.383 ( 0.000 -10.441 -2.266) 10.685 3.816 ( 0.000 4.263 -10.371) 11.213 3.890 ( 0.000 -3.184 -10.242) 10.726 4.628 ( 0.000 4.139 3.734) 5.574 4.720 ( 0.000 -2.928 0.959) 3.081 4.835 ( 0.000 2.365 4.025) 4.669 4.900 ( 0.000 -1.222 2.374) 2.670 4.900 ( 0.000 -1.034 3.070) 3.240 4.939 ( 0.000 -6.135 2.052) 6.469 6.433 ( 0.000 2.487 3.714) 4.469 6.456 ( 0.000 0.209 6.286) 6.289 6.612 ( 0.000 0.405 3.495) 3.519 6.621 ( 0.000 -0.576 6.666) 6.691 6.960 ( 0.000 8.991 -6.945) 11.361 7.152 ( 0.000 -8.851 -7.388) 11.529 7.295 ( 0.000 5.837 4.440) 7.333 7.414 ( 0.000 -5.848 1.926) 6.157 7.565 ( 0.000 4.620 0.512) 4.649 7.701 ( 0.000 -6.548 -3.513) 7.431 7.736 ( 0.000 -1.904 -3.558) 4.035 7.765 ( 0.000 -5.948 -4.293) 7.335 8.237 ( 0.000 2.172 -6.104) 6.479 8.257 ( 0.000 0.030 -6.698) 6.698 8.316 ( 0.000 2.651 -3.159) 4.125 8.358 ( 0.000 -1.235 -3.363) 3.583 8.529 ( 0.000 6.383 4.087) 7.579 8.637 ( 0.000 -4.114 1.934) 4.546 8.830 ( 0.000 3.599 -7.951) 8.728 8.905 ( 0.000 -4.075 -6.821) 7.946 9.595 ( 0.000 2.822 2.020) 3.471 9.659 ( 0.000 -3.139 5.883) 6.669 9.731 ( 0.000 6.306 -2.602) 6.822 9.775 ( 0.000 0.676 -0.090) 0.682 9.931 ( 0.000 3.158 4.568) 5.554 9.986 ( 0.000 5.559 4.524) 7.167 10.032 ( 0.000 -4.673 3.865) 6.065 10.100 ( 0.000 -4.824 3.063) 5.714 10.253 ( 0.000 -0.788 1.030) 1.297 10.260 ( 0.000 -1.234 1.496) 1.939 10.307 ( 0.000 -0.133 4.159) 4.161 10.342 ( 0.000 -3.698 4.245) 5.630 10.638 ( 0.000 1.200 1.137) 1.653 10.647 ( 0.000 0.756 1.330) 1.529 10.757 ( 0.000 0.015 -0.675) 0.675 10.757 ( 0.000 -0.319 0.946) 0.998 11.083 ( 0.000 0.238 -2.743) 2.754 11.087 ( 0.000 -0.050 0.351) 0.354 11.291 ( 0.000 1.573 3.863) 4.171 11.338 ( 0.000 -3.223 6.365) 7.135 11.998 ( 0.000 11.295 -3.357) 11.783 12.190 ( 0.000 -6.813 -6.998) 9.767 12.444 ( 0.000 5.207 -8.495) 9.964 12.563 ( 0.000 -4.799 -13.980) 14.780 13.167 ( 0.000 1.559 -1.427) 2.113 13.197 ( 0.000 -1.006 -1.350) 1.684 13.256 ( 0.000 1.291 0.244) 1.314 13.278 ( 0.000 -1.376 0.321) 1.413 13.818 ( 0.000 0.433 1.908) 1.957 13.830 ( 0.000 -0.793 2.544) 2.665 13.849 ( 0.000 2.125 0.236) 2.138 13.897 ( 0.000 -2.380 -0.899) 2.544 24.397 ( 0.000 8.698 2.758) 9.124 24.562 ( 0.000 -7.080 3.477) 7.888 24.784 ( 0.000 2.074 3.134) 3.758 24.839 ( 0.000 -3.014 4.164) 5.140 24.939 ( 0.000 13.223 3.287) 13.626 25.216 ( 0.000 -13.405 1.846) 13.532 25.674 ( 0.000 1.687 -0.588) 1.787 25.704 ( 0.000 -1.202 -0.698) 1.390 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.17 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 13.983 15.210 5.147) 21.292 1.437 ( 12.412 15.215 10.757) 22.389 1.490 ( 14.688 -8.227 3.782) 17.255 1.737 ( 9.398 -12.438 4.058) 16.108 2.022 ( 3.530 10.678 8.312) 13.984 2.142 ( 2.596 -0.994 4.655) 5.422 2.272 ( 5.494 14.200 7.187) 16.837 2.320 ( -4.409 6.825 3.593) 8.884 2.422 ( 1.905 -0.745 1.596) 2.594 2.491 ( 7.650 2.347 6.988) 10.624 2.821 ( 9.918 -0.854 -0.459) 9.965 3.073 ( -1.110 10.543 -2.763) 10.955 3.161 ( 7.365 -17.717 4.181) 19.638 3.296 ( 7.818 0.232 -6.124) 9.934 3.408 ( 5.171 -6.847 -2.438) 8.920 3.476 ( 11.116 -8.017 -5.197) 14.658 3.810 ( 0.274 6.131 -10.617) 12.263 3.931 ( 3.292 -5.650 -9.956) 11.912 4.443 ( -14.914 5.764 5.989) 17.074 4.572 ( -13.444 -6.817 4.377) 15.696 4.739 ( -9.959 2.676 2.441) 10.597 4.780 ( -10.870 -1.722 2.467) 11.278 4.857 ( -4.086 1.120 2.034) 4.699 4.921 ( -3.760 -4.519 0.264) 5.885 6.440 ( 0.781 2.256 3.563) 4.289 6.461 ( 0.497 0.307 5.751) 5.781 6.599 ( -1.240 1.139 3.872) 4.222 6.620 ( -0.463 -0.941 6.045) 6.135 6.952 ( -0.417 8.783 -5.112) 10.171 7.143 ( -0.789 -8.167 -5.792) 10.043 7.237 ( -4.371 6.012 4.936) 8.922 7.389 ( -2.668 -8.085 2.856) 8.980 7.582 ( 1.562 4.207 -1.913) 4.878 7.681 ( -0.374 -4.965 -5.113) 7.137 7.746 ( 0.164 -0.651 -4.372) 4.423 7.797 ( 1.720 -5.536 -1.670) 6.033 8.231 ( -0.403 1.624 -5.050) 5.320 8.251 ( -0.508 -0.403 -5.217) 5.257 8.307 ( -0.979 2.434 -3.560) 4.422 8.339 ( -1.524 -0.427 -3.909) 4.217 8.508 ( -1.280 6.612 2.227) 7.093 8.627 ( 0.015 -4.941 0.483) 4.965 8.808 ( -2.422 2.889 -6.731) 7.715 8.874 ( -2.631 -3.738 -5.461) 7.122 9.604 ( 0.926 4.197 3.469) 5.523 9.697 ( 3.206 -3.746 4.027) 6.366 9.747 ( 1.089 8.234 -0.003) 8.306 9.850 ( 6.264 -0.759 -1.434) 6.470 9.943 ( 2.168 1.628 2.675) 3.809 10.023 ( -0.441 -5.567 5.083) 7.552 10.066 ( 4.817 3.964 0.648) 6.272 10.158 ( 4.455 -4.734 2.039) 6.813 10.251 ( 0.076 -0.020 2.228) 2.229 10.264 ( 0.257 -1.038 1.244) 1.641 10.316 ( 0.953 -0.017 4.847) 4.940 10.356 ( 1.298 -3.827 4.356) 5.942 10.637 ( -0.047 1.078 1.169) 1.591 10.648 ( 0.271 0.236 0.900) 0.969 10.742 ( -1.101 0.636 -0.068) 1.274 10.758 ( -0.274 -0.735 0.486) 0.923 11.099 ( 1.528 0.744 -1.250) 2.110 11.110 ( 2.040 -0.216 -0.712) 2.171 11.283 ( -0.646 1.460 3.473) 3.822 11.326 ( -1.179 -2.931 5.615) 6.443 11.993 ( -0.351 11.544 -3.367) 12.030 12.187 ( -0.347 -6.169 -6.919) 9.276 12.369 ( -6.843 5.490 -7.454) 11.512 12.489 ( -6.307 -4.509 -11.599) 13.951 13.159 ( -0.641 1.362 -0.861) 1.734 13.185 ( -0.926 -0.851 -0.581) 1.386 13.218 ( -2.547 1.528 0.788) 3.073 13.254 ( -2.162 -1.975 0.264) 2.941 13.820 ( 0.966 0.989 0.669) 1.536 13.843 ( 1.628 -1.304 1.151) 2.382 13.878 ( 1.880 2.682 0.158) 3.279 13.946 ( 3.014 -4.021 -1.427) 5.224 24.433 ( 3.478 8.794 2.737) 9.845 24.589 ( 2.556 -5.781 3.693) 7.320 24.802 ( 1.817 2.136 1.844) 3.356 24.865 ( 1.639 -2.024 2.988) 3.963 24.925 ( -0.699 10.628 4.136) 11.426 25.164 ( -4.845 -10.545 3.094) 12.010 25.571 ( -11.025 0.840 1.128) 11.114 25.580 ( -8.575 -0.082 0.151) 8.577 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.33 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 13.626 14.564 4.229) 20.388 1.738 ( 14.078 9.754 3.197) 17.422 1.814 ( 12.924 -4.621 1.075) 13.767 1.937 ( 4.021 -1.856 4.041) 5.995 2.052 ( 2.817 2.541 5.848) 6.971 2.134 ( -1.945 -0.727 1.476) 2.548 2.195 ( -6.466 10.263 4.323) 12.877 2.364 ( -1.884 -5.230 1.693) 5.811 2.526 ( 12.828 7.263 5.657) 15.789 2.706 ( 13.087 -6.150 6.107) 15.697 3.012 ( -5.016 13.754 -1.484) 14.715 3.134 ( 17.133 4.254 -1.017) 17.683 3.322 ( -0.468 -10.182 -1.434) 10.293 3.430 ( 13.863 -15.444 4.925) 21.329 3.642 ( 11.261 5.473 -5.411) 13.640 3.784 ( 13.244 -5.513 -6.714) 15.839 3.865 ( 7.810 4.732 -6.422) 11.164 4.005 ( 2.182 -8.401 -8.267) 11.987 4.118 ( -12.122 8.265 6.774) 16.160 4.276 ( -10.819 -7.217 6.341) 14.469 4.455 ( -15.520 2.150 3.873) 16.140 4.491 ( -15.235 -1.253 3.399) 15.660 4.696 ( -11.940 1.615 0.217) 12.051 4.757 ( -12.053 -3.755 -1.147) 12.677 6.466 ( 1.660 1.954 3.263) 4.151 6.480 ( 1.510 0.561 4.540) 4.817 6.562 ( -2.165 1.728 4.262) 5.083 6.590 ( -2.424 -0.873 4.654) 5.319 6.963 ( 1.762 8.270 -0.673) 8.482 7.104 ( -3.634 5.570 2.660) 7.163 7.181 ( 0.225 -8.003 -1.000) 8.069 7.312 ( -4.364 -10.243 2.300) 11.369 7.624 ( 2.410 3.855 -3.438) 5.700 7.691 ( 0.635 -0.664 -4.193) 4.293 7.743 ( 0.014 -1.626 -5.392) 5.632 7.807 ( -0.860 -5.099 -1.977) 5.536 8.224 ( -0.155 1.099 -3.472) 3.645 8.247 ( 0.432 -0.889 -4.384) 4.494 8.275 ( -1.903 2.090 -4.076) 4.961 8.306 ( -1.648 -0.567 -4.365) 4.700 8.518 ( 2.617 6.939 -1.073) 7.494 8.654 ( 2.204 -5.529 -1.289) 6.090 8.729 ( -4.726 2.344 -4.422) 6.884 8.809 ( -3.538 -4.780 -3.229) 6.767 9.634 ( 2.047 7.313 3.759) 8.473 9.730 ( -1.267 10.728 1.215) 10.871 9.795 ( 4.463 -6.947 4.435) 9.373 9.950 ( -0.108 -8.717 0.244) 8.721 10.028 ( 6.193 0.991 -0.207) 6.275 10.040 ( 3.767 -0.619 1.146) 3.986 10.134 ( 1.378 3.459 -1.295) 3.942 10.205 ( -0.536 -3.288 -0.361) 3.351 10.263 ( 0.845 1.126 3.647) 3.909 10.287 ( 2.319 -0.235 3.560) 4.255 10.337 ( 0.690 -0.873 5.057) 5.178 10.383 ( 0.650 -4.141 4.036) 5.819 10.644 ( 0.872 0.972 0.995) 1.641 10.663 ( 1.260 -0.768 0.532) 1.569 10.712 ( -1.750 1.046 0.454) 2.088 10.741 ( -1.513 -1.282 0.857) 2.161 11.143 ( 2.595 1.782 -0.479) 3.184 11.162 ( 2.707 0.203 -0.309) 2.732 11.268 ( -0.900 0.385 2.435) 2.624 11.289 ( -2.322 -2.124 3.706) 4.862 11.992 ( 0.639 12.089 -3.517) 12.606 12.152 ( -5.023 6.265 -6.585) 10.385 12.232 ( -2.859 -4.736 -5.066) 7.501 12.347 ( -6.518 -6.247 -7.999) 12.062 13.148 ( -0.196 0.978 -0.028) 0.998 13.170 ( -0.432 -0.509 0.251) 0.713 13.176 ( -1.365 0.704 0.304) 1.565 13.208 ( -1.969 -1.855 0.085) 2.707 13.854 ( 2.026 1.614 -0.269) 2.604 13.895 ( 2.808 -1.905 -0.509) 3.431 13.905 ( 0.642 2.488 -0.503) 2.618 13.981 ( 0.131 -4.656 -2.009) 5.073 24.539 ( 6.666 8.955 2.459) 11.432 24.659 ( 3.859 -0.974 3.803) 5.505 24.834 ( -2.833 5.038 1.024) 5.870 24.849 ( -0.104 2.584 0.666) 2.671 24.977 ( 4.824 -0.637 3.781) 6.162 25.052 ( -3.076 -4.295 6.475) 8.356 25.331 ( -10.929 -1.329 2.607) 11.314 25.361 ( -11.586 -2.884 1.624) 12.049 ======================= Grid point 52 (24/60) ======================= q-point: (-0.50 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -11.555 11.206 3.353) 16.442 1.783 ( 11.555 11.206 3.353) 16.442 1.972 ( -7.034 8.647 2.703) 11.469 1.972 ( 7.034 8.647 2.703) 11.469 2.040 ( -7.304 -2.026 1.700) 7.768 2.040 ( 7.304 -2.026 1.700) 7.768 2.269 ( -7.443 -9.202 2.794) 12.161 2.269 ( 7.443 -9.202 2.794) 12.161 2.800 ( -11.471 13.687 -0.098) 17.858 2.800 ( 11.471 13.687 -0.098) 17.858 3.080 ( -15.824 -12.305 2.777) 20.237 3.080 ( 15.824 -12.305 2.777) 20.237 3.539 ( -15.864 8.497 0.720) 18.011 3.539 ( 15.864 8.497 0.720) 18.011 3.762 ( -14.822 -12.181 1.509) 19.244 3.762 ( 14.822 -12.181 1.509) 19.244 4.036 ( -6.944 4.231 -0.681) 8.160 4.036 ( 6.944 4.231 -0.681) 8.160 4.101 ( -1.586 -0.412 -3.807) 4.144 4.101 ( 1.586 -0.412 -3.807) 4.144 4.394 ( -13.492 0.911 2.832) 13.816 4.394 ( 13.492 0.911 2.832) 13.816 4.458 ( -14.457 -4.344 0.363) 15.100 4.458 ( 14.457 -4.344 0.363) 15.100 6.504 ( -1.302 2.397 2.719) 3.851 6.504 ( 1.302 2.397 2.719) 3.851 6.536 ( -1.747 -0.581 5.000) 5.328 6.536 ( 1.747 -0.581 5.000) 5.328 7.022 ( -3.764 8.278 2.786) 9.511 7.022 ( 3.764 8.278 2.786) 9.511 7.226 ( -3.574 -11.197 -0.008) 11.753 7.226 ( 3.574 -11.197 -0.008) 11.753 7.673 ( -2.083 3.990 -3.093) 5.461 7.673 ( 2.083 3.990 -3.093) 5.461 7.770 ( -2.197 -5.208 -4.709) 7.357 7.770 ( 2.197 -5.208 -4.709) 7.357 8.236 ( -1.298 2.014 -3.949) 4.619 8.236 ( 1.298 2.014 -3.949) 4.619 8.272 ( -1.501 -1.406 -4.184) 4.662 8.272 ( 1.501 -1.406 -4.184) 4.662 8.606 ( -5.307 5.757 -3.291) 8.493 8.606 ( 5.307 5.757 -3.291) 8.493 8.732 ( -3.674 -6.766 -1.514) 7.847 8.732 ( 3.674 -6.766 -1.514) 7.847 9.685 ( -2.642 10.220 2.951) 10.960 9.685 ( 2.642 10.220 2.951) 10.960 9.891 ( -4.312 -9.666 3.023) 11.007 9.891 ( 4.312 -9.666 3.023) 11.007 10.115 ( -2.378 2.194 -1.970) 3.788 10.115 ( 2.378 2.194 -1.970) 3.788 10.154 ( -4.144 -1.294 -1.303) 4.533 10.154 ( 4.144 -1.294 -1.303) 4.533 10.296 ( -1.676 2.563 5.086) 5.937 10.296 ( 1.676 2.563 5.086) 5.937 10.365 ( -2.084 -3.951 4.037) 6.021 10.365 ( 2.084 -3.951 4.037) 6.021 10.672 ( -1.711 1.074 0.766) 2.161 10.672 ( 1.711 1.074 0.766) 2.161 10.701 ( -2.009 -1.544 0.952) 2.707 10.701 ( 2.009 -1.544 0.952) 2.707 11.193 ( -1.096 3.057 0.199) 3.254 11.193 ( 1.096 3.057 0.199) 3.254 11.250 ( -0.341 -2.622 1.989) 3.309 11.250 ( 0.341 -2.622 1.989) 3.309 12.037 ( -4.104 12.076 -4.208) 13.431 12.037 ( 4.104 12.076 -4.208) 13.431 12.247 ( -2.989 -8.437 -6.089) 10.826 12.247 ( 2.989 -8.437 -6.089) 10.826 13.153 ( -0.651 0.931 0.164) 1.148 13.153 ( 0.651 0.931 0.164) 1.148 13.178 ( -0.931 -1.382 0.141) 1.672 13.178 ( 0.931 -1.382 0.141) 1.672 13.892 ( -1.372 2.460 -0.643) 2.890 13.892 ( 1.372 2.460 -0.643) 2.890 13.955 ( -2.368 -3.742 -1.624) 4.716 13.955 ( 2.368 -3.742 -1.624) 4.716 24.685 ( -5.445 8.876 1.227) 10.485 24.685 ( 5.445 8.876 1.227) 10.485 24.783 ( -2.571 0.981 4.081) 4.922 24.783 ( 2.571 0.981 4.081) 4.922 25.093 ( -3.474 -0.353 1.957) 4.002 25.093 ( 3.474 -0.353 1.957) 4.002 25.167 ( -2.589 -6.163 4.282) 7.938 25.167 ( 2.589 -6.163 4.282) 7.938 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.000 0.000 24.510) 24.510 1.066 ( 0.000 0.000 24.562) 24.562 1.526 ( 0.000 0.000 -5.110) 5.110 1.774 ( 0.000 0.000 10.881) 10.881 1.978 ( 0.000 0.000 23.871) 23.871 2.138 ( 0.000 0.000 -6.635) 6.635 2.192 ( 0.000 0.000 18.026) 18.026 2.215 ( 0.000 0.000 3.412) 3.412 2.296 ( 0.000 0.000 12.200) 12.200 2.525 ( 0.000 0.000 3.688) 3.688 2.843 ( 0.000 0.000 -4.876) 4.876 2.872 ( 0.000 0.000 9.708) 9.708 3.161 ( 0.000 0.000 -6.536) 6.536 3.284 ( 0.000 0.000 -9.909) 9.909 3.425 ( 0.000 0.000 -13.531) 13.531 3.522 ( 0.000 0.000 -15.519) 15.519 3.572 ( 0.000 0.000 -2.101) 2.101 3.867 ( 0.000 0.000 -2.929) 2.929 4.622 ( 0.000 0.000 0.912) 0.912 4.747 ( 0.000 0.000 6.228) 6.228 4.952 ( 0.000 0.000 -1.870) 1.870 4.978 ( 0.000 0.000 3.692) 3.692 5.010 ( 0.000 0.000 3.100) 3.100 5.146 ( 0.000 0.000 2.633) 2.633 6.388 ( 0.000 0.000 3.107) 3.107 6.592 ( 0.000 0.000 -3.322) 3.322 6.684 ( 0.000 0.000 8.593) 8.593 6.872 ( 0.000 0.000 5.903) 5.903 6.904 ( 0.000 0.000 13.014) 13.014 7.061 ( 0.000 0.000 6.507) 6.507 7.242 ( 0.000 0.000 -0.963) 0.963 7.470 ( 0.000 0.000 -11.472) 11.472 7.534 ( 0.000 0.000 0.774) 0.774 7.761 ( 0.000 0.000 -6.339) 6.339 7.817 ( 0.000 0.000 -8.458) 8.458 7.867 ( 0.000 0.000 -9.981) 9.981 7.926 ( 0.000 0.000 -1.199) 1.199 8.028 ( 0.000 0.000 -10.615) 10.615 8.181 ( 0.000 0.000 0.970) 0.970 8.231 ( 0.000 0.000 -5.877) 5.877 8.508 ( 0.000 0.000 -12.366) 12.366 8.553 ( 0.000 0.000 9.020) 9.020 8.653 ( 0.000 0.000 -4.612) 4.612 9.071 ( 0.000 0.000 -2.483) 2.483 9.356 ( 0.000 0.000 -0.955) 0.955 9.494 ( 0.000 0.000 -3.291) 3.291 9.833 ( 0.000 0.000 6.533) 6.533 9.869 ( 0.000 0.000 6.203) 6.203 9.913 ( 0.000 0.000 2.601) 2.601 10.021 ( 0.000 0.000 6.293) 6.293 10.236 ( 0.000 0.000 6.514) 6.514 10.287 ( 0.000 0.000 -3.103) 3.103 10.301 ( 0.000 0.000 6.567) 6.567 10.378 ( 0.000 0.000 0.789) 0.789 10.421 ( 0.000 0.000 4.799) 4.799 10.470 ( 0.000 0.000 -0.577) 0.577 10.679 ( 0.000 0.000 4.194) 4.194 10.687 ( 0.000 0.000 -1.553) 1.553 10.739 ( 0.000 0.000 -0.416) 0.416 10.889 ( 0.000 0.000 -2.244) 2.244 10.979 ( 0.000 0.000 -1.846) 1.846 11.123 ( 0.000 0.000 1.725) 1.725 11.298 ( 0.000 0.000 2.128) 2.128 11.542 ( 0.000 0.000 -2.678) 2.678 11.641 ( 0.000 0.000 1.780) 1.780 11.969 ( 0.000 0.000 -10.440) 10.440 12.159 ( 0.000 0.000 -0.738) 0.738 12.297 ( 0.000 0.000 -9.461) 9.461 13.117 ( 0.000 0.000 -0.700) 0.700 13.203 ( 0.000 0.000 -0.016) 0.016 13.220 ( 0.000 0.000 0.743) 0.743 13.286 ( 0.000 0.000 -2.842) 2.842 13.780 ( 0.000 0.000 0.089) 0.089 13.885 ( 0.000 0.000 1.842) 1.842 13.907 ( 0.000 0.000 -1.755) 1.755 13.925 ( 0.000 0.000 2.509) 2.509 24.291 ( 0.000 0.000 6.720) 6.720 24.751 ( 0.000 0.000 -0.650) 0.650 24.771 ( 0.000 0.000 7.773) 7.773 24.915 ( 0.000 0.000 9.020) 9.020 24.994 ( 0.000 0.000 3.855) 3.855 25.552 ( 0.000 0.000 -3.043) 3.043 25.604 ( 0.000 0.000 2.232) 2.232 25.671 ( 0.000 0.000 0.498) 0.498 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 7.554 0.000 22.678) 23.903 1.218 ( 14.583 0.000 21.410) 25.905 1.604 ( 9.353 0.000 -1.767) 9.519 1.877 ( 3.644 0.000 4.266) 5.610 2.050 ( 6.718 0.000 16.271) 17.603 2.118 ( 0.871 0.000 4.863) 4.940 2.215 ( -3.751 0.000 13.384) 13.900 2.298 ( 7.119 0.000 -3.933) 8.133 2.406 ( 15.223 0.000 16.607) 22.528 2.568 ( 2.706 0.000 1.914) 3.315 2.644 ( -7.419 0.000 -1.450) 7.559 3.107 ( 9.676 0.000 0.549) 9.692 3.279 ( 13.382 0.000 -0.822) 13.408 3.383 ( -2.878 0.000 -13.493) 13.797 3.396 ( -4.628 0.000 -7.838) 9.102 3.421 ( 12.289 0.000 -8.437) 14.906 3.742 ( 9.894 0.000 -8.231) 12.870 3.933 ( 5.364 0.000 -4.263) 6.852 4.451 ( -14.197 0.000 5.698) 15.298 4.682 ( -7.792 0.000 2.823) 8.287 4.838 ( -10.298 0.000 -0.684) 10.321 4.866 ( -10.262 0.000 4.799) 11.328 4.935 ( -7.026 0.000 3.148) 7.699 5.064 ( -7.680 0.000 1.807) 7.890 6.396 ( 0.768 0.000 2.676) 2.784 6.556 ( -2.858 0.000 -2.099) 3.546 6.684 ( 0.184 0.000 10.108) 10.110 6.847 ( -2.165 0.000 8.270) 8.549 6.935 ( 2.421 0.000 11.346) 11.601 7.061 ( -0.160 0.000 6.639) 6.641 7.245 ( 0.339 0.000 -2.355) 2.379 7.475 ( -0.340 0.000 -10.333) 10.339 7.561 ( 2.496 0.000 1.461) 2.893 7.655 ( -5.430 0.000 -8.554) 10.132 7.786 ( -2.359 0.000 -6.973) 7.361 7.862 ( -4.230 0.000 -1.696) 4.557 7.972 ( 6.597 0.000 -10.503) 12.403 8.070 ( 2.211 0.000 -7.917) 8.220 8.203 ( 1.938 0.000 0.501) 2.001 8.216 ( -1.358 0.000 -5.642) 5.803 8.478 ( -5.559 0.000 6.973) 8.918 8.478 ( -2.919 0.000 -12.748) 13.078 8.705 ( 3.739 0.000 -3.175) 4.905 9.050 ( -2.032 0.000 -2.705) 3.384 9.353 ( 1.186 0.000 0.177) 1.200 9.553 ( 3.119 0.000 -1.970) 3.689 9.874 ( 1.140 0.000 3.135) 3.336 9.895 ( 5.604 0.000 5.602) 7.924 9.967 ( 3.300 0.000 1.505) 3.626 10.050 ( 2.664 0.000 5.434) 6.051 10.256 ( 2.018 0.000 6.562) 6.865 10.287 ( -0.326 0.000 -1.450) 1.487 10.324 ( 1.939 0.000 6.182) 6.479 10.399 ( 1.877 0.000 -0.692) 2.001 10.415 ( -0.662 0.000 4.999) 5.043 10.457 ( -0.982 0.000 -0.359) 1.045 10.675 ( -1.065 0.000 0.050) 1.066 10.697 ( 1.460 0.000 3.259) 3.571 10.739 ( -0.115 0.000 -0.926) 0.933 10.908 ( 1.723 0.000 -3.399) 3.811 10.949 ( -2.765 0.000 -1.796) 3.297 11.116 ( -0.700 0.000 0.976) 1.201 11.298 ( 0.241 0.000 2.248) 2.261 11.524 ( -1.769 0.000 -2.144) 2.780 11.634 ( -0.659 0.000 1.313) 1.469 11.969 ( -3.252 0.000 -0.828) 3.356 12.097 ( -1.261 0.000 -9.169) 9.255 12.305 ( -0.443 0.000 -9.088) 9.099 13.116 ( -0.040 0.000 -0.534) 0.536 13.202 ( -1.050 0.000 1.074) 1.502 13.203 ( -0.504 0.000 -0.013) 0.504 13.273 ( -1.288 0.000 -2.523) 2.833 13.786 ( 0.693 0.000 -0.004) 0.693 13.866 ( 0.053 0.000 1.272) 1.273 13.915 ( 0.138 0.000 1.291) 1.299 13.980 ( 3.198 0.000 -3.270) 4.574 24.321 ( 2.907 0.000 6.879) 7.468 24.754 ( -0.762 0.000 2.450) 2.566 24.773 ( 0.285 0.000 8.073) 8.078 24.905 ( 0.240 0.000 5.569) 5.574 24.985 ( -1.215 0.000 4.402) 4.567 25.474 ( -8.889 0.000 8.481) 12.286 25.490 ( -5.718 0.000 -2.904) 6.413 25.639 ( -3.596 0.000 -0.222) 3.603 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 11.001 0.000 17.278) 20.483 1.530 ( 14.695 0.000 18.153) 23.356 1.796 ( -8.606 0.000 3.515) 9.296 1.887 ( 15.717 0.000 -1.775) 15.817 2.060 ( -9.388 0.000 11.985) 15.224 2.221 ( 5.146 0.000 10.017) 11.261 2.237 ( 8.341 0.000 4.703) 9.575 2.436 ( 4.966 0.000 -4.481) 6.689 2.474 ( -4.893 0.000 -1.576) 5.141 2.564 ( -3.534 0.000 -3.552) 5.010 2.890 ( 24.886 0.000 13.832) 28.472 3.298 ( 9.602 0.000 -5.695) 11.164 3.354 ( 0.861 0.000 -12.550) 12.580 3.382 ( 2.165 0.000 -5.748) 6.142 3.650 ( 20.262 0.000 5.976) 21.125 3.720 ( 13.632 0.000 -7.121) 15.380 3.948 ( 9.237 0.000 -6.488) 11.288 4.060 ( 6.535 0.000 -8.038) 10.359 4.104 ( -17.853 0.000 10.812) 20.872 4.435 ( -14.646 0.000 3.688) 15.103 4.571 ( -13.635 0.000 1.577) 13.726 4.616 ( -11.305 0.000 7.035) 13.315 4.736 ( -11.848 0.000 1.845) 11.991 4.845 ( -13.016 0.000 0.616) 13.031 6.418 ( 1.317 0.000 1.755) 2.194 6.497 ( -2.624 0.000 -0.578) 2.687 6.698 ( 1.316 0.000 12.203) 12.274 6.794 ( -2.741 0.000 11.565) 11.885 6.984 ( 2.178 0.000 9.118) 9.375 7.051 ( -0.875 0.000 6.904) 6.959 7.265 ( 1.844 0.000 -5.417) 5.722 7.416 ( -4.666 0.000 -7.690) 8.995 7.620 ( 1.385 0.000 -11.625) 11.707 7.629 ( 3.798 0.000 2.817) 4.729 7.729 ( -3.019 0.000 -8.607) 9.121 7.781 ( -3.599 0.000 0.536) 3.639 8.103 ( 1.250 0.000 -5.469) 5.610 8.116 ( 7.185 0.000 -10.988) 13.129 8.182 ( -1.951 0.000 -5.376) 5.719 8.246 ( 1.969 0.000 0.364) 2.003 8.362 ( -5.039 0.000 5.412) 7.395 8.391 ( -5.415 0.000 -12.564) 13.681 8.794 ( 4.814 0.000 -3.693) 6.067 8.989 ( -3.832 0.000 -3.243) 5.020 9.413 ( 4.256 0.000 2.239) 4.809 9.573 ( -1.312 0.000 3.065) 3.334 9.911 ( 2.068 0.000 -1.752) 2.710 9.985 ( -1.105 0.000 -2.830) 3.038 10.037 ( 7.410 0.000 3.637) 8.254 10.154 ( 6.790 0.000 6.092) 9.123 10.259 ( -2.632 0.000 0.760) 2.739 10.307 ( 2.187 0.000 6.591) 6.944 10.362 ( 1.156 0.000 5.632) 5.750 10.392 ( -1.443 0.000 5.607) 5.790 10.435 ( 1.035 0.000 -1.705) 1.995 10.451 ( 0.734 0.000 -0.870) 1.139 10.653 ( -0.584 0.000 1.946) 2.031 10.723 ( -1.855 0.000 0.211) 1.867 10.731 ( 1.924 0.000 1.600) 2.502 10.874 ( -4.264 0.000 -1.331) 4.467 10.955 ( 2.814 0.000 -4.239) 5.089 11.087 ( -2.251 0.000 -1.049) 2.483 11.322 ( 2.285 0.000 2.027) 3.054 11.469 ( -3.437 0.000 -0.820) 3.533 11.629 ( 0.824 0.000 1.740) 1.925 11.825 ( -7.896 0.000 4.280) 8.981 12.148 ( 3.679 0.000 -12.593) 13.120 12.272 ( -2.428 0.000 -9.588) 9.891 13.121 ( 0.624 0.000 -0.206) 0.657 13.170 ( -1.526 0.000 0.596) 1.639 13.202 ( 0.125 0.000 0.184) 0.222 13.239 ( -1.674 0.000 -1.433) 2.204 13.811 ( 1.617 0.000 -0.283) 1.641 13.867 ( -0.507 0.000 0.753) 0.908 13.937 ( 2.149 0.000 -1.235) 2.478 14.015 ( 0.043 0.000 -4.553) 4.553 24.409 ( 5.500 0.000 7.328) 9.163 24.680 ( -5.954 0.000 7.585) 9.643 24.789 ( 1.393 0.000 8.908) 9.016 24.925 ( -4.396 0.000 7.960) 9.093 24.974 ( 6.226 0.000 -0.485) 6.245 25.332 ( -9.106 0.000 -2.540) 9.454 25.362 ( -0.811 0.000 8.219) 8.259 25.535 ( -5.966 0.000 0.878) 6.030 ======================= Grid point 73 (28/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -11.332 0.000 10.603) 15.519 1.582 ( 11.332 0.000 10.603) 15.519 1.819 ( -13.271 0.000 14.687) 19.795 1.819 ( 13.271 0.000 14.687) 19.795 2.177 ( -10.241 0.000 -0.110) 10.242 2.177 ( 10.241 0.000 -0.110) 10.242 2.378 ( -5.170 0.000 -1.245) 5.317 2.378 ( 5.170 0.000 -1.245) 5.317 2.498 ( -2.003 0.000 -1.657) 2.599 2.498 ( 2.003 0.000 -1.657) 2.599 3.340 ( -12.844 0.000 2.394) 13.065 3.340 ( 12.844 0.000 2.394) 13.065 3.397 ( -1.718 0.000 -8.916) 9.080 3.397 ( 1.718 0.000 -8.916) 9.080 3.842 ( -1.886 0.000 2.811) 3.385 3.842 ( 1.886 0.000 2.811) 3.385 4.087 ( -19.417 0.000 6.923) 20.614 4.087 ( 19.417 0.000 6.923) 20.614 4.099 ( -4.751 0.000 -6.417) 7.984 4.099 ( 4.751 0.000 -6.417) 7.984 4.493 ( -8.555 0.000 1.450) 8.677 4.493 ( 8.555 0.000 1.450) 8.677 4.581 ( -9.553 0.000 3.180) 10.069 4.581 ( 9.553 0.000 3.180) 10.069 6.451 ( -1.864 0.000 0.674) 1.982 6.451 ( 1.864 0.000 0.674) 1.982 6.739 ( -2.500 0.000 12.872) 13.113 6.739 ( 2.500 0.000 12.872) 13.113 7.024 ( -1.660 0.000 7.608) 7.787 7.024 ( 1.660 0.000 7.608) 7.787 7.324 ( -3.854 0.000 -7.415) 8.357 7.324 ( 3.854 0.000 -7.415) 8.357 7.668 ( -2.802 0.000 -10.670) 11.032 7.668 ( 2.802 0.000 -10.670) 11.032 7.708 ( -3.686 0.000 2.789) 4.622 7.708 ( 3.686 0.000 2.789) 4.622 8.136 ( -2.154 0.000 -4.687) 5.159 8.136 ( 2.154 0.000 -4.687) 5.159 8.262 ( -6.851 0.000 -11.780) 13.627 8.262 ( 6.851 0.000 -11.780) 13.627 8.287 ( -2.380 0.000 2.186) 3.232 8.287 ( 2.380 0.000 2.186) 3.232 8.897 ( -4.941 0.000 -3.748) 6.202 8.897 ( 4.941 0.000 -3.748) 6.202 9.509 ( -4.456 0.000 4.373) 6.243 9.509 ( 4.456 0.000 4.373) 6.243 9.952 ( -1.872 0.000 -4.085) 4.493 9.952 ( 1.872 0.000 -4.085) 4.493 10.175 ( -5.550 0.000 2.000) 5.899 10.175 ( 5.550 0.000 2.000) 5.899 10.285 ( -4.871 0.000 6.172) 7.862 10.285 ( 4.871 0.000 6.172) 7.862 10.374 ( -0.907 0.000 5.591) 5.664 10.374 ( 0.907 0.000 5.591) 5.664 10.454 ( -0.724 0.000 -1.383) 1.562 10.454 ( 0.724 0.000 -1.383) 1.562 10.671 ( -2.333 0.000 2.270) 3.255 10.671 ( 2.333 0.000 2.270) 3.255 10.788 ( -3.723 0.000 -0.071) 3.723 10.788 ( 3.723 0.000 -0.071) 3.723 11.024 ( -3.615 0.000 -3.175) 4.811 11.024 ( 3.615 0.000 -3.175) 4.811 11.390 ( -3.959 0.000 0.798) 4.039 11.390 ( 3.959 0.000 0.798) 4.039 11.688 ( -4.985 0.000 2.990) 5.813 11.688 ( 4.985 0.000 2.990) 5.813 12.216 ( -2.927 0.000 -10.818) 11.207 12.216 ( 2.927 0.000 -10.818) 11.207 13.141 ( -1.231 0.000 0.144) 1.239 13.141 ( 1.231 0.000 0.144) 1.239 13.212 ( -0.907 0.000 -0.390) 0.987 13.212 ( 0.907 0.000 -0.390) 0.987 13.845 ( -1.500 0.000 -0.016) 1.500 13.845 ( 1.500 0.000 -0.016) 1.500 13.988 ( -2.311 0.000 -3.442) 4.146 13.988 ( 2.311 0.000 -3.442) 4.146 24.541 ( -6.979 0.000 7.877) 10.524 24.541 ( 6.979 0.000 7.877) 10.524 24.838 ( -3.475 0.000 9.671) 10.276 24.838 ( 3.475 0.000 9.671) 10.276 25.138 ( -9.193 0.000 -1.960) 9.399 25.138 ( 9.193 0.000 -1.960) 9.399 25.416 ( -4.989 0.000 3.628) 6.169 25.416 ( 4.989 0.000 3.628) 6.169 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.000 8.156 21.406) 22.907 1.307 ( 0.000 18.511 20.205) 27.402 1.608 ( 0.000 6.427 -1.027) 6.509 1.731 ( 0.000 -4.546 13.339) 14.092 2.046 ( 0.000 4.368 8.985) 9.991 2.195 ( 0.000 5.352 0.650) 5.391 2.223 ( 0.000 6.167 20.611) 21.514 2.306 ( 0.000 0.229 7.472) 7.476 2.337 ( 0.000 11.391 9.284) 14.695 2.535 ( 0.000 0.840 5.188) 5.256 2.832 ( 0.000 -2.360 -3.696) 4.386 2.906 ( 0.000 3.926 5.359) 6.644 3.053 ( 0.000 -7.100 -7.158) 10.082 3.246 ( 0.000 -3.589 -10.046) 10.668 3.433 ( 0.000 -8.628 -10.843) 13.857 3.441 ( 0.000 -0.998 -10.306) 10.354 3.553 ( 0.000 -0.930 -4.938) 5.025 3.800 ( 0.000 -6.121 -4.877) 7.826 4.634 ( 0.000 1.493 1.501) 2.118 4.758 ( 0.000 0.631 4.565) 4.608 4.921 ( 0.000 -1.999 -0.348) 2.029 4.980 ( 0.000 -0.432 4.007) 4.030 4.990 ( 0.000 -1.517 2.507) 2.930 5.111 ( 0.000 -4.062 3.123) 5.124 6.428 ( 0.000 3.780 3.402) 5.085 6.581 ( 0.000 -0.092 0.984) 0.988 6.692 ( 0.000 1.022 7.690) 7.758 6.813 ( 0.000 -1.308 4.329) 4.523 6.866 ( 0.000 -3.396 11.423) 11.917 7.201 ( 0.000 -4.968 -1.456) 5.177 7.206 ( 0.000 8.569 2.324) 8.879 7.445 ( 0.000 -1.183 -10.278) 10.346 7.499 ( 0.000 -2.933 0.157) 2.937 7.704 ( 0.000 -4.117 -5.737) 7.062 7.756 ( 0.000 -5.548 -8.033) 9.763 7.772 ( 0.000 -4.829 -3.494) 5.961 8.021 ( 0.000 4.808 -6.439) 8.036 8.060 ( 0.000 2.277 -9.284) 9.559 8.196 ( 0.000 1.298 -1.933) 2.329 8.250 ( 0.000 1.104 -6.471) 6.564 8.551 ( 0.000 3.833 -7.931) 8.809 8.584 ( 0.000 2.881 5.766) 6.446 8.665 ( 0.000 0.843 -3.461) 3.562 8.941 ( 0.000 -8.802 -2.132) 9.057 9.495 ( 0.000 9.408 -2.578) 9.755 9.518 ( 0.000 2.502 -2.458) 3.507 9.837 ( 0.000 0.038 5.121) 5.121 9.879 ( 0.000 -0.152 7.589) 7.591 9.955 ( 0.000 3.937 2.848) 4.859 9.982 ( 0.000 -2.039 4.070) 4.552 10.209 ( 0.000 -2.621 5.832) 6.394 10.246 ( 0.000 -3.000 1.502) 3.355 10.317 ( 0.000 -0.255 3.351) 3.361 10.347 ( 0.000 -2.603 1.285) 2.903 10.420 ( 0.000 -0.185 5.404) 5.407 10.468 ( 0.000 -1.179 0.442) 1.259 10.642 ( 0.000 -0.628 0.557) 0.839 10.697 ( 0.000 -3.270 2.707) 4.245 10.735 ( 0.000 1.704 1.157) 2.060 10.775 ( 0.000 -3.668 -3.545) 5.102 11.041 ( 0.000 2.636 1.244) 2.915 11.128 ( 0.000 0.175 2.232) 2.239 11.318 ( 0.000 2.063 2.651) 3.360 11.513 ( 0.000 -2.036 1.278) 2.404 11.750 ( 0.000 7.581 -1.504) 7.729 11.997 ( 0.000 2.365 -10.511) 10.774 12.236 ( 0.000 4.869 -8.900) 10.145 12.269 ( 0.000 -2.445 -9.400) 9.713 13.123 ( 0.000 0.554 -0.887) 1.046 13.198 ( 0.000 -0.650 -0.440) 0.785 13.229 ( 0.000 0.825 0.316) 0.884 13.277 ( 0.000 -0.689 -2.303) 2.404 13.792 ( 0.000 1.143 -0.112) 1.148 13.883 ( 0.000 -0.074 2.157) 2.158 13.895 ( 0.000 -1.189 -1.357) 1.804 13.917 ( 0.000 -0.771 2.310) 2.435 24.343 ( 0.000 4.905 5.975) 7.730 24.745 ( 0.000 -2.675 -2.006) 3.344 24.828 ( 0.000 4.413 7.483) 8.687 24.878 ( 0.000 0.572 10.417) 10.433 24.981 ( 0.000 -1.234 4.409) 4.579 25.456 ( 0.000 -7.937 -0.592) 7.959 25.633 ( 0.000 1.652 0.385) 1.696 25.693 ( 0.000 1.170 -0.220) 1.190 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.17 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 12.858 6.388 19.451) 24.176 1.382 ( 7.300 17.933 17.961) 26.410 1.657 ( 7.993 3.191 2.097) 8.858 1.908 ( 10.648 0.474 8.511) 13.640 2.083 ( 1.765 3.729 6.549) 7.740 2.166 ( 0.533 6.533 8.638) 10.843 2.255 ( -4.055 4.436 8.752) 10.617 2.364 ( 4.732 2.200 0.094) 5.220 2.440 ( 9.186 3.475 14.029) 17.125 2.523 ( 5.368 1.621 5.295) 7.713 2.769 ( -3.122 9.451 -2.853) 10.354 3.002 ( 6.007 -9.794 -0.948) 11.529 3.202 ( 11.673 -3.375 -2.477) 12.401 3.377 ( 0.012 -2.338 -4.205) 4.812 3.384 ( 11.838 -2.967 -9.189) 15.277 3.466 ( 2.251 3.964 -11.373) 12.252 3.647 ( 7.793 -9.099 -5.052) 13.002 3.862 ( 5.067 -6.497 -6.390) 10.426 4.478 ( -13.352 2.606 5.254) 14.583 4.692 ( -7.473 0.197 2.227) 7.800 4.795 ( -11.120 -2.784 0.984) 11.505 4.863 ( -10.432 -0.567 3.814) 11.121 4.930 ( -6.356 -0.675 3.377) 7.229 5.032 ( -7.407 -3.447 2.085) 8.431 6.434 ( 0.579 3.599 3.000) 4.721 6.556 ( -2.050 0.696 0.393) 2.200 6.692 ( 0.163 0.948 9.331) 9.380 6.793 ( -1.269 -2.553 7.087) 7.638 6.907 ( 2.847 -2.202 8.612) 9.334 7.151 ( -3.185 3.541 2.213) 5.252 7.231 ( 1.222 -0.978 -0.662) 1.699 7.440 ( -0.850 -1.716 -9.286) 9.481 7.532 ( 2.821 -2.945 0.802) 4.156 7.636 ( -4.099 -1.773 -8.546) 9.642 7.704 ( -2.712 -5.138 -3.337) 6.700 7.826 ( 1.158 -3.602 -4.590) 5.949 8.035 ( 2.380 4.167 -8.221) 9.519 8.088 ( 1.634 1.506 -7.922) 8.227 8.203 ( 0.605 0.138 -2.136) 2.224 8.227 ( -1.762 0.778 -5.838) 6.148 8.508 ( -5.461 2.862 5.041) 7.964 8.528 ( -2.267 4.302 -9.057) 10.280 8.703 ( 2.556 -0.360 -2.347) 3.489 8.920 ( -1.642 -8.913 -2.060) 9.294 9.492 ( 0.986 9.520 -1.519) 9.690 9.576 ( 3.052 2.668 -1.322) 4.264 9.869 ( 2.215 -0.542 3.196) 3.927 9.918 ( 4.497 0.931 5.784) 7.385 9.992 ( 1.729 -3.616 4.160) 5.777 10.004 ( 2.783 3.348 1.142) 4.501 10.220 ( 1.001 -3.514 5.512) 6.613 10.272 ( 1.410 -1.652 0.535) 2.237 10.328 ( 1.365 -0.198 4.543) 4.747 10.358 ( 0.904 -3.430 1.622) 3.900 10.418 ( -0.037 0.284 4.579) 4.588 10.466 ( -0.186 -0.394 0.572) 0.719 10.646 ( 0.237 -0.766 0.461) 0.925 10.687 ( -0.534 -1.772 2.327) 2.973 10.748 ( 0.940 0.467 0.145) 1.060 10.784 ( 0.701 -4.362 -1.869) 4.797 11.035 ( -0.237 3.899 0.273) 3.915 11.136 ( 0.500 1.060 1.817) 2.162 11.311 ( -0.396 1.601 2.694) 3.158 11.485 ( -2.581 -2.531 1.115) 3.784 11.741 ( -0.749 7.765 -1.588) 7.961 12.000 ( -1.300 2.547 -5.819) 6.484 12.149 ( -4.266 2.924 -10.593) 11.788 12.283 ( -0.858 -1.832 -9.526) 9.738 13.121 ( -0.045 0.570 -0.728) 0.926 13.196 ( -0.167 -0.732 -0.226) 0.784 13.207 ( -1.724 0.587 0.697) 1.950 13.263 ( -1.391 -0.850 -2.006) 2.585 13.797 ( 0.600 1.023 -0.132) 1.193 13.868 ( 0.274 0.104 0.862) 0.910 13.904 ( 0.051 -0.937 1.453) 1.730 13.961 ( 2.671 -1.636 -2.160) 3.805 24.375 ( 3.106 5.085 6.057) 8.497 24.775 ( 2.138 -0.327 -1.534) 2.652 24.814 ( -1.248 -0.062 8.287) 8.380 24.852 ( -1.400 3.113 8.674) 9.321 25.004 ( 1.658 -0.032 4.317) 4.624 25.388 ( -6.192 -5.880 2.003) 8.771 25.557 ( -7.058 2.839 1.564) 7.766 25.615 ( -5.830 -1.634 0.697) 6.095 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 11.324 10.473 16.219) 22.383 1.598 ( 12.107 11.206 13.782) 21.496 1.872 ( 7.718 1.379 -1.023) 7.907 1.996 ( -1.039 13.319 6.361) 14.796 2.052 ( -6.326 0.141 8.871) 10.897 2.211 ( 0.579 -1.857 5.487) 5.822 2.258 ( 8.777 1.637 8.989) 12.670 2.426 ( 1.384 1.172 -1.764) 2.530 2.461 ( 0.784 -0.291 -1.592) 1.799 2.690 ( -5.362 10.045 -2.586) 11.676 2.928 ( 23.377 3.829 11.627) 26.388 3.161 ( 9.078 -9.346 -5.126) 14.001 3.349 ( 4.033 -0.710 -4.922) 6.403 3.433 ( 3.309 2.418 -8.556) 9.487 3.673 ( 18.001 1.431 1.434) 18.115 3.712 ( 15.240 -0.826 -5.101) 16.093 3.831 ( 9.030 -11.137 -4.475) 15.020 3.981 ( 5.856 -6.968 -8.916) 12.741 4.151 ( -16.351 4.130 9.038) 19.134 4.452 ( -14.877 0.932 3.101) 15.226 4.533 ( -11.780 -3.600 2.576) 12.584 4.598 ( -12.752 -0.652 5.834) 14.038 4.737 ( -11.836 -0.430 2.793) 12.169 4.818 ( -12.805 -2.688 0.841) 13.111 6.451 ( 1.056 3.255 2.073) 4.000 6.512 ( -1.993 1.877 0.233) 2.748 6.703 ( 0.916 0.192 11.205) 11.244 6.764 ( -1.607 -2.518 9.660) 10.112 6.963 ( 2.602 -1.384 6.185) 6.851 7.083 ( -3.282 2.695 3.845) 5.729 7.264 ( 2.196 -2.059 -2.473) 3.896 7.397 ( -3.275 -1.725 -6.570) 7.541 7.564 ( -0.004 -3.081 -4.708) 5.626 7.612 ( 0.302 -2.348 -3.777) 4.458 7.666 ( 1.070 -2.509 -3.834) 4.705 7.809 ( -2.307 -0.557 -2.771) 3.648 8.109 ( 1.328 0.744 -6.736) 6.906 8.118 ( 3.787 0.614 -7.708) 8.610 8.184 ( -1.726 0.159 -5.431) 5.701 8.220 ( 0.293 -1.683 -3.157) 3.589 8.406 ( -3.562 4.195 3.118) 6.326 8.461 ( -3.948 5.625 -8.408) 10.859 8.763 ( 3.262 -3.068 -2.908) 5.339 8.881 ( -2.098 -8.239 -2.412) 8.838 9.528 ( 2.265 9.145 0.757) 9.451 9.606 ( -0.236 3.404 2.720) 4.364 9.917 ( 2.429 0.026 -1.856) 3.057 9.991 ( -0.793 -0.411 -2.105) 2.286 10.050 ( 6.899 0.149 3.284) 7.642 10.095 ( 4.964 -2.261 4.435) 7.030 10.229 ( -0.863 -5.089 3.554) 6.267 10.277 ( -0.728 -1.446 2.292) 2.806 10.359 ( 0.276 -1.393 4.771) 4.978 10.372 ( 0.797 -0.229 5.088) 5.155 10.429 ( 1.104 -0.348 1.257) 1.709 10.463 ( -0.148 0.123 0.660) 0.688 10.653 ( 0.841 0.201 1.152) 1.441 10.686 ( 0.344 -0.487 1.590) 1.698 10.763 ( 0.384 -0.219 0.374) 0.579 10.791 ( -0.467 -4.052 0.054) 4.079 11.042 ( 1.149 5.792 -1.421) 6.073 11.133 ( -1.154 3.447 0.090) 3.636 11.318 ( 1.225 -0.049 2.656) 2.925 11.418 ( -3.410 -3.439 1.343) 5.026 11.731 ( 0.226 7.903 -1.156) 7.990 11.893 ( -7.125 5.803 -0.393) 9.198 12.139 ( 1.898 -1.523 -12.144) 12.385 12.241 ( -2.708 -2.954 -9.510) 10.319 13.125 ( 0.503 0.444 -0.378) 0.770 13.171 ( -1.626 0.219 0.505) 1.716 13.193 ( 0.019 -0.867 -0.021) 0.867 13.228 ( -1.685 -1.017 -1.133) 2.271 13.820 ( 1.546 0.871 -0.382) 1.815 13.874 ( -0.398 0.674 0.498) 0.927 13.920 ( 1.896 -1.511 -0.954) 2.605 13.991 ( 0.015 -2.163 -3.475) 4.093 24.468 ( 5.773 5.540 6.230) 10.140 24.725 ( -5.004 4.170 7.034) 9.587 24.842 ( 0.411 4.689 8.024) 9.303 24.863 ( 3.010 -4.010 1.666) 5.283 25.034 ( 1.686 3.128 3.722) 5.146 25.257 ( -5.221 -4.711 2.571) 7.488 25.398 ( -6.655 1.113 3.541) 7.620 25.484 ( -6.506 -4.507 1.608) 8.076 ======================= Grid point 80 (32/60) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -7.374 11.562 9.659) 16.773 1.750 ( 7.374 11.562 9.659) 16.773 1.864 ( -8.445 7.080 12.837) 16.919 1.864 ( 8.445 7.080 12.837) 16.919 2.133 ( -7.522 -4.084 -1.119) 8.632 2.133 ( 7.522 -4.084 -1.119) 8.632 2.420 ( -2.992 0.392 1.861) 3.546 2.420 ( 2.992 0.392 1.861) 3.546 2.543 ( -7.746 7.616 -1.109) 10.920 2.543 ( 7.746 7.616 -1.109) 10.920 3.276 ( -3.761 -5.676 -2.342) 7.201 3.276 ( 3.761 -5.676 -2.342) 7.201 3.431 ( -5.682 2.951 -2.490) 6.870 3.431 ( 5.682 2.951 -2.490) 6.870 3.871 ( -3.314 0.848 -0.440) 3.449 3.871 ( 3.314 0.848 -0.440) 3.449 4.012 ( -3.529 -5.942 -4.589) 8.296 4.012 ( 3.529 -5.942 -4.589) 8.296 4.098 ( -18.824 0.268 5.824) 19.706 4.098 ( 18.824 0.268 5.824) 19.706 4.471 ( -6.440 -1.673 1.342) 6.787 4.471 ( 6.440 -1.673 1.342) 6.787 4.566 ( -7.037 -1.852 4.117) 8.360 4.566 ( 7.037 -1.852 4.117) 8.360 6.477 ( -1.454 2.758 1.002) 3.275 6.477 ( 1.454 2.758 1.002) 3.275 6.730 ( -1.591 -1.338 11.330) 11.520 6.730 ( 1.591 -1.338 11.330) 11.520 7.019 ( -2.883 0.351 4.661) 5.492 7.019 ( 2.883 0.351 4.661) 5.492 7.323 ( -3.440 -1.671 -4.567) 5.957 7.323 ( 3.440 -1.671 -4.567) 5.957 7.582 ( -1.676 -3.504 -5.449) 6.692 7.582 ( 1.676 -3.504 -5.449) 6.692 7.741 ( -4.122 -0.262 -1.748) 4.485 7.741 ( 4.122 -0.262 -1.748) 4.485 8.131 ( -1.455 -0.207 -4.763) 4.985 8.131 ( 1.455 -0.207 -4.763) 4.985 8.206 ( -2.022 -1.986 -6.092) 6.719 8.206 ( 2.022 -1.986 -6.092) 6.719 8.389 ( -2.049 6.408 -3.336) 7.510 8.389 ( 2.049 6.408 -3.336) 7.510 8.830 ( -2.963 -5.969 -2.967) 7.295 8.830 ( 2.963 -5.969 -2.967) 7.295 9.577 ( -2.234 6.234 3.298) 7.398 9.577 ( 2.234 6.234 3.298) 7.398 9.963 ( -1.824 0.384 -4.108) 4.512 9.963 ( 1.824 0.384 -4.108) 4.512 10.161 ( -2.486 -1.790 1.926) 3.618 10.161 ( 2.486 -1.790 1.926) 3.618 10.221 ( -3.670 -4.908 4.601) 7.663 10.221 ( 3.670 -4.908 4.601) 7.663 10.370 ( -0.907 0.722 5.070) 5.201 10.370 ( 0.907 0.722 5.070) 5.201 10.452 ( -0.945 -0.673 0.865) 1.447 10.452 ( 0.945 -0.673 0.865) 1.447 10.683 ( -1.223 0.733 1.618) 2.157 10.683 ( 1.223 0.733 1.618) 2.157 10.770 ( -0.790 -1.572 1.010) 2.029 10.770 ( 0.790 -1.572 1.010) 2.029 11.087 ( -2.853 5.489 -1.624) 6.396 11.087 ( 2.853 5.489 -1.624) 6.396 11.358 ( -2.470 -2.520 2.102) 4.108 11.358 ( 2.470 -2.520 2.102) 4.108 11.771 ( -4.054 7.112 -0.447) 8.198 11.771 ( 4.054 7.112 -0.447) 8.198 12.186 ( -2.482 -3.122 -10.332) 11.075 12.186 ( 2.482 -3.122 -10.332) 11.075 13.142 ( -1.126 0.216 0.032) 1.147 13.142 ( 1.126 0.216 0.032) 1.147 13.201 ( -0.836 -0.992 -0.384) 1.353 13.201 ( 0.836 -0.992 -0.384) 1.353 13.853 ( -1.452 0.789 -0.169) 1.661 13.853 ( 1.452 0.789 -0.169) 1.661 13.966 ( -2.085 -1.957 -2.790) 3.996 13.966 ( 2.085 -1.957 -2.790) 3.996 24.601 ( -6.677 5.624 6.412) 10.832 24.601 ( 6.677 5.624 6.412) 10.832 24.866 ( -1.649 2.012 7.642) 8.072 24.866 ( 1.649 2.012 7.642) 8.072 25.130 ( -7.107 -0.406 -0.379) 7.129 25.130 ( 7.107 -0.406 -0.379) 7.129 25.370 ( -3.628 -4.283 3.971) 6.875 25.370 ( 3.628 -4.283 3.971) 6.875 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.000 12.554 16.940) 21.085 1.577 ( 0.000 -9.439 13.633) 16.581 1.614 ( 0.000 8.665 18.550) 20.474 1.696 ( 0.000 0.788 9.335) 9.368 2.130 ( 0.000 5.388 4.672) 7.132 2.249 ( 0.000 -4.855 6.985) 8.507 2.378 ( 0.000 11.746 3.180) 12.169 2.404 ( 0.000 8.789 8.153) 11.988 2.526 ( 0.000 -2.930 5.544) 6.271 2.632 ( 0.000 -3.960 9.244) 10.056 2.715 ( 0.000 12.340 2.609) 12.613 3.011 ( 0.000 0.766 -3.427) 3.512 3.025 ( 0.000 3.642 -8.597) 9.337 3.155 ( 0.000 -7.807 -10.081) 12.750 3.207 ( 0.000 -6.114 4.337) 7.496 3.335 ( 0.000 -8.766 -1.504) 8.894 3.571 ( 0.000 2.804 -12.666) 12.973 3.664 ( 0.000 -6.278 -10.691) 12.398 4.684 ( 0.000 3.212 1.780) 3.672 4.745 ( 0.000 -2.263 1.869) 2.935 4.910 ( 0.000 1.588 1.990) 2.546 4.961 ( 0.000 -1.562 2.046) 2.574 4.967 ( 0.000 -0.373 4.345) 4.360 5.002 ( 0.000 -5.210 3.915) 6.516 6.520 ( 0.000 4.588 4.741) 6.597 6.581 ( 0.000 -1.105 5.074) 5.193 6.729 ( 0.000 2.474 7.558) 7.953 6.790 ( 0.000 -3.651 8.436) 9.192 6.864 ( 0.000 6.601 -1.444) 6.757 7.042 ( 0.000 -9.694 -2.586) 10.033 7.334 ( 0.000 4.231 -0.717) 4.292 7.405 ( 0.000 -3.417 -2.946) 4.511 7.498 ( 0.000 3.909 -6.391) 7.492 7.614 ( 0.000 -6.665 -9.317) 11.456 7.661 ( 0.000 -0.633 -0.786) 1.009 7.693 ( 0.000 -3.075 -0.895) 3.203 8.089 ( 0.000 1.838 -7.457) 7.680 8.096 ( 0.000 0.981 -8.098) 8.157 8.226 ( 0.000 1.644 -5.086) 5.345 8.254 ( 0.000 -0.815 -6.340) 6.392 8.630 ( 0.000 3.219 0.900) 3.342 8.664 ( 0.000 5.036 -3.166) 5.949 8.670 ( 0.000 -0.716 -0.586) 0.925 8.782 ( 0.000 -6.805 -3.271) 7.550 9.596 ( 0.000 4.846 -1.224) 4.998 9.641 ( 0.000 3.236 -3.247) 4.584 9.820 ( 0.000 -3.247 6.461) 7.231 9.822 ( 0.000 -1.522 3.620) 3.927 10.013 ( 0.000 3.970 2.666) 4.782 10.045 ( 0.000 3.631 1.582) 3.961 10.139 ( 0.000 -3.301 5.170) 6.134 10.170 ( 0.000 -4.067 3.409) 5.307 10.300 ( 0.000 -0.939 3.445) 3.570 10.301 ( 0.000 -1.376 3.126) 3.415 10.415 ( 0.000 -0.145 5.141) 5.143 10.426 ( 0.000 -1.625 3.639) 3.986 10.656 ( 0.000 1.669 0.291) 1.694 10.683 ( 0.000 -0.001 2.065) 2.065 10.735 ( 0.000 -0.556 -2.593) 2.652 10.746 ( 0.000 -0.499 0.174) 0.529 11.086 ( 0.000 1.982 2.375) 3.093 11.118 ( 0.000 -1.142 2.530) 2.776 11.378 ( 0.000 3.679 4.120) 5.523 11.455 ( 0.000 -3.631 4.428) 5.726 11.907 ( 0.000 7.594 -5.190) 9.198 12.018 ( 0.000 -2.130 -8.924) 9.174 12.236 ( 0.000 0.534 -10.614) 10.628 12.273 ( 0.000 -1.246 -12.586) 12.647 13.142 ( 0.000 1.359 -1.207) 1.817 13.174 ( 0.000 -1.619 -1.146) 1.984 13.249 ( 0.000 0.998 -0.619) 1.175 13.265 ( 0.000 -0.599 -1.325) 1.454 13.823 ( 0.000 1.862 -0.523) 1.934 13.862 ( 0.000 -1.898 -0.875) 2.090 13.886 ( 0.000 0.406 2.431) 2.465 13.899 ( 0.000 -0.869 2.303) 2.462 24.471 ( 0.000 7.411 4.228) 8.532 24.625 ( 0.000 -7.553 2.175) 7.860 24.892 ( 0.000 2.967 7.085) 7.681 24.946 ( 0.000 -2.237 5.678) 6.103 25.024 ( 0.000 10.755 4.542) 11.675 25.255 ( 0.000 -11.496 1.601) 11.607 25.666 ( 0.000 1.624 -0.023) 1.624 25.694 ( 0.000 -0.951 -0.245) 0.982 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.17 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 9.929 9.575 15.452) 20.713 1.612 ( 6.561 -3.852 10.853) 13.254 1.725 ( 9.220 9.848 14.729) 19.973 1.871 ( 11.091 -3.906 8.769) 14.668 2.178 ( 2.515 4.509 6.715) 8.471 2.253 ( -0.857 -2.131 5.796) 6.234 2.378 ( -2.294 5.181 3.299) 6.556 2.441 ( 5.075 12.308 4.969) 14.210 2.457 ( -2.536 -1.967 2.117) 3.845 2.706 ( 5.811 -3.835 10.353) 12.476 2.808 ( 9.536 8.664 0.409) 12.891 2.994 ( -0.784 8.406 -4.678) 9.651 3.162 ( 9.718 -2.205 -4.624) 10.986 3.283 ( 8.781 -5.166 4.140) 10.997 3.311 ( 13.733 -4.455 -8.213) 16.610 3.374 ( 4.056 -11.594 -1.654) 12.394 3.578 ( 1.819 4.707 -10.746) 11.872 3.708 ( 3.835 -7.822 -10.706) 13.802 4.551 ( -11.764 4.464 4.263) 13.285 4.645 ( -9.660 -4.428 2.704) 10.966 4.790 ( -10.376 2.172 1.834) 10.758 4.840 ( -10.257 -1.887 3.065) 10.870 4.915 ( -5.947 -0.287 3.339) 6.826 4.946 ( -6.059 -3.792 2.376) 7.532 6.523 ( 0.358 4.434 4.481) 6.314 6.575 ( -0.506 -0.165 4.434) 4.466 6.718 ( -1.158 1.426 6.964) 7.203 6.755 ( -2.381 -1.974 6.092) 6.832 6.909 ( 3.195 4.189 1.402) 5.451 7.056 ( 1.489 -8.701 -1.524) 8.959 7.296 ( -3.560 5.139 0.138) 6.253 7.400 ( -1.532 -4.334 -2.591) 5.277 7.492 ( 0.616 1.015 -4.860) 5.003 7.558 ( -2.105 -4.914 -7.953) 9.582 7.676 ( 0.619 2.200 -1.200) 2.582 7.745 ( 2.346 -4.035 -2.502) 5.296 8.099 ( 1.192 1.954 -7.484) 7.826 8.113 ( 1.200 0.523 -7.552) 7.665 8.214 ( -1.170 0.911 -4.905) 5.124 8.231 ( -1.895 -0.506 -6.067) 6.376 8.582 ( -4.232 4.002 3.674) 6.886 8.615 ( -1.619 2.884 -4.660) 5.714 8.688 ( -0.457 -0.287 -1.529) 1.621 8.761 ( -1.633 -6.413 -4.082) 7.775 9.636 ( 3.242 5.316 -0.440) 6.242 9.677 ( 2.864 4.483 -2.681) 5.957 9.831 ( 1.279 -2.597 4.429) 5.291 9.864 ( 3.417 -3.704 3.045) 5.888 10.010 ( 0.439 3.749 2.790) 4.693 10.076 ( 1.913 1.145 0.463) 2.277 10.137 ( -0.072 -1.849 4.859) 5.199 10.203 ( 2.147 -4.584 2.054) 5.463 10.314 ( 1.419 -0.619 3.727) 4.036 10.317 ( 1.817 -0.693 3.808) 4.276 10.421 ( 0.547 0.132 4.721) 4.755 10.434 ( 0.640 -1.440 3.380) 3.729 10.655 ( 0.031 1.353 0.562) 1.466 10.677 ( -0.253 -0.169 1.760) 1.786 10.740 ( 0.275 -0.567 -0.888) 1.088 10.747 ( 0.238 -0.552 -0.146) 0.619 11.101 ( 1.513 2.634 1.868) 3.566 11.138 ( 1.755 -0.957 2.449) 3.161 11.362 ( -1.456 3.176 3.722) 5.105 11.428 ( -2.542 -3.172 3.776) 5.548 11.903 ( -0.337 7.876 -5.127) 9.404 12.022 ( 0.366 -2.508 -8.370) 8.746 12.177 ( -5.140 2.036 -10.055) 11.475 12.241 ( -3.137 -2.880 -11.208) 11.989 13.140 ( -0.100 1.329 -1.042) 1.691 13.171 ( -0.201 -1.592 -0.929) 1.854 13.225 ( -2.002 1.045 -0.025) 2.258 13.245 ( -1.758 -0.902 -0.914) 2.177 13.824 ( 0.399 1.650 -0.287) 1.722 13.857 ( 0.367 -1.378 -0.192) 1.439 13.897 ( 0.503 0.699 1.525) 1.751 13.924 ( 1.582 -1.783 -0.130) 2.387 24.507 ( 3.401 7.488 4.204) 9.236 24.659 ( 3.207 -7.372 2.407) 8.392 24.881 ( -0.961 4.297 5.857) 7.327 24.950 ( -0.162 -1.010 4.868) 4.975 25.025 ( 0.664 7.836 5.184) 9.419 25.225 ( -2.710 -10.002 2.361) 10.628 25.588 ( -7.099 0.662 0.769) 7.171 25.598 ( -8.451 -0.299 1.300) 8.556 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 11.074 7.327 11.229) 17.390 1.806 ( 10.493 -3.081 5.516) 12.249 1.925 ( 8.100 9.684 7.332) 14.600 2.034 ( 1.983 -1.597 5.556) 6.112 2.174 ( -4.944 0.349 5.018) 7.053 2.240 ( 4.627 -3.270 9.795) 11.316 2.291 ( -5.813 10.059 5.104) 12.690 2.409 ( -1.985 -2.785 2.294) 4.118 2.599 ( 9.191 13.458 1.946) 16.413 2.873 ( 9.517 -8.843 7.311) 14.907 2.954 ( -2.323 10.696 -4.215) 11.729 3.085 ( 11.890 2.475 -2.879) 12.481 3.331 ( 7.467 0.414 1.030) 7.549 3.493 ( 8.399 1.351 -5.255) 9.999 3.528 ( 9.816 -11.804 -2.940) 15.631 3.640 ( 14.096 -6.500 -6.735) 16.921 3.736 ( 15.050 2.908 -2.446) 15.522 3.824 ( 8.318 -6.647 -7.943) 13.284 4.262 ( -14.249 6.499 6.686) 17.029 4.392 ( -13.044 -5.998 4.332) 14.997 4.528 ( -13.065 2.649 2.893) 13.641 4.579 ( -13.095 -1.712 4.484) 13.947 4.723 ( -12.290 -0.281 2.616) 12.569 4.752 ( -12.349 -3.103 1.251) 12.794 6.538 ( 1.081 4.614 3.826) 6.091 6.568 ( -0.081 2.576 3.214) 4.119 6.684 ( -1.749 -1.823 6.581) 7.049 6.705 ( -2.392 -3.127 6.316) 7.442 6.982 ( 3.959 4.172 1.724) 6.004 7.104 ( 2.709 -5.141 0.004) 5.811 7.204 ( -4.532 2.687 0.226) 5.273 7.323 ( -5.215 -6.422 -1.792) 8.465 7.528 ( 2.643 1.268 -4.623) 5.474 7.586 ( 4.036 -3.404 -5.183) 7.399 7.662 ( -2.029 4.046 -1.388) 4.734 7.755 ( -1.554 -4.258 -2.286) 5.076 8.131 ( 1.315 1.016 -6.748) 6.950 8.134 ( 0.899 0.717 -5.818) 5.931 8.183 ( -1.483 -0.105 -4.877) 5.099 8.193 ( -1.443 -0.970 -5.663) 5.924 8.517 ( -1.326 6.512 1.197) 6.753 8.581 ( -2.021 5.256 -5.491) 7.866 8.670 ( -0.387 -5.397 -0.616) 5.446 8.725 ( -1.835 -6.681 -4.254) 8.130 9.699 ( 2.440 6.554 1.788) 7.218 9.729 ( 1.714 8.272 -1.112) 8.521 9.863 ( 1.728 -4.806 1.532) 5.332 9.926 ( 1.229 -5.709 -0.639) 5.875 10.054 ( 4.193 1.231 2.056) 4.829 10.100 ( 0.747 -3.261 1.524) 3.676 10.140 ( 0.042 2.245 2.330) 3.236 10.216 ( -1.213 -4.058 0.769) 4.304 10.355 ( 2.349 0.910 4.714) 5.345 10.372 ( 2.800 -0.393 4.218) 5.078 10.429 ( -0.051 0.248 3.863) 3.871 10.443 ( -0.032 -1.230 2.603) 2.879 10.666 ( 1.195 1.055 1.336) 2.080 10.686 ( 1.233 -0.420 1.664) 2.113 10.736 ( -0.648 -0.226 1.822) 1.947 10.754 ( -0.125 -1.365 0.422) 1.435 11.146 ( 2.821 4.070 1.106) 5.074 11.184 ( 2.446 0.707 1.802) 3.119 11.326 ( -1.942 0.844 2.789) 3.502 11.357 ( -3.991 -2.428 2.523) 5.309 11.900 ( 0.398 8.447 -5.035) 9.842 12.016 ( -2.720 3.597 -5.998) 7.504 12.071 ( -2.425 -2.903 -9.604) 10.322 12.159 ( -4.179 -5.157 -9.272) 11.403 13.141 ( 0.247 1.128 -0.655) 1.328 13.168 ( 0.005 -1.453 -0.576) 1.563 13.182 ( -1.849 0.887 0.237) 2.064 13.204 ( -1.832 -1.219 -0.386) 2.234 13.845 ( 1.497 1.597 -0.581) 2.265 13.881 ( 1.745 -1.735 -1.031) 2.668 13.899 ( -0.444 1.414 0.197) 1.495 13.941 ( -0.151 -2.503 -1.514) 2.929 24.607 ( 6.126 7.602 4.001) 10.551 24.747 ( 4.813 -5.601 3.636) 8.231 24.848 ( -2.542 5.497 2.585) 6.584 24.925 ( -2.070 0.627 4.423) 4.923 25.071 ( 3.771 2.490 4.912) 6.675 25.166 ( -2.021 -4.833 4.254) 6.748 25.397 ( -9.720 -0.934 3.397) 10.339 25.405 ( -9.659 -1.857 2.520) 10.154 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -8.432 5.717 6.450) 12.057 1.887 ( 8.432 5.717 6.450) 12.057 2.010 ( -7.923 -5.521 2.058) 9.873 2.010 ( 7.923 -5.521 2.058) 9.873 2.151 ( -6.877 12.999 8.470) 16.971 2.151 ( 6.877 12.999 8.470) 16.971 2.352 ( -4.089 -6.607 5.032) 9.257 2.352 ( 4.089 -6.607 5.032) 9.257 2.806 ( -9.340 16.332 0.412) 18.818 2.806 ( 9.340 16.332 0.412) 18.818 3.107 ( -7.772 -11.849 -0.378) 14.176 3.107 ( 7.772 -11.849 -0.378) 14.176 3.525 ( -6.526 6.956 -3.585) 10.189 3.525 ( 6.526 6.956 -3.585) 10.189 3.722 ( -5.842 -11.881 -6.140) 14.594 3.722 ( 5.842 -11.881 -6.140) 14.594 4.024 ( -9.264 4.444 0.992) 10.322 4.024 ( 9.264 4.444 0.992) 10.322 4.092 ( -16.443 -1.604 2.747) 16.748 4.092 ( 16.443 -1.604 2.747) 16.748 4.454 ( -6.188 0.724 2.938) 6.889 4.454 ( 6.188 0.724 2.938) 6.889 4.506 ( -5.476 -3.658 4.420) 7.931 4.506 ( 5.476 -3.658 4.420) 7.931 6.561 ( -0.879 5.326 2.809) 6.085 6.561 ( 0.879 5.326 2.809) 6.085 6.668 ( -0.687 -4.684 6.972) 8.428 6.668 ( 0.687 -4.684 6.972) 8.428 7.073 ( -4.711 5.325 1.348) 7.236 7.073 ( 4.711 5.325 1.348) 7.236 7.215 ( -4.710 -7.795 -1.213) 9.188 7.215 ( 4.710 -7.795 -1.213) 9.188 7.595 ( -3.499 3.874 -3.477) 6.272 7.595 ( 3.499 3.874 -3.477) 6.272 7.688 ( -4.500 -4.428 -2.251) 6.702 7.688 ( 4.500 -4.428 -2.251) 6.702 8.142 ( -0.334 1.319 -5.094) 5.273 8.142 ( 0.334 1.319 -5.094) 5.273 8.174 ( -0.520 -1.578 -5.536) 5.780 8.174 ( 0.520 -1.578 -5.536) 5.780 8.531 ( -2.232 7.592 -3.001) 8.463 8.531 ( 2.232 7.592 -3.001) 8.463 8.687 ( -1.663 -7.719 -2.547) 8.297 8.687 ( 1.663 -7.719 -2.547) 8.297 9.735 ( -1.002 8.970 1.549) 9.158 9.735 ( 1.002 8.970 1.549) 9.158 9.907 ( -2.303 -6.861 -1.267) 7.347 9.907 ( 2.303 -6.861 -1.267) 7.347 10.124 ( -1.274 0.179 1.656) 2.098 10.124 ( 1.274 0.179 1.656) 2.098 10.156 ( -4.321 -2.235 0.902) 4.947 10.156 ( 4.321 -2.235 0.902) 4.947 10.398 ( -1.184 1.678 4.517) 4.962 10.398 ( 1.184 1.678 4.517) 4.962 10.430 ( -0.973 -1.422 2.840) 3.322 10.430 ( 0.973 -1.422 2.840) 3.322 10.700 ( -1.387 1.194 1.944) 2.669 10.700 ( 1.387 1.194 1.944) 2.669 10.733 ( -1.456 -1.935 2.032) 3.161 10.733 ( 1.456 -1.935 2.032) 3.161 11.205 ( -1.742 5.571 0.851) 5.898 11.205 ( 1.742 5.571 0.851) 5.898 11.298 ( -0.614 -3.629 