----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:13:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.837318485000000 -6.948961655000002 0.000000000000000 b 1.837318485000000 6.948961655000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.651224620000001 Atomic positions (fractional): *1 S 0.62461173734317 0.37538826265683 0.55216107319270 32.065 2 S 0.37538826265683 0.62461173734317 0.44783892680730 32.065 3 S 0.37538826265683 0.62461173734317 0.05216107319270 32.065 *4 S 0.93558603523479 0.06441396476521 0.75000000000000 32.065 5 S 0.06441396476521 0.93558603523479 0.25000000000000 32.065 6 S 0.62461173734317 0.37538826265683 0.94783892680730 32.065 *7 Cu 0.53623769569263 0.46376230430737 0.75000000000000 63.546 8 Cu 0.46376230430737 0.53623769569263 0.25000000000000 63.546 *9 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 10 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 *11 Tl 0.74620758985307 0.25379241014693 0.25000000000000 204.383 12 Tl 0.25379241014693 0.74620758985307 0.75000000000000 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.674636970000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.897923310000003 0.000000000000000 c 0.000000000000000 0.000000000000000 9.651224620000001 Atomic positions (fractional): *1 S 0.00000000000000 0.37538826265683 0.55216107319270 32.065 > 1 2 S 0.50000000000000 0.12461173734317 0.44783892680730 32.065 > 2 3 S 0.50000000000000 0.12461173734317 0.05216107319270 32.065 > 3 *4 S 0.00000000000000 0.06441396476521 0.75000000000000 32.065 > 4 5 S 0.50000000000000 0.43558603523479 0.25000000000000 32.065 > 5 6 S 0.00000000000000 0.37538826265683 0.94783892680730 32.065 > 6 7 S 0.50000000000000 0.87538826265683 0.55216107319270 32.065 > 1 8 S 0.00000000000000 0.62461173734317 0.44783892680730 32.065 > 2 9 S 0.00000000000000 0.62461173734317 0.05216107319270 32.065 > 3 10 S 0.50000000000000 0.56441396476521 0.75000000000000 32.065 > 4 11 S 0.00000000000000 0.93558603523479 0.25000000000000 32.065 > 5 12 S 0.50000000000000 0.87538826265683 0.94783892680730 32.065 > 6 *13 Cu 0.00000000000000 0.46376230430737 0.75000000000000 63.546 > 7 14 Cu 0.50000000000000 0.03623769569263 0.25000000000000 63.546 > 8 15 Cu 0.50000000000000 0.96376230430737 0.75000000000000 63.546 > 7 16 Cu 0.00000000000000 0.53623769569263 0.25000000000000 63.546 > 8 *17 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 9 18 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 10 19 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 9 20 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 10 *21 Tl 0.00000000000000 0.25379241014693 0.25000000000000 204.383 > 11 22 Tl 0.50000000000000 0.24620758985307 0.75000000000000 204.383 > 12 23 Tl 0.50000000000000 0.75379241014693 0.25000000000000 204.383 > 11 24 Tl 0.00000000000000 0.74620758985307 0.75000000000000 204.383 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.023910910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.897923310000003 0.000000000000000 c 0.000000000000000 0.000000000000000 19.302449240000001 Atomic positions (fractional): *1 S 0.00000000000000 0.37538826265683 0.27608053659635 32.065 > 1 2 S 0.33333333333333 0.37538826265683 0.27608053659635 32.065 > 1 3 S 0.66666666666667 0.37538826265683 0.27608053659635 32.065 > 1 4 S 0.00000000000000 0.37538826265683 0.77608053659635 32.065 > 1 5 S 0.33333333333333 0.37538826265683 0.77608053659635 32.065 > 1 6 S 0.66666666666667 0.37538826265683 0.77608053659635 32.065 > 1 7 S 0.16666666666667 0.12461173734317 0.22391946340365 32.065 > 2 8 S 0.50000000000000 0.12461173734317 0.22391946340365 32.065 > 2 9 S 0.83333333333333 0.12461173734317 0.22391946340365 32.065 > 2 10 S 0.16666666666667 0.12461173734317 0.72391946340365 32.065 > 2 11 S 0.50000000000000 0.12461173734317 0.72391946340365 32.065 > 2 12 S 0.83333333333333 0.12461173734317 0.72391946340365 32.065 > 2 13 S 0.16666666666667 0.12461173734317 0.02608053659635 32.065 > 3 14 S 0.50000000000000 0.12461173734317 0.02608053659635 32.065 > 3 15 S 0.83333333333333 0.12461173734317 0.02608053659635 32.065 > 3 16 S 0.16666666666667 0.12461173734317 0.52608053659635 32.065 > 3 17 S 0.50000000000000 0.12461173734317 0.52608053659635 32.065 > 3 18 S 0.83333333333333 0.12461173734317 0.52608053659635 32.065 > 3 *19 S 0.00000000000000 0.06441396476521 0.37500000000000 32.065 > 4 20 S 0.33333333333333 0.06441396476521 0.37500000000000 32.065 > 4 21 S 0.66666666666667 0.06441396476521 0.37500000000000 32.065 > 4 22 S 0.00000000000000 0.06441396476521 0.87500000000000 32.065 > 4 23 S 0.33333333333333 0.06441396476521 0.87500000000000 32.065 > 4 24 S 0.66666666666667 0.06441396476521 0.87500000000000 32.065 > 4 25 S 0.16666666666667 0.43558603523479 0.12500000000000 32.065 > 5 26 S 0.50000000000000 0.43558603523479 0.12500000000000 32.065 > 5 27 S 0.83333333333333 0.43558603523479 0.12500000000000 32.065 > 5 28 S 0.16666666666667 0.43558603523479 0.62500000000000 32.065 > 5 29 S 0.50000000000000 0.43558603523479 0.62500000000000 32.065 > 5 30 S 0.83333333333333 0.43558603523479 0.62500000000000 32.065 > 5 31 S 0.00000000000000 0.37538826265683 0.47391946340365 32.065 > 6 32 S 0.33333333333333 0.37538826265683 0.47391946340365 32.065 > 6 33 S 0.66666666666667 0.37538826265683 0.47391946340365 32.065 > 6 34 S 0.00000000000000 0.37538826265683 0.97391946340365 32.065 > 6 35 S 0.33333333333333 0.37538826265683 0.97391946340365 32.065 > 6 36 S 0.66666666666667 0.37538826265683 0.97391946340365 32.065 > 6 37 S 0.16666666666667 0.87538826265683 0.27608053659635 32.065 > 1 38 S 0.50000000000000 0.87538826265683 0.27608053659635 32.065 > 1 39 S 0.83333333333333 0.87538826265683 0.27608053659635 32.065 > 1 40 S 0.16666666666667 0.87538826265683 0.77608053659635 32.065 > 1 41 S 0.50000000000000 0.87538826265683 0.77608053659635 32.065 > 1 42 S 0.83333333333333 0.87538826265683 0.77608053659635 32.065 > 1 43 S 0.00000000000000 0.62461173734317 0.22391946340365 32.065 > 2 44 S 0.33333333333333 0.62461173734317 0.22391946340365 32.065 > 2 45 S 0.66666666666667 0.62461173734317 0.22391946340365 32.065 > 2 46 S 0.00000000000000 0.62461173734317 0.72391946340365 32.065 > 2 47 S 0.33333333333333 0.62461173734317 0.72391946340365 32.065 > 2 48 S 0.66666666666667 0.62461173734317 0.72391946340365 32.065 > 2 49 S 0.00000000000000 0.62461173734317 0.02608053659635 32.065 > 3 50 S 0.33333333333333 0.62461173734317 0.02608053659635 32.065 > 3 51 S 0.66666666666667 0.62461173734317 0.02608053659635 32.065 > 3 52 S 0.00000000000000 0.62461173734317 0.52608053659635 32.065 > 3 53 S 0.33333333333333 0.62461173734317 0.52608053659635 32.065 > 3 54 S 0.66666666666667 0.62461173734317 0.52608053659635 32.065 > 3 55 S 0.16666666666667 0.56441396476521 0.37500000000000 32.065 > 4 56 S 0.50000000000000 0.56441396476521 0.37500000000000 32.065 > 4 57 S 0.83333333333333 0.56441396476521 0.37500000000000 32.065 > 4 58 S 0.16666666666667 0.56441396476521 0.87500000000000 32.065 > 4 59 S 0.50000000000000 0.56441396476521 0.87500000000000 32.065 > 4 60 S 0.83333333333333 0.56441396476521 0.87500000000000 32.065 > 4 61 S 0.00000000000000 0.93558603523479 0.12500000000000 32.065 > 5 62 S 0.33333333333333 0.93558603523479 0.12500000000000 32.065 > 5 63 S 0.66666666666667 0.93558603523479 0.12500000000000 32.065 > 5 64 S 0.00000000000000 0.93558603523479 0.62500000000000 32.065 > 5 65 S 0.33333333333333 0.93558603523479 0.62500000000000 32.065 > 5 66 S 0.66666666666667 0.93558603523479 0.62500000000000 32.065 > 5 67 S 0.16666666666667 0.87538826265683 0.47391946340365 32.065 > 6 68 S 0.50000000000000 0.87538826265683 0.47391946340365 32.065 > 6 69 S 0.83333333333333 0.87538826265683 0.47391946340365 32.065 > 6 70 S 0.16666666666667 0.87538826265683 0.97391946340365 32.065 > 6 71 S 0.50000000000000 0.87538826265683 0.97391946340365 32.065 > 6 72 S 0.83333333333333 0.87538826265683 0.97391946340365 32.065 > 6 *73 Cu 0.00000000000000 0.46376230430737 0.37500000000000 63.546 > 7 74 Cu 0.33333333333333 0.46376230430737 0.37500000000000 63.546 > 7 75 Cu 0.66666666666667 0.46376230430737 0.37500000000000 63.546 > 7 76 Cu 0.00000000000000 0.46376230430737 0.87500000000000 63.546 > 7 77 Cu 0.33333333333333 0.46376230430737 0.87500000000000 63.546 > 7 78 Cu 0.66666666666667 0.46376230430737 0.87500000000000 63.546 > 7 79 Cu 0.16666666666667 0.03623769569263 0.12500000000000 63.546 > 8 80 Cu 0.50000000000000 0.03623769569263 0.12500000000000 63.546 > 8 81 Cu 0.83333333333333 0.03623769569263 0.12500000000000 63.546 > 8 82 Cu 0.16666666666667 0.03623769569263 0.62500000000000 63.546 > 8 83 Cu 0.50000000000000 0.03623769569263 0.62500000000000 63.546 > 8 84 Cu 0.83333333333333 0.03623769569263 0.62500000000000 63.546 > 8 85 Cu 0.16666666666667 0.96376230430737 0.37500000000000 63.546 > 7 86 Cu 0.50000000000000 0.96376230430737 0.37500000000000 63.546 > 7 87 Cu 0.83333333333333 0.96376230430737 0.37500000000000 63.546 > 7 88 Cu 0.16666666666667 0.96376230430737 0.87500000000000 63.546 > 7 89 Cu 0.50000000000000 0.96376230430737 0.87500000000000 63.546 > 7 90 Cu 0.83333333333333 0.96376230430737 0.87500000000000 63.546 > 7 91 Cu 0.00000000000000 0.53623769569263 0.12500000000000 63.546 > 8 92 Cu 0.33333333333333 0.53623769569263 0.12500000000000 63.546 > 8 93 Cu 0.66666666666667 0.53623769569263 0.12500000000000 63.546 > 8 94 Cu 0.00000000000000 0.53623769569263 0.62500000000000 63.546 > 8 95 Cu 0.33333333333333 0.53623769569263 0.62500000000000 63.546 > 8 96 Cu 0.66666666666667 0.53623769569263 0.62500000000000 63.546 > 8 *97 Zr 0.00000000000000 0.00000000000000 0.25000000000000 91.224 > 9 98 Zr 0.33333333333333 0.00000000000000 0.25000000000000 91.224 > 9 99 Zr 0.66666666666667 0.00000000000000 0.25000000000000 91.224 > 9 100 Zr 0.00000000000000 0.00000000000000 0.75000000000000 91.224 > 9 101 Zr 0.33333333333333 0.00000000000000 0.75000000000000 91.224 > 9 102 Zr 0.66666666666667 0.00000000000000 0.75000000000000 91.224 > 9 103 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 10 104 Zr 0.33333333333333 0.00000000000000 0.00000000000000 91.224 > 10 105 Zr 0.66666666666667 0.00000000000000 0.00000000000000 91.224 > 10 106 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 10 107 Zr 0.33333333333333 0.00000000000000 0.50000000000000 91.224 > 10 108 Zr 0.66666666666667 0.00000000000000 0.50000000000000 91.224 > 10 109 Zr 0.16666666666667 0.50000000000000 0.25000000000000 91.224 > 9 110 Zr 0.50000000000000 0.50000000000000 0.25000000000000 91.224 > 9 111 Zr 0.83333333333333 0.50000000000000 0.25000000000000 91.224 > 9 112 Zr 0.16666666666667 0.50000000000000 0.75000000000000 91.224 > 9 113 Zr 0.50000000000000 0.50000000000000 0.75000000000000 91.224 > 9 114 Zr 0.83333333333333 0.50000000000000 0.75000000000000 91.224 > 9 115 Zr 0.16666666666667 0.50000000000000 0.00000000000000 91.224 > 10 116 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 10 117 Zr 0.83333333333333 0.50000000000000 0.00000000000000 91.224 > 10 118 Zr 0.16666666666667 0.50000000000000 0.50000000000000 91.224 > 10 119 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 10 120 Zr 0.83333333333333 0.50000000000000 0.50000000000000 91.224 > 10 *121 Tl 0.00000000000000 0.25379241014693 0.12500000000000 204.383 > 11 122 Tl 0.33333333333333 0.25379241014693 0.12500000000000 204.383 > 11 123 Tl 0.66666666666667 0.25379241014693 0.12500000000000 204.383 > 11 124 Tl 0.00000000000000 0.25379241014693 0.62500000000000 204.383 > 11 125 Tl 0.33333333333333 0.25379241014693 0.62500000000000 204.383 > 11 126 Tl 0.66666666666667 0.25379241014693 0.62500000000000 204.383 > 11 127 Tl 0.16666666666667 0.24620758985307 0.37500000000000 204.383 > 12 128 Tl 0.50000000000000 0.24620758985307 0.37500000000000 204.383 > 12 129 Tl 0.83333333333333 0.24620758985307 0.37500000000000 204.383 > 12 130 Tl 0.16666666666667 0.24620758985307 0.87500000000000 204.383 > 12 131 Tl 0.50000000000000 0.24620758985307 0.87500000000000 204.383 > 12 132 Tl 0.83333333333333 0.24620758985307 0.87500000000000 204.383 > 12 133 Tl 0.16666666666667 0.75379241014693 0.12500000000000 204.383 > 11 134 Tl 0.50000000000000 0.75379241014693 0.12500000000000 204.383 > 11 135 Tl 0.83333333333333 0.75379241014693 0.12500000000000 204.383 > 11 136 Tl 0.16666666666667 0.75379241014693 0.62500000000000 204.383 > 11 137 Tl 0.50000000000000 0.75379241014693 0.62500000000000 204.383 > 11 138 Tl 0.83333333333333 0.75379241014693 0.62500000000000 204.383 > 11 139 Tl 0.00000000000000 0.74620758985307 0.37500000000000 204.383 > 12 140 Tl 0.33333333333333 0.74620758985307 0.37500000000000 204.383 > 12 141 Tl 0.66666666666667 0.74620758985307 0.37500000000000 204.383 > 12 142 Tl 0.00000000000000 0.74620758985307 0.87500000000000 204.383 > 12 143 Tl 0.33333333333333 0.74620758985307 0.87500000000000 204.383 > 12 144 Tl 0.66666666666667 0.74620758985307 0.87500000000000 204.383 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 15.7864950 0.0000000 0.0000000 0.0000000 9.6893783 0.0000000 0.0000000 0.0000000 14.3553413 -------------------------- Born effective charges -------------------------- 1 S -4.9340997 0.0000000 0.0000000 0.0000000 -2.4114341 0.2270595 0.0000000 0.7664605 -2.1845795 2 S -4.9340997 0.0000000 0.0000000 0.0000000 -2.4114341 0.2270595 0.0000000 0.7664605 -2.1845795 3 S -4.9340997 0.0000000 0.0000000 0.0000000 -2.4114341 -0.2270595 0.0000000 -0.7664605 -2.1845795 4 S -1.2763073 0.0000000 0.0000000 0.0000000 -1.7469312 0.0000000 0.0000000 0.0000000 -5.7406810 5 S -1.2763073 0.0000000 0.0000000 0.0000000 -1.7469312 0.0000000 0.0000000 0.0000000 -5.7406810 6 S -4.9340997 0.0000000 0.0000000 0.0000000 -2.4114341 -0.2270595 0.0000000 -0.7664605 -2.1845795 7 Cu 0.3666212 0.0000000 0.0000000 0.0000000 0.2036215 0.0000000 0.0000000 0.0000000 -0.5143442 8 Cu 0.3666212 0.0000000 0.0000000 0.0000000 0.2036215 0.0000000 0.0000000 0.0000000 -0.5143442 9 Zr 8.7640490 0.0000000 0.0000000 0.0000000 3.0501736 0.4459002 0.0000000 -0.1912515 8.6264181 10 Zr 8.7640490 0.0000000 0.0000000 0.0000000 3.0501736 -0.4459002 0.0000000 0.1912515 8.6264181 11 Tl 2.0138365 0.0000000 0.0000000 0.0000000 3.3160043 0.0000000 0.0000000 0.0000000 1.9977661 12 Tl 2.0138365 0.0000000 0.0000000 0.0000000 3.3160043 0.0000000 0.0000000 0.0000000 1.9977661 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.675 Solver_block: 200 / 240 - Time: 1.631 Solver_block: 240 / 240 - Time: 0.726 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.057 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), 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 22:13:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:13:22]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.837318485000000 -6.948961655000002 0.000000000000000 b 1.837318485000000 6.948961655000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.651224620000001 Atomic positions (fractional): 1 S 0.62461173734317 0.37538826265683 0.55216107319270 32.065 2 S 0.37538826265683 0.62461173734317 0.44783892680730 32.065 3 S 0.37538826265683 0.62461173734317 0.05216107319270 32.065 4 S 0.93558603523479 0.06441396476521 0.75000000000000 32.065 5 S 0.06441396476521 0.93558603523479 0.25000000000000 32.065 6 S 0.62461173734317 0.37538826265683 0.94783892680730 32.065 7 Cu 0.53623769569263 0.46376230430737 0.75000000000000 63.546 8 Cu 0.46376230430737 0.53623769569263 0.25000000000000 63.546 9 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 10 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 11 Tl 0.74620758985307 0.25379241014693 0.25000000000000 204.383 12 Tl 0.25379241014693 0.74620758985307 0.75000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.023910910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.897923310000003 0.000000000000000 c 0.000000000000000 0.000000000000000 19.302449240000001 Atomic positions (fractional): 1 S 0.00000000000000 0.37538826265683 0.27608053659635 32.065 > 1 2 S 0.33333333333333 0.37538826265683 0.27608053659635 32.065 > 1 3 S 0.66666666666667 0.37538826265683 0.27608053659635 32.065 > 1 4 S 0.00000000000000 0.37538826265683 0.77608053659635 32.065 > 1 5 S 0.33333333333333 0.37538826265683 0.77608053659635 32.065 > 1 6 S 0.66666666666667 0.37538826265683 0.77608053659635 32.065 > 1 7 S 0.16666666666667 0.12461173734317 0.22391946340365 32.065 > 7 8 S 0.50000000000000 0.12461173734317 0.22391946340365 32.065 > 7 9 S 0.83333333333333 0.12461173734317 0.22391946340365 32.065 > 7 10 S 0.16666666666667 0.12461173734317 0.72391946340365 32.065 > 7 11 S 0.50000000000000 0.12461173734317 0.72391946340365 32.065 > 7 12 S 0.83333333333333 0.12461173734317 0.72391946340365 32.065 > 7 13 S 0.16666666666667 0.12461173734317 0.02608053659635 32.065 > 13 14 S 0.50000000000000 0.12461173734317 0.02608053659635 32.065 > 13 15 S 0.83333333333333 0.12461173734317 0.02608053659635 32.065 > 13 16 S 0.16666666666667 0.12461173734317 0.52608053659635 32.065 > 13 17 S 0.50000000000000 0.12461173734317 0.52608053659635 32.065 > 13 18 S 0.83333333333333 0.12461173734317 0.52608053659635 32.065 > 13 19 S 0.00000000000000 0.06441396476521 0.37500000000000 32.065 > 19 20 S 0.33333333333333 0.06441396476521 0.37500000000000 32.065 > 19 21 S 0.66666666666667 0.06441396476521 0.37500000000000 32.065 > 19 22 S 0.00000000000000 0.06441396476521 0.87500000000000 32.065 > 19 23 S 0.33333333333333 0.06441396476521 0.87500000000000 32.065 > 19 24 S 0.66666666666667 0.06441396476521 0.87500000000000 32.065 > 19 25 S 0.16666666666667 0.43558603523479 0.12500000000000 32.065 > 25 26 S 0.50000000000000 0.43558603523479 0.12500000000000 32.065 > 25 27 S 0.83333333333333 0.43558603523479 0.12500000000000 32.065 > 25 28 S 0.16666666666667 0.43558603523479 0.62500000000000 32.065 > 25 29 S 0.50000000000000 0.43558603523479 0.62500000000000 32.065 > 25 30 S 0.83333333333333 0.43558603523479 0.62500000000000 32.065 > 25 31 S 0.00000000000000 0.37538826265683 0.47391946340365 32.065 > 31 32 S 0.33333333333333 0.37538826265683 0.47391946340365 32.065 > 31 33 S 0.66666666666667 0.37538826265683 0.47391946340365 32.065 > 31 34 S 0.00000000000000 0.37538826265683 0.97391946340365 32.065 > 31 35 S 0.33333333333333 0.37538826265683 0.97391946340365 32.065 > 31 36 S 0.66666666666667 0.37538826265683 0.97391946340365 32.065 > 31 37 S 0.16666666666667 0.87538826265683 0.27608053659635 32.065 > 1 38 S 0.50000000000000 0.87538826265683 0.27608053659635 32.065 > 1 39 S 0.83333333333333 0.87538826265683 0.27608053659635 32.065 > 1 40 S 0.16666666666667 0.87538826265683 0.77608053659635 32.065 > 1 41 S 0.50000000000000 0.87538826265683 0.77608053659635 32.065 > 1 42 S 0.83333333333333 0.87538826265683 0.77608053659635 32.065 > 1 43 S 0.00000000000000 0.62461173734317 0.22391946340365 32.065 > 7 44 S 0.33333333333333 0.62461173734317 0.22391946340365 32.065 > 7 45 S 0.66666666666667 0.62461173734317 0.22391946340365 32.065 > 7 46 S 0.00000000000000 0.62461173734317 0.72391946340365 32.065 > 7 47 S 0.33333333333333 0.62461173734317 0.72391946340365 32.065 > 7 48 S 0.66666666666667 0.62461173734317 0.72391946340365 32.065 > 7 49 S 0.00000000000000 0.62461173734317 0.02608053659635 32.065 > 13 50 S 0.33333333333333 0.62461173734317 0.02608053659635 32.065 > 13 51 S 0.66666666666667 0.62461173734317 0.02608053659635 32.065 > 13 52 S 0.00000000000000 0.62461173734317 0.52608053659635 32.065 > 13 53 S 0.33333333333333 0.62461173734317 0.52608053659635 32.065 > 13 54 S 0.66666666666667 0.62461173734317 0.52608053659635 32.065 > 13 55 S 0.16666666666667 0.56441396476521 0.37500000000000 32.065 > 19 56 S 0.50000000000000 0.56441396476521 0.37500000000000 32.065 > 19 57 S 0.83333333333333 0.56441396476521 0.37500000000000 32.065 > 19 58 S 0.16666666666667 0.56441396476521 0.87500000000000 32.065 > 19 59 S 0.50000000000000 0.56441396476521 0.87500000000000 32.065 > 19 60 S 0.83333333333333 0.56441396476521 0.87500000000000 32.065 > 19 61 S 0.00000000000000 0.93558603523479 0.12500000000000 32.065 > 25 62 S 0.33333333333333 0.93558603523479 0.12500000000000 32.065 > 25 63 S 0.66666666666667 0.93558603523479 0.12500000000000 32.065 > 25 64 S 0.00000000000000 0.93558603523479 0.62500000000000 32.065 > 25 65 S 0.33333333333333 0.93558603523479 0.62500000000000 32.065 > 25 66 S 0.66666666666667 0.93558603523479 0.62500000000000 32.065 > 25 67 S 0.16666666666667 0.87538826265683 0.47391946340365 32.065 > 31 68 S 0.50000000000000 0.87538826265683 0.47391946340365 32.065 > 31 69 S 0.83333333333333 0.87538826265683 0.47391946340365 32.065 > 31 70 S 0.16666666666667 0.87538826265683 0.97391946340365 32.065 > 31 71 S 0.50000000000000 0.87538826265683 0.97391946340365 32.065 > 31 72 S 0.83333333333333 0.87538826265683 0.97391946340365 32.065 > 31 73 Cu 0.00000000000000 0.46376230430737 0.37500000000000 63.546 > 73 74 Cu 0.33333333333333 0.46376230430737 0.37500000000000 63.546 > 73 75 Cu 0.66666666666667 0.46376230430737 0.37500000000000 63.546 > 73 76 Cu 0.00000000000000 0.46376230430737 0.87500000000000 63.546 > 73 77 Cu 0.33333333333333 0.46376230430737 0.87500000000000 63.546 > 73 78 Cu 0.66666666666667 0.46376230430737 0.87500000000000 63.546 > 73 79 Cu 0.16666666666667 0.03623769569263 0.12500000000000 63.546 > 79 80 Cu 0.50000000000000 0.03623769569263 0.12500000000000 63.546 > 79 81 Cu 0.83333333333333 0.03623769569263 0.12500000000000 63.546 > 79 82 Cu 0.16666666666667 0.03623769569263 0.62500000000000 63.546 > 79 83 Cu 0.50000000000000 0.03623769569263 0.62500000000000 63.546 > 79 84 Cu 0.83333333333333 0.03623769569263 0.62500000000000 63.546 > 79 85 Cu 0.16666666666667 0.96376230430737 0.37500000000000 63.546 > 73 86 Cu 0.50000000000000 0.96376230430737 0.37500000000000 63.546 > 73 87 Cu 0.83333333333333 0.96376230430737 0.37500000000000 63.546 > 73 88 Cu 0.16666666666667 0.96376230430737 0.87500000000000 63.546 > 73 89 Cu 0.50000000000000 0.96376230430737 0.87500000000000 63.546 > 73 90 Cu 0.83333333333333 0.96376230430737 0.87500000000000 63.546 > 73 91 Cu 0.00000000000000 0.53623769569263 0.12500000000000 63.546 > 79 92 Cu 0.33333333333333 0.53623769569263 0.12500000000000 63.546 > 79 93 Cu 0.66666666666667 0.53623769569263 0.12500000000000 63.546 > 79 94 Cu 0.00000000000000 0.53623769569263 0.62500000000000 63.546 > 79 95 Cu 0.33333333333333 0.53623769569263 0.62500000000000 63.546 > 79 96 Cu 0.66666666666667 0.53623769569263 0.62500000000000 63.546 > 79 97 Zr 0.00000000000000 0.00000000000000 0.25000000000000 91.224 > 97 98 Zr 0.33333333333333 0.00000000000000 0.25000000000000 91.224 > 97 99 Zr 0.66666666666667 0.00000000000000 0.25000000000000 91.224 > 97 100 Zr 0.00000000000000 0.00000000000000 0.75000000000000 91.224 > 97 101 Zr 0.33333333333333 0.00000000000000 0.75000000000000 91.224 > 97 102 Zr 0.66666666666667 0.00000000000000 0.75000000000000 91.224 > 97 103 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 103 104 Zr 0.33333333333333 0.00000000000000 0.00000000000000 91.224 > 103 105 Zr 0.66666666666667 0.00000000000000 0.00000000000000 91.224 > 103 106 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 103 107 Zr 0.33333333333333 0.00000000000000 0.50000000000000 91.224 > 103 108 Zr 0.66666666666667 0.00000000000000 0.50000000000000 91.224 > 103 109 Zr 0.16666666666667 0.50000000000000 0.25000000000000 91.224 > 97 110 Zr 0.50000000000000 0.50000000000000 0.25000000000000 91.224 > 97 111 Zr 0.83333333333333 0.50000000000000 0.25000000000000 91.224 > 97 112 Zr 0.16666666666667 0.50000000000000 0.75000000000000 91.224 > 97 113 Zr 0.50000000000000 0.50000000000000 0.75000000000000 91.224 > 97 114 Zr 0.83333333333333 0.50000000000000 0.75000000000000 91.224 > 97 115 Zr 0.16666666666667 0.50000000000000 0.00000000000000 91.224 > 103 116 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 103 117 Zr 0.83333333333333 0.50000000000000 0.00000000000000 91.224 > 103 118 Zr 0.16666666666667 0.50000000000000 0.50000000000000 91.224 > 103 119 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 103 120 Zr 0.83333333333333 0.50000000000000 0.50000000000000 91.224 > 103 121 Tl 0.00000000000000 0.25379241014693 0.12500000000000 204.383 > 121 122 Tl 0.33333333333333 0.25379241014693 0.12500000000000 204.383 > 121 123 Tl 0.66666666666667 0.25379241014693 0.12500000000000 204.383 > 121 124 Tl 0.00000000000000 0.25379241014693 0.62500000000000 204.383 > 121 125 Tl 0.33333333333333 0.25379241014693 0.62500000000000 204.383 > 121 126 Tl 0.66666666666667 0.25379241014693 0.62500000000000 204.383 > 121 127 Tl 0.16666666666667 0.24620758985307 0.37500000000000 204.383 > 127 128 Tl 0.50000000000000 0.24620758985307 0.37500000000000 204.383 > 127 129 Tl 0.83333333333333 0.24620758985307 0.37500000000000 204.383 > 127 130 Tl 0.16666666666667 0.24620758985307 0.87500000000000 204.383 > 127 131 Tl 0.50000000000000 0.24620758985307 0.87500000000000 204.383 > 127 132 Tl 0.83333333333333 0.24620758985307 0.87500000000000 204.383 > 127 133 Tl 0.16666666666667 0.75379241014693 0.12500000000000 204.383 > 121 134 Tl 0.50000000000000 0.75379241014693 0.12500000000000 204.383 > 121 135 Tl 0.83333333333333 0.75379241014693 0.12500000000000 204.383 > 121 136 Tl 0.16666666666667 0.75379241014693 0.62500000000000 204.383 > 121 137 Tl 0.50000000000000 0.75379241014693 0.62500000000000 204.383 > 121 138 Tl 0.83333333333333 0.75379241014693 0.62500000000000 204.383 > 121 139 Tl 0.00000000000000 0.74620758985307 0.37500000000000 204.383 > 127 140 Tl 0.33333333333333 0.74620758985307 0.37500000000000 204.383 > 127 141 Tl 0.66666666666667 0.74620758985307 0.37500000000000 204.383 > 127 142 Tl 0.00000000000000 0.74620758985307 0.87500000000000 204.383 > 127 143 Tl 0.33333333333333 0.74620758985307 0.87500000000000 204.383 > 127 144 Tl 0.66666666666667 0.74620758985307 0.87500000000000 204.383 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 15.7864950 0.0000000 0.0000000 0.0000000 9.6893783 0.0000000 0.0000000 0.0000000 14.3553413 -------------------------- Born effective charges -------------------------- 1 S -4.9340997 0.0000000 0.0000000 0.0000000 -2.4114341 0.2270595 0.0000000 0.7664605 -2.1845795 2 S -4.9340997 0.0000000 0.0000000 0.0000000 -2.4114341 0.2270595 0.0000000 0.7664605 -2.1845795 3 S -4.9340997 0.0000000 0.0000000 0.0000000 -2.4114341 -0.2270595 0.0000000 -0.7664605 -2.1845795 4 S -1.2763073 0.0000000 0.0000000 0.0000000 -1.7469312 0.0000000 0.0000000 0.0000000 -5.7406810 5 S -1.2763073 0.0000000 0.0000000 0.0000000 -1.7469312 0.0000000 0.0000000 0.0000000 -5.7406810 6 S -4.9340997 0.0000000 0.0000000 0.0000000 -2.4114341 -0.2270595 0.0000000 -0.7664605 -2.1845795 7 Cu 0.3666212 0.0000000 0.0000000 0.0000000 0.2036215 0.0000000 0.0000000 0.0000000 -0.5143442 8 Cu 0.3666212 0.0000000 0.0000000 0.0000000 0.2036215 0.0000000 0.0000000 0.0000000 -0.5143442 9 Zr 8.7640490 0.0000000 0.0000000 0.0000000 3.0501736 0.4459002 0.0000000 -0.1912515 8.6264181 10 Zr 8.7640490 0.0000000 0.0000000 0.0000000 3.0501736 -0.4459002 0.0000000 0.1912515 8.6264181 11 Tl 2.0138365 0.0000000 0.0000000 0.0000000 3.3160043 0.0000000 0.0000000 0.0000000 1.9977661 12 Tl 2.0138365 0.0000000 0.0000000 0.0000000 3.3160043 0.0000000 0.0000000 0.0000000 1.9977661 ---------------------------------------------------------------------------- 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[ 19, 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[ 73, 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] Computing fc3[ 121, 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: 0.00000001 (xyx) 0.00000001 (xyx) 0.00000001 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:13:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:13:41]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.837318485000000 -6.948961655000002 0.000000000000000 b 1.837318485000000 6.948961655000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.651224620000001 Atomic positions (fractional): 1 S 0.62461173734317 0.37538826265683 0.55216107319270 32.065 2 S 0.37538826265683 0.62461173734317 0.44783892680730 32.065 3 S 0.37538826265683 0.62461173734317 0.05216107319270 32.065 4 S 0.93558603523479 0.06441396476521 0.75000000000000 32.065 5 S 0.06441396476521 0.93558603523479 0.25000000000000 32.065 6 S 0.62461173734317 0.37538826265683 0.94783892680730 32.065 7 Cu 0.53623769569263 0.46376230430737 0.75000000000000 63.546 8 Cu 0.46376230430737 0.53623769569263 0.25000000000000 63.546 9 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 10 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 11 Tl 0.74620758985307 0.25379241014693 0.25000000000000 204.383 12 Tl 0.25379241014693 0.74620758985307 0.75000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.023910910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.897923310000003 0.000000000000000 c 0.000000000000000 0.000000000000000 19.302449240000001 Atomic positions (fractional): 1 S 0.00000000000000 0.37538826265683 0.27608053659635 32.065 > 1 2 S 0.33333333333333 0.37538826265683 0.27608053659635 32.065 > 1 3 S 0.66666666666667 0.37538826265683 0.27608053659635 32.065 > 1 4 S 0.00000000000000 0.37538826265683 0.77608053659635 32.065 > 1 5 S 0.33333333333333 0.37538826265683 0.77608053659635 32.065 > 1 6 S 0.66666666666667 0.37538826265683 0.77608053659635 32.065 > 1 7 S 0.16666666666667 0.12461173734317 0.22391946340365 32.065 > 7 8 S 0.50000000000000 0.12461173734317 0.22391946340365 32.065 > 7 9 S 0.83333333333333 0.12461173734317 0.22391946340365 32.065 > 7 10 S 0.16666666666667 0.12461173734317 0.72391946340365 32.065 > 7 11 S 0.50000000000000 0.12461173734317 0.72391946340365 32.065 > 7 12 S 0.83333333333333 0.12461173734317 0.72391946340365 32.065 > 7 13 S 0.16666666666667 0.12461173734317 0.02608053659635 32.065 > 13 14 S 0.50000000000000 0.12461173734317 0.02608053659635 32.065 > 13 15 S 0.83333333333333 0.12461173734317 0.02608053659635 32.065 > 13 16 S 0.16666666666667 0.12461173734317 0.52608053659635 32.065 > 13 17 S 0.50000000000000 0.12461173734317 0.52608053659635 32.065 > 13 18 S 0.83333333333333 0.12461173734317 0.52608053659635 32.065 > 13 19 S 0.00000000000000 0.06441396476521 0.37500000000000 32.065 > 19 20 S 0.33333333333333 0.06441396476521 0.37500000000000 32.065 > 19 21 S 0.66666666666667 0.06441396476521 0.37500000000000 32.065 > 19 22 S 0.00000000000000 0.06441396476521 0.87500000000000 32.065 > 19 23 S 0.33333333333333 0.06441396476521 0.87500000000000 32.065 > 19 24 S 0.66666666666667 0.06441396476521 0.87500000000000 32.065 > 19 25 S 0.16666666666667 0.43558603523479 0.12500000000000 32.065 > 25 26 S 0.50000000000000 0.43558603523479 0.12500000000000 32.065 > 25 27 S 0.83333333333333 0.43558603523479 0.12500000000000 32.065 > 25 28 S 0.16666666666667 0.43558603523479 0.62500000000000 32.065 > 25 29 S 0.50000000000000 0.43558603523479 0.62500000000000 32.065 > 25 30 S 0.83333333333333 0.43558603523479 0.62500000000000 32.065 > 25 31 S 0.00000000000000 0.37538826265683 0.47391946340365 32.065 > 31 32 S 0.33333333333333 0.37538826265683 0.47391946340365 32.065 > 31 33 S 0.66666666666667 0.37538826265683 0.47391946340365 32.065 > 31 34 S 0.00000000000000 0.37538826265683 0.97391946340365 32.065 > 31 35 S 0.33333333333333 0.37538826265683 0.97391946340365 32.065 > 31 36 S 0.66666666666667 0.37538826265683 0.97391946340365 32.065 > 31 37 S 0.16666666666667 0.87538826265683 0.27608053659635 32.065 > 1 38 S 0.50000000000000 0.87538826265683 0.27608053659635 32.065 > 1 39 S 0.83333333333333 0.87538826265683 0.27608053659635 32.065 > 1 40 S 0.16666666666667 0.87538826265683 0.77608053659635 32.065 > 1 41 S 0.50000000000000 0.87538826265683 0.77608053659635 32.065 > 1 42 S 0.83333333333333 0.87538826265683 0.77608053659635 32.065 > 1 43 S 0.00000000000000 0.62461173734317 0.22391946340365 32.065 > 7 44 S 0.33333333333333 0.62461173734317 0.22391946340365 32.065 > 7 45 S 0.66666666666667 0.62461173734317 0.22391946340365 32.065 > 7 46 S 0.00000000000000 0.62461173734317 0.72391946340365 32.065 > 7 47 S 0.33333333333333 0.62461173734317 0.72391946340365 32.065 > 7 48 S 0.66666666666667 0.62461173734317 0.72391946340365 32.065 > 7 49 S 0.00000000000000 0.62461173734317 0.02608053659635 32.065 > 13 50 S 0.33333333333333 0.62461173734317 0.02608053659635 32.065 > 13 51 S 0.66666666666667 0.62461173734317 0.02608053659635 32.065 > 13 52 S 0.00000000000000 0.62461173734317 0.52608053659635 32.065 > 13 53 S 0.33333333333333 0.62461173734317 0.52608053659635 32.065 > 13 54 S 0.66666666666667 0.62461173734317 0.52608053659635 32.065 > 13 55 S 0.16666666666667 0.56441396476521 0.37500000000000 32.065 > 19 56 S 0.50000000000000 0.56441396476521 0.37500000000000 32.065 > 19 57 S 0.83333333333333 0.56441396476521 0.37500000000000 32.065 > 19 58 S 0.16666666666667 0.56441396476521 0.87500000000000 32.065 > 19 59 S 0.50000000000000 0.56441396476521 0.87500000000000 32.065 > 19 60 S 0.83333333333333 0.56441396476521 0.87500000000000 32.065 > 19 61 S 0.00000000000000 0.93558603523479 0.12500000000000 32.065 > 25 62 S 0.33333333333333 0.93558603523479 0.12500000000000 32.065 > 25 63 S 0.66666666666667 0.93558603523479 0.12500000000000 32.065 > 25 64 S 0.00000000000000 0.93558603523479 0.62500000000000 32.065 > 25 65 S 0.33333333333333 0.93558603523479 0.62500000000000 32.065 > 25 66 S 0.66666666666667 0.93558603523479 0.62500000000000 32.065 > 25 67 S 0.16666666666667 0.87538826265683 0.47391946340365 32.065 > 31 68 S 0.50000000000000 0.87538826265683 0.47391946340365 32.065 > 31 69 S 0.83333333333333 0.87538826265683 0.47391946340365 32.065 > 31 70 S 0.16666666666667 0.87538826265683 0.97391946340365 32.065 > 31 71 S 0.50000000000000 0.87538826265683 0.97391946340365 32.065 > 31 72 S 0.83333333333333 0.87538826265683 0.97391946340365 32.065 > 31 73 Cu 0.00000000000000 0.46376230430737 0.37500000000000 63.546 > 73 74 Cu 0.33333333333333 0.46376230430737 0.37500000000000 63.546 > 73 75 Cu 0.66666666666667 0.46376230430737 0.37500000000000 63.546 > 73 76 Cu 0.00000000000000 0.46376230430737 0.87500000000000 63.546 > 73 77 Cu 0.33333333333333 0.46376230430737 0.87500000000000 63.546 > 73 78 Cu 0.66666666666667 0.46376230430737 0.87500000000000 63.546 > 73 79 Cu 0.16666666666667 0.03623769569263 0.12500000000000 63.546 > 79 80 Cu 0.50000000000000 0.03623769569263 0.12500000000000 63.546 > 79 81 Cu 0.83333333333333 0.03623769569263 0.12500000000000 63.546 > 79 82 Cu 0.16666666666667 0.03623769569263 0.62500000000000 63.546 > 79 83 Cu 0.50000000000000 0.03623769569263 0.62500000000000 63.546 > 79 84 Cu 0.83333333333333 0.03623769569263 0.62500000000000 63.546 > 79 85 Cu 0.16666666666667 0.96376230430737 0.37500000000000 63.546 > 73 86 Cu 0.50000000000000 0.96376230430737 0.37500000000000 63.546 > 73 87 Cu 0.83333333333333 0.96376230430737 0.37500000000000 63.546 > 73 88 Cu 0.16666666666667 0.96376230430737 0.87500000000000 63.546 > 73 89 Cu 0.50000000000000 0.96376230430737 0.87500000000000 63.546 > 73 90 Cu 0.83333333333333 0.96376230430737 0.87500000000000 63.546 > 73 91 Cu 0.00000000000000 0.53623769569263 0.12500000000000 63.546 > 79 92 Cu 0.33333333333333 0.53623769569263 0.12500000000000 63.546 > 79 93 Cu 0.66666666666667 0.53623769569263 0.12500000000000 63.546 > 79 94 Cu 0.00000000000000 0.53623769569263 0.62500000000000 63.546 > 79 95 Cu 0.33333333333333 0.53623769569263 0.62500000000000 63.546 > 79 96 Cu 0.66666666666667 0.53623769569263 0.62500000000000 63.546 > 79 97 Zr 0.00000000000000 0.00000000000000 0.25000000000000 91.224 > 97 98 Zr 0.33333333333333 0.00000000000000 0.25000000000000 91.224 > 97 99 Zr 0.66666666666667 0.00000000000000 0.25000000000000 91.224 > 97 100 Zr 0.00000000000000 0.00000000000000 0.75000000000000 91.224 > 97 101 Zr 0.33333333333333 0.00000000000000 0.75000000000000 91.224 > 97 102 Zr 0.66666666666667 0.00000000000000 0.75000000000000 91.224 > 97 103 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 103 104 Zr 0.33333333333333 0.00000000000000 0.00000000000000 91.224 > 103 105 Zr 0.66666666666667 0.00000000000000 0.00000000000000 91.224 > 103 106 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 103 107 Zr 0.33333333333333 0.00000000000000 0.50000000000000 91.224 > 103 108 Zr 0.66666666666667 0.00000000000000 0.50000000000000 91.224 > 103 109 Zr 0.16666666666667 0.50000000000000 0.25000000000000 91.224 > 97 110 Zr 0.50000000000000 0.50000000000000 0.25000000000000 91.224 > 97 111 Zr 0.83333333333333 0.50000000000000 0.25000000000000 91.224 > 97 112 Zr 0.16666666666667 0.50000000000000 0.75000000000000 91.224 > 97 113 Zr 0.50000000000000 0.50000000000000 0.75000000000000 91.224 > 97 114 Zr 0.83333333333333 0.50000000000000 0.75000000000000 91.224 > 97 115 Zr 0.16666666666667 0.50000000000000 0.00000000000000 91.224 > 103 116 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 103 117 Zr 0.83333333333333 0.50000000000000 0.00000000000000 91.224 > 103 118 Zr 0.16666666666667 0.50000000000000 0.50000000000000 91.224 > 103 119 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 103 120 Zr 0.83333333333333 0.50000000000000 0.50000000000000 91.224 > 103 121 Tl 0.00000000000000 0.25379241014693 0.12500000000000 204.383 > 121 122 Tl 0.33333333333333 0.25379241014693 0.12500000000000 204.383 > 121 123 Tl 0.66666666666667 0.25379241014693 0.12500000000000 204.383 > 121 124 Tl 0.00000000000000 0.25379241014693 0.62500000000000 204.383 > 121 125 Tl 0.33333333333333 0.25379241014693 0.62500000000000 204.383 > 121 126 Tl 0.66666666666667 0.25379241014693 0.62500000000000 204.383 > 121 127 Tl 0.16666666666667 0.24620758985307 0.37500000000000 204.383 > 127 128 Tl 0.50000000000000 0.24620758985307 0.37500000000000 204.383 > 127 129 Tl 0.83333333333333 0.24620758985307 0.37500000000000 204.383 > 127 130 Tl 0.16666666666667 0.24620758985307 0.87500000000000 204.383 > 127 131 Tl 0.50000000000000 0.24620758985307 0.87500000000000 204.383 > 127 132 Tl 0.83333333333333 0.24620758985307 0.87500000000000 204.383 > 127 133 Tl 0.16666666666667 0.75379241014693 0.12500000000000 204.383 > 121 134 Tl 0.50000000000000 0.75379241014693 0.12500000000000 204.383 > 121 135 Tl 0.83333333333333 0.75379241014693 0.12500000000000 204.383 > 121 136 Tl 0.16666666666667 0.75379241014693 0.62500000000000 204.383 > 121 137 Tl 0.50000000000000 0.75379241014693 0.62500000000000 204.383 > 121 138 Tl 0.83333333333333 0.75379241014693 0.62500000000000 204.383 > 121 139 Tl 0.00000000000000 0.74620758985307 0.37500000000000 204.383 > 127 140 Tl 0.33333333333333 0.74620758985307 0.37500000000000 204.383 > 127 141 Tl 0.66666666666667 0.74620758985307 0.37500000000000 204.383 > 127 142 Tl 0.00000000000000 0.74620758985307 0.87500000000000 204.383 > 127 143 Tl 0.33333333333333 0.74620758985307 0.87500000000000 204.383 > 127 144 Tl 0.66666666666667 0.74620758985307 0.87500000000000 204.383 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 15.7864950 0.0000000 0.0000000 0.0000000 9.6893783 0.0000000 0.0000000 0.0000000 14.3553413 -------------------------- Born effective charges -------------------------- 1 S -4.9340997 0.0000000 0.0000000 0.0000000 -2.4114341 0.2270595 0.0000000 0.7664605 -2.1845795 2 S -4.9340997 0.0000000 0.0000000 0.0000000 -2.4114341 0.2270595 0.0000000 0.7664605 -2.1845795 3 S -4.9340997 0.0000000 0.0000000 0.0000000 -2.4114341 -0.2270595 0.0000000 -0.7664605 -2.1845795 4 S -1.2763073 0.0000000 0.0000000 0.0000000 -1.7469312 0.0000000 0.0000000 0.0000000 -5.7406810 5 S -1.2763073 0.0000000 0.0000000 0.0000000 -1.7469312 0.0000000 0.0000000 0.0000000 -5.7406810 6 S -4.9340997 0.0000000 0.0000000 0.0000000 -2.4114341 -0.2270595 0.0000000 -0.7664605 -2.1845795 7 Cu 0.3666212 0.0000000 0.0000000 0.0000000 0.2036215 0.0000000 0.0000000 0.0000000 -0.5143442 8 Cu 0.3666212 0.0000000 0.0000000 0.0000000 0.2036215 0.0000000 0.0000000 0.0000000 -0.5143442 9 Zr 8.7640490 0.0000000 0.0000000 0.0000000 3.0501736 0.4459002 0.0000000 -0.1912515 8.6264181 10 Zr 8.7640490 0.0000000 0.0000000 0.0000000 3.0501736 -0.4459002 0.0000000 0.1912515 8.6264181 11 Tl 2.0138365 0.0000000 0.0000000 0.0000000 3.3160043 0.0000000 0.0000000 0.0000000 1.9977661 12 Tl 2.0138365 0.0000000 0.0000000 0.0000000 3.3160043 0.0000000 0.0000000 0.0000000 1.9977661 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xyx) 0.00000001 (xyx) 0.00000001 (xxy) 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 ... [ 14 14 5 ] 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: 0.66, Number of G-points: 307, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 171 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 0.993 ( 0.000 0.000 0.000) 0.000 1.029 ( 0.000 0.000 0.000) 0.000 1.307 ( 0.000 0.000 0.000) 0.000 1.350 ( 0.000 0.000 0.000) 0.000 1.405 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 6.493 ( 0.000 0.000 0.000) 0.000 6.748 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.545 ( 0.000 0.000 0.000) 0.000 7.782 ( 0.000 0.000 0.000) 0.000 7.824 ( 0.000 0.000 0.000) 0.000 7.996 ( 0.000 0.000 0.000) 0.000 8.050 ( 0.000 0.000 0.000) 0.000 8.126 ( 0.000 0.000 0.000) 0.000 8.395 ( 0.000 0.000 0.000) 0.000 8.898 ( 0.000 0.000 0.000) 0.000 9.031 ( 0.000 0.000 0.000) 0.000 9.287 ( 0.000 0.000 0.000) 0.000 9.457 ( 0.000 0.000 0.000) 0.000 10.241 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 20.389 1.630 0.000) 20.454 0.429 ( 17.773 -2.506 0.000) 17.949 0.753 ( 28.255 -8.267 0.000) 29.440 1.049 ( 5.488 0.028 0.000) 5.488 1.099 ( 7.945 0.912 0.000) 7.997 1.225 ( -5.908 0.512 0.000) 5.930 1.383 ( -1.145 0.537 0.000) 1.265 1.574 ( 21.518 -0.270 0.000) 21.520 2.010 ( -1.115 -2.129 0.000) 2.403 2.393 ( 22.566 -0.008 0.000) 22.566 2.649 ( 6.414 -1.221 0.000) 6.529 2.654 ( 9.479 0.282 0.000) 9.483 2.686 ( 4.530 -0.119 0.000) 4.531 2.711 ( 6.454 0.157 0.000) 6.456 3.071 ( 1.380 -0.057 0.000) 1.381 3.485 ( -1.290 -0.248 0.000) 1.313 3.625 ( -3.158 0.127 0.000) 3.161 4.658 ( 38.647 0.291 0.000) 38.648 5.426 ( -2.257 -0.166 0.000) 2.263 6.492 ( -0.061 -0.167 0.000) 0.178 6.787 ( 3.880 1.153 0.000) 4.048 6.854 ( 2.016 0.062 0.000) 2.017 7.403 ( -1.825 0.214 0.000) 1.837 7.516 ( -1.239 4.611 0.000) 4.775 7.780 ( 4.271 12.631 0.000) 13.334 7.841 ( 7.499 3.033 0.000) 8.089 7.953 ( -4.328 0.051 0.000) 4.328 7.967 ( 4.290 17.681 0.000) 18.194 8.099 ( -2.361 0.814 0.000) 2.497 8.307 ( 2.133 18.798 0.000) 18.919 8.518 ( 6.006 18.347 0.000) 19.305 8.897 ( -0.012 -0.064 0.000) 0.066 9.133 ( -13.402 -38.557 0.000) 40.820 9.261 ( -2.632 0.025 0.000) 2.633 9.419 ( -3.857 -0.037 0.000) 3.858 10.219 ( -2.068 0.089 0.000) 2.069 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 6.118 -1.993 0.000) 6.435 0.762 ( 17.476 3.291 0.000) 17.783 1.096 ( -4.731 2.567 0.000) 5.383 1.168 ( 13.178 -5.085 0.000) 14.125 1.186 ( 8.078 -0.035 0.000) 8.078 1.354 ( -1.263 0.674 0.000) 1.432 1.371 ( 17.580 -0.835 0.000) 17.599 2.011 ( 1.162 0.523 0.000) 1.274 2.093 ( 25.594 -1.479 0.000) 25.636 2.716 ( 4.151 0.783 0.000) 4.224 2.800 ( 6.500 -0.168 0.000) 6.502 2.806 ( 9.194 -0.643 0.000) 9.216 2.938 ( 30.781 -0.225 0.000) 30.782 3.112 ( 2.759 -0.648 0.000) 2.834 3.118 ( 29.039 -0.579 0.000) 29.044 3.457 ( -1.744 -0.682 0.000) 1.873 3.545 ( -4.910 0.193 0.000) 4.914 5.376 ( -2.618 -0.455 0.000) 2.657 5.570 ( 51.309 0.518 0.000) 51.311 6.495 ( 0.350 -0.139 0.000) 0.376 6.861 ( 3.435 0.800 0.000) 3.527 6.903 ( 2.704 -0.294 0.000) 2.720 7.352 ( -3.085 0.377 0.000) 3.108 7.466 ( -1.149 4.599 0.000) 4.740 7.709 ( -7.553 3.689 0.000) 8.406 7.837 ( -7.107 0.039 0.000) 7.107 7.986 ( 2.342 4.225 0.000) 4.831 8.027 ( 10.799 1.396 0.000) 10.889 8.048 ( -0.135 -0.443 0.000) 0.463 8.246 ( -0.736 7.619 0.000) 7.655 8.553 ( 6.743 16.525 0.000) 17.848 8.901 ( 0.373 -0.159 0.000) 0.406 9.060 ( -8.497 -18.069 0.000) 19.967 9.189 ( -4.522 -0.007 0.000) 4.522 9.316 ( -6.425 0.084 0.000) 6.426 10.168 ( -2.807 0.133 0.000) 2.810 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 1.211 -1.183 0.000) 1.693 1.002 ( -3.952 1.548 0.000) 4.245 1.041 ( 12.800 3.111 0.000) 13.173 1.300 ( 1.007 1.714 0.000) 1.988 1.361 ( 6.402 -1.261 0.000) 6.525 1.396 ( 7.633 -0.565 0.000) 7.654 1.737 ( 18.344 -0.430 0.000) 18.350 2.061 ( 4.438 0.713 0.000) 4.495 2.442 ( 9.930 -0.042 0.000) 9.930 2.883 ( 13.044 -0.119 0.000) 13.045 2.920 ( 5.178 -0.458 0.000) 5.198 2.970 ( 7.262 -0.474 0.000) 7.278 3.144 ( 0.698 -0.195 0.000) 0.725 3.420 ( -2.861 -1.047 0.000) 3.047 3.431 ( -5.642 0.131 0.000) 5.644 3.593 ( 33.321 -0.097 0.000) 33.321 3.766 ( 35.018 -1.051 0.000) 35.034 5.339 ( -1.293 -0.301 0.000) 1.328 6.502 ( 12.447 0.743 0.000) 12.469 6.531 ( 33.472 -0.203 0.000) 33.472 6.881 ( -1.363 0.864 0.000) 1.613 6.955 ( 2.142 -0.884 0.000) 2.317 7.289 ( -2.713 0.416 0.000) 2.745 7.424 ( -2.473 2.999 0.000) 3.887 7.502 ( -10.489 -1.290 0.000) 10.568 7.696 ( -6.905 -0.109 0.000) 6.906 7.906 ( -5.547 1.800 0.000) 5.832 8.129 ( 5.076 1.315 0.000) 5.244 8.197 ( 0.542 2.168 0.000) 2.235 8.276 ( 11.309 -0.237 0.000) 11.311 8.616 ( 8.228 14.194 0.000) 16.406 8.916 ( 1.137 -0.282 0.000) 1.172 9.006 ( -3.925 -8.831 0.000) 9.664 9.091 ( -5.510 -0.081 0.000) 5.511 9.181 ( -7.006 0.006 0.000) 7.006 10.120 ( -1.794 0.090 0.000) 1.797 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -0.158 -0.462 0.000) 0.489 0.924 ( -3.522 0.273 0.000) 3.533 1.223 ( 7.047 1.451 0.000) 7.194 1.285 ( -0.611 1.256 0.000) 1.397 1.498 ( 5.846 0.527 0.000) 5.869 1.521 ( 6.634 2.472 0.000) 7.080 2.058 ( 14.053 -0.231 0.000) 14.055 2.168 ( 6.207 -0.036 0.000) 6.207 2.567 ( 4.914 0.677 0.000) 4.960 2.984 ( 0.169 -0.983 0.000) 0.998 3.046 ( -3.500 0.222 0.000) 3.507 3.149 ( 12.734 -0.259 0.000) 12.737 3.151 ( 3.485 -0.254 0.000) 3.494 3.308 ( -6.367 0.197 0.000) 6.370 3.345 ( -5.066 -0.660 0.000) 5.109 4.228 ( 30.753 0.356 0.000) 30.755 4.416 ( 29.962 -0.599 0.000) 29.968 5.332 ( 0.467 0.096 0.000) 0.477 6.545 ( 2.580 0.132 0.000) 2.583 6.806 ( -4.931 1.853 0.000) 5.268 6.986 ( 1.267 -0.912 0.000) 1.561 7.136 ( 7.097 0.745 0.000) 7.136 7.238 ( -11.555 -1.456 0.000) 11.646 7.379 ( 22.513 -0.346 0.000) 22.515 7.455 ( 1.013 -1.131 0.000) 1.518 7.587 ( -4.191 -0.324 0.000) 4.204 7.793 ( -4.273 3.360 0.000) 5.436 8.154 ( -2.080 -0.760 0.000) 2.214 8.210 ( 1.697 0.822 0.000) 1.885 8.491 ( 9.869 1.719 0.000) 10.018 8.740 ( 10.133 7.484 0.000) 12.597 8.948 ( 1.814 -0.425 0.000) 1.863 8.981 ( -5.627 -0.169 0.000) 5.629 9.002 ( 0.085 -3.131 0.000) 3.132 9.059 ( -5.276 -0.751 0.000) 5.329 10.104 ( 0.140 -0.050 0.000) 0.148 ======================= Grid point 5 (6/171) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.472 0.205 0.000) 0.515 0.862 ( -3.137 -1.037 0.000) 3.304 1.268 ( -0.432 0.846 0.000) 0.950 1.303 ( 1.792 0.634 0.000) 1.901 1.570 ( 3.748 4.373 0.000) 5.759 1.649 ( 6.750 0.496 0.000) 6.768 2.272 ( 3.300 -0.579 0.000) 3.351 2.279 ( 8.653 -0.113 0.000) 8.654 2.651 ( 4.097 0.616 0.000) 4.143 2.865 ( -12.414 0.784 0.000) 12.439 2.908 ( -8.010 -1.322 0.000) 8.118 3.191 ( -5.249 0.207 0.000) 5.253 3.256 ( 5.410 -0.123 0.000) 5.411 3.259 ( -2.746 0.359 0.000) 2.770 3.360 ( 8.261 -0.203 0.000) 8.264 4.751 ( 22.593 0.584 0.000) 22.601 4.899 ( 19.175 0.454 0.000) 19.180 5.353 ( 1.630 0.276 0.000) 1.653 6.605 ( 3.446 0.100 0.000) 3.447 6.698 ( -4.523 2.830 0.000) 5.335 7.006 ( 0.498 -0.983 0.000) 1.101 7.055 ( -7.952 -2.688 0.000) 8.394 7.146 ( -0.363 0.660 0.000) 0.753 7.502 ( 2.515 -2.961 0.000) 3.885 7.535 ( -1.545 -0.364 0.000) 1.587 7.713 ( -1.809 4.723 0.000) 5.057 7.832 ( 18.917 -0.282 0.000) 18.919 8.107 ( -2.786 -0.871 0.000) 2.919 8.216 ( -0.464 0.743 0.000) 0.876 8.630 ( 5.955 3.716 0.000) 7.019 8.878 ( -4.876 -0.186 0.000) 4.880 8.903 ( 8.100 1.678 0.000) 8.272 8.979 ( -2.191 -1.718 0.000) 2.785 8.988 ( 1.829 -0.583 0.000) 1.920 9.049 ( 2.068 -1.185 0.000) 2.383 10.122 ( 1.444 -0.210 0.000) 1.460 ======================= Grid point 6 (7/171) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -0.339 0.638 0.000) 0.723 0.815 ( -2.174 -1.524 0.000) 2.655 1.254 ( -0.719 0.717 0.000) 1.016 1.306 ( -0.484 0.671 0.000) 0.828 1.607 ( 1.994 3.041 0.000) 3.636 1.770 ( 5.696 0.376 0.000) 5.709 2.256 ( -5.414 -1.007 0.000) 5.507 2.397 ( 3.378 -0.134 0.000) 3.381 2.626 ( -9.889 0.902 0.000) 9.930 2.715 ( 2.561 0.287 0.000) 2.577 2.780 ( -3.617 -0.504 0.000) 3.652 3.107 ( -3.043 0.123 0.000) 3.045 3.221 ( -1.253 0.374 0.000) 1.308 3.344 ( 3.295 -0.052 0.000) 3.295 3.479 ( 3.948 -0.090 0.000) 3.949 5.082 ( 11.460 0.440 0.000) 11.468 5.157 ( 8.144 0.822 0.000) 8.186 5.384 ( 1.432 0.194 0.000) 1.445 6.612 ( -2.631 2.454 0.000) 3.598 6.665 ( 2.378 0.027 0.000) 2.378 6.962 ( -3.220 -2.553 0.000) 4.109 7.019 ( 0.428 -0.587 0.000) 0.727 7.147 ( 0.603 0.394 0.000) 0.720 7.520 ( -0.349 -0.213 0.000) 0.409 7.571 ( 2.238 -4.478 0.000) 5.006 7.667 ( -0.424 5.713 0.000) 5.729 8.066 ( -1.631 -0.415 0.000) 1.683 8.101 ( 8.895 -0.101 0.000) 8.896 8.197 ( -0.852 0.519 0.000) 0.998 8.691 ( 2.280 2.563 0.000) 3.430 8.801 ( -2.894 -0.148 0.000) 2.897 8.980 ( 1.116 -1.387 0.000) 1.780 9.011 ( 3.057 -0.123 0.000) 3.059 9.018 ( 0.867 -0.471 0.000) 0.986 9.092 ( 1.673 -0.650 0.000) 1.795 10.152 ( 1.233 -0.215 0.000) 1.251 ======================= Grid point 7 (8/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.000 -0.000 0.000) 0.000 0.797 ( 0.000 -0.000 0.000) 0.000 1.240 ( 0.000 -0.000 0.000) 0.000 1.298 ( 0.000 -0.000 0.000) 0.000 1.618 ( 0.000 -0.000 0.000) 0.000 1.838 ( -0.000 -0.000 0.000) 0.000 2.173 ( 0.000 -0.000 0.000) 0.000 2.419 ( 0.000 -0.000 0.000) 0.000 2.529 ( 0.000 -0.000 0.000) 0.000 2.744 ( 0.000 -0.000 0.000) 0.000 2.754 ( -0.000 -0.000 0.000) 0.000 3.076 ( 0.000 -0.000 0.000) 0.000 3.207 ( 0.000 -0.000 0.000) 0.000 3.377 ( 0.000 -0.000 0.000) 0.000 3.517 ( 0.000 -0.000 0.000) 0.000 5.191 ( 0.000 -0.000 0.000) 0.000 5.229 ( 0.000 -0.000 0.000) 0.000 5.398 ( 0.000 -0.000 0.000) 0.000 6.579 ( 0.000 -0.000 0.000) 0.000 6.689 ( 0.000 -0.000 0.000) 0.000 6.940 ( 0.000 -0.000 0.000) 0.000 7.026 ( 0.000 -0.000 0.000) 0.000 7.154 ( 0.000 -0.000 0.000) 0.000 7.518 ( 0.000 -0.000 0.000) 0.000 7.627 ( 0.000 -0.000 0.000) 0.000 7.628 ( -0.000 0.000 0.000) 0.000 8.051 ( 0.000 -0.000 0.000) 0.000 8.186 ( 0.000 -0.000 0.000) 0.000 8.187 ( 0.000 -0.000 0.000) 0.000 8.705 ( 0.000 -0.000 0.000) 0.000 8.772 ( 0.000 -0.000 0.000) 0.000 9.006 ( 0.000 -0.000 0.000) 0.000 9.027 ( 0.000 -0.000 0.000) 0.000 9.031 ( -0.000 -0.000 0.000) 0.000 9.113 ( 0.000 -0.000 0.000) 0.000 10.165 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 16 (9/171) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 6.581 0.000 0.000) 6.581 0.783 ( 17.411 0.000 0.000) 17.411 1.110 ( -5.404 -0.000 0.000) 5.404 1.138 ( 14.916 0.000 0.000) 14.916 1.186 ( 8.010 0.000 0.000) 8.010 1.357 ( -1.433 -0.000 0.000) 1.433 1.367 ( 17.959 0.000 0.000) 17.959 2.013 ( 1.407 0.000 0.000) 1.407 2.085 ( 25.826 0.000 0.000) 25.826 2.720 ( 3.952 0.000 0.000) 3.952 2.799 ( 6.459 0.000 0.000) 6.459 2.803 ( 8.873 0.000 0.000) 8.873 2.937 ( 31.836 0.000 0.000) 31.836 3.108 ( 2.280 0.000 0.000) 2.280 3.115 ( 28.988 0.000 0.000) 28.988 3.453 ( -1.797 -0.000 0.000) 1.797 3.546 ( -4.918 -0.000 0.000) 4.918 5.374 ( -2.581 -0.000 0.000) 2.581 5.573 ( 51.276 0.000 0.000) 51.276 6.494 ( 0.391 0.000 0.000) 0.391 6.865 ( 3.201 0.000 0.000) 3.201 6.902 ( 2.600 0.000 0.000) 2.600 7.354 ( -3.100 -0.000 0.000) 3.100 7.487 ( -1.974 -0.000 0.000) 1.974 7.729 ( -9.588 -0.000 0.000) 9.588 7.837 ( -7.132 -0.000 0.000) 7.132 8.019 ( -3.539 -0.000 0.000) 3.539 8.031 ( 4.498 0.000 0.000) 4.498 8.035 ( 10.081 0.000 0.000) 10.081 8.284 ( -3.954 -0.000 0.000) 3.954 8.706 ( 5.617 0.000 0.000) 5.617 8.900 ( 0.365 0.000 0.000) 0.365 8.909 ( -4.389 -0.000 0.000) 4.389 9.189 ( -4.538 -0.000 0.000) 4.538 9.316 ( -6.406 -0.000 0.000) 6.406 10.169 ( -2.822 -0.000 0.000) 2.822 ======================= Grid point 17 (10/171) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 1.616 -0.426 0.000) 1.671 1.012 ( -4.524 0.549 0.000) 4.558 1.065 ( 11.924 1.338 0.000) 11.998 1.315 ( 0.343 1.128 0.000) 1.179 1.348 ( 7.468 -1.037 0.000) 7.540 1.391 ( 9.081 -0.302 0.000) 9.086 1.734 ( 18.474 -0.159 0.000) 18.475 2.066 ( 4.162 0.261 0.000) 4.171 2.441 ( 10.470 -0.082 0.000) 10.470 2.882 ( 12.781 -0.023 0.000) 12.781 2.917 ( 5.084 -0.164 0.000) 5.086 2.967 ( 7.534 -0.161 0.000) 7.536 3.143 ( 0.591 -0.051 0.000) 0.593 3.412 ( -2.797 -0.367 0.000) 2.821 3.432 ( -5.501 0.040 0.000) 5.501 3.592 ( 33.453 -0.051 0.000) 33.453 3.759 ( 35.104 -0.350 0.000) 35.106 5.337 ( -1.132 -0.104 0.000) 1.137 6.509 ( 3.692 0.417 0.000) 3.715 6.529 ( 42.268 -0.223 0.000) 42.268 6.887 ( -1.195 0.299 0.000) 1.232 6.948 ( 1.990 -0.315 0.000) 2.014 7.292 ( -2.795 0.145 0.000) 2.799 7.449 ( -2.218 1.696 0.000) 2.793 7.488 ( -12.837 -1.098 0.000) 12.884 7.695 ( -6.971 -0.038 0.000) 6.972 7.918 ( -5.211 0.614 0.000) 5.247 8.137 ( 5.016 0.349 0.000) 5.028 8.212 ( -2.493 0.822 0.000) 2.625 8.273 ( 12.354 -0.215 0.000) 12.356 8.763 ( 5.153 13.827 0.000) 14.756 8.900 ( -0.556 -11.598 0.000) 11.612 8.914 ( 1.117 -0.099 0.000) 1.121 9.090 ( -5.533 -0.031 0.000) 5.533 9.181 ( -7.153 -0.001 0.000) 7.153 10.121 ( -1.838 0.033 0.000) 1.838 ======================= Grid point 18 (11/171) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.165 -0.255 0.000) 0.304 0.927 ( -4.121 0.146 0.000) 4.123 1.235 ( 6.249 0.799 0.000) 6.300 1.296 ( -0.931 0.743 0.000) 1.191 1.495 ( 6.809 -0.424 0.000) 6.822 1.547 ( 6.992 1.981 0.000) 7.268 2.056 ( 14.139 -0.134 0.000) 14.140 2.167 ( 5.914 -0.016 0.000) 5.914 2.572 ( 4.928 0.304 0.000) 4.937 2.975 ( -0.053 -0.562 0.000) 0.565 3.048 ( -3.253 0.138 0.000) 3.256 3.147 ( 12.850 -0.125 0.000) 12.850 3.148 ( 3.579 -0.137 0.000) 3.582 3.310 ( -6.386 0.103 0.000) 6.387 3.340 ( -4.653 -0.365 0.000) 4.668 4.231 ( 30.885 0.190 0.000) 30.886 4.411 ( 30.413 -0.289 0.000) 30.415 5.332 ( 0.597 0.052 0.000) 0.600 6.546 ( 2.575 0.074 0.000) 2.576 6.821 ( -4.696 0.940 0.000) 4.789 6.979 ( 1.105 -0.488 0.000) 1.208 7.142 ( 7.295 0.391 0.000) 7.306 7.228 ( -12.057 -0.665 0.000) 12.075 7.376 ( 22.379 -0.191 0.000) 22.380 7.445 ( 0.369 -0.684 0.000) 0.777 7.584 ( -4.243 -0.179 0.000) 4.247 7.821 ( -3.824 2.002 0.000) 4.317 8.147 ( -2.653 -0.555 0.000) 2.710 8.217 ( 1.756 0.529 0.000) 1.834 8.502 ( 10.627 0.592 0.000) 10.643 8.818 ( 6.586 7.378 0.000) 9.890 8.944 ( 1.817 -0.232 0.000) 1.832 8.962 ( 2.035 -4.561 0.000) 4.994 8.980 ( -5.682 -0.098 0.000) 5.683 9.052 ( -5.852 -0.516 0.000) 5.875 10.103 ( 0.071 -0.027 0.000) 0.076 ======================= Grid point 19 (12/171) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -0.164 0.160 0.000) 0.229 0.852 ( -3.622 -0.743 0.000) 3.698 1.276 ( -0.658 0.607 0.000) 0.895 1.309 ( 1.767 0.392 0.000) 1.810 1.603 ( 4.305 1.976 0.000) 4.736 1.658 ( 5.958 1.278 0.000) 6.093 2.267 ( 3.057 -0.465 0.000) 3.092 2.278 ( 8.679 -0.087 0.000) 8.680 2.657 ( 4.045 0.471 0.000) 4.073 2.872 ( -12.242 0.550 0.000) 12.255 2.896 ( -7.881 -1.027 0.000) 7.948 3.192 ( -5.312 0.150 0.000) 5.314 3.254 ( 5.486 -0.095 0.000) 5.486 3.263 ( -2.600 0.273 0.000) 2.614 3.358 ( 8.392 -0.152 0.000) 8.393 4.756 ( 22.589 0.404 0.000) 22.593 4.903 ( 19.658 0.434 0.000) 19.663 5.355 ( 1.546 0.108 0.000) 1.549 6.606 ( 3.411 0.073 0.000) 3.412 6.722 ( -4.337 1.818 0.000) 4.703 6.998 ( 0.641 -0.668 0.000) 0.926 7.033 ( -8.189 -1.578 0.000) 8.340 7.151 ( -0.481 0.438 0.000) 0.651 7.476 ( 1.961 -1.986 0.000) 2.791 7.531 ( -1.498 -0.247 0.000) 1.518 7.756 ( -1.416 3.479 0.000) 3.757 7.830 ( 19.003 -0.198 0.000) 19.004 8.096 ( -2.799 -1.055 0.000) 2.991 8.224 ( -0.369 0.801 0.000) 0.882 8.660 ( 5.973 2.071 0.000) 6.322 8.876 ( -4.874 -0.125 0.000) 4.876 8.928 ( 6.592 3.006 0.000) 7.245 8.963 ( -2.414 -1.380 0.000) 2.780 8.983 ( 1.834 -0.408 0.000) 1.879 9.031 ( 2.256 -2.197 0.000) 3.149 10.120 ( 1.403 -0.145 0.000) 1.410 ======================= Grid point 20 (13/171) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -0.189 0.807 0.000) 0.829 0.800 ( -2.084 -1.528 0.000) 2.584 1.261 ( -0.639 0.627 0.000) 0.895 1.312 ( -0.797 0.405 0.000) 0.894 1.642 ( 1.436 3.724 0.000) 3.991 1.768 ( 5.000 -0.846 0.000) 5.071 2.246 ( -5.403 -0.907 0.000) 5.479 2.396 ( 3.364 -0.108 0.000) 3.366 2.634 ( -10.068 0.734 0.000) 10.095 2.719 ( 2.420 0.495 0.000) 2.470 2.773 ( -3.282 -0.786 0.000) 3.375 3.108 ( -3.096 0.098 0.000) 3.098 3.225 ( -1.339 0.373 0.000) 1.390 3.343 ( 3.322 -0.044 0.000) 3.322 3.478 ( 3.997 -0.056 0.000) 3.998 5.086 ( 11.278 0.337 0.000) 11.283 5.167 ( 8.166 1.055 0.000) 8.234 5.383 ( 1.183 -0.200 0.000) 1.200 6.635 ( -3.508 1.952 0.000) 4.015 6.665 ( 2.347 0.022 0.000) 2.347 6.939 ( -2.407 -1.906 0.000) 3.070 7.014 ( 0.712 -0.456 0.000) 0.846 7.150 ( 0.427 0.311 0.000) 0.528 7.518 ( -0.246 -0.169 0.000) 0.298 7.529 ( 1.735 -3.429 0.000) 3.843 7.722 ( -0.213 4.842 0.000) 4.847 8.056 ( -1.785 -1.270 0.000) 2.190 8.100 ( 8.976 -0.084 0.000) 8.977 8.206 ( -0.707 1.173 0.000) 1.369 8.713 ( 0.944 1.649 0.000) 1.900 8.800 ( -2.843 -0.116 0.000) 2.845 8.966 ( 1.719 -1.245 0.000) 2.123 9.013 ( 2.630 0.512 0.000) 2.679 9.014 ( 1.027 -0.380 0.000) 1.096 9.084 ( 2.138 -0.965 0.000) 2.346 10.150 ( 1.296 -0.173 0.000) 1.307 ======================= Grid point 21 (14/171) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -0.518 0.190 0.000) 0.552 0.796 ( 1.100 -0.189 0.000) 1.116 1.244 ( -0.463 0.624 0.000) 0.777 1.296 ( -0.482 -0.437 0.000) 0.650 1.628 ( -1.209 1.930 0.000) 2.278 1.827 ( -0.905 -2.000 0.000) 2.196 2.173 ( 0.946 0.091 0.000) 0.950 2.419 ( 0.125 0.006 0.000) 0.125 2.529 ( -0.621 0.024 0.000) 0.621 2.744 ( -0.005 -0.038 0.000) 0.038 2.754 ( 0.011 -0.092 0.000) 0.093 3.076 ( -0.068 -0.000 0.000) 0.068 3.208 ( -0.190 0.131 0.000) 0.231 3.377 ( 0.027 -0.000 0.000) 0.027 3.517 ( 0.054 0.019 0.000) 0.057 5.191 ( -0.264 -0.034 0.000) 0.266 5.233 ( -0.386 0.614 0.000) 0.725 5.395 ( -0.271 -0.545 0.000) 0.609 6.579 ( -1.503 -0.137 0.000) 1.509 6.689 ( -0.006 -0.007 0.000) 0.009 6.941 ( 1.645 0.181 0.000) 1.655 7.026 ( 0.319 0.030 0.000) 0.321 7.154 ( -0.214 0.001 0.000) 0.214 7.518 ( 0.109 -0.003 0.000) 0.109 7.573 ( 0.563 -4.877 0.000) 4.909 7.685 ( -1.188 5.370 0.000) 5.500 8.043 ( -0.178 -1.298 0.000) 1.310 8.187 ( 0.029 -0.004 0.000) 0.029 8.193 ( 0.046 1.156 0.000) 1.157 8.702 ( -1.508 -0.559 0.000) 1.608 8.772 ( 0.090 -0.001 0.000) 0.090 9.007 ( 0.960 0.229 0.000) 0.987 9.027 ( 0.288 0.001 0.000) 0.288 9.030 ( 0.101 -0.162 0.000) 0.190 9.113 ( 0.316 0.026 0.000) 0.317 10.165 ( 0.136 -0.001 0.000) 0.136 ======================= Grid point 22 (15/171) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.342 -0.460 0.000) 0.573 0.830 ( 2.428 1.333 0.000) 2.770 1.247 ( 0.569 -0.540 0.000) 0.784 1.298 ( 0.218 -0.929 0.000) 0.954 1.581 ( -3.524 -1.939 0.000) 4.022 1.761 ( -5.596 -1.339 0.000) 5.754 2.266 ( 5.378 0.891 0.000) 5.452 2.399 ( -3.408 0.132 0.000) 3.411 2.616 ( 9.690 -0.886 0.000) 9.731 2.713 ( -2.738 -0.044 0.000) 2.739 2.783 ( 4.011 0.101 0.000) 4.012 3.106 ( 2.983 -0.124 0.000) 2.985 3.218 ( 1.119 -0.268 0.000) 1.151 3.344 ( -3.267 0.050 0.000) 3.267 3.480 ( -3.895 0.111 0.000) 3.897 5.077 ( -11.647 -0.461 0.000) 11.657 5.151 ( -8.277 -0.322 0.000) 8.283 5.379 ( -1.561 -0.637 0.000) 1.686 6.587 ( 1.703 -2.472 0.000) 3.002 6.665 ( -2.406 -0.026 0.000) 2.407 6.990 ( 4.229 2.837 0.000) 5.093 7.025 ( -0.120 0.609 0.000) 0.621 7.143 ( -0.810 -0.404 0.000) 0.905 7.522 ( 0.468 0.216 0.000) 0.515 7.608 ( 0.556 -5.628 0.000) 5.655 7.619 ( -2.803 4.763 0.000) 5.527 8.063 ( 1.621 -0.878 0.000) 1.843 8.102 ( -8.806 0.096 0.000) 8.806 8.197 ( 0.835 0.618 0.000) 1.039 8.662 ( -3.625 -2.980 0.000) 4.693 8.803 ( 2.953 0.152 0.000) 2.957 8.994 ( -0.686 1.258 0.000) 1.433 9.015 ( -2.955 0.546 0.000) 3.005 9.023 ( -0.691 0.467 0.000) 0.834 9.097 ( -1.601 0.286 0.000) 1.627 10.154 ( -1.162 0.215 0.000) 1.182 ======================= Grid point 23 (16/171) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 0.805 -0.201 0.000) 0.830 0.873 ( 2.588 1.109 0.000) 2.815 1.259 ( 0.222 -0.948 0.000) 0.974 1.296 ( -1.761 -0.738 0.000) 1.909 1.518 ( -4.662 -5.618 0.000) 7.300 1.647 ( -6.380 -0.089 0.000) 6.381 2.278 ( -3.558 0.546 0.000) 3.600 2.281 ( -8.623 0.107 0.000) 8.623 2.645 ( -4.320 -0.639 0.000) 4.367 2.857 ( 12.631 -0.855 0.000) 12.659 2.922 ( 8.315 1.283 0.000) 8.413 3.188 ( 5.204 -0.219 0.000) 5.208 3.255 ( 2.969 -0.355 0.000) 2.990 3.257 ( -5.347 0.122 0.000) 5.349 3.362 ( -8.170 0.210 0.000) 8.173 4.745 ( -22.595 -0.647 0.000) 22.605 4.895 ( -18.666 -0.266 0.000) 18.668 5.349 ( -1.615 -0.468 0.000) 1.681 6.604 ( -3.489 -0.104 0.000) 3.491 6.666 ( 4.616 -3.329 0.000) 5.691 7.017 ( -0.300 1.130 0.000) 1.169 7.087 ( 7.799 3.585 0.000) 8.583 7.138 ( 0.192 -0.785 0.000) 0.808 7.535 ( -3.325 3.394 0.000) 4.751 7.539 ( 1.608 0.414 0.000) 1.660 7.662 ( 2.326 -5.120 0.000) 5.623 7.835 ( -18.813 0.307 0.000) 18.815 8.112 ( 3.013 0.105 0.000) 3.015 8.211 ( 0.391 -0.121 0.000) 0.410 8.586 ( -6.367 -4.765 0.000) 7.952 8.880 ( 4.880 0.213 0.000) 4.885 8.893 ( -9.310 -0.275 0.000) 9.314 8.995 ( -1.825 0.640 0.000) 1.933 8.996 ( 1.957 1.562 0.000) 2.504 9.056 ( -2.078 0.282 0.000) 2.097 10.124 ( -1.496 0.234 0.000) 1.514 ======================= Grid point 24 (17/171) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.623 0.581 0.000) 0.852 0.921 ( 2.649 -0.360 0.000) 2.674 1.206 ( -8.125 -1.751 0.000) 8.312 1.271 ( 0.309 -1.473 0.000) 1.505 1.466 ( -3.677 -4.651 0.000) 5.929 1.515 ( -6.987 0.540 0.000) 7.008 2.061 ( -13.930 0.272 0.000) 13.932 2.168 ( -6.578 0.050 0.000) 6.579 2.558 ( -5.009 -1.071 0.000) 5.123 2.995 ( -0.467 1.171 0.000) 1.261 3.044 ( 3.883 -0.228 0.000) 3.890 3.153 ( -12.586 0.381 0.000) 12.592 3.154 ( -3.344 0.333 0.000) 3.361 3.306 ( 6.341 -0.266 0.000) 6.346 3.353 ( 5.718 0.835 0.000) 5.778 4.224 ( -30.588 -0.466 0.000) 30.591 4.424 ( -29.301 0.889 0.000) 29.314 5.330 ( -0.253 -0.123 0.000) 0.282 6.544 ( -2.584 -0.159 0.000) 2.589 6.783 ( 5.331 -2.579 0.000) 5.922 6.997 ( -1.479 1.226 0.000) 1.921 7.127 ( -6.855 -1.031 0.000) 6.932 7.258 ( 10.796 2.337 0.000) 11.046 7.383 ( -22.691 0.434 0.000) 22.695 7.467 ( -2.124 1.188 0.000) 2.433 7.591 ( 4.122 0.406 0.000) 4.142 7.755 ( 4.846 -3.897 0.000) 6.218 8.161 ( 1.034 0.404 0.000) 1.110 8.202 ( -1.357 -0.502 0.000) 1.447 8.463 ( -8.612 -3.900 0.000) 9.454 8.672 ( -13.970 -5.422 0.000) 14.985 8.953 ( -1.812 0.545 0.000) 1.892 8.983 ( 5.549 0.196 0.000) 5.553 9.027 ( 1.202 1.766 0.000) 2.136 9.066 ( 4.742 0.670 0.000) 4.789 10.104 ( -0.237 0.065 0.000) 0.246 ======================= Grid point 25 (18/171) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -0.509 1.684 0.000) 1.759 0.982 ( 2.929 -2.266 0.000) 3.703 1.008 ( -13.204 -3.008 0.000) 13.542 1.282 ( -0.806 -1.709 0.000) 1.890 1.372 ( -6.416 0.745 0.000) 6.459 1.400 ( -5.256 0.129 0.000) 5.258 1.743 ( -18.137 0.586 0.000) 18.146 2.052 ( -4.990 -1.005 0.000) 5.090 2.441 ( -9.077 -0.402 0.000) 9.086 2.885 ( -13.431 0.306 0.000) 13.434 2.926 ( -5.336 0.661 0.000) 5.377 2.976 ( -6.757 0.737 0.000) 6.797 3.147 ( -0.800 0.424 0.000) 0.905 3.429 ( 5.822 -0.231 0.000) 5.827 3.433 ( 2.981 1.569 0.000) 3.368 3.594 ( -33.114 0.013 0.000) 33.114 3.780 ( -34.830 1.700 0.000) 34.872 5.343 ( 1.589 0.457 0.000) 1.654 6.495 ( -18.285 -0.647 0.000) 18.296 6.532 ( -27.596 -0.119 0.000) 27.597 6.870 ( 1.727 -1.313 0.000) 2.170 6.966 ( -2.368 1.285 0.000) 2.694 7.284 ( 2.553 -0.630 0.000) 2.629 7.390 ( -0.448 -3.591 0.000) 3.619 7.513 ( 9.409 0.952 0.000) 9.457 7.697 ( 6.787 0.164 0.000) 6.789 7.882 ( 5.960 -2.724 0.000) 6.553 8.106 ( -6.275 -3.363 0.000) 7.119 8.168 ( -5.359 -3.398 0.000) 6.346 8.277 ( -10.802 0.007 0.000) 10.802 8.484 ( -7.930 -10.861 0.000) 13.448 8.920 ( -1.172 0.422 0.000) 1.246 9.082 ( 6.633 5.958 0.000) 8.916 9.092 ( 5.469 0.104 0.000) 5.470 9.181 ( 6.801 -0.025 0.000) 6.801 10.119 ( 1.716 -0.126 0.000) 1.721 ======================= Grid point 26 (19/171) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -4.899 3.444 0.000) 5.989 0.734 ( -15.969 -1.407 0.000) 16.031 1.060 ( 3.260 -4.364 0.000) 5.448 1.185 ( -7.697 -0.008 0.000) 7.697 1.230 ( -10.065 6.292 0.000) 11.869 1.344 ( 0.774 -1.264 0.000) 1.482 1.382 ( -16.951 1.145 0.000) 16.990 2.002 ( -0.593 -1.229 0.000) 1.365 2.114 ( -24.786 2.488 0.000) 24.911 2.705 ( -4.712 -1.250 0.000) 4.875 2.803 ( -6.608 0.321 0.000) 6.616 2.816 ( -9.940 1.364 0.000) 10.033 2.942 ( -28.288 0.393 0.000) 28.291 3.121 ( -3.790 0.996 0.000) 3.919 3.127 ( -29.217 1.197 0.000) 29.241 3.467 ( 1.582 1.221 0.000) 1.999 3.542 ( 4.886 -0.349 0.000) 4.899 5.383 ( 2.730 0.860 0.000) 2.862 5.563 ( -51.407 -0.919 0.000) 51.415 6.497 ( -0.230 0.218 0.000) 0.317 6.848 ( -4.606 -1.944 0.000) 4.999 6.908 ( -2.995 0.569 0.000) 3.048 7.347 ( 3.041 -0.706 0.000) 3.122 7.374 ( -5.868 -14.345 0.000) 15.499 7.660 ( 1.107 -5.064 0.000) 5.184 7.837 ( 7.038 -0.067 0.000) 7.039 7.931 ( -8.070 -7.116 0.000) 10.759 7.996 ( -6.748 -5.248 0.000) 8.549 8.027 ( -3.400 -3.204 0.000) 4.672 8.170 ( -1.021 -3.925 0.000) 4.055 8.447 ( -1.460 -5.224 0.000) 5.425 8.903 ( -0.397 0.301 0.000) 0.498 9.190 ( 4.477 0.001 0.000) 4.477 9.218 ( 11.999 12.022 0.000) 16.985 9.316 ( 6.838 0.437 0.000) 6.852 10.166 ( 2.765 -0.237 0.000) 2.775 ======================= Grid point 27 (20/171) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -15.268 5.319 0.000) 16.168 0.477 ( -15.516 6.320 0.000) 16.753 0.885 ( -22.084 15.425 0.000) 26.938 1.049 ( -5.553 -0.046 0.000) 5.553 1.080 ( -5.691 -2.869 0.000) 6.373 1.215 ( 3.177 -1.200 0.000) 3.396 1.373 ( 1.048 -1.505 0.000) 1.834 1.580 ( -22.765 1.084 0.000) 22.790 2.046 ( 6.716 4.157 0.000) 7.898 2.394 ( -22.111 0.191 0.000) 22.112 2.649 ( -7.581 -0.688 0.000) 7.612 2.673 ( -6.229 3.238 0.000) 7.020 2.686 ( -3.711 -0.279 0.000) 3.721 2.710 ( -9.148 0.210 0.000) 9.151 3.072 ( -1.494 0.159 0.000) 1.503 3.490 ( 1.202 0.652 0.000) 1.367 3.622 ( 3.116 -0.357 0.000) 3.137 4.652 ( -38.627 -0.815 0.000) 38.635 5.429 ( 1.848 0.406 0.000) 1.892 6.496 ( 0.159 0.460 0.000) 0.487 6.734 ( -13.199 -15.679 0.000) 20.495 6.853 ( -2.217 -0.161 0.000) 2.223 7.137 ( -51.391 -61.936 0.000) 80.480 7.399 ( 1.810 -0.610 0.000) 1.910 7.573 ( -6.418 -4.890 0.000) 8.069 7.821 ( -4.261 -1.085 0.000) 4.397 7.883 ( -5.845 -1.769 0.000) 6.107 7.951 ( 4.311 -0.142 0.000) 4.313 8.049 ( 1.083 -6.876 0.000) 6.961 8.216 ( 2.268 -0.499 0.000) 2.322 8.457 ( 0.555 -1.413 0.000) 1.518 8.899 ( -0.002 0.191 0.000) 0.191 9.260 ( 2.607 -0.077 0.000) 2.608 9.406 ( 7.308 3.158 0.000) 7.961 9.459 ( 17.514 17.366 0.000) 24.664 10.217 ( 2.054 -0.249 0.000) 2.069 ======================= Grid point 28 (21/171) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.155 ( -0.000 14.786 0.000) 14.786 0.212 ( -0.000 20.347 0.000) 20.347 0.319 ( -0.000 30.834 0.000) 30.834 0.992 ( 0.000 -0.146 0.000) 0.146 1.026 ( 0.000 -0.526 0.000) 0.526 1.292 ( 0.000 -2.873 0.000) 2.873 1.349 ( 0.000 -0.178 0.000) 0.178 1.398 ( 0.000 -1.274 0.000) 1.274 2.150 ( -0.000 0.644 0.000) 0.644 2.496 ( -0.000 0.180 0.000) 0.180 2.593 ( -0.000 2.559 0.000) 2.559 2.637 ( 0.000 -0.039 0.000) 0.039 2.666 ( 0.000 -4.767 0.000) 4.767 2.768 ( -0.000 0.194 0.000) 0.194 3.058 ( -0.000 0.010 0.000) 0.010 3.506 ( -0.000 0.243 0.000) 0.243 3.659 ( 0.000 -0.319 0.000) 0.319 4.211 ( -0.000 0.746 0.000) 0.746 4.244 ( 0.000 -0.505 0.000) 0.505 5.479 ( -0.000 0.523 0.000) 0.523 6.495 ( -0.000 0.434 0.000) 0.434 6.750 ( -0.000 0.382 0.000) 0.382 6.832 ( 0.000 -0.336 0.000) 0.336 7.419 ( 0.000 -0.434 0.000) 0.434 7.542 ( 0.000 -0.476 0.000) 0.476 7.779 ( 0.000 -0.567 0.000) 0.567 7.824 ( 0.000 -0.040 0.000) 0.040 7.995 ( 0.000 -0.113 0.000) 0.113 8.095 ( 0.000 -5.114 0.000) 5.114 8.231 ( -0.000 2.052 0.000) 2.052 8.469 ( 0.000 -0.033 0.000) 0.033 8.898 ( -0.000 0.113 0.000) 0.113 9.287 ( 0.000 -0.077 0.000) 0.077 9.456 ( 0.000 -0.234 0.000) 0.234 9.827 ( 0.000 -0.358 0.000) 0.358 10.240 ( 0.000 -0.187 0.000) 0.187 ======================= Grid point 31 (22/171) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 0.280 0.000 0.000) 0.280 0.927 ( -4.333 -0.000 0.000) 4.333 1.239 ( 5.963 0.000 0.000) 5.963 1.299 ( -1.076 -0.000 0.000) 1.076 1.492 ( 6.979 0.000 0.000) 6.979 1.557 ( 7.310 0.000 0.000) 7.310 2.055 ( 14.170 0.000 0.000) 14.170 2.167 ( 5.800 0.000 0.000) 5.800 2.574 ( 4.950 0.000 0.000) 4.950 2.972 ( -0.136 -0.000 0.000) 0.136 3.049 ( -3.168 -0.000 0.000) 3.168 3.147 ( 12.894 0.000 0.000) 12.894 3.148 ( 3.613 0.000 0.000) 3.613 3.310 ( -6.393 -0.000 0.000) 6.393 3.338 ( -4.514 -0.000 0.000) 4.514 4.232 ( 30.936 0.000 0.000) 30.936 4.410 ( 30.573 0.000 0.000) 30.573 5.333 ( 0.640 0.000 0.000) 0.640 6.547 ( 2.574 0.000 0.000) 2.574 6.826 ( -4.624 -0.000 0.000) 4.624 6.976 ( 1.045 0.000 0.000) 1.045 7.144 ( 7.372 0.000 0.000) 7.372 7.224 ( -12.230 -0.000 0.000) 12.230 7.375 ( 22.329 0.000 0.000) 22.329 7.441 ( 0.162 0.000 0.000) 0.162 7.583 ( -4.263 -0.000 0.000) 4.263 7.832 ( -3.641 -0.000 0.000) 3.641 8.144 ( -2.867 -0.000 0.000) 2.867 8.220 ( 1.772 0.000 0.000) 1.772 8.505 ( 10.838 0.000 0.000) 10.838 