2.301) 4.340 11.298 ( 0.614 -3.629 2.301) 4.340 11.934 ( -3.134 8.407 -5.253) 10.397 11.934 ( 3.134 8.407 -5.253) 10.397 12.088 ( -2.462 -6.529 -8.596) 11.072 12.088 ( 2.462 -6.529 -8.596) 11.072 13.153 ( -0.971 0.885 -0.194) 1.328 13.153 ( 0.971 0.885 -0.194) 1.328 13.176 ( -0.838 -1.338 -0.340) 1.615 13.176 ( 0.838 -1.338 -0.340) 1.615 13.878 ( -1.446 1.711 -0.659) 2.336 13.878 ( 1.446 1.711 -0.659) 2.336 13.920 ( -1.680 -2.394 -1.574) 3.321 13.920 ( 1.680 -2.394 -1.574) 3.321 24.740 ( -5.926 7.414 3.756) 10.207 24.740 ( 5.926 7.414 3.756) 10.207 24.861 ( -4.030 -3.551 3.227) 6.266 24.861 ( 4.030 -3.551 3.227) 6.266 25.157 ( -2.081 3.755 3.803) 5.735 25.157 ( 2.081 3.755 3.803) 5.735 25.262 ( -0.306 -5.922 4.564) 7.483 25.262 ( 0.306 -5.922 4.564) 7.483 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.000 0.000 21.474) 21.474 1.519 ( 0.000 0.000 18.509) 18.509 1.605 ( 0.000 0.000 10.965) 10.965 1.976 ( 0.000 0.000 7.226) 7.226 2.028 ( 0.000 0.000 -3.712) 3.712 2.057 ( 0.000 0.000 -3.316) 3.316 2.309 ( 0.000 0.000 6.277) 6.277 2.514 ( 0.000 0.000 8.201) 8.201 2.546 ( 0.000 0.000 -1.971) 1.971 2.705 ( 0.000 0.000 1.514) 1.514 2.765 ( 0.000 0.000 12.241) 12.241 3.059 ( 0.000 0.000 5.501) 5.501 3.086 ( 0.000 0.000 -6.205) 6.205 3.093 ( 0.000 0.000 1.341) 1.341 3.111 ( 0.000 0.000 -15.241) 15.241 3.175 ( 0.000 0.000 -16.403) 16.403 3.572 ( 0.000 0.000 2.229) 2.229 3.779 ( 0.000 0.000 -5.749) 5.749 4.635 ( 0.000 0.000 1.266) 1.266 4.824 ( 0.000 0.000 -2.647) 2.647 4.941 ( 0.000 0.000 3.920) 3.920 5.053 ( 0.000 0.000 0.802) 0.802 5.066 ( 0.000 0.000 4.478) 4.478 5.176 ( 0.000 0.000 0.019) 0.019 6.459 ( 0.000 0.000 3.421) 3.421 6.544 ( 0.000 0.000 -1.546) 1.546 6.896 ( 0.000 0.000 9.805) 9.805 7.000 ( 0.000 0.000 8.701) 8.701 7.141 ( 0.000 0.000 9.455) 9.455 7.181 ( 0.000 0.000 -7.376) 7.376 7.185 ( 0.000 0.000 5.202) 5.202 7.309 ( 0.000 0.000 -0.972) 0.972 7.543 ( 0.000 0.000 0.579) 0.579 7.553 ( 0.000 0.000 -10.296) 10.296 7.615 ( 0.000 0.000 -14.287) 14.287 7.806 ( 0.000 0.000 -10.746) 10.746 7.824 ( 0.000 0.000 5.986) 5.986 7.922 ( 0.000 0.000 1.065) 1.065 8.095 ( 0.000 0.000 -6.849) 6.849 8.242 ( 0.000 0.000 5.044) 5.044 8.249 ( 0.000 0.000 -12.563) 12.563 8.528 ( 0.000 0.000 -7.190) 7.190 8.738 ( 0.000 0.000 8.681) 8.681 9.006 ( 0.000 0.000 -4.118) 4.118 9.338 ( 0.000 0.000 -0.317) 0.317 9.418 ( 0.000 0.000 -3.786) 3.786 9.952 ( 0.000 0.000 1.400) 1.400 9.955 ( 0.000 0.000 2.292) 2.292 9.972 ( 0.000 0.000 6.740) 6.740 10.179 ( 0.000 0.000 8.163) 8.163 10.209 ( 0.000 0.000 -4.554) 4.554 10.357 ( 0.000 0.000 4.542) 4.542 10.401 ( 0.000 0.000 1.341) 1.341 10.407 ( 0.000 0.000 3.144) 3.144 10.441 ( 0.000 0.000 -2.532) 2.532 10.454 ( 0.000 0.000 -1.038) 1.038 10.690 ( 0.000 0.000 1.070) 1.070 10.697 ( 0.000 0.000 -1.301) 1.301 10.770 ( 0.000 0.000 4.543) 4.543 10.931 ( 0.000 0.000 -2.940) 2.940 10.949 ( 0.000 0.000 5.658) 5.658 11.133 ( 0.000 0.000 -1.115) 1.115 11.349 ( 0.000 0.000 2.791) 2.791 11.479 ( 0.000 0.000 -3.309) 3.309 11.643 ( 0.000 0.000 -0.520) 0.520 11.786 ( 0.000 0.000 -7.684) 7.684 12.126 ( 0.000 0.000 -5.407) 5.407 12.136 ( 0.000 0.000 -1.777) 1.777 13.115 ( 0.000 0.000 0.532) 0.532 13.189 ( 0.000 0.000 -1.803) 1.803 13.230 ( 0.000 0.000 0.158) 0.158 13.236 ( 0.000 0.000 -1.310) 1.310 13.789 ( 0.000 0.000 0.806) 0.806 13.857 ( 0.000 0.000 -2.415) 2.415 13.930 ( 0.000 0.000 2.388) 2.388 13.971 ( 0.000 0.000 1.222) 1.222 24.439 ( 0.000 0.000 7.376) 7.376 24.693 ( 0.000 0.000 -4.353) 4.353 24.925 ( 0.000 0.000 6.756) 6.756 25.049 ( 0.000 0.000 1.149) 1.149 25.132 ( 0.000 0.000 10.849) 10.849 25.469 ( 0.000 0.000 -5.206) 5.206 25.646 ( 0.000 0.000 1.790) 1.790 25.678 ( 0.000 0.000 0.152) 0.152 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 4.646 0.000 17.833) 18.429 1.648 ( 11.358 0.000 19.814) 22.839 1.694 ( 8.425 0.000 10.381) 13.369 1.976 ( -1.234 0.000 3.498) 3.709 2.118 ( 7.986 0.000 -4.154) 9.002 2.140 ( 6.638 0.000 -2.002) 6.933 2.353 ( 4.121 0.000 7.955) 8.959 2.439 ( -5.998 0.000 8.183) 10.145 2.563 ( -0.258 0.000 -2.545) 2.558 2.597 ( -7.745 0.000 -2.116) 8.029 2.809 ( 7.388 0.000 12.337) 14.380 3.068 ( 3.266 0.000 -4.595) 5.638 3.086 ( -1.071 0.000 -13.263) 13.306 3.195 ( 3.376 0.000 -11.831) 12.304 3.297 ( 17.788 0.000 2.802) 18.007 3.352 ( 17.789 0.000 3.213) 18.077 3.624 ( 4.572 0.000 -1.327) 4.760 3.820 ( 3.397 0.000 -6.958) 7.743 4.524 ( -9.993 0.000 2.384) 10.273 4.712 ( -9.915 0.000 -2.660) 10.266 4.855 ( -8.288 0.000 4.264) 9.320 4.968 ( -9.012 0.000 4.845) 10.232 4.977 ( -7.333 0.000 0.604) 7.357 5.085 ( -8.440 0.000 -0.176) 8.442 6.460 ( 0.080 0.000 3.069) 3.070 6.526 ( -1.462 0.000 -0.873) 1.703 6.904 ( 0.625 0.000 9.140) 9.162 7.004 ( 0.331 0.000 9.157) 9.163 7.145 ( 0.307 0.000 8.323) 8.328 7.170 ( -0.980 0.000 -5.992) 6.072 7.185 ( -0.116 0.000 5.085) 5.086 7.326 ( 1.405 0.000 -1.989) 2.435 7.465 ( -4.771 0.000 -9.178) 10.344 7.583 ( 3.626 0.000 1.122) 3.796 7.691 ( 2.823 0.000 -10.963) 11.321 7.793 ( -0.906 0.000 -6.280) 6.345 7.798 ( -0.849 0.000 2.388) 2.534 7.948 ( 1.970 0.000 -2.061) 2.851 8.086 ( -0.904 0.000 -6.515) 6.577 8.213 ( -3.321 0.000 -12.859) 13.280 8.258 ( 1.515 0.000 4.819) 5.052 8.518 ( -1.248 0.000 -4.650) 4.814 8.720 ( -1.075 0.000 6.229) 6.321 8.979 ( -2.587 0.000 -4.460) 5.156 9.362 ( 2.939 0.000 0.986) 3.100 9.482 ( 5.008 0.000 -4.239) 6.561 9.930 ( -1.079 0.000 2.291) 2.533 9.984 ( 0.399 0.000 0.103) 0.412 10.017 ( 4.079 0.000 6.040) 7.289 10.200 ( 2.424 0.000 7.971) 8.332 10.231 ( 1.788 0.000 -3.910) 4.299 10.373 ( 1.555 0.000 4.156) 4.437 10.403 ( 0.159 0.000 0.872) 0.887 10.421 ( 1.310 0.000 2.792) 3.084 10.445 ( -0.711 0.000 -0.804) 1.073 10.451 ( 0.910 0.000 -1.529) 1.780 10.678 ( -0.202 0.000 0.082) 0.218 10.711 ( 0.360 0.000 -0.439) 0.568 10.768 ( -0.166 0.000 3.619) 3.623 10.904 ( -2.413 0.000 -2.673) 3.601 10.939 ( -0.645 0.000 4.824) 4.867 11.119 ( -1.533 0.000 -1.256) 1.982 11.351 ( 0.284 0.000 2.823) 2.837 11.472 ( -0.759 0.000 -2.826) 2.926 11.635 ( -0.284 0.000 0.031) 0.286 11.828 ( 3.433 0.000 -9.192) 9.812 12.035 ( -6.209 0.000 -0.101) 6.210 12.144 ( -1.351 0.000 -5.732) 5.890 13.116 ( 0.169 0.000 0.601) 0.624 13.188 ( -0.164 0.000 -1.855) 1.862 13.216 ( -1.157 0.000 0.376) 1.216 13.230 ( -0.605 0.000 -0.999) 1.168 13.793 ( 0.514 0.000 0.732) 0.895 13.859 ( 0.161 0.000 -2.002) 2.008 13.931 ( -0.089 0.000 1.410) 1.413 13.967 ( -0.288 0.000 0.446) 0.531 24.471 ( 3.155 0.000 7.458) 8.098 24.722 ( 2.655 0.000 -3.977) 4.782 24.932 ( 0.660 0.000 6.844) 6.876 25.050 ( -0.065 0.000 1.494) 1.495 25.089 ( -3.839 0.000 10.150) 10.851 25.411 ( -5.410 0.000 -5.019) 7.380 25.588 ( -4.954 0.000 3.423) 6.021 25.638 ( -3.555 0.000 -0.017) 3.555 ======================= Grid point 107 (39/60) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 5.950 0.000 15.588) 16.685 1.875 ( 2.283 0.000 7.059) 7.419 1.896 ( 11.487 0.000 16.892) 20.427 1.974 ( 6.880 0.000 6.274) 9.311 2.271 ( 3.978 0.000 1.948) 4.429 2.277 ( 6.885 0.000 -9.316) 11.584 2.300 ( -6.064 0.000 7.303) 9.493 2.407 ( -3.006 0.000 4.271) 5.223 2.462 ( -5.094 0.000 0.140) 5.096 2.489 ( -4.842 0.000 -4.416) 6.553 3.053 ( 14.207 0.000 0.258) 14.209 3.143 ( 7.506 0.000 -4.686) 8.849 3.187 ( 7.178 0.000 -5.834) 9.250 3.317 ( 5.685 0.000 -2.189) 6.092 3.692 ( 18.697 0.000 5.468) 19.480 3.749 ( 7.549 0.000 -8.849) 11.632 3.770 ( 21.689 0.000 5.025) 22.263 3.890 ( 2.671 0.000 -9.465) 9.835 4.267 ( -13.779 0.000 4.987) 14.654 4.486 ( -9.260 0.000 -1.321) 9.353 4.604 ( -15.761 0.000 4.328) 16.344 4.746 ( -10.427 0.000 5.441) 11.761 4.760 ( -13.192 0.000 -0.105) 13.192 4.858 ( -12.402 0.000 0.028) 12.402 6.464 ( 0.375 0.000 2.320) 2.350 6.496 ( -1.259 0.000 0.358) 1.309 6.922 ( 1.242 0.000 7.793) 7.891 7.000 ( -1.198 0.000 8.321) 8.407 7.152 ( 0.380 0.000 6.534) 6.545 7.162 ( 0.860 0.000 -3.689) 3.788 7.177 ( -0.645 0.000 4.903) 4.946 7.304 ( -4.167 0.000 -4.318) 6.001 7.443 ( 3.130 0.000 -3.681) 4.832 7.646 ( -5.070 0.000 0.502) 5.095 7.673 ( 4.484 0.000 1.701) 4.796 7.776 ( -0.809 0.000 -1.329) 1.556 7.871 ( 6.033 0.000 -11.350) 12.853 7.988 ( 1.824 0.000 -4.331) 4.699 8.060 ( -1.527 0.000 -5.893) 6.088 8.122 ( -5.316 0.000 -13.282) 14.306 8.302 ( 2.666 0.000 4.801) 5.492 8.462 ( -4.158 0.000 2.450) 4.826 8.729 ( 2.332 0.000 -1.049) 2.557 8.904 ( -4.441 0.000 -5.052) 6.726 9.460 ( 6.144 0.000 2.510) 6.636 9.583 ( 3.754 0.000 -1.945) 4.228 9.891 ( -2.503 0.000 0.226) 2.513 9.947 ( -3.416 0.000 -1.474) 3.720 10.120 ( 5.399 0.000 4.286) 6.893 10.258 ( 0.104 0.000 -1.300) 1.304 10.287 ( 5.475 0.000 6.593) 8.570 10.405 ( 0.217 0.000 -0.655) 0.690 10.410 ( 1.396 0.000 3.350) 3.629 10.433 ( -0.361 0.000 -1.017) 1.079 10.447 ( 0.897 0.000 2.421) 2.582 10.475 ( 1.017 0.000 1.348) 1.688 10.683 ( 0.346 0.000 0.602) 0.694 10.704 ( -0.783 0.000 -0.622) 1.000 10.767 ( 0.285 0.000 1.907) 1.929 10.844 ( -3.072 0.000 -1.647) 3.485 10.941 ( 1.265 0.000 2.313) 2.636 11.067 ( -3.370 0.000 -1.488) 3.684 11.366 ( 1.305 0.000 2.228) 2.582 11.446 ( -1.773 0.000 -1.465) 2.300 11.651 ( 2.168 0.000 1.321) 2.539 11.858 ( -4.801 0.000 -5.244) 7.109 11.940 ( 1.456 0.000 -2.707) 3.074 12.089 ( -3.555 0.000 -7.346) 8.161 13.125 ( 0.756 0.000 0.609) 0.971 13.176 ( -1.263 0.000 -0.452) 1.341 13.195 ( -0.401 0.000 -0.558) 0.688 13.213 ( -0.923 0.000 -0.773) 1.204 13.812 ( 1.340 0.000 0.464) 1.418 13.864 ( 0.005 0.000 -1.373) 1.373 13.924 ( -0.192 0.000 0.326) 0.378 13.960 ( -0.615 0.000 -1.266) 1.408 24.566 ( 5.836 0.000 7.585) 9.570 24.773 ( 0.547 0.000 -0.010) 0.547 24.956 ( 1.721 0.000 6.829) 7.042 25.014 ( -1.356 0.000 5.333) 5.503 25.039 ( -1.162 0.000 3.169) 3.375 25.262 ( -8.468 0.000 -4.402) 9.544 25.490 ( -3.379 0.000 4.216) 5.403 25.549 ( -4.550 0.000 0.342) 4.563 ======================= Grid point 108 (40/60) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -5.324 0.000 11.628) 12.789 1.807 ( 5.325 0.000 11.628) 12.789 2.113 ( -9.696 0.000 13.215) 16.391 2.113 ( 9.696 0.000 13.215) 16.391 2.213 ( -12.260 0.000 2.665) 12.547 2.213 ( 12.260 0.000 2.665) 12.547 2.374 ( -4.029 0.000 0.088) 4.030 2.374 ( 4.029 0.000 0.088) 4.030 2.403 ( -5.140 0.000 -8.495) 9.929 2.403 ( 5.140 0.000 -8.495) 9.929 3.263 ( -3.093 0.000 -7.015) 7.666 3.263 ( 3.093 0.000 -7.015) 7.666 3.318 ( -6.088 0.000 1.920) 6.384 3.318 ( 6.088 0.000 1.920) 6.384 3.889 ( -3.890 0.000 -12.120) 12.729 3.889 ( 3.890 0.000 -12.120) 12.729 3.998 ( -11.875 0.000 8.664) 14.700 3.998 ( 11.875 0.000 8.664) 14.700 4.215 ( -20.716 0.000 5.793) 21.511 4.215 ( 20.716 0.000 5.793) 21.511 4.489 ( -9.960 0.000 -1.905) 10.141 4.489 ( 9.960 0.000 -1.905) 10.141 4.658 ( -4.015 0.000 3.207) 5.139 4.658 ( 4.015 0.000 3.207) 5.139 6.475 ( -0.735 0.000 1.438) 1.615 6.475 ( 0.735 0.000 1.438) 1.615 6.959 ( -2.263 0.000 7.005) 7.361 6.959 ( 2.263 0.000 7.005) 7.361 7.163 ( -0.674 0.000 5.326) 5.368 7.163 ( 0.674 0.000 5.326) 5.368 7.214 ( -3.880 0.000 -2.993) 4.900 7.214 ( 3.880 0.000 -2.993) 4.900 7.536 ( -5.258 0.000 -0.746) 5.311 7.536 ( 5.258 0.000 -0.746) 5.311 7.747 ( -2.417 0.000 1.103) 2.657 7.747 ( 2.417 0.000 1.103) 2.657 8.001 ( -6.273 0.000 -13.119) 14.541 8.001 ( 6.273 0.000 -13.119) 14.541 8.025 ( -1.807 0.000 -5.213) 5.518 8.025 ( 1.807 0.000 -5.213) 5.518 8.371 ( -4.092 0.000 5.139) 6.569 8.371 ( 4.092 0.000 5.139) 6.569 8.806 ( -4.709 0.000 -4.693) 6.648 8.806 ( 4.709 0.000 -4.693) 6.648 9.582 ( -4.310 0.000 2.704) 5.088 9.582 ( 4.310 0.000 2.704) 5.088 9.879 ( -2.203 0.000 -2.989) 3.713 9.879 ( 2.203 0.000 -2.989) 3.713 10.219 ( -3.725 0.000 2.052) 4.253 10.219 ( 3.725 0.000 2.052) 4.253 10.391 ( -3.603 0.000 4.414) 5.698 10.391 ( 3.603 0.000 4.414) 5.698 10.420 ( -0.994 0.000 -1.714) 1.982 10.420 ( 0.994 0.000 -1.714) 1.982 10.470 ( -1.228 0.000 2.935) 3.181 10.470 ( 1.228 0.000 2.935) 3.181 10.690 ( -0.616 0.000 -0.068) 0.619 10.690 ( 0.616 0.000 -0.068) 0.619 10.789 ( -1.981 0.000 0.152) 1.986 10.789 ( 1.981 0.000 0.152) 1.986 10.992 ( -3.435 0.000 -0.323) 3.450 10.992 ( 3.435 0.000 -0.323) 3.450 11.403 ( -2.143 0.000 0.493) 2.199 11.403 ( 2.144 0.000 0.493) 2.199 11.731 ( -5.548 0.000 1.350) 5.710 11.731 ( 5.548 0.000 1.350) 5.710 12.010 ( -3.879 0.000 -8.086) 8.969 12.010 ( 3.879 0.000 -8.086) 8.969 13.147 ( -1.338 0.000 0.420) 1.402 13.147 ( 1.338 0.000 0.420) 1.402 13.197 ( -0.485 0.000 -0.906) 1.028 13.197 ( 0.485 0.000 -0.906) 1.028 13.845 ( -1.596 0.000 -0.041) 1.596 13.845 ( 1.596 0.000 -0.041) 1.596 13.939 ( -1.281 0.000 -1.413) 1.907 13.939 ( 1.281 0.000 -1.413) 1.907 24.698 ( -6.376 0.000 6.796) 9.318 24.698 ( 6.376 0.000 6.796) 9.318 25.000 ( -2.372 0.000 5.758) 6.228 25.000 ( 2.372 0.000 5.758) 6.228 25.090 ( -7.418 0.000 -2.570) 7.851 25.090 ( 7.418 0.000 -2.570) 7.851 25.476 ( -1.928 0.000 2.020) 2.793 25.476 ( 1.928 0.000 2.020) 2.793 ======================= Grid point 112 (41/60) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 0.000 5.071 19.600) 20.246 1.686 ( 0.000 13.990 15.746) 21.063 1.745 ( 0.000 11.136 12.693) 16.886 2.011 ( 0.000 0.484 12.338) 12.347 2.079 ( 0.000 2.816 -1.868) 3.379 2.171 ( 0.000 12.166 -1.780) 12.296 2.370 ( 0.000 6.841 3.351) 7.618 2.447 ( 0.000 -4.025 4.216) 5.829 2.604 ( 0.000 2.522 0.981) 2.707 2.692 ( 0.000 -2.008 -3.016) 3.623 2.780 ( 0.000 1.907 9.969) 10.150 2.970 ( 0.000 -6.096 -0.563) 6.122 2.980 ( 0.000 -5.454 -1.875) 5.768 3.041 ( 0.000 -3.407 -8.030) 8.723 3.188 ( 0.000 2.986 -9.843) 10.286 3.213 ( 0.000 1.641 -6.549) 6.751 3.536 ( 0.000 -3.771 2.169) 4.350 3.704 ( 0.000 -7.228 -4.962) 8.767 4.658 ( 0.000 2.342 1.788) 2.946 4.846 ( 0.000 1.953 -0.826) 2.120 4.884 ( 0.000 -3.909 1.506) 4.189 5.013 ( 0.000 -2.698 -0.436) 2.733 5.082 ( 0.000 0.059 5.006) 5.007 5.162 ( 0.000 -2.561 1.475) 2.955 6.501 ( 0.000 4.245 3.309) 5.382 6.568 ( 0.000 2.872 -0.833) 2.990 6.892 ( 0.000 -0.416 9.035) 9.044 6.949 ( 0.000 -3.200 9.365) 9.896 7.060 ( 0.000 -7.233 6.588) 9.784 7.195 ( 0.000 -0.124 -3.487) 3.490 7.243 ( 0.000 3.856 1.792) 4.252 7.250 ( 0.000 -3.874 -3.222) 5.038 7.501 ( 0.000 -3.619 0.717) 3.690 7.506 ( 0.000 -4.120 -9.932) 10.752 7.618 ( 0.000 0.026 -11.458) 11.458 7.697 ( 0.000 -5.106 -3.253) 6.054 7.920 ( 0.000 4.193 -1.646) 4.504 7.952 ( 0.000 2.360 -0.146) 2.364 8.109 ( 0.000 0.968 -6.770) 6.839 8.151 ( 0.000 -2.967 -4.157) 5.107 8.385 ( 0.000 7.130 -3.581) 7.979 8.557 ( 0.000 2.355 -6.448) 6.865 8.745 ( 0.000 0.593 7.125) 7.149 8.909 ( 0.000 -6.932 -1.485) 7.089 9.446 ( 0.000 8.067 -1.823) 8.270 9.464 ( 0.000 4.359 -2.471) 5.011 9.938 ( 0.000 -1.584 4.369) 4.648 9.980 ( 0.000 2.301 2.299) 3.253 10.001 ( 0.000 2.702 1.909) 3.308 10.062 ( 0.000 -7.115 2.311) 7.481 10.258 ( 0.000 0.521 1.485) 1.573 10.303 ( 0.000 -4.447 2.557) 5.130 10.386 ( 0.000 -0.665 2.350) 2.443 10.392 ( 0.000 -1.266 2.471) 2.776 10.473 ( 0.000 1.229 -0.022) 1.229 10.474 ( 0.000 1.741 -0.011) 1.741 10.660 ( 0.000 -1.609 1.432) 2.153 10.688 ( 0.000 -0.636 -1.402) 1.540 10.779 ( 0.000 0.100 2.251) 2.253 10.781 ( 0.000 -5.501 2.439) 6.018 11.078 ( 0.000 4.863 2.340) 5.397 11.160 ( 0.000 1.759 0.454) 1.817 11.371 ( 0.000 2.435 2.535) 3.515 11.493 ( 0.000 1.229 -2.583) 2.860 11.706 ( 0.000 4.913 -2.056) 5.326 11.814 ( 0.000 2.419 -7.447) 7.830 12.101 ( 0.000 -2.261 -5.389) 5.844 12.120 ( 0.000 -1.459 -3.574) 3.860 13.114 ( 0.000 -0.040 0.149) 0.154 13.175 ( 0.000 -1.323 -1.941) 2.349 13.232 ( 0.000 0.255 0.011) 0.255 13.238 ( 0.000 0.196 -1.046) 1.065 13.796 ( 0.000 0.717 0.571) 0.917 13.852 ( 0.000 -0.490 -2.063) 2.120 13.929 ( 0.000 -0.080 2.190) 2.192 13.962 ( 0.000 -0.887 1.277) 1.555 24.473 ( 0.000 3.278 6.464) 7.247 24.689 ( 0.000 -0.718 -3.588) 3.660 24.966 ( 0.000 3.789 5.749) 6.885 25.050 ( 0.000 0.074 1.947) 1.948 25.101 ( 0.000 -2.088 10.541) 10.746 25.410 ( 0.000 -5.599 -4.043) 6.906 25.654 ( 0.000 0.733 1.393) 1.574 25.690 ( 0.000 0.694 -0.210) 0.725 ======================= Grid point 113 (42/60) ======================= q-point: ( 0.17 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 10.240 4.186 17.449) 20.660 1.735 ( 4.616 11.990 15.122) 19.843 1.804 ( 5.287 9.450 12.589) 16.605 2.116 ( 6.681 6.570 8.972) 12.973 2.148 ( 3.605 3.844 1.527) 5.487 2.202 ( 5.061 8.278 -3.375) 10.273 2.374 ( 0.358 2.090 3.184) 3.825 2.444 ( -0.202 -1.416 5.704) 5.881 2.502 ( -7.302 -0.678 0.336) 7.341 2.675 ( -1.822 4.858 -6.055) 7.974 2.808 ( 6.141 0.348 8.547) 10.530 2.964 ( 3.046 -6.179 -2.786) 7.431 3.113 ( 6.402 -1.396 -7.560) 10.004 3.159 ( 4.309 -0.778 -11.860) 12.642 3.291 ( 15.104 -2.077 -0.181) 15.247 3.364 ( 14.031 0.733 0.670) 14.066 3.582 ( 4.625 -3.865 0.591) 6.056 3.742 ( 3.252 -7.402 -5.804) 9.952 4.550 ( -9.887 2.509 2.638) 10.536 4.737 ( -9.876 2.297 -2.267) 10.390 4.793 ( -8.511 -4.544 3.362) 10.217 4.924 ( -8.583 -2.677 0.504) 9.005 5.005 ( -7.214 0.519 4.215) 8.371 5.073 ( -8.184 -2.140 1.432) 8.580 6.499 ( -0.170 4.010 2.896) 4.949 6.549 ( -1.529 2.784 -0.337) 3.194 6.897 ( 0.382 -0.921 8.459) 8.518 6.955 ( 0.515 -3.545 9.402) 10.061 7.058 ( -0.330 -7.293 5.131) 8.923 7.163 ( -2.574 0.983 -3.307) 4.304 7.234 ( -0.206 -1.607 0.560) 1.714 7.290 ( 2.580 0.096 -1.113) 2.812 7.444 ( -3.711 -2.287 -8.698) 9.729 7.548 ( 4.014 -3.499 1.308) 5.483 7.679 ( 2.632 -0.830 -8.814) 9.236 7.692 ( 0.515 -3.769 -2.200) 4.395 7.907 ( -0.623 4.696 -2.508) 5.360 7.967 ( 1.215 1.619 -2.242) 3.021 8.096 ( -1.203 0.744 -6.342) 6.498 8.143 ( -0.999 -2.812 -5.866) 6.581 8.373 ( -0.821 6.933 -2.126) 7.298 8.543 ( -1.560 2.112 -4.301) 5.039 8.720 ( -1.777 -0.073 5.149) 5.448 8.885 ( -2.180 -7.092 -1.860) 7.649 9.465 ( 2.497 8.055 -0.707) 8.463 9.524 ( 4.526 4.090 -3.038) 6.815 9.933 ( -0.820 -0.301 2.856) 2.986 10.001 ( 0.446 1.394 0.725) 1.633 10.023 ( 2.502 0.218 2.896) 3.833 10.090 ( 2.991 -5.915 2.967) 7.262 10.271 ( 0.983 -0.056 0.636) 1.172 10.301 ( -0.279 -5.285 1.942) 5.637 10.399 ( 0.923 -0.650 2.076) 2.363 10.406 ( 1.810 -0.755 2.574) 3.236 10.471 ( 0.168 1.868 0.784) 2.033 10.484 ( 0.501 1.344 0.400) 1.489 10.661 ( 0.312 -0.880 1.043) 1.400 10.700 ( 0.898 -0.306 -0.968) 1.355 10.756 ( -0.761 -2.231 2.557) 3.478 10.797 ( 0.452 -2.645 1.209) 2.943 11.064 ( -1.091 5.833 2.360) 6.386 11.160 ( -0.403 2.897 0.006) 2.925 11.365 ( -0.340 1.680 2.555) 3.077 11.469 ( -2.074 0.007 -2.055) 2.920 11.699 ( -0.318 5.116 -1.626) 5.378 11.848 ( 2.749 1.450 -8.586) 9.131 12.026 ( -5.522 -0.717 -1.780) 5.846 12.118 ( -1.493 -2.343 -5.865) 6.490 13.115 ( 0.170 -0.028 0.220) 0.280 13.175 ( -0.084 -1.284 -1.920) 2.311 13.217 ( -1.324 0.148 0.285) 1.362 13.230 ( -0.788 0.011 -0.808) 1.129 13.800 ( 0.461 0.660 0.500) 0.948 13.854 ( 0.217 -0.480 -1.826) 1.901 13.928 ( -0.247 -0.236 1.443) 1.483 13.957 ( -0.314 -0.881 0.542) 1.081 24.507 ( 3.228 3.351 6.505) 7.998 24.722 ( 3.039 -0.465 -3.506) 4.663 24.965 ( -0.229 2.739 6.024) 6.621 25.026 ( -2.426 -0.726 5.596) 6.142 25.098 ( 0.125 0.250 6.206) 6.212 25.364 ( -4.295 -4.430 -3.648) 7.168 25.600 ( -5.024 0.637 2.021) 5.453 25.629 ( -5.183 -0.587 0.477) 5.238 ======================= Grid point 114 (43/60) ======================= q-point: ( 0.33 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 5.879 12.220 13.322) 19.009 1.879 ( 7.941 1.801 11.847) 14.375 1.951 ( 8.649 2.995 9.514) 13.202 2.129 ( -1.212 14.347 6.033) 15.611 2.232 ( -1.803 -1.224 6.635) 6.984 2.292 ( -2.095 -2.148 3.321) 4.476 2.364 ( 2.022 5.005 -3.298) 6.326 2.403 ( 0.895 4.444 -1.605) 4.809 2.467 ( 1.519 0.408 5.043) 5.283 2.613 ( -4.025 9.808 -4.193) 11.401 3.038 ( 13.543 -1.685 0.143) 13.648 3.096 ( 9.336 -3.452 -2.358) 10.230 3.222 ( 6.160 2.944 -7.725) 10.310 3.300 ( 6.174 -1.558 -3.334) 7.188 3.619 ( 11.950 -8.888 -6.897) 16.413 3.685 ( 14.170 -4.358 0.764) 14.845 3.790 ( 16.206 -0.149 1.767) 16.303 3.830 ( 7.232 -3.838 -3.455) 8.886 4.293 ( -13.819 2.543 4.566) 14.774 4.506 ( -9.852 1.428 -2.333) 10.225 4.552 ( -14.330 -3.702 4.669) 15.520 4.691 ( -12.299 -2.449 1.718) 12.658 4.804 ( -11.425 0.997 3.592) 12.018 4.851 ( -12.268 -1.384 1.709) 12.463 6.497 ( 0.051 3.523 2.048) 4.075 6.518 ( -1.183 2.769 0.496) 3.052 6.910 ( 0.995 -1.881 7.741) 8.028 6.962 ( -0.250 -4.382 9.236) 10.226 7.049 ( -0.192 -6.409 2.225) 6.786 7.106 ( -2.609 -0.646 -1.959) 3.326 7.232 ( 0.220 -1.326 -1.116) 1.747 7.304 ( -2.198 -0.965 -3.157) 3.966 7.428 ( 3.296 0.157 -1.854) 3.785 7.621 ( -2.087 -1.389 3.143) 4.021 7.661 ( 3.130 -1.318 1.413) 3.678 7.751 ( 1.529 -1.803 -4.970) 5.504 7.927 ( 3.035 3.881 -7.292) 8.801 7.995 ( 1.381 0.699 -4.362) 4.628 8.065 ( -1.741 0.361 -5.685) 5.956 8.100 ( -3.195 -1.270 -9.278) 9.895 8.369 ( 0.693 5.545 1.231) 5.723 8.485 ( -3.906 2.312 1.786) 4.878 8.707 ( 1.090 -2.075 -1.024) 2.557 8.828 ( -3.234 -6.520 -3.091) 7.907 9.542 ( 4.557 7.140 0.917) 8.520 9.617 ( 3.617 3.353 -1.421) 5.132 9.899 ( -2.181 0.404 0.331) 2.243 9.958 ( -3.431 0.555 -1.489) 3.781 10.113 ( 4.901 -0.825 2.852) 5.731 10.166 ( 3.609 -5.524 1.721) 6.819 10.279 ( -0.877 -3.944 1.586) 4.341 10.294 ( -0.044 -5.517 -0.334) 5.527 10.422 ( 1.259 0.200 2.110) 2.465 10.455 ( 2.345 0.322 2.526) 3.461 10.470 ( -0.516 1.504 2.127) 2.656 10.496 ( 0.552 1.067 1.515) 1.933 10.678 ( 1.370 0.257 1.232) 1.860 10.712 ( 0.263 1.058 0.405) 1.163 10.765 ( 1.355 -0.342 1.009) 1.723 10.800 ( -0.214 -1.911 0.549) 2.000 11.046 ( -0.264 7.248 1.441) 7.395 11.130 ( -2.532 5.180 -0.785) 5.818 11.367 ( 0.585 0.026 2.050) 2.133 11.422 ( -2.096 -1.919 -0.612) 2.907 11.707 ( 1.353 4.700 -0.491) 4.915 11.876 ( -4.298 1.405 -6.018) 7.527 11.931 ( 0.892 -0.811 -2.835) 3.081 12.064 ( -3.425 -2.417 -7.005) 8.164 13.124 ( 0.729 -0.061 0.303) 0.792 13.171 ( -0.545 -0.688 -1.163) 1.457 13.187 ( -1.122 -0.529 0.097) 1.244 13.208 ( -1.210 -0.450 -0.670) 1.454 13.818 ( 1.314 0.585 0.282) 1.465 13.863 ( 0.414 -0.084 -1.516) 1.573 13.916 ( -0.578 -0.666 0.609) 1.072 13.948 ( -0.726 -1.055 -1.006) 1.629 24.603 ( 5.868 3.472 6.536) 9.445 24.793 ( 2.232 1.456 -1.351) 2.987 24.937 ( -1.814 -2.755 6.133) 6.964 24.990 ( -0.279 1.784 5.536) 5.823 25.108 ( 0.691 3.145 3.206) 4.543 25.247 ( -6.489 -1.193 -2.466) 7.044 25.480 ( -5.193 -0.963 3.255) 6.204 25.513 ( -5.396 -3.198 1.024) 6.355 ======================= Grid point 115 (44/60) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -2.199 8.736 9.698) 13.236 1.946 ( 2.199 8.736 9.698) 13.236 2.123 ( -5.662 3.685 10.503) 12.488 2.123 ( 5.662 3.685 10.503) 12.488 2.161 ( -5.254 -2.390 3.298) 6.648 2.161 ( 5.254 -2.390 3.298) 6.648 2.424 ( -2.173 3.456 -1.695) 4.420 2.424 ( 2.173 3.456 -1.695) 4.420 2.523 ( -4.484 10.320 -1.593) 11.364 2.523 ( 4.484 10.320 -1.593) 11.364 3.226 ( -1.668 -3.743 -2.527) 4.814 3.226 ( 1.668 -3.743 -2.527) 4.814 3.331 ( -2.640 1.493 -3.361) 4.527 3.331 ( 2.640 1.493 -3.361) 4.527 3.783 ( -3.253 -9.588 -10.264) 14.417 3.783 ( 3.253 -9.588 -10.264) 14.417 4.026 ( -11.343 2.308 6.413) 13.233 4.026 ( 11.343 2.308 6.413) 13.233 4.202 ( -19.157 -1.590 3.994) 19.634 4.202 ( 19.157 -1.590 3.994) 19.634 4.479 ( -7.603 -0.036 -0.513) 7.620 4.479 ( 7.603 -0.036 -0.513) 7.620 4.661 ( -2.363 -0.703 4.044) 4.736 4.661 ( 2.363 -0.703 4.044) 4.736 6.502 ( -0.469 3.051 1.239) 3.326 6.502 ( 0.469 3.051 1.239) 3.326 6.939 ( -1.629 -3.432 8.029) 8.882 6.939 ( 1.629 -3.432 8.029) 8.882 7.063 ( -1.503 -4.001 0.078) 4.275 7.063 ( 1.503 -4.001 0.078) 4.275 7.253 ( -1.929 -0.941 -2.951) 3.649 7.253 ( 1.929 -0.941 -2.951) 3.649 7.526 ( -5.296 0.783 2.454) 5.889 7.526 ( 5.296 0.783 2.454) 5.889 7.739 ( -2.580 -1.481 0.064) 2.975 7.739 ( 2.580 -1.481 0.064) 2.975 8.011 ( -3.442 0.922 -8.740) 9.438 8.011 ( 3.442 0.922 -8.740) 9.438 8.031 ( -0.910 0.602 -6.752) 6.840 8.031 ( 0.910 0.602 -6.752) 6.840 8.407 ( -3.056 3.574 3.487) 5.854 8.407 ( 3.056 3.574 3.487) 5.854 8.758 ( -3.300 -4.562 -3.738) 6.758 8.758 ( 3.300 -4.562 -3.738) 6.758 9.629 ( -2.841 4.552 1.861) 5.679 9.629 ( 2.841 4.552 1.861) 5.679 9.890 ( -2.171 0.771 -2.834) 3.652 9.890 ( 2.171 0.771 -2.834) 3.652 10.193 ( -2.059 -2.341 1.333) 3.390 10.193 ( 2.059 -2.341 1.333) 3.390 10.276 ( -1.388 -7.242 0.594) 7.398 10.276 ( 1.388 -7.242 0.594) 7.398 10.449 ( -1.363 1.209 2.901) 3.426 10.449 ( 1.363 1.209 2.901) 3.426 10.491 ( -1.067 0.686 2.153) 2.499 10.491 ( 1.067 0.686 2.153) 2.499 10.709 ( -0.999 1.644 0.926) 2.135 10.709 ( 0.999 1.644 0.926) 2.135 10.787 ( -0.790 -0.178 0.799) 1.137 10.787 ( 0.790 -0.178 0.799) 1.137 11.070 ( -2.613 6.754 -0.318) 7.249 11.070 ( 2.613 6.754 -0.318) 7.249 11.388 ( -1.348 -1.635 0.827) 2.274 11.388 ( 1.348 -1.635 0.827) 2.274 11.766 ( -4.479 3.156 -0.056) 5.480 11.766 ( 4.479 3.156 -0.056) 5.480 11.991 ( -3.450 -2.000 -7.651) 8.628 11.991 ( 3.450 -2.000 -7.651) 8.628 13.145 ( -1.341 -0.077 0.280) 1.372 13.145 ( 1.341 -0.077 0.280) 1.372 13.187 ( -0.704 -0.948 -0.887) 1.477 13.187 ( 0.704 -0.948 -0.887) 1.477 13.850 ( -1.520 0.539 -0.124) 1.617 13.850 ( 1.520 0.539 -0.124) 1.617 13.926 ( -1.270 -1.197 -1.189) 2.112 13.926 ( 1.270 -1.197 -1.189) 2.112 24.734 ( -6.205 3.348 5.831) 9.149 24.734 ( 6.205 3.348 5.831) 9.149 24.971 ( -2.630 -2.374 2.165) 4.152 24.971 ( 2.630 -2.374 2.165) 4.152 25.136 ( -3.097 3.854 1.106) 5.066 25.136 ( 3.097 3.854 1.106) 5.066 25.436 ( -1.269 -3.758 2.243) 4.557 25.436 ( 1.269 -3.758 2.243) 4.557 ======================= Grid point 119 (45/60) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.000 9.655 18.000) 20.426 1.875 ( 0.000 -3.675 14.760) 15.211 1.966 ( 0.000 8.520 15.330) 17.538 2.004 ( 0.000 4.195 17.898) 18.383 2.171 ( 0.000 6.709 -1.073) 6.794 2.342 ( 0.000 -7.502 1.349) 7.622 2.401 ( 0.000 9.050 -0.841) 9.089 2.531 ( 0.000 3.306 4.265) 5.396 2.597 ( 0.000 -4.057 -5.980) 7.226 2.625 ( 0.000 -0.203 3.123) 3.130 2.853 ( 0.000 4.887 -1.301) 5.058 2.920 ( 0.000 1.027 1.780) 2.055 2.928 ( 0.000 0.343 -6.285) 6.294 2.953 ( 0.000 -4.950 -6.702) 8.332 3.235 ( 0.000 1.145 -2.751) 2.980 3.240 ( 0.000 2.025 -9.247) 9.466 3.439 ( 0.000 -3.613 2.625) 4.466 3.517 ( 0.000 -9.715 -2.403) 10.008 4.723 ( 0.000 3.800 2.608) 4.609 4.801 ( 0.000 -3.872 3.120) 4.973 4.908 ( 0.000 3.557 -1.659) 3.925 4.969 ( 0.000 -2.009 -1.244) 2.363 5.059 ( 0.000 -1.502 3.916) 4.194 5.078 ( 0.000 -4.089 3.005) 5.074 6.618 ( 0.000 6.479 4.363) 7.811 6.657 ( 0.000 4.450 2.300) 5.009 6.833 ( 0.000 -3.571 3.097) 4.727 6.894 ( 0.000 -8.078 1.406) 8.200 6.965 ( 0.000 4.281 9.308) 10.246 7.087 ( 0.000 -7.188 6.254) 9.528 7.271 ( 0.000 2.949 -8.295) 8.803 7.298 ( 0.000 1.152 -1.981) 2.291 7.421 ( 0.000 -3.262 -7.642) 8.309 7.425 ( 0.000 -3.133 -0.193) 3.139 7.615 ( 0.000 -0.091 -7.767) 7.768 7.627 ( 0.000 -1.756 -4.349) 4.690 7.981 ( 0.000 1.820 -1.723) 2.506 7.990 ( 0.000 0.910 -1.309) 1.595 8.120 ( 0.000 0.061 -6.177) 6.177 8.121 ( 0.000 -0.375 -5.133) 5.147 8.516 ( 0.000 5.510 -3.931) 6.768 8.584 ( 0.000 -0.734 -5.332) 5.382 8.757 ( 0.000 0.735 4.394) 4.455 8.794 ( 0.000 -3.736 1.926) 4.203 9.571 ( 0.000 5.113 -0.893) 5.191 9.587 ( 0.000 4.489 -1.859) 4.859 9.892 ( 0.000 -2.240 2.869) 3.640 9.918 ( 0.000 -5.586 2.749) 6.226 10.042 ( 0.000 2.836 0.655) 2.910 10.058 ( 0.000 1.938 -0.032) 1.938 10.222 ( 0.000 -2.436 2.851) 3.750 10.232 ( 0.000 -2.272 2.313) 3.242 10.371 ( 0.000 -0.443 3.041) 3.073 10.374 ( 0.000 -0.515 3.249) 3.289 10.481 ( 0.000 -0.071 1.483) 1.485 10.486 ( 0.000 -0.381 1.532) 1.578 10.657 ( 0.000 1.221 0.304) 1.258 10.683 ( 0.000 -0.601 -1.352) 1.479 10.735 ( 0.000 0.501 2.167) 2.224 10.764 ( 0.000 -1.469 0.968) 1.759 11.147 ( 0.000 2.292 3.114) 3.867 11.175 ( 0.000 -0.434 2.460) 2.498 11.442 ( 0.000 3.966 1.984) 4.435 11.500 ( 0.000 -1.251 -0.020) 1.252 11.802 ( 0.000 4.249 -4.396) 6.114 11.851 ( 0.000 0.126 -6.865) 6.866 12.061 ( 0.000 -0.737 -5.540) 5.589 12.083 ( 0.000 -2.107 -5.942) 6.304 13.119 ( 0.000 0.704 -0.821) 1.081 13.143 ( 0.000 -1.621 -1.704) 2.352 13.239 ( 0.000 0.311 -0.360) 0.475 13.241 ( 0.000 0.051 -0.714) 0.715 13.816 ( 0.000 1.126 -0.118) 1.132 13.838 ( 0.000 -0.961 -1.144) 1.494 13.930 ( 0.000 0.288 1.754) 1.778 13.942 ( 0.000 -0.899 1.428) 1.688 24.558 ( 0.000 4.767 3.952) 6.192 24.647 ( 0.000 -3.595 -0.026) 3.595 25.038 ( 0.000 1.482 5.921) 6.104 25.050 ( 0.000 -0.219 4.025) 4.031 25.114 ( 0.000 5.355 4.416) 6.941 25.265 ( 0.000 -8.195 -0.994) 8.255 25.673 ( 0.000 1.072 0.637) 1.247 25.692 ( 0.000 -0.571 -0.109) 0.581 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.17 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 7.518 7.708 17.080) 20.191 1.896 ( 2.211 1.984 15.062) 15.352 2.020 ( 2.773 7.212 12.699) 14.865 2.069 ( 6.089 -2.408 10.054) 11.998 2.287 ( 8.425 4.586 3.230) 10.122 2.339 ( -0.804 -2.944 1.331) 3.330 2.405 ( 0.553 4.585 -0.136) 4.620 2.489 ( -3.487 -2.062 -0.149) 4.054 2.536 ( 1.461 11.278 5.394) 12.587 2.725 ( 6.284 -4.518 -1.904) 7.970 2.880 ( 2.151 7.939 -2.634) 8.636 2.915 ( 2.575 3.897 -0.998) 4.777 3.050 ( 10.166 -3.303 -6.403) 12.461 3.135 ( 11.477 -6.196 -8.136) 15.373 3.247 ( 3.029 1.699 -6.437) 7.314 3.338 ( 7.622 -4.147 -3.853) 9.494 3.512 ( 8.151 -1.370 4.011) 9.187 3.570 ( 5.713 -7.372 -0.873) 9.367 4.618 ( -9.679 3.996 2.869) 10.858 4.702 ( -9.311 -4.303 2.521) 10.562 4.800 ( -9.478 3.835 -0.342) 10.230 4.873 ( -8.913 -2.805 -0.373) 9.352 4.989 ( -6.652 -1.185 3.531) 7.624 5.005 ( -6.948 -3.150 2.733) 8.104 6.613 ( -0.364 6.533 3.848) 7.591 6.641 ( -1.251 5.193 2.182) 5.770 6.821 ( -1.019 -4.886 3.706) 6.216 6.864 ( -2.230 -7.692 2.862) 8.505 6.989 ( 1.537 3.351 6.164) 7.182 7.101 ( 1.087 -6.756 4.469) 8.173 7.231 ( -3.227 3.673 -6.178) 7.878 7.305 ( -1.025 -2.032 -4.766) 5.282 7.405 ( 0.636 0.412 -3.518) 3.599 7.462 ( 3.720 -4.263 1.214) 5.787 7.653 ( 2.078 -0.247 -3.209) 3.832 7.663 ( 3.144 -0.841 -6.622) 7.378 7.977 ( -0.136 2.217 -2.778) 3.557 7.994 ( 0.372 0.510 -2.585) 2.661 8.106 ( -1.302 0.196 -5.785) 5.933 8.111 ( -0.962 -0.624 -5.337) 5.459 8.504 ( -0.850 5.728 -3.342) 6.686 8.573 ( -1.032 -0.328 -4.360) 4.492 8.718 ( -3.353 0.173 3.583) 4.910 8.758 ( -3.094 -4.512 1.597) 5.700 9.616 ( 3.786 5.680 -0.991) 6.897 9.630 ( 3.606 4.814 -1.768) 6.269 9.897 ( 0.022 -2.449 2.535) 3.524 9.928 ( 0.799 -5.839 1.983) 6.218 10.045 ( 0.606 2.544 0.858) 2.752 10.074 ( 1.174 0.577 -0.566) 1.425 10.213 ( -0.938 -1.995 2.401) 3.260 10.235 ( -0.097 -2.735 0.987) 2.909 10.389 ( 1.764 -0.043 3.010) 3.490 10.395 ( 2.157 -0.473 3.368) 4.027 10.488 ( 0.477 -0.015 1.723) 1.788 10.489 ( 0.338 -0.234 1.590) 1.642 10.668 ( 1.076 1.503 0.988) 2.096 10.702 ( 1.717 -1.298 -0.190) 2.160 10.730 ( 0.019 1.476 1.593) 2.172 10.767 ( 0.341 -1.560 0.846) 1.807 11.155 ( 0.812 3.212 2.988) 4.461 11.191 ( 1.317 -0.219 2.208) 2.580 11.418 ( -2.132 3.090 1.626) 4.091 11.464 ( -3.289 -1.073 -0.180) 3.464 11.800 ( -0.069 4.426 -4.213) 6.111 11.859 ( 0.703 -1.029 -7.155) 7.263 12.020 ( -3.484 0.748 -4.330) 5.608 12.062 ( -2.125 -2.887 -5.921) 6.922 13.120 ( 0.145 0.683 -0.724) 1.006 13.144 ( 0.042 -1.563 -1.603) 2.240 13.223 ( -1.435 0.366 -0.078) 1.483 13.229 ( -1.190 -0.175 -0.489) 1.298 13.818 ( 0.356 1.079 -0.169) 1.148 13.839 ( 0.294 -0.964 -1.129) 1.513 13.927 ( -0.435 0.200 1.237) 1.327 13.938 ( -0.391 -0.884 0.816) 1.265 24.593 ( 3.351 4.819 3.942) 7.071 24.682 ( 3.378 -3.571 -0.038) 4.916 25.010 ( -2.525 2.028 5.619) 6.485 25.041 ( -1.046 -0.123 3.546) 3.699 25.124 ( 1.014 4.143 4.367) 6.105 25.246 ( -1.545 -6.785 -0.510) 6.977 25.608 ( -5.958 0.452 1.033) 6.064 25.620 ( -6.528 -0.517 0.694) 6.585 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.33 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 4.546 3.636 11.822) 13.177 1.968 ( 5.162 0.716 8.741) 10.177 2.061 ( 0.433 4.181 5.707) 7.088 2.146 ( -0.583 -5.420 4.627) 7.150 2.311 ( -0.234 5.896 7.516) 9.556 2.398 ( 1.136 5.605 5.088) 7.654 2.415 ( 0.717 -0.461 4.218) 4.303 2.478 ( 0.149 -0.196 