8.873 ( 3.696 0.000 0.000) 3.696 8.922 ( 4.422 0.000 0.000) 4.422 8.943 ( 1.818 0.000 0.000) 1.818 8.980 ( -5.702 -0.000 0.000) 5.702 9.049 ( -6.095 -0.000 0.000) 6.095 10.103 ( 0.047 0.000 0.000) 0.047 ======================= Grid point 32 (23/171) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.031 0.062 0.000) 0.069 0.847 ( -3.917 -0.271 0.000) 3.927 1.280 ( -0.819 0.224 0.000) 0.849 1.311 ( 1.759 0.127 0.000) 1.764 1.614 ( 5.465 0.396 0.000) 5.479 1.670 ( 4.734 0.747 0.000) 4.792 2.263 ( 2.904 -0.182 0.000) 2.909 2.278 ( 8.695 -0.033 0.000) 8.695 2.660 ( 4.077 0.181 0.000) 4.081 2.876 ( -12.148 0.198 0.000) 12.149 2.889 ( -7.866 -0.393 0.000) 7.875 3.194 ( -5.361 0.055 0.000) 5.361 3.254 ( 5.541 -0.036 0.000) 5.541 3.265 ( -2.537 0.103 0.000) 2.539 3.357 ( 8.492 -0.057 0.000) 8.492 4.759 ( 22.585 0.144 0.000) 22.586 4.907 ( 19.958 0.179 0.000) 19.959 5.355 ( 1.459 0.022 0.000) 1.459 6.607 ( 3.392 0.027 0.000) 3.392 6.735 ( -4.187 0.612 0.000) 4.232 6.993 ( 0.717 -0.237 0.000) 0.755 7.022 ( -8.366 -0.505 0.000) 8.381 7.154 ( -0.541 0.153 0.000) 0.563 7.462 ( 1.680 -0.696 0.000) 1.819 7.530 ( -1.473 -0.087 0.000) 1.476 7.782 ( -1.195 1.315 0.000) 1.777 7.828 ( 19.051 -0.071 0.000) 19.051 8.088 ( -2.876 -0.479 0.000) 2.915 8.230 ( -0.263 0.333 0.000) 0.424 8.674 ( 6.119 0.618 0.000) 6.150 8.875 ( -4.873 -0.044 0.000) 4.874 8.952 ( -2.160 -0.437 0.000) 2.204 8.961 ( 5.155 2.879 0.000) 5.905 8.980 ( 1.837 -0.146 0.000) 1.843 9.005 ( 2.429 -2.571 0.000) 3.537 10.119 ( 1.379 -0.052 0.000) 1.380 ======================= Grid point 33 (24/171) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.272 0.837 0.000) 0.880 0.785 ( -2.376 -1.241 0.000) 2.680 1.266 ( -0.495 0.357 0.000) 0.610 1.315 ( -1.048 0.181 0.000) 1.064 1.680 ( 1.943 3.589 0.000) 4.082 1.753 ( 3.644 -1.929 0.000) 4.123 2.238 ( -5.357 -0.548 0.000) 5.385 2.395 ( 3.361 -0.060 0.000) 3.362 2.640 ( -10.192 0.412 0.000) 10.201 2.725 ( 2.423 0.493 0.000) 2.473 2.765 ( -3.153 -0.700 0.000) 3.230 3.109 ( -3.133 0.054 0.000) 3.134 3.229 ( -1.379 0.233 0.000) 1.399 3.343 ( 3.341 -0.025 0.000) 3.341 3.478 ( 4.033 -0.025 0.000) 4.033 5.088 ( 11.145 0.181 0.000) 11.147 5.176 ( 8.292 0.766 0.000) 8.327 5.381 ( 0.906 -0.276 0.000) 0.947 6.651 ( -4.137 1.077 0.000) 4.275 6.665 ( 2.321 0.012 0.000) 2.321 6.924 ( -1.880 -1.017 0.000) 2.138 7.010 ( 0.913 -0.247 0.000) 0.946 7.153 ( 0.310 0.171 0.000) 0.354 7.502 ( 1.382 -1.851 0.000) 2.310 7.517 ( -0.176 -0.094 0.000) 0.200 7.763 ( -0.011 2.901 0.000) 2.901 8.043 ( -1.964 -1.086 0.000) 2.245 8.099 ( 9.032 -0.048 0.000) 9.033 8.217 ( -0.538 0.888 0.000) 1.038 8.725 ( -0.025 0.709 0.000) 0.710 8.799 ( -2.809 -0.063 0.000) 2.810 8.956 ( 2.259 -0.756 0.000) 2.382 9.011 ( 1.140 -0.212 0.000) 1.160 9.021 ( 1.606 0.819 0.000) 1.803 9.073 ( 3.096 -0.957 0.000) 3.240 10.148 ( 1.339 -0.096 0.000) 1.343 ======================= Grid point 34 (25/171) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -1.045 0.255 0.000) 1.076 0.794 ( 2.093 -0.253 0.000) 2.109 1.252 ( -0.630 1.002 0.000) 1.184 1.290 ( -1.020 -0.775 0.000) 1.281 1.656 ( -2.387 3.389 0.000) 4.145 1.799 ( -1.424 -3.467 0.000) 3.748 2.174 ( 1.665 0.110 0.000) 1.668 2.419 ( 0.224 0.007 0.000) 0.225 2.529 ( -1.118 0.030 0.000) 1.119 2.744 ( 0.095 -0.040 0.000) 0.104 2.753 ( -0.080 -0.121 0.000) 0.145 3.076 ( -0.123 -0.000 0.000) 0.123 3.209 ( -0.340 0.163 0.000) 0.377 3.377 ( 0.049 -0.000 0.000) 0.049 3.517 ( 0.096 0.024 0.000) 0.099 5.191 ( -0.476 -0.042 0.000) 0.477 5.241 ( -0.712 0.841 0.000) 1.102 5.388 ( -0.472 -0.755 0.000) 0.891 6.577 ( -2.695 -0.171 0.000) 2.700 6.689 ( -0.010 -0.009 0.000) 0.013 6.944 ( 2.989 0.230 0.000) 2.998 7.026 ( 0.574 0.038 0.000) 0.576 7.154 ( -0.385 0.001 0.000) 0.385 7.518 ( 0.196 -0.004 0.000) 0.196 7.530 ( 0.230 -3.319 0.000) 3.327 7.734 ( -1.404 4.054 0.000) 4.290 8.027 ( -0.280 -1.588 0.000) 1.612 8.187 ( 0.052 -0.005 0.000) 0.052 8.206 ( 0.048 1.306 0.000) 1.307 8.695 ( -2.661 -0.705 0.000) 2.753 8.772 ( 0.162 -0.001 0.000) 0.162 9.010 ( 1.870 0.226 0.000) 1.883 9.027 ( 0.520 0.001 0.000) 0.520 9.029 ( 0.001 -0.149 0.000) 0.149 9.113 ( 0.558 0.029 0.000) 0.559 10.165 ( 0.246 -0.001 0.000) 0.246 ======================= Grid point 35 (26/171) ======================= q-point: (-0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 0.278 -0.295 0.000) 0.406 0.842 ( 2.716 0.986 0.000) 2.890 1.244 ( 0.101 -0.123 0.000) 0.159 1.288 ( 0.112 -1.076 0.000) 1.082 1.567 ( -5.720 -0.858 0.000) 5.784 1.744 ( -4.700 -1.718 0.000) 5.004 2.274 ( 5.326 0.646 0.000) 5.365 2.400 ( -3.451 0.104 0.000) 3.453 2.608 ( 9.513 -0.699 0.000) 9.539 2.714 ( -2.949 0.128 0.000) 2.952 2.782 ( 4.412 -0.197 0.000) 4.416 3.105 ( 2.929 -0.100 0.000) 2.931 3.216 ( 0.966 -0.136 0.000) 0.976 3.345 ( -3.243 0.038 0.000) 3.243 3.481 ( -3.850 0.103 0.000) 3.851 5.072 ( -11.804 -0.385 0.000) 11.810 5.150 ( -8.530 0.111 0.000) 8.531 5.371 ( -1.551 -0.838 0.000) 1.763 6.563 ( 0.908 -1.994 0.000) 2.191 6.665 ( -2.426 -0.019 0.000) 2.426 7.019 ( 5.299 2.587 0.000) 5.897 7.031 ( 0.157 0.506 0.000) 0.529 7.139 ( -1.011 -0.334 0.000) 1.065 7.524 ( 0.579 0.175 0.000) 0.605 7.555 ( 0.516 -4.645 0.000) 4.674 7.666 ( -3.340 4.145 0.000) 5.323 8.050 ( 1.778 -1.511 0.000) 2.334 8.102 ( -8.725 0.074 0.000) 8.726 8.207 ( 0.662 1.163 0.000) 1.338 8.632 ( -4.705 -2.646 0.000) 5.398 8.804 ( 3.010 0.124 0.000) 3.012 9.005 ( -0.440 0.896 0.000) 0.998 9.022 ( -2.585 0.678 0.000) 2.673 9.028 ( -0.536 0.372 0.000) 0.653 9.098 ( -1.783 -0.001 0.000) 1.783 10.156 ( -1.098 0.172 0.000) 1.112 ======================= Grid point 36 (27/171) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 1.103 -0.162 0.000) 1.115 0.884 ( 2.078 0.968 0.000) 2.293 1.249 ( 0.019 -0.962 0.000) 0.963 1.289 ( -1.464 -0.561 0.000) 1.568 1.459 ( -6.216 -5.514 0.000) 8.309 1.646 ( -5.775 0.001 0.000) 5.775 2.282 ( -8.595 0.077 0.000) 8.595 2.283 ( -3.779 0.431 0.000) 3.803 2.638 ( -4.686 -0.570 0.000) 4.721 2.848 ( 12.850 -0.755 0.000) 12.872 2.934 ( 8.752 1.019 0.000) 8.811 3.186 ( 5.185 -0.190 0.000) 5.188 3.252 ( 3.213 -0.286 0.000) 3.226 3.258 ( -5.310 0.098 0.000) 5.311 3.364 ( -8.140 0.180 0.000) 8.142 4.738 ( -22.594 -0.583 0.000) 22.601 4.893 ( -18.252 -0.022 0.000) 18.252 5.343 ( -1.475 -0.569 0.000) 1.581 6.603 ( -3.533 -0.086 0.000) 3.534 6.632 ( 4.581 -3.107 0.000) 5.535 7.029 ( -0.064 1.081 0.000) 1.083 7.127 ( 7.810 3.940 0.000) 8.748 7.130 ( -0.023 -0.783 0.000) 0.784 7.543 ( 1.675 0.382 0.000) 1.718 7.568 ( -4.177 2.628 0.000) 4.935 7.612 ( 2.739 -4.297 0.000) 5.095 7.838 ( -18.711 0.272 0.000) 18.713 8.109 ( 3.547 -0.564 0.000) 3.592 8.213 ( 0.125 0.514 0.000) 0.529 8.536 ( -7.115 -4.650 0.000) 8.500 8.882 ( 4.884 0.197 0.000) 4.888 8.895 ( -10.125 0.536 0.000) 10.139 9.001 ( -1.820 0.570 0.000) 1.907 9.010 ( 1.756 1.146 0.000) 2.097 9.056 ( -2.178 -0.316 0.000) 2.201 10.127 ( -1.546 0.211 0.000) 1.561 ======================= Grid point 37 (28/171) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 1.138 0.586 0.000) 1.280 0.917 ( 1.667 -0.381 0.000) 1.710 1.189 ( -9.060 -1.518 0.000) 9.186 1.256 ( 0.125 -1.403 0.000) 1.408 1.414 ( -1.929 -5.228 0.000) 5.573 1.521 ( -6.870 0.571 0.000) 6.894 2.063 ( -13.792 0.254 0.000) 13.794 2.169 ( -6.941 0.044 0.000) 6.941 2.546 ( -5.260 -1.316 0.000) 5.422 3.007 ( -0.773 1.110 0.000) 1.352 3.042 ( 4.343 -0.174 0.000) 4.346 3.157 ( -12.448 0.440 0.000) 12.456 3.157 ( -3.183 0.351 0.000) 3.202 3.303 ( 6.313 -0.288 0.000) 6.319 3.362 ( 6.519 0.855 0.000) 6.575 4.219 ( -30.441 -0.492 0.000) 30.445 4.434 ( -28.557 1.048 0.000) 28.576 5.329 ( 0.022 -0.129 0.000) 0.130 6.542 ( -2.588 -0.154 0.000) 2.593 6.755 ( 5.816 -2.852 0.000) 6.478 7.011 ( -1.652 1.401 0.000) 2.166 7.115 ( -6.675 -1.221 0.000) 6.786 7.286 ( 9.944 3.070 0.000) 10.407 7.387 ( -22.873 0.436 0.000) 22.877 7.478 ( -3.637 0.874 0.000) 3.741 7.595 ( 4.055 0.409 0.000) 4.075 7.715 ( 5.471 -3.832 0.000) 6.679 8.162 ( -0.664 -0.094 0.000) 0.671 8.201 ( -0.435 0.320 0.000) 0.541 8.411 ( -8.042 -5.996 0.000) 10.031 8.631 ( -16.725 -2.588 0.000) 16.924 8.958 ( -1.824 0.567 0.000) 1.910 8.985 ( 5.478 0.173 0.000) 5.481 9.039 ( 1.969 0.696 0.000) 2.088 9.072 ( 4.416 0.517 0.000) 4.446 10.105 ( -0.344 0.068 0.000) 0.351 ======================= Grid point 38 (29/171) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 0.324 1.837 0.000) 1.865 0.956 ( 1.652 -2.567 0.000) 3.053 0.985 ( -12.155 -1.236 0.000) 12.218 1.265 ( -0.406 -1.495 0.000) 1.549 1.376 ( -6.508 -0.069 0.000) 6.509 1.397 ( -3.135 -0.636 0.000) 3.199 1.749 ( -17.914 0.611 0.000) 17.925 2.041 ( -5.778 -1.108 0.000) 5.883 2.433 ( -8.234 -1.053 0.000) 8.301 2.889 ( -13.754 0.505 0.000) 13.764 2.933 ( -5.507 0.732 0.000) 5.556 2.985 ( -6.109 0.878 0.000) 6.171 3.153 ( -0.750 0.683 0.000) 1.015 3.427 ( 5.950 -0.303 0.000) 5.958 3.451 ( 3.133 1.822 0.000) 3.625 3.593 ( -32.949 -0.177 0.000) 32.950 3.800 ( -34.533 2.138 0.000) 34.599 5.348 ( 1.971 0.539 0.000) 2.044 6.490 ( -22.406 -0.364 0.000) 22.409 6.529 ( -23.486 -0.467 0.000) 23.490 6.855 ( 2.339 -1.526 0.000) 2.793 6.980 ( -2.568 1.444 0.000) 2.946 7.276 ( 2.329 -0.747 0.000) 2.446 7.351 ( -5.489 -3.924 0.000) 6.747 7.521 ( 8.862 0.552 0.000) 8.879 7.699 ( 6.640 0.190 0.000) 6.642 7.852 ( 6.123 -3.042 0.000) 6.837 8.053 ( -12.140 -7.004 0.000) 14.015 8.132 ( -8.216 -3.151 0.000) 8.799 8.277 ( -10.039 0.160 0.000) 10.041 8.400 ( -3.621 -5.519 0.000) 6.601 8.924 ( -1.211 0.489 0.000) 1.306 9.093 ( 5.414 0.096 0.000) 5.415 9.130 ( 8.380 3.619 0.000) 9.128 9.181 ( 6.709 -0.040 0.000) 6.709 10.118 ( 1.620 -0.133 0.000) 1.625 ======================= Grid point 39 (30/171) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -3.311 4.067 0.000) 5.244 0.744 ( -11.689 3.544 0.000) 12.214 1.010 ( 1.672 -5.240 0.000) 5.501 1.185 ( -7.503 0.135 0.000) 7.504 1.288 ( -6.031 4.583 0.000) 7.575 1.330 ( -0.404 -1.203 0.000) 1.269 1.393 ( -16.635 1.039 0.000) 16.667 1.984 ( -0.366 -2.209 0.000) 2.239 2.141 ( -22.964 2.762 0.000) 23.130 2.692 ( -5.542 -1.226 0.000) 5.676 2.807 ( -6.744 0.443 0.000) 6.759 2.834 ( -10.680 2.079 0.000) 10.880 2.946 ( -25.693 0.446 0.000) 25.697 3.131 ( -4.618 0.940 0.000) 4.713 3.143 ( -29.568 1.774 0.000) 29.621 3.481 ( 1.310 1.514 0.000) 2.001 3.538 ( 4.849 -0.440 0.000) 4.869 5.394 ( 2.922 1.156 0.000) 3.143 5.552 ( -51.563 -1.121 0.000) 51.576 6.499 ( -0.049 0.215 0.000) 0.221 6.816 ( -9.646 -4.651 0.000) 10.709 6.915 ( -3.410 0.784 0.000) 3.499 7.180 ( -20.238 -21.318 0.000) 29.394 7.338 ( 2.980 -0.933 0.000) 3.123 7.619 ( -2.932 -2.838 0.000) 4.081 7.836 ( 6.938 -0.077 0.000) 6.938 7.844 ( -5.030 -8.440 0.000) 9.825 7.948 ( -2.133 -3.464 0.000) 4.068 7.999 ( -6.426 -2.638 0.000) 6.947 8.158 ( 0.457 0.292 0.000) 0.542 8.416 ( 1.166 -1.688 0.000) 2.052 8.907 ( -0.427 0.402 0.000) 0.587 9.189 ( 4.410 -0.022 0.000) 4.410 9.291 ( 8.039 1.854 0.000) 8.250 9.344 ( 12.315 5.532 0.000) 13.500 10.163 ( 2.703 -0.291 0.000) 2.719 ======================= Grid point 40 (31/171) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -6.138 13.711 0.000) 15.022 0.551 ( -12.684 7.853 0.000) 14.919 1.041 ( -2.638 -4.753 0.000) 5.437 1.041 ( -10.945 8.139 0.000) 13.640 1.054 ( -9.508 7.230 0.000) 11.945 1.202 ( -0.713 -1.326 0.000) 1.505 1.353 ( 0.895 -2.199 0.000) 2.374 1.598 ( -24.904 2.465 0.000) 25.026 2.082 ( 12.180 2.505 0.000) 12.435 2.398 ( -21.550 0.588 0.000) 21.558 2.640 ( -4.454 -1.001 0.000) 4.565 2.681 ( -5.331 -0.529 0.000) 5.357 2.713 ( -5.692 4.322 0.000) 7.146 2.715 ( -10.614 0.724 0.000) 10.639 3.074 ( -1.695 0.240 0.000) 1.712 3.498 ( 0.999 0.826 0.000) 1.297 3.617 ( 3.041 -0.520 0.000) 3.086 4.641 ( -38.592 -1.173 0.000) 38.610 5.433 ( 0.289 0.228 0.000) 0.368 6.261 ( -78.692 -57.702 0.000) 97.581 6.501 ( 0.351 0.645 0.000) 0.735 6.851 ( -2.597 -0.197 0.000) 2.604 6.862 ( -12.780 -4.824 0.000) 13.661 7.391 ( 1.787 -0.912 0.000) 2.006 7.549 ( -2.462 -1.382 0.000) 2.824 7.810 ( -3.627 -1.132 0.000) 3.799 7.871 ( -4.953 -0.986 0.000) 5.050 7.950 ( 4.280 -0.202 0.000) 4.284 7.978 ( 1.478 -6.793 0.000) 6.952 8.222 ( 3.493 0.865 0.000) 3.599 8.447 ( 1.358 -0.877 0.000) 1.617 8.901 ( -0.025 0.303 0.000) 0.304 9.259 ( 2.561 -0.131 0.000) 2.564 9.408 ( 4.265 -0.429 0.000) 4.286 9.596 ( 16.986 8.674 0.000) 19.072 10.214 ( 2.029 -0.358 0.000) 2.060 ======================= Grid point 41 (32/171) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( -0.000 13.545 0.000) 13.545 0.415 ( -0.000 19.030 0.000) 19.030 0.632 ( -0.000 30.077 0.000) 30.077 0.990 ( 0.000 -0.246 0.000) 0.246 1.017 ( 0.000 -1.387 0.000) 1.387 1.251 ( 0.000 -4.796 0.000) 4.796 1.346 ( 0.000 -0.459 0.000) 0.459 1.379 ( 0.000 -2.233 0.000) 2.233 2.159 ( -0.000 1.157 0.000) 1.157 2.499 ( -0.000 0.330 0.000) 0.330 2.602 ( 0.000 -7.431 0.000) 7.431 2.630 ( -0.000 4.469 0.000) 4.469 2.636 ( 0.000 -0.078 0.000) 0.078 2.763 ( 0.000 -1.444 0.000) 1.444 3.058 ( -0.000 0.020 0.000) 0.020 3.510 ( -0.000 0.361 0.000) 0.361 3.655 ( 0.000 -0.574 0.000) 0.574 4.222 ( -0.000 1.353 0.000) 1.353 4.237 ( 0.000 -0.909 0.000) 0.909 5.487 ( -0.000 0.963 0.000) 0.963 6.502 ( -0.000 0.792 0.000) 0.792 6.756 ( -0.000 0.708 0.000) 0.708 6.827 ( 0.000 -0.607 0.000) 0.607 7.413 ( 0.000 -0.798 0.000) 0.798 7.535 ( 0.000 -0.851 0.000) 0.851 7.771 ( 0.000 -0.917 0.000) 0.917 7.823 ( 0.000 -0.195 0.000) 0.195 7.994 ( 0.000 -0.204 0.000) 0.204 8.033 ( 0.000 -6.616 0.000) 6.616 8.250 ( -0.000 1.507 0.000) 1.507 8.467 ( 0.000 -0.469 0.000) 0.469 8.900 ( -0.000 0.225 0.000) 0.225 9.285 ( 0.000 -0.152 0.000) 0.152 9.453 ( 0.000 -0.435 0.000) 0.435 9.822 ( 0.000 -0.618 0.000) 0.618 10.237 ( 0.000 -0.336 0.000) 0.336 ======================= Grid point 46 (33/171) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.977 0.000 0.000) 0.977 0.777 ( -3.019 -0.000 0.000) 3.019 1.268 ( -0.428 -0.000 0.000) 0.428 1.316 ( -1.146 -0.000 0.000) 1.146 1.706 ( 3.265 0.000 0.000) 3.265 1.736 ( 2.022 0.000 0.000) 2.022 2.235 ( -5.329 -0.000 0.000) 5.329 2.395 ( 3.362 0.000 0.000) 3.362 2.642 ( -10.236 -0.000 0.000) 10.236 2.728 ( 2.548 0.000 0.000) 2.548 2.761 ( -3.232 -0.000 0.000) 3.232 3.109 ( -3.147 -0.000 0.000) 3.147 3.230 ( -1.390 -0.000 0.000) 1.390 3.343 ( 3.349 0.000 0.000) 3.349 3.478 ( 4.046 0.000 0.000) 4.046 5.089 ( 11.096 0.000 0.000) 11.096 5.181 ( 8.368 0.000 0.000) 8.368 5.379 ( 0.776 0.000 0.000) 0.776 6.657 ( -4.366 -0.000 0.000) 4.366 6.666 ( 2.311 0.000 0.000) 2.311 6.919 ( -1.697 -0.000 0.000) 1.697 7.009 ( 0.985 0.000 0.000) 0.985 7.154 ( 0.270 0.000 0.000) 0.270 7.492 ( 1.255 0.000 0.000) 1.255 7.516 ( -0.152 -0.000 0.000) 0.152 7.779 ( 0.079 0.000 0.000) 0.079 8.037 ( -2.049 -0.000 0.000) 2.049 8.099 ( 9.052 0.000 0.000) 9.052 8.222 ( -0.466 -0.000 0.000) 0.466 8.728 ( -0.374 -0.000 0.000) 0.374 8.798 ( -2.797 -0.000 0.000) 2.797 8.952 ( 2.472 0.000 0.000) 2.472 9.010 ( 1.181 0.000 0.000) 1.181 9.026 ( 0.728 0.000 0.000) 0.728 9.067 ( 3.930 0.000 0.000) 3.930 10.148 ( 1.355 0.000 0.000) 1.355 ======================= Grid point 47 (34/171) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -1.440 0.121 0.000) 1.445 0.792 ( 2.747 -0.121 0.000) 2.750 1.262 ( -0.205 0.805 0.000) 0.831 1.281 ( -1.801 -0.707 0.000) 1.935 1.693 ( -3.800 3.139 0.000) 4.929 1.762 ( -0.957 -3.171 0.000) 3.312 2.175 ( 2.040 0.048 0.000) 2.040 2.419 ( 0.280 0.003 0.000) 0.280 2.529 ( -1.394 0.014 0.000) 1.394 2.743 ( 0.240 -0.015 0.000) 0.241 2.752 ( -0.217 -0.056 0.000) 0.224 3.076 ( -0.153 -0.000 0.000) 0.153 3.210 ( -0.422 0.072 0.000) 0.428 3.377 ( 0.061 -0.000 0.000) 0.061 3.517 ( 0.119 0.011 0.000) 0.120 5.190 ( -0.593 -0.019 0.000) 0.593 5.248 ( -0.911 0.410 0.000) 0.999 5.382 ( -0.566 -0.372 0.000) 0.678 6.576 ( -3.348 -0.076 0.000) 3.349 6.689 ( -0.011 -0.004 0.000) 0.012 6.946 ( 3.752 0.104 0.000) 3.754 7.027 ( 0.715 0.017 0.000) 0.716 7.154 ( -0.481 0.000 0.000) 0.481 7.507 ( 0.012 -1.178 0.000) 1.178 7.518 ( 0.244 -0.002 0.000) 0.244 7.764 ( -1.531 1.566 0.000) 2.190 8.015 ( -0.311 -0.733 0.000) 0.796 8.187 ( 0.065 -0.002 0.000) 0.065 8.216 ( 0.035 0.552 0.000) 0.553 8.689 ( -3.266 -0.317 0.000) 3.281 8.772 ( 0.202 -0.000 0.000) 0.202 9.011 ( 2.497 0.068 0.000) 2.498 9.027 ( 0.648 0.001 0.000) 0.648 9.028 ( -0.202 -0.036 0.000) 0.206 9.113 ( 0.687 0.011 0.000) 0.687 10.165 ( 0.307 -0.000 0.000) 0.307 ======================= Grid point 48 (35/171) ======================= q-point: (-0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.210 -0.144 0.000) 0.255 0.850 ( 2.936 0.523 0.000) 2.983 1.244 ( -0.609 0.245 0.000) 0.657 1.277 ( 0.291 -0.904 0.000) 0.950 1.562 ( -7.912 -0.186 0.000) 7.914 1.728 ( -3.404 -1.239 0.000) 3.623 2.279 ( 5.286 0.336 0.000) 5.296 2.401 ( -3.490 0.057 0.000) 3.490 2.602 ( 9.393 -0.383 0.000) 9.400 2.715 ( -3.183 0.144 0.000) 3.186 2.780 ( 4.772 -0.226 0.000) 4.777 3.104 ( 2.891 -0.056 0.000) 2.892 3.215 ( 0.843 -0.045 0.000) 0.844 3.345 ( -3.228 0.020 0.000) 3.228 3.482 ( -3.819 0.062 0.000) 3.820 5.069 ( -11.906 -0.219 0.000) 11.908 5.152 ( -8.797 0.219 0.000) 8.800 5.363 ( -1.456 -0.606 0.000) 1.577 6.547 ( 0.382 -1.110 0.000) 1.174 6.664 ( -2.437 -0.010 0.000) 2.437 7.035 ( 0.351 0.288 0.000) 0.454 7.041 ( 6.192 1.614 0.000) 6.399 7.136 ( -1.161 -0.190 0.000) 1.177 7.516 ( 0.338 -2.697 0.000) 2.718 7.526 ( 0.658 0.098 0.000) 0.665 7.701 ( -3.771 2.486 0.000) 4.517 8.035 ( 1.998 -1.136 0.000) 2.298 8.103 ( -8.670 0.040 0.000) 8.670 8.218 ( 0.476 0.849 0.000) 0.973 8.610 ( -5.383 -1.569 0.000) 5.607 8.805 ( 3.050 0.070 0.000) 3.051 9.012 ( -0.321 0.429 0.000) 0.536 9.028 ( -2.193 0.495 0.000) 2.249 9.031 ( -0.431 0.205 0.000) 0.477 9.097 ( -2.048 -0.101 0.000) 2.051 10.157 ( -1.054 0.095 0.000) 1.058 ======================= Grid point 49 (36/171) ======================= q-point: (-0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 1.326 -0.104 0.000) 1.330 0.892 ( 1.690 0.655 0.000) 1.812 1.239 ( -0.240 -0.831 0.000) 0.865 1.286 ( -0.615 -0.136 0.000) 0.630 1.409 ( -8.091 -4.152 0.000) 9.094 1.646 ( -5.280 0.007 0.000) 5.280 2.282 ( -8.574 0.042 0.000) 8.574 2.287 ( -3.936 0.275 0.000) 3.945 2.633 ( -5.067 -0.407 0.000) 5.083 2.842 ( 13.027 -0.513 0.000) 13.037 2.943 ( 9.187 0.641 0.000) 9.209 3.185 ( 5.184 -0.129 0.000) 5.185 3.250 ( 3.413 -0.180 0.000) 3.418 3.259 ( -5.293 0.063 0.000) 5.293 3.365 ( -8.152 0.121 0.000) 8.153 4.733 ( -22.590 -0.403 0.000) 22.593 4.894 ( -17.987 0.110 0.000) 17.988 5.338 ( -1.273 -0.478 0.000) 1.360 6.603 ( -3.570 -0.056 0.000) 3.570 6.604 ( 4.475 -2.189 0.000) 4.982 7.039 ( 0.181 0.812 0.000) 0.832 7.123 ( -0.255 -0.614 0.000) 0.665 7.165 ( 7.974 3.345 0.000) 8.647 7.546 ( 1.732 0.269 0.000) 1.753 7.559 ( 1.716 -3.429 0.000) 3.835 7.605 ( -3.705 1.945 0.000) 4.184 7.841 ( -18.630 0.186 0.000) 18.631 8.103 ( 4.237 -0.642 0.000) 4.286 8.220 ( -0.188 0.644 0.000) 0.671 8.494 ( -7.888 -3.390 0.000) 8.585 8.883 ( 4.887 0.139 0.000) 4.889 8.902 ( -10.677 0.680 0.000) 10.699 9.006 ( -1.817 0.392 0.000) 1.858 9.020 ( 1.629 0.699 0.000) 1.773 9.051 ( -2.263 -0.521 0.000) 2.322 10.129 ( -1.587 0.147 0.000) 1.593 ======================= Grid point 50 (37/171) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 1.601 0.474 0.000) 1.670 0.914 ( 0.770 -0.322 0.000) 0.835 1.177 ( -9.425 -0.792 0.000) 9.458 1.243 ( 0.007 -1.061 0.000) 1.061 1.362 ( -0.453 -4.768 0.000) 4.789 1.526 ( -6.878 0.370 0.000) 6.888 2.066 ( -13.665 0.191 0.000) 13.667 2.169 ( -7.238 0.026 0.000) 7.238 2.532 ( -5.602 -1.229 0.000) 5.735 3.017 ( -1.030 0.846 0.000) 1.332 3.040 ( 4.786 -0.100 0.000) 4.787 3.161 ( -3.030 0.296 0.000) 3.045 3.161 ( -12.349 0.392 0.000) 12.355 3.300 ( 6.290 -0.248 0.000) 6.295 3.370 ( 7.312 0.706 0.000) 7.346 4.214 ( -30.343 -0.414 0.000) 30.346 4.444 ( -27.880 0.957 0.000) 27.896 5.328 ( 0.305 -0.107 0.000) 0.323 6.541 ( -2.590 -0.120 0.000) 2.593 6.727 ( 6.253 -2.468 0.000) 6.722 7.026 ( -1.644 1.408 0.000) 2.165 7.102 ( -6.697 -1.274 0.000) 6.817 7.319 ( 9.228 3.249 0.000) 9.783 7.391 ( -23.025 0.351 0.000) 23.028 7.484 ( -5.292 0.425 0.000) 5.309 7.599 ( 4.002 0.329 0.000) 4.016 7.678 ( 6.030 -3.371 0.000) 6.909 8.162 ( -1.958 0.334 0.000) 1.986 8.207 ( 0.315 0.713 0.000) 0.779 8.346 ( -8.584 -6.245 0.000) 10.615 8.614 ( -17.934 -0.951 0.000) 17.959 8.964 ( -1.878 0.480 0.000) 1.938 8.987 ( 5.457 0.113 0.000) 5.458 9.043 ( 2.495 0.048 0.000) 2.496 9.077 ( 4.178 0.372 0.000) 4.195 10.106 ( -0.439 0.057 0.000) 0.443 ======================= Grid point 51 (38/171) ======================= q-point: (-0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 1.114 1.628 0.000) 1.973 0.931 ( 0.359 -2.372 0.000) 2.399 0.985 ( -9.695 1.149 0.000) 9.763 1.252 ( 0.032 -1.132 0.000) 1.132 1.367 ( -4.007 -1.697 0.000) 4.352 1.390 ( -4.172 -0.526 0.000) 4.205 1.755 ( -17.722 0.522 0.000) 17.730 2.030 ( -6.667 -1.003 0.000) 6.742 2.420 ( -7.641 -1.472 0.000) 7.781 2.895 ( -13.914 0.582 0.000) 13.926 2.941 ( -5.644 0.657 0.000) 5.682 2.994 ( -5.462 0.830 0.000) 5.524 3.161 ( -0.470 0.834 0.000) 0.957 3.423 ( 6.008 -0.308 0.000) 6.016 3.469 ( 3.285 1.718 0.000) 3.707 3.590 ( -32.941 -0.352 0.000) 32.943 3.822 ( -34.163 2.151 0.000) 34.230 5.354 ( 2.369 0.516 0.000) 2.424 6.488 ( -26.236 -0.012 0.000) 26.236 6.523 ( -19.722 -0.720 0.000) 19.735 6.840 ( 3.221 -1.405 0.000) 3.514 6.995 ( -2.683 1.326 0.000) 2.993 7.269 ( 2.075 -0.726 0.000) 2.198 7.310 ( -11.812 -3.878 0.000) 12.432 7.525 ( 8.586 0.212 0.000) 8.589 7.701 ( 6.493 0.179 0.000) 6.496 7.822 ( 6.136 -2.651 0.000) 6.684 7.974 ( -18.264 -7.537 0.000) 19.759 8.104 ( -7.928 -2.340 0.000) 8.266 8.281 ( -9.180 0.596 0.000) 9.200 8.362 ( -0.219 -2.420 0.000) 2.430 8.929 ( -1.245 0.461 0.000) 1.327 9.094 ( 5.356 0.068 0.000) 5.356 9.158 ( 9.051 1.924 0.000) 9.253 9.181 ( 7.077 -0.010 0.000) 7.077 10.117 ( 1.524 -0.115 0.000) 1.529 ======================= Grid point 52 (39/171) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -1.751 3.860 0.000) 4.238 0.804 ( -6.165 7.824 0.000) 9.961 0.955 ( 0.214 -5.219 0.000) 5.223 1.188 ( -7.372 0.395 0.000) 7.383 1.300 ( -0.200 -1.663 0.000) 1.675 1.341 ( -3.590 2.812 0.000) 4.560 1.403 ( -16.658 0.783 0.000) 16.677 1.957 ( -0.930 -3.046 0.000) 3.185 2.167 ( -20.210 2.179 0.000) 20.327 2.681 ( -6.504 -0.797 0.000) 6.552 2.812 ( -6.869 0.499 0.000) 6.887 2.858 ( -11.008 2.554 0.000) 11.300 2.950 ( -24.088 0.346 0.000) 24.090 3.139 ( -4.768 0.594 0.000) 4.805 3.163 ( -30.076 2.099 0.000) 30.149 3.497 ( 0.947 1.508 0.000) 1.781 3.533 ( 4.804 -0.446 0.000) 4.825 5.406 ( 3.205 1.273 0.000) 3.449 5.540 ( -51.757 -1.096 0.000) 51.769 6.501 ( 0.158 0.158 0.000) 0.224 6.735 ( -28.960 -11.947 0.000) 31.327 6.923 ( -3.865 0.870 0.000) 3.962 6.992 ( -16.711 -13.034 0.000) 21.193 7.328 ( 2.918 -0.998 0.000) 3.084 7.599 ( -4.077 -1.238 0.000) 4.260 7.769 ( 0.663 -6.291 0.000) 6.325 7.835 ( 6.825 -0.070 0.000) 6.825 7.920 ( -1.735 -2.229 0.000) 2.825 7.972 ( -6.554 -2.620 0.000) 7.058 8.164 ( 0.316 0.583 0.000) 0.663 8.404 ( 1.806 -0.753 0.000) 1.956 8.911 ( -0.457 0.433 0.000) 0.629 9.189 ( 4.332 -0.048 0.000) 4.333 9.295 ( 6.326 -0.146 0.000) 6.327 9.397 ( 14.337 4.146 0.000) 14.924 10.160 ( 2.634 -0.285 0.000) 2.649 ======================= Grid point 53 (40/171) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -10.417 7.389 0.000) 12.771 0.674 ( -0.835 16.038 0.000) 16.060 0.986 ( -0.458 -5.680 0.000) 5.699 1.047 ( -5.951 0.028 0.000) 5.951 1.189 ( -3.869 -1.241 0.000) 4.063 1.192 ( -7.202 12.293 0.000) 14.248 1.329 ( 0.738 -2.472 0.000) 2.580 1.633 ( -26.736 4.518 0.000) 27.115 2.091 ( 14.222 -0.871 0.000) 14.249 2.406 ( -21.135 0.935 0.000) 21.156 2.629 ( -1.603 -1.209 0.000) 2.008 2.678 ( -7.705 -0.071 0.000) 7.705 2.722 ( -11.325 0.547 0.000) 11.339 2.758 ( -4.838 4.415 0.000) 6.549 3.077 ( -1.930 0.310 0.000) 1.955 3.506 ( 0.668 0.758 0.000) 1.010 3.612 ( 2.951 -0.583 0.000) 3.008 4.628 ( -38.553 -1.297 0.000) 38.574 5.427 ( -8.202 -2.169 0.000) 8.484 5.768 ( -75.241 -36.760 0.000) 83.740 6.508 ( 0.618 0.687 0.000) 0.924 6.841 ( -6.612 -0.772 0.000) 6.657 6.849 ( -3.102 -0.164 0.000) 3.107 7.380 ( 1.766 -1.056 0.000) 2.058 7.536 ( -1.936 -1.081 0.000) 2.217 7.798 ( -3.094 -1.338 0.000) 3.371 7.861 ( -4.043 -1.152 0.000) 4.204 7.912 ( 0.894 -5.733 0.000) 5.803 7.947 ( 4.239 -0.221 0.000) 4.245 8.228 ( 3.631 0.306 0.000) 3.644 8.437 ( 1.282 -1.065 0.000) 1.666 8.905 ( -0.050 0.376 0.000) 0.379 9.257 ( 2.502 -0.175 0.000) 2.508 9.402 ( 4.128 -0.559 0.000) 4.166 9.656 ( 13.595 3.695 0.000) 14.088 10.210 ( 1.996 -0.394 0.000) 2.034 ======================= Grid point 54 (41/171) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -0.000 11.465 0.000) 11.465 0.601 ( -0.000 16.952 0.000) 16.952 0.935 ( -0.000 28.786 0.000) 28.786 0.987 ( 0.000 -0.274 0.000) 0.274 0.996 ( 0.000 -2.738 0.000) 2.738 1.199 ( 0.000 -5.059 0.000) 5.059 1.339 ( 0.000 -0.908 0.000) 0.908 1.354 ( 0.000 -2.646 0.000) 2.646 2.173 ( -0.000 1.436 0.000) 1.436 2.503 ( -0.000 0.423 0.000) 0.423 2.515 ( 0.000 -9.427 0.000) 9.427 2.635 ( 0.000 -0.112 0.000) 0.112 2.681 ( -0.000 5.331 0.000) 5.331 2.738 ( 0.000 -3.200 0.000) 3.200 3.058 ( -0.000 0.051 0.000) 0.051 3.513 ( -0.000 0.302 0.000) 0.302 3.648 ( 0.000 -0.715 0.000) 0.715 4.226 ( 0.000 -1.132 0.000) 1.132 4.238 ( -0.000 1.702 0.000) 1.702 5.498 ( -0.000 1.237 0.000) 1.237 6.511 ( -0.000 1.005 0.000) 1.005 6.764 ( -0.000 0.920 0.000) 0.920 6.820 ( 0.000 -0.762 0.000) 0.762 7.403 ( 0.000 -1.026 0.000) 1.026 7.526 ( 0.000 -1.033 0.000) 1.033 7.761 ( 0.000 -1.023 0.000) 1.023 7.820 ( 0.000 -0.397 0.000) 0.397 7.965 ( 0.000 -6.549 0.000) 6.549 7.991 ( 0.000 -0.252 0.000) 0.252 8.261 ( -0.000 0.739 0.000) 0.739 8.459 ( 0.000 -1.157 0.000) 1.157 8.903 ( -0.000 0.320 0.000) 0.320 9.284 ( 0.000 -0.216 0.000) 0.216 9.447 ( 0.000 -0.566 0.000) 0.566 9.815 ( 0.000 -0.722 0.000) 0.722 10.233 ( 0.000 -0.417 0.000) 0.417 ======================= Grid point 61 (42/171) ======================= q-point: (-0.71 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.182 0.000 0.000) 0.182 0.853 ( 3.018 0.000 0.000) 3.018 1.246 ( -1.119 -0.000 0.000) 1.119 1.272 ( 0.581 0.000 0.000) 0.581 1.561 ( -8.906 -0.000 0.000) 8.906 1.722 ( -2.728 -0.000 0.000) 2.728 2.281 ( 5.271 0.000 0.000) 5.271 2.401 ( -3.506 -0.000 0.000) 3.506 2.600 ( 9.350 0.000 0.000) 9.350 2.716 ( -3.302 -0.000 0.000) 3.302 2.778 ( 4.934 0.000 0.000) 4.934 3.103 ( 2.878 0.000 0.000) 2.878 3.215 ( 0.796 0.000 0.000) 0.796 3.345 ( -3.223 -0.000 0.000) 3.223 3.482 ( -3.809 -0.000 0.000) 3.809 5.068 ( -11.940 -0.000 0.000) 11.940 5.153 ( -8.918 -0.000 0.000) 8.918 5.360 ( -1.398 -0.000 0.000) 1.398 6.541 ( 0.200 0.000 0.000) 0.200 6.664 ( -2.440 -0.000 0.000) 2.440 7.037 ( 0.421 0.000 0.000) 0.421 7.050 ( 6.558 0.000 0.000) 6.558 7.135 ( -1.218 -0.000 0.000) 1.218 7.502 ( 0.227 0.000 0.000) 0.227 7.526 ( 0.687 0.000 0.000) 0.687 7.714 ( -3.949 -0.000 0.000) 3.949 8.029 ( 2.109 0.000 0.000) 2.109 8.103 ( -8.650 -0.000 0.000) 8.650 8.223 ( 0.399 0.000 0.000) 0.399 8.602 ( -5.613 -0.000 0.000) 5.613 8.805 ( 3.065 0.000 0.000) 3.065 9.014 ( -0.282 -0.000 0.000) 0.282 9.031 ( -2.023 -0.000 0.000) 2.023 9.032 ( -0.393 -0.000 0.000) 0.393 9.097 ( -2.180 -0.000 0.000) 2.180 10.158 ( -1.038 -0.000 0.000) 1.038 ======================= Grid point 63 (43/171) ======================= q-point: (-0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 1.445 -0.036 0.000) 1.445 0.897 ( 1.479 0.231 0.000) 1.497 1.233 ( -0.462 -0.353 0.000) 0.582 1.286 ( 0.594 0.086 0.000) 0.600 1.378 ( -9.827 -1.612 0.000) 9.959 1.646 ( -5.011 0.002 0.000) 5.011 2.282 ( -8.562 0.013 0.000) 8.562 2.289 ( -4.017 0.095 0.000) 4.018 2.630 ( -5.307 -0.150 0.000) 5.309 2.838 ( 13.126 -0.181 0.000) 13.127 2.947 ( 9.458 0.217 0.000) 9.460 3.184 ( 5.187 -0.045 0.000) 5.187 3.248 ( 3.523 -0.061 0.000) 3.523 3.259 ( -5.287 0.021 0.000) 5.287 3.366 ( -8.171 0.043 0.000) 8.171 4.730 ( -22.587 -0.144 0.000) 22.587 4.895 ( -17.868 0.065 0.000) 17.868 5.334 ( -1.125 -0.188 0.000) 1.141 6.589 ( 4.391 -0.787 0.000) 4.461 6.602 ( -3.590 -0.019 0.000) 3.590 7.045 ( 0.361 0.311 0.000) 0.477 7.118 ( -0.429 -0.242 0.000) 0.493 7.191 ( 8.168 1.390 0.000) 8.285 7.531 ( 2.508 -1.500 0.000) 2.923 7.548 ( 1.765 0.097 0.000) 1.767 7.620 ( -4.948 0.828 0.000) 5.017 7.842 ( -18.586 0.066 0.000) 18.587 8.098 ( 4.751 -0.264 0.000) 4.758 8.225 ( -0.386 0.284 0.000) 0.479 8.470 ( -8.384 -1.250 0.000) 8.477 8.884 ( 4.889 0.050 0.000) 4.889 8.907 ( -10.995 0.299 0.000) 10.999 9.009 ( -1.815 0.139 0.000) 1.820 9.025 ( 1.642 0.260 0.000) 1.662 9.046 ( -2.352 -0.274 0.000) 2.368 10.130 ( -1.609 0.052 0.000) 1.609 ======================= Grid point 64 (44/171) ======================= q-point: (-0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 1.921 0.264 0.000) 1.939 0.911 ( 0.142 -0.185 0.000) 0.233 1.173 ( -9.223 -0.069 0.000) 9.223 1.235 ( -0.208 -0.517 0.000) 0.557 1.320 ( 0.504 -3.117 0.000) 3.158 1.529 ( -6.922 0.170 0.000) 6.925 2.067 ( -13.576 0.101 0.000) 13.577 2.169 ( -7.435 0.010 0.000) 7.435 2.522 ( -5.898 -0.748 0.000) 5.946 3.024 ( -1.198 0.453 0.000) 1.281 3.040 ( 5.109 -0.041 0.000) 5.109 3.163 ( -2.921 0.170 0.000) 2.926 3.165 ( -12.296 0.232 0.000) 12.298 3.298 ( 6.277 -0.144 0.000) 6.278 3.376 ( 7.898 0.401 0.000) 7.908 4.211 ( -30.294 -0.237 0.000) 30.295 4.452 ( -27.410 0.576 0.000) 27.416 5.327 ( 0.522 -0.061 0.000) 0.525 6.540 ( -2.591 -0.065 0.000) 2.592 6.706 ( 6.539 -1.434 0.000) 6.695 7.039 ( -1.216 1.101 0.000) 1.640 7.090 ( -7.145 -1.030 0.000) 7.219 7.349 ( 8.847 2.305 0.000) 9.142 7.394 ( -23.126 0.196 0.000) 23.127 7.487 ( -6.668 0.114 0.000) 6.669 7.601 ( 3.970 0.183 0.000) 3.974 7.648 ( 6.382 -2.221 0.000) 6.757 8.169 ( -2.304 0.957 0.000) 2.494 8.215 ( 1.273 0.967 0.000) 1.599 8.288 ( -10.081 -4.839 0.000) 11.182 8.609 ( -18.443 -0.291 0.000) 18.446 8.968 ( -1.981 0.282 0.000) 2.001 8.988 ( 5.509 0.047 0.000) 5.509 9.042 ( 2.831 -0.117 0.000) 2.834 9.080 ( 4.027 0.190 0.000) 4.031 10.106 ( -0.504 0.032 0.000) 0.505 ======================= Grid point 65 (45/171) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 1.723 1.113 0.000) 2.051 0.909 ( -0.704 -1.680 0.000) 1.822 1.005 ( -6.790 2.520 0.000) 7.243 1.242 ( 0.416 -0.683 0.000) 0.800 1.344 ( -1.165 -2.574 0.000) 2.826 1.387 ( -6.213 -0.238 0.000) 6.217 1.759 ( -17.583 0.349 0.000) 17.586 2.021 ( -7.440 -0.697 0.000) 7.472 2.405 ( -7.347 -1.302 0.000) 7.462 2.900 ( -13.940 0.462 0.000) 13.948 2.946 ( -5.725 0.452 0.000) 5.742 3.001 ( -4.960 0.587 0.000) 4.995 3.169 ( -0.035 0.718 0.000) 0.718 3.421 ( 6.022 -0.231 0.000) 6.026 3.485 ( 3.402 1.232 0.000) 3.618 3.587 ( -33.093 -0.364 0.000) 33.095 3.842 ( -33.810 1.613 0.000) 33.848 5.358 ( 2.700 0.375 0.000) 2.726 6.489 ( -31.351 0.303 0.000) 31.352 6.515 ( -14.691 -0.799 0.000) 14.713 6.827 ( 4.242 -0.965 0.000) 4.351 7.006 ( -2.716 0.938 0.000) 2.873 7.262 ( 1.844 -0.538 0.000) 1.921 7.274 ( -17.881 -3.037 0.000) 18.137 7.526 ( 8.302 0.053 0.000) 8.302 7.703 ( 6.376 0.128 0.000) 6.377 7.799 ( 6.618 -1.848 0.000) 6.871 7.908 ( -21.011 -4.927 0.000) 21.581 8.084 ( -7.517 -1.578 0.000) 7.681 8.289 ( -9.439 0.796 0.000) 9.473 8.344 ( 1.963 -1.283 0.000) 2.345 8.934 ( -1.269 0.331 0.000) 1.311 9.094 ( 5.306 0.036 0.000) 5.306 9.172 ( 7.806 0.733 0.000) 7.840 9.181 ( 8.938 0.134 0.000) 8.939 10.116 ( 1.449 -0.076 0.000) 1.451 ======================= Grid point 66 (46/171) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -0.566 2.989 0.000) 3.042 0.894 ( -1.682 8.961 0.000) 9.118 0.906 ( -0.937 -4.280 0.000) 4.382 1.193 ( -7.505 0.600 0.000) 7.529 1.280 ( 0.057 -2.032 0.000) 2.033 1.363 ( -1.091 1.325 0.000) 1.716 1.409 ( -16.848 0.511 0.000) 16.856 1.924 ( -2.197 -3.120 0.000) 3.816 2.184 ( -17.326 1.149 0.000) 17.364 2.676 ( -7.397 -0.292 0.000) 7.403 2.817 ( -6.957 0.444 0.000) 6.971 2.885 ( -10.376 2.541 0.000) 10.683 2.953 ( -24.270 0.082 0.000) 24.270 3.143 ( -4.217 0.197 0.000) 4.222 3.184 ( -30.620 1.935 0.000) 30.681 3.511 ( 0.562 1.208 0.000) 1.332 3.529 ( 4.761 -0.365 0.000) 4.775 5.419 ( 3.566 1.133 0.000) 3.742 5.530 ( -51.948 -0.862 0.000) 51.955 6.503 ( 0.349 0.088 0.000) 0.360 6.591 ( -49.811 -13.932 0.000) 51.723 6.910 ( -4.513 -4.340 0.000) 6.261 6.932 ( -4.271 0.765 0.000) 4.339 7.318 ( 2.870 -0.855 0.000) 2.995 7.591 ( -4.972 -0.380 0.000) 4.986 7.714 ( 3.560 -4.425 0.000) 5.679 7.834 ( 6.722 -0.051 0.000) 6.722 7.901 ( -0.850 -1.485 0.000) 1.711 7.947 ( -6.707 -2.168 0.000) 7.049 8.169 ( -0.197 0.379 0.000) 0.427 8.398 ( 1.866 -0.381 0.000) 1.904 8.915 ( -0.479 0.371 0.000) 0.606 9.188 ( 4.260 -0.059 0.000) 4.261 9.293 ( 6.030 -0.236 0.000) 6.035 9.429 ( 14.548 2.205 0.000) 14.714 10.158 ( 2.571 -0.224 0.000) 2.581 ======================= Grid point 67 (47/171) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -9.120 5.119 0.000) 10.458 0.832 ( 0.663 14.122 0.000) 14.138 0.931 ( 0.821 -4.666 0.000) 4.738 1.048 ( -6.188 0.073 0.000) 6.188 1.176 ( -5.919 -1.149 0.000) 6.029 1.296 ( -2.063 7.781 0.000) 8.050 1.304 ( 0.496 -2.140 0.000) 2.196 1.692 ( -24.879 6.855 0.000) 25.806 2.066 ( 12.949 -3.973 0.000) 13.544 2.416 ( -20.915 1.015 0.000) 20.940 2.616 ( -0.316 -1.246 0.000) 1.285 2.680 ( -8.702 0.423 0.000) 8.713 2.725 ( -12.599 0.007 0.000) 12.599 2.801 ( -3.900 3.672 0.000) 5.357 3.081 ( -2.135 0.359 0.000) 2.164 3.513 ( 0.255 0.540 0.000) 0.597 3.606 ( 2.863 -0.532 0.000) 2.911 4.616 ( -38.517 -1.164 0.000) 38.535 5.345 ( -56.798 -14.769 0.000) 58.686 5.537 ( -19.903 -8.224 0.000) 21.535 6.515 ( 0.914 0.590 0.000) 1.088 6.837 ( -4.837 -0.178 0.000) 4.840 6.848 ( -3.644 -0.093 0.000) 3.645 7.370 ( 1.755 -0.996 0.000) 2.018 7.527 ( -1.841 -0.831 0.000) 2.020 7.783 ( -1.891 -1.587 0.000) 2.469 7.845 ( -1.837 -2.038 0.000) 2.744 7.865 ( -1.837 -3.074 0.000) 3.581 7.945 ( 4.197 -0.196 0.000) 4.201 8.228 ( 3.628 -0.219 0.000) 3.634 8.426 ( 0.884 -1.064 0.000) 1.384 8.909 ( -0.071 0.375 0.000) 0.382 9.256 ( 2.442 -0.186 0.000) 2.449 9.397 ( 4.061 -0.512 0.000) 4.093 9.682 ( 11.466 1.562 0.000) 11.572 10.206 ( 1.962 -0.351 0.000) 1.993 ======================= Grid point 68 (48/171) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -0.000 8.390 0.000) 8.390 0.762 ( -0.000 14.214 0.000) 14.214 0.962 ( 0.000 -3.681 0.000) 3.681 0.985 ( 0.000 -0.226 0.000) 0.226 1.152 ( 0.000 -3.933 0.000) 3.933 1.221 ( -0.000 26.230 0.000) 26.230 1.327 ( 0.000 -1.503 0.000) 1.503 1.329 ( 0.000 -1.727 0.000) 1.727 2.188 ( -0.000 1.428 0.000) 1.428 2.409 ( 0.000 -11.318 0.000) 11.318 2.507 ( -0.000 0.438 0.000) 0.438 2.634 ( 0.000 -0.131 0.000) 0.131 2.699 ( 0.000 -4.259 0.000) 4.259 2.736 ( -0.000 5.054 0.000) 5.054 3.059 ( -0.000 0.124 0.000) 0.124 3.516 ( -0.000 0.128 0.000) 0.128 3.640 ( 0.000 -0.715 0.000) 0.715 4.214 ( 0.000 -1.130 0.000) 1.130 4.256 ( -0.000 1.718 0.000) 1.718 5.511 ( -0.000 1.269 0.000) 1.269 6.522 ( -0.000 1.028 0.000) 1.028 6.774 ( -0.000 0.965 0.000) 0.965 6.812 ( 0.000 -0.766 0.000) 0.766 7.393 ( 0.000 -1.062 0.000) 1.062 7.515 ( 0.000 -0.965 0.000) 0.965 7.750 ( 0.000 -0.933 0.000) 0.933 7.815 ( 0.000 -0.527 0.000) 0.527 7.902 ( 0.000 -5.506 0.000) 5.506 7.989 ( 0.000 -0.250 0.000) 0.250 8.265 ( -0.000 0.112 0.000) 0.112 8.444 ( 0.000 -1.614 0.000) 1.614 8.906 ( -0.000 0.364 0.000) 0.364 9.281 ( 0.000 -0.248 0.000) 0.248 9.441 ( 0.000 -0.591 0.000) 0.591 9.807 ( 0.000 -0.669 0.000) 0.669 10.229 ( 0.000 -0.414 0.000) 0.414 ======================= Grid point 77 (49/171) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 2.034 0.000 0.000) 2.034 0.910 ( -0.084 -0.000 0.000) 0.084 1.173 ( -9.014 -0.000 0.000) 9.014 1.232 ( -0.420 -0.000 0.000) 0.420 1.303 ( 0.901 0.000 0.000) 0.901 1.530 ( -6.944 -0.000 0.000) 6.944 2.068 ( -13.544 -0.000 0.000) 13.544 2.169 ( -7.505 -0.000 0.000) 7.505 2.518 ( -6.015 -0.000 0.000) 6.015 3.026 ( -1.256 -0.000 0.000) 1.256 3.039 ( 5.226 0.000 0.000) 5.226 3.164 ( -2.881 -0.000 0.000) 2.881 3.166 ( -12.280 -0.000 0.000) 12.280 3.297 ( 6.272 0.000 0.000) 6.272 3.378 ( 8.115 0.000 0.000) 8.115 4.209 ( -30.281 -0.000 0.000) 30.281 4.455 ( -27.242 -0.000 0.000) 27.242 5.327 ( 0.603 0.000 0.000) 0.603 6.539 ( -2.591 -0.000 0.000) 2.591 6.699 ( 6.637 0.000 0.000) 6.637 7.045 ( -0.618 -0.000 0.000) 0.618 7.084 ( -7.751 -0.000 0.000) 7.751 7.362 ( 8.773 0.000 0.000) 8.773 7.395 ( -23.162 -0.000 0.000) 23.162 7.488 ( -7.247 -0.000 0.000) 7.247 7.602 ( 3.960 0.000 0.000) 3.960 7.636 ( 6.497 0.000 0.000) 6.497 8.176 ( -2.029 -0.000 0.000) 2.029 8.224 ( 4.781 0.000 0.000) 4.781 8.257 ( -14.164 -0.000 0.000) 14.164 8.607 ( -18.599 -0.000 0.000) 18.599 8.969 ( -2.046 -0.000 0.000) 2.046 8.988 ( 5.556 0.000 0.000) 5.556 9.041 ( 2.946 0.000 0.000) 2.946 9.081 ( 3.978 0.000 0.000) 3.978 10.106 ( -0.527 -0.000 0.000) 0.527 ======================= Grid point 79 (50/171) ======================= q-point: (-0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 2.055 0.395 0.000) 2.093 0.897 ( -1.310 -0.608 0.000) 1.444 1.028 ( -4.797 1.407 0.000) 4.999 1.238 ( 0.653 -0.220 0.000) 0.689 1.321 ( -0.162 -1.335 0.000) 1.344 1.385 ( -6.980 -0.087 0.000) 6.981 1.762 ( -17.510 0.123 0.000) 17.510 2.016 ( -7.885 -0.249 0.000) 7.889 2.395 ( -7.255 -0.520 0.000) 7.274 2.904 ( -13.924 0.175 0.000) 13.925 2.950 ( -5.757 0.160 0.000) 5.759 3.005 ( -4.695 0.211 0.000) 4.700 3.174 ( 0.307 0.287 0.000) 0.420 3.419 ( 6.020 -0.086 0.000) 6.021 3.494 ( 3.464 0.448 0.000) 3.493 3.584 ( -33.257 -0.157 0.000) 33.258 3.854 ( -33.591 0.601 0.000) 33.596 5.361 ( 2.889 0.137 0.000) 2.892 6.493 ( -41.187 0.329 0.000) 41.188 6.507 ( -4.914 -0.504 0.000) 4.940 6.821 ( 4.991 -0.338 0.000) 5.002 7.013 ( -2.712 0.340 0.000) 2.733 7.251 ( -21.651 -1.174 0.000) 21.683 7.258 ( 1.705 -0.200 0.000) 1.716 7.526 ( 8.012 0.015 0.000) 8.012 7.704 ( 6.311 0.046 0.000) 6.311 7.785 ( 7.343 -0.719 0.000) 7.378 7.875 ( -22.102 -1.590 0.000) 22.159 8.073 ( -7.271 -0.570 0.000) 7.294 8.296 ( -10.993 0.438 0.000) 11.002 8.334 ( 4.203 -0.521 0.000) 4.235 8.936 ( -1.281 0.121 0.000) 1.287 9.094 ( 5.278 0.010 0.000) 5.278 9.175 ( 5.805 0.113 0.000) 5.806 9.183 ( 11.228 0.127 0.000) 11.229 10.115 ( 1.407 -0.027 0.000) 1.407 ======================= Grid point 80 (51/171) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -0.246 1.753 0.000) 1.770 0.870 ( -1.301 -2.564 0.000) 2.875 0.975 ( 0.776 6.208 0.000) 6.256 1.199 ( -8.088 0.394 0.000) 8.097 1.262 ( 0.624 -1.277 0.000) 1.421 1.369 ( 1.235 0.059 0.000) 1.237 1.413 ( -17.037 0.252 0.000) 17.038 1.897 ( -3.617 -2.032 0.000) 4.149 2.192 ( -15.229 0.357 0.000) 15.234 2.675 ( -8.010 -0.024 0.000) 8.010 2.820 ( -7.004 0.264 0.000) 7.009 2.908 ( -7.668 1.817 0.000) 7.880 2.952 ( -27.136 -0.229 0.000) 27.137 3.144 ( -3.378 -0.016 0.000) 3.378 3.201 ( -31.031 1.177 0.000) 31.053 3.521 ( 0.260 0.670 0.000) 0.718 3.526 ( 4.731 -0.206 0.000) 4.735 5.429 ( 3.916 0.684 0.000) 3.976 5.523 ( -52.089 -0.472 0.000) 52.091 6.475 ( -57.766 -7.947 0.000) 58.310 6.503 ( 0.480 0.035 0.000) 0.482 6.882 ( -0.620 -1.540 0.000) 1.660 6.938 ( -4.550 0.452 0.000) 4.572 7.311 ( 2.843 -0.498 0.000) 2.887 7.590 ( -6.121 0.064 0.000) 6.121 7.678 ( 5.318 -2.447 0.000) 5.854 7.834 ( 6.650 -0.026 0.000) 6.650 7.889 ( 0.266 -0.765 0.000) 0.810 7.929 ( -7.174 -1.233 0.000) 7.279 8.171 ( -0.642 0.168 0.000) 0.663 8.396 ( 1.797 -0.167 0.000) 1.805 8.918 ( -0.492 0.215 0.000) 0.537 9.188 ( 4.209 -0.041 0.000) 4.209 9.291 ( 5.904 -0.139 0.000) 5.906 9.445 ( 14.547 0.924 0.000) 14.577 10.156 ( 2.527 -0.122 0.000) 2.530 ======================= Grid point 81 (52/171) ======================= q-point: (-0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -8.623 1.419 0.000) 8.739 0.898 ( 1.686 -1.558 0.000) 2.295 0.955 ( 0.384 9.560 0.000) 9.567 1.049 ( -6.426 0.083 0.000) 6.426 1.166 ( -7.252 -0.928 0.000) 7.311 1.285 ( 0.659 -1.535 0.000) 1.671 1.356 ( -1.911 3.950 0.000) 4.388 1.771 ( -16.871 8.266 0.000) 18.787 2.013 ( 8.855 -6.123 0.000) 10.766 2.426 ( -20.837 0.773 0.000) 20.851 2.604 ( -0.288 -1.041 0.000) 1.080 2.686 ( -8.269 0.709 0.000) 8.299 2.723 ( -14.677 -0.479 0.000) 14.685 2.832 ( -3.143 2.366 0.000) 3.935 3.084 ( -2.258 0.323 0.000) 2.281 3.517 ( -0.131 0.294 0.000) 0.322 3.601 ( 2.794 -0.372 0.000) 2.819 4.605 ( -38.491 -0.803 0.000) 38.500 5.199 ( -70.352 -11.246 0.000) 71.245 5.506 ( 0.448 -0.615 0.000) 0.761 6.520 ( 1.172 0.391 0.000) 1.235 6.836 ( -3.888 -0.022 0.000) 3.888 6.848 ( -4.104 -0.030 0.000) 4.104 7.361 ( 1.754 -0.716 0.000) 1.895 7.520 ( -1.843 -0.500 0.000) 1.910 7.766 ( 0.029 -1.577 0.000) 1.577 7.822 ( -1.475 -1.849 0.000) 2.365 7.847 ( -3.534 -0.964 0.000) 3.663 7.944 ( 4.162 -0.134 0.000) 4.164 8.225 ( 3.560 -0.407 0.000) 3.583 8.417 ( 0.453 -0.757 0.000) 0.882 8.912 ( -0.085 0.281 0.000) 0.293 9.254 ( 2.393 -0.146 0.000) 2.397 9.392 ( 4.005 -0.354 0.000) 4.021 9.692 ( 10.316 0.614 0.000) 10.334 10.203 ( 1.934 -0.241 0.000) 1.949 ======================= Grid point 82 (53/171) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -0.000 4.282 0.000) 4.282 0.891 ( -0.000 10.714 0.000) 10.714 0.928 ( 0.000 -2.447 0.000) 2.447 0.983 ( 0.000 -0.040 0.000) 0.040 1.118 ( 0.000 -2.705 0.000) 2.705 1.300 ( 0.000 -1.752 0.000) 1.752 1.309 ( 0.000 -2.036 0.000) 2.036 1.493 ( -0.000 24.616 0.000) 24.616 2.201 ( -0.000 1.140 0.000) 1.140 2.281 ( 0.000 -13.510 0.000) 13.510 2.511 ( -0.000 0.365 0.000) 0.365 2.633 ( 0.000 -0.121 0.000) 0.121 2.655 ( 0.000 -4.072 0.000) 4.072 2.782 ( -0.000 3.820 0.000) 3.820 3.061 ( -0.000 0.205 0.000) 0.205 3.516 ( 0.000 -0.031 0.000) 0.031 3.634 ( 0.000 -0.573 0.000) 0.573 4.204 ( 0.000 -0.904 0.000) 0.904 4.272 ( -0.000 1.389 0.000) 1.389 5.524 ( -0.000 1.036 0.000) 1.036 6.531 ( -0.000 0.843 0.000) 0.843 6.784 ( -0.000 0.808 0.000) 0.808 6.805 ( 0.000 -0.618 0.000) 0.618 7.382 ( 0.000 -0.880 0.000) 0.880 7.507 ( 0.000 -0.684 0.000) 0.684 7.742 ( 0.000 -0.699 0.000) 0.699 7.809 ( 0.000 -0.503 0.000) 0.503 7.853 ( 0.000 -3.884 0.000) 3.884 7.986 ( 0.000 -0.199 0.000) 0.199 8.264 ( 0.000 -0.299 0.000) 0.299 8.428 ( 0.000 -1.496 0.000) 1.496 8.910 ( -0.000 0.325 0.000) 0.325 9.279 ( 0.000 -0.224 0.000) 0.224 9.436 ( 0.000 -0.491 0.000) 0.491 9.801 ( 0.000 -0.499 0.000) 0.499 10.225 ( 0.000 -0.330 0.000) 0.330 ======================= Grid point 93 (54/171) ======================= q-point: (-0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -3.676 -0.000 0.000) 3.676 0.853 ( 2.097 0.000 0.000) 2.097 1.009 ( 1.470 0.000 0.000) 1.470 1.201 ( -8.525 -0.000 0.000) 8.525 1.255 ( 1.060 0.000 0.000) 1.060 1.369 ( 2.260 0.000 0.000) 2.260 1.415 ( -17.112 -0.000 0.000) 17.112 1.886 ( -4.269 -0.000 0.000) 4.269 2.193 ( -14.477 -0.000 0.000) 14.477 2.675 ( -8.222 -0.000 0.000) 8.222 2.822 ( -7.018 -0.000 0.000) 7.018 2.918 ( -4.126 -0.000 0.000) 4.126 2.950 ( -30.852 -0.000 0.000) 30.852 3.144 ( -2.962 -0.000 0.000) 2.962 3.207 ( -31.182 -0.000 0.000) 31.182 3.525 ( 0.144 0.000 0.000) 0.144 3.525 ( 4.720 0.000 0.000) 4.720 5.432 ( 4.070 0.000 0.000) 4.070 5.521 ( -52.140 -0.000 0.000) 52.140 6.434 ( -59.806 -0.000 0.000) 59.806 6.503 ( 0.527 0.000 0.000) 0.527 6.875 ( 0.237 0.000 0.000) 0.237 6.941 ( -4.650 -0.000 0.000) 4.650 7.309 ( 2.835 0.000 0.000) 2.835 7.590 ( -6.876 -0.000 0.000) 6.876 7.665 ( 6.189 0.000 0.000) 6.189 7.834 ( 6.624 0.000 0.000) 6.624 7.886 ( 0.807 0.000 0.000) 0.807 7.922 ( -7.468 -0.000 0.000) 7.468 8.172 ( -0.812 -0.000 0.000) 0.812 8.395 ( 1.761 0.000 0.000) 1.761 8.919 ( -0.496 -0.000 0.000) 0.496 9.188 ( 4.191 0.000 0.000) 4.191 9.290 ( 5.865 0.000 0.000) 5.865 9.449 ( 14.536 0.000 0.000) 14.536 10.155 ( 2.511 0.000 0.000) 2.511 ======================= Grid point 95 (55/171) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -8.178 -0.232 0.000) 8.181 0.893 ( 1.879 0.113 0.000) 1.882 1.023 ( -0.134 3.402 0.000) 3.405 1.049 ( -6.487 0.004 0.000) 6.487 1.159 ( -8.010 -0.379 0.000) 8.019 1.274 ( 0.646 -0.536 0.000) 0.840 1.381 ( -3.543 1.159 0.000) 3.728 1.856 ( -4.855 8.036 0.000) 9.389 1.943 ( 0.898 -7.227 0.000) 7.282 2.431 ( -20.823 0.287 0.000) 20.825 2.596 ( -0.647 -0.425 0.000) 0.774 2.693 ( -6.318 0.478 0.000) 6.336 2.717 ( -17.558 -0.414 0.000) 17.563 2.848 ( -2.737 0.807 0.000) 2.853 3.087 ( -2.302 0.135 0.000) 2.306 3.519 ( -0.365 0.089 0.000) 0.376 3.598 ( 2.758 -0.134 0.000) 2.761 4.600 ( -38.478 -0.286 0.000) 38.479 5.123 ( -68.872 -3.641 0.000) 68.968 5.504 ( 2.780 0.003 0.000) 2.780 6.523 ( 1.321 0.136 0.000) 1.328 6.836 ( -3.425 0.004 0.000) 3.425 6.847 ( -4.370 -0.004 0.000) 4.370 7.356 ( 1.757 -0.261 0.000) 1.776 7.516 ( -1.855 -0.160 0.000) 1.862 7.754 ( 1.258 -0.675 0.000) 1.428 7.810 ( -2.523 -0.548 0.000) 2.581 7.841 ( -3.357 -0.308 0.000) 3.371 7.943 ( 4.142 -0.047 0.000) 4.143 8.221 ( 3.482 -0.197 0.000) 3.488 8.411 ( 0.193 -0.268 0.000) 0.331 8.914 ( -0.092 0.104 0.000) 0.139 9.253 ( 2.365 -0.055 0.000) 2.366 9.390 ( 3.970 -0.126 0.000) 3.972 9.696 ( 9.820 0.159 0.000) 9.822 10.201 ( 1.918 -0.085 0.000) 1.920 ======================= Grid point 96 (56/171) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -0.000 0.878 0.000) 0.878 0.915 ( 0.000 -0.302 0.000) 0.302 0.970 ( -0.000 2.925 0.000) 2.925 0.992 ( -0.000 3.327 0.000) 3.327 1.096 ( 0.000 -1.583 0.000) 1.583 1.285 ( 0.000 -1.036 0.000) 1.036 1.288 ( 0.000 -1.839 0.000) 1.839 1.734 ( -0.000 22.137 0.000) 22.137 2.129 ( 0.000 -16.190 0.000) 16.190 2.211 ( -0.000 0.630 0.000) 0.630 2.514 ( -0.000 0.208 0.000) 0.208 2.620 ( 0.000 -2.490 0.000) 2.490 2.632 ( 0.000 -0.074 0.000) 0.074 2.812 ( -0.000 2.010 0.000) 2.010 3.063 ( -0.000 0.180 0.000) 0.180 3.515 ( 0.000 -0.071 0.000) 0.071 3.629 ( 0.000 -0.318 0.000) 0.318 4.196 ( 0.000 -0.501 0.000) 0.501 4.284 ( -0.000 0.775 0.000) 0.775 5.532 ( -0.000 0.579 0.000) 0.579 6.538 ( -0.000 0.476 0.000) 0.476 6.790 ( -0.000 0.462 0.000) 0.462 6.800 ( 0.000 -0.344 0.000) 0.344 7.375 ( 0.000 -0.500 0.000) 0.500 7.501 ( 0.000 -0.328 0.000) 0.328 7.736 ( 0.000 -0.372 0.000) 0.372 7.805 ( 0.000 -0.308 0.000) 0.308 7.823 ( 0.000 -1.990 0.000) 1.990 7.985 ( 0.000 -0.110 0.000) 0.110 8.261 ( 0.000 -0.338 0.000) 0.338 8.415 ( 0.000 -0.861 0.000) 0.861 8.913 ( -0.000 0.194 0.000) 0.194 9.277 ( 0.000 -0.134 0.000) 0.134 9.432 ( 0.000 -0.278 0.000) 0.278 9.797 ( 0.000 -0.263 0.000) 0.263 10.222 ( 0.000 -0.182 0.000) 0.182 ======================= Grid point 110 (57/171) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -0.000 0.000 0.000) 0.000 0.915 ( -0.000 0.000 0.000) 0.000 0.977 ( -0.000 0.000 0.000) 0.000 1.019 ( -0.000 0.000 0.000) 0.000 1.087 ( -0.000 0.000 0.000) 0.000 1.277 ( -0.000 0.000 0.000) 0.000 1.279 ( -0.000 0.000 0.000) 0.000 1.939 ( -0.000 0.000 0.000) 0.000 1.955 ( 0.000 -0.000 0.000) 0.000 2.214 ( -0.000 0.000 0.000) 0.000 2.515 ( -0.000 0.000 0.000) 0.000 2.607 ( -0.000 0.000 0.000) 0.000 2.631 ( -0.000 0.000 0.000) 0.000 2.823 ( -0.000 0.000 0.000) 0.000 3.064 ( -0.000 0.000 0.000) 0.000 3.515 ( -0.000 0.000 0.000) 0.000 3.627 ( -0.000 0.000 0.000) 0.000 4.194 ( -0.000 0.000 0.000) 0.000 4.288 ( -0.000 0.000 0.000) 0.000 5.535 ( -0.000 0.000 0.000) 0.000 6.541 ( -0.000 0.000 0.000) 0.000 6.793 ( -0.000 0.000 0.000) 0.000 6.798 ( -0.000 0.000 0.000) 0.000 7.373 ( -0.000 0.000 0.000) 0.000 7.500 ( -0.000 0.000 0.000) 0.000 7.734 ( -0.000 0.000 0.000) 0.000 7.803 ( -0.000 0.000 0.000) 0.000 7.813 ( -0.000 0.000 0.000) 0.000 7.984 ( -0.000 0.000 0.000) 0.000 8.259 ( -0.000 0.000 0.000) 0.000 8.411 ( -0.000 0.000 0.000) 0.000 8.914 ( -0.000 0.000 0.000) 0.000 9.276 ( -0.000 0.000 0.000) 0.000 9.430 ( -0.000 0.000 0.000) 0.000 9.796 ( -0.000 0.000 0.000) 0.000 10.221 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 205 (58/171) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( 0.000 0.000 14.244) 14.244 0.484 ( 0.000 0.000 20.474) 20.474 0.705 ( 0.000 0.000 12.403) 12.403 0.981 ( 0.000 0.000 -1.204) 1.204 1.254 ( 0.000 0.000 4.087) 4.087 1.284 ( 0.000 0.000 -2.103) 2.103 1.407 ( 0.000 0.000 5.875) 5.875 1.624 ( 0.000 0.000 36.934) 36.934 2.013 ( 0.000 0.000 0.620) 0.620 2.079 ( 0.000 0.000 -6.589) 6.589 2.432 ( 0.000 0.000 -11.482) 11.482 2.511 ( 0.000 0.000 1.419) 1.419 2.623 ( 0.000 0.000 -1.232) 1.232 3.008 ( 0.000 0.000 13.083) 13.083 3.452 ( 0.000 0.000 -4.835) 4.835 3.607 ( 0.000 0.000 -5.330) 5.330 4.076 ( 0.000 0.000 7.226) 7.226 4.229 ( 0.000 0.000 1.891) 1.891 4.261 ( 0.000 0.000 1.202) 1.202 5.254 ( 0.000 0.000 -18.072) 18.072 6.751 ( 0.000 0.000 0.273) 0.273 6.820 ( 0.000 0.000 -1.211) 1.211 7.457 ( 0.000 0.000 3.162) 3.162 7.570 ( 0.000 0.000 1.963) 1.963 7.787 ( 0.000 0.000 0.457) 0.457 7.812 ( 0.000 0.000 1.116) 1.116 7.821 ( 0.000 0.000 -0.283) 0.283 8.059 ( 0.000 0.000 0.782) 0.782 8.119 ( 0.000 0.000 -0.611) 0.611 8.282 ( 0.000 0.000 -9.430) 9.430 8.781 ( 0.000 0.000 2.110) 2.110 8.917 ( 0.000 0.000 0.424) 0.424 9.067 ( 0.000 0.000 3.816) 3.816 9.413 ( 0.000 0.000 -4.015) 4.015 10.132 ( 0.000 0.000 1.756) 1.756 10.235 ( 0.000 0.000 -0.586) 0.586 ======================= Grid point 206 (59/171) ======================= q-point: ( 0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 15.694 -0.346 8.337) 17.774 0.622 ( 6.945 -3.156 9.357) 12.072 0.868 ( 13.329 -3.636 5.519) 14.877 1.035 ( 5.030 -0.031 -1.422) 5.228 1.206 ( -5.310 1.466 -1.372) 5.677 1.271 ( 1.685 0.089 -0.412) 1.737 1.573 ( 9.915 0.044 13.381) 16.654 1.755 ( 19.423 -0.541 32.834) 38.153 2.009 ( -0.307 -0.447 0.340) 0.640 2.322 ( 21.390 -0.069 -6.682) 22.410 2.448 ( 2.759 -0.191 -10.141) 10.511 2.658 ( 14.622 0.001 0.359) 14.626 2.685 ( 6.547 -0.103 -0.162) 6.550 3.006 ( 0.784 -0.300 14.347) 14.371 3.418 ( -11.110 -0.183 25.929) 28.209 3.442 ( -0.760 -0.252 -4.453) 4.525 3.577 ( -2.613 0.113 -4.702) 5.380 4.657 ( 35.769 0.178 -1.040) 35.784 5.251 ( 1.357 0.393 -15.224) 15.290 5.627 ( 55.026 2.750 -41.012) 68.683 6.787 ( 3.337 -0.025 -0.086) 3.338 6.833 ( 1.448 0.095 -1.118) 1.832 7.436 ( -2.034 0.425 2.930) 3.592 7.561 ( -1.354 0.701 2.164) 2.647 7.737 ( -2.763 4.648 -0.840) 5.472 7.807 ( 0.774 -0.470 0.007) 0.906 7.898 ( 5.270 0.620 -0.102) 5.307 8.022 ( -2.050 2.125 1.199) 3.186 8.103 ( -0.372 4.901 -1.077) 5.031 8.265 ( -2.376 -2.559 -7.609) 8.373 8.697 ( -1.806 14.789 7.261) 16.574 8.922 ( -0.839 -3.402 0.020) 3.504 9.048 ( -3.754 -6.670 1.595) 7.819 9.356 ( -6.203 -1.985 -3.404) 7.349 9.764 ( -20.184 2.408 20.007) 28.521 10.209 ( -2.753 -0.393 -1.219) 3.036 ======================= Grid point 207 (60/171) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 3.246 -1.633 3.869) 5.308 0.804 ( 14.791 2.394 3.580) 15.405 1.075 ( -3.185 1.374 -1.834) 3.924 1.141 ( 11.652 -3.860 -0.135) 12.275 1.193 ( 6.928 0.302 0.493) 6.952 1.293 ( 0.547 0.314 -2.893) 2.961 1.783 ( 13.308 0.160 21.891) 25.619 2.015 ( 1.797 0.611 0.574) 1.983 2.241 ( 22.230 -1.795 20.120) 30.037 2.542 ( 7.552 0.296 -9.313) 11.993 2.704 ( 11.653 -0.390 -7.750) 14.000 2.971 ( 25.999 0.429 2.648) 26.137 3.062 ( 7.385 -0.823 13.169) 15.121 3.068 ( 23.308 -0.575 -1.103) 23.342 3.354 ( 2.435 -0.656 19.109) 19.275 3.433 ( -0.309 -0.678 -2.410) 2.523 3.512 ( -3.895 0.183 -3.390) 5.167 5.121 ( 2.752 -0.531 -21.394) 21.577 5.653 ( 45.479 0.698 5.215) 45.783 6.290 ( 19.926 1.374 -16.126) 25.671 6.855 ( 3.115 0.497 -0.497) 3.193 6.880 ( 3.227 -0.298 -1.429) 3.542 7.379 ( -3.387 0.508 2.394) 4.179 7.503 ( -2.942 2.928 2.849) 5.034 7.661 ( -3.491 3.675 -5.363) 7.379 7.734 ( -8.999 -0.636 -1.761) 9.192 8.014 ( 5.095 2.139 0.198) 5.529 8.044 ( 5.163 0.112 0.647) 5.205 8.078 ( 2.408 2.773 0.702) 3.739 8.217 ( -3.116 -0.956 -3.697) 4.929 8.632 ( 2.852 13.384 6.814) 15.287 8.922 ( -0.354 -2.022 -0.083) 2.054 8.995 ( -4.999 -7.260 -0.615) 8.836 9.218 ( -8.207 -2.191 -1.989) 8.724 9.483 ( -10.029 0.950 14.959) 18.035 10.145 ( -3.507 -0.119 -2.619) 4.378 ======================= Grid point 208 (61/171) ======================= q-point: ( 0.21 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 0.581 -1.019 2.214) 2.505 0.971 ( -1.463 1.164 -2.497) 3.119 1.077 ( 9.215 2.445 2.905) 9.967 1.285 ( 0.183 1.068 -1.714) 2.028 1.343 ( 8.489 0.103 -1.176) 8.570 1.360 ( 7.761 -0.754 -0.697) 7.829 2.062 ( 10.884 0.943 8.962) 14.131 2.087 ( 9.599 -0.394 9.909) 13.802 2.508 ( 7.009 0.034 11.009) 13.051 2.775 ( 14.131 -0.844 -2.154) 14.319 2.862 ( 5.862 -0.569 -5.145) 7.821 3.144 ( 3.258 -0.338 6.943) 7.677 3.303 ( 2.214 0.115 16.386) 16.536 3.390 ( -1.127 -1.194 -1.986) 2.577 3.428 ( -3.494 0.189 -0.902) 3.614 3.624 ( 31.612 -0.064 2.401) 31.703 3.769 ( 33.709 -1.076 0.534) 33.731 5.127 ( -0.203 -0.334 -19.744) 19.748 6.522 ( 14.715 0.621 1.460) 14.801 6.540 ( 32.676 0.231 0.607) 32.682 6.884 ( 0.524 0.673 0.413) 0.948 6.948 ( 3.070 -0.744 -0.616) 3.218 7.310 ( -2.829 0.404 1.960) 3.465 7.437 ( -3.338 2.507 1.162) 4.333 7.503 ( -9.983 -1.039 0.045) 10.037 7.601 ( -3.248 0.803 -6.410) 7.231 7.984 ( -4.702 0.766 3.962) 6.196 8.121 ( 2.813 0.964 -1.193) 3.204 8.185 ( 1.243 0.334 -0.511) 1.385 8.260 ( 11.210 0.154 -1.275) 11.284 8.661 ( 6.361 11.089 4.574) 13.578 8.933 ( 0.707 -0.484 0.049) 0.859 8.947 ( -2.899 -5.058 -2.098) 6.196 9.081 ( -6.470 -1.676 -1.539) 6.858 9.310 ( -7.800 0.451 11.302) 13.740 10.087 ( -2.253 -0.023 -3.857) 4.467 ======================= Grid point 209 (62/171) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -0.455 -0.449 1.556) 1.682 0.910 ( -3.235 0.119 -1.441) 3.543 1.228 ( 5.973 1.132 0.519) 6.101 1.277 ( -0.138 0.998 -0.615) 1.181 1.488 ( 6.263 3.234 -0.951) 7.112 1.498 ( 7.316 -0.035 -0.589) 7.340 2.188 ( 6.459 -0.063 2.053) 6.777 2.359 ( 13.048 0.363 10.559) 16.789 2.626 ( 6.227 0.051 15.066) 16.302 2.941 ( 1.488 -0.896 -3.452) 3.864 2.997 ( 5.724 -0.302 -0.855) 5.795 3.145 ( -1.673 -0.203 3.181) 3.600 3.281 ( -7.062 -0.033 -1.411) 7.202 3.359 ( 2.278 0.128 11.533) 11.756 3.378 ( -1.987 -0.333 3.663) 4.180 4.250 ( 30.546 0.313 1.831) 30.602 4.410 ( 29.891 -0.497 -0.592) 29.901 5.136 ( 1.091 0.109 -18.435) 18.467 6.612 ( 2.912 0.246 5.053) 5.837 6.788 ( -3.888 1.811 -1.504) 4.545 6.987 ( 0.948 -0.900 0.191) 1.321 7.102 ( 3.327 -0.115 -2.645) 4.252 7.274 ( -7.171 -0.732 2.888) 7.766 7.410 ( 19.092 -0.166 2.550) 19.262 7.453 ( 1.595 -1.381 -0.164) 2.116 7.573 ( 0.808 0.452 -1.165) 1.488 7.879 ( -4.714 2.046 6.652) 8.405 8.118 ( -1.599 -0.584 -3.131) 3.564 8.232 ( 1.954 0.702 2.153) 2.991 8.460 ( 8.755 1.288 -2.859) 9.299 8.761 ( 8.245 6.178 2.313) 10.559 8.918 ( -2.555 -1.524 -2.967) 4.201 8.952 ( 1.398 -0.082 0.424) 1.463 9.016 ( -0.446 -1.809 -0.236) 1.878 9.172 ( -6.154 -0.156 10.350) 12.043 10.064 ( -0.117 -0.059 -4.705) 4.707 ======================= Grid point 210 (63/171) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -0.675 0.022 1.144) 1.329 0.852 ( -2.886 -0.973 -0.928) 3.184 1.268 ( -0.159 0.832 0.056) 0.849 1.296 ( 1.517 0.729 -0.571) 1.778 1.573 ( 4.535 3.770 0.484) 5.917 1.633 ( 6.626 0.395 -0.976) 6.709 2.298 ( 3.760 -0.482 2.804) 4.715 2.560 ( 7.607 0.326 0.905) 7.668 2.751 ( 5.247 -0.302 25.930) 26.458 2.886 ( -9.130 0.304 2.093) 9.372 2.904 ( -8.237 -0.341 0.695) 8.273 3.151 ( -4.171 0.474 -2.378) 4.824 3.219 ( 5.662 -0.205 -0.692) 5.708 3.311 ( -3.233 0.125 3.359) 4.664 3.432 ( 3.107 0.016 6.084) 6.832 4.767 ( 22.252 0.584 1.140) 22.289 4.893 ( 19.199 0.550 -0.646) 19.218 5.168 ( 2.277 0.225 -17.259) 17.410 6.656 ( 1.794 0.569 2.981) 3.525 6.689 ( -4.251 2.566 -0.452) 4.986 6.997 ( -0.172 -1.196 -0.737) 1.415 7.025 ( -5.900 -2.230 -1.870) 6.578 7.203 ( -1.265 -0.041 4.481) 4.656 7.486 ( 2.167 -2.439 -1.766) 3.710 7.613 ( 3.018 0.468 4.717) 5.619 7.791 ( -1.696 3.031 8.125) 8.836 7.827 ( 15.736 -0.105 -0.305) 15.740 8.088 ( -1.013 -0.223 -1.742) 2.028 8.240 ( -0.494 0.337 2.638) 2.705 8.566 ( 3.064 2.295 -5.288) 6.529 8.863 ( 1.988 1.309 0.527) 2.438 8.921 ( 4.470 -0.119 0.014) 4.472 8.988 ( 1.805 -0.355 0.043) 1.840 9.037 ( 0.306 -1.077 0.085) 1.123 9.090 ( -1.566 -0.710 9.888) 10.036 10.078 ( 1.278 -0.175 -5.250) 5.406 ======================= Grid point 211 (64/171) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.434 0.374 0.961) 1.119 0.810 ( -1.960 -1.362 -0.538) 2.447 1.258 ( -0.533 0.692 0.366) 0.947 1.299 ( -0.340 0.701 -0.614) 0.992 1.626 ( 2.503 2.361 1.729) 3.851 1.749 ( 5.260 0.327 -1.489) 5.477 2.293 ( -4.855 -0.864 3.665) 6.144 2.586 ( -7.972 0.010 -2.918) 8.490 2.710 ( 1.382 0.784 2.144) 2.669 2.767 ( -3.781 -0.119 -0.148) 3.786 2.884 ( 3.761 0.065 35.001) 35.203 3.112 ( -0.562 0.354 0.621) 0.909 3.251 ( -2.569 0.100 2.652) 3.694 3.312 ( 3.530 0.054 -2.341) 4.236 3.473 ( 1.102 -0.073 -0.212) 1.124 5.090 ( 10.890 0.584 -1.115) 10.962 5.136 ( 6.321 0.855 -4.249) 7.664 5.228 ( 4.104 -0.004 -10.998) 11.739 6.599 ( -2.829 2.373 -0.678) 3.754 6.687 ( 1.061 0.370 0.501) 1.230 6.953 ( -2.531 -2.404 -0.488) 3.525 7.004 ( 0.145 -0.983 -1.357) 1.682 7.199 ( 0.477 0.148 4.598) 4.625 7.548 ( 2.397 -2.795 -2.621) 4.520 7.659 ( 1.758 1.742 5.177) 5.739 7.745 ( -0.629 2.173 13.880) 14.063 7.994 ( 1.267 -0.045 -4.723) 4.890 8.139 ( 6.010 0.353 1.354) 6.171 8.223 ( -0.942 -0.143 2.731) 2.892 8.576 ( -0.284 1.173 -7.512) 7.608 8.880 ( 0.603 1.038 4.337) 4.500 8.996 ( 2.240 -0.745 -0.079) 2.362 9.017 ( 0.856 -0.384 -0.067) 0.941 9.054 ( 1.755 -0.863 2.737) 3.364 9.099 ( 0.478 -0.517 4.887) 4.938 10.105 ( 1.130 -0.187 -5.585) 5.702 ======================= Grid point 212 (65/171) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.000 -0.000 0.940) 0.940 0.794 ( 0.000 -0.000 -0.374) 0.374 1.247 ( 0.000 -0.000 0.590) 0.590 1.292 ( 0.000 -0.000 -0.515) 0.515 1.645 ( 0.000 -0.000 2.344) 2.344 1.809 ( 0.000 -0.000 -2.039) 2.039 2.216 ( 0.000 -0.000 3.959) 3.959 2.483 ( 0.000 -0.000 -1.730) 1.730 2.735 ( 0.000 -0.000 -0.602) 0.602 2.745 ( -0.000 -0.000 -0.833) 0.833 2.922 ( 0.000 -0.000 39.007) 39.007 3.108 ( 0.000 -0.000 2.865) 2.865 3.222 ( 0.000 -0.000 1.564) 1.564 3.349 ( 0.000 -0.000 -2.595) 2.595 3.482 ( 0.000 -0.000 -3.016) 3.016 5.171 ( 0.000 -0.000 -12.289) 12.289 5.205 ( 0.000 -0.000 1.156) 1.156 5.278 ( 0.000 -0.000 -5.022) 5.022 6.563 ( 0.000 -0.000 -0.763) 0.763 6.696 ( 0.000 -0.000 -0.713) 0.713 6.938 ( 0.000 -0.000 -0.046) 0.046 7.009 ( 0.000 -0.000 -1.504) 1.504 7.205 ( 0.000 -0.000 4.648) 4.648 7.585 ( 0.000 -0.000 -3.939) 3.939 7.663 ( 0.000 -0.000 3.691) 3.691 7.739 ( 0.000 -0.000 18.483) 18.483 7.997 ( 0.000 -0.000 -4.432) 4.432 8.209 ( -0.000 -0.000 2.263) 2.263 8.210 ( 0.000 0.000 1.350) 1.350 8.567 ( 0.000 -0.000 -8.144) 8.144 8.881 ( 0.000 -0.000 5.501) 5.501 9.025 ( 0.000 -0.000 -0.210) 0.210 9.027 ( 0.000 -0.000 -0.328) 0.328 9.076 ( 0.000 -0.000 4.933) 4.933 9.103 ( 0.000 -0.000 2.122) 2.122 10.117 ( 0.000 -0.000 -5.707) 5.707 ======================= Grid point 221 (66/171) ======================= q-point: ( 0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 3.390 0.000 3.936) 5.195 0.819 ( 15.215 0.000 3.120) 15.531 1.082 ( -3.080 -0.000 -2.017) 3.682 1.119 ( 12.784 0.000 0.435) 12.791 1.195 ( 6.605 0.000 0.537) 6.626 1.295 ( 0.513 0.000 -2.986) 3.030 1.784 ( 13.311 0.000 21.953) 25.673 2.018 ( 1.640 0.000 0.599) 1.746 2.232 ( 22.755 0.000 20.208) 30.433 2.544 ( 7.364 0.000 -9.287) 11.852 2.702 ( 11.707 0.000 -7.857) 14.100 2.973 ( 26.935 0.000 2.253) 27.029 3.056 ( 4.214 0.000 12.234) 12.940 3.066 ( 25.622 0.000 0.228) 25.623 3.351 ( 2.414 0.000 19.215) 19.366 3.430 ( -0.376 -0.000 -2.537) 2.564 3.513 ( -3.903 -0.000 -3.413) 5.184 5.118 ( 2.785 0.000 -21.456) 21.637 5.656 ( 45.413 0.000 5.302) 45.722 6.297 ( 19.158 0.000 -15.851) 24.866 6.857 ( 3.113 0.000 -0.606) 3.171 6.879 ( 3.178 0.000 -1.440) 3.489 7.381 ( -3.466 -0.000 2.436) 4.237 7.517 ( -3.021 -0.000 2.276) 3.782 7.684 ( -3.963 -0.000 -7.116) 8.145 7.727 ( -9.677 -0.000 -0.256) 9.681 8.030 ( 6.185 0.000 -0.318) 6.193 8.039 ( 4.322 0.000 0.770) 4.390 8.093 ( 0.110 0.000 1.815) 1.819 8.212 ( -2.242 -0.000 -5.957) 6.364 8.729 ( 1.909 0.000 2.557) 3.191 8.885 ( -1.774 -0.000 -1.000) 2.037 8.958 ( -2.971 -0.000 3.798) 4.822 9.207 ( -7.709 -0.000 -1.816) 7.920 9.488 ( -10.304 -0.000 15.500) 18.612 10.145 ( -3.447 -0.000 -2.685) 4.370 ======================= Grid point 222 (67/171) ======================= q-point: ( 0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.926 -0.377 2.313) 2.520 0.979 ( -2.171 0.419 -2.790) 3.560 1.096 ( 8.755 1.034 2.507) 9.165 1.293 ( -0.001 0.438 -2.304) 2.345 1.345 ( 8.991 0.377 -0.428) 9.009 1.352 ( 9.099 -0.790 -0.450) 9.144 2.071 ( 12.394 0.841 12.258) 17.452 2.081 ( 7.913 -0.653 6.617) 10.336 2.508 ( 7.320 -0.036 11.383) 13.534 2.769 ( 14.102 -0.284 -2.544) 14.333 2.858 ( 5.822 -0.202 -5.218) 7.821 3.142 ( 3.319 -0.103 6.871) 7.631 3.304 ( 2.320 0.086 16.903) 17.062 3.381 ( -0.938 -0.465 -2.444) 2.659 3.430 ( -3.595 0.069 -0.844) 3.693 3.623 ( 31.723 -0.035 2.414) 31.815 3.761 ( 33.912 -0.364 0.489) 33.918 5.125 ( -0.017 -0.116 -19.792) 19.793 6.527 ( 8.100 0.266 1.363) 8.218 6.541 ( 39.218 0.032 0.904) 39.229 6.889 ( 0.579 0.236 0.283) 0.686 6.943 ( 2.868 -0.267 -0.525) 2.928 7.313 ( -2.941 0.143 1.947) 3.530 7.458 ( -3.067 1.452 0.755) 3.477 7.491 ( -12.174 -0.942 0.318) 12.214 7.606 ( -3.290 0.264 -6.216) 7.038 7.989 ( -4.708 0.229 3.821) 6.068 8.128 ( 2.113 0.315 -1.662) 2.707 8.187 ( 1.293 0.120 -1.078) 1.688 8.262 ( 11.424 0.109 -1.003) 11.469 8.770 ( 4.448 9.558 1.170) 10.607 8.875 ( -0.707 -7.511 -1.506) 7.693 8.936 ( 0.354 0.040 1.868) 1.901 9.069 ( -6.427 -0.597 -1.763) 6.691 9.314 ( -8.040 0.163 11.652) 14.158 10.087 ( -2.238 -0.011 -3.887) 4.485 ======================= Grid point 223 (68/171) ======================= q-point: ( 0.21 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -0.213 -0.258 1.563) 1.598 0.910 ( -3.710 0.048 -1.541) 4.018 1.238 ( 5.448 0.673 0.314) 5.498 1.286 ( -0.303 0.551 -0.793) 1.012 1.495 ( 6.899 -0.128 0.026) 6.900 1.516 ( 7.485 1.809 -1.375) 7.822 2.187 ( 6.263 -0.026 1.999) 6.574 2.362 ( 13.154 0.189 10.739) 16.982 2.626 ( 6.043 -0.016 14.906) 16.085 2.934 ( 1.389 -0.503 -3.412) 3.718 2.994 ( 6.346 -0.174 -1.059) 6.436 3.143 ( -1.770 -0.096 3.251) 3.703 3.281 ( -7.081 0.015 -1.705) 7.284 3.360 ( 3.222 0.074 12.987) 13.381 3.375 ( -2.496 -0.217 2.617) 3.623 4.252 ( 30.680 0.170 1.799) 30.734 4.406 ( 30.335 -0.242 -0.522) 30.340 5.136 ( 1.229 0.061 -18.441) 18.482 6.614 ( 2.963 0.136 5.173) 5.963 6.802 ( -3.699 0.926 -1.553) 4.117 6.980 ( 0.802 -0.484 0.192) 0.956 7.101 ( 2.758 -0.093 -3.007) 4.082 7.269 ( -7.095 -0.275 3.124) 7.757 7.409 ( 19.605 0.034 2.871) 19.814 7.441 ( 0.537 -0.902 -0.433) 1.135 7.576 ( 0.565 0.193 -0.918) 1.095 7.896 ( -4.110 1.228 5.979) 7.359 8.113 ( -1.788 -0.419 -2.999) 3.516 8.238 ( 1.875 0.455 2.121) 2.867 8.469 ( 9.260 0.608 -2.976) 9.745 8.822 ( 5.367 5.413 0.477) 7.638 8.901 ( -1.032 -2.045 -2.811) 3.626 8.954 ( 1.258 0.448 0.759) 1.536 8.995 ( -0.372 -2.177 0.228) 2.220 9.171 ( -6.457 -0.109 10.678) 12.478 10.064 ( -0.153 -0.032 -4.688) 4.691 ======================= Grid point 224 (69/171) ======================= q-point: ( 0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -0.445 0.025 0.996) 1.091 0.843 ( -3.284 -0.693 -0.866) 3.466 1.275 ( -0.322 0.604 0.045) 0.686 1.302 ( 1.553 0.464 -0.532) 1.706 1.603 ( 4.521 2.022 0.129) 4.954 1.639 ( 6.210 0.746 -1.022) 6.337 2.294 ( 3.575 -0.324 2.740) 4.516 2.563 ( 7.349 0.221 0.472) 7.367 2.748 ( 5.274 -0.223 26.298) 26.822 2.884 ( -7.337 -0.411 -0.009) 7.348 2.905 ( -9.473 0.321 2.944) 9.925 3.156 ( -4.114 0.342 -2.263) 4.708 3.217 ( 5.889 -0.157 -0.713) 5.934 3.312 ( -3.223 0.086 3.290) 4.606 3.432 ( 3.081 0.003 6.185) 6.910 4.773 ( 22.284 0.406 1.132) 22.317 4.899 ( 19.735 0.512 -0.535) 19.749 5.169 ( 2.071 0.056 -17.325) 17.448 6.660 ( 2.066 0.311 3.440) 4.024 6.711 ( -4.302 1.749 -0.724) 4.700 6.986 ( -0.218 -0.806 -0.925) 1.246 7.006 ( -6.435 -1.472 -1.829) 6.850 7.203 ( -1.035 0.108 4.245) 4.371 7.465 ( 1.916 -1.664 -1.353) 2.876 7.616 ( 3.129 0.199 5.411) 6.254 7.816 ( 7.982 1.290 2.641) 8.506 7.829 ( 6.375 1.049 3.919) 7.556 8.084 ( -0.877 -0.553 -1.281) 1.648 8.245 ( -0.559 0.477 2.388) 2.499 8.585 ( 2.771 1.385 -5.965) 6.722 8.871 ( 0.732 0.156 0.262) 0.793 8.929 ( 5.146 1.564 -0.390) 5.392 8.986 ( 1.610 -0.030 0.358) 1.649 9.023 ( 0.208 -1.641 0.466) 1.718 9.083 ( -1.684 -0.659 10.253) 10.411 10.077 ( 1.241 -0.120 -5.219) 5.366 ======================= Grid point 225 (70/171) ======================= q-point: ( 0.36 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -0.272 0.534 0.710) 0.929 0.796 ( -1.853 -1.330 -0.362) 2.310 1.264 ( -0.535 0.607 0.339) 0.877 1.305 ( -0.673 0.464 -0.596) 1.012 1.653 ( 2.003 2.897 1.095) 3.688 1.747 ( 4.693 -0.655 -1.376) 4.935 2.285 ( -4.810 -0.696 3.708) 6.113 2.585 ( -7.471 -0.094 -3.407) 8.212 2.718 ( 0.684 0.891 2.779) 2.998 2.764 ( -3.500 -0.397 0.143) 3.525 2.885 ( 3.657 0.041 34.730) 34.922 3.115 ( -0.696 0.293 0.756) 1.069 3.252 ( -2.608 0.130 2.479) 3.600 3.312 ( 3.591 0.028 -2.255) 4.241 3.473 ( 1.089 -0.050 -0.196) 1.108 5.096 ( 10.935 0.494 -0.656) 10.966 5.148 ( 6.102 1.542 -4.625) 7.810 5.223 ( 3.859 -0.852 -11.080) 11.763 6.621 ( -3.702 1.896 -0.775) 4.231 6.690 ( 0.968 0.289 0.819) 1.300 6.931 ( -1.831 -1.901 -0.451) 2.678 6.994 ( 0.459 -0.860 -1.700) 1.960 7.201 ( 0.507 0.259 4.505) 4.540 7.519 ( 2.207 -2.544 -1.470) 3.675 7.674 ( 2.618 0.996 7.821) 8.308 7.772 ( -1.442 2.922 10.107) 10.619 7.990 ( 1.059 -0.644 -4.445) 4.615 8.141 ( 6.166 -0.024 1.696) 6.395 8.225 ( -0.919 0.525 2.236) 2.474 8.586 ( -1.002 0.758 -7.894) 7.994 8.889 ( 0.352 0.779 4.398) 4.480 8.988 ( 1.805 -0.744 0.627) 2.050 9.014 ( 1.024 -0.349 -0.054) 1.083 9.048 ( 2.501 -0.206 2.117) 3.283 9.092 ( 0.597 -0.761 5.090) 5.181 10.103 ( 1.182 -0.149 -5.567) 5.693 ======================= Grid point 226 (71/171) ======================= q-point: ( 0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -0.331 0.145 0.919) 0.988 0.793 ( 0.979 -0.147 -0.354) 1.052 1.249 ( -0.427 0.463 0.518) 0.816 1.291 ( -0.474 -0.349 -0.476) 0.756 1.653 ( -0.898 1.525 2.157) 2.790 1.801 ( -0.658 -1.491 -1.827) 2.448 2.216 ( 0.726 0.039 3.938) 4.004 2.483 ( -0.274 -0.055 -1.757) 1.779 2.735 ( -0.018 -0.023 -0.620) 0.621 2.745 ( -0.296 0.008 -0.788) 0.841 2.922 ( -0.037 -0.047 39.018) 39.018 3.108 ( -0.227 -0.017 2.857) 2.866 3.222 ( -0.003 0.107 1.552) 1.556 3.349 ( -0.082 -0.004 -2.597) 2.599 3.482 ( 0.078 0.007 -3.020) 3.021 5.175 ( -0.393 0.778 -12.638) 12.668 5.205 ( -0.160 0.004 1.114) 1.126 5.274 ( -0.338 -0.734 -4.626) 4.696 6.562 ( -1.447 -0.138 -0.763) 1.642 6.696 ( -0.244 -0.002 -0.715) 0.755 6.938 ( 1.512 0.007 -0.117) 1.516 7.008 ( 0.575 -0.077 -1.551) 1.656 7.206 ( -0.039 0.210 4.735) 4.740 7.565 ( 0.760 -3.088 -1.984) 3.748 7.685 ( -0.614 3.210 2.453) 4.086 7.741 ( -0.730 0.442 17.786) 17.807 7.992 ( -0.286 -0.894 -4.303) 4.404 8.202 ( -1.209 -0.536 1.534) 2.026 8.221 ( 1.271 1.174 1.909) 2.576 8.566 ( -0.600 -0.184 -8.086) 8.111 8.879 ( -0.715 -0.232 5.530) 5.581 9.025 ( 0.235 -0.003 -0.218) 0.321 9.026 ( 0.568 -0.216 -0.277) 0.668 9.078 ( 0.549 0.413 4.883) 4.931 9.102 ( 0.256 -0.141 2.091) 2.112 10.117 ( 0.121 0.000 -5.707) 5.708 ======================= Grid point 227 (72/171) ======================= q-point: (-0.50 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.482 -0.232 1.191) 1.306 0.823 ( 2.207 1.214 -0.679) 2.609 1.251 ( 0.360 -0.530 0.383) 0.747 1.291 ( 0.040 -0.906 -0.591) 1.082 1.606 ( -3.741 -1.490 2.191) 4.584 1.741 ( -5.269 -1.114 -1.391) 5.562 2.302 ( 4.929 0.882 3.624) 6.181 2.585 ( 8.525 -0.157 -2.422) 8.863 2.703 ( -2.228 -0.553 1.679) 2.844 2.767 ( 4.083 -0.165 -0.602) 4.130 2.884 ( -3.840 -0.084 35.264) 35.473 3.108 ( 0.434 -0.336 0.482) 0.731 3.250 ( 2.498 -0.030 2.821) 3.768 3.311 ( -3.483 -0.078 -2.463) 4.267 3.474 ( -1.116 0.085 -0.237) 1.144 5.084 ( -10.987 -0.506 -1.223) 11.066 5.131 ( -6.651 -0.059 -3.943) 7.732 5.223 ( -4.143 -0.827 -11.190) 11.961 6.574 ( 1.933 -2.384 -0.570) 3.122 6.683 ( -1.176 -0.377 0.147) 1.244 6.979 ( 3.340 2.421 -0.664) 4.178 7.014 ( 0.219 0.906 -1.055) 1.408 7.198 ( -0.410 0.129 4.852) 4.871 7.567 ( -1.709 0.211 -3.298) 3.721 7.647 ( -1.680 0.131 3.643) 4.014 7.729 ( -0.414 -1.011 16.110) 16.147 7.991 ( -1.174 -0.706 -4.913) 5.100 8.134 ( -5.939 -0.566 1.137) 6.073 8.228 ( 0.733 0.826 2.910) 3.113 8.562 ( -0.558 -1.426 -6.909) 7.076 8.869 ( -0.779 -1.014 4.213) 4.402 9.003 ( -2.202 0.720 -0.377) 2.347 9.021 ( -0.724 0.350 -0.137) 0.815 9.064 ( -1.381 0.994 2.095) 2.699 9.103 ( -0.387 0.302 5.544) 5.566 10.107 ( -1.072 0.188 -5.605) 5.710 ======================= Grid point 228 (73/171) ======================= q-point: (-0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.915 -0.011 1.318) 1.605 0.862 ( 2.423 1.047 -1.000) 2.823 1.259 ( 0.016 -0.902 0.074) 0.906 1.288 ( -1.414 -0.850 -0.613) 1.760 1.529 ( -5.545 -4.603 1.243) 7.313 1.630 ( -6.369 -0.286 -1.152) 6.479 2.304 ( -3.989 0.571 2.848) 4.934 2.556 ( -7.932 -0.391 1.361) 8.058 2.754 ( -5.293 0.303 25.667) 26.209 2.879 ( 10.433 -0.887 3.358) 10.996 2.911 ( 7.758 0.810 -0.811) 7.842 3.146 ( 4.265 -0.506 -2.513) 4.976 3.221 ( -5.411 0.208 -0.683) 5.458 3.309 ( 3.248 -0.144 3.433) 4.728 3.432 ( -3.169 -0.033 5.949) 6.741 4.761 ( -22.212 -0.644 1.156) 22.252 4.888 ( -18.708 -0.353 -0.743) 18.726 5.164 ( -2.335 -0.440 -17.229) 17.393 6.646 ( 0.668 -1.660 1.265) 2.191 6.663 ( 1.935 -1.963 1.057) 2.952 7.010 ( 0.134 1.343 -0.506) 1.441 7.050 ( 5.164 2.466 -2.000) 6.062 7.205 ( 1.752 0.534 4.793) 5.131 7.512 ( -2.377 