5.806) 5.811 2.633 ( 8.317 17.807 1.648) 19.722 2.858 ( 1.368 11.408 -4.219) 12.240 2.935 ( 7.547 -6.997 0.081) 10.292 3.059 ( 7.833 -2.569 -1.260) 8.339 3.256 ( 8.268 0.209 -7.466) 11.143 3.319 ( 6.811 5.703 -7.721) 11.770 3.388 ( 10.534 -12.098 -9.247) 18.515 3.500 ( 6.445 -11.607 -7.513) 15.255 3.786 ( 15.646 0.299 3.880) 16.122 3.796 ( 16.744 -0.664 4.404) 17.326 4.362 ( -13.913 4.082 3.120) 14.831 4.450 ( -13.833 -4.543 1.022) 14.596 4.576 ( -10.140 3.837 2.554) 11.139 4.648 ( -10.892 -2.522 1.601) 11.294 4.792 ( -11.909 -1.182 3.512) 12.472 4.804 ( -11.840 -2.281 2.957) 12.415 6.609 ( -0.029 7.122 2.677) 7.609 6.619 ( -0.687 6.721 1.945) 7.030 6.799 ( -0.924 -7.490 4.401) 8.737 6.818 ( -1.979 -8.914 3.770) 9.879 7.021 ( 1.839 3.388 2.486) 4.587 7.123 ( 0.718 -4.332 0.557) 4.426 7.156 ( -3.337 1.775 -3.540) 5.179 7.244 ( -3.827 -4.744 -5.155) 7.982 7.477 ( 5.234 4.013 1.631) 6.794 7.566 ( 5.672 -4.344 2.346) 7.519 7.665 ( -1.350 2.029 0.874) 2.589 7.712 ( 0.720 -2.202 -3.148) 3.908 7.989 ( 1.545 2.049 -5.693) 6.244 8.008 ( 1.052 0.149 -4.990) 5.102 8.072 ( -1.867 0.364 -5.311) 5.642 8.082 ( -1.832 -0.655 -6.091) 6.394 8.493 ( 0.001 6.254 -1.670) 6.473 8.544 ( -1.748 2.621 -0.707) 3.229 8.651 ( -2.274 -2.915 -0.035) 3.698 8.688 ( -3.193 -6.254 0.076) 7.022 9.701 ( 3.895 7.146 -0.823) 8.180 9.709 ( 3.569 5.031 -0.792) 6.219 9.881 ( -1.403 -2.188 0.948) 2.767 9.923 ( -1.864 -4.792 -0.370) 5.155 10.084 ( 3.339 -0.567 0.706) 3.460 10.102 ( 1.626 -1.545 -0.548) 2.309 10.183 ( -1.812 -1.487 1.219) 2.642 10.217 ( -1.685 -3.457 -0.609) 3.894 10.435 ( 2.305 0.930 3.044) 3.930 10.451 ( 2.656 -0.566 3.120) 4.137 10.488 ( -0.332 0.502 2.039) 2.126 10.499 ( 0.163 -0.482 2.021) 2.084 10.703 ( 2.241 1.852 2.183) 3.636 10.733 ( 1.412 -0.377 2.715) 3.083 10.757 ( 1.816 0.632 0.218) 1.935 10.778 ( 0.508 -0.853 1.382) 1.702 11.179 ( 1.550 5.293 1.904) 5.834 11.219 ( 1.200 2.079 1.261) 2.712 11.365 ( -2.766 -0.072 0.789) 2.877 11.382 ( -3.954 -1.750 0.099) 4.325 11.806 ( 0.865 4.631 -3.571) 5.911 11.879 ( 1.093 -2.239 -7.631) 8.027 11.934 ( -4.203 2.287 -2.338) 5.325 12.000 ( -3.567 -3.625 -5.757) 7.681 13.127 ( 0.642 0.562 -0.479) 0.979 13.147 ( 0.404 -1.325 -1.251) 1.867 13.186 ( -1.967 0.356 0.151) 2.004 13.197 ( -1.755 -0.636 -0.355) 1.900 13.835 ( 1.331 1.047 -0.274) 1.715 13.856 ( 1.287 -0.788 -1.235) 1.951 13.908 ( -1.312 0.192 0.555) 1.438 13.924 ( -1.058 -1.192 -0.347) 1.631 24.691 ( 5.897 4.880 3.868) 8.576 24.780 ( 5.747 -3.340 -0.053) 6.647 24.937 ( -4.470 3.007 4.836) 7.239 25.000 ( -3.141 -1.874 2.399) 4.375 25.163 ( 2.899 3.120 3.762) 5.683 25.222 ( -0.205 -1.917 1.196) 2.268 25.454 ( -8.157 -1.589 1.959) 8.538 25.456 ( -8.256 -1.254 2.097) 8.610 ======================= Grid point 122 (48/60) ======================= q-point: (-0.50 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -3.800 1.970 5.872) 7.267 2.021 ( 3.800 1.970 5.872) 7.267 2.076 ( -4.840 -3.445 3.617) 6.956 2.076 ( 4.840 -3.445 3.617) 6.956 2.350 ( -3.202 10.148 9.939) 14.561 2.350 ( 3.202 10.148 9.939) 14.561 2.457 ( -1.891 -1.084 4.761) 5.236 2.457 ( 1.891 -1.084 4.761) 5.236 2.799 ( -6.010 16.532 -1.492) 17.654 2.799 ( 6.010 16.532 -1.492) 17.654 3.093 ( -4.450 -10.539 -0.344) 11.445 3.093 ( 4.450 -10.539 -0.344) 11.445 3.390 ( -2.027 4.912 -7.211) 8.958 3.390 ( 2.027 4.912 -7.211) 8.958 3.554 ( -2.799 -11.373 -9.233) 14.914 3.554 ( 2.799 -11.373 -9.233) 14.914 4.083 ( -12.786 3.246 3.575) 13.667 4.083 ( 12.786 3.246 3.575) 13.667 4.151 ( -15.681 -3.243 2.095) 16.149 4.151 ( 15.681 -3.243 2.095) 16.149 4.515 ( -4.241 3.708 2.696) 6.246 4.515 ( 4.241 3.708 2.696) 6.246 4.607 ( -1.881 -4.444 4.463) 6.574 4.607 ( 1.881 -4.444 4.463) 6.574 6.611 ( -0.198 7.729 1.867) 7.954 6.611 ( 0.198 7.729 1.867) 7.954 6.791 ( -0.411 -9.418 4.489) 10.441 6.791 ( 0.411 -9.418 4.489) 10.441 7.072 ( -3.165 3.620 -0.747) 4.866 7.072 ( 3.165 3.620 -0.747) 4.866 7.172 ( -2.816 -5.620 -2.698) 6.840 7.172 ( 2.816 -5.620 -2.698) 6.840 7.587 ( -4.752 4.478 2.925) 7.155 7.587 ( 4.752 4.478 2.925) 7.155 7.679 ( -3.643 -4.196 0.814) 5.616 7.679 ( 3.643 -4.196 0.814) 5.616 8.030 ( -1.569 0.885 -5.698) 5.976 8.030 ( 1.569 0.885 -5.698) 5.976 8.040 ( -1.493 0.009 -6.748) 6.911 8.040 ( 1.493 0.009 -6.748) 6.911 8.508 ( -1.418 6.181 0.552) 6.365 8.508 ( 1.418 6.181 0.552) 6.365 8.641 ( -1.146 -6.620 -1.824) 6.962 8.641 ( 1.146 -6.620 -1.824) 6.962 9.752 ( -0.411 7.079 0.337) 7.099 9.752 ( 0.411 7.079 0.337) 7.099 9.873 ( -1.658 -3.656 -1.526) 4.295 9.873 ( 1.658 -3.656 -1.526) 4.295 10.142 ( -2.087 -1.606 0.225) 2.643 10.142 ( 2.087 -1.606 0.225) 2.643 10.162 ( -3.564 -3.353 -0.491) 4.918 10.162 ( 3.564 -3.353 -0.491) 4.918 10.472 ( -1.210 1.081 2.779) 3.218 10.472 ( 1.210 1.081 2.779) 3.218 10.490 ( -1.050 -0.616 2.476) 2.759 10.490 ( 1.050 -0.616 2.476) 2.759 10.747 ( -1.204 1.897 2.314) 3.225 10.747 ( 1.204 1.897 2.314) 3.225 10.777 ( -0.684 -1.004 2.025) 2.362 10.777 ( 0.684 -1.004 2.025) 2.362 11.218 ( -1.716 7.016 0.205) 7.226 11.218 ( 1.716 7.016 0.205) 7.226 11.331 ( -0.611 -4.157 0.877) 4.292 11.331 ( 0.611 -4.157 0.877) 4.292 11.845 ( -2.949 4.413 -3.059) 6.125 11.845 ( 2.949 4.413 -3.059) 6.125 11.931 ( -2.794 -3.849 -5.978) 7.639 11.931 ( 2.794 -3.849 -5.978) 7.639 13.148 ( -1.350 0.473 -0.167) 1.440 13.148 ( 1.350 0.473 -0.167) 1.440 13.165 ( -1.132 -1.100 -0.669) 1.714 13.165 ( 1.132 -1.100 -0.669) 1.714 13.867 ( -1.371 1.195 -0.358) 1.854 13.867 ( 1.371 1.195 -0.358) 1.854 13.896 ( -1.278 -1.593 -0.738) 2.171 13.896 ( 1.278 -1.593 -0.738) 2.171 24.819 ( -5.898 4.746 3.469) 8.327 24.819 ( 5.898 4.746 3.469) 8.327 24.909 ( -5.353 -3.875 1.346) 6.744 24.909 ( 5.353 -3.875 1.346) 6.744 25.229 ( -1.583 5.242 2.816) 6.157 25.229 ( 1.583 5.242 2.816) 6.157 25.339 ( -0.335 -5.475 2.697) 6.112 25.339 ( 0.335 -5.475 2.697) 6.112 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.000 0.000 -2.384) 2.384 1.755 ( 0.000 0.000 2.384) 2.384 1.883 ( 0.000 0.000 -13.889) 13.889 1.883 ( 0.000 0.000 13.889) 13.889 2.019 ( 0.000 0.000 -2.458) 2.458 2.019 ( 0.000 0.000 2.458) 2.458 2.452 ( 0.000 0.000 -6.544) 6.544 2.452 ( 0.000 0.000 6.544) 6.544 2.630 ( 0.000 0.000 -3.853) 3.853 2.630 ( 0.000 0.000 3.853) 3.853 2.936 ( 0.000 0.000 -5.087) 5.087 2.936 ( 0.000 0.000 5.087) 5.087 2.947 ( 0.000 0.000 -2.626) 2.626 2.947 ( 0.000 0.000 2.626) 2.626 3.164 ( 0.000 0.000 -0.301) 0.301 3.164 ( 0.000 0.000 0.301) 0.301 3.656 ( 0.000 0.000 -5.580) 5.580 3.656 ( 0.000 0.000 5.580) 5.580 4.710 ( 0.000 0.000 -5.968) 5.968 4.710 ( 0.000 0.000 5.968) 5.968 5.032 ( 0.000 0.000 -3.091) 3.091 5.032 ( 0.000 0.000 3.091) 3.091 5.145 ( 0.000 0.000 -2.891) 2.891 5.145 ( 0.000 0.000 2.891) 2.891 6.514 ( 0.000 0.000 -1.818) 1.818 6.514 ( 0.000 0.000 1.818) 1.818 7.032 ( 0.000 0.000 -6.012) 6.012 7.032 ( 0.000 0.000 6.012) 6.012 7.247 ( 0.000 0.000 -0.257) 0.257 7.247 ( 0.000 0.000 0.257) 0.257 7.268 ( 0.000 0.000 -13.273) 13.273 7.268 ( 0.000 0.000 13.273) 13.273 7.397 ( 0.000 0.000 -2.965) 2.965 7.397 ( 0.000 0.000 2.965) 2.965 7.612 ( 0.000 0.000 -7.157) 7.157 7.612 ( 0.000 0.000 7.157) 7.157 7.976 ( 0.000 0.000 -4.347) 4.347 7.976 ( 0.000 0.000 4.347) 4.347 8.005 ( 0.000 0.000 -10.939) 10.939 8.005 ( 0.000 0.000 10.939) 10.939 8.375 ( 0.000 0.000 -7.430) 7.430 8.375 ( 0.000 0.000 7.430) 7.430 8.896 ( 0.000 0.000 -6.642) 6.642 8.896 ( 0.000 0.000 6.642) 6.642 9.355 ( 0.000 0.000 -2.100) 2.100 9.355 ( 0.000 0.000 2.100) 2.100 9.972 ( 0.000 0.000 -0.350) 0.350 9.972 ( 0.000 0.000 0.350) 0.350 10.102 ( 0.000 0.000 -5.866) 5.866 10.102 ( 0.000 0.000 5.866) 5.866 10.332 ( 0.000 0.000 -6.412) 6.412 10.332 ( 0.000 0.000 6.412) 6.412 10.426 ( 0.000 0.000 -0.981) 0.981 10.426 ( 0.000 0.000 0.981) 0.981 10.429 ( 0.000 0.000 -1.347) 1.347 10.429 ( 0.000 0.000 1.347) 1.347 10.697 ( 0.000 0.000 -0.450) 0.450 10.697 ( 0.000 0.000 0.450) 0.450 10.859 ( 0.000 0.000 -4.032) 4.032 10.859 ( 0.000 0.000 4.032) 4.032 11.068 ( 0.000 0.000 -5.119) 5.119 11.068 ( 0.000 0.000 5.119) 5.119 11.411 ( 0.000 0.000 -3.250) 3.250 11.411 ( 0.000 0.000 3.250) 3.250 11.665 ( 0.000 0.000 -3.473) 3.473 11.665 ( 0.000 0.000 3.473) 3.473 12.096 ( 0.000 0.000 -1.420) 1.420 12.096 ( 0.000 0.000 1.420) 1.420 13.142 ( 0.000 0.000 -2.104) 2.104 13.142 ( 0.000 0.000 2.104) 2.104 13.229 ( 0.000 0.000 -0.089) 0.089 13.229 ( 0.000 0.000 0.089) 0.089 13.815 ( 0.000 0.000 -1.694) 1.694 13.815 ( 0.000 0.000 1.694) 1.694 13.970 ( 0.000 0.000 -1.246) 1.246 13.970 ( 0.000 0.000 1.246) 1.246 24.582 ( 0.000 0.000 -6.385) 6.385 24.582 ( 0.000 0.000 6.385) 6.385 25.030 ( 0.000 0.000 -3.149) 3.149 25.030 ( 0.000 0.000 3.149) 3.149 25.331 ( 0.000 0.000 -8.343) 8.343 25.331 ( 0.000 0.000 8.343) 8.343 25.673 ( 0.000 0.000 -0.763) 0.763 25.673 ( 0.000 0.000 0.763) 0.763 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 6.078 0.000 -4.430) 7.521 1.826 ( 6.078 0.000 4.430) 7.521 1.991 ( 8.987 0.000 -12.674) 15.537 1.991 ( 8.987 0.000 12.674) 15.537 2.033 ( 1.289 0.000 -5.207) 5.364 2.033 ( 1.289 0.000 5.207) 5.364 2.480 ( 0.743 0.000 -4.653) 4.712 2.480 ( 0.743 0.000 4.653) 4.712 2.550 ( -5.773 0.000 -3.094) 6.550 2.550 ( -5.773 0.000 3.094) 6.550 2.947 ( 2.981 0.000 -5.538) 6.289 2.947 ( 2.981 0.000 5.538) 6.289 2.986 ( 5.662 0.000 -5.296) 7.753 2.986 ( 5.662 0.000 5.296) 7.753 3.389 ( 17.795 0.000 -1.860) 17.892 3.389 ( 17.795 0.000 1.860) 17.892 3.679 ( 1.932 0.000 -5.779) 6.094 3.679 ( 1.932 0.000 5.779) 6.094 4.606 ( -9.339 0.000 -5.788) 10.988 4.606 ( -9.339 0.000 5.788) 10.988 4.950 ( -7.858 0.000 -3.390) 8.558 4.950 ( -7.858 0.000 3.390) 8.558 5.051 ( -8.622 0.000 -3.024) 9.137 5.051 ( -8.622 0.000 3.024) 9.137 6.507 ( -0.554 0.000 -1.402) 1.507 6.507 ( -0.554 0.000 1.402) 1.507 7.033 ( -0.097 0.000 -5.513) 5.514 7.033 ( -0.097 0.000 5.513) 5.514 7.241 ( -0.577 0.000 -0.565) 0.807 7.241 ( -0.577 0.000 0.565) 0.807 7.242 ( -2.027 0.000 -10.007) 10.211 7.242 ( -2.027 0.000 10.007) 10.211 7.441 ( 3.728 0.000 -9.335) 10.051 7.441 ( 3.728 0.000 9.335) 10.051 7.649 ( 3.191 0.000 -5.938) 6.741 7.649 ( 3.191 0.000 5.938) 6.741 7.964 ( -3.701 0.000 -11.041) 11.644 7.964 ( -3.701 0.000 11.041) 11.644 7.975 ( -0.179 0.000 -3.829) 3.834 7.975 ( -0.179 0.000 3.829) 3.834 8.385 ( 1.060 0.000 -7.054) 7.134 8.385 ( 1.060 0.000 7.054) 7.134 8.864 ( -2.957 0.000 -6.693) 7.317 8.864 ( -2.957 0.000 6.693) 7.317 9.403 ( 4.432 0.000 -3.108) 5.413 9.403 ( 4.432 0.000 3.108) 5.413 9.969 ( -0.863 0.000 -1.482) 1.715 9.969 ( -0.863 0.000 1.482) 1.715 10.135 ( 2.921 0.000 -5.352) 6.097 10.135 ( 2.921 0.000 5.352) 6.097 10.350 ( 1.862 0.000 -6.179) 6.453 10.350 ( 1.862 0.000 6.179) 6.453 10.425 ( -0.416 0.000 -1.120) 1.194 10.425 ( -0.416 0.000 1.120) 1.194 10.438 ( 1.176 0.000 -0.833) 1.441 10.438 ( 1.176 0.000 0.833) 1.441 10.697 ( 0.059 0.000 -1.263) 1.264 10.697 ( 0.059 0.000 1.263) 1.264 10.841 ( -1.558 0.000 -3.418) 3.757 10.841 ( -1.558 0.000 3.418) 3.757 11.052 ( -1.574 0.000 -5.115) 5.352 11.052 ( -1.574 0.000 5.115) 5.352 11.411 ( -0.008 0.000 -3.031) 3.031 11.411 ( -0.008 0.000 3.031) 3.031 11.677 ( 1.197 0.000 -4.737) 4.886 11.677 ( 1.197 0.000 4.737) 4.886 12.061 ( -3.168 0.000 -2.717) 4.173 12.061 ( -3.168 0.000 2.717) 4.173 13.142 ( 0.092 0.000 -1.999) 2.001 13.142 ( 0.092 0.000 1.999) 2.001 13.222 ( -0.747 0.000 -0.225) 0.780 13.222 ( -0.747 0.000 0.225) 0.780 13.818 ( 0.367 0.000 -1.693) 1.733 13.818 ( 0.367 0.000 1.693) 1.733 13.961 ( -0.817 0.000 -1.079) 1.354 13.961 ( -0.817 0.000 1.079) 1.354 24.615 ( 3.151 0.000 -6.321) 7.063 24.615 ( 3.151 0.000 6.321) 7.063 25.035 ( 0.536 0.000 -2.991) 3.039 25.035 ( 0.536 0.000 2.991) 3.039 25.279 ( -4.897 0.000 -8.011) 9.390 25.279 ( -4.897 0.000 8.011) 9.390 25.630 ( -3.767 0.000 -0.970) 3.890 25.630 ( -3.767 0.000 0.970) 3.890 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 5.293 0.000 -9.318) 10.716 1.959 ( 5.293 0.000 9.318) 10.716 2.079 ( 3.998 0.000 -10.644) 11.370 2.079 ( 3.998 0.000 10.644) 11.370 2.179 ( 8.148 0.000 -9.705) 12.672 2.179 ( 8.148 0.000 9.705) 12.672 2.416 ( -6.442 0.000 -0.617) 6.471 2.416 ( -6.442 0.000 0.617) 6.471 2.436 ( -5.220 0.000 -3.839) 6.480 2.436 ( -5.220 0.000 3.839) 6.480 3.067 ( 7.628 0.000 -3.833) 8.537 3.067 ( 7.628 0.000 3.833) 8.537 3.208 ( 13.572 0.000 -7.831) 15.669 3.208 ( 13.572 0.000 7.831) 15.669 3.714 ( 0.962 0.000 -5.589) 5.671 3.714 ( 0.962 0.000 5.589) 5.671 3.804 ( 20.806 0.000 -2.739) 20.986 3.804 ( 20.806 0.000 2.739) 20.986 4.381 ( -10.378 0.000 -6.796) 12.405 4.381 ( -10.378 0.000 6.796) 12.405 4.715 ( -14.516 0.000 -4.419) 15.174 4.715 ( -14.516 0.000 4.419) 15.174 4.831 ( -11.097 0.000 -2.770) 11.438 4.831 ( -11.097 0.000 2.770) 11.438 6.497 ( -0.341 0.000 -0.649) 0.733 6.497 ( -0.341 0.000 0.649) 0.733 7.025 ( -0.545 0.000 -3.472) 3.514 7.025 ( -0.545 0.000 3.472) 3.514 7.202 ( -1.511 0.000 -5.110) 5.329 7.202 ( -1.511 0.000 5.110) 5.329 7.227 ( -0.599 0.000 -0.505) 0.784 7.227 ( -0.599 0.000 0.505) 0.784 7.533 ( 4.701 0.000 -10.395) 11.409 7.533 ( 4.701 0.000 10.395) 11.409 7.721 ( 3.218 0.000 -3.239) 4.566 7.721 ( 3.218 0.000 3.239) 4.566 7.871 ( -4.809 0.000 -10.127) 11.210 7.871 ( -4.809 0.000 10.127) 11.210 7.968 ( -0.387 0.000 -2.377) 2.408 7.968 ( -0.387 0.000 2.377) 2.408 8.417 ( 1.783 0.000 -5.454) 5.738 8.417 ( 1.783 0.000 5.454) 5.738 8.790 ( -3.691 0.000 -5.611) 6.716 8.790 ( -3.691 0.000 5.611) 6.716 9.521 ( 6.409 0.000 -3.411) 7.260 9.521 ( 6.409 0.000 3.411) 7.260 9.914 ( -4.329 0.000 -1.669) 4.640 9.914 ( -4.329 0.000 1.669) 4.640 10.204 ( 3.261 0.000 -3.669) 4.909 10.204 ( 3.261 0.000 3.669) 4.909 10.409 ( 3.474 0.000 -4.716) 5.858 10.409 ( 3.474 0.000 4.716) 5.858 10.411 ( -0.856 0.000 -0.981) 1.301 10.411 ( -0.856 0.000 0.981) 1.302 10.467 ( 1.275 0.000 -1.037) 1.644 10.467 ( 1.275 0.000 1.037) 1.644 10.697 ( -0.194 0.000 -0.766) 0.791 10.697 ( -0.194 0.000 0.766) 0.791 10.807 ( -1.425 0.000 -1.934) 2.402 10.807 ( -1.425 0.000 1.934) 2.402 11.011 ( -1.915 0.000 -3.749) 4.210 11.011 ( -1.915 0.000 3.749) 4.210 11.410 ( -0.103 0.000 -1.995) 1.997 11.410 ( -0.103 0.000 1.995) 1.997 11.713 ( 2.215 0.000 -5.331) 5.772 11.713 ( 2.215 0.000 5.331) 5.772 11.979 ( -4.295 0.000 -3.727) 5.687 11.979 ( -4.295 0.000 3.727) 5.687 13.147 ( 0.370 0.000 -1.543) 1.587 13.147 ( 0.370 0.000 1.543) 1.587 13.200 ( -1.173 0.000 -0.573) 1.305 13.200 ( -1.173 0.000 0.573) 1.305 13.831 ( 0.886 0.000 -1.375) 1.635 13.831 ( 0.886 0.000 1.375) 1.635 13.940 ( -1.121 0.000 -0.925) 1.453 13.940 ( -1.121 0.000 0.925) 1.453 24.704 ( 5.135 0.000 -5.628) 7.619 24.704 ( 5.135 0.000 5.628) 7.619 25.050 ( 0.820 0.000 -2.151) 2.302 25.050 ( 0.820 0.000 2.151) 2.302 25.149 ( -6.883 0.000 -6.599) 9.535 25.149 ( -6.883 0.000 6.599) 9.535 25.543 ( -3.985 0.000 -1.195) 4.161 25.543 ( -3.985 0.000 1.195) 4.161 ======================= Grid point 146 (52/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 0.000 0.000 -0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 -0.000) 0.000 2.179 ( 0.000 0.000 0.000) 0.000 2.294 ( -0.000 0.000 0.000) 0.000 2.294 ( -0.000 0.000 0.000) 0.000 2.307 ( 0.000 0.000 -0.000) 0.000 2.307 ( -0.000 0.000 0.000) 0.000 2.338 ( -0.000 0.000 0.000) 0.000 2.338 ( -0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 -0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.389 ( -0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 -0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 4.089 ( -0.000 0.000 -0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.308 ( -0.000 0.000 0.000) 0.000 4.308 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 -0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 6.493 ( 0.000 0.000 0.000) 0.000 6.493 ( 0.000 0.000 0.000) 0.000 7.018 ( 0.000 0.000 0.000) 0.000 7.018 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.221 ( 0.000 0.000 0.000) 0.000 7.221 ( 0.000 0.000 0.000) 0.000 7.597 ( 0.000 0.000 -0.000) 0.000 7.597 ( 0.000 0.000 0.000) 0.000 7.758 ( -0.000 0.000 -0.000) 0.000 7.758 ( 0.000 0.000 0.000) 0.000 7.806 ( 0.000 0.000 -0.000) 0.000 7.806 ( -0.000 0.000 0.000) 0.000 7.963 ( 0.000 0.000 -0.000) 0.000 7.963 ( 0.000 0.000 0.000) 0.000 8.441 ( -0.000 0.000 -0.000) 0.000 8.441 ( 0.000 0.000 0.000) 0.000 8.744 ( 0.000 0.000 0.000) 0.000 8.744 ( 0.000 0.000 0.000) 0.000 9.612 ( 0.000 0.000 0.000) 0.000 9.612 ( 0.000 0.000 0.000) 0.000 9.843 ( -0.000 0.000 -0.000) 0.000 9.843 ( 0.000 0.000 0.000) 0.000 10.244 ( 0.000 0.000 -0.000) 0.000 10.244 ( 0.000 0.000 0.000) 0.000 10.398 ( -0.000 0.000 -0.000) 0.000 10.398 ( 0.000 0.000 0.000) 0.000 10.457 ( 0.000 0.000 -0.000) 0.000 10.457 ( 0.000 0.000 0.000) 0.000 10.479 ( 0.000 0.000 0.000) 0.000 10.479 ( 0.000 0.000 0.000) 0.000 10.691 ( -0.000 0.000 -0.000) 0.000 10.691 ( 0.000 0.000 0.000) 0.000 10.791 ( 0.000 0.000 0.000) 0.000 10.791 ( 0.000 0.000 0.000) 0.000 10.990 ( 0.000 0.000 0.000) 0.000 10.990 ( 0.000 0.000 0.000) 0.000 11.409 ( 0.000 0.000 0.000) 0.000 11.409 ( 0.000 0.000 0.000) 0.000 11.746 ( -0.000 0.000 -0.000) 0.000 11.746 ( 0.000 0.000 0.000) 0.000 11.922 ( 0.000 0.000 0.000) 0.000 11.922 ( 0.000 0.000 0.000) 0.000 13.154 ( 0.000 0.000 -0.000) 0.000 13.154 ( -0.000 0.000 0.000) 0.000 13.185 ( -0.000 0.000 0.000) 0.000 13.185 ( 0.000 0.000 0.000) 0.000 13.844 ( 0.000 0.000 0.000) 0.000 13.844 ( 0.000 0.000 0.000) 0.000 13.925 ( 0.000 0.000 0.000) 0.000 13.925 ( 0.000 0.000 0.000) 0.000 24.779 ( 0.000 0.000 -0.000) 0.000 24.779 ( 0.000 0.000 0.000) 0.000 25.055 ( 0.000 0.000 -0.000) 0.000 25.055 ( 0.000 0.000 0.000) 0.000 25.061 ( 0.000 0.000 0.000) 0.000 25.061 ( 0.000 0.000 0.000) 0.000 25.496 ( 0.000 0.000 0.000) 0.000 25.496 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 154 (53/60) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.000 8.029 -5.150) 9.539 1.851 ( 0.000 8.029 5.150) 9.539 1.966 ( 0.000 7.764 -6.593) 10.186 1.966 ( 0.000 7.764 6.593) 10.186 2.152 ( 0.000 11.491 -0.346) 11.496 2.152 ( 0.000 11.491 0.346) 11.496 2.445 ( 0.000 -0.824 -3.487) 3.584 2.445 ( 0.000 -0.824 3.487) 3.584 2.598 ( 0.000 -2.646 -0.954) 2.813 2.598 ( 0.000 -2.646 0.954) 2.813 2.903 ( 0.000 -2.984 -4.247) 5.190 2.903 ( 0.000 -2.984 4.247) 5.190 2.915 ( 0.000 -2.003 -0.075) 2.004 2.915 ( 0.000 -2.003 0.075) 2.004 3.177 ( 0.000 0.501 -1.868) 1.934 3.177 ( 0.000 0.501 1.868) 1.934 3.607 ( 0.000 -4.660 -4.238) 6.299 3.607 ( 0.000 -4.660 4.238) 6.299 4.738 ( 0.000 2.640 -5.840) 6.409 4.738 ( 0.000 2.640 5.840) 6.409 4.970 ( 0.000 -3.879 -3.659) 5.332 4.970 ( 0.000 -3.879 3.659) 5.332 5.158 ( 0.000 -0.741 -2.007) 2.139 5.158 ( 0.000 -0.741 2.007) 2.139 6.549 ( 0.000 3.900 -1.354) 4.128 6.549 ( 0.000 3.900 1.354) 4.128 7.039 ( 0.000 -0.966 -6.770) 6.839 7.039 ( 0.000 -0.966 6.770) 6.839 7.118 ( 0.000 -6.446 -2.943) 7.086 7.118 ( 0.000 -6.446 2.943) 7.086 7.303 ( 0.000 -2.053 -0.488) 2.111 7.303 ( 0.000 -2.053 0.488) 2.111 7.388 ( 0.000 0.752 -4.945) 5.002 7.388 ( 0.000 0.752 4.945) 5.002 7.572 ( 0.000 -3.487 -6.376) 7.267 7.572 ( 0.000 -3.487 6.376) 7.267 7.988 ( 0.000 1.113 -1.244) 1.669 7.988 ( 0.000 1.113 1.244) 1.669 8.015 ( 0.000 0.785 -4.955) 5.017 8.015 ( 0.000 0.785 4.955) 5.017 8.427 ( 0.000 4.226 -5.596) 7.012 8.427 ( 0.000 4.226 5.596) 7.012 8.858 ( 0.000 -2.906 -3.879) 4.847 8.858 ( 0.000 -2.906 3.879) 4.847 9.431 ( 0.000 6.519 -0.518) 6.539 9.431 ( 0.000 6.519 0.518) 6.539 9.993 ( 0.000 1.468 -0.875) 1.709 9.993 ( 0.000 1.468 0.875) 1.709 10.050 ( 0.000 -4.083 -2.579) 4.829 10.050 ( 0.000 -4.083 2.579) 4.829 10.307 ( 0.000 -2.415 -1.967) 3.115 10.307 ( 0.000 -2.415 1.967) 3.115 10.415 ( 0.000 -0.508 -0.022) 0.509 10.415 ( 0.000 -0.508 0.022) 0.509 10.467 ( 0.000 2.441 -0.255) 2.455 10.467 ( 0.000 2.441 0.255) 2.455 10.679 ( 0.000 -1.347 -0.212) 1.364 10.679 ( 0.000 -1.347 0.212) 1.364 10.807 ( 0.000 -3.017 -0.207) 3.024 10.807 ( 0.000 -3.017 0.207) 3.024 11.135 ( 0.000 4.274 -2.679) 5.044 11.135 ( 0.000 4.274 2.679) 5.044 11.429 ( 0.000 1.918 -3.212) 3.741 11.429 ( 0.000 1.918 3.212) 3.741 11.705 ( 0.000 3.270 -2.617) 4.188 11.705 ( 0.000 3.270 2.617) 4.188 12.068 ( 0.000 -2.508 -1.323) 2.836 12.068 ( 0.000 -2.508 1.323) 2.836 13.133 ( 0.000 -0.827 -1.719) 1.907 13.133 ( 0.000 -0.827 1.719) 1.907 13.231 ( 0.000 0.175 -0.024) 0.176 13.231 ( 0.000 0.175 0.024) 0.176 13.816 ( 0.000 0.177 -1.388) 1.399 13.816 ( 0.000 0.177 1.388) 1.399 13.964 ( 0.000 -0.574 -0.995) 1.149 13.964 ( 0.000 -0.574 0.995) 1.149 24.597 ( 0.000 1.340 -5.404) 5.567 24.597 ( 0.000 1.340 5.404) 5.567 25.049 ( 0.000 1.851 -2.151) 2.837 25.049 ( 0.000 1.851 2.151) 2.837 25.290 ( 0.000 -3.695 -7.680) 8.523 25.290 ( 0.000 -3.695 7.680) 8.523 25.679 ( 0.000 0.470 -0.902) 1.017 25.679 ( 0.000 0.470 0.902) 1.017 ======================= Grid point 156 (54/60) ======================= q-point: ( 0.17 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 4.775 6.147 -1.917) 8.016 1.907 ( 4.775 6.147 1.917) 8.016 2.069 ( 7.166 8.740 -9.714) 14.903 2.069 ( 7.166 8.740 9.714) 14.903 2.178 ( 3.344 11.545 -2.921) 12.370 2.178 ( 3.344 11.545 2.921) 12.370 2.436 ( -2.980 -4.235 -2.464) 5.735 2.436 ( -2.980 -4.235 2.464) 5.735 2.566 ( -0.914 2.029 -3.713) 4.329 2.566 ( -0.914 2.029 3.713) 4.329 2.911 ( 4.186 -3.029 -2.767) 5.861 2.911 ( 4.186 -3.029 2.767) 5.861 2.987 ( 5.427 -0.056 -1.144) 5.546 2.987 ( 5.427 -0.056 1.144) 5.546 3.359 ( 14.763 -3.486 -2.685) 15.405 3.359 ( 14.763 -3.486 2.685) 15.405 3.640 ( 3.453 -3.439 -3.919) 6.253 3.640 ( 3.453 -3.439 3.919) 6.253 4.633 ( -9.482 2.534 -5.621) 11.310 4.633 ( -9.482 2.534 5.621) 11.310 4.886 ( -8.048 -3.974 -3.808) 9.750 4.886 ( -8.048 -3.974 3.808) 9.750 5.072 ( -7.924 -0.164 -1.779) 8.123 5.072 ( -7.924 -0.164 1.779) 8.123 6.539 ( -0.830 3.632 -0.986) 3.854 6.539 ( -0.830 3.632 0.986) 3.854 7.035 ( -0.325 -1.418 -6.171) 6.340 7.035 ( -0.325 -1.418 6.171) 6.340 7.104 ( -1.226 -6.445 -2.087) 6.885 7.104 ( -1.226 -6.445 2.087) 6.885 7.274 ( -2.124 -2.019 -3.802) 4.801 7.274 ( -2.124 -2.019 3.802) 4.801 7.442 ( 4.440 0.895 -10.173) 11.136 7.442 ( 4.440 0.895 10.173) 11.136 7.615 ( 3.657 -3.003 -5.146) 6.991 7.615 ( 3.657 -3.003 5.146) 6.991 7.974 ( -1.876 1.209 -4.804) 5.297 7.974 ( -1.876 1.209 4.804) 5.297 7.995 ( -1.255 1.295 -0.991) 2.058 7.995 ( -1.255 1.295 0.991) 2.058 8.429 ( 0.313 3.649 -5.509) 6.615 8.429 ( 0.313 3.649 5.509) 6.615 8.825 ( -2.992 -3.142 -4.198) 6.037 8.825 ( -2.992 -3.142 4.198) 6.037 9.473 ( 3.858 6.206 -1.580) 7.476 9.473 ( 3.858 6.206 1.580) 7.476 9.982 ( -1.352 0.655 -1.829) 2.367 9.982 ( -1.352 0.655 1.829) 2.367 10.087 ( 3.204 -3.756 -2.461) 5.516 10.087 ( 3.204 -3.756 2.461) 5.516 10.304 ( -0.399 -3.445 -1.479) 3.770 10.304 ( -0.399 -3.445 1.479) 3.770 10.429 ( 1.372 -0.122 -0.692) 1.541 10.429 ( 1.372 -0.122 0.692) 1.541 10.477 ( 0.936 2.629 -0.266) 2.803 10.477 ( 0.936 2.629 0.266) 2.803 10.685 ( 0.602 -0.657 -1.042) 1.371 10.685 ( 0.602 -0.657 1.042) 1.371 10.799 ( -0.520 -2.430 -1.146) 2.736 10.799 ( -0.520 -2.430 1.146) 2.736 11.126 ( -1.020 5.151 -3.071) 6.083 11.126 ( -1.020 5.151 3.071) 6.083 11.419 ( -0.881 0.872 -2.656) 2.931 11.419 ( -0.881 0.872 2.656) 2.931 11.713 ( 0.823 2.942 -3.691) 4.791 11.713 ( 0.823 2.942 3.691) 4.791 12.037 ( -2.864 -2.187 -2.393) 4.326 12.037 ( -2.864 -2.187 2.393) 4.326 13.134 ( 0.133 -0.786 -1.638) 1.821 13.134 ( 0.133 -0.786 1.638) 1.821 13.222 ( -0.898 0.037 -0.233) 0.929 13.222 ( -0.898 0.037 0.233) 0.929 13.819 ( 0.328 0.118 -1.387) 1.430 13.819 ( 0.328 0.118 1.387) 1.430 13.955 ( -0.833 -0.575 -0.862) 1.329 13.955 ( -0.833 -0.575 0.862) 1.329 24.631 ( 3.218 1.403 -5.374) 6.419 24.631 ( 3.218 1.403 5.374) 6.419 25.049 ( -0.091 1.268 -1.983) 2.356 25.049 ( -0.091 1.268 1.983) 2.356 25.252 ( -3.366 -2.340 -7.092) 8.191 25.252 ( -3.366 -2.340 7.092) 8.191 25.628 ( -4.588 -0.214 -0.639) 4.638 25.628 ( -4.588 -0.214 0.639) 4.638 ======================= Grid point 158 (55/60) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 5.968 1.262 -0.765) 6.148 2.022 ( 5.968 1.262 0.765) 6.148 2.147 ( 1.565 10.141 -5.905) 11.839 2.147 ( 1.565 10.141 5.905) 11.839 2.295 ( 1.150 5.864 -4.811) 7.672 2.295 ( 1.150 5.864 4.811) 7.672 2.349 ( -0.108 1.929 -0.989) 2.171 2.349 ( -0.108 1.929 0.989) 2.171 2.539 ( -2.487 5.837 -4.932) 8.037 2.539 ( -2.487 5.837 4.932) 8.037 3.051 ( 7.937 -1.574 -2.275) 8.406 3.051 ( 7.937 -1.574 2.275) 8.406 3.192 ( 13.059 -1.336 -6.883) 14.823 3.192 ( 13.059 -1.336 6.883) 14.823 3.594 ( 4.477 -10.037 -5.167) 12.144 3.594 ( 4.477 -10.037 5.167) 12.144 3.834 ( 16.703 1.243 -1.587) 16.824 3.834 ( 16.703 1.243 1.587) 16.824 4.399 ( -11.528 1.462 -6.281) 13.209 4.399 ( -11.528 1.462 6.281) 13.209 4.662 ( -12.611 -3.005 -4.098) 13.596 4.662 ( -12.611 -3.005 4.098) 13.596 4.860 ( -11.480 0.668 -1.262) 11.569 4.860 ( -11.480 0.668 1.262) 11.569 6.523 ( -0.597 3.141 -0.390) 3.221 6.523 ( -0.597 3.141 0.390) 3.221 7.028 ( -0.257 -0.950 -4.432) 4.540 7.028 ( -0.257 -0.950 4.432) 4.540 7.075 ( -1.390 -7.542 -1.091) 7.746 7.075 ( -1.390 -7.542 1.091) 7.746 7.232 ( -1.632 -2.392 -1.907) 3.468 7.232 ( -1.632 -2.392 1.907) 3.468 7.548 ( 5.338 1.514 -10.218) 11.627 7.548 ( 5.338 1.514 10.218) 11.627 7.691 ( 2.715 -2.298 -1.556) 3.883 7.691 ( 2.715 -2.298 1.556) 3.883 7.915 ( -2.976 3.172 -6.339) 7.688 7.915 ( -2.976 3.172 6.339) 7.688 7.976 ( -0.839 0.613 -2.310) 2.533 7.976 ( -0.839 0.613 2.310) 2.533 8.443 ( 1.078 2.522 -4.468) 5.243 8.443 ( 1.078 2.522 4.468) 5.243 8.752 ( -3.574 -3.388 -4.015) 6.354 8.752 ( -3.574 -3.388 4.015) 6.354 9.574 ( 5.372 4.942 -2.181) 7.619 9.574 ( 5.372 4.942 2.181) 7.619 9.923 ( -4.152 0.586 -1.745) 4.542 9.923 ( -4.152 0.586 1.745) 4.542 10.162 ( 3.585 -3.788 -1.717) 5.491 10.162 ( 3.585 -3.788 1.717) 5.491 10.291 ( -0.874 -5.878 -0.187) 5.945 10.291 ( -0.874 -5.878 0.187) 5.945 10.466 ( 1.833 0.555 -1.520) 2.445 10.466 ( 1.833 0.555 1.520) 2.445 10.499 ( 0.962 2.229 -0.578) 2.495 10.499 ( 0.962 2.229 0.578) 2.495 10.704 ( 1.178 1.207 -1.079) 2.002 10.704 ( 1.178 1.207 1.079) 2.002 10.795 ( 0.136 -0.685 -1.098) 1.302 10.795 ( 0.136 -0.685 1.098) 1.302 11.092 ( -1.993 6.495 -2.662) 7.297 11.092 ( -1.993 6.495 2.662) 7.297 11.402 ( -0.618 -0.869 -1.384) 1.747 11.402 ( -0.618 -0.869 1.384) 1.747 11.739 ( 1.727 2.193 -4.256) 5.090 11.739 ( 1.727 2.193 4.256) 5.090 11.961 ( -4.017 -1.605 -3.273) 5.424 11.961 ( -4.017 -1.605 3.273) 5.424 13.140 ( 0.520 -0.641 -1.315) 1.553 13.140 ( 0.520 -0.641 1.315) 1.553 13.196 ( -1.466 -0.353 -0.572) 1.613 13.196 ( -1.466 -0.353 0.572) 1.613 13.833 ( 0.997 0.174 -1.166) 1.544 13.833 ( 0.997 0.174 1.166) 1.544 13.932 ( -1.259 -0.710 -0.796) 1.650 13.932 ( -1.259 -0.710 0.796) 1.650 24.723 ( 5.347 1.627 -4.947) 7.464 24.723 ( 5.347 1.627 4.947) 7.464 25.032 ( -2.226 -1.351 -1.868) 3.205 25.032 ( -2.226 -1.351 1.868) 3.205 25.178 ( -2.821 2.227 -3.834) 5.255 25.178 ( -2.821 2.227 3.834) 5.255 25.519 ( -5.079 -2.107 -0.625) 5.534 25.519 ( -5.079 -2.107 0.625) 5.534 ======================= Grid point 160 (56/60) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 0.000 -2.888 -0.000) 2.888 2.121 ( 0.000 -2.888 0.000) 2.888 2.156 ( -0.000 4.432 0.000) 4.432 2.156 ( 0.000 4.432 0.000) 4.432 2.226 ( 0.000 6.828 0.000) 6.828 2.226 ( -0.000 6.828 -0.000) 6.828 2.414 ( 0.000 7.039 -0.000) 7.039 2.414 ( 0.000 7.039 0.000) 7.039 2.492 ( -0.000 9.918 -0.000) 9.918 2.492 ( 0.000 9.918 0.000) 9.918 3.156 ( 0.000 -1.505 0.000) 1.505 3.156 ( 0.000 -1.505 0.000) 1.505 3.369 ( -0.000 -1.705 0.000) 1.705 3.369 ( 0.000 -1.705 0.000) 1.705 3.624 ( 0.000 -8.869 -0.000) 8.869 3.624 ( 0.000 -8.869 0.000) 8.869 4.102 ( -0.000 1.061 -0.000) 1.061 4.102 ( 0.000 1.061 0.000) 1.061 4.252 ( -0.000 -4.421 0.000) 4.421 4.252 ( 0.000 -4.421 0.000) 4.421 4.466 ( 0.000 2.483 -0.000) 2.483 4.466 ( 0.000 2.483 0.000) 2.483 4.705 ( 0.000 -0.000 0.000) 0.000 4.705 ( -0.000 -0.000 0.000) 0.000 6.517 ( 0.000 2.909 0.000) 2.909 6.517 ( 0.000 2.909 0.000) 2.909 7.026 ( 0.000 0.958 0.000) 0.958 7.026 ( 0.000 0.958 0.000) 0.958 7.057 ( 0.000 -9.647 -0.000) 9.647 7.057 ( 0.000 -9.647 0.000) 9.647 7.214 ( 0.000 -2.616 -0.000) 2.616 7.214 ( 0.000 -2.616 0.000) 2.616 7.623 ( 0.000 2.084 -0.000) 2.084 7.623 ( 0.000 2.084 0.000) 2.084 7.707 ( -0.000 -2.256 0.000) 2.256 7.707 ( 0.000 -2.256 0.000) 2.256 7.883 ( -0.000 4.308 0.000) 4.308 7.883 ( 0.000 4.308 0.000) 4.308 7.964 ( 0.000 0.089 -0.000) 0.089 7.964 ( 0.000 0.089 0.000) 0.089 8.459 ( 0.000 1.970 -0.000) 1.970 8.459 ( 0.000 1.970 0.000) 1.970 8.708 ( 0.000 -3.419 0.000) 3.419 8.708 ( 0.000 -3.419 0.000) 3.419 9.650 ( 0.000 3.736 0.000) 3.736 9.650 ( 0.000 3.736 0.000) 3.736 9.858 ( -0.000 1.111 0.000) 1.111 9.858 ( 0.000 1.111 0.000) 1.111 10.209 ( 0.000 -2.895 -0.000) 2.895 10.209 ( 0.000 -2.895 0.000) 2.895 10.274 ( -0.000 -7.904 -0.000) 7.904 10.274 ( 0.000 -7.904 0.000) 7.904 10.488 ( 0.000 0.669 -0.000) 0.669 10.488 ( 0.000 0.669 0.000) 0.669 10.509 ( 0.000 1.532 0.000) 1.532 10.509 ( 0.000 1.532 0.000) 1.532 10.721 ( 0.000 2.695 -0.000) 2.695 10.721 ( 0.000 2.695 0.000) 2.695 10.797 ( 0.000 0.452 0.000) 0.452 10.797 ( 0.000 0.452 0.000) 0.452 11.066 ( 0.000 6.740 0.000) 6.740 11.066 ( 0.000 6.740 0.000) 6.740 11.395 ( 0.000 -1.496 0.000) 1.496 11.395 ( 0.000 -1.496 0.000) 1.496 11.767 ( 0.000 1.902 -0.000) 1.902 11.767 ( 0.000 1.902 0.000) 1.902 11.907 ( 0.000 -1.470 0.000) 1.470 11.907 ( 0.000 -1.470 0.000) 1.470 13.151 ( 0.000 -0.247 -0.000) 0.247 13.151 ( -0.000 -0.247 0.000) 0.247 13.174 ( -0.000 -0.897 0.000) 0.897 13.174 ( 0.000 -0.897 0.000) 0.897 13.848 ( -0.000 0.461 -0.000) 0.461 13.848 ( 0.000 0.461 0.000) 0.461 13.914 ( 0.000 -1.016 0.000) 1.016 13.914 ( 0.000 -1.016 0.000) 1.016 24.804 ( 0.000 2.294 -0.000) 2.294 24.804 ( 0.000 2.294 0.000) 2.294 24.980 ( 0.000 -3.320 0.000) 3.320 24.980 ( 0.000 -3.320 0.000) 3.320 25.154 ( 0.000 5.086 0.000) 5.086 25.154 ( 0.000 5.086 0.000) 5.086 25.459 ( 0.000 -3.535 0.000) 3.535 25.459 ( 0.000 -3.535 0.000) 3.535 ======================= Grid point 168 (57/60) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 0.000 7.922 -11.760) 14.179 2.025 ( 0.000 7.922 11.760) 14.179 2.124 ( 0.000 5.033 -5.975) 7.812 2.124 ( 0.000 5.033 5.975) 7.812 2.307 ( 0.000 0.411 -8.600) 8.610 2.307 ( 0.000 0.411 8.600) 8.610 2.410 ( 0.000 -2.145 -9.013) 9.265 2.410 ( 0.000 -2.145 9.013) 9.265 2.621 ( 0.000 6.345 -3.443) 7.219 2.621 ( 0.000 6.345 3.443) 7.219 2.853 ( 0.000 -1.621 -2.970) 3.384 2.853 ( 0.000 -1.621 2.970) 3.384 2.872 ( 0.000 -2.328 -3.166) 3.930 2.872 ( 0.000 -2.328 3.166) 3.930 3.170 ( 0.000 -0.845 -1.831) 2.016 3.170 ( 0.000 -0.845 1.831) 2.016 3.501 ( 0.000 -4.235 -1.408) 4.463 3.501 ( 0.000 -4.235 1.408) 4.463 4.796 ( 0.000 2.283 -3.831) 4.459 4.796 ( 0.000 2.283 3.831) 4.459 4.918 ( 0.000 -1.082 -3.114) 3.297 4.918 ( 0.000 -1.082 3.114) 3.297 5.107 ( 0.000 -2.962 -0.495) 3.003 5.107 ( 0.000 -2.962 0.495) 3.003 6.674 ( 0.000 7.826 -0.792) 7.866 6.674 ( 0.000 7.826 0.792) 7.866 6.891 ( 0.000 -9.424 -1.727) 9.581 6.891 ( 0.000 -9.424 1.727) 9.581 7.121 ( 0.000 3.291 -5.750) 6.625 7.121 ( 0.000 3.291 5.750) 6.625 7.218 ( 0.000 -4.889 -5.306) 7.215 7.218 ( 0.000 -4.889 5.306) 7.215 7.427 ( 0.000 2.515 -7.722) 8.122 7.427 ( 0.000 2.515 7.722) 8.122 7.496 ( 0.000 -3.623 -6.414) 7.366 7.496 ( 0.000 -3.623 6.414) 7.366 8.010 ( 0.000 0.752 -0.069) 0.755 8.010 ( 0.000 0.752 0.069) 0.755 8.028 ( 0.000 0.371 -0.754) 0.841 8.028 ( 0.000 0.371 0.755) 0.841 8.501 ( 0.000 2.311 -2.225) 3.208 8.501 ( 0.000 2.311 2.225) 3.208 8.811 ( 0.000 -1.398 -0.729) 1.576 8.811 ( 0.000 -1.398 0.729) 1.576 9.565 ( 0.000 5.216 -0.356) 5.228 9.565 ( 0.000 5.216 0.356) 5.228 9.933 ( 0.000 -4.302 -0.951) 4.406 