2.542 -2.347) 4.198 7.606 ( -2.855 -0.764 3.922) 4.911 7.760 ( 2.500 -2.851 10.111) 10.798 7.828 ( -16.337 0.172 -0.810) 16.358 8.088 ( 1.311 -0.373 -2.139) 2.537 8.239 ( 0.271 0.071 2.779) 2.793 8.539 ( -3.550 -2.912 -4.128) 6.174 8.848 ( -3.404 -1.447 0.485) 3.731 8.929 ( -3.529 1.166 0.209) 3.722 8.992 ( -1.902 0.424 -0.194) 1.958 9.045 ( -0.874 0.336 -0.511) 1.066 9.097 ( 1.644 0.656 9.874) 10.031 10.080 ( -1.323 0.196 -5.287) 5.453 ======================= Grid point 229 (74/171) ======================= q-point: (-0.36 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 0.780 0.520 1.521) 1.787 0.908 ( 2.518 -0.202 -1.315) 2.848 1.216 ( -6.681 -1.180 0.891) 6.842 1.266 ( -0.021 -1.253 -0.415) 1.320 1.447 ( -5.312 -4.480 -0.762) 6.991 1.499 ( -7.082 0.104 -1.016) 7.155 2.189 ( -6.736 0.099 2.108) 7.059 2.355 ( -12.917 -0.503 10.199) 16.466 2.625 ( -6.538 -0.189 15.466) 16.792 2.952 ( -1.621 1.097 -3.499) 4.009 3.000 ( -4.804 0.355 -0.589) 4.853 3.147 ( 1.543 0.309 3.083) 3.461 3.282 ( 7.170 0.146 -1.128) 7.259 3.358 ( -1.807 -0.140 10.768) 10.919 3.381 ( 2.042 0.312 3.960) 4.466 4.246 ( -30.369 -0.402 1.885) 30.430 4.416 ( -29.243 0.732 -0.712) 29.261 5.134 ( -0.868 -0.135 -18.426) 18.447 6.609 ( -2.836 -0.303 4.869) 5.643 6.766 ( 4.215 -2.497 -1.409) 5.097 6.998 ( -1.140 1.196 0.187) 1.663 7.103 ( -4.111 -0.021 -2.053) 4.596 7.285 ( 7.096 1.416 2.433) 7.634 7.413 ( -19.118 0.411 2.429) 19.276 7.468 ( -2.462 1.473 -0.033) 2.869 7.567 ( -1.084 -0.754 -1.514) 2.009 7.856 ( 5.374 -2.407 7.398) 9.456 8.124 ( 1.520 0.534 -3.214) 3.595 8.225 ( -2.080 -0.611 2.137) 3.044 8.442 ( -7.829 -2.149 -2.168) 8.403 8.700 ( -11.259 -5.585 3.529) 13.054 8.933 ( 2.820 1.315 -2.785) 4.176 8.955 ( -1.284 0.381 0.221) 1.357 9.030 ( 0.949 0.934 -0.613) 1.466 9.174 ( 5.747 0.129 9.924) 11.469 10.065 ( 0.066 0.077 -4.728) 4.729 ======================= Grid point 230 (75/171) ======================= q-point: (-0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -0.027 1.321 1.974) 2.375 0.956 ( 0.586 -1.587 -2.002) 2.621 1.050 ( -9.510 -2.471 3.435) 10.409 1.272 ( -0.238 -1.311 -1.128) 1.746 1.342 ( -7.477 -0.202 -1.949) 7.730 1.365 ( -6.332 0.153 -1.079) 6.425 2.053 ( -10.531 -0.852 7.426) 12.914 2.089 ( -10.311 -0.010 11.366) 15.346 2.506 ( -6.614 -0.351 10.562) 12.467 2.786 ( -14.047 1.311 -1.545) 14.193 2.869 ( -5.928 0.826 -5.016) 7.809 3.149 ( -3.089 0.616 7.090) 7.759 3.303 ( -2.071 0.062 15.941) 16.075 3.404 ( 1.837 1.489 -1.624) 2.869 3.426 ( 2.990 -0.199 -1.061) 3.179 3.624 ( -31.448 0.002 2.397) 31.539 3.783 ( -33.329 1.697 0.590) 33.377 5.131 ( 0.547 0.507 -19.660) 19.674 6.515 ( -21.068 -0.755 1.420) 21.130 6.536 ( -26.501 -0.530 0.251) 26.507 6.875 ( -0.394 -0.994 0.672) 1.263 6.958 ( -3.423 1.061 -0.786) 3.669 7.305 ( 2.623 -0.595 1.991) 3.346 7.409 ( 0.927 -2.942 1.704) 3.524 7.511 ( 8.881 0.624 -0.268) 8.907 7.590 ( 3.035 -1.244 -6.715) 7.474 7.972 ( 4.440 -1.543 3.967) 6.151 8.108 ( -4.107 -1.504 -0.065) 4.374 8.181 ( -1.453 -0.364 0.688) 1.649 8.260 ( -10.583 0.081 -1.526) 10.692 8.548 ( -7.553 -10.456 7.342) 14.842 8.932 ( -0.649 -0.148 0.566) 0.874 8.993 ( 4.272 3.549 -3.722) 6.686 9.102 ( 6.933 2.232 -1.619) 7.461 9.305 ( 7.401 -0.637 10.737) 13.056 10.087 ( 2.263 0.018 -3.813) 4.434 ======================= Grid point 231 (76/171) ======================= q-point: (-0.21 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -2.432 3.038 3.618) 5.313 0.782 ( -13.152 -1.271 4.140) 13.847 1.054 ( 3.198 -2.782 -1.136) 4.388 1.181 ( -8.406 1.918 -1.270) 8.715 1.195 ( -8.218 2.431 0.176) 8.572 1.289 ( -0.666 -0.450 -2.553) 2.676 1.780 ( -13.318 -0.284 21.697) 25.459 2.006 ( -2.191 -1.259 0.625) 2.603 2.266 ( -20.675 2.907 19.814) 28.784 2.538 ( -8.131 -0.308 -9.307) 12.362 2.710 ( -11.536 0.700 -7.473) 13.763 2.966 ( -24.718 -0.320 3.255) 24.934 3.066 ( -19.777 0.301 6.962) 20.969 3.082 ( -11.995 1.925 4.462) 12.942 3.364 ( -2.529 1.212 18.869) 19.076 3.443 ( 0.130 1.182 -2.109) 2.421 3.509 ( 3.869 -0.338 -3.326) 5.113 5.129 ( -2.645 1.019 -21.214) 21.402 5.642 ( -45.655 -1.242 4.971) 45.942 6.268 ( -22.340 -2.973 -16.825) 28.124 6.848 ( -3.129 -0.757 -0.097) 3.221 6.884 ( -3.355 0.382 -1.441) 3.672 7.371 ( 3.047 -1.074 2.326) 3.981 7.450 ( 1.497 -7.566 5.126) 9.260 7.622 ( 1.445 -3.392 -3.728) 5.243 7.734 ( 8.614 -0.573 -2.839) 9.088 7.990 ( -4.542 -2.825 0.226) 5.353 8.018 ( -4.487 -4.931 1.240) 6.781 8.055 ( -7.736 -1.024 1.105) 7.882 8.231 ( 4.644 1.601 0.454) 4.934 8.506 ( -2.776 -10.150 9.158) 13.950 8.929 ( 0.257 0.009 1.258) 1.284 9.066 ( 5.339 5.535 -4.008) 8.672 9.251 ( 9.513 4.179 -2.891) 10.785 9.470 ( 9.368 -1.562 13.622) 16.606 10.147 ( 3.604 0.104 -2.475) 4.373 ======================= Grid point 232 (77/171) ======================= q-point: (-0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -9.917 5.485 9.393) 14.720 0.670 ( -4.675 5.382 7.523) 10.364 0.936 ( -12.773 8.943 2.950) 15.869 1.036 ( -5.026 0.073 -1.251) 5.180 1.177 ( 4.623 -4.024 -0.863) 6.190 1.269 ( -1.535 -0.162 -0.256) 1.565 1.572 ( -9.642 -0.187 14.457) 17.378 1.766 ( -20.074 1.533 30.750) 36.755 2.017 ( 0.958 1.071 0.319) 1.472 2.324 ( -20.783 0.336 -6.552) 21.794 2.451 ( -2.896 0.343 -10.380) 10.782 2.658 ( -14.169 0.051 0.401) 14.175 2.687 ( -7.010 0.264 -0.287) 7.021 3.012 ( -0.943 0.895 14.356) 14.415 3.422 ( 10.431 0.452 25.859) 27.887 3.447 ( 0.690 0.677 -4.219) 4.328 3.575 ( 2.628 -0.334 -4.651) 5.353 4.654 ( -35.955 -0.512 -0.761) 35.967 5.243 ( -4.012 -1.313 -16.296) 16.834 5.573 ( -54.788 -7.631 -36.584) 66.320 6.788 ( -3.025 0.071 0.160) 3.030 6.831 ( -1.637 -0.261 -1.052) 1.964 7.426 ( 1.790 -1.665 2.921) 3.809 7.535 ( 2.487 -6.190 5.678) 8.760 7.647 ( -1.008 -10.908 5.786) 12.388 7.810 ( -1.011 -0.043 -0.445) 1.105 7.886 ( -5.769 -1.705 0.192) 6.018 7.983 ( -0.754 -4.938 2.815) 5.734 8.035 ( 1.442 -6.433 -1.851) 6.848 8.300 ( 3.114 3.667 -4.496) 6.584 8.538 ( 0.011 -12.751 13.096) 18.278 8.939 ( 0.649 0.365 1.771) 1.921 9.127 ( 3.740 6.541 -3.519) 8.316 9.393 ( 6.402 4.823 -4.261) 9.078 9.724 ( 16.151 -4.827 16.277) 23.433 10.214 ( 3.143 0.456 -0.913) 3.305 ======================= Grid point 233 (78/171) ======================= q-point: (-0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( -0.000 17.522 8.731) 19.577 0.522 ( -0.000 6.970 18.330) 19.611 0.729 ( -0.000 4.742 11.556) 12.491 0.981 ( -0.000 0.003 -1.123) 1.123 1.251 ( 0.000 -0.943 1.102) 1.451 1.267 ( 0.000 -2.733 1.088) 2.941 1.408 ( -0.000 0.086 6.008) 6.008 1.623 ( 0.000 -0.111 37.133) 37.133 2.028 ( -0.000 2.575 -1.566) 3.014 2.083 ( -0.000 0.701 -6.562) 6.599 2.436 ( -0.000 0.547 -11.792) 11.804 2.511 ( -0.000 0.162 1.410) 1.419 2.623 ( 0.000 -0.018 -1.221) 1.221 3.010 ( -0.000 0.416 13.229) 13.236 3.454 ( -0.000 0.367 -4.837) 4.851 3.604 ( 0.000 -0.492 -5.147) 5.171 4.023 ( 0.000 -9.459 11.831) 15.147 4.233 ( -0.000 0.618 1.829) 1.931 4.259 ( 0.000 -0.395 1.256) 1.317 5.263 ( -0.000 1.546 -18.215) 18.281 6.752 ( -0.000 0.302 0.234) 0.382 6.819 ( 0.000 -0.282 -1.184) 1.217 7.452 ( 0.000 -1.121 3.080) 3.278 7.567 ( 0.000 -0.631 2.047) 2.142 7.740 ( 0.000 -15.547 10.130) 18.556 7.784 ( 0.000 -0.533 0.476) 0.715 7.821 ( 0.000 -0.109 -0.318) 0.336 8.011 ( 0.000 -7.374 2.020) 7.646 8.087 ( 0.000 -4.552 -1.425) 4.770 8.309 ( -0.000 4.090 -7.555) 8.592 8.626 ( 0.000 -18.631 13.002) 22.719 8.943 ( -0.000 1.189 1.536) 1.942 9.129 ( -0.000 7.910 -2.226) 8.217 9.434 ( -0.000 3.704 -4.203) 5.602 10.030 ( 0.000 -14.933 6.541) 16.302 10.251 ( -0.000 1.143 -0.364) 1.200 ======================= Grid point 236 (79/171) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -0.124 -0.000 1.562) 1.567 0.911 ( -3.875 -0.000 -1.580) 4.185 1.241 ( 5.260 0.000 0.251) 5.266 1.288 ( -0.374 -0.000 -0.867) 0.944 1.494 ( 6.971 0.000 0.177) 6.974 1.525 ( 7.695 0.000 -1.449) 7.830 2.187 ( 6.191 0.000 1.976) 6.499 2.363 ( 13.195 0.000 10.787) 17.043 2.626 ( 5.985 0.000 14.874) 16.033 2.931 ( 1.351 0.000 -3.396) 3.655 2.993 ( 6.564 0.000 -1.135) 6.661 3.143 ( -1.806 -0.000 3.276) 3.741 3.281 ( -7.110 -0.000 -1.834) 7.343 3.361 ( 3.804 0.000 13.870) 14.382 3.373 ( -2.905 -0.000 1.901) 3.472 4.253 ( 30.731 0.000 1.789) 30.783 4.405 ( 30.492 0.000 -0.500) 30.496 5.137 ( 1.275 0.000 -18.443) 18.487 6.614 ( 2.981 0.000 5.214) 6.006 6.807 ( -3.642 -0.000 -1.567) 3.965 6.977 ( 0.748 0.000 0.192) 0.772 7.101 ( 2.558 0.000 -3.126) 4.040 7.267 ( -7.053 -0.000 3.193) 7.742 7.410 ( 20.288 0.000 3.139) 20.530 7.436 ( -0.326 -0.000 -0.672) 0.747 7.577 ( 0.474 0.000 -0.829) 0.955 7.903 ( -3.862 -0.000 5.710) 6.893 8.110 ( -1.889 -0.000 -2.939) 3.494 8.240 ( 1.855 0.000 2.106) 2.806 8.472 ( 9.407 0.000 -2.966) 9.864 8.863 ( 3.079 0.000 -0.776) 3.175 8.879 ( 1.017 0.000 -2.417) 2.622 8.959 ( 1.715 0.000 1.243) 2.118 8.980 ( -1.085 -0.000 0.245) 1.112 9.170 ( -6.569 -0.000 10.801) 12.641 10.064 ( -0.165 -0.000 -4.682) 4.685 ======================= Grid point 237 (80/171) ======================= q-point: ( 0.21 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -0.297 0.012 0.910) 0.957 0.838 ( -3.521 -0.252 -0.828) 3.626 1.280 ( -0.445 0.223 0.037) 0.499 1.306 ( 1.579 0.155 -0.505) 1.665 1.615 ( 5.408 0.456 0.126) 5.429 1.646 ( 5.140 0.512 -1.218) 5.307 2.292 ( 3.469 -0.115 2.694) 4.394 2.564 ( 7.205 0.079 0.198) 7.209 2.747 ( 5.315 -0.082 26.571) 27.097 2.881 ( -6.827 -0.215 -0.497) 6.848 2.908 ( -9.713 0.169 3.495) 10.324 3.158 ( -4.097 0.125 -2.197) 4.650 3.216 ( 6.031 -0.060 -0.731) 6.075 3.312 ( -3.216 0.030 3.247) 4.571 3.432 ( 3.077 -0.001 6.238) 6.956 4.776 ( 22.302 0.145 1.129) 22.331 4.903 ( 20.096 0.210 -0.458) 20.102 5.169 ( 1.887 -0.001 -17.380) 17.482 6.662 ( 2.124 0.104 3.624) 4.202 6.724 ( -4.188 0.602 -0.793) 4.305 6.981 ( -0.153 -0.275 -1.014) 1.062 6.995 ( -6.841 -0.510 -1.859) 7.108 7.204 ( -0.941 0.057 4.131) 4.237 7.453 ( 1.775 -0.585 -1.136) 2.187 7.617 ( 3.174 0.052 5.780) 6.595 7.820 ( 16.464 0.032 -0.856) 16.487 7.843 ( -1.903 0.882 6.708) 7.028 8.079 ( -0.840 -0.296 -0.978) 1.323 8.249 ( -0.546 0.219 2.213) 2.290 8.595 ( 2.642 0.453 -6.229) 6.781 8.870 ( 0.624 -0.121 0.113) 0.646 8.945 ( 4.935 1.095 -1.267) 5.211 8.990 ( 1.167 0.932 0.788) 1.688 9.005 ( 0.591 -1.828 0.715) 2.050 9.078 ( -1.911 -0.287 10.740) 10.912 10.076 ( 1.220 -0.043 -5.201) 5.343 ======================= Grid point 238 (81/171) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.128 0.597 0.467) 0.769 0.783 ( -2.065 -1.041 -0.168) 2.319 1.269 ( -0.471 0.345 0.320) 0.666 1.309 ( -0.932 0.229 -0.565) 1.113 1.684 ( 2.272 2.880 0.397) 3.690 1.735 ( 3.723 -1.596 -1.052) 4.185 2.279 ( -4.786 -0.392 3.743) 6.088 2.584 ( -7.144 -0.090 -3.762) 8.075 2.727 ( 0.326 0.718 3.567) 3.653 2.760 ( -3.368 -0.462 0.049) 3.400 2.885 ( 3.564 0.019 34.519) 34.702 3.117 ( -0.799 0.165 0.856) 1.183 3.253 ( -2.620 0.091 2.345) 3.517 3.313 ( 3.645 0.010 -2.207) 4.261 3.472 ( 1.081 -0.024 -0.189) 1.098 5.100 ( 10.965 0.270 -0.244) 10.971 5.166 ( 6.486 1.849 -4.088) 7.887 5.211 ( 3.157 -1.449 -12.023) 12.515 6.636 ( -4.355 1.051 -0.843) 4.559 6.693 ( 0.917 0.155 1.040) 1.395 6.916 ( -1.358 -1.044 -0.475) 1.778 6.987 ( 0.663 -0.509 -1.980) 2.149 7.203 ( 0.534 0.189 4.504) 4.539 7.498 ( 1.979 -1.415 -0.789) 2.557 7.681 ( 2.999 0.365 9.736) 10.194 7.800 ( -1.641 2.114 7.560) 8.020 7.983 ( 0.730 -0.692 -4.221) 4.339 8.140 ( 6.304 -0.132 1.946) 6.599 8.231 ( -0.752 0.543 1.779) 2.007 8.592 ( -1.474 0.347 -8.068) 8.209 8.895 ( 0.191 0.380 4.415) 4.435 8.981 ( 1.258 -0.521 1.454) 1.992 9.011 ( 1.216 -0.223 -0.084) 1.239 9.050 ( 3.129 0.383 0.361) 3.173 9.084 ( 0.683 -0.776 6.250) 6.335 10.102 ( 1.218 -0.083 -5.554) 5.686 ======================= Grid point 239 (82/171) ======================= q-point: ( 0.36 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -0.686 0.196 0.870) 1.126 0.791 ( 1.854 -0.197 -0.306) 1.889 1.256 ( -0.622 0.749 0.334) 1.029 1.286 ( -0.975 -0.609 -0.362) 1.206 1.675 ( -1.719 2.701 1.642) 3.598 1.780 ( -1.101 -2.657 -1.255) 3.138 2.217 ( 1.306 0.049 3.891) 4.104 2.482 ( -0.490 -0.069 -1.817) 1.883 2.735 ( -0.066 -0.027 -0.658) 0.661 2.745 ( -0.502 0.009 -0.689) 0.853 2.921 ( -0.068 -0.058 39.043) 39.043 3.107 ( -0.405 -0.021 2.839) 2.867 3.224 ( -0.009 0.132 1.526) 1.532 3.349 ( -0.148 -0.005 -2.602) 2.606 3.482 ( 0.140 0.009 -3.031) 3.034 5.186 ( -0.869 1.169 -13.572) 13.650 5.205 ( -0.101 0.075 0.673) 0.685 5.264 ( -0.636 -1.184 -3.236) 3.504 6.561 ( -2.595 -0.172 -0.762) 2.710 6.696 ( -0.441 -0.003 -0.718) 0.843 6.938 ( 2.704 0.016 -0.274) 2.718 7.007 ( 1.048 -0.108 -1.657) 1.964 7.209 ( -0.034 0.276 4.933) 4.941 7.534 ( 0.659 -2.498 -0.432) 2.620 7.713 ( 0.375 1.796 6.127) 6.396 7.751 ( -2.132 1.525 12.604) 12.874 7.980 ( -0.498 -1.222 -4.042) 4.253 8.198 ( -1.106 -0.260 1.218) 1.665 8.232 ( 1.200 1.046 1.868) 2.455 8.564 ( -1.091 -0.240 -7.952) 8.030 8.876 ( -1.231 -0.283 5.590) 5.731 9.023 ( 1.111 -0.256 -0.192) 1.156 9.025 ( 0.366 -0.003 -0.227) 0.431 9.083 ( 0.880 0.614 4.914) 5.030 9.100 ( 0.498 -0.297 1.905) 1.991 10.117 ( 0.218 0.000 -5.706) 5.710 ======================= Grid point 240 (83/171) ======================= q-point: (-0.57 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 0.475 -0.126 1.377) 1.463 0.834 ( 2.477 0.911 -0.779) 2.751 1.247 ( -0.019 -0.161 0.359) 0.394 1.281 ( -0.123 -1.002 -0.517) 1.135 1.595 ( -5.521 -0.605 2.464) 6.076 1.727 ( -4.658 -1.449 -1.157) 5.014 2.310 ( 5.029 0.735 3.588) 6.221 2.583 ( 8.970 -0.231 -2.030) 9.200 2.698 ( -3.012 -0.314 1.426) 3.348 2.764 ( 4.344 -0.303 -1.074) 4.485 2.883 ( -3.881 -0.084 35.477) 35.689 3.105 ( 0.336 -0.254 0.368) 0.559 3.250 ( 2.416 0.028 2.956) 3.818 3.310 ( -3.464 -0.082 -2.599) 4.332 3.475 ( -1.130 0.075 -0.266) 1.163 5.080 ( -11.241 -0.356 -0.958) 11.287 5.135 ( -7.042 0.707 -3.664) 7.970 5.211 ( -3.919 -1.435 -11.724) 12.444 6.551 ( 1.181 -1.919 -0.470) 2.302 6.680 ( -1.287 -0.306 -0.176) 1.334 7.001 ( 4.076 1.914 -0.983) 4.609 7.022 ( 0.559 0.687 -0.847) 1.226 7.201 ( -0.236 0.431 5.242) 5.265 7.551 ( -0.365 -2.538 -1.247) 2.851 7.665 ( -2.917 2.657 1.277) 4.147 7.722 ( -0.948 -0.382 16.492) 16.523 7.981 ( -0.851 -1.178 -4.968) 5.176 8.129 ( -6.037 -0.443 1.026) 6.139 8.238 ( 0.471 1.008 2.786) 3.000 8.548 ( -1.343 -1.338 -6.208) 6.491 8.860 ( -0.803 -0.756 4.040) 4.188 9.010 ( -1.829 0.647 -0.411) 1.984 9.024 ( -0.613 0.232 -0.256) 0.704 9.073 ( -1.511 0.667 0.491) 1.723 9.106 ( -0.244 0.219 6.984) 6.992 10.109 ( -1.019 0.151 -5.622) 5.715 ======================= Grid point 241 (84/171) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 1.114 -0.002 1.482) 1.854 0.873 ( 1.983 0.917 -1.066) 2.431 1.250 ( -0.129 -0.855 0.118) 0.872 1.280 ( -1.092 -0.728 -0.678) 1.477 1.482 ( -6.988 -4.437 2.165) 8.556 1.627 ( -6.003 -0.255 -1.376) 6.164 2.309 ( -4.226 0.567 2.848) 5.128 2.552 ( -8.263 -0.403 1.755) 8.457 2.757 ( -5.421 0.243 25.596) 26.165 2.869 ( 11.039 -0.900 3.504) 11.617 2.919 ( 8.128 0.737 -1.267) 8.259 3.141 ( 4.365 -0.443 -2.641) 5.121 3.223 ( -5.187 0.177 -0.693) 5.236 3.308 ( 3.268 -0.137 3.497) 4.789 3.431 ( -3.267 -0.042 5.801) 6.658 4.755 ( -22.173 -0.577 1.177) 22.212 4.886 ( -18.394 -0.085 -0.801) 18.411 5.159 ( -2.190 -0.569 -17.252) 17.400 6.621 ( 4.016 -2.704 -0.254) 4.848 6.652 ( -1.383 -0.643 2.385) 2.831 7.023 ( 0.180 1.238 -0.301) 1.286 7.073 ( 4.116 1.922 -2.044) 4.982 7.215 ( 2.628 1.351 4.960) 5.774 7.533 ( -1.933 1.115 -2.748) 3.540 7.600 ( -3.109 -0.203 3.289) 4.530 7.735 ( 2.263 -1.956 11.436) 11.821 7.830 ( -16.240 0.099 -1.046) 16.274 8.082 ( 1.747 -0.750 -2.344) 3.018 8.241 ( -0.070 0.390 2.707) 2.736 8.509 ( -4.154 -2.904 -2.709) 5.747 8.836 ( -4.020 -0.930 0.128) 4.128 8.943 ( -3.170 1.412 0.416) 3.495 8.996 ( -1.973 0.361 -0.411) 2.047 9.044 ( -1.488 -0.359 -0.947) 1.800 9.104 ( 1.689 0.565 9.858) 10.018 10.082 ( -1.367 0.179 -5.323) 5.499 ======================= Grid point 242 (85/171) ======================= q-point: (-0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 1.090 0.454 1.437) 1.860 0.906 ( 1.680 -0.261 -1.204) 2.084 1.206 ( -7.292 -0.686 1.429) 7.463 1.253 ( -0.110 -1.253 -0.248) 1.282 1.398 ( -3.953 -5.006 -0.480) 6.397 1.499 ( -7.127 -0.029 -1.549) 7.293 2.190 ( -7.051 0.110 2.140) 7.369 2.349 ( -12.795 -0.575 9.681) 16.055 2.622 ( -6.933 -0.303 16.117) 17.548 2.963 ( -1.764 1.071 -3.536) 4.095 3.004 ( -3.760 0.333 -0.332) 3.790 3.151 ( 1.420 0.369 2.978) 3.320 3.284 ( 7.451 0.254 -0.981) 7.519 3.357 ( -1.916 -0.096 10.898) 11.065 3.384 ( 2.622 0.186 3.450) 4.337 4.242 ( -30.198 -0.417 1.955) 30.264 4.424 ( -28.518 0.857 -0.873) 28.544 5.133 ( -0.589 -0.135 -18.415) 18.425 6.606 ( -2.755 -0.289 4.655) 5.417 6.739 ( 4.616 -2.743 -1.274) 5.518 7.011 ( -1.294 1.340 0.170) 1.870 7.102 ( -4.860 -0.305 -1.328) 5.048 7.303 ( 6.561 2.096 1.774) 7.112 7.418 ( -19.123 0.615 2.480) 19.293 7.482 ( -3.572 1.208 0.077) 3.771 7.558 ( -1.148 -1.007 -1.883) 2.424 7.831 ( 5.797 -2.453 7.919) 10.116 8.129 ( 1.673 0.538 -3.166) 3.621 8.220 ( -2.122 -0.274 1.966) 2.906 8.415 ( -6.821 -3.067 -0.374) 7.488 8.650 ( -14.152 -3.997 3.613) 15.143 8.945 ( 1.773 1.030 -2.306) 3.086 8.960 ( -0.220 0.563 -0.086) 0.611 9.036 ( 1.550 0.181 -0.830) 1.767 9.175 ( 5.330 0.062 9.515) 10.906 10.066 ( 0.007 0.080 -4.753) 4.753 ======================= Grid point 243 (86/171) ======================= q-point: (-0.36 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.452 1.151 1.529) 1.967 0.939 ( 0.376 -1.683 -1.509) 2.291 1.031 ( -9.448 -1.044 3.915) 10.280 1.259 ( -0.105 -1.281 -0.737) 1.482 1.338 ( -5.963 -0.618 -2.601) 6.534 1.362 ( -5.600 -0.649 -1.326) 5.792 2.045 ( -10.293 -0.653 6.208) 12.038 2.086 ( -11.063 -0.427 12.359) 16.593 2.500 ( -6.365 -0.725 10.425) 12.236 2.801 ( -13.765 1.521 -0.973) 13.883 2.878 ( -5.996 0.916 -4.859) 7.772 3.156 ( -2.775 0.861 7.312) 7.868 3.305 ( -1.910 0.309 15.758) 15.876 3.416 ( 4.679 0.409 -1.097) 4.823 3.428 ( 0.439 0.896 -1.765) 2.028 3.624 ( -31.315 -0.133 2.429) 31.409 3.803 ( -32.830 2.077 0.610) 32.901 5.137 ( 0.997 0.599 -19.560) 19.595 6.507 ( -26.424 -0.744 1.159) 26.459 6.529 ( -21.445 -0.766 -0.043) 21.459 6.864 ( -0.160 -1.109 1.039) 1.528 6.969 ( -3.858 1.158 -1.013) 4.153 7.298 ( 2.358 -0.676 2.044) 3.193 7.377 ( -3.044 -3.184 2.319) 4.978 7.515 ( 8.332 0.096 -0.659) 8.358 7.577 ( 2.503 -1.278 -6.918) 7.467 7.951 ( 3.538 -2.573 3.654) 5.700 8.092 ( -5.355 -1.401 1.558) 5.751 8.178 ( -2.211 -0.143 3.098) 3.809 8.262 ( -9.648 0.347 -1.521) 9.773 8.450 ( -6.835 -8.543 8.336) 13.754 8.931 ( -0.711 -0.104 0.112) 0.727 9.022 ( 4.842 2.212 -3.356) 6.292 9.124 ( 7.903 2.022 -1.997) 8.399 9.298 ( 6.954 -0.691 10.140) 12.315 10.088 ( 2.251 0.005 -3.770) 4.391 ======================= Grid point 244 (87/171) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -2.868 1.395 2.114) 3.826 0.796 ( -8.125 4.434 4.835) 10.443 1.019 ( 2.590 -3.875 -0.215) 4.666 1.183 ( -7.774 -0.184 -0.612) 7.800 1.233 ( -5.744 3.205 -2.126) 6.912 1.286 ( -1.181 0.035 -1.828) 2.176 1.777 ( -13.382 -0.321 21.367) 25.214 1.989 ( -2.721 -1.921 0.956) 3.465 2.297 ( -18.119 2.905 19.188) 26.550 2.537 ( -9.194 0.091 -9.029) 12.886 2.718 ( -11.420 0.888 -7.128) 13.491 2.965 ( -24.340 0.130 3.563) 24.600 3.070 ( -20.581 0.418 5.960) 21.431 3.103 ( -11.303 2.128 5.031) 12.554 3.379 ( -2.780 1.600 18.701) 18.974 3.457 ( -0.103 1.381 -1.860) 2.319 3.505 ( 3.811 -0.431 -3.215) 5.004 5.141 ( -2.451 1.394 -20.936) 21.125 5.628 ( -45.878 -1.521 4.614) 46.134 6.228 ( -26.510 -4.685 -17.528) 32.124 6.840 ( -3.186 -0.762 0.673) 3.344 6.888 ( -3.506 0.265 -1.485) 3.816 7.337 ( -2.557 -8.989 7.479) 11.970 7.372 ( 2.532 -3.377 4.438) 6.125 7.595 ( 0.303 -1.935 -2.850) 3.458 7.721 ( 8.244 -2.009 -3.560) 9.202 7.944 ( -4.134 -5.678 2.069) 7.322 7.978 ( -6.806 -2.435 1.624) 7.409 8.047 ( -7.975 -0.775 2.396) 8.363 8.248 ( 5.680 1.768 4.186) 7.274 8.427 ( -0.982 -5.425 6.948) 8.870 8.928 ( 0.224 -0.239 1.106) 1.154 9.108 ( 5.060 2.911 -3.726) 6.926 9.298 ( 10.725 4.541 -4.004) 12.315 9.452 ( 8.626 -1.748 12.030) 14.906 10.147 ( 3.632 -0.000 -2.341) 4.321 ======================= Grid point 245 (88/171) ======================= q-point: (-0.21 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -3.339 10.815 7.670) 13.672 0.727 ( -2.371 5.609 6.155) 8.658 1.035 ( -7.328 4.560 -1.021) 8.692 1.038 ( -7.372 5.097 -0.741) 8.993 1.128 ( 3.228 -5.005 0.921) 6.027 1.268 ( -1.190 0.088 -0.295) 1.230 1.569 ( -9.227 -0.450 16.413) 18.834 1.786 ( -20.709 2.297 26.581) 33.774 2.029 ( 1.357 1.160 1.315) 2.217 2.330 ( -20.000 0.781 -6.380) 21.008 2.454 ( -2.988 0.058 -10.597) 11.010 2.660 ( -13.587 0.211 0.405) 13.595 2.690 ( -7.658 0.322 -0.460) 7.679 3.024 ( -1.207 1.415 14.230) 14.351 3.427 ( 9.136 0.513 25.690) 27.271 3.456 ( 0.554 0.896 -3.716) 3.863 3.570 ( 2.625 -0.531 -4.591) 5.315 4.647 ( -36.265 -0.773 -0.285) 36.274 5.222 ( -12.474 -2.944 -18.105) 22.183 5.480 ( -48.995 -9.757 -28.002) 57.269 6.789 ( -2.395 0.084 0.730) 2.506 6.828 ( -2.037 -0.346 -0.938) 2.270 7.355 ( -2.076 -16.622 17.880) 24.501 7.438 ( 1.867 -4.546 7.414) 8.895 7.585 ( -1.766 -2.379 3.095) 4.285 7.805 ( -1.258 -0.846 -0.510) 1.600 7.867 ( -5.236 -1.798 0.132) 5.537 7.930 ( -0.546 -5.280 0.348) 5.320 7.985 ( 1.376 -3.266 -0.058) 3.545 8.335 ( 3.507 3.031 -2.226) 5.142 8.448 ( 0.239 -5.493 11.395) 12.652 8.938 ( 0.572 -0.289 2.023) 2.122 9.176 ( 3.304 3.326 -3.421) 5.804 9.444 ( 6.038 4.837 -3.550) 8.512 9.675 ( 12.517 -4.358 10.954) 17.195 10.216 ( 3.150 0.004 -0.699) 3.227 ======================= Grid point 246 (89/171) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -0.000 16.939 4.290) 17.474 0.616 ( -0.000 10.684 13.894) 17.527 0.808 ( -0.000 11.210 7.992) 13.767 0.981 ( -0.000 0.019 -0.902) 0.902 1.211 ( 0.000 -6.039 -1.754) 6.289 1.257 ( -0.000 0.240 4.474) 4.480 1.409 ( -0.000 0.100 6.416) 6.417 1.621 ( 0.000 -0.278 37.616) 37.617 2.058 ( -0.000 2.974 -5.414) 6.177 2.093 ( -0.000 1.258 -6.487) 6.607 2.442 ( -0.000 0.632 -12.445) 12.461 2.514 ( -0.000 0.295 1.383) 1.414 2.623 ( 0.000 -0.038 -1.191) 1.192 3.017 ( -0.000 0.823 13.544) 13.569 3.459 ( -0.000 0.570 -4.841) 4.875 3.597 ( 0.000 -0.912 -4.514) 4.606 3.902 ( 0.000 -13.058 20.369) 24.196 4.242 ( -0.000 1.116 1.654) 1.995 4.254 ( 0.000 -0.706 1.409) 1.576 5.282 ( -0.000 1.979 -18.298) 18.405 6.757 ( -0.000 0.562 0.125) 0.576 6.815 ( 0.000 -0.508 -1.107) 1.218 7.418 ( 0.000 -10.003 10.226) 14.305 7.503 ( 0.000 -16.084 19.530) 25.300 7.576 ( 0.000 -3.328 6.806) 7.576 7.776 ( 0.000 -0.877 0.516) 1.018 7.819 ( 0.000 -0.297 -0.400) 0.498 7.951 ( 0.000 -4.339 -0.395) 4.357 8.037 ( 0.000 -4.966 -1.216) 5.113 8.350 ( -0.000 3.512 -6.032) 6.980 8.487 ( 0.000 -8.305 14.679) 16.865 8.946 ( 0.000 -0.162 2.373) 2.378 9.191 ( -0.000 4.226 -3.405) 5.427 9.479 ( -0.000 4.616 -3.202) 5.618 9.886 ( 0.000 -11.933 7.582) 14.138 10.255 ( 0.000 -0.217 0.119) 0.247 ======================= Grid point 251 (90/171) ======================= q-point: ( 0.21 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 0.684 0.000 0.329) 0.759 0.777 ( -2.554 -0.000 -0.048) 2.554 1.271 ( -0.437 -0.000 0.313) 0.537 1.310 ( -1.029 -0.000 -0.550) 1.167 1.706 ( 3.336 0.000 0.026) 3.337 1.719 ( 2.416 0.000 -0.818) 2.551 2.277 ( -4.778 -0.000 3.758) 6.078 2.584 ( -7.034 -0.000 -3.891) 8.039 2.731 ( 0.315 0.000 4.143) 4.155 2.757 ( -3.424 -0.000 -0.269) 3.435 2.885 ( 3.527 0.000 34.438) 34.618 3.118 ( -0.838 -0.000 0.893) 1.225 3.254 ( -2.621 -0.000 2.295) 3.483 3.313 ( 3.666 0.000 -2.192) 4.271 3.472 ( 1.078 0.000 -0.188) 1.094 5.101 ( 10.965 0.000 -0.098) 10.965 5.180 ( 8.569 0.000 -0.104) 8.569 5.199 ( 0.972 0.000 -16.151) 16.180 6.642 ( -4.601 -0.000 -0.868) 4.682 6.694 ( 0.905 0.000 1.120) 1.440 6.910 ( -1.190 -0.000 -0.492) 1.288 6.984 ( 0.732 0.000 -2.088) 2.213 7.204 ( 0.546 0.000 4.516) 4.549 7.491 ( 1.889 0.000 -0.563) 1.971 7.682 ( 3.086 0.000 10.322) 10.773 7.811 ( -1.644 -0.000 6.786) 6.982 7.979 ( 0.571 0.000 -4.149) 4.188 8.139 ( 6.368 0.000 2.021) 6.681 8.234 ( -0.671 -0.000 1.610) 1.744 8.593 ( -1.637 -0.000 -8.112) 8.276 8.897 ( 0.152 0.000 4.415) 4.417 8.978 ( 1.038 0.000 1.807) 2.084 9.009 ( 1.303 0.000 -0.112) 1.308 9.053 ( 3.425 0.000 -1.257) 3.648 9.079 ( 0.620 0.000 7.613) 7.638 10.102 ( 1.231 0.000 -5.549) 5.683 ======================= Grid point 252 (91/171) ======================= q-point: ( 0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -0.966 0.093 0.828) 1.276 0.789 ( 2.421 -0.094 -0.265) 2.438 1.263 ( -0.350 0.587 0.121) 0.694 1.279 ( -1.615 -0.526 -0.204) 1.711 1.705 ( -2.666 2.796 1.008) 3.992 1.750 ( -0.869 -2.775 -0.578) 2.965 2.217 ( 1.626 0.022 3.854) 4.183 2.481 ( -0.606 -0.031 -1.864) 1.960 2.735 ( -0.113 -0.011 -0.686) 0.695 2.745 ( -0.598 0.004 -0.613) 0.857 2.921 ( -0.086 -0.026 39.064) 39.064 3.107 ( -0.501 -0.009 2.824) 2.869 3.225 ( -0.013 0.058 1.505) 1.507 3.349 ( -0.185 -0.002 -2.606) 2.612 3.482 ( 0.174 0.004 -3.039) 3.044 5.196 ( -1.612 0.535 -12.391) 12.507 5.207 ( 0.483 0.255 -3.115) 3.163 5.253 ( -0.875 -0.763 -0.619) 1.316 6.559 ( -3.223 -0.076 -0.762) 3.313 6.696 ( -0.550 -0.001 -0.721) 0.907 6.938 ( 3.354 0.010 -0.398) 3.377 7.007 ( 1.316 -0.052 -1.744) 2.185 7.211 ( -0.003 0.129 5.096) 5.098 7.516 ( 0.491 -0.919 0.236) 1.068 7.723 ( 0.891 0.323 11.504) 11.543 7.767 ( -2.803 1.025 6.592) 7.236 7.970 ( -0.598 -0.604 -3.861) 3.953 8.196 ( -1.036 -0.076 1.051) 1.477 8.240 ( 1.137 0.424 1.769) 2.145 8.562 ( -1.371 -0.111 -7.840) 7.960 8.874 ( -1.480 -0.124 5.633) 5.826 9.021 ( 1.396 -0.110 -0.134) 1.407 9.025 ( 0.471 -0.002 -0.237) 0.527 9.090 ( 0.987 0.534 6.121) 6.223 9.096 ( 0.669 -0.399 0.591) 0.978 10.117 ( 0.272 0.000 -5.705) 5.711 ======================= Grid point 253 (92/171) ======================= q-point: (-0.64 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.454 -0.053 1.499) 1.567 0.842 ( 2.679 0.488 -0.837) 2.849 1.248 ( -0.554 0.193 0.288) 0.654 1.271 ( -0.040 -0.836 -0.413) 0.933 1.592 ( -7.345 -0.065 2.594) 7.790 1.714 ( -3.663 -1.071 -0.927) 3.928 2.316 ( 5.122 0.424 3.560) 6.252 2.581 ( 9.230 -0.167 -1.797) 9.404 2.696 ( -3.564 -0.134 1.359) 3.816 2.761 ( 4.529 -0.228 -1.450) 4.761 2.882 ( -3.893 -0.053 35.618) 35.830 3.103 ( 0.277 -0.134 0.293) 0.425 3.251 ( 2.352 0.036 3.044) 3.847 3.310 ( -3.465 -0.054 -2.713) 4.401 3.476 ( -1.139 0.044 -0.290) 1.176 5.077 ( -11.465 -0.188 -0.657) 11.485 5.145 ( -7.907 1.114 -2.460) 8.356 5.196 ( -3.120 -1.516 -13.217) 13.665 6.536 ( 0.690 -1.067 -0.401) 1.333 6.677 ( -1.365 -0.172 -0.403) 1.433 7.017 ( 4.539 1.031 -1.303) 4.834 7.027 ( 0.812 0.369 -0.739) 1.158 7.206 ( 0.042 0.443 5.609) 5.626 7.527 ( -0.017 -1.923 0.146) 1.928 7.691 ( -3.650 1.963 0.400) 4.163 7.720 ( -1.046 -0.072 16.065) 16.099 7.969 ( -0.511 -0.957 -4.956) 5.073 8.125 ( -6.173 -0.213 0.947) 6.249 8.247 ( 0.276 0.669 2.587) 2.686 8.536 ( -1.890 -0.824 -5.635) 6.000 8.854 ( -0.751 -0.392 3.885) 3.977 9.016 ( -1.411 0.435 -0.306) 1.508 9.026 ( -0.541 0.075 -0.413) 0.685 9.078 ( -1.889 0.246 -1.080) 2.190 9.108 ( -0.060 0.169 8.390) 8.392 10.110 ( -0.982 0.084 -5.633) 5.719 ======================= Grid point 254 (93/171) ======================= q-point: (-0.57 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 1.247 0.000 1.607) 2.034 0.881 ( 1.639 0.621 -1.117) 2.078 1.242 ( -0.329 -0.673 0.206) 0.776 1.274 ( -0.455 -0.403 -0.803) 1.007 1.441 ( -8.527 -3.254 3.023) 9.614 1.625 ( -5.704 -0.191 -1.560) 5.917 2.315 ( -4.430 0.434 2.812) 5.265 2.548 ( -8.532 -0.321 2.046) 8.780 2.759 ( -5.585 0.151 25.671) 26.272 2.861 ( 11.462 -0.643 3.414) 11.977 2.925 ( 8.605 0.484 -1.483) 8.745 3.137 ( 4.438 -0.300 -2.741) 5.225 3.225 ( -5.024 0.120 -0.715) 5.076 3.307 ( 3.293 -0.100 3.543) 4.838 3.431 ( -3.371 -0.036 5.674) 6.600 4.750 ( -22.142 -0.398 1.198) 22.178 4.886 ( -18.272 0.077 -0.815) 18.290 5.153 ( -1.927 -0.495 -17.312) 17.426 6.596 ( 4.404 -1.991 -0.248) 4.839 6.647 ( -1.815 -0.355 2.232) 2.898 7.035 ( 0.289 0.893 -0.162) 0.953 7.088 ( 2.997 0.966 -1.795) 3.624 7.232 ( 3.675 1.787 4.750) 6.266 7.532 ( -0.601 -1.067 -1.719) 2.111 7.605 ( -4.172 1.077 2.049) 4.771 7.720 ( 1.662 -0.971 11.897) 12.052 7.830 ( -16.001 0.005 -1.249) 16.049 8.074 ( 2.196 -0.689 -2.410) 3.332 8.246 ( -0.403 0.417 2.512) 2.578 8.482 ( -4.705 -2.148 -1.434) 5.367 8.829 ( -4.193 -0.449 -0.259) 4.225 8.957 ( -3.120 1.238 0.654) 3.420 8.999 ( -2.022 0.222 -0.606) 2.122 9.039 ( -1.868 -0.673 -1.171) 2.306 9.109 ( 1.611 0.379 9.747) 9.887 10.084 ( -1.402 0.125 -5.351) 5.533 ======================= Grid point 255 (94/171) ======================= q-point: (-0.50 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 1.303 0.293 1.310) 1.870 0.903 ( 0.886 -0.251 -1.128) 1.456 1.204 ( -7.567 0.288 2.120) 7.864 1.241 ( -0.164 -0.970 -0.138) 0.993 1.346 ( -2.670 -4.889 -0.351) 5.582 1.498 ( -7.232 -0.121 -1.992) 7.503 2.191 ( -7.354 0.093 2.147) 7.662 2.343 ( -12.704 -0.528 9.126) 15.651 2.619 ( -7.321 -0.308 16.872) 18.395 2.973 ( -1.898 0.839 -3.561) 4.122 3.007 ( -2.801 0.252 -0.133) 2.816 3.154 ( 1.333 0.338 2.892) 3.202 3.287 ( 7.837 0.276 -0.991) 7.904 3.356 ( -2.463 -0.014 11.767) 12.022 3.385 ( 3.510 0.038 2.360) 4.229 4.238 ( -30.067 -0.346 2.028) 30.137 4.433 ( -27.862 0.779 -1.045) 27.893 5.132 ( -0.307 -0.109 -18.405) 18.408 6.603 ( -2.699 -0.206 4.466) 5.223 6.712 ( 4.996 -2.375 -1.133) 5.647 7.025 ( -1.285 1.288 0.117) 1.823 7.097 ( -5.481 -0.571 -0.634) 5.547 7.326 ( 5.288 2.284 1.034) 5.852 7.425 ( -18.600 0.785 2.684) 18.809 7.492 ( -4.981 0.703 0.189) 5.034 7.547 ( -0.801 -1.136 -2.188) 2.592 7.807 ( 5.833 -2.139 8.155) 10.252 8.136 ( 2.109 0.705 -3.187) 3.886 8.219 ( -1.906 0.041 1.649) 2.521 8.381 ( -6.508 -3.360 2.338) 7.688 8.618 ( -16.231 -2.249 2.771) 16.619 8.953 ( -0.377 0.594 -1.546) 1.698 8.966 ( 1.820 0.678 -0.588) 2.029 9.035 ( 2.124 -0.235 -0.984) 2.353 9.175 ( 4.982 0.003 9.204) 10.466 10.067 ( -0.046 0.067 -4.774) 4.775 ======================= Grid point 256 (95/171) ======================= q-point: (-0.43 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 0.687 0.730 0.910) 1.354 0.921 ( 0.345 -1.740 -1.119) 2.097 1.032 ( -8.369 1.267 4.185) 9.442 1.247 ( 0.116 -1.058 -0.517) 1.183 1.327 ( -3.140 -1.527 -2.919) 4.551 1.354 ( -6.645 -0.925 -1.571) 6.891 2.040 ( -9.896 -0.376 5.041) 11.112 2.080 ( -12.045 -0.741 13.156) 17.853 2.492 ( -6.322 -0.887 10.745) 12.499 2.816 ( -13.369 1.383 -0.596) 13.453 2.887 ( -6.048 0.821 -4.708) 7.708 3.166 ( -2.348 0.935 7.594) 8.003 3.309 ( -1.702 0.476 15.740) 15.838 3.415 ( 4.871 -0.304 -1.026) 4.987 3.441 ( 0.531 1.409 -2.255) 2.712 3.622 ( -31.276 -0.255 2.504) 31.378 3.825 ( -32.303 2.043 0.571) 32.373 5.143 ( 1.469 0.573 -19.467) 19.531 6.500 ( -31.308 -0.621 0.698) 31.322 6.521 ( -16.941 -0.831 -0.213) 16.963 6.853 ( 0.193 -0.971 1.451) 1.756 6.981 ( -4.313 1.024 -1.260) 4.609 7.291 ( 2.081 -0.623 2.116) 3.032 7.344 ( -7.602 -3.130 2.936) 8.730 7.514 ( 7.985 -0.309 -1.156) 8.074 7.565 ( 1.844 -0.877 -6.831) 7.130 7.921 ( 2.187 -3.161 3.558) 5.238 8.081 ( -6.061 -0.686 2.463) 6.578 8.178 ( -3.583 0.159 7.784) 8.570 8.266 ( -8.761 0.449 -1.361) 8.877 8.374 ( -4.310 -6.191 6.610) 10.030 8.930 ( -0.813 -0.045 -0.284) 0.863 9.040 ( 4.956 1.415 -2.725) 5.830 9.142 ( 8.977 1.430 -2.272) 9.370 9.291 ( 6.557 -0.613 9.642) 11.676 10.088 ( 2.221 -0.005 -3.739) 4.348 ======================= Grid point 257 (96/171) ======================= q-point: (-0.36 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -1.190 2.072 0.833) 2.530 0.854 ( -4.379 6.326 3.854) 8.605 0.978 ( 1.451 -3.768 0.877) 4.132 1.182 ( -7.863 -0.129 -0.916) 7.917 1.252 ( -1.680 0.533 -2.576) 3.121 1.293 ( -2.181 1.215 -1.541) 2.934 1.774 ( -13.523 -0.195 20.994) 24.973 1.967 ( -3.349 -2.454 1.556) 4.434 2.323 ( -14.876 1.915 18.158) 23.551 2.541 ( -10.705 0.724 -8.200) 13.504 2.728 ( -11.307 0.918 -6.805) 13.229 2.969 ( -24.865 0.600 3.514) 25.120 3.075 ( -19.750 0.485 6.131) 20.685 3.125 ( -11.296 1.933 4.695) 12.384 3.396 ( -3.270 1.763 18.849) 19.212 3.470 ( -0.262 1.217 -2.006) 2.361 3.501 ( 3.669 -0.413 -3.007) 4.762 5.157 ( -2.163 1.554 -20.606) 20.778 5.612 ( -46.062 -1.485 4.212) 46.278 6.174 ( -31.974 -5.819 -17.640) 36.978 6.833 ( -3.375 -0.451 1.770) 3.838 6.889 ( -3.560 -0.109 -1.452) 3.847 7.227 ( -6.982 -10.440 13.811) 18.668 7.356 ( 3.246 -1.088 2.589) 4.293 7.580 ( -0.087 -1.102 -2.680) 2.898 7.694 ( 7.458 -3.021 -3.912) 8.947 7.892 ( -3.684 -4.171 4.182) 6.961 7.958 ( -6.985 -1.660 1.136) 7.269 8.039 ( -7.682 -0.713 3.634) 8.528 8.266 ( 6.188 1.602 7.562) 9.902 8.387 ( 0.568 -2.652 3.400) 4.350 8.925 ( 0.129 -0.259 0.688) 0.746 9.131 ( 4.889 1.674 -2.844) 5.898 9.340 ( 11.400 3.640 -4.239) 12.696 9.435 ( 8.029 -1.597 10.519) 13.329 10.147 ( 3.582 -0.083 -2.260) 4.236 ======================= Grid point 258 (97/171) ======================= q-point: (-0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.607 11.547 3.917) 12.208 0.785 ( -0.866 6.022 5.461) 8.176 1.032 ( -2.292 -1.862 -0.546) 3.003 1.058 ( -1.672 -3.990 -1.420) 4.553 1.149 ( -4.563 8.395 0.762) 9.586 1.273 ( -0.542 0.800 -0.500) 1.088 1.562 ( -8.933 -0.771 18.739) 20.774 1.812 ( -19.740 2.714 20.413) 28.526 2.039 ( 0.219 0.897 4.406) 4.502 2.340 ( -19.404 1.190 -6.210) 20.408 2.452 ( -3.040 -0.497 -10.628) 11.066 2.663 ( -13.133 0.438 0.317) 13.144 2.693 ( -8.296 0.257 -0.600) 8.322 3.041 ( -1.492 1.699 13.879) 14.062 3.432 ( 7.460 0.417 25.700) 26.764 3.465 ( 0.320 0.852 -3.230) 3.355 3.564 ( 2.554 -0.670 -4.582) 5.288 4.638 ( -36.600 -0.904 0.259) 36.612 5.177 ( -31.847 -5.926 -18.596) 37.352 5.390 ( -30.048 -7.010 -19.317) 36.403 6.789 ( -1.507 -0.007 1.781) 2.333 6.824 ( -2.632 -0.281 -0.844) 2.778 7.177 ( -4.946 -15.288 27.110) 31.514 7.415 ( 2.022 -1.418 3.549) 4.324 7.569 ( -1.076 -1.141 2.197) 2.699 7.792 ( -0.665 -1.776 -0.891) 2.095 7.850 ( -4.121 -1.520 -0.206) 4.397 7.877 ( -0.206 -4.861 -0.977) 4.963 7.963 ( 0.015 -1.421 1.138) 1.820 8.361 ( 3.274 2.055 -1.552) 4.166 8.412 ( 1.129 -1.972 10.739) 10.977 8.934 ( 0.478 -0.473 1.726) 1.853 9.202 ( 3.124 1.902 -2.405) 4.377 9.486 ( 5.254 3.114 0.143) 6.109 9.638 ( 10.581 -2.676 4.796) 11.922 10.215 ( 2.943 -0.291 -0.655) 3.029 ======================= Grid point 259 (98/171) ======================= q-point: (-0.21 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -0.000 9.779 4.664) 10.834 0.731 ( -0.000 11.320 9.503) 14.780 0.957 ( -0.000 15.830 -0.063) 15.831 0.982 ( -0.000 0.050 -0.589) 0.591 1.144 ( 0.000 -5.864 1.894) 6.162 1.266 ( -0.000 1.472 2.384) 2.802 1.410 ( -0.000 0.006 7.125) 7.125 1.619 ( 0.000 -0.116 38.209) 38.209 2.083 ( -0.000 1.545 -7.394) 7.553 2.108 ( -0.000 1.560 -6.379) 6.567 2.446 ( -0.000 0.076 -12.906) 12.906 2.517 ( -0.000 0.376 1.342) 1.394 2.622 ( 0.000 -0.058 -1.145) 1.146 3.027 ( -0.000 1.142 13.773) 13.821 3.465 ( -0.000 0.540 -4.842) 4.872 3.586 ( 0.000 -1.212 -3.034) 3.267 3.772 ( 0.000 -11.698 25.766) 28.297 4.245 ( 0.000 -0.876 1.621) 1.843 4.255 ( -0.000 1.399 1.407) 1.985 5.301 ( -0.000 1.705 -18.175) 18.255 6.763 ( -0.000 0.734 -0.035) 0.735 6.809 ( 0.000 -0.635 -0.993) 1.179 7.215 ( 0.000 -20.167 35.159) 40.532 7.444 ( 0.000 -1.891 4.889) 5.242 7.563 ( 0.000 -0.892 3.243) 3.363 7.767 ( 0.000 -1.000 0.551) 1.141 7.814 ( 0.000 -0.495 -0.494) 0.699 7.908 ( 0.000 -4.656 -2.096) 5.105 7.992 ( 0.000 -3.427 -0.805) 3.520 8.377 ( -0.000 1.593 -6.245) 6.445 8.438 ( 0.000 -1.900 14.274) 14.400 8.942 ( 0.000 -0.514 2.277) 2.334 9.223 ( -0.000 2.303 -2.446) 3.360 9.521 ( -0.000 3.385 0.159) 3.388 9.790 ( 0.000 -6.975 3.442) 7.778 10.250 ( 0.000 -0.622 0.186) 0.649 ======================= Grid point 266 (99/171) ======================= q-point: (-0.71 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.444 0.000 1.541) 1.603 0.844 ( 2.754 0.000 -0.856) 2.884 1.249 ( -0.973 -0.000 0.246) 1.004 1.266 ( 0.201 0.000 -0.361) 0.413 1.592 ( -8.200 -0.000 2.632) 8.612 1.708 ( -3.108 -0.000 -0.834) 3.218 2.319 ( 5.162 0.000 3.549) 6.264 2.580 ( 9.311 0.000 -1.722) 9.469 2.695 ( -3.764 -0.000 1.361) 4.002 2.760 ( 4.599 0.000 -1.600) 4.869 2.882 ( -3.894 -0.000 35.668) 35.879 3.102 ( 0.257 0.000 0.267) 0.371 3.251 ( 2.328 0.000 3.075) 3.857 3.309 ( -3.469 -0.000 -2.757) 4.432 3.476 ( -1.142 -0.000 -0.299) 1.181 5.076 ( -11.546 -0.000 -0.542) 11.559 5.152 ( -9.215 -0.000 -0.132) 9.216 5.186 ( -1.835 -0.000 -15.657) 15.764 6.530 ( 0.520 0.000 -0.376) 0.642 6.676 ( -1.393 -0.000 -0.484) 1.475 7.022 ( 4.680 0.000 -1.433) 4.895 7.029 ( 0.912 0.000 -0.708) 1.155 7.209 ( 0.195 0.000 5.757) 5.761 7.516 ( -0.001 -0.000 0.559) 0.559 7.701 ( -3.941 -0.000 0.923) 4.048 7.720 ( -1.007 -0.000 15.173) 15.206 7.964 ( -0.360 -0.000 -4.948) 4.961 8.124 ( -6.228 -0.000 0.915) 6.295 8.251 ( 0.202 0.000 2.497) 2.505 8.532 ( -2.084 -0.000 -5.413) 5.800 8.852 ( -0.720 -0.000 3.824) 3.891 9.018 ( -1.220 -0.000 -0.203) 1.237 9.026 ( -0.523 -0.000 -0.523) 0.740 9.079 ( -2.080 -0.000 -1.644) 2.651 9.109 ( 0.019 0.000 8.886) 8.886 10.111 ( -0.969 -0.000 -5.637) 5.720 ======================= Grid point 268 (100/171) ======================= q-point: (-0.64 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 1.310 0.000 1.673) 2.125 0.885 ( 1.450 0.219 -1.144) 1.860 1.237 ( -0.495 -0.268 0.293) 0.635 1.271 ( 0.178 -0.104 -0.944) 0.966 1.418 ( -9.631 -1.208 3.570) 10.342 1.623 ( -5.542 -0.072 -1.661) 5.786 2.318 ( -4.549 0.165 2.777) 5.332 2.546 ( -8.683 -0.125 2.204) 8.959 2.760 ( -5.701 0.050 25.764) 26.387 2.857 ( 11.704 -0.232 3.317) 12.167 2.929 ( 8.913 0.166 -1.584) 9.054 3.135 ( 4.473 -0.106 -2.795) 5.276 3.226 ( -4.942 0.042 -0.733) 4.996 3.306 ( 3.311 -0.037 3.568) 4.868 3.431 ( -3.439 -0.014 5.599) 6.571 4.747 ( -22.125 -0.142 1.210) 22.159 4.887 ( -18.260 0.056 -0.807) 18.278 5.150 ( -1.717 -0.198 -17.365) 17.451 6.582 ( 4.439 -0.720 -0.174) 4.501 6.644 ( -1.896 -0.122 2.077) 2.814 7.041 ( 0.388 0.332 -0.099) 0.520 7.094 ( 2.321 0.251 -1.500) 2.774 7.247 ( 4.356 0.884 4.436) 6.280 7.520 ( 0.087 -0.768 -0.752) 1.078 7.615 ( -4.742 0.589 1.314) 4.956 7.714 ( 1.211 -0.268 11.855) 11.920 7.830 ( -15.807 -0.018 -1.391) 15.869 8.069 ( 2.487 -0.273 -2.423) 3.483 8.249 ( -0.607 0.175 2.356) 2.439 8.467 ( -5.031 -0.793 -0.679) 5.138 8.826 ( -4.211 -0.127 -0.487) 4.241 8.966 ( -3.189 0.547 0.893) 3.356 9.001 ( -2.032 0.064 -0.748) 2.167 9.033 ( -2.010 -0.365 -1.329) 2.437 9.111 ( 1.525 0.132 9.667) 9.787 10.085 ( -1.421 0.045 -5.366) 5.552 ======================= Grid point 269 (101/171) ======================= q-point: (-0.57 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 1.404 0.127 1.187) 1.843 0.901 ( 0.313 -0.156 -1.089) 1.143 1.212 ( -7.472 1.105 2.996) 8.126 1.234 ( -0.643 -0.307 0.016) 0.713 1.300 ( -1.399 -3.883 -0.709) 4.188 1.497 ( -7.332 -0.104 -2.283) 7.679 2.192 ( -7.582 0.054 2.140) 7.878 2.339 ( -12.648 -0.324 8.704) 15.357 2.616 ( -7.601 -0.190 17.478) 19.060 2.980 ( -2.004 0.458 -3.576) 4.124 3.009 ( -2.122 0.135 -0.011) 2.126 3.157 ( 1.287 0.203 2.837) 3.122 3.289 ( 8.171 0.177 -1.085) 8.245 3.356 ( -3.164 0.035 12.947) 13.328 3.385 ( 4.407 -0.036 1.102) 4.543 4.235 ( -29.990 -0.196 2.083) 30.063 4.440 ( -27.409 0.468 -1.178) 27.438 5.131 ( -0.094 -0.061 -18.397) 18.398 6.601 ( -2.695 -0.093 4.353) 5.120 6.692 ( 5.281 -1.392 -1.040) 5.560 7.036 ( -0.995 0.909 0.010) 1.347 7.091 ( -6.093 -0.553 -0.102) 6.119 7.347 ( 3.306 1.529 0.421) 3.666 7.434 ( -17.302 0.770 3.003) 17.577 7.497 ( -6.217 0.209 0.152) 6.223 7.536 ( -0.233 -0.926 -2.317) 2.506 7.789 ( 5.629 -1.287 8.227) 10.051 8.143 ( 2.688 0.643 -3.536) 4.488 8.220 ( -1.366 0.157 1.304) 1.895 8.351 ( -7.105 -2.340 4.939) 8.963 8.602 ( -17.282 -0.945 1.902) 17.412 8.958 ( -1.673 0.246 -1.065) 1.998 8.973 ( 2.974 0.487 -0.807) 3.120 9.032 ( 2.573 -0.269 -1.134) 2.824 9.175 ( 4.756 -0.017 9.019) 10.196 10.067 ( -0.084 0.038 -4.788) 4.789 ======================= Grid point 270 (102/171) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.866 0.400 0.317) 1.005 0.905 ( -0.184 -1.410 -0.859) 1.661 1.054 ( -6.400 2.630 4.214) 8.102 1.238 ( 0.325 -0.692 -0.417) 0.871 1.307 ( -0.576 -2.326 -2.745) 3.644 1.346 ( -8.008 -0.557 -2.045) 8.284 2.037 ( -9.122 -0.086 3.720) 9.851 2.072 ( -13.340 -0.786 14.070) 19.405 2.483 ( -6.401 -0.715 11.317) 13.022 2.828 ( -13.015 0.949 -0.416) 13.056 2.894 ( -6.075 0.563 -4.590) 7.635 3.175 ( -1.932 0.733 7.884) 8.151 3.314 ( -1.445 0.447 15.772) 15.844 3.412 ( 4.716 -0.269 -1.142) 4.860 3.454 ( 0.868 1.000 -2.596) 2.914 3.619 ( -31.324 -0.261 2.598) 31.432 3.843 ( -31.856 1.509 0.493) 31.895 5.149 ( 1.866 0.415 -19.398) 19.492 6.495 ( -35.891 -0.404 0.154) 35.893 6.513 ( -12.718 -0.660 -0.232) 12.737 6.845 ( 0.610 -0.634 1.808) 2.011 6.990 ( -4.724 0.697 -1.473) 4.997 7.286 ( 1.841 -0.436 2.190) 2.894 7.315 ( -11.506 -2.427 3.474) 12.261 7.510 ( 7.361 -0.280 -1.518) 7.521 7.558 ( 1.541 -0.498 -6.690) 6.883 7.891 ( 1.265 -2.538 3.992) 4.897 8.078 ( -6.576 -0.142 1.781) 6.814 8.181 ( -5.527 0.376 15.243) 16.219 8.271 ( -8.233 0.403 -1.370) 8.356 8.322 ( -0.756 -3.918 2.145) 4.530 8.930 ( -0.905 -0.010 -0.560) 1.065 9.052 ( 4.928 0.816 -2.228) 5.469 9.153 ( 9.821 0.812 -2.365) 10.134 9.286 ( 6.270 -0.422 9.303) 11.227 10.087 ( 2.187 -0.006 -3.720) 4.315 ======================= Grid point 271 (103/171) ======================= q-point: (-0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.743 1.908 -0.315) 2.072 0.902 ( -1.022 0.787 0.387) 1.347 0.962 ( -0.648 2.818 3.634) 4.644 1.180 ( -7.946 -0.139 -1.321) 8.056 1.252 ( 0.157 -0.250 -1.626) 1.653 1.303 ( -0.969 0.558 -2.196) 2.465 1.774 ( -13.710 0.101 20.833) 24.939 1.940 ( -4.015 -2.574 2.087) 5.206 2.336 ( -11.904 0.753 16.976) 20.747 2.551 ( -12.111 1.055 -6.973) 14.015 2.736 ( -11.189 0.762 -6.558) 12.992 2.977 ( -25.952 0.804 3.215) 26.163 3.079 ( -18.471 0.408 6.562) 19.606 3.142 ( -11.124 1.454 4.333) 12.026 3.414 ( -3.989 1.598 19.458) 19.927 3.480 ( 0.030 0.704 -2.905) 2.989 3.498 ( 3.163 -0.203 -2.557) 4.072 5.172 ( -1.811 1.386 -20.292) 20.420 5.598 ( -46.140 -1.161 3.842) 46.314 6.114 ( -37.396 -5.454 -16.983) 41.433 6.832 ( -3.876 0.151 2.979) 4.891 6.884 ( -3.290 -0.748 -1.093) 3.547 7.136 ( -8.017 -7.127 16.061) 19.314 7.346 ( 3.176 -0.782 2.473) 4.101 7.571 ( -0.294 -0.563 -2.863) 2.932 7.663 ( 6.446 -2.946 -3.834) 8.058 7.859 ( -2.403 -2.393 4.962) 6.011 7.943 ( -7.238 -1.200 0.878) 7.389 8.033 ( -7.365 -0.499 4.656) 8.727 8.281 ( 6.410 1.231 10.833) 12.648 8.368 ( 1.465 -1.305 0.137) 1.967 8.922 ( 0.016 -0.199 0.256) 0.325 9.144 ( 4.813 1.003 -2.139) 5.362 9.372 ( 11.654 2.450 -3.606) 12.442 9.420 ( 7.716 -1.236 9.088) 11.985 10.146 ( 3.505 -0.099 -2.225) 4.152 ======================= Grid point 272 (104/171) ======================= q-point: (-0.36 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 1.054 4.933 1.168) 5.178 0.866 ( 0.878 8.875 3.490) 9.577 0.985 ( 1.052 -4.853 1.007) 5.067 1.043 ( -5.633 -0.203 -0.555) 5.664 1.225 ( -1.426 5.549 -0.191) 5.733 1.288 ( 0.522 2.438 -0.943) 2.666 1.553 ( -9.046 -0.923 20.744) 22.649 1.840 ( -15.161 2.637 12.851) 20.049 2.047 ( -3.533 0.566 9.682) 10.322 2.353 ( -19.166 1.348 -6.029) 20.137 2.444 ( -3.173 -1.013 -10.550) 11.063 2.668 ( -12.924 0.640 0.150) 12.941 2.695 ( -8.832 0.073 -0.649) 8.856 3.058 ( -1.737 1.606 13.394) 13.601 3.435 ( 5.777 0.294 26.256) 26.885 3.472 ( -0.015 0.601 -3.186) 3.242 3.557 ( 2.401 -0.685 -4.666) 5.292 4.629 ( -36.878 -0.856 0.742) 36.895 5.106 ( -49.875 -7.228 -14.802) 52.525 5.340 ( -10.026 -2.969 -16.378) 19.431 6.788 ( -0.683 -0.211 3.377) 3.452 6.822 ( -3.155 -0.055 -0.851) 3.268 7.052 ( -5.252 -9.187 25.638) 27.736 7.403 ( 2.008 -0.997 3.051) 3.786 7.559 ( -0.854 -0.739 1.978) 2.278 7.768 ( 1.316 -2.940 -2.091) 3.840 7.833 ( -3.538 -2.166 -0.572) 4.187 7.839 ( -1.799 -1.903 -0.165) 2.623 7.952 ( -0.695 -0.820 1.469) 1.820 8.375 ( 1.628 0.585 -3.718) 4.100 8.403 ( 3.173 0.141 13.945) 14.302 8.929 ( 0.361 -0.475 1.233) 1.370 9.218 ( 3.059 1.196 -1.513) 3.616 9.507 ( 4.478 0.922 5.732) 7.332 9.621 ( 9.755 -0.659 -1.728) 9.929 10.211 ( 2.746 -0.335 -0.705) 2.855 ======================= Grid point 273 (105/171) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -0.000 6.133 4.406) 7.552 0.842 ( -0.000 9.985 5.779) 11.537 0.982 ( -0.000 0.090 -0.252) 0.267 1.024 ( 0.000 -4.794 -3.359) 5.853 1.169 ( -0.000 11.056 3.947) 11.739 1.293 ( -0.000 4.524 -0.564) 4.559 1.409 ( 0.000 -0.169 8.145) 8.147 1.625 ( -0.000 1.852 37.798) 37.843 2.087 ( 0.000 -0.813 -6.657) 6.706 2.124 ( -0.000 1.551 -6.261) 6.451 2.442 ( 0.000 -0.882 -12.848) 12.878 2.521 ( -0.000 0.385 1.293) 1.350 2.622 ( 0.000 -0.072 -1.089) 1.091 3.039 ( -0.000 1.238 13.756) 13.812 3.470 ( -0.000 0.339 -4.811) 4.823 3.572 ( 0.000 -1.439 0.901) 1.698 3.668 ( 0.000 -8.365 25.282) 26.630 4.236 ( 0.000 -0.886 1.865) 2.065 4.270 ( -0.000 1.423 1.122) 1.812 5.316 ( -0.000 1.284 -18.075) 18.121 6.771 ( -0.000 0.773 -0.218) 0.803 6.802 ( 0.000 -0.636 -0.864) 1.073 7.048 ( 0.000 -12.409 34.005) 36.198 7.429 ( 0.000 -1.179 3.614) 3.802 7.554 ( 0.000 -0.746 3.070) 3.159 7.756 ( 0.000 -0.929 0.567) 1.089 7.809 ( 0.000 -0.602 -0.573) 0.831 7.856 ( 0.000 -5.130 -2.912) 5.899 7.966 ( 0.000 -1.896 -0.614) 1.993 8.383 ( 0.000 -0.202 -4.806) 4.810 8.437 ( -0.000 1.074 13.679) 13.721 8.936 ( 0.000 -0.621 1.849) 1.951 9.242 ( -0.000 1.444 -1.425) 2.029 9.546 ( -0.000 1.430 4.948) 5.150 9.738 ( 0.000 -3.201 -1.882) 3.713 10.243 ( 0.000 -0.625 0.064) 0.628 ======================= Grid point 282 (106/171) ======================= q-point: (-0.64 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 1.431 0.000 1.135) 1.826 0.900 ( 0.103 0.000 -1.078) 1.082 1.219 ( -6.051 -0.000 3.145) 6.820 1.235 ( -3.344 -0.000 1.182) 3.546 1.276 ( 0.247 0.000 -1.778) 1.795 1.497 ( -7.372 -0.000 -2.384) 7.748 2.192 ( -7.668 -0.000 2.135) 7.959 2.337 ( -12.630 -0.000 8.548) 15.250 2.615 ( -7.703 -0.000 17.709) 19.311 2.982 ( -2.046 -0.000 -3.581) 4.125 3.010 ( -1.875 -0.000 0.031) 1.875 3.158 ( 1.273 0.000 2.819) 3.093 3.290 ( 8.302 0.000 -1.136) 8.379 3.357 ( -3.512 -0.000 13.547) 13.995 3.384 ( 4.819 0.000 0.489) 4.844 4.234 ( -29.966 -0.000 2.104) 30.039 4.442 ( -27.248 -0.000 -1.229) 27.275 5.130 ( -0.015 -0.000 -18.395) 18.395 6.601 ( -2.708 -0.000 4.321) 5.099 6.684 ( 5.395 0.000 -1.013) 5.489 7.041 ( -0.698 -0.000 -0.072) 0.701 7.087 ( -6.488 -0.000 0.126) 6.489 7.355 ( 2.101 0.000 0.186) 2.109 7.438 ( -16.415 -0.000 3.210) 16.726 7.498 ( -6.643 -0.000 -0.005) 6.643 7.530 ( 0.018 0.000 -2.283) 2.283 7.782 ( 5.506 0.000 8.240) 9.910 8.147 ( 2.978 0.000 -3.826) 4.848 8.221 ( -0.965 -0.000 1.114) 1.474 8.338 ( -7.639 -0.000 6.110) 9.782 8.597 ( -17.583 -0.000 1.572) 17.653 8.959 ( -1.969 -0.000 -0.949) 2.185 8.975 ( 3.200 0.000 -0.800) 3.298 9.031 ( 2.753 0.000 -1.212) 3.008 9.175 ( 4.678 0.000 8.959) 10.107 10.067 ( -0.097 -0.000 -4.793) 4.794 ======================= Grid point 284 (107/171) ======================= q-point: (-0.57 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 1.032 0.136 -0.036) 1.042 0.894 ( -0.643 -0.541 -0.751) 1.127 1.078 ( -5.008 1.487 4.227) 6.720 1.233 ( 0.450 -0.239 -0.388) 0.641 1.286 ( 0.388 -1.297 -2.642) 2.969 1.342 ( -8.374 -0.181 -2.330) 8.694 2.037 ( -8.093 0.039 2.329) 8.421 2.066 ( -14.680 -0.373 15.191) 21.128 2.478 ( -6.481 -0.272 11.750) 13.421 2.835 ( -12.815 0.335 -0.354) 12.824 2.898 ( -6.085 0.200 -4.527) 7.587 3.180 ( -1.678 0.278 8.079) 8.256 3.317 ( -1.240 0.185 15.796) 15.846 3.410 ( 4.673 -0.103 -1.220) 4.831 3.461 ( 0.973 0.357 -2.814) 2.998 3.617 ( -31.380 -0.111 2.663) 31.493 3.854 ( -31.596 0.557 0.431) 31.604 5.152 ( 2.093 0.152 -19.362) 19.476 6.492 ( -39.289 -0.136 -0.251) 39.290 6.508 ( -9.540 -0.257 -0.161) 9.545 6.841 ( 0.915 -0.215 2.013) 2.221 6.994 ( -4.984 0.246 -1.598) 5.239 7.283 ( 1.723 -0.151 2.237) 2.828 7.297 ( -13.737 -0.934 3.808) 14.286 7.509 ( 6.740 -0.077 -1.611) 6.930 7.555 ( 1.558 -0.183 -6.694) 6.875 7.872 ( 0.955 -0.950 4.428) 4.628 8.077 ( -6.973 0.005 0.605) 6.999 8.185 ( -7.457 0.238 22.740) 23.933 8.275 ( -8.996 0.297 -1.805) 9.180 8.294 ( 3.262 -1.544 -2.787) 4.560 8.930 ( -0.958 0.000 -0.701) 1.187 9.057 ( 4.891 0.269 -1.968) 5.279 9.159 ( 10.273 0.260 -2.373) 10.547 9.283 ( 6.123 -0.150 9.136) 10.999 10.087 ( 2.165 -0.002 -3.711) 4.296 ======================= Grid point 285 (108/171) ======================= q-point: (-0.50 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 1.703 1.102 -0.997) 2.260 0.887 ( -0.549 -1.827 0.053) 1.908 1.012 ( -0.558 4.675 2.991) 5.578 1.179 ( -8.034 -0.148 -1.618) 8.196 1.249 ( 0.931 -0.180 -0.800) 1.240 1.304 ( 0.802 -0.263 -2.648) 2.780 1.776 ( -13.875 0.300 21.131) 25.281 1.917 ( -4.555 -1.831 2.136) 5.354 2.340 ( -10.067 0.131 16.178) 19.054 2.561 ( -12.898 0.741 -5.988) 14.239 2.743 ( -11.088 0.433 -6.407) 12.814 2.984 ( -27.072 0.574 2.863) 27.229 3.083 ( -17.303 0.223 6.958) 18.651 3.154 ( -10.838 0.776 4.128) 11.623 3.427 ( -4.722 0.991 20.379) 20.942 3.484 ( 1.220 0.129 -4.079) 4.259 3.497 ( 1.912 0.069 -2.226) 2.935 5.184 ( -1.492 0.833 -20.067) 20.140 5.589 ( -46.119 -0.630 3.580) 46.262 6.068 ( -41.268 -3.302 -16.110) 44.424 6.836 ( -5.077 0.739 4.102) 6.569 6.874 ( -2.221 -1.222 -0.454) 2.575 7.082 ( -7.781 -3.332 15.986) 18.089 7.340 ( 3.144 -0.420 2.471) 4.021 7.568 ( -0.422 -0.158 -3.137) 3.170 7.637 ( 5.704 -1.827 -3.607) 6.991 7.841 ( -1.486 -1.092 5.225) 5.541 7.933 ( -7.411 -0.648 0.733) 7.476 8.029 ( -7.166 -0.245 5.302) 8.918 8.291 ( 6.513 0.686 13.678) 15.165 8.359 ( 1.897 -0.567 -2.496) 3.185 8.921 ( -0.072 -0.105 -0.062) 0.142 9.152 ( 4.781 0.486 -1.711) 5.101 9.391 ( 11.527 1.367 -2.263) 11.826 9.410 ( 7.781 -0.820 7.468) 10.816 10.145 ( 3.446 -0.061 -2.214) 4.096 ======================= Grid point 286 (109/171) ======================= q-point: (-0.43 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 1.083 2.500 0.915) 2.874 0.903 ( 1.468 -2.197 0.169) 2.648 0.984 ( -0.364 4.934 1.940) 5.314 1.042 ( -5.627 -0.053 -0.397) 5.641 1.261 ( 0.541 2.031 0.285) 2.121 1.321 ( 2.020 3.265 -0.939) 3.952 1.545 ( -9.620 -0.665 21.912) 23.940 1.864 ( -6.822 1.967 5.437) 8.942 2.051 ( -9.673 0.286 15.730) 18.469 2.366 ( -19.445 1.170 -5.784) 20.321 2.432 ( -3.241 -1.163 -10.539) 11.087 2.676 ( -13.066 0.723 -0.073) 13.086 2.694 ( -9.078 -0.185 -0.567) 9.098 3.072 ( -1.918 1.133 12.957) 13.147 3.438 ( 4.446 0.193 27.295) 27.656 3.477 ( -0.359 0.298 -3.662) 3.692 3.551 ( 2.224 -0.521 -4.816) 5.330 4.621 ( -37.062 -0.615 1.081) 37.083 5.040 ( -55.859 -5.144 -10.363) 57.044 5.321 ( -1.333 -1.055 -16.664) 16.750 6.785 ( -0.339 -0.311 5.092) 5.112 6.823 ( -3.247 0.128 -0.888) 3.368 6.983 ( -5.107 -4.644 22.252) 23.298 7.395 ( 2.025 -0.612 2.896) 3.587 7.554 ( -0.750 -0.335 1.982) 2.146 7.737 ( 2.708 -2.765 -3.279) 5.072 7.815 ( -4.325 -1.220 0.018) 4.494 7.827 ( -1.913 -0.821 -0.071) 2.083 7.945 ( -1.129 -0.502 1.661) 2.071 8.376 ( 0.478 -0.082 -3.747) 3.779 8.409 ( 4.547 0.724 15.325) 16.002 8.925 ( 0.249 -0.344 0.729) 0.844 9.227 ( 3.031 0.690 -0.885) 3.232 9.509 ( 4.141 -0.239 9.223) 10.112 9.621 ( 9.217 0.351 -5.438) 10.707 10.208 ( 2.624 -0.232 -0.773) 2.745 ======================= Grid point 287 (110/171) ======================= q-point: (-0.36 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -0.000 3.665 3.461) 5.040 0.931 ( -0.000 7.299 2.745) 7.798 0.960 ( 0.000 -6.051 -0.456) 6.068 0.984 ( -0.000 0.215 0.041) 0.218 1.251 ( -0.000 4.519 3.673) 5.823 1.358 ( -0.000 6.191 0.305) 6.198 1.406 ( 0.000 -0.318 9.397) 9.402 1.672 ( -0.000 7.942 30.645) 31.657 2.064 ( 0.000 -3.857 -3.867) 5.462 2.138 ( -0.000 1.237 -6.157) 6.280 2.429 ( 0.000 -1.583 -12.297) 12.399 2.525 ( -0.000 0.318 1.246) 1.285 2.621 ( 0.000 -0.069 -1.034) 1.036 3.051 ( -0.000 1.036 13.545) 13.585 3.472 ( -0.000 0.122 -4.695) 4.697 3.556 ( 0.000 -1.902 13.458) 13.592 3.602 ( 0.000 -4.413 13.979) 14.659 4.228 ( 0.000 -0.711 2.082) 2.200 4.283 ( -0.000 1.151 0.864) 1.439 5.327 ( -0.000 0.869 -18.090) 18.111 6.779 ( -0.000 0.650 -0.387) 0.757 6.796 ( 0.000 -0.511 -0.744) 0.903 6.952 ( 0.000 -6.722 30.438) 31.171 7.419 ( 0.000 -0.772 3.252) 3.343 7.548 ( 0.000 -0.417 3.173) 3.200 7.748 ( 0.000 -0.707 0.567) 0.906 7.803 ( 0.000 -0.548 -0.627) 0.833 7.807 ( 0.000 -4.205 -3.652) 5.569 7.950 ( 0.000 -1.198 -0.399) 1.263 8.380 ( 0.000 -0.277 -3.481) 3.492 8.450 ( -0.000 1.220 14.020) 14.073 8.930 ( 0.000 -0.546 1.283) 1.394 9.254 ( -0.000 0.903 -0.628) 1.100 9.552 ( 0.000 -0.045 8.696) 8.697 9.719 ( 0.000 -0.869 -5.666) 5.732 10.237 ( 0.000 -0.445 -0.091) 0.454 ======================= Grid point 298 (111/171) ======================= q-point: (-0.57 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 2.019 0.000 -1.246) 2.372 0.877 ( -0.812 -0.000 0.230) 0.843 1.038 ( -0.290 -0.000 2.381) 2.399 1.178 ( -8.071 -0.000 -1.687) 8.246 1.248 ( 1.183 0.000 -0.501) 1.285 1.302 ( 1.632 0.000 -2.802) 3.243 1.778 ( -13.950 -0.000 21.464) 25.599 1.906 ( -4.759 -0.000 1.947) 5.142 2.340 ( -9.483 -0.000 15.929) 18.538 2.565 ( -13.119 -0.000 -5.637) 14.278 2.745 ( -11.048 -0.000 -6.356) 12.746 2.987 ( -27.561 -0.000 2.705) 27.694 3.084 ( -16.816 -0.000 7.120) 18.261 3.158 ( -10.694 -0.000 4.071) 11.443 3.433 ( -5.055 -0.000 20.892) 21.495 3.485 ( 1.818 0.000 -4.400) 4.761 3.498 ( 1.331 0.000 -2.400) 2.744 5.188 ( -1.358 -0.000 -19.986) 20.032 5.586 ( -46.090 -0.000 3.485) 46.222 6.050 ( -42.655 -0.000 -15.725) 45.461 6.842 ( -6.961 -0.000 5.126) 8.645 6.865 ( -0.361 -0.000 -0.615) 0.713 7.066 ( -7.578 -0.000 15.557) 17.304 7.337 ( 3.137 0.000 2.478) 3.997 7.567 ( -0.483 -0.000 -3.278) 3.313 7.628 ( 5.457 0.000 -3.486) 6.476 7.835 ( -1.179 -0.000 5.296) 5.426 7.930 ( -7.469 -0.000 0.688) 7.501 8.028 ( -7.103 -0.000 5.520) 8.996 8.294 ( 6.549 0.000 14.931) 16.304 8.356 ( 2.019 0.000 -3.634) 4.157 8.920 ( -0.106 -0.000 -0.179) 0.208 9.154 ( 4.772 0.000 -1.569) 5.023 9.400 ( 13.204 0.000 -4.534) 13.961 9.403 ( 6.080 0.000 9.681) 11.432 10.145 ( 3.424 0.000 -2.212) 4.076 ======================= Grid point 300 (112/171) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 0.025 0.102 1.957) 1.960 0.883 ( 2.086 -0.725 -0.763) 2.337 1.026 ( -0.892 2.301 0.286) 2.485 1.042 ( -5.555 -0.025 -0.333) 5.565 1.274 ( 1.385 0.611 0.344) 1.553 1.345 ( 2.741 1.226 -0.121) 3.005 1.540 ( -10.213 -0.191 22.215) 24.451 1.879 ( 0.749 0.741 0.594) 1.210 2.053 ( -15.066 0.079 19.953) 25.002 2.376 ( -20.346 0.536 -5.428) 21.064 2.422 ( -2.757 -0.591 -10.735) 11.099 2.682 ( -14.313 0.530 -0.367) 14.327 2.691 ( -8.102 -0.330 -0.333) 8.116 3.080 ( -2.018 0.406 12.711) 12.877 3.439 ( 3.723 0.074 28.201) 28.446 3.479 ( -0.577 0.078 -4.222) 4.262 3.547 ( 2.109 -0.195 -4.937) 5.372 4.617 ( -37.149 -0.224 1.250) 37.171 5.004 ( -56.852 -1.786 -8.029) 57.444 5.314 ( 1.433 -0.260 -17.131) 17.193 6.783 ( -0.323 -0.146 6.187) 6.197 6.824 ( -3.105 0.085 -0.893) 3.232 6.952 ( -5.010 -1.408 19.990) 20.656 7.390 ( 2.044 -0.206 2.849) 3.513 7.552 ( -0.695 -0.065 2.099) 2.212 7.716 ( 3.088 -1.093 -3.915) 5.104 7.807 ( -4.798 -0.357 0.189) 4.815 7.821 ( -1.596 -0.285 0.030) 1.621 7.942 ( -1.361 -0.177 1.777) 2.245 8.376 ( 0.312 -0.049 -3.371) 3.386 8.414 ( 4.817 0.295 15.851) 16.570 8.922 ( 0.181 -0.125 0.405) 0.461 9.232 ( 3.018 0.228 -0.561) 3.079 9.506 ( 4.063 -0.199 10.147) 10.931 9.624 ( 8.905 0.225 -6.361) 10.946 10.207 ( 2.570 -0.080 -0.816) 2.698 ======================= Grid point 301 (113/171) ======================= q-point: (-0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -0.000 0.323 3.543) 3.557 0.915 ( 0.000 -2.121 -0.412) 2.161 0.979 ( -0.000 1.001 0.543) 1.139 0.996 ( -0.000 3.042 0.263) 3.053 1.283 ( -0.000 2.125 2.387) 3.196 1.394 ( -0.000 1.212 10.303) 10.374 1.403 ( 0.000 -0.277 10.572) 10.575 1.782 ( -0.000 12.362 17.268) 21.237 2.005 ( 0.000 -7.545 0.038) 7.545 2.148 ( -0.000 0.684 -6.085) 6.124 2.413 ( 0.000 -1.276 -11.591) 11.661 2.528 ( -0.000 0.180 1.210) 1.223 2.620 ( 0.000 -0.043 -0.993) 0.994 3.060 ( -0.000 0.582 13.319) 13.332 3.473 ( -0.000 0.018 -4.534) 4.534 3.535 ( 0.000 -1.697 29.808) 29.856 3.575 ( 0.000 -1.341 -2.151) 2.535 4.222 ( 0.000 -0.394 2.231) 2.266 4.293 ( -0.000 0.642 0.684) 0.938 5.334 ( -0.000 0.444 -18.156) 18.161 6.784 ( -0.000 0.373 -0.507) 0.629 6.792 ( 0.000 -0.284 -0.659) 0.718 6.904 ( 0.000 -2.921 27.871) 28.023 7.413 ( 0.000 -0.381 3.112) 3.135 7.545 ( 0.000 -0.096 3.431) 3.432 7.742 ( 0.000 -0.380 0.561) 0.677 7.772 ( 0.000 -2.390 -4.412) 5.018 7.798 ( 0.000 -0.328 -0.656) 0.733 7.941 ( 0.000 -0.637 -0.146) 0.654 8.378 ( 0.000 -0.123 -3.227) 3.229 8.460 ( -0.000 0.689 15.268) 15.284 8.926 ( 0.000 -0.318 0.783) 0.845 9.261 ( -0.000 0.443 -0.122) 0.460 9.549 ( 0.000 -0.357 10.156) 10.162 9.715 ( 0.000 -0.055 -6.987) 6.987 10.234 ( 0.000 -0.217 -0.202) 0.296 ======================= Grid point 315 (114/171) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -0.000 0.000 3.804) 3.804 0.909 ( -0.000 0.000 -0.725) 0.725 0.982 ( -0.000 0.000 0.411) 0.411 1.015 ( -0.000 0.000 -0.371) 0.371 1.295 ( -0.000 0.000 1.334) 1.334 1.398 ( -0.000 0.000 14.734) 14.734 1.401 ( -0.000 0.000 11.084) 11.084 1.895 ( -0.000 0.000 15.952) 15.952 1.920 ( 0.000 -0.000 -2.117) 2.117 2.152 ( -0.000 0.000 -6.060) 6.060 2.406 ( -0.000 0.000 -11.259) 11.259 2.528 ( -0.000 0.000 1.197) 1.197 2.620 ( -0.000 0.000 -0.978) 0.978 3.063 ( -0.000 0.000 13.227) 13.227 3.473 ( -0.000 0.000 -4.487) 4.487 3.526 ( -0.000 0.000 33.362) 33.362 3.568 ( -0.000 0.000 -5.703) 5.703 4.220 ( -0.000 0.000 2.284) 2.284 4.296 ( -0.000 0.000 0.619) 0.619 5.336 ( -0.000 0.000 -18.189) 18.189 6.786 ( -0.000 0.000 -0.550) 0.550 6.790 ( -0.000 0.000 -0.629) 0.629 6.889 ( -0.000 0.000 26.984) 26.984 7.411 ( -0.000 0.000 3.073) 3.073 7.545 ( -0.000 0.000 3.588) 3.588 7.740 ( -0.000 0.000 0.557) 0.557 7.760 ( -0.000 0.000 -4.769) 4.769 7.796 ( -0.000 0.000 -0.664) 0.664 7.938 ( -0.000 0.000 -0.031) 0.031 8.377 ( -0.000 0.000 -3.212) 3.212 8.464 ( -0.000 0.000 15.850) 15.850 8.924 ( -0.000 0.000 0.580) 0.580 9.263 ( -0.000 0.000 0.052) 0.052 9.547 ( -0.000 0.000 10.435) 10.435 9.715 ( -0.000 0.000 -7.194) 7.194 10.233 ( -0.000 0.000 -0.240) 0.240 ======================= Grid point 410 (115/171) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.000 0.000 13.398) 13.398 0.773 ( 0.000 0.000 -3.699) 3.699 0.803 ( 0.000 0.000 10.130) 10.130 0.935 ( 0.000 0.000 -3.620) 3.620 1.220 ( 0.000 0.000 -1.994) 1.994 1.231 ( 0.000 0.000 -2.413) 2.413 1.604 ( 0.000 0.000 12.646) 12.646 1.878 ( 0.000 0.000 -12.372) 12.372 2.046 ( 0.000 0.000 2.870) 2.870 2.134 ( 0.000 0.000 -3.806) 3.806 2.548 ( 0.000 0.000 2.061) 2.061 2.590 ( 0.000 0.000 -1.883) 1.883 2.637 ( 0.000 0.000 37.211) 37.211 3.240 ( 0.000 0.000 -18.314) 18.314 3.254 ( 0.000 0.000 10.591) 10.591 3.452 ( 0.000 0.000 -8.762) 8.762 4.269 ( 0.000 0.000 1.539) 1.539 4.282 ( 0.000 0.000 0.391) 0.391 4.319 ( 0.000 0.000 16.877) 16.877 4.774 ( 0.000 0.000 -25.442) 25.442 6.763 ( 0.000 0.000 0.959) 0.959 6.790 ( 0.000 0.000 -1.550) 1.550 7.535 ( 0.000 0.000 3.823) 3.823 7.590 ( 0.000 0.000 -0.866) 0.866 7.799 ( 0.000 0.000 0.670) 0.670 7.812 ( 0.000 0.000 -0.563) 0.563 7.879 ( 0.000 0.000 6.114) 6.114 8.054 ( 0.000 0.000 -7.940) 7.940 8.088 ( 0.000 0.000 -1.559) 1.559 8.103 ( 0.000 0.000 -0.912) 0.912 8.837 ( 0.000 0.000 3.062) 3.062 8.895 ( 0.000 0.000 -2.252) 2.252 9.177 ( 0.000 0.000 6.177) 6.177 9.306 ( 0.000 0.000 -5.981) 5.981 10.174 ( 0.000 0.000 2.137) 2.137 10.214 ( 0.000 0.000 -1.523) 1.523 ======================= Grid point 411 (116/171) ======================= q-point: ( 0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 9.070 -1.142 8.736) 12.644 0.764 ( 1.482 -0.977 3.002) 3.488 0.941 ( 9.282 -1.303 1.802) 9.545 0.989 ( 4.797 -0.351 -2.850) 5.591 1.177 ( -2.599 1.014 -0.710) 2.879 1.204 ( -0.549 -0.713 -3.395) 3.512 1.808 ( 15.329 -0.340 12.333) 19.677 2.006 ( 2.576 0.447 -2.630) 3.708 2.153 ( 17.739 0.023 -6.338) 18.837 2.180 ( 7.011 -0.086 -4.866) 8.534 2.645 ( 9.748 -0.283 12.623) 15.952 2.678 ( 9.577 -0.047 -0.488) 9.589 2.713 ( 8.474 -0.136 23.636) 25.109 3.248 ( 1.442 -0.130 -16.361) 16.425 3.254 ( 0.152 -0.272 9.888) 9.893 3.438 ( -1.281 -0.054 -7.980) 8.083 3.956 ( -8.021 -0.530 25.997) 27.211 4.475 ( 9.282 -0.418 -20.277) 22.304 4.996 ( 29.045 0.860 -3.255) 29.240 5.107 ( 48.120 0.636 -13.161) 49.891 6.790 ( 2.577 -0.061 0.478) 2.622 6.808 ( 1.814 0.016 -1.158) 2.153 7.509 ( -2.435 0.558 3.714) 4.476 7.570 ( -1.966 0.417 -1.621) 2.582 7.770 ( -4.631 1.467 3.091) 5.758 7.808 ( -0.579 0.252 -0.383) 0.739 7.915 ( 4.456 0.918 2.503) 5.193 8.017 ( -1.308 2.892 -4.782) 5.739 8.072 ( -0.175 2.867 0.288) 2.887 8.116 ( -0.567 -4.810 -4.166) 6.388 8.809 ( -1.539 3.095 4.344) 5.551 8.885 ( -1.355 -1.580 -2.938) 3.601 9.140 ( -3.867 -1.258 5.692) 6.995 9.259 ( -4.868 -1.233 -5.493) 7.442 10.034 ( -11.325 2.093 8.330) 14.214 10.157 ( -5.309 0.005 -3.980) 6.635 ======================= Grid point 412 (117/171) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 1.660 -0.937 4.033) 4.461 0.862 ( 6.583 0.389 0.110) 6.596 1.064 ( 3.018 1.083 2.136) 3.852 1.131 ( 8.348 -0.747 -2.138) 8.650 1.202 ( 6.013 -0.216 0.500) 6.038 1.228 ( 2.731 -0.576 -2.537) 3.772 2.024 ( 7.016 0.583 4.434) 8.320 2.041 ( 3.734 0.147 1.655) 4.087 2.413 ( 13.689 -0.212 -0.846) 13.716 2.520 ( 14.788 -0.693 -8.930) 17.289 2.866 ( 11.105 -0.380 29.848) 31.849 3.015 ( 25.113 -0.207 1.820) 25.180 3.045 ( 25.348 -0.381 -1.196) 25.379 3.275 ( 2.936 -0.417 7.853) 8.394 3.304 ( 4.271 -0.192 -12.104) 12.837 3.409 ( -1.431 -0.131 -5.632) 5.813 3.881 ( -1.569 -1.152 30.114) 30.177 4.550 ( 0.882 -0.943 -32.173) 32.198 5.777 ( 44.824 1.039 7.246) 45.418 5.976 ( 39.045 1.413 -12.531) 41.031 6.848 ( 2.923 0.060 -0.009) 2.924 6.857 ( 2.999 -0.214 -0.828) 3.118 7.442 ( -3.900 0.577 3.480) 5.259 7.513 ( -3.324 0.567 -2.894) 4.444 7.630 ( -7.693 2.767 3.129) 8.754 7.700 ( -9.410 1.335 -2.544) 9.838 8.021 ( 5.133 1.614 0.887) 5.453 8.056 ( 4.697 2.955 -2.083) 5.927 8.069 ( 2.964 -0.976 1.798) 3.601 8.125 ( -0.287 -3.395 -3.918) 5.193 8.771 ( -0.021 3.844 5.814) 6.970 8.868 ( -0.998 -1.800 -3.772) 4.297 9.056 ( -4.975 -1.566 4.387) 6.815 9.148 ( -6.717 -1.571 -4.200) 8.077 9.801 ( -10.649 1.601 14.173) 17.801 10.037 ( -6.318 0.230 -8.277) 10.415 ======================= Grid point 413 (118/171) ======================= q-point: ( 0.21 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -0.226 -0.518 3.621) 3.665 0.904 ( -0.953 0.272 -3.750) 3.879 1.152 ( 6.009 1.166 4.015) 7.320 1.231 ( 2.522 0.388 -3.360) 4.219 1.338 ( 7.843 0.908 0.310) 7.902 1.348 ( 7.713 0.361 -0.556) 7.742 2.120 ( 6.018 0.435 3.160) 6.811 2.183 ( 8.293 0.095 -1.827) 8.492 2.646 ( 10.485 -0.416 2.252) 10.732 2.737 ( 8.343 -0.748 -6.045) 10.330 3.074 ( 9.717 -0.086 20.872) 23.024 3.252 ( -0.086 -0.552 4.293) 4.329 3.325 ( 1.163 -0.739 -3.676) 3.926 3.359 ( -0.355 0.262 -6.679) 6.694 3.663 ( 24.759 0.091 6.599) 25.624 3.672 ( 31.686 -0.084 1.838) 31.739 3.913 ( 8.728 -1.398 23.716) 25.310 4.569 ( 1.168 -0.691 -32.405) 32.433 6.545 ( 20.108 0.696 0.597) 20.129 6.549 ( 28.713 0.793 0.162) 28.725 6.902 ( 4.149 0.144 1.269) 4.341 6.929 ( 4.789 -0.382 -1.184) 4.948 7.367 ( -2.646 0.334 3.551) 4.441 7.448 ( -3.182 0.582 -2.532) 4.108 7.489 ( -5.021 1.172 -0.799) 5.218 7.504 ( -7.167 0.432 -1.077) 7.260 8.030 ( -1.615 0.392 1.389) 2.166 8.073 ( -1.215 -0.555 -2.795) 3.097 8.195 ( 6.296 0.297 1.314) 6.439 8.228 ( 9.082 0.503 -1.733) 9.260 8.776 ( 2.425 3.553 5.371) 6.881 8.867 ( -0.218 -1.410 -3.627) 3.898 8.984 ( -2.506 -0.673 2.552) 3.639 9.038 ( -4.706 -1.405 -2.444) 5.485 9.615 ( -7.764 1.022 16.761) 18.500 9.928 ( -4.460 0.267 -11.919) 12.729 ======================= Grid point 414 (119/171) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -1.227 -0.357 2.617) 2.912 0.867 ( -2.325 -0.136 -2.557) 3.459 1.244 ( 3.512 0.596 0.886) 3.671 1.262 ( 1.210 0.608 -0.844) 1.595 1.480 ( 7.199 2.513 0.119) 7.626 1.487 ( 7.167 1.093 -0.498) 7.267 2.252 ( 7.195 -0.102 4.038) 8.251 2.344 ( 8.024 0.075 -4.400) 9.151 2.835 ( 8.492 -0.429 1.152) 8.581 2.870 ( 4.802 -0.770 -2.823) 5.623 3.169 ( -4.613 0.080 6.337) 7.839 3.239 ( -7.275 -0.095 -2.158) 7.589 3.263 ( 5.319 -0.053 9.439) 10.835 3.381 ( 0.605 0.167 -1.821) 1.926 3.818 ( 1.191 -0.060 31.631) 31.654 4.274 ( 27.422 0.222 -2.042) 27.499 4.395 ( 28.819 -0.275 -0.345) 28.823 4.618 ( 4.593 -0.070 -28.106) 28.479 6.703 ( 1.462 0.810 3.286) 3.687 6.753 ( -1.412 1.477 -1.879) 2.776 7.002 ( 0.657 -0.938 1.403) 1.811 7.045 ( 1.152 -0.800 -2.628) 2.979 7.343 ( -3.250 -0.422 3.551) 4.833 7.410 ( -0.304 -0.558 -2.530) 2.608 7.492 ( 13.834 -0.439 3.329) 14.236 7.545 ( 8.055 0.288 -1.677) 8.233 7.988 ( -1.761 0.971 3.297) 3.861 8.047 ( -1.184 -0.046 -3.179) 3.393 8.295 ( 3.647 0.771 3.849) 5.359 8.383 ( 6.267 0.900 -4.286) 7.646 8.822 ( 3.599 1.522 2.713) 4.757 8.868 ( 0.074 -1.038 -2.044) 2.294 8.972 ( 0.906 0.337 1.476) 1.765 9.002 ( 0.322 -0.606 -1.155) 1.344 9.489 ( -4.687 0.491 19.245) 19.813 9.867 ( -1.703 0.167 -14.797) 14.896 ======================= Grid point 415 (120/171) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -1.288 -0.378 1.803) 2.248 0.824 ( -2.165 -0.747 -1.649) 2.822 1.272 ( 0.360 0.793 0.382) 0.951 1.283 ( 0.955 0.762 -0.635) 1.377 1.590 ( 5.519 2.306 1.062) 6.075 1.613 ( 6.173 1.009 -1.035) 6.340 2.378 ( 4.769 -0.600 4.680) 6.709 2.481 ( 5.399 -0.439 -4.991) 7.365 2.877 ( -6.894 0.075 0.369) 6.904 2.890 ( -6.770 0.030 -0.630) 6.799 3.098 ( 3.548 0.330 0.969) 3.692 3.113 ( -1.959 0.586 -1.226) 2.384 3.358 ( 3.145 0.012 4.807) 5.744 3.370 ( -1.500 0.049 1.893) 2.416 3.834 ( 0.730 0.166 36.765) 36.773 4.582 ( 5.504 0.346 -29.835) 30.341 4.853 ( 18.506 0.696 -0.195) 18.521 4.882 ( 19.778 0.390 -2.039) 19.886 6.681 ( -3.199 2.211 0.566) 3.930 6.693 ( -1.621 1.363 -0.141) 2.122 6.986 ( -1.853 -1.767 -0.129) 2.564 6.994 ( -3.826 -2.130 -0.980) 4.487 7.310 ( -0.461 -0.525 5.557) 5.601 7.419 ( 1.063 -1.250 -4.573) 4.859 7.700 ( 6.177 0.646 4.242) 7.521 7.782 ( 10.881 -0.003 -3.198) 11.341 7.977 ( 2.008 1.373 6.044) 6.515 8.048 ( 2.331 0.601 -2.036) 3.152 8.324 ( -0.126 0.253 5.144) 5.151 8.443 ( 0.625 0.852 -6.151) 6.241 8.891 ( 3.563 -0.146 1.470) 3.857 8.913 ( 4.139 -0.392 -0.705) 4.217 8.998 ( 1.399 0.305 1.022) 1.759 9.023 ( 0.971 -0.130 -1.114) 1.483 9.429 ( -1.549 -0.154 21.441) 21.497 9.855 ( 0.299 -0.079 -16.796) 16.799 ======================= Grid point 416 (121/171) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -0.800 -0.243 1.322) 1.564 0.793 ( -1.406 -0.897 -1.041) 1.966 1.268 ( -0.274 0.643 0.668) 0.967 1.284 ( -0.206 0.663 -0.785) 1.048 1.669 ( 3.435 1.220 2.249) 4.283 1.713 ( 4.405 0.508 -1.931) 4.837 2.392 ( -4.425 -0.877 5.432) 7.061 2.502 ( -5.076 -0.761 -4.890) 7.089 2.727 ( -2.569 1.122 0.770) 2.907 2.748 ( -3.669 0.712 -1.124) 3.903 3.142 ( 3.159 0.463 2.492) 4.050 3.210 ( 5.677 0.245 -3.432) 6.639 3.322 ( -3.047 -0.155 3.734) 4.821 3.386 ( -0.244 -0.138 -1.342) 1.371 3.846 ( 0.588 0.204 41.554) 41.558 4.646 ( 2.101 0.316 -33.009) 33.078 5.136 ( 10.005 0.564 1.520) 10.136 5.162 ( 9.339 0.576 -1.023) 9.412 6.608 ( -2.515 1.957 1.761) 3.641 6.660 ( -1.117 1.213 -2.617) 3.093 6.952 ( -1.544 -2.153 0.455) 2.688 6.972 ( -0.605 -1.676 -1.417) 2.276 7.319 ( 0.824 -0.191 6.596) 6.650 7.454 ( 1.587 -0.819 -5.979) 6.240 7.758 ( 1.113 1.206 5.522) 5.761 7.880 ( 1.269 0.432 -5.858) 6.010 8.044 ( 4.185 0.653 9.679) 10.565 8.143 ( 6.022 0.563 -1.295) 6.185 8.305 ( -1.495 -0.281 4.928) 5.158 8.425 ( -1.454 0.314 -6.699) 6.862 8.956 ( 2.485 0.447 2.832) 3.794 8.989 ( 2.813 -0.168 -0.568) 2.875 9.016 ( 0.639 -0.290 0.194) 0.728 9.037 ( 0.643 -0.363 -1.620) 1.780 9.418 ( -0.162 -0.447 22.234) 22.239 9.868 ( 0.646 -0.192 -17.866) 17.879 ======================= Grid point 417 (122/171) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 0.000 -0.000 1.167) 1.167 0.782 ( 0.000 -0.000 -0.804) 0.804 1.262 ( 0.000 -0.000 0.811) 0.811 1.279 ( 0.000 -0.000 -0.768) 0.768 1.702 ( 0.000 -0.000 2.965) 2.965 1.761 ( 0.000 -0.000 -2.616) 2.616 2.319 ( 0.000 -0.000 5.370) 5.370 2.420 ( 0.000 -0.000 -4.132) 4.132 2.723 ( 0.000 -0.000 -0.324) 0.324 2.727 ( 0.000 -0.000 -0.679) 0.679 3.185 ( 0.000 -0.000 4.323) 4.323 3.272 ( 0.000 -0.000 -1.075) 1.075 3.282 ( 0.000 -0.000 0.809) 0.809 3.373 ( 0.000 -0.000 -4.407) 4.407 3.852 ( 0.000 -0.000 43.597) 43.597 4.666 ( 0.000 -0.000 -33.211) 33.211 5.231 ( 0.000 -0.000 1.188) 1.188 5.249 ( 0.000 -0.000 -0.609) 0.609 6.577 ( 0.000 -0.000 2.262) 2.262 6.644 ( 0.000 -0.000 -3.633) 3.633 6.945 ( 0.000 -0.000 0.832) 0.832 6.973 ( 0.000 -0.000 -1.740) 1.740 7.330 ( 0.000 -0.000 6.928) 6.928 7.474 ( 0.000 -0.000 -6.536) 6.536 7.762 ( 0.000 -0.000 5.700) 5.700 7.886 ( 0.000 -0.000 -5.936) 5.936 8.090 ( 0.000 -0.000 11.479) 11.479 8.213 ( 0.000 -0.000 -1.827) 1.827 8.283 ( 0.000 -0.000 4.840) 4.840 8.406 ( 0.000 -0.000 -7.060) 7.060 8.975 ( 0.000 -0.000 3.555) 3.555 9.017 ( 0.000 -0.000 -0.660) 0.660 9.023 ( 0.000 -0.000 0.174) 0.174 9.050 ( 0.000 -0.000 -2.252) 2.252 9.418 ( 0.000 -0.000 22.467) 22.467 9.875 ( 0.000 -0.000 -18.208) 18.208 ======================= Grid point 426 (123/171) ======================= q-point: ( 0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 1.868 0.000 4.299) 4.687 0.864 ( 6.621 0.000 -0.442) 6.636 1.070 ( 3.238 0.000 2.030) 3.821 1.126 ( 9.189 0.000 -1.091) 