9.933 ( 0.000 -4.302 0.951) 4.406 10.052 ( 0.000 1.844 -0.442) 1.896 10.052 ( 0.000 1.844 0.442) 1.896 10.254 ( 0.000 -2.066 -0.240) 2.079 10.254 ( 0.000 -2.066 0.240) 2.079 10.409 ( 0.000 -0.091 -0.210) 0.229 10.409 ( 0.000 -0.091 0.210) 0.229 10.493 ( 0.000 0.152 -0.172) 0.229 10.493 ( 0.000 0.152 0.172) 0.229 10.668 ( 0.000 0.314 -0.495) 0.586 10.668 ( 0.000 0.314 0.495) 0.586 10.767 ( 0.000 -1.032 -0.785) 1.296 10.767 ( 0.000 -1.032 0.785) 1.296 11.194 ( 0.000 1.470 -0.937) 1.744 11.194 ( 0.000 1.470 0.937) 1.744 11.475 ( 0.000 1.800 -1.680) 2.462 11.475 ( 0.000 1.800 1.680) 2.462 11.762 ( 0.000 1.812 -1.208) 2.178 11.762 ( 0.000 1.812 1.208) 2.178 12.017 ( 0.000 -1.837 -0.770) 1.992 12.017 ( 0.000 -1.837 0.770) 1.992 13.116 ( 0.000 -0.567 -0.676) 0.882 13.116 ( 0.000 -0.567 0.676) 0.882 13.235 ( 0.000 0.144 -0.015) 0.145 13.235 ( 0.000 0.144 0.015) 0.145 13.820 ( 0.000 0.131 -0.543) 0.559 13.820 ( 0.000 0.131 0.543) 0.559 13.953 ( 0.000 -0.374 -0.370) 0.526 13.953 ( 0.000 -0.374 0.370) 0.526 24.623 ( 0.000 0.923 -2.264) 2.445 24.623 ( 0.000 0.923 2.264) 2.445 25.095 ( 0.000 2.277 -0.122) 2.280 25.095 ( 0.000 2.277 0.122) 2.280 25.210 ( 0.000 -3.381 -4.234) 5.418 25.210 ( 0.000 -3.381 4.234) 5.418 25.686 ( 0.000 0.157 -0.494) 0.518 25.686 ( 0.000 0.157 0.494) 0.518 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.17 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 1.268 8.336 -4.831) 9.718 2.054 ( 1.268 8.336 4.831) 9.718 2.194 ( 3.004 -2.018 -8.758) 9.476 2.194 ( 3.004 -2.018 8.758) 9.476 2.332 ( 4.037 2.329 -9.460) 10.546 2.332 ( 4.037 2.329 9.460) 10.546 2.403 ( 1.554 2.523 -2.383) 3.803 2.403 ( 1.554 2.523 2.383) 3.803 2.672 ( 4.339 7.933 -6.414) 11.086 2.672 ( 4.339 7.933 6.414) 11.086 2.854 ( 2.665 -1.539 -3.958) 5.014 2.854 ( 2.665 -1.539 3.958) 5.014 2.982 ( 7.447 -0.696 -3.458) 8.240 2.982 ( 7.447 -0.696 3.458) 8.240 3.240 ( 5.957 -6.782 -3.902) 9.834 3.240 ( 5.957 -6.782 3.902) 9.834 3.579 ( 8.281 -1.784 -0.884) 8.517 3.579 ( 8.281 -1.784 0.884) 8.517 4.687 ( -10.064 2.007 -3.447) 10.826 4.687 ( -10.064 2.007 3.447) 10.826 4.832 ( -7.887 -1.097 -3.010) 8.513 4.832 ( -7.887 -1.097 3.010) 8.513 5.033 ( -6.906 -2.449 -0.386) 7.338 5.033 ( -6.906 -2.449 0.386) 7.338 6.660 ( -1.100 7.871 -0.545) 7.966 6.660 ( -1.100 7.871 0.545) 7.966 6.877 ( -1.178 -9.760 -1.286) 9.915 6.877 ( -1.178 -9.760 1.286) 9.915 7.106 ( -1.361 2.861 -4.902) 5.837 7.106 ( -1.361 2.861 4.902) 5.837 7.196 ( -1.782 -4.408 -4.516) 6.558 7.196 ( -1.782 -4.408 4.516) 6.558 7.480 ( 4.624 2.614 -8.587) 10.098 7.480 ( 4.624 2.614 8.587) 10.098 7.546 ( 4.298 -3.531 -6.177) 8.313 7.546 ( 4.298 -3.531 6.177) 8.313 8.000 ( -1.041 0.915 -1.869) 2.327 8.000 ( -1.041 0.915 1.869) 2.327 8.014 ( -1.293 0.448 -0.849) 1.611 8.014 ( -1.293 0.448 0.849) 1.611 8.497 ( -0.189 2.288 -2.262) 3.223 8.497 ( -0.189 2.288 2.262) 3.223 8.769 ( -3.725 -1.829 -0.951) 4.258 8.769 ( -3.725 -1.829 0.951) 4.258 9.608 ( 3.719 5.563 -0.327) 6.699 9.608 ( 3.719 5.563 0.327) 6.699 9.936 ( -0.195 -4.255 -1.032) 4.383 9.936 ( -0.195 -4.255 1.032) 4.383 10.059 ( 0.787 0.818 -0.734) 1.351 10.059 ( 0.787 0.818 0.734) 1.351 10.241 ( -1.382 -2.142 -0.485) 2.595 10.241 ( -1.382 -2.142 0.485) 2.595 10.429 ( 1.918 0.090 -0.367) 1.955 10.429 ( 1.918 0.090 0.367) 1.955 10.502 ( 0.698 0.084 -0.041) 0.704 10.502 ( 0.698 0.084 0.041) 0.704 10.692 ( 2.163 1.014 -0.932) 2.564 10.692 ( 2.163 1.014 0.932) 2.564 10.764 ( 0.015 -1.111 -1.164) 1.609 10.764 ( 0.015 -1.111 1.164) 1.609 11.205 ( 0.812 2.152 -1.228) 2.607 11.205 ( 0.812 2.152 1.228) 2.607 11.443 ( -2.913 1.051 -1.244) 3.337 11.443 ( -2.913 1.051 1.244) 3.337 11.765 ( 0.281 1.591 -1.402) 2.139 11.765 ( 0.281 1.591 1.402) 2.139 11.993 ( -2.279 -1.562 -1.134) 2.986 11.993 ( -2.279 -1.562 1.134) 2.986 13.118 ( 0.208 -0.536 -0.644) 0.864 13.118 ( 0.208 -0.536 0.644) 0.864 13.223 ( -1.139 0.060 -0.119) 1.147 13.223 ( -1.139 0.060 0.119) 1.147 13.821 ( 0.266 0.091 -0.543) 0.612 13.821 ( 0.266 0.091 0.543) 0.612 13.944 ( -0.859 -0.372 -0.321) 0.990 13.944 ( -0.859 -0.372 0.321) 0.990 24.658 ( 3.346 0.973 -2.276) 4.162 24.658 ( 3.346 0.973 2.276) 4.162 25.076 ( -2.004 1.021 -0.560) 2.318 25.076 ( -2.004 1.021 0.560) 2.318 25.204 ( -0.215 -1.763 -3.352) 3.793 25.204 ( -0.215 -1.763 3.352) 3.793 25.624 ( -5.713 -0.164 -0.337) 5.725 25.624 ( -5.713 -0.164 0.337) 5.725 ======================= Grid point 172 (59/60) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 0.753 3.513 -0.736) 3.667 2.068 ( 0.753 3.513 0.736) 3.667 2.167 ( -3.100 -4.237 -3.446) 6.280 2.167 ( -3.100 -4.237 3.446) 6.280 2.437 ( 2.801 6.107 -1.985) 7.006 2.437 ( 2.801 6.107 1.985) 7.006 2.490 ( 4.787 3.613 -5.204) 7.940 2.490 ( 4.787 3.613 5.204) 7.940 2.737 ( 2.278 15.611 -8.632) 17.983 2.737 ( 2.278 15.611 8.632) 17.983 2.989 ( 7.835 -6.129 -4.097) 10.758 2.989 ( 7.835 -6.129 4.097) 10.758 3.173 ( 11.354 -0.037 -3.325) 11.831 3.173 ( 11.354 -0.037 3.325) 11.831 3.359 ( 4.814 -10.744 -5.194) 12.868 3.359 ( 4.814 -10.744 5.194) 12.868 3.845 ( 15.938 0.096 -0.513) 15.947 3.845 ( 15.938 0.096 0.513) 15.947 4.423 ( -14.201 0.610 -2.905) 14.508 4.423 ( -14.201 0.610 2.905) 14.508 4.636 ( -9.206 0.318 -2.414) 9.523 4.636 ( -9.206 0.318 2.414) 9.523 4.836 ( -11.494 -1.990 -0.300) 11.669 4.836 ( -11.494 -1.990 0.300) 11.669 6.639 ( -0.766 8.210 -0.274) 8.250 6.639 ( -0.766 8.210 0.274) 8.250 6.852 ( -1.119 -10.735 -0.583) 10.809 6.852 ( -1.119 -10.735 0.583) 10.809 7.076 ( -1.203 2.598 -2.985) 4.136 7.076 ( -1.203 2.598 2.985) 4.136 7.157 ( -1.710 -4.106 -2.615) 5.159 7.157 ( -1.710 -4.106 2.615) 5.159 7.589 ( 5.226 2.403 -7.613) 9.542 7.589 ( 5.226 2.403 7.613) 9.542 7.641 ( 4.000 -2.636 -3.706) 6.057 7.641 ( 4.000 -2.636 3.706) 6.057 7.967 ( -1.821 1.773 -3.635) 4.435 7.967 ( -1.821 1.773 3.635) 4.435 7.984 ( -1.448 -0.038 -2.486) 2.877 7.984 ( -1.448 -0.038 2.486) 2.877 8.503 ( 0.914 2.631 -2.054) 3.461 8.503 ( 0.914 2.631 2.054) 3.461 8.678 ( -4.470 -3.028 -1.332) 5.561 8.678 ( -4.470 -3.028 1.332) 5.561 9.695 ( 4.247 5.866 -0.300) 7.249 9.695 ( 4.247 5.866 0.300) 7.249 9.905 ( -2.800 -2.961 -1.235) 4.258 9.905 ( -2.800 -2.961 1.235) 4.258 10.092 ( 2.350 -1.774 -0.346) 2.965 10.092 ( 2.350 -1.773 0.346) 2.965 10.201 ( -2.307 -2.617 -0.811) 3.581 10.201 ( -2.307 -2.617 0.811) 3.581 10.477 ( 2.211 0.467 -0.677) 2.359 10.477 ( 2.211 0.467 0.677) 2.359 10.514 ( 0.377 -0.130 -0.432) 0.588 10.514 ( 0.377 -0.130 0.432) 0.588 10.745 ( 2.464 2.214 -1.491) 3.633 10.745 ( 2.464 2.214 1.491) 3.633 10.780 ( 1.488 -1.027 -1.317) 2.237 10.780 ( 1.488 -1.027 1.317) 2.237 11.218 ( 0.265 4.763 -1.466) 4.990 11.218 ( 0.265 4.763 1.466) 4.990 11.374 ( -3.126 -1.707 -0.614) 3.614 11.374 ( -3.126 -1.707 0.614) 3.614 11.781 ( 1.454 1.391 -1.608) 2.576 11.781 ( 1.454 1.391 1.608) 2.576 11.927 ( -3.787 -1.252 -1.525) 4.270 11.927 ( -3.787 -1.252 1.525) 4.270 13.127 ( 0.743 -0.451 -0.539) 1.023 13.127 ( 0.743 -0.451 0.539) 1.023 13.190 ( -1.923 -0.171 -0.276) 1.950 13.190 ( -1.923 -0.171 0.276) 1.950 13.837 ( 1.303 0.170 -0.502) 1.407 13.837 ( 1.303 0.170 0.502) 1.407 13.918 ( -1.605 -0.499 -0.355) 1.718 13.918 ( -1.605 -0.499 0.355) 1.718 24.755 ( 5.784 1.159 -2.265) 6.319 24.755 ( 5.784 1.159 2.265) 6.319 25.009 ( -4.449 -0.747 -1.710) 4.824 25.009 ( -4.449 -0.747 1.710) 4.824 25.218 ( 1.765 1.328 -1.518) 2.680 25.218 ( 1.765 1.328 1.518) 2.680 25.477 ( -7.661 -1.502 -0.112) 7.807 25.477 ( -7.661 -1.502 0.112) 7.807 ======================= Grid point 174 (60/60) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 0.000 0.007 -0.000) 0.007 2.092 ( 0.000 0.007 0.000) 0.007 2.115 ( -0.000 -2.177 0.000) 2.177 2.115 ( 0.000 -2.177 0.000) 2.177 2.476 ( 0.000 7.606 -0.000) 7.606 2.476 ( 0.000 7.606 0.000) 7.606 2.518 ( 0.000 2.322 0.000) 2.322 2.518 ( 0.000 2.322 0.000) 2.322 2.770 ( 0.000 18.361 -0.000) 18.361 2.770 ( 0.000 18.361 0.000) 18.361 3.079 ( 0.000 -8.607 0.000) 8.607 3.079 ( 0.000 -8.607 0.000) 8.607 3.340 ( 0.000 -0.408 0.000) 0.408 3.340 ( 0.000 -0.408 0.000) 0.408 3.412 ( -0.000 -9.176 -0.000) 9.176 3.412 ( 0.000 -9.176 0.000) 9.176 4.126 ( -0.000 1.400 -0.000) 1.400 4.126 ( 0.000 1.400 0.000) 1.400 4.170 ( -0.000 -3.238 0.000) 3.238 4.170 ( 0.000 -3.238 0.000) 3.238 4.546 ( 0.000 5.345 0.000) 5.345 4.546 ( 0.000 5.345 0.000) 5.345 4.657 ( -0.000 -4.726 0.000) 4.726 4.657 ( 0.000 -4.726 0.000) 4.726 6.631 ( 0.000 8.512 0.000) 8.512 6.631 ( 0.000 8.512 0.000) 8.512 6.839 ( 0.000 -11.388 0.000) 11.388 6.839 ( 0.000 -11.388 0.000) 11.388 7.063 ( 0.000 2.822 0.000) 2.822 7.063 ( 0.000 2.822 0.000) 2.822 7.137 ( 0.000 -4.269 0.000) 4.269 7.137 ( 0.000 -4.269 0.000) 4.269 7.659 ( 0.000 1.317 -0.000) 1.317 7.659 ( 0.000 1.317 0.000) 1.317 7.679 ( -0.000 -0.845 0.000) 0.845 7.679 ( -0.000 -0.845 0.000) 0.845 7.946 ( -0.000 1.844 0.000) 1.844 7.946 ( 0.000 1.844 0.000) 1.844 7.964 ( 0.000 -0.264 0.000) 0.264 7.964 ( 0.000 -0.264 0.000) 0.264 8.522 ( 0.000 4.222 -0.000) 4.222 8.522 ( 0.000 4.222 0.000) 4.222 8.619 ( -0.000 -5.007 0.000) 5.007 8.619 ( 0.000 -5.007 0.000) 5.007 9.755 ( 0.000 6.189 0.000) 6.189 9.755 ( 0.000 6.189 0.000) 6.189 9.856 ( -0.000 -2.513 -0.000) 2.513 9.856 ( 0.000 -2.513 0.000) 2.513 10.146 ( -0.000 -3.386 0.000) 3.386 10.146 ( 0.000 -3.386 -0.000) 3.386 10.149 ( -0.000 -2.525 -0.000) 2.525 10.149 ( 0.000 -2.525 0.000) 2.525 10.503 ( 0.000 0.797 -0.000) 0.797 10.503 ( 0.000 0.797 0.000) 0.797 10.516 ( -0.000 -0.402 -0.000) 0.402 10.516 ( 0.000 -0.402 0.000) 0.402 10.775 ( 0.000 2.176 -0.000) 2.176 10.775 ( 0.000 2.176 0.000) 2.176 10.800 ( 0.000 -0.357 0.000) 0.357 10.800 ( 0.000 -0.357 0.000) 0.357 11.217 ( 0.000 7.391 0.000) 7.391 11.217 ( -0.000 7.391 0.000) 7.391 11.338 ( 0.000 -4.394 0.000) 4.394 11.338 ( 0.000 -4.394 0.000) 4.394 11.814 ( 0.000 2.607 -0.000) 2.607 11.814 ( 0.000 2.607 0.000) 2.607 11.866 ( 0.000 -2.424 0.000) 2.424 11.866 ( 0.000 -2.424 0.000) 2.424 13.147 ( -0.000 0.053 0.000) 0.053 13.147 ( 0.000 0.053 -0.000) 0.053 13.156 ( -0.000 -0.770 0.000) 0.770 13.156 ( 0.000 -0.770 0.000) 0.770 13.863 ( -0.000 1.051 -0.000) 1.051 13.863 ( 0.000 1.051 0.000) 1.051 13.889 ( 0.000 -1.389 0.000) 1.389 13.889 ( 0.000 -1.389 0.000) 1.389 24.860 ( 0.000 3.062 0.000) 3.062 24.860 ( 0.000 3.062 0.000) 3.062 24.920 ( -0.000 -2.864 -0.000) 2.864 24.920 ( 0.000 -2.864 0.000) 2.864 25.259 ( -0.000 5.347 0.000) 5.347 25.259 ( 0.000 5.347 0.000) 5.347 25.367 ( -0.000 -5.228 0.000) 5.228 25.367 ( 0.000 -5.228 0.000) 5.228 =================== 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 3/20160 10.0 357.126 413.651 401.768 0.000 0.000 0.000 3/20160 20.0 84.934 101.695 95.066 0.000 0.000 0.000 3/20160 30.0 45.847 49.516 49.960 0.000 0.000 0.000 3/20160 40.0 31.466 31.811 32.546 0.000 0.000 0.000 3/20160 50.0 23.811 22.946 23.441 0.000 0.000 0.000 3/20160 60.0 18.809 17.534 17.837 0.000 0.000 0.000 3/20160 70.0 15.246 13.899 14.077 0.000 0.000 0.000 3/20160 80.0 12.618 11.331 11.427 0.000 0.000 0.000 3/20160 90.0 10.639 9.456 9.498 0.000 0.000 0.000 3/20160 100.0 9.123 8.050 8.057 0.000 0.000 0.000 3/20160 110.0 7.942 6.973 6.957 0.000 0.000 0.000 3/20160 120.0 7.008 6.130 6.099 0.000 0.000 0.000 3/20160 130.0 6.256 5.457 5.417 0.000 0.000 0.000 3/20160 140.0 5.643 4.912 4.866 0.000 0.000 0.000 3/20160 150.0 5.135 4.463 4.414 0.000 0.000 0.000 3/20160 160.0 4.709 4.088 4.037 0.000 0.000 0.000 3/20160 170.0 4.347 3.770 3.719 0.000 0.000 0.000 3/20160 180.0 4.037 3.499 3.448 0.000 0.000 0.000 3/20160 190.0 3.768 3.264 3.213 0.000 0.000 0.000 3/20160 200.0 3.534 3.060 3.010 0.000 0.000 0.000 3/20160 210.0 3.327 2.880 2.831 0.000 0.000 0.000 3/20160 220.0 3.144 2.721 2.673 0.000 0.000 0.000 3/20160 230.0 2.980 2.578 2.532 0.000 0.000 0.000 3/20160 240.0 2.833 2.451 2.405 0.000 0.000 0.000 3/20160 250.0 2.700 2.336 2.291 0.000 0.000 0.000 3/20160 260.0 2.580 2.231 2.188 0.000 0.000 0.000 3/20160 270.0 2.470 2.136 2.094 0.000 0.000 0.000 3/20160 280.0 2.370 2.049 2.008 0.000 0.000 0.000 3/20160 290.0 2.277 1.969 1.929 0.000 0.000 0.000 3/20160 300.0 2.192 1.895 1.857 0.000 0.000 0.000 3/20160 310.0 2.113 1.827 1.790 0.000 0.000 0.000 3/20160 320.0 2.040 1.764 1.727 0.000 0.000 0.000 3/20160 330.0 1.972 1.705 1.669 0.000 0.000 0.000 3/20160 340.0 1.909 1.650 1.615 0.000 0.000 0.000 3/20160 350.0 1.849 1.599 1.565 0.000 0.000 0.000 3/20160 360.0 1.794 1.551 1.518 0.000 0.000 0.000 3/20160 370.0 1.741 1.505 1.473 0.000 0.000 0.000 3/20160 380.0 1.692 1.463 1.431 0.000 0.000 0.000 3/20160 390.0 1.646 1.423 1.392 0.000 0.000 0.000 3/20160 400.0 1.602 1.385 1.355 0.000 0.000 0.000 3/20160 410.0 1.560 1.349 1.319 0.000 0.000 0.000 3/20160 420.0 1.521 1.315 1.286 0.000 0.000 0.000 3/20160 430.0 1.484 1.282 1.254 0.000 0.000 0.000 3/20160 440.0 1.448 1.252 1.224 0.000 0.000 0.000 3/20160 450.0 1.415 1.223 1.196 0.000 0.000 0.000 3/20160 460.0 1.382 1.195 1.168 0.000 0.000 0.000 3/20160 470.0 1.352 1.168 1.142 0.000 0.000 0.000 3/20160 480.0 1.322 1.143 1.117 0.000 0.000 0.000 3/20160 490.0 1.294 1.119 1.094 0.000 0.000 0.000 3/20160 500.0 1.268 1.095 1.071 0.000 0.000 0.000 3/20160 510.0 1.242 1.073 1.049 0.000 0.000 0.000 3/20160 520.0 1.217 1.052 1.028 0.000 0.000 0.000 3/20160 530.0 1.194 1.031 1.008 0.000 0.000 0.000 3/20160 540.0 1.171 1.012 0.989 0.000 0.000 0.000 3/20160 550.0 1.149 0.993 0.970 0.000 0.000 0.000 3/20160 560.0 1.128 0.974 0.953 0.000 0.000 0.000 3/20160 570.0 1.108 0.957 0.935 0.000 0.000 0.000 3/20160 580.0 1.088 0.940 0.919 0.000 0.000 0.000 3/20160 590.0 1.069 0.924 0.903 0.000 0.000 0.000 3/20160 600.0 1.051 0.908 0.887 0.000 0.000 0.000 3/20160 610.0 1.034 0.893 0.873 0.000 0.000 0.000 3/20160 620.0 1.017 0.878 0.858 0.000 0.000 0.000 3/20160 630.0 1.000 0.864 0.844 0.000 0.000 0.000 3/20160 640.0 0.984 0.850 0.831 0.000 0.000 0.000 3/20160 650.0 0.969 0.837 0.818 0.000 0.000 0.000 3/20160 660.0 0.954 0.824 0.805 0.000 0.000 0.000 3/20160 670.0 0.940 0.811 0.793 0.000 0.000 0.000 3/20160 680.0 0.926 0.799 0.781 0.000 0.000 0.000 3/20160 690.0 0.912 0.788 0.770 0.000 0.000 0.000 3/20160 700.0 0.899 0.776 0.759 0.000 0.000 0.000 3/20160 710.0 0.886 0.765 0.748 0.000 0.000 0.000 3/20160 720.0 0.874 0.754 0.737 0.000 0.000 0.000 3/20160 730.0 0.862 0.744 0.727 0.000 0.000 0.000 3/20160 740.0 0.850 0.734 0.717 0.000 0.000 0.000 3/20160 750.0 0.839 0.724 0.708 0.000 0.000 0.000 3/20160 760.0 0.828 0.714 0.698 0.000 0.000 0.000 3/20160 770.0 0.817 0.705 0.689 0.000 0.000 0.000 3/20160 780.0 0.806 0.696 0.680 0.000 0.000 0.000 3/20160 790.0 0.796 0.687 0.671 0.000 0.000 0.000 3/20160 800.0 0.786 0.678 0.663 0.000 0.000 0.000 3/20160 810.0 0.776 0.670 0.655 0.000 0.000 0.000 3/20160 820.0 0.767 0.662 0.647 0.000 0.000 0.000 3/20160 830.0 0.758 0.654 0.639 0.000 0.000 0.000 3/20160 840.0 0.749 0.646 0.631 0.000 0.000 0.000 3/20160 850.0 0.740 0.638 0.624 0.000 0.000 0.000 3/20160 860.0 0.731 0.631 0.617 0.000 0.000 0.000 3/20160 870.0 0.723 0.624 0.609 0.000 0.000 0.000 3/20160 880.0 0.715 0.616 0.603 0.000 0.000 0.000 3/20160 890.0 0.707 0.610 0.596 0.000 0.000 0.000 3/20160 900.0 0.699 0.603 0.589 0.000 0.000 0.000 3/20160 910.0 0.691 0.596 0.583 0.000 0.000 0.000 3/20160 920.0 0.684 0.590 0.576 0.000 0.000 0.000 3/20160 930.0 0.676 0.583 0.570 0.000 0.000 0.000 3/20160 940.0 0.669 0.577 0.564 0.000 0.000 0.000 3/20160 950.0 0.662 0.571 0.558 0.000 0.000 0.000 3/20160 960.0 0.655 0.565 0.552 0.000 0.000 0.000 3/20160 970.0 0.649 0.559 0.547 0.000 0.000 0.000 3/20160 980.0 0.642 0.554 0.541 0.000 0.000 0.000 3/20160 990.0 0.636 0.548 0.536 0.000 0.000 0.000 3/20160 1000.0 0.629 0.543 0.530 0.000 0.000 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m658.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:03:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|