9.254 1.202 ( 5.843 0.000 0.194) 5.846 1.225 ( 2.730 0.000 -2.856) 3.951 2.027 ( 8.075 0.000 4.813) 9.401 2.042 ( 2.627 0.000 1.421) 2.987 2.412 ( 13.616 0.000 -1.066) 13.658 2.516 ( 14.855 0.000 -8.955) 17.345 2.864 ( 11.256 0.000 30.211) 32.239 3.014 ( 25.155 0.000 1.631) 25.207 3.043 ( 25.113 0.000 -1.142) 25.139 3.273 ( 3.023 0.000 7.924) 8.481 3.303 ( 4.332 0.000 -12.057) 12.812 3.408 ( -1.434 -0.000 -5.752) 5.928 3.874 ( -1.512 -0.000 30.071) 30.109 4.545 ( 0.977 0.000 -32.298) 32.312 5.782 ( 44.681 0.000 7.327) 45.278 5.983 ( 38.726 0.000 -12.629) 40.733 6.848 ( 2.983 0.000 -0.109) 2.985 6.855 ( 2.959 0.000 -0.774) 3.059 7.445 ( -4.032 -0.000 3.470) 5.320 7.516 ( -3.437 -0.000 -2.982) 4.550 7.645 ( -7.988 -0.000 2.852) 8.482 7.707 ( -9.628 -0.000 -2.080) 9.850 8.031 ( 5.041 0.000 0.838) 5.110 8.061 ( 4.788 0.000 1.089) 4.911 8.089 ( 0.404 0.000 -4.610) 4.627 8.091 ( 2.013 0.000 -1.205) 2.346 8.797 ( -0.054 -0.000 3.345) 3.345 8.854 ( -1.090 -0.000 -2.095) 2.362 9.048 ( -4.685 -0.000 4.556) 6.535 9.139 ( -6.523 -0.000 -4.114) 7.712 9.809 ( -11.030 -0.000 13.901) 17.746 10.038 ( -6.323 -0.000 -7.997) 10.195 ======================= Grid point 427 (124/171) ======================= q-point: ( 0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -0.060 -0.217 3.850) 3.856 0.906 ( -1.082 0.077 -4.062) 4.204 1.161 ( 5.580 0.482 3.539) 6.626 1.233 ( 2.513 0.150 -3.301) 4.152 1.345 ( 8.537 0.424 0.253) 8.551 1.349 ( 8.195 -0.017 -0.112) 8.196 2.123 ( 5.730 0.164 3.051) 6.493 2.183 ( 8.355 0.004 -1.662) 8.519 2.643 ( 10.491 -0.134 1.942) 10.670 2.732 ( 8.404 -0.264 -6.060) 10.365 3.073 ( 9.799 -0.033 21.261) 23.411 3.249 ( 0.059 -0.182 4.201) 4.205 3.319 ( 1.129 -0.258 -3.486) 3.673 3.361 ( -0.124 0.097 -6.811) 6.813 3.664 ( 24.998 0.038 6.441) 25.814 3.671 ( 31.766 -0.034 1.826) 31.818 3.903 ( 8.816 -0.505 23.950) 25.526 4.564 ( 1.428 -0.247 -32.603) 32.635 6.550 ( 18.377 0.232 0.682) 18.391 6.554 ( 30.162 0.284 0.231) 30.164 6.903 ( 4.080 0.054 1.068) 4.218 6.927 ( 4.632 -0.137 -1.029) 4.747 7.370 ( -2.745 0.121 3.531) 4.474 7.452 ( -2.763 0.230 -3.241) 4.265 7.497 ( -9.158 0.402 0.196) 9.169 7.507 ( -5.128 0.119 -1.395) 5.316 8.032 ( -1.835 0.107 1.039) 2.112 8.069 ( -1.154 -0.233 -2.818) 3.054 8.197 ( 6.860 0.135 1.458) 7.015 8.233 ( 9.178 0.233 -1.746) 9.345 8.811 ( 1.907 2.926 2.236) 4.147 8.848 ( -0.127 -2.109 -1.339) 2.502 8.981 ( -1.819 -0.131 2.248) 2.894 9.027 ( -4.615 -0.636 -2.183) 5.145 9.622 ( -8.051 0.380 16.645) 18.494 9.930 ( -4.490 0.094 -11.666) 12.501 ======================= Grid point 428 (125/171) ======================= q-point: ( 0.21 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -1.193 -0.225 2.676) 2.939 0.866 ( -2.562 -0.106 -2.660) 3.694 1.249 ( 3.442 0.385 0.741) 3.542 1.267 ( 1.256 0.327 -0.942) 1.604 1.496 ( 7.112 0.598 0.075) 7.138 1.500 ( 7.344 1.349 -0.346) 7.475 2.251 ( 7.000 -0.069 4.051) 8.088 2.344 ( 7.898 0.001 -4.515) 9.098 2.832 ( 8.575 -0.228 0.930) 8.628 2.864 ( 4.858 -0.425 -2.744) 5.595 3.169 ( -4.373 0.041 6.276) 7.650 3.238 ( -7.042 -0.031 -2.269) 7.398 3.262 ( 5.548 -0.029 9.858) 11.312 3.382 ( 0.574 0.100 -1.778) 1.871 3.817 ( 1.264 -0.050 31.714) 31.739 4.276 ( 27.536 0.128 -2.041) 27.612 4.393 ( 29.296 -0.136 -0.277) 29.298 4.618 ( 4.859 -0.044 -28.282) 28.696 6.709 ( 1.602 0.426 3.561) 3.928 6.765 ( -1.272 0.765 -2.077) 2.553 6.994 ( 0.419 -0.499 1.389) 1.534 7.039 ( 0.758 -0.429 -2.771) 2.905 7.340 ( -3.489 -0.179 3.535) 4.970 7.406 ( -1.274 -0.275 -2.508) 2.827 7.489 ( 14.473 -0.263 3.663) 14.932 7.547 ( 7.857 0.138 -1.935) 8.093 7.995 ( -1.419 0.486 2.916) 3.279 8.047 ( -0.917 -0.076 -2.832) 2.978 8.302 ( 3.525 0.481 3.904) 5.282 8.390 ( 6.354 0.562 -4.343) 7.717 8.837 ( 2.375 1.281 0.803) 2.815 8.858 ( 0.382 -0.899 -1.394) 1.702 8.977 ( 1.146 0.582 1.212) 1.766 8.994 ( 0.705 -0.865 -0.397) 1.185 9.493 ( -4.977 0.283 19.280) 19.914 9.868 ( -1.796 0.096 -14.630) 14.740 ======================= Grid point 429 (126/171) ======================= q-point: ( 0.29 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -1.252 -0.265 1.623) 2.066 0.818 ( -2.365 -0.528 -1.516) 2.858 1.279 ( 0.323 0.561 0.355) 0.738 1.290 ( 1.015 0.510 -0.620) 1.294 1.610 ( 5.176 1.470 0.489) 5.403 1.622 ( 5.845 0.825 -0.660) 5.940 2.373 ( 4.521 -0.451 4.645) 6.498 2.477 ( 5.054 -0.355 -5.180) 7.246 2.877 ( -5.745 -0.060 0.335) 5.755 2.890 ( -6.506 0.101 -0.554) 6.530 3.101 ( 3.331 0.237 1.117) 3.521 3.118 ( -1.995 0.412 -1.263) 2.397 3.358 ( 3.182 0.016 4.916) 5.856 3.370 ( -1.671 0.022 1.878) 2.514 3.835 ( 0.799 0.100 36.835) 36.844 4.585 ( 5.559 0.268 -29.976) 30.488 4.859 ( 18.471 0.555 -0.456) 18.485 4.885 ( 20.113 0.191 -1.643) 20.181 6.700 ( -2.166 1.350 0.525) 2.605 6.705 ( -2.352 1.041 0.037) 2.572 6.970 ( -2.195 -1.206 -0.377) 2.533 6.976 ( -4.181 -1.483 -0.917) 4.530 7.306 ( -0.240 -0.225 5.329) 5.339 7.408 ( 1.180 -0.815 -4.097) 4.341 7.706 ( 6.601 0.464 3.942) 7.702 7.782 ( 11.095 -0.048 -2.986) 11.490 7.990 ( 1.781 0.993 5.580) 5.941 8.052 ( 2.390 0.247 -1.660) 2.921 8.326 ( -0.406 0.262 5.239) 5.261 8.451 ( 0.367 0.628 -6.539) 6.579 8.888 ( 3.433 -0.399 1.160) 3.646 8.913 ( 4.488 0.179 -1.127) 4.630 9.001 ( 1.148 0.413 1.027) 1.595 9.019 ( 0.860 -0.513 -0.574) 1.154 9.428 ( -1.815 -0.105 21.603) 21.680 9.855 ( 0.193 -0.052 -16.756) 16.757 ======================= Grid point 430 (127/171) ======================= q-point: ( 0.36 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -0.630 -0.107 0.972) 1.163 0.785 ( -1.261 -0.804 -0.733) 1.665 1.275 ( -0.426 0.544 0.644) 0.944 1.290 ( -0.483 0.499 -0.787) 1.050 1.683 ( 3.009 1.377 1.622) 3.686 1.717 ( 3.957 0.093 -1.569) 4.258 2.384 ( -4.177 -0.736 5.388) 6.857 2.494 ( -4.641 -0.700 -5.061) 6.902 2.739 ( -3.070 1.045 0.667) 3.311 2.754 ( -3.702 0.431 -0.731) 3.798 3.147 ( 3.098 0.381 2.449) 3.967 3.212 ( 5.688 0.195 -3.288) 6.573 3.320 ( -3.141 -0.130 3.690) 4.848 3.385 ( -0.302 -0.123 -1.383) 1.421 3.848 ( 0.532 0.155 41.605) 41.609 4.649 ( 2.015 0.309 -33.127) 33.190 5.141 ( 9.801 0.471 1.553) 9.934 5.168 ( 9.190 0.426 -0.940) 9.247 6.627 ( -3.238 1.557 1.485) 3.888 6.671 ( -1.512 0.966 -2.230) 2.862 6.931 ( -0.936 -1.844 0.586) 2.149 6.956 ( -0.143 -1.497 -1.705) 2.273 7.319 ( 1.091 0.129 6.429) 6.523 7.447 ( 1.943 -0.596 -5.339) 5.713 7.771 ( 1.040 1.160 4.869) 5.112 7.883 ( 1.089 0.061 -5.498) 5.605 8.051 ( 3.852 0.575 9.523) 10.289 8.148 ( 5.950 0.377 -1.255) 6.093 8.303 ( -1.573 -0.070 5.008) 5.250 8.428 ( -1.694 0.251 -7.012) 7.218 8.960 ( 2.874 0.239 2.442) 3.779 8.989 ( 2.696 0.247 -0.451) 2.745 9.013 ( 0.478 -0.392 0.264) 0.672 9.033 ( 0.601 -0.510 -1.396) 1.603 9.414 ( -0.092 -0.350 22.427) 22.430 9.866 ( 0.678 -0.151 -17.905) 17.919 ======================= Grid point 431 (128/171) ======================= q-point: ( 0.43 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 0.123 0.052 1.140) 1.148 0.781 ( 0.623 -0.052 -0.777) 0.998 1.263 ( -0.386 0.151 0.729) 0.839 1.278 ( -0.418 -0.140 -0.704) 0.830 1.705 ( -0.453 0.590 2.696) 2.797 1.758 ( -0.379 -0.506 -2.342) 2.426 2.318 ( 0.469 -0.050 5.344) 5.364 2.419 ( 0.159 -0.120 -4.130) 4.135 2.723 ( -0.305 0.026 -0.290) 0.422 2.727 ( -0.572 0.120 -0.679) 0.896 3.185 ( -0.495 -0.038 4.324) 4.353 3.273 ( -0.082 0.087 -1.327) 1.332 3.282 ( 0.114 -0.066 1.038) 1.046 3.373 ( 0.222 -0.011 -4.402) 4.408 3.852 ( -0.134 -0.007 43.604) 43.605 4.666 ( -0.171 0.071 -33.254) 33.255 5.231 ( -0.332 0.008 1.194) 1.240 5.249 ( -0.383 -0.018 -0.575) 0.691 6.576 ( -1.202 -0.123 2.272) 2.573 6.644 ( -0.766 -0.054 -3.656) 3.735 6.944 ( 1.278 -0.185 0.806) 1.522 6.971 ( 0.979 -0.207 -1.755) 2.020 7.332 ( 0.206 0.445 6.941) 6.958 7.474 ( 0.431 -0.029 -6.187) 6.202 7.765 ( -0.690 0.476 5.285) 5.351 7.884 ( -0.449 -0.450 -5.791) 5.826 8.090 ( -0.331 0.047 11.457) 11.461 8.211 ( -0.693 -0.209 -1.682) 1.831 8.285 ( 0.619 0.363 4.619) 4.675 8.406 ( -0.111 -0.004 -7.016) 7.016 8.974 ( -0.516 -0.076 3.581) 3.619 9.017 ( -0.035 -0.033 -0.673) 0.674 9.023 ( 0.429 -0.086 0.207) 0.484 9.050 ( 0.312 0.033 -2.275) 2.297 9.418 ( 0.332 0.021 22.456) 22.458 9.875 ( 0.138 0.004 -18.206) 18.207 ======================= Grid point 432 (129/171) ======================= q-point: (-0.50 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.940 0.299 1.639) 1.913 0.802 ( 1.618 0.847 -1.307) 2.246 1.262 ( 0.055 -0.575 0.650) 0.870 1.277 ( -0.068 -0.740 -0.725) 1.038 1.659 ( -4.140 -0.848 2.600) 4.961 1.707 ( -4.681 -0.769 -1.977) 5.140 2.401 ( 4.722 0.839 5.440) 7.253 2.509 ( 5.644 0.628 -4.665) 7.349 2.716 ( 1.889 -0.998 0.749) 2.264 2.739 ( 3.558 -0.823 -1.421) 3.918 3.137 ( -3.207 -0.449 2.529) 4.109 3.207 ( -5.667 -0.246 -3.596) 6.717 3.323 ( 2.941 0.148 3.768) 4.782 3.388 ( 0.184 0.122 -1.293) 1.311 3.844 ( -0.654 -0.216 41.514) 41.519 4.643 ( -2.201 -0.240 -32.969) 33.043 5.130 ( -10.217 -0.542 1.471) 10.337 5.156 ( -9.527 -0.626 -1.021) 9.602 6.588 ( 1.784 -1.974 2.065) 3.368 6.647 ( 0.697 -1.227 -3.052) 3.362 6.974 ( 2.253 1.951 0.253) 2.991 6.989 ( 1.154 1.465 -1.125) 2.178 7.323 ( -0.562 0.665 6.789) 6.845 7.463 ( -1.151 0.842 -6.256) 6.417 7.747 ( -1.386 -0.898 5.774) 6.005 7.874 ( -1.373 -0.852 -6.073) 6.284 8.038 ( -4.541 -0.591 9.784) 10.803 8.137 ( -6.103 -0.610 -1.276) 6.264 8.309 ( 1.342 0.443 4.681) 4.890 8.422 ( 1.199 -0.315 -6.274) 6.396 8.951 ( -2.278 -0.480 3.329) 4.062 8.992 ( -2.561 0.460 -0.781) 2.717 9.019 ( -0.764 0.155 0.105) 0.786 9.040 ( -0.878 0.089 -1.812) 2.015 9.422 ( 0.229 0.458 22.012) 22.018 9.870 ( -0.611 0.195 -17.821) 17.833 ======================= Grid point 433 (130/171) ======================= q-point: (-0.43 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 1.299 0.411 2.020) 2.437 0.833 ( 1.910 0.808 -1.810) 2.753 1.264 ( -0.393 -0.869 0.395) 1.032 1.275 ( -0.865 -0.875 -0.635) 1.384 1.565 ( -6.260 -2.630 1.935) 7.060 1.602 ( -6.370 -1.062 -1.582) 6.649 2.384 ( -5.084 0.606 4.690) 6.943 2.485 ( -5.841 0.385 -4.758) 7.543 2.875 ( 8.336 -0.289 0.555) 8.359 2.890 ( 7.158 0.103 -0.877) 7.212 3.094 ( -3.823 -0.347 0.784) 3.918 3.106 ( 1.891 -0.637 -1.184) 2.320 3.358 ( -3.135 0.003 4.676) 5.630 3.369 ( 1.336 -0.079 1.910) 2.332 3.832 ( -0.657 -0.213 36.704) 36.710 4.579 ( -5.453 -0.326 -29.732) 30.229 4.846 ( -18.405 -0.666 -0.104) 18.417 4.877 ( -19.482 -0.551 -2.238) 19.618 6.656 ( 3.550 -2.545 0.901) 4.460 6.678 ( 1.516 -1.531 -0.636) 2.246 7.005 ( 1.546 1.932 0.159) 2.480 7.018 ( 3.444 2.324 -1.072) 4.291 7.317 ( 0.709 0.950 5.787) 5.907 7.433 ( -0.953 1.453 -5.030) 5.322 7.693 ( -5.641 -0.689 4.577) 7.297 7.782 ( -10.502 -0.108 -3.447) 11.054 7.962 ( -2.390 -1.502 6.435) 7.027 8.040 ( -2.326 -0.918 -2.358) 3.437 8.322 ( -0.217 -0.139 4.966) 4.973 8.434 ( -0.885 -0.868 -5.600) 5.735 8.891 ( -3.868 -0.153 2.401) 4.555 8.921 ( -3.539 1.117 -0.752) 3.786 8.995 ( -1.665 -0.310 0.724) 1.842 9.022 ( -1.177 -0.379 -1.486) 1.933 9.431 ( 1.221 0.173 21.249) 21.285 9.856 ( -0.428 0.093 -16.845) 16.850 ======================= Grid point 434 (131/171) ======================= q-point: (-0.36 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 1.217 0.343 2.515) 2.815 0.868 ( 1.928 0.070 -2.419) 3.094 1.238 ( -3.513 -0.520 1.022) 3.695 1.255 ( -1.105 -0.781 -0.645) 1.499 1.449 ( -6.990 -3.332 0.854) 7.790 1.474 ( -7.316 -1.397 -1.340) 7.568 2.253 ( -7.458 0.087 3.988) 8.457 2.343 ( -8.229 -0.216 -4.206) 9.244 2.840 ( -8.361 0.565 1.463) 8.507 2.879 ( -4.711 0.965 -2.927) 5.629 3.168 ( 4.943 -0.111 6.440) 8.119 3.240 ( 7.743 0.175 -2.179) 8.046 3.263 ( -5.069 0.083 8.994) 10.325 3.379 ( -0.617 -0.181 -1.883) 1.989 3.818 ( -1.094 0.022 31.541) 31.560 4.271 ( -27.259 -0.261 -2.030) 27.336 4.398 ( -28.139 0.396 -0.469) 28.146 4.619 ( -4.198 0.071 -27.865) 28.179 6.693 ( -1.241 -1.075 2.851) 3.290 6.735 ( 1.633 -1.997 -1.557) 3.013 7.013 ( -1.002 1.240 1.423) 2.137 7.054 ( -1.762 1.006 -2.383) 3.130 7.349 ( 2.851 0.726 3.502) 4.573 7.417 ( -0.849 0.792 -2.572) 2.822 7.497 ( -13.176 0.482 2.866) 13.493 7.542 ( -8.430 -0.411 -1.271) 8.535 7.975 ( 2.130 -1.442 3.817) 4.603 8.047 ( 1.692 -0.082 -3.704) 4.073 8.287 ( -3.812 -0.781 3.781) 5.426 8.373 ( -6.079 -0.919 -4.170) 7.429 8.806 ( -4.740 -1.502 5.003) 7.054 8.879 ( -0.188 1.245 -2.579) 2.870 8.969 ( -0.514 -0.207 1.389) 1.496 9.006 ( 0.180 0.130 -1.718) 1.732 9.484 ( 4.290 -0.581 19.191) 19.673 9.865 ( 1.569 -0.199 -15.034) 15.117 ======================= Grid point 435 (132/171) ======================= q-point: (-0.29 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 0.418 0.460 3.200) 3.260 0.900 ( 0.767 -0.547 -3.265) 3.398 1.139 ( -6.500 -1.124 4.691) 8.095 1.226 ( -2.497 -0.456 -3.363) 4.214 1.327 ( -6.979 -1.314 0.214) 7.105 1.341 ( -6.654 -0.886 -1.080) 6.799 2.114 ( -6.483 -0.588 3.297) 7.297 2.181 ( -8.246 -0.328 -2.032) 8.499 2.652 ( -10.432 0.697 2.785) 10.820 2.747 ( -8.233 1.094 -6.003) 10.248 3.075 ( -9.569 0.107 20.221) 22.371 3.260 ( 0.378 0.904 4.426) 4.534 3.334 ( -1.529 1.077 -4.218) 4.614 3.356 ( 1.080 -0.304 -6.237) 6.337 3.662 ( -24.356 -0.086 6.854) 25.303 3.673 ( -31.570 0.099 1.884) 31.626 3.931 ( -8.552 1.973 23.296) 24.895 4.578 ( -0.691 0.990 -32.065) 32.088 6.535 ( -25.195 -1.164 0.460) 25.226 6.539 ( -24.149 -1.106 0.013) 24.174 6.901 ( -4.278 -0.183 1.631) 4.582 6.934 ( -5.092 0.544 -1.451) 5.322 7.363 ( 2.458 -0.480 3.595) 4.381 7.441 ( 3.266 -0.758 -1.142) 3.542 7.474 ( 2.055 -1.821 -1.867) 3.321 7.498 ( 7.013 -0.760 -1.331) 7.179 8.023 ( 1.367 -0.824 2.119) 2.653 8.079 ( 0.807 0.465 -2.788) 2.939 8.192 ( -5.071 -0.124 1.031) 5.176 8.224 ( -8.772 -0.345 -1.788) 8.959 8.741 ( -2.934 -3.263 8.708) 9.751 8.877 ( 0.136 0.675 -4.890) 4.939 8.994 ( 3.434 1.184 2.472) 4.394 9.053 ( 5.124 1.496 -2.831) 6.043 9.602 ( 7.294 -1.376 16.931) 18.486 9.925 ( 4.391 -0.392 -12.354) 13.117 ======================= Grid point 436 (133/171) ======================= q-point: (-0.21 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -1.277 1.083 3.336) 3.732 0.860 ( -5.898 0.203 0.948) 5.977 1.051 ( -2.364 -1.391 2.508) 3.717 1.135 ( -7.118 -0.017 -3.720) 8.032 1.209 ( -5.766 1.153 0.845) 5.941 1.235 ( -2.713 0.859 -2.022) 3.491 2.014 ( -5.430 -1.239 3.887) 6.792 2.039 ( -5.463 -0.213 1.824) 5.763 2.417 ( -13.830 0.583 -0.248) 13.844 2.530 ( -14.615 1.242 -8.841) 17.126 2.872 ( -10.693 0.654 28.899) 30.821 3.018 ( -25.083 0.405 2.225) 25.185 3.051 ( -25.953 0.778 -1.267) 25.996 3.281 ( -2.689 0.720 7.647) 8.138 3.307 ( -4.086 0.295 -12.225) 12.893 3.411 ( 1.394 0.252 -5.317) 5.503 3.897 ( 1.729 2.066 30.240) 30.360 4.564 ( -0.594 1.737 -31.839) 31.892 5.761 ( -45.221 -1.892 6.994) 45.798 5.955 ( -39.973 -2.718 -12.195) 41.880 6.847 ( -2.800 -0.000 0.207) 2.808 6.859 ( -3.056 0.298 -0.919) 3.205 7.434 ( 3.530 -1.024 3.508) 5.080 7.504 ( 2.969 -1.253 -2.354) 3.991 7.592 ( 6.842 -4.476 3.531) 8.906 7.679 ( 8.752 -2.803 -3.569) 9.858 8.002 ( -5.356 -1.928 1.126) 5.803 8.026 ( -5.517 -2.745 -0.781) 6.211 8.081 ( -3.545 1.222 2.492) 4.502 8.159 ( 1.376 3.261 -4.733) 5.909 8.731 ( 0.046 -3.559 9.557) 10.198 8.882 ( 0.929 0.889 -5.287) 5.441 9.078 ( 5.541 2.424 3.850) 7.170 9.170 ( 7.287 2.604 -4.540) 8.972 9.778 ( 9.725 -2.589 14.818) 17.912 10.033 ( 6.248 -0.502 -8.994) 10.963 ======================= Grid point 437 (134/171) ======================= q-point: (-0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -6.487 3.295 7.867) 10.716 0.783 ( -0.963 2.623 2.456) 3.720 0.964 ( -8.347 2.855 0.073) 8.822 0.996 ( -4.836 0.933 -2.440) 5.496 1.165 ( 1.747 -1.138 0.756) 2.218 1.213 ( 0.872 0.903 -3.407) 3.630 1.815 ( -15.082 0.925 12.186) 19.412 1.997 ( -2.002 -1.325 -1.689) 2.935 2.153 ( -16.502 0.034 -6.150) 17.611 2.183 ( -9.208 0.372 -6.003) 10.998 2.650 ( -10.159 0.748 10.530) 14.651 2.679 ( -9.660 0.140 -0.481) 9.673 2.716 ( -8.006 0.415 25.373) 26.609 3.251 ( -1.447 0.377 -15.859) 15.930 3.259 ( -0.172 0.690 9.191) 9.219 3.439 ( 1.264 0.107 -7.729) 7.832 3.967 ( 7.668 1.487 26.307) 27.442 4.484 ( -9.850 1.207 -19.666) 22.028 4.979 ( -30.473 -2.294 -3.047) 30.711 5.094 ( -45.737 -1.944 -13.078) 47.610 6.791 ( -2.565 0.184 0.423) 2.606 6.808 ( -1.914 -0.038 -1.076) 2.196 7.498 ( 2.205 -1.547 3.712) 4.586 7.561 ( 1.907 -1.343 -1.734) 2.906 7.740 ( 5.212 -4.345 4.226) 7.994 7.800 ( 1.359 -1.250 -1.173) 2.188 7.899 ( -5.052 -2.146 1.607) 5.720 7.967 ( -0.767 -5.836 -4.312) 7.297 8.058 ( 0.146 -0.346 4.199) 4.216 8.163 ( 0.809 4.211 -6.245) 7.575 8.768 ( 1.314 -4.058 8.326) 9.355 8.901 ( 1.247 1.122 -4.682) 4.973 9.163 ( 4.075 2.871 5.123) 7.148 9.283 ( 5.211 3.258 -5.922) 8.535 9.996 ( 9.849 -4.860 10.228) 15.008 10.155 ( 5.398 -0.520 -5.124) 7.461 ======================= Grid point 438 (135/171) ======================= q-point: (-0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -0.000 6.271 11.366) 12.981 0.789 ( -0.000 3.013 -3.753) 4.813 0.815 ( -0.000 2.281 9.425) 9.697 0.938 ( -0.000 0.584 -3.379) 3.429 1.207 ( 0.000 -1.764 -0.758) 1.920 1.239 ( -0.000 0.744 -2.867) 2.962 1.608 ( -0.000 0.688 12.757) 12.775 1.882 ( -0.000 0.819 -12.351) 12.378 2.039 ( 0.000 -1.239 2.971) 3.219 2.131 ( 0.000 -0.406 -4.232) 4.252 2.549 ( -0.000 0.109 2.045) 2.048 2.590 ( -0.000 0.040 -1.866) 1.866 2.641 ( -0.000 0.683 37.032) 37.038 3.240 ( -0.000 0.169 -17.978) 17.979 3.257 ( -0.000 0.523 10.174) 10.188 3.452 ( -0.000 0.085 -8.618) 8.618 4.271 ( -0.000 0.292 1.443) 1.472 4.281 ( 0.000 -0.095 0.483) 0.493 4.309 ( 0.000 -1.773 17.922) 18.010 4.779 ( -0.000 0.890 -25.804) 25.820 6.763 ( -0.000 0.101 0.901) 0.906 6.789 ( 0.000 -0.124 -1.499) 1.504 7.528 ( 0.000 -1.324 3.825) 4.047 7.586 ( 0.000 -0.878 -1.072) 1.385 7.797 ( 0.000 -0.430 0.707) 0.827 7.811 ( 0.000 -0.270 -0.609) 0.666 7.860 ( 0.000 -3.866 6.088) 7.212 8.007 ( 0.000 -6.974 -6.274) 9.380 8.070 ( 0.000 -1.233 2.702) 2.970 8.148 ( -0.000 4.739 -5.616) 7.348 8.806 ( 0.000 -4.470 6.126) 7.583 8.908 ( -0.000 1.458 -3.794) 4.065 9.191 ( -0.000 2.450 5.801) 6.297 9.320 ( -0.000 2.701 -6.242) 6.802 10.139 ( 0.000 -5.773 4.551) 7.351 10.217 ( 0.000 -0.005 -2.807) 2.807 ======================= Grid point 441 (136/171) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -1.174 -0.000 2.695) 2.940 0.865 ( -2.639 -0.000 -2.697) 3.773 1.251 ( 3.409 0.000 0.682) 3.477 1.269 ( 1.266 0.000 -0.969) 1.594 1.499 ( 7.080 0.000 0.278) 7.085 1.507 ( 7.416 0.000 -0.507) 7.433 2.250 ( 6.927 0.000 4.050) 8.024 2.344 ( 7.857 0.000 -4.553) 9.081 2.831 ( 8.603 0.000 0.849) 8.645 2.861 ( 4.876 0.000 -2.714) 5.580 3.169 ( -4.285 -0.000 6.257) 7.584 3.238 ( -6.984 -0.000 -2.342) 7.366 3.262 ( 5.648 0.000 10.038) 11.518 3.383 ( 0.559 0.000 -1.762) 1.849 3.817 ( 1.291 0.000 31.747) 31.773 4.277 ( 27.577 0.000 -2.039) 27.652 4.392 ( 29.468 0.000 -0.256) 29.469 4.617 ( 4.953 0.000 -28.346) 28.776 6.711 ( 1.649 0.000 3.653) 4.009 6.768 ( -1.227 -0.000 -2.143) 2.469 6.992 ( 0.335 0.000 1.386) 1.426 7.036 ( 0.625 0.000 -2.819) 2.888 7.339 ( -3.571 -0.000 3.521) 5.015 7.404 ( -1.658 -0.000 -2.502) 3.001 7.487 ( 14.744 0.000 3.784) 15.221 7.548 ( 7.800 0.000 -2.022) 8.058 7.998 ( -1.276 -0.000 2.770) 3.050 8.046 ( -0.845 -0.000 -2.707) 2.836 8.305 ( 3.483 0.000 3.926) 5.248 8.393 ( 6.377 0.000 -4.359) 7.724 8.848 ( 0.621 0.000 -0.580) 0.850 8.848 ( 1.793 0.000 -0.473) 1.854 8.982 ( 1.334 0.000 0.772) 1.542 8.987 ( 0.746 0.000 0.231) 0.781 9.495 ( -5.084 -0.000 19.291) 19.950 9.869 ( -1.829 -0.000 -14.569) 14.683 ======================= Grid point 442 (137/171) ======================= q-point: ( 0.21 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -1.220 -0.095 1.519) 1.951 0.814 ( -2.475 -0.191 -1.441) 2.870 1.283 ( 0.292 0.203 0.332) 0.487 1.293 ( 1.051 0.178 -0.603) 1.225 1.620 ( 5.356 0.436 0.318) 5.383 1.629 ( 5.321 0.385 -0.577) 5.366 2.369 ( 4.384 -0.169 4.616) 6.369 2.474 ( 4.866 -0.137 -5.288) 7.187 2.877 ( -5.203 -0.038 0.375) 5.217 2.891 ( -6.285 0.047 -0.572) 6.311 3.103 ( 3.213 0.086 1.200) 3.430 3.121 ( -2.008 0.148 -1.285) 2.389 3.358 ( 3.214 0.007 4.979) 5.926 3.370 ( -1.782 0.006 1.868) 2.582 3.836 ( 0.840 0.033 36.882) 36.891 4.587 ( 5.594 0.101 -30.076) 30.592 4.864 ( 18.363 0.220 -0.729) 18.379 4.886 ( 20.380 0.046 -1.278) 20.420 6.708 ( -1.042 0.380 0.783) 1.358 6.713 ( -3.256 0.451 -0.139) 3.290 6.962 ( -2.263 -0.404 -0.532) 2.359 6.965 ( -4.566 -0.547 -0.878) 4.682 7.305 ( -0.108 -0.057 5.194) 5.195 7.402 ( 1.255 -0.280 -3.807) 4.018 7.710 ( 6.833 0.171 3.773) 7.807 7.781 ( 11.184 -0.026 -2.863) 11.545 7.997 ( 1.678 0.373 5.243) 5.518 8.053 ( 2.445 0.043 -1.385) 2.810 8.328 ( -0.560 0.113 5.269) 5.300 8.455 ( 0.205 0.232 -6.730) 6.738 8.885 ( 3.489 -0.180 1.197) 3.693 8.915 ( 4.552 0.129 -1.585) 4.821 9.006 ( 0.930 0.585 0.685) 1.294 9.013 ( 0.877 -0.663 0.080) 1.102 9.427 ( -1.964 -0.037 21.697) 21.786 9.854 ( 0.134 -0.018 -16.733) 16.734 ======================= Grid point 443 (138/171) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -0.402 0.048 0.634) 0.753 0.777 ( -1.270 -0.552 -0.423) 1.448 1.279 ( -0.508 0.308 0.616) 0.856 1.294 ( -0.689 0.269 -0.770) 1.067 1.697 ( 2.913 1.255 0.805) 3.272 1.715 ( 3.453 -0.406 -0.933) 3.600 2.377 ( -4.012 -0.423 5.341) 6.693 2.488 ( -4.377 -0.421 -5.164) 6.783 2.748 ( -3.392 0.781 0.438) 3.508 2.756 ( -3.661 0.039 -0.297) 3.673 3.150 ( 3.046 0.216 2.413) 3.892 3.214 ( 5.696 0.108 -3.191) 6.530 3.319 ( -3.205 -0.074 3.653) 4.860 3.384 ( -0.345 -0.073 -1.411) 1.455 3.849 ( 0.496 0.083 41.650) 41.653 4.652 ( 1.957 0.192 -33.254) 33.312 5.145 ( 9.651 0.270 1.567) 9.781 5.171 ( 9.099 0.222 -0.834) 9.140 6.639 ( -3.783 0.859 1.293) 4.089 6.679 ( -1.794 0.534 -1.965) 2.714 6.916 ( -0.527 -1.061 0.644) 1.348 6.943 ( 0.160 -0.890 -1.907) 2.111 7.321 ( 1.306 0.169 6.324) 6.459 7.442 ( 2.164 -0.306 -4.747) 5.226 7.781 ( 1.102 0.730 4.234) 4.436 7.882 ( 0.888 -0.087 -5.159) 5.235 8.056 ( 3.610 0.342 9.381) 10.058 8.151 ( 5.902 0.165 -1.167) 6.019 8.303 ( -1.584 0.035 4.955) 5.202 8.430 ( -1.867 0.138 -7.188) 7.427 8.961 ( 3.299 0.049 2.246) 3.991 8.993 ( 2.509 0.536 -0.604) 2.635 9.008 ( 0.169 -0.484 0.443) 0.677 9.028 ( 0.710 -0.380 -1.197) 1.442 9.411 ( -0.039 -0.191 22.556) 22.557 9.865 ( 0.700 -0.083 -17.931) 17.945 ======================= Grid point 444 (139/171) ======================= q-point: ( 0.36 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.187 0.070 1.077) 1.096 0.781 ( 1.158 -0.070 -0.712) 1.361 1.265 ( -0.649 0.251 0.514) 0.865 1.276 ( -0.799 -0.238 -0.527) 0.986 1.714 ( -0.827 1.037 1.942) 2.351 1.751 ( -0.671 -0.932 -1.579) 1.953 2.318 ( 0.844 -0.062 5.284) 5.351 2.418 ( 0.287 -0.149 -4.127) 4.139 2.723 ( -0.642 0.044 -0.219) 0.679 2.729 ( -0.937 0.138 -0.676) 1.164 3.184 ( -0.884 -0.047 4.326) 4.416 3.274 ( -0.258 0.134 -2.173) 2.193 3.281 ( 0.308 -0.109 1.830) 1.859 3.373 ( 0.401 -0.014 -4.391) 4.409 3.852 ( -0.242 -0.009 43.620) 43.621 4.667 ( -0.308 0.089 -33.351) 33.353 5.231 ( -0.599 0.011 1.208) 1.349 5.249 ( -0.691 -0.023 -0.499) 0.853 6.575 ( -2.155 -0.153 2.295) 3.152 6.643 ( -1.379 -0.068 -3.707) 3.956 6.942 ( 2.278 -0.221 0.746) 2.407 6.969 ( 1.760 -0.257 -1.784) 2.519 7.338 ( 0.412 0.566 6.963) 6.998 7.473 ( 0.727 -0.060 -5.409) 5.458 7.771 ( -1.189 0.662 4.332) 4.540 7.878 ( -0.835 -0.624 -5.439) 5.538 8.091 ( -0.599 0.058 11.410) 11.426 8.209 ( -1.132 -0.236 -1.420) 1.831 8.289 ( 0.996 0.432 4.183) 4.322 8.406 ( -0.201 -0.007 -6.913) 6.916 8.973 ( -0.921 -0.096 3.638) 3.754 9.017 ( -0.052 -0.042 -0.700) 0.703 9.022 ( 0.800 -0.105 0.279) 0.854 9.050 ( 0.521 0.038 -2.325) 2.383 9.418 ( 0.598 0.026 22.429) 22.437 9.875 ( 0.248 0.004 -18.203) 18.205 ======================= Grid point 445 (140/171) ======================= q-point: (-0.57 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 1.048 0.265 1.891) 2.178 0.810 ( 1.826 0.660 -1.511) 2.461 1.257 ( -0.207 -0.360 0.551) 0.690 1.269 ( -0.271 -0.702 -0.585) 0.953 1.652 ( -5.022 -0.406 2.668) 5.701 1.698 ( -4.698 -0.814 -1.752) 5.080 2.409 ( 5.019 0.651 5.405) 7.405 2.514 ( 6.243 0.400 -4.422) 7.661 2.707 ( 1.138 -0.719 0.640) 1.490 2.731 ( 3.401 -0.726 -1.597) 3.827 3.133 ( -3.236 -0.350 2.549) 4.134 3.205 ( -5.658 -0.198 -3.749) 6.790 3.324 ( 2.844 0.114 3.788) 4.739 3.389 ( 0.135 0.086 -1.246) 1.256 3.842 ( -0.718 -0.182 41.493) 41.500 4.641 ( -2.294 -0.136 -33.016) 33.095 5.125 ( -10.396 -0.419 1.415) 10.500 5.150 ( -9.717 -0.540 -0.933) 9.777 6.569 ( 1.181 -1.594 2.336) 3.065 6.635 ( 0.335 -0.995 -3.447) 3.604 6.991 ( 2.916 1.388 0.037) 3.230 7.002 ( 1.687 1.027 -0.903) 2.172 7.332 ( -0.314 0.974 6.937) 7.012 7.470 ( -0.742 0.580 -5.902) 5.977 7.741 ( -1.798 -0.375 5.370) 5.676 7.863 ( -1.408 -1.069 -6.068) 6.321 8.032 ( -4.855 -0.434 9.819) 10.962 8.131 ( -6.176 -0.494 -1.247) 6.320 8.313 ( 1.156 0.447 4.358) 4.531 8.419 ( 0.981 -0.256 -5.827) 5.914 8.947 ( -2.142 -0.369 3.812) 4.388 8.997 ( -2.073 0.610 -1.018) 2.389 9.019 ( -0.881 -0.023 0.009) 0.881 9.039 ( -1.273 -0.141 -1.938) 2.323 9.427 ( 0.281 0.375 21.805) 21.810 9.872 ( -0.580 0.159 -17.779) 17.789 ======================= Grid point 446 (141/171) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 1.273 0.362 2.230) 2.593 0.841 ( 1.644 0.710 -1.966) 2.659 1.255 ( -0.440 -0.786 0.398) 0.985 1.266 ( -0.720 -0.804 -0.627) 1.248 1.538 ( -7.145 -2.413 2.904) 8.081 1.591 ( -6.544 -0.937 -2.132) 6.946 2.390 ( -5.407 0.503 4.658) 7.154 2.489 ( -6.295 0.254 -4.525) 7.757 2.872 ( 9.554 -0.370 0.791) 9.594 2.891 ( 7.850 0.136 -1.182) 7.940 3.091 ( -4.101 -0.293 0.603) 4.156 3.100 ( 1.797 -0.559 -1.146) 2.204 3.358 ( -3.178 0.021 4.551) 5.550 3.368 ( 1.235 -0.097 1.921) 2.286 3.829 ( -0.597 -0.219 36.670) 36.676 4.576 ( -5.421 -0.240 -29.708) 30.200 4.840 ( -18.192 -0.514 -0.213) 18.201 4.871 ( -19.271 -0.594 -2.176) 19.403 6.630 ( 3.682 -2.329 1.290) 4.544 6.662 ( 1.522 -1.406 -1.175) 2.382 7.024 ( 1.386 1.701 0.422) 2.235 7.040 ( 3.084 1.995 -1.151) 3.849 7.329 ( 0.928 1.334 5.883) 6.103 7.447 ( -0.883 1.274 -5.200) 5.426 7.687 ( -5.116 -0.564 4.784) 7.027 7.780 ( -9.961 -0.247 -3.687) 10.625 7.947 ( -2.902 -1.359 6.672) 7.402 8.030 ( -2.418 -1.003 -2.571) 3.669 8.321 ( -0.546 -0.023 4.746) 4.777 8.426 ( -1.076 -0.711 -4.982) 5.146 8.889 ( -3.975 -0.101 3.523) 5.312 8.935 ( -3.082 1.477 -0.973) 3.553 8.991 ( -1.927 -0.362 0.245) 1.976 9.015 ( -1.441 -0.875 -1.717) 2.406 9.432 ( 0.897 0.157 21.069) 21.089 9.857 ( -0.556 0.089 -16.891) 16.901 ======================= Grid point 447 (142/171) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 1.106 0.208 2.389) 2.641 0.868 ( 1.405 -0.042 -2.286) 2.684 1.234 ( -3.268 -0.140 0.994) 3.418 1.247 ( -0.938 -0.800 -0.354) 1.283 1.413 ( -6.894 -3.680 1.828) 8.026 1.459 ( -7.518 -1.441 -2.291) 7.990 2.253 ( -7.729 0.043 3.896) 8.656 2.340 ( -8.481 -0.341 -3.957) 9.364 2.847 ( -8.199 0.597 1.795) 8.415 2.889 ( -4.603 0.966 -3.028) 5.594 3.166 ( 5.283 -0.123 6.573) 8.434 3.243 ( 8.357 0.221 -2.365) 8.688 3.265 ( -4.824 0.118 8.637) 9.894 3.377 ( -0.569 -0.145 -1.955) 2.041 3.818 ( -0.998 -0.037 31.485) 31.501 4.269 ( -27.080 -0.244 -1.998) 27.154 4.403 ( -27.401 0.454 -0.644) 27.412 4.620 ( -3.746 0.052 -27.615) 27.868 6.681 ( -0.979 -1.125 2.320) 2.758 6.713 ( 1.882 -2.151 -1.149) 3.080 7.027 ( -1.363 1.332 1.425) 2.379 7.065 ( -2.473 0.953 -2.026) 3.336 7.358 ( 2.242 0.993 3.301) 4.112 7.426 ( -1.741 0.893 -2.657) 3.300 7.502 ( -12.797 0.372 2.425) 13.030 7.537 ( -8.951 -0.427 -0.773) 8.994 7.958 ( 2.404 -1.745 4.411) 5.318 8.046 ( 2.362 -0.234 -4.371) 4.973 8.280 ( -3.940 -0.573 3.718) 5.447 8.365 ( -5.790 -0.695 -3.988) 7.065 8.792 ( -5.754 -1.239 7.320) 9.393 8.893 ( -0.568 1.388 -2.982) 3.338 8.967 ( -0.002 -0.178 1.059) 1.074 9.005 ( 0.747 -0.370 -2.081) 2.242 9.478 ( 3.878 -0.549 19.128) 19.524 9.863 ( 1.421 -0.188 -15.289) 15.356 ======================= Grid point 448 (143/171) ======================= q-point: (-0.36 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 0.413 0.036 2.691) 2.722 0.893 ( 0.584 -0.869 -2.806) 2.995 1.132 ( -6.640 -0.222 5.186) 8.427 1.222 ( -2.339 -0.303 -3.131) 3.920 1.311 ( -5.910 -1.686 -0.015) 6.146 1.329 ( -5.597 -1.433 -1.553) 5.983 2.108 ( -6.990 -0.617 3.383) 7.790 2.176 ( -8.282 -0.602 -2.139) 8.575 2.660 ( -10.302 0.890 3.400) 10.885 2.759 ( -8.097 1.225 -5.927) 10.109 3.076 ( -9.388 0.089 19.483) 21.628 3.271 ( 0.800 1.155 4.536) 4.749 3.344 ( -3.152 0.482 -6.432) 7.180 3.355 ( 3.161 0.506 -4.134) 5.229 3.662 ( -23.878 -0.029 7.139) 24.923 3.674 ( -31.477 0.080 1.988) 31.539 3.953 ( -8.319 2.121 22.764) 24.329 4.589 ( -0.086 1.085 -31.673) 31.692 6.522 ( -29.105 -1.446 0.304) 29.143 6.527 ( -20.908 -1.239 -0.196) 20.946 6.899 ( -4.452 -0.162 2.075) 4.914 6.940 ( -5.500 0.592 -1.764) 5.807 7.358 ( 2.208 -0.549 3.647) 4.298 7.432 ( 1.932 -1.149 1.520) 2.713 7.454 ( 1.134 -1.776 -3.783) 4.331 7.489 ( 5.472 -0.970 -1.944) 5.887 8.013 ( 1.219 -1.259 3.117) 3.576 8.081 ( -0.408 -0.058 -2.714) 2.745 8.194 ( -3.243 0.444 0.490) 3.310 8.222 ( -8.178 0.048 -1.929) 8.403 8.711 ( -3.058 -2.557 11.969) 12.615 8.882 ( -0.115 0.399 -5.158) 5.175 9.007 ( 4.275 1.300 1.915) 4.861 9.067 ( 5.812 1.213 -3.233) 6.760 9.588 ( 6.778 -1.407 17.083) 18.432 9.920 ( 4.283 -0.440 -12.866) 13.567 ======================= Grid point 449 (144/171) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -1.478 0.184 2.877) 3.240 0.869 ( -3.479 1.361 0.170) 3.740 1.037 ( -2.211 -1.076 3.572) 4.337 1.133 ( -6.491 -0.287 -4.180) 7.726 1.222 ( -4.035 1.180 0.571) 4.243 1.246 ( -2.722 1.138 -1.713) 3.412 2.000 ( -4.952 -1.566 3.766) 6.416 2.035 ( -6.194 -0.513 1.489) 6.392 2.425 ( -13.893 1.036 0.551) 13.942 2.545 ( -14.387 1.545 -8.669) 16.868 2.879 ( -10.138 0.740 27.692) 29.499 3.023 ( -25.238 0.549 2.514) 25.368 3.061 ( -26.694 1.162 -1.199) 26.746 3.289 ( -2.312 0.863 7.332) 7.736 3.310 ( -3.779 0.288 -12.349) 12.917 3.414 ( 1.267 0.361 -4.922) 5.095 3.922 ( 1.966 2.549 30.437) 30.606 4.584 ( -0.120 2.236 -31.406) 31.486 5.739 ( -45.779 -2.391 6.574) 46.311 5.921 ( -41.392 -3.680 -11.558) 43.133 6.848 ( -2.649 0.122 0.420) 2.684 6.862 ( -3.086 0.282 -0.965) 3.246 7.421 ( 2.950 -1.306 3.610) 4.841 7.486 ( 2.436 -2.453 0.089) 3.458 7.544 ( 5.661 -4.350 2.305) 7.502 7.644 ( 7.707 -3.827 -4.575) 9.746 7.982 ( -5.540 -1.832 1.509) 6.027 8.000 ( -6.361 -2.340 0.079) 6.778 8.093 ( -3.456 1.212 3.466) 5.042 8.191 ( 1.892 2.894 -5.324) 6.348 8.701 ( 0.499 -2.155 12.686) 12.877 8.888 ( 0.899 0.345 -5.574) 5.656 9.103 ( 6.019 2.428 3.290) 7.277 9.199 ( 8.119 2.937 -5.164) 10.061 9.750 ( 8.658 -2.818 15.510) 17.985 10.027 ( 6.062 -0.719 -9.898) 11.629 ======================= Grid point 450 (145/171) ======================= q-point: (-0.21 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -3.027 4.471 5.819) 7.938 0.816 ( -0.150 3.642 1.573) 3.970 0.990 ( -5.628 1.723 -1.719) 6.131 1.008 ( -5.092 1.234 -1.942) 5.588 1.161 ( 0.575 0.905 2.529) 2.747 1.223 ( 0.789 1.085 -3.076) 3.356 1.826 ( -14.462 1.214 11.834) 18.726 1.979 ( -1.430 -2.038 -0.300) 2.508 2.154 ( -14.520 0.304 -6.012) 15.719 2.188 ( -12.596 0.759 -7.407) 14.632 2.659 ( -10.908 0.943 6.909) 12.947 2.681 ( -9.839 0.215 -0.463) 9.853 2.721 ( -7.155 0.721 28.364) 29.261 3.255 ( -1.495 0.520 -16.059) 16.137 3.267 ( -0.203 0.892 9.023) 9.070 3.440 ( 1.194 0.042 -7.294) 7.391 3.986 ( 7.046 2.154 26.917) 27.907 4.500 ( -10.967 1.833 -18.501) 21.586 4.951 ( -32.390 -3.050 -2.861) 32.659 5.067 ( -41.870 -3.165 -12.873) 43.918 6.794 ( -2.542 0.296 0.316) 2.579 6.807 ( -2.102 -0.036 -0.925) 2.297 7.478 ( 1.781 -2.332 3.820) 4.816 7.542 ( 1.763 -2.423 -1.421) 3.316 7.684 ( 5.227 -6.330 5.784) 10.042 7.779 ( 2.950 -3.064 -2.796) 5.090 7.876 ( -5.559 -2.212 0.870) 6.045 7.910 ( -3.071 -4.848 -2.302) 6.183 8.059 ( -0.411 0.377 6.423) 6.447 8.201 ( 0.779 3.291 -7.198) 7.953 8.735 ( 1.318 -2.276 11.583) 11.878 8.908 ( 1.102 0.395 -5.295) 5.423 9.194 ( 4.294 3.132 4.786) 7.152 9.322 ( 5.722 4.245 -6.743) 9.810 9.941 ( 8.097 -5.551 12.540) 15.925 10.146 ( 5.126 -1.184 -6.644) 8.475 ======================= Grid point 451 (146/171) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -0.000 8.684 7.200) 11.281 0.832 ( -0.000 5.206 -4.313) 6.760 0.847 ( -0.000 3.863 7.581) 8.509 0.947 ( -0.000 1.031 -2.726) 2.915 1.190 ( 0.000 -1.163 1.321) 1.760 1.244 ( -0.000 0.461 -2.803) 2.840 1.618 ( -0.000 1.263 13.063) 13.124 1.894 ( -0.000 1.472 -12.291) 12.379 2.021 ( 0.000 -2.259 3.333) 4.027 2.126 ( 0.000 -0.582 -5.401) 5.433 2.550 ( -0.000 0.197 1.998) 2.008 2.591 ( -0.000 0.070 -1.817) 1.818 2.650 ( -0.000 1.199 36.540) 36.559 3.243 ( -0.000 0.305 -17.772) 17.774 3.264 ( -0.000 0.788 9.737) 9.768 3.453 ( -0.000 0.034 -8.238) 8.238 4.275 ( -0.000 0.524 1.172) 1.284 4.280 ( 0.000 -0.167 0.742) 0.760 4.285 ( 0.000 -2.739 20.617) 20.798 4.791 ( -0.000 1.339 -26.649) 26.683 6.765 ( -0.000 0.194 0.736) 0.761 6.787 ( 0.000 -0.219 -1.354) 1.372 7.509 ( 0.000 -2.385 3.862) 4.539 7.571 ( 0.000 -1.962 -1.436) 2.431 7.790 ( 0.000 -0.747 0.789) 1.087 7.800 ( 0.000 -7.630 7.020) 10.368 7.807 ( 0.000 -0.527 -0.718) 0.890 7.931 ( 0.000 -7.578 -4.880) 9.014 8.060 ( 0.000 -0.727 5.233) 5.283 8.191 ( -0.000 3.626 -7.274) 8.128 8.764 ( 0.000 -3.374 10.123) 10.670 8.918 ( -0.000 0.508 -4.953) 4.979 9.222 ( -0.000 3.325 5.395) 6.337 9.358 ( -0.000 4.386 -6.977) 8.241 10.069 ( 0.000 -7.499 8.582) 11.397 10.210 ( 0.000 -1.362 -4.605) 4.802 ======================= Grid point 456 (147/171) ======================= q-point: ( 0.21 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -0.177 -0.000 0.452) 0.485 0.774 ( -1.418 -0.000 -0.251) 1.440 1.281 ( -0.534 -0.000 0.605) 0.807 1.295 ( -0.765 -0.000 -0.760) 1.078 1.707 ( 3.259 0.000 0.042) 3.259 1.709 ( 2.894 0.000 -0.234) 2.903 2.375 ( -3.954 -0.000 5.321) 6.629 2.486 ( -4.289 -0.000 -5.198) 6.739 2.754 ( -3.761 -0.000 0.030) 3.761 2.754 ( -3.376 -0.000 0.186) 3.381 3.151 ( 3.026 0.000 2.399) 3.862 3.214 ( 5.700 0.000 -3.156) 6.515 3.319 ( -3.227 -0.000 3.639) 4.864 3.383 ( -0.361 -0.000 -1.421) 1.467 3.850 ( 0.484 0.000 41.667) 41.670 4.653 ( 1.936 0.000 -33.308) 33.364 5.147 ( 9.595 0.000 1.571) 9.723 5.172 ( 9.070 0.000 -0.786) 9.104 6.644 ( -3.988 -0.000 1.224) 4.172 6.682 ( -1.896 -0.000 -1.871) 2.664 6.910 ( -0.382 -0.000 0.658) 0.761 6.938 ( 0.266 0.000 -1.979) 1.997 7.322 ( 1.390 0.000 6.288) 6.440 7.440 ( 2.236 0.000 -4.512) 5.036 7.785 ( 1.152 0.000 3.974) 4.138 7.882 ( 0.793 0.000 -5.018) 5.081 8.057 ( 3.520 0.000 9.324) 9.966 8.151 ( 5.886 0.000 -1.120) 5.992 8.303 ( -1.578 -0.000 4.910) 5.157 8.431 ( -1.930 -0.000 -7.241) 7.494 8.961 ( 3.464 0.000 2.204) 4.106 8.997 ( 3.077 0.000 -1.229) 3.313 9.005 ( -0.633 -0.000 1.038) 1.215 9.026 ( 0.789 0.000 -1.112) 1.364 9.410 ( -0.019 -0.000 22.602) 22.602 9.864 ( 0.708 0.000 -17.940) 17.954 ======================= Grid point 457 (148/171) ======================= q-point: ( 0.29 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.193 0.033 1.023) 1.042 0.780 ( 1.486 -0.034 -0.656) 1.624 1.267 ( -0.669 0.198 0.262) 0.745 1.274 ( -1.138 -0.192 -0.305) 1.194 1.726 ( -1.139 1.165 0.880) 1.852 1.740 ( -0.729 -1.118 -0.511) 1.429 2.317 ( 1.053 -0.027 5.236) 5.340 2.417 ( 0.358 -0.066 -4.124) 4.140 2.724 ( -0.861 0.022 -0.165) 0.877 2.730 ( -1.106 0.058 -0.671) 1.295 3.184 ( -1.095 -0.021 4.328) 4.464 3.275 ( -0.579 0.085 -3.751) 3.796 3.280 ( 0.635 -0.074 3.365) 3.425 3.373 ( 0.500 -0.006 -4.381) 4.410 3.851 ( -0.302 -0.004 43.633) 43.634 4.668 ( -0.384 0.040 -33.429) 33.432 5.231 ( -0.749 0.005 1.219) 1.431 5.249 ( -0.863 -0.010 -0.438) 0.968 6.573 ( -2.676 -0.068 2.313) 3.538 6.643 ( -1.718 -0.031 -3.748) 4.124 6.940 ( 2.817 -0.095 0.698) 2.904 6.967 ( 2.189 -0.114 -1.801) 2.837 7.342 ( 0.558 0.257 6.975) 7.002 7.473 ( 0.854 -0.036 -4.790) 4.865 7.777 ( -1.421 0.328 3.536) 3.825 7.873 ( -1.074 -0.309 -5.120) 5.241 8.091 ( -0.751 0.025 11.375) 11.400 8.207 ( -1.314 -0.098 -1.257) 1.821 8.292 ( 1.143 0.187 3.878) 4.047 8.406 ( -0.251 -0.004 -6.829) 6.833 8.973 ( -1.140 -0.043 3.684) 3.857 9.016 ( -0.056 -0.019 -0.722) 0.724 9.021 ( 1.022 -0.046 0.337) 1.077 9.051 ( 0.612 0.016 -2.363) 2.441 9.419 ( 0.745 0.012 22.408) 22.420 9.876 ( 0.310 0.002 -18.200) 18.203 ======================= Grid point 458 (149/171) ======================= q-point: (-0.64 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 1.118 0.154 2.054) 2.344 0.816 ( 1.976 0.362 -1.640) 2.593 1.255 ( -0.471 -0.085 0.376) 0.609 1.263 ( -0.338 -0.507 -0.382) 0.719 1.650 ( -5.879 -0.087 2.558) 6.412 1.691 ( -4.472 -0.561 -1.424) 4.727 2.414 ( 5.247 0.354 5.353) 7.504 2.517 ( 6.708 0.180 -4.230) 7.932 2.702 ( 0.528 -0.366 0.516) 0.824 2.725 ( 3.268 -0.429 -1.671) 3.696 3.130 ( -3.247 -0.191 2.556) 4.137 3.203 ( -5.650 -0.110 -3.858) 6.843 3.325 ( 2.777 0.061 3.796) 4.704 3.389 ( 0.103 0.043 -1.212) 1.217 3.840 ( -0.765 -0.104 41.488) 41.495 4.640 ( -2.359 -0.054 -33.095) 33.179 5.122 ( -10.512 -0.226 1.367) 10.603 5.146 ( -9.860 -0.315 -0.820) 9.899 6.556 ( 0.792 -0.888 2.521) 2.788 6.627 ( 0.093 -0.557 -3.723) 3.765 7.002 ( 3.376 0.698 -0.120) 3.449 7.010 ( 2.084 0.512 -0.779) 2.283 7.342 ( -0.101 0.762 6.992) 7.034 7.474 ( -0.481 0.215 -5.160) 5.187 7.739 ( -2.175 0.012 4.570) 5.061 7.853 ( -1.400 -0.804 -5.916) 6.132 8.029 ( -5.067 -0.227 9.813) 11.046 8.127 ( -6.225 -0.270 -1.237) 6.353 8.317 ( 1.004 0.278 4.093) 4.223 8.416 ( 0.837 -0.145 -5.481) 5.546 8.944 ( -2.039 -0.194 4.161) 4.637 9.004 ( -1.461 0.575 -1.293) 2.034 9.018 ( -1.080 -0.202 0.008) 1.099 9.037 ( -1.698 -0.173 -1.984) 2.617 9.430 ( 0.313 0.211 21.658) 21.661 9.873 ( -0.558 0.089 -17.749) 17.758 ======================= Grid point 459 (150/171) ======================= q-point: (-0.57 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 1.224 0.245 2.393) 2.699 0.847 ( 1.421 0.482 -2.088) 2.571 1.248 ( -0.516 -0.556 0.406) 0.860 1.259 ( -0.528 -0.557 -0.631) 0.994 1.517 ( -7.947 -1.694 3.745) 8.947 1.583 ( -6.689 -0.643 -2.564) 7.193 2.395 ( -5.673 0.330 4.597) 7.309 2.491 ( -6.669 0.123 -4.332) 7.953 2.868 ( 10.428 -0.295 0.985) 10.479 2.893 ( 8.567 0.093 -1.442) 8.688 3.088 ( -4.333 -0.190 0.463) 4.361 3.095 ( 1.709 -0.378 -1.119) 2.078 3.358 ( -3.279 0.028 4.460) 5.536 3.367 ( 1.232 -0.086 1.921) 2.284 3.827 ( -0.560 -0.166 36.663) 36.668 4.574 ( -5.412 -0.136 -29.748) 30.237 4.835 ( -17.937 -0.303 -0.460) 17.946 4.865 ( -19.164 -0.471 -1.920) 19.266 6.610 ( 3.719 -1.622 1.614) 4.366 6.650 ( 1.536 -0.985 -1.613) 2.435 7.039 ( 1.354 1.158 0.599) 1.880 7.058 ( 2.807 1.284 -1.163) 3.299 7.344 ( 1.085 1.323 5.767) 6.016 7.458 ( -0.843 0.740 -4.925) 5.051 7.682 ( -4.743 -0.302 4.716) 6.695 7.777 ( -9.364 -0.302 -3.871) 10.137 7.935 ( -3.414 -0.946 6.774) 7.644 8.020 ( -2.585 -0.775 -2.686) 3.808 8.321 ( -0.794 0.029 4.552) 4.621 8.420 ( -1.179 -0.454 -4.446) 4.622 8.889 ( -3.961 0.003 4.487) 5.985 8.951 ( -2.727 1.629 -1.140) 3.375 8.987 ( -2.152 -0.413 -0.267) 2.207 9.004 ( -1.725 -1.180 -1.868) 2.803 9.434 ( 0.640 0.110 20.933) 20.943 9.858 ( -0.656 0.064 -16.928) 16.941 ======================= Grid point 460 (151/171) ======================= q-point: (-0.50 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.899 0.051 2.275) 2.446 0.867 ( 0.854 -0.118 -2.189) 2.353 1.235 ( -2.591 0.390 0.601) 2.688 1.239 ( -0.730 -0.640 -0.035) 0.971 1.376 ( -7.141 -3.435 3.053) 8.492 1.446 ( -7.737 -1.193 -3.160) 8.442 2.254 ( -7.963 0.005 3.784) 8.816 2.336 ( -8.723 -0.357 -3.701) 9.482 2.852 ( -8.039 0.500 2.082) 8.319 2.898 ( -4.505 0.773 -3.106) 5.527 3.165 ( 5.565 -0.106 6.704) 8.713 3.245 ( 8.914 0.199 -2.608) 9.290 3.266 ( -4.563 0.129 8.370) 9.534 3.376 ( -0.455 -0.084 -2.029) 2.081 3.818 ( -0.920 -0.074 31.480) 31.493 4.267 ( -26.919 -0.184 -1.952) 26.991 4.407 ( -26.757 0.404 -0.835) 26.773 4.620 ( -3.323 0.027 -27.407) 27.607 6.671 ( -0.743 -0.907 1.792) 2.142 6.692 ( 2.102 -1.845 -0.726) 2.890 7.040 ( -1.629 1.167 1.371) 2.428 7.073 ( -3.143 0.662 -1.581) 3.580 7.369 ( 1.387 1.034 2.934) 3.407 7.435 ( -1.952 0.808 -2.854) 3.551 7.504 ( -12.887 0.127 2.228) 13.079 7.533 ( -9.504 -0.292 -0.298) 9.513 7.941 ( 2.566 -1.629 4.998) 5.850 8.043 ( 3.003 -0.310 -5.070) 5.901 8.276 ( -3.972 -0.306 3.664) 5.413 8.359 ( -5.467 -0.401 -3.777) 6.657 8.781 ( -6.578 -0.847 9.313) 11.433 8.907 ( -1.184 1.337 -3.223) 3.685 8.966 ( 0.631 -0.137 0.615) 0.891 8.999 ( 1.344 -0.717 -2.294) 2.754 9.473 ( 3.528 -0.420 19.071) 19.399 9.861 ( 1.290 -0.143 -15.513) 15.567 ======================= Grid point 461 (152/171) ======================= q-point: (-0.43 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.181 -0.391 2.213) 2.254 0.882 ( 0.299 -1.123 -2.455) 2.716 1.136 ( -6.251 1.162 5.187) 8.205 1.220 ( -1.939 0.014 -2.512) 3.173 1.292 ( -4.497 -2.091 -0.298) 4.968 1.313 ( -5.166 -1.759 -1.997) 5.811 2.102 ( -7.425 -0.531 3.391) 8.180 2.169 ( -8.418 -0.742 -2.090) 8.706 2.670 ( -10.115 0.890 3.960) 10.899 2.771 ( -7.961 1.106 -5.829) 9.929 3.076 ( -9.216 0.049 18.816) 20.952 3.283 ( 1.303 1.193 4.589) 4.917 3.343 ( -1.874 -0.325 -7.264) 7.509 3.366 ( 2.340 1.333 -3.410) 4.345 3.662 ( -23.390 0.041 7.410) 24.536 3.674 ( -31.449 0.042 2.152) 31.523 3.973 ( -8.087 1.848 22.207) 23.706 4.600 ( 0.532 0.962 -31.320) 31.340 6.507 ( -30.138 -1.386 0.181) 30.170 6.514 ( -20.564 -1.183 -0.439) 20.603 6.897 ( -4.639 -0.104 2.500) 5.270 6.946 ( -5.943 0.519 -2.055) 6.310 7.352 ( 1.935 -0.530 3.668) 4.181 7.415 ( -1.176 -2.018 3.495) 4.203 7.442 ( 2.046 -0.619 -4.950) 5.392 7.479 ( 3.873 -0.989 -2.529) 4.730 7.999 ( 1.215 -1.392 4.136) 4.530 8.078 ( -1.856 -0.528 -2.548) 3.196 8.201 ( -1.471 0.919 -0.330) 1.766 8.224 ( -7.492 0.309 -2.061) 7.777 8.689 ( -2.807 -1.700 14.891) 15.249 8.886 ( -0.389 0.322 -4.905) 4.931 9.020 ( 4.872 1.132 1.213) 5.147 9.078 ( 6.616 0.793 -3.604) 7.576 9.574 ( 6.325 -1.176 17.182) 18.347 9.916 ( 4.157 -0.397 -13.349) 13.987 ======================= Grid point 462 (153/171) ======================= q-point: (-0.36 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -0.982 -0.074 2.466) 2.655 0.879 ( -1.201 0.307 -1.860) 2.236 1.034 ( -2.772 0.731 4.855) 5.638 1.131 ( -6.143 -0.025 -3.891) 7.272 1.232 ( -1.986 0.773 0.457) 2.180 1.257 ( -2.040 0.941 -1.739) 2.841 1.984 ( -5.105 -1.463 3.800) 6.530 2.028 ( -6.425 -0.945 1.100) 6.587 2.437 ( -13.804 1.314 1.332) 13.931 2.561 ( -14.144 1.546 -8.431) 16.539 2.886 ( -9.602 0.634 26.547) 28.238 3.029 ( -25.637 0.628 2.550) 25.771 3.074 ( -27.333 1.353 -0.986) 27.384 3.298 ( -1.868 0.851 6.913) 7.211 3.313 ( -3.391 0.204 -12.342) 12.801 3.418 ( 1.016 0.446 -4.580) 4.713 3.948 ( 2.241 2.509 30.677) 30.861 4.608 ( 0.499 2.317 -30.999) 31.090 5.714 ( -46.373 -2.421 6.034) 46.826 5.881 ( -43.061 -3.977 -10.650) 44.536 6.850 ( -2.484 0.255 0.534) 2.554 6.865 ( -3.087 0.181 -0.918) 3.226 7.407 ( 2.025 -1.618 4.206) 4.941 7.452 ( 2.371 -3.792 4.949) 6.670 7.509 ( 4.288 -2.382 -1.781) 5.218 7.603 ( 6.471 -4.007 -5.304) 9.277 7.965 ( -5.540 -1.532 1.857) 6.041 7.978 ( -6.727 -1.904 0.515) 7.011 8.105 ( -3.392 1.118 4.424) 5.686 8.218 ( 1.991 2.302 -5.702) 6.464 8.687 ( 1.350 -0.664 14.898) 14.974 8.890 ( 0.873 0.164 -5.127) 5.204 9.126 ( 6.352 1.980 2.956) 7.280 9.228 ( 9.008 2.671 -5.905) 11.097 9.722 ( 7.724 -2.475 16.039) 17.973 10.019 ( 5.804 -0.775 -10.774) 12.263 ======================= Grid point 463 (154/171) ======================= q-point: (-0.29 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -0.204 3.871 3.312) 5.099 0.854 ( 0.570 3.499 -0.162) 3.549 0.997 ( -2.975 -0.059 -0.682) 3.053 1.019 ( -4.799 0.954 -1.517) 5.123 1.186 ( -0.093 3.742 2.320) 4.404 1.237 ( 0.757 1.754 -2.356) 3.033 1.838 ( -13.303 1.042 11.242) 17.448 1.956 ( -1.263 -2.309 0.986) 2.811 2.159 ( -12.770 0.617 -6.045) 14.141 2.198 ( -15.908 1.033 -8.252) 17.950 2.669 ( -11.699 0.836 3.243) 12.169 2.684 ( -10.107 0.236 -0.418) 10.119 2.730 ( -6.237 1.021 31.235) 31.868 3.261 ( -1.558 0.533 -16.419) 16.501 3.277 ( -0.299 0.894 8.898) 8.948 3.440 ( 1.026 -0.104 -6.769) 6.847 4.010 ( 6.305 2.402 27.776) 28.584 4.520 ( -12.592 2.154 -16.884) 21.173 4.919 ( -34.149 -3.006 -2.968) 34.409 5.030 ( -37.222 -3.966 -12.606) 39.498 6.797 ( -2.508 0.361 0.173) 2.539 6.807 ( -2.353 -0.012 -0.740) 2.467 7.450 ( 1.151 -3.206 4.747) 5.843 7.512 ( 1.665 -3.264 0.296) 3.677 7.620 ( 4.415 -5.576 5.363) 8.908 7.737 ( 4.259 -4.883 -4.605) 7.949 7.854 ( -5.586 -1.874 0.635) 5.927 7.872 ( -4.815 -2.730 -0.686) 5.578 8.065 ( -0.817 0.742 8.093) 8.167 8.231 ( 0.625 2.418 -7.510) 7.914 8.722 ( 1.608 -0.136 13.231) 13.329 8.910 ( 1.008 0.128 -4.985) 5.088 9.225 ( 4.489 2.725 4.908) 7.188 9.366 ( 6.226 4.205 -7.698) 10.756 9.887 ( 6.613 -4.947 14.337) 16.546 10.132 ( 4.691 -1.470 -8.096) 9.471 ======================= Grid point 464 (155/171) ======================= q-point: (-0.21 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -0.000 7.097 3.910) 8.103 0.887 ( -0.000 4.673 -5.677) 7.353 0.891 ( -0.000 4.423 5.204) 6.830 0.958 ( -0.000 1.249 -1.839) 2.223 1.191 ( -0.000 1.785 3.142) 3.614 1.251 ( -0.000 1.017 -2.232) 2.453 1.633 ( -0.000 1.617 13.491) 13.588 1.912 ( -0.000 1.830 -12.196) 12.332 1.995 ( 0.000 -2.808 3.963) 4.857 2.119 ( 0.000 -0.742 -6.925) 6.964 2.553 ( -0.000 0.248 1.929) 1.945 2.592 ( -0.000 0.084 -1.743) 1.745 2.664 ( -0.000 1.469 35.845) 35.875 3.246 ( -0.000 0.352 -17.910) 17.914 3.272 ( -0.000 0.779 9.528) 9.560 3.452 ( 0.000 -0.187 -7.731) 7.733 4.256 ( 0.000 -2.732 24.001) 24.156 4.278 ( 0.000 -0.203 1.125) 1.143 4.282 ( -0.000 0.655 0.769) 1.010 4.805 ( -0.000 1.341 -27.530) 27.563 6.767 ( -0.000 0.264 0.492) 0.559 6.785 ( 0.000 -0.264 -1.141) 1.171 7.479 ( 0.000 -3.351 4.341) 5.484 7.545 ( 0.000 -3.024 -1.171) 3.243 7.715 ( 0.000 -8.249 8.448) 11.807 7.782 ( 0.000 -0.903 0.872) 1.256 7.800 ( 0.000 -0.711 -0.837) 1.099 7.853 ( 0.000 -7.513 -5.003) 9.026 8.057 ( -0.000 0.079 7.592) 7.593 8.223 ( -0.000 2.647 -7.902) 8.334 8.742 ( 0.000 -0.924 12.300) 12.335 8.921 ( -0.000 0.116 -5.037) 5.038 9.255 ( -0.000 3.163 5.541) 6.380 9.406 ( -0.000 4.802 -7.938) 9.278 9.993 ( 0.000 -7.088 11.970) 13.911 10.192 ( 0.000 -1.967 -6.334) 6.632 ======================= Grid point 471 (156/171) ======================= q-point: (-0.71 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 1.142 0.000 2.111) 2.400 0.818 ( 2.030 0.000 -1.683) 2.637 1.255 ( -0.658 -0.000 0.250) 0.704 1.260 ( -0.272 -0.000 -0.247) 0.367 1.650 ( -6.281 -0.000 2.478) 6.752 1.688 ( -4.297 -0.000 -1.262) 4.479 2.416 ( 5.334 0.000 5.329) 7.540 2.518 ( 6.883 0.000 -4.156) 8.041 2.700 ( 0.289 0.000 0.462) 0.545 2.723 ( 3.218 0.000 -1.688) 3.634 3.129 ( -3.249 -0.000 2.557) 4.135 3.203 ( -5.647 -0.000 -3.898) 6.862 3.326 ( 2.753 0.000 3.798) 4.691 3.390 ( 0.092 0.000 -1.199) 1.203 3.840 ( -0.782 -0.000 41.487) 41.495 4.640 ( -2.382 -0.000 -33.133) 33.219 5.121 ( -10.552 -0.000 1.347) 10.637 5.144 ( -9.914 -0.000 -0.769) 9.944 6.551 ( 0.659 0.000 2.586) 2.669 6.624 ( 0.009 0.000 -3.821) 3.821 7.005 ( 3.538 0.000 -0.177) 3.542 7.012 ( 2.231 0.000 -0.740) 2.351 7.346 ( -0.007 -0.000 6.994) 6.994 7.475 ( -0.402 -0.000 -4.769) 4.786 7.739 ( -2.329 -0.000 4.148) 4.757 7.849 ( -1.388 -0.000 -5.820) 5.983 8.028 ( -5.142 -0.000 9.805) 11.071 8.126 ( -6.242 -0.000 -1.236) 6.364 8.319 ( 0.945 0.000 3.991) 4.101 8.416 ( 0.788 0.000 -5.349) 5.407 8.943 ( -1.998 -0.000 4.288) 4.730 9.007 ( -0.971 -0.000 -1.612) 1.882 9.017 ( -1.384 -0.000 0.208) 1.400 9.036 ( -1.889 -0.000 -1.982) 2.738 9.431 ( 0.323 0.000 21.605) 21.607 9.873 ( -0.550 -0.000 -17.738) 17.747 ======================= Grid point 473 (157/171) ======================= q-point: (-0.64 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 1.186 0.086 2.483) 2.753 0.850 ( 1.292 0.170 -2.155) 2.519 1.244 ( -0.582 -0.203 0.419) 0.745 1.255 ( -0.381 -0.198 -0.644) 0.773 1.505 ( -8.430 -0.609 4.235) 9.453 1.579 ( -6.774 -0.229 -2.799) 7.334 2.397 ( -5.824 0.115 4.548) 7.390 2.491 ( -6.879 0.033 -4.221) 8.071 2.866 ( 10.894 -0.112 1.093) 10.949 2.893 ( 9.007 0.031 -1.590) 9.146 3.087 ( -4.474 -0.065 0.391) 4.491 3.092 ( 1.665 -0.133 -1.109) 2.005 3.358 ( -3.388 0.014 4.421) 5.570 3.367 ( 1.286 -0.035 1.910) 2.303 3.826 ( -0.542 -0.062 36.667) 36.671 4.573 ( -5.413 -0.042 -29.794) 30.281 4.833 ( -17.753 -0.096 -0.682) 17.766 4.862 ( -19.139 -0.182 -1.675) 19.213 6.598 ( 3.721 -0.580 1.796) 4.173 6.643 ( 1.543 -0.353 -1.856) 2.439 7.047 ( 1.373 0.411 0.678) 1.585 7.066 ( 2.655 0.433 -1.132) 2.918 7.354 ( 1.170 0.586 5.574) 5.725 7.462 ( -0.821 0.198 -4.490) 4.568 7.681 ( -4.582 -0.072 4.504) 6.425 7.774 ( -8.943 -0.146 -3.968) 9.785 7.929 ( -3.737 -0.338 6.802) 7.768 8.014 ( -2.723 -0.291 -2.733) 3.869 8.321 ( -0.926 0.018 4.441) 4.536 8.417 ( -1.217 -0.155 -4.136) 4.314 8.889 ( -3.925 0.020 5.058) 6.402 8.967 ( -2.438 1.574 -1.103) 3.104 8.981 ( -2.271 -0.933 -0.806) 2.584 8.994 ( -2.008 -0.656 -1.871) 2.822 9.435 ( 0.498 0.039 20.860) 20.866 9.858 ( -0.711 0.023 -16.947) 16.962 ======================= Grid point 474 (158/171) ======================= q-point: (-0.57 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.689 -0.023 2.200) 2.306 0.866 ( 0.424 -0.100 -2.137) 2.181 1.234 ( -0.623 -0.363 0.241) 0.760 1.242 ( -1.331 0.668 -0.331) 1.526 1.345 ( -7.949 -2.338 4.518) 9.438 1.436 ( -7.910 -0.677 -3.769) 8.788 2.254 ( -8.122 -0.008 3.693) 8.922 2.333 ( -8.895 -0.229 -3.507) 9.564 2.856 ( -7.921 0.285 2.274) 8.246 2.904 ( -4.439 0.428 -3.152) 5.461 3.164 ( 5.748 -0.061 6.798) 8.902 3.246 ( 9.261 0.115 -2.785) 9.672 3.267 ( -4.327 0.087 8.185) 9.259 3.376 ( -0.325 -0.032 -2.090) 2.115 3.817 ( -0.871 -0.058 31.504) 31.516 4.265 ( -26.809 -0.097 -1.910) 26.877 4.411 ( -26.325 0.239 -0.987) 26.345 4.620 ( -3.022 0.010 -27.271) 27.438 6.664 ( -0.656 -0.462 1.386) 1.602 6.677 ( 2.320 -1.107 -0.388) 2.600 7.050 ( -1.727 0.713 1.268) 2.258 7.078 ( -3.658 0.291 -1.161) 3.849 7.378 ( 0.463 0.685 2.543) 2.674 7.442 ( -1.401 0.509 -3.193) 3.524 7.504 ( -13.403 -0.062 2.413) 13.619 7.531 ( -9.938 -0.108 -0.003) 9.938 7.927 ( 2.654 -0.991 5.441) 6.134 8.040 ( 3.446 -0.226 -5.610) 6.587 8.274 ( -3.935 -0.110 3.621) 5.349 8.356 ( -5.214 -0.166 -3.606) 6.342 8.775 ( -7.126 -0.422 10.670) 12.837 8.919 ( -2.023 0.909 -3.295) 3.972 8.965 ( 1.360 -0.018 0.187) 1.373 8.991 ( 1.897 -0.687 -2.396) 3.132 9.469 ( 3.296 -0.226 19.033) 19.318 9.860 ( 1.199 -0.076 -15.664) 15.710 ======================= Grid point 475 (159/171) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -0.053 -0.466 1.815) 1.875 0.871 ( -0.129 -1.016 -2.186) 2.414 1.154 ( -5.716 2.205 4.781) 7.771 1.222 ( -1.230 0.330 -1.502) 1.970 1.268 ( -2.765 -2.510 -0.492) 3.767 1.295 ( -5.653 -1.521 -2.631) 6.418 2.098 ( -7.716 -0.352 3.345) 8.417 2.162 ( -8.611 -0.623 -1.938) 8.849 2.678 ( -9.932 0.657 4.369) 10.871 2.781 ( -7.852 0.764 -5.737) 9.754 3.077 ( -9.087 0.016 18.324) 20.453 3.294 ( 1.792 0.931 4.615) 5.038 3.340 ( -1.275 -0.303 -7.124) 7.243 3.379 ( 2.082 1.053 -3.663) 4.343 3.662 ( -22.931 0.075 7.646) 24.172 3.675 ( -31.519 0.004 2.323) 31.604 3.989 ( -7.912 1.243 21.734) 23.163 4.608 ( 1.036 0.656 -31.067) 31.091 6.494 ( -30.366 -0.999 0.095) 30.382 6.503 ( -20.902 -0.864 -0.640) 20.929 6.897 ( -4.796 -0.045 2.817) 5.562 6.950 ( -6.323 0.351 -2.271) 6.728 7.347 ( 1.690 -0.396 3.639) 4.031 7.395 ( -2.849 -1.703 3.529) 4.844 7.439 ( 1.673 -0.051 -4.405) 4.712 7.469 ( 2.897 -0.795 -2.832) 4.129 7.986 ( 1.314 -1.070 4.928) 5.212 8.072 ( -2.831 -0.560 -2.417) 3.764 8.211 ( -0.315 0.872 -1.161) 1.486 8.228 ( -7.014 0.291 -2.108) 7.329 8.676 ( -2.383 -0.911 17.150) 17.339 8.889 ( -0.611 0.232 -4.505) 4.552 9.030 ( 5.186 0.789 0.624) 5.283 9.084 ( 7.367 0.397 -3.917) 8.353 9.564 ( 5.998 -0.770 17.230) 18.261 9.912 ( 4.046 -0.275 -13.720) 14.307 ======================= Grid point 476 (160/171) ======================= q-point: (-0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -0.074 -0.070 1.658) 1.661 0.873 ( -0.248 -1.238 -2.511) 2.811 1.052 ( -3.106 2.541 4.454) 5.995 1.132 ( -5.997 0.220 -3.194) 6.798 1.238 ( -0.317 0.512 0.449) 0.751 1.263 ( -0.594 0.268 -1.722) 1.841 1.971 ( -5.347 -0.987 3.694) 6.573 2.017 ( -6.655 -1.204 1.036) 6.842 2.451 ( -13.610 1.213 1.935) 13.801 2.576 ( -13.921 1.241 -8.187) 16.198 2.892 ( -9.210 0.422 25.658) 27.264 3.035 ( -26.144 0.591 2.450) 26.266 3.087 ( -27.755 1.189 -0.771) 27.791 3.306 ( -1.469 0.697 6.252) 6.460 3.314 ( -2.990 0.103 -11.955) 12.323 3.423 ( 0.687 0.445 -4.375) 4.451 3.971 ( 2.504 1.977 30.916) 31.080 4.630 ( 1.156 1.922 -30.710) 30.792 5.691 ( -46.877 -1.959 5.484) 47.237 5.843 ( -44.644 -3.389 -9.662) 45.803 6.853 ( -2.320 0.349 0.486) 2.396 6.866 ( -3.083 0.022 -0.753) 3.174 7.386 ( 0.449 -2.451 7.018) 7.447 7.419 ( 3.036 -2.347 5.187) 6.452 7.492 ( 3.409 -1.153 -3.682) 5.148 7.564 ( 5.241 -3.348 -5.795) 8.501 7.951 ( -5.356 -1.093 2.076) 5.847 7.961 ( -6.905 -1.394 0.687) 7.078 8.116 ( -3.359 0.875 5.189) 6.243 8.238 ( 1.878 1.563 -5.874) 6.362 8.686 ( 2.323 0.287 16.284) 16.451 8.892 ( 0.814 0.074 -4.397) 4.472 9.143 ( 6.573 1.365 2.791) 7.270 9.252 ( 9.767 1.990 -6.562) 11.933 9.700 ( 7.035 -1.792 16.359) 17.898 10.011 ( 5.554 -0.644 -11.486) 12.775 ======================= Grid point 477 (161/171) ======================= q-point: (-0.36 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 1.356 2.397 1.441) 3.108 0.878 ( 1.084 0.881 -2.318) 2.707 1.000 ( -2.187 1.001 1.488) 2.829 1.027 ( -4.370 0.684 -0.997) 4.534 1.230 ( 1.136 4.261 1.062) 4.536 1.260 ( 1.215 2.684 -1.596) 3.351 1.846 ( -11.687 0.487 10.493) 15.714 1.934 ( -1.386 -2.026 1.815) 3.053 2.166 ( -11.963 0.702 -6.045) 13.422 2.209 ( -18.470 1.072 -8.416) 20.326 2.676 ( -12.199 0.593 1.087) 12.261 2.686 ( -10.354 0.181 -0.303) 10.360 2.742 ( -5.668 1.130 32.522) 33.031 3.266 ( -1.612 0.448 -16.684) 16.768 3.285 ( -0.463 0.743 8.651) 8.695 3.438 ( 0.758 -0.221 -6.245) 6.295 4.034 ( 5.612 2.180 28.756) 29.379 4.542 ( -14.602 2.039 -14.974) 21.014 4.892 ( -35.813 -2.198 -3.483) 36.049 4.988 ( -32.065 -4.103 -12.456) 34.644 6.801 ( -2.457 0.330 0.030) 2.480 6.807 ( -2.628 0.031 -0.574) 2.690 7.412 ( 0.421 -4.063 7.809) 8.813 7.480 ( 1.755 -2.664 2.002) 3.766 7.575 ( 3.564 -3.214 2.182) 5.272 7.684 ( 4.314 -5.216 -5.595) 8.782 7.837 ( -5.569 -1.418 0.726) 5.792 7.851 ( -5.154 -1.461 -0.199) 5.361 8.073 ( -1.018 0.826 9.289) 9.381 8.251 ( 0.469 1.632 -7.387) 7.580 8.729 ( 2.026 1.273 13.706) 13.913 8.911 ( 0.936 -0.022 -4.141) 4.245 9.250 ( 4.663 2.058 5.237) 7.308 9.406 ( 6.648 3.452 -8.547) 11.365 9.842 ( 5.535 -3.747 15.487) 16.868 10.117 ( 4.290 -1.343 -9.299) 10.328 ======================= Grid point 478 (162/171) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.000 4.276 2.096) 4.762 0.915 ( -0.000 0.698 -5.332) 5.377 0.935 ( -0.000 4.037 2.891) 4.966 0.971 ( -0.000 1.216 -0.928) 1.530 1.232 ( -0.000 5.731 2.276) 6.166 1.269 ( -0.000 2.705 -1.448) 3.068 1.650 ( -0.000 1.665 13.938) 14.038 1.931 ( -0.000 1.822 -12.081) 12.218 1.966 ( 0.000 -2.677 4.600) 5.323 2.110 ( 0.000 -1.201 -8.221) 8.308 2.555 ( -0.000 0.251 1.850) 1.867 2.593 ( -0.000 0.080 -1.658) 1.660 2.680 ( -0.000 1.481 35.080) 35.111 3.250 ( -0.000 0.324 -18.080) 18.083 3.279 ( -0.000 0.602 9.297) 9.317 3.449 ( 0.000 -0.450 -7.189) 7.203 4.231 ( 0.000 -2.097 27.182) 27.263 4.276 ( 0.000 -0.214 1.541) 1.556 4.289 ( -0.000 0.672 0.328) 0.748 4.818 ( -0.000 1.104 -28.172) 28.194 6.770 ( -0.000 0.290 0.215) 0.361 6.782 ( 0.000 -0.254 -0.897) 0.933 7.439 ( 0.000 -4.438 6.582) 7.938 7.512 ( 0.000 -3.107 0.119) 3.109 7.642 ( 0.000 -5.643 6.908) 8.920 7.773 ( 0.000 -0.884 0.930) 1.283 7.778 ( 0.000 -7.025 -5.422) 8.874 7.793 ( 0.000 -0.760 -0.933) 1.203 8.060 ( -0.000 0.583 9.232) 9.251 8.246 ( -0.000 1.854 -7.889) 8.104 8.743 ( -0.000 1.061 12.850) 12.894 8.921 ( 0.000 -0.029 -4.381) 4.381 9.285 ( -0.000 2.584 6.021) 6.552 9.453 ( -0.000 4.292 -8.870) 9.853 9.927 ( 0.000 -5.625 14.189) 15.263 10.172 ( 0.000 -1.933 -7.863) 8.097 ======================= Grid point 487 (163/171) ======================= q-point: (-0.64 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.601 0.000 2.176) 2.257 0.866 ( 0.259 0.000 -2.122) 2.137 1.232 ( -0.549 -0.000 0.337) 0.644 1.246 ( -0.457 -0.000 -1.070) 1.163 1.332 ( -8.674 -0.000 5.452) 10.245 1.432 ( -7.975 -0.000 -3.987) 8.917 2.254 ( -8.179 -0.000 3.658) 8.960 2.332 ( -8.957 -0.000 -3.434) 9.592 2.858 ( -7.878 -0.000 2.341) 8.219 2.907 ( -4.416 -0.000 -3.167) 5.434 3.164 ( 5.811 0.000 6.832) 8.969 3.247 ( 9.373 0.000 -2.845) 9.795 3.267 ( -4.229 -0.000 8.115) 9.151 3.375 ( -0.267 -0.000 -2.114) 2.131 3.817 ( -0.854 -0.000 31.518) 31.530 4.265 ( -26.769 -0.000 -1.893) 26.836 4.412 ( -26.175 -0.000 -1.046) 26.196 4.620 ( -2.913 -0.000 -27.225) 27.380 6.661 ( -0.756 -0.000 1.234) 1.447 6.671 ( 2.525 0.000 -0.259) 2.538 7.053 ( -1.722 -0.000 1.206) 2.103 7.080 ( -3.874 -0.000 -0.977) 3.995 7.381 ( 0.025 0.000 2.371) 2.371 7.444 ( -0.938 -0.000 -3.405) 3.532 7.504 ( -13.762 -0.000 2.612) 14.007 7.531 ( -10.106 -0.000 0.082) 10.106 7.922 ( 2.683 0.000 5.607) 6.215 8.039 ( 3.601 0.000 -5.812) 6.837 8.273 ( -3.908 -0.000 3.604) 5.316 8.355 ( -5.119 -0.000 -3.541) 6.225 8.773 ( -7.320 -0.000 11.152) 13.340 8.924 ( -2.540 -0.000 -3.277) 4.147 8.965 ( 1.776 0.000 -0.021) 1.776 8.987 ( 2.162 0.000 -2.420) 3.245 9.468 ( 3.215 0.000 19.020) 19.290 9.860 ( 1.167 0.000 -15.717) 15.761 ======================= Grid point 489 (164/171) ======================= q-point: (-0.57 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -0.163 -0.198 1.568) 1.589 0.863 ( -0.457 -0.413 -2.029) 2.121 1.176 ( -5.900 1.637 4.622) 7.671 1.227 ( -0.309 0.562 -0.311) 0.712 1.243 ( -1.281 -2.034 -0.936) 2.579 1.284 ( -6.372 -0.632 -3.394) 7.247 2.095 ( -7.850 -0.122 3.298) 8.515 2.157 ( -8.758 -0.244 -1.808) 8.946 2.682 ( -9.821 0.242 4.581) 10.839 2.786 ( -7.792 0.272 -5.681) 9.646 3.077 ( -9.019 0.002 18.064) 20.191 3.301 ( 2.125 0.361 4.667) 5.141 3.337 ( -1.129 -0.124 -7.103) 7.194 3.387 ( 2.087 0.395 -3.804) 4.357 3.663 ( -22.598 0.038 7.805) 23.908 3.675 ( -31.641 -0.006 2.420) 31.733 3.998 ( -7.822 0.437 21.458) 22.843 4.613 ( 1.318 0.232 -30.938) 30.967 6.487 ( -30.400 -0.364 0.050) 30.402 6.497 ( -21.186 -0.318 -0.750) 21.202 6.896 ( -4.884 -0.010 2.982) 5.722 6.953 ( -6.544 0.124 -2.384) 6.966 7.345 ( 1.538 -0.148 3.597) 3.914 7.382 ( -3.558 -0.642 3.598) 5.101 7.439 ( 0.967 0.062 -4.264) 4.373 7.463 ( 2.650 -0.334 -2.842) 3.900 7.978 ( 1.408 -0.398 5.350) 5.546 8.067 ( -3.263 -0.229 -2.362) 4.035 8.217 ( 0.352 0.360 -1.711) 1.783 8.230 ( -6.944 0.100 -2.069) 7.246 8.670 ( -2.067 -0.277 18.397) 18.515 8.890 ( -0.736 0.085 -4.226) 4.291 9.036 ( 5.278 0.289 0.303) 5.295 9.086 ( 7.849 0.110 -4.114) 8.862 9.559 ( 5.828 -0.267 17.247) 18.207 9.910 ( 3.982 -0.098 -13.920) 14.479 ======================= Grid point 490 (165/171) ======================= q-point: (-0.50 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.572 -0.048 0.860) 1.034 0.860 ( -0.142 -1.145 -2.106) 2.401 1.078 ( -3.268 2.160 3.058) 4.969 1.135 ( -6.013 0.223 -2.461) 6.501 1.243 ( 0.983 0.319 0.362) 1.095 1.263 ( 0.852 -0.231 -1.475) 1.718 1.964 ( -5.386 -0.385 3.372) 6.366 2.005 ( -7.031 -0.939 1.325) 7.216 2.461 ( -13.425 0.723 2.297) 13.639 2.586 ( -13.762 0.689 -8.006) 15.936 2.895 ( -8.998 0.199 25.105) 26.669 3.041 ( -26.550 0.369 2.347) 26.656 3.097 ( -27.965 0.689 -0.638) 27.980 3.312 ( -1.310 0.405 4.366) 4.576 3.315 ( -2.579 0.027 -10.190) 10.511 3.427 ( 0.399 0.288 -4.296) 4.324 3.987 ( 2.697 1.083 31.095) 31.231 4.646 ( 1.675 1.094 -30.558) 30.624 5.675 ( -47.203 -1.093 5.070) 47.487 5.815 ( -45.788 -1.954 -8.889) 46.684 6.857 ( -2.113 0.334 0.272) 2.157 6.865 ( -3.164 -0.120 -0.479) 3.202 7.362 ( -0.347 -1.878 9.730) 9.915 7.404 ( 3.162 -0.816 3.689) 4.927 7.484 ( 3.196 -0.404 -4.095) 5.210 7.536 ( 4.182 -1.991 -6.151) 7.700 7.943 ( -5.076 -0.560 2.208) 5.564 7.950 ( -7.082 -0.758 0.716) 7.158 8.123 ( -3.337 0.482 5.669) 6.596 8.250 ( 1.737 0.778 -5.909) 6.208 8.690 ( 3.092 0.441 17.026) 17.310 8.892 ( 0.730 0.012 -3.767) 3.837 9.154 ( 6.699 0.692 2.710) 7.260 9.268 ( 10.270 1.056 -7.001) 12.474 9.686 ( 6.620 -0.933 16.514) 17.816 10.006 ( 5.378 -0.363 -11.948) 13.108 ======================= Grid point 491 (166/171) ======================= q-point: (-0.43 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 1.963 1.143 0.162) 2.277 0.875 ( 1.186 -1.140 -2.077) 2.650 1.017 ( -2.267 1.915 1.151) 3.183 1.033 ( -4.130 0.440 -0.532) 4.188 1.267 ( 2.354 2.754 0.719) 3.693 1.291 ( 2.728 2.949 -1.469) 4.277 1.849 ( -10.322 0.066 9.818) 14.246 1.916 ( -1.273 -1.422 2.061) 2.809 2.173 ( -12.190 0.519 -5.833) 13.523 2.219 ( -20.004 0.826 -8.241) 21.651 2.681 ( -12.503 0.366 0.393) 12.515 2.687 ( -10.395 0.080 -0.146) 10.396 2.752 ( -5.483 0.886 32.438) 32.910 3.270 ( -1.644 0.294 -16.843) 16.926 3.292 ( -0.641 0.488 8.382) 8.421 3.436 ( 0.463 -0.218 -5.815) 5.838 4.053 ( 5.098 1.522 29.642) 30.116 4.561 ( -16.644 1.451 -13.093) 21.227 4.876 ( -38.280 -0.889 -4.131) 38.512 4.948 ( -26.235 -3.453 -12.650) 29.329 6.804 ( -2.440 0.184 -0.045) 2.448 6.808 ( -2.828 0.090 -0.496) 2.872 7.372 ( -0.031 -3.301 11.190) 11.667 7.459 ( 1.787 -1.454 2.124) 3.133 7.553 ( 3.106 -1.185 -0.510) 3.363 7.635 ( 3.856 -4.225 -6.060) 8.333 7.826 ( -5.522 -0.873 0.821) 5.651 7.840 ( -5.065 -0.812 -0.174) 5.133 8.081 ( -1.095 0.636 10.078) 10.157 8.265 ( 0.364 0.935 -7.093) 7.163 8.745 ( 2.423 1.540 13.637) 13.936 8.910 ( 0.850 -0.147 -3.180) 3.295 9.267 ( 4.796 1.271 5.545) 7.441 9.436 ( 6.959 2.247 -9.175) 11.733 9.810 ( 4.843 -2.313 16.148) 17.016 10.105 ( 4.006 -0.918 -10.160) 10.960 ======================= Grid point 492 (167/171) ======================= q-point: (-0.36 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -0.000 1.944 0.751) 2.084 0.907 ( 0.000 -1.658 -3.049) 3.470 0.971 ( -0.000 2.919 1.070) 3.109 0.983 ( -0.000 1.026 -0.188) 1.043 1.285 ( -0.000 3.879 1.128) 4.040 1.316 ( -0.000 6.167 -2.049) 6.498 1.666 ( -0.000 1.370 14.310) 14.376 1.942 ( 0.000 -1.804 4.759) 5.090 1.948 ( -0.000 1.456 -11.971) 12.059 2.094 ( 0.000 -1.772 -8.825) 9.002 2.558 ( -0.000 0.204 1.775) 1.787 2.593 ( -0.000 0.061 -1.577) 1.578 2.694 ( -0.000 1.223 34.377) 34.398 3.253 ( -0.000 0.249 -18.168) 18.170 3.284 ( -0.000 0.380 9.013) 9.021 3.444 ( 0.000 -0.548 -6.684) 6.707 4.214 ( 0.000 -1.289 29.610) 29.639 4.274 ( 0.000 -0.172 1.919) 1.927 4.295 ( -0.000 0.543 -0.074) 0.548 4.828 ( -0.000 0.772 -28.536) 28.547 6.773 ( -0.000 0.252 -0.042) 0.256 6.780 ( 0.000 -0.197 -0.671) 0.699 7.392 ( 0.000 -4.350 10.400) 11.274 7.486 ( 0.000 -2.025 0.852) 2.197 7.599 ( 0.000 -2.698 3.272) 4.240 7.711 ( 0.000 -5.924 -5.728) 8.240 7.764 ( 0.000 -0.701 0.957) 1.186 7.785 ( 0.000 -0.640 -0.993) 1.182 8.067 ( -0.000 0.677 10.324) 10.346 8.262 ( -0.000 1.181 -7.558) 7.649 8.759 ( -0.000 1.913 12.588) 12.732 8.920 ( 0.000 -0.187 -3.349) 3.355 9.308 ( -0.000 1.808 6.533) 6.779 9.492 ( -0.000 3.190 -9.656) 10.169 9.878 ( 0.000 -3.832 15.517) 15.983 10.154 ( 0.000 -1.481 -9.062) 9.182 ======================= Grid point 503 (168/171) ======================= q-point: (-0.57 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.791 0.000 0.533) 0.954 0.853 ( -0.171 -0.000 -1.869) 1.876 1.090 ( -3.423 -0.000 2.380) 4.169 1.136 ( -6.047 -0.000 -2.146) 6.416 1.244 ( 1.528 0.000 0.291) 1.556 1.261 ( 1.491 0.000 -1.285) 1.969 1.962 ( -5.307 -0.000 3.146) 6.169 2.000 ( -7.278 -0.000 1.556) 7.443 2.465 ( -13.350 -0.000 2.416) 13.567 2.589 ( -13.703 -0.000 -7.940) 15.837 2.896 ( -8.934 -0.000 24.918) 26.471 3.043 ( -26.703 -0.000 2.306) 26.803 3.101 ( -28.022 -0.000 -0.595) 28.028 3.315 ( -2.651 -0.000 -12.783) 13.055 3.315 ( -1.034 -0.000 6.930) 7.007 3.429 ( 0.285 0.000 -4.281) 4.290 3.993 ( 2.769 0.000 31.162) 31.285 4.652 ( 1.876 0.000 -30.515) 30.572 5.669 ( -47.314 -0.000 4.915) 47.569 5.804 ( -46.208 -0.000 -8.597) 47.000 6.859 ( -1.834 -0.000 0.067) 1.836 6.864 ( -3.397 -0.000 -0.256) 3.406 7.352 ( -0.505 -0.000 10.400) 10.413 7.400 ( 3.089 0.000 3.365) 4.568 7.482 ( 3.258 0.000 -4.110) 5.245 7.526 ( 3.686 0.000 -6.332) 7.326 7.940 ( -4.904 -0.000 2.272) 5.404 7.946 ( -7.205 -0.000 0.692) 7.239 8.125 ( -3.329 -0.000 5.832) 6.715 8.254 ( 1.678 0.000 -5.905) 6.139 8.693 ( 3.386 0.000 17.259) 17.588 8.892 ( 0.687 0.000 -3.523) 3.589 9.157 ( 6.741 0.000 2.684) 7.255 9.274 ( 10.445 0.000 -7.154) 12.660 9.681 ( 6.482 0.000 16.557) 17.781 10.004 ( 5.316 0.000 -12.109) 13.224 ======================= Grid point 505 (169/171) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 2.162 0.394 -0.610) 2.281 0.864 ( 1.105 -0.728 -1.177) 1.770 1.032 ( -2.475 0.825 0.240) 2.620 1.036 ( -4.031 0.156 -0.217) 4.040 1.286 ( 2.833 0.992 0.928) 3.142 1.313 ( 4.129 1.214 -1.670) 4.617 1.849 ( -9.894 0.014 9.454) 13.685 1.905 ( -0.740 -0.567 1.947) 2.159 2.176 ( -12.717 0.187 -5.572) 13.885 2.225 ( -20.636 0.313 -8.077) 22.163 2.684 ( -12.874 0.139 0.336) 12.879 2.688 ( -10.141 0.005 -0.083) 10.141 2.759 ( -5.461 0.334 32.079) 32.543 3.272 ( -1.656 0.102 -16.918) 17.000 3.295 ( -0.757 0.170 8.214) 8.251 3.434 ( 0.267 -0.090 -5.572) 5.579 4.064 ( 4.831 0.547 30.180) 30.569 4.571 ( -18.017 0.521 -11.851) 21.571 4.872 ( -42.974 0.069 -4.097) 43.169 4.921 ( -19.392 -1.609 -13.439) 23.648 6.805 ( -2.529 0.044 -0.047) 2.530 6.809 ( -2.840 0.058 -0.500) 2.885 7.348 ( -0.213 -1.215 12.874) 12.933 7.449 ( 1.779 -0.461 1.981) 2.702 7.548 ( 3.042 0.013 -1.582) 3.428 7.602 ( 3.397 -1.889 -6.440) 7.522 7.820 ( -5.474 -0.296 0.859) 5.549 7.834 ( -4.994 -0.270 -0.203) 5.005 8.085 ( -1.115 0.238 10.474) 10.536 8.271 ( 0.316 0.303 -6.876) 6.890 8.757 ( 2.681 0.686 13.492) 13.773 8.908 ( 0.769 -0.099 -2.553) 2.668 9.275 ( 4.869 0.429 5.719) 7.523 9.452 ( 7.127 0.779 -9.512) 11.911 9.794 ( 4.502 -0.781 16.454) 17.077 10.099 ( 3.863 -0.324 -10.613) 11.299 ======================= Grid point 506 (170/171) ======================= q-point: (-0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -0.000 0.338 -0.170) 0.378 0.891 ( 0.000 -1.160 -1.351) 1.781 0.989 ( -0.000 0.626 0.442) 0.767 0.997 ( -0.000 1.469 -0.222) 1.485 1.317 ( -0.000 2.365 1.813) 2.980 1.372 ( -0.000 4.100 -3.607) 5.461 1.677 ( -0.000 0.773 14.547) 14.568 1.930 ( 0.000 -0.605 4.182) 4.225 1.960 ( -0.000 0.805 -11.891) 11.918 2.076 ( 0.000 -1.605 -8.701) 8.848 2.559 ( -0.000 0.114 1.722) 1.726 2.594 ( -0.000 0.032 -1.519) 1.519 2.704 ( -0.000 0.700 33.871) 33.879 3.255 ( -0.000 0.137 -18.196) 18.196 3.287 ( -0.000 0.179 8.775) 8.777 3.439 ( 0.000 -0.373 -6.314) 6.325 4.204 ( 0.000 -0.582 31.078) 31.084 4.272 ( 0.000 -0.095 2.181) 2.183 4.299 ( -0.000 0.303 -0.354) 0.466 4.834 ( -0.000 0.396 -28.699) 28.702 6.775 ( -0.000 0.148 -0.224) 0.269 6.778 ( 0.000 -0.107 -0.511) 0.522 7.356 ( 0.000 -2.526 13.112) 13.353 7.471 ( 0.000 -0.932 0.995) 1.363 7.584 ( 0.000 -0.507 0.640) 0.817 7.659 ( 0.000 -3.945 -5.937) 7.128 7.759 ( 0.000 -0.387 0.964) 1.039 7.780 ( 0.000 -0.366 -1.023) 1.086 8.073 ( -0.000 0.434 10.970) 10.979 8.271 ( -0.000 0.574 -7.219) 7.242 8.778 ( -0.000 1.475 12.164) 12.253 8.918 ( 0.000 -0.247 -2.416) 2.428 9.322 ( -0.000 0.927 6.896) 6.959 9.517 ( -0.000 1.702 -10.220) 10.361 9.848 ( 0.000 -1.943 16.266) 16.382 10.142 ( 0.000 -0.793 -9.830) 9.862 ======================= Grid point 520 (171/171) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 3.43e-04 3.43e-04 2.00e-05 2.00e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -0.000 0.000 -0.207) 0.207 0.887 ( -0.000 0.000 -1.074) 1.074 0.992 ( -0.000 0.000 0.574) 0.574 1.004 ( -0.000 0.000 -0.575) 0.575 1.330 ( -0.000 0.000 2.160) 2.160 1.394 ( -0.000 0.000 -4.067) 4.067 1.681 ( -0.000 0.000 14.627) 14.627 1.927 ( -0.000 0.000 3.681) 3.681 1.964 ( -0.000 0.000 -11.862) 11.862 2.067 ( -0.000 0.000 -8.468) 8.468 2.560 ( -0.000 0.000 1.703) 1.703 2.594 ( -0.000 0.000 -1.497) 1.497 2.708 ( -0.000 0.000 33.686) 33.686 3.256 ( -0.000 0.000 -18.199) 18.199 3.288 ( -0.000 0.000 8.683) 8.683 3.437 ( -0.000 0.000 -6.177) 6.177 4.201 ( -0.000 0.000 31.563) 31.563 4.272 ( -0.000 0.000 2.275) 2.275 4.301 ( -0.000 0.000 -0.454) 0.454 4.836 ( -0.000 0.000 -28.743) 28.743 6.776 ( -0.000 0.000 -0.291) 0.291 6.778 ( -0.000 0.000 -0.453) 0.453 7.343 ( -0.000 0.000 13.988) 13.988 7.466 ( -0.000 0.000 1.023) 1.023 7.583 ( -0.000 0.000 -0.090) 0.090 7.637 ( -0.000 0.000 -6.177) 6.177 7.757 ( -0.000 0.000 0.965) 0.965 7.778 ( -0.000 0.000 -1.031) 1.031 8.075 ( -0.000 0.000 11.186) 11.186 8.273 ( -0.000 0.000 -7.082) 7.082 8.786 ( -0.000 0.000 11.980) 11.980 8.916 ( -0.000 0.000 -2.043) 2.043 9.327 ( -0.000 0.000 7.025) 7.025 9.526 ( -0.000 0.000 -10.435) 10.435 9.838 ( -0.000 0.000 16.523) 16.523 10.138 ( -0.000 0.000 -10.097) 10.097 =================== 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 3/35280 10.0 47.674 71.112 21.453 0.000 0.000 -0.000 3/35280 20.0 19.290 16.416 9.309 0.000 0.000 -0.000 3/35280 30.0 13.706 8.346 8.504 0.000 0.000 -0.000 3/35280 40.0 12.058 5.496 8.754 0.000 0.000 -0.000 3/35280 50.0 11.072 4.095 8.616 0.000 0.000 -0.000 3/35280 60.0 10.160 3.272 8.120 0.000 0.000 -0.000 3/35280 70.0 9.288 2.733 7.489 0.000 0.000 -0.000 3/35280 80.0 8.488 2.353 6.859 0.000 0.000 -0.000 3/35280 90.0 7.776 2.070 6.284 0.000 0.000 -0.000 3/35280 100.0 7.153 1.851 5.777 0.000 0.000 -0.000 3/35280 110.0 6.609 1.676 5.336 0.000 0.000 -0.000 3/35280 120.0 6.134 1.533 4.953 0.000 0.000 -0.000 3/35280 130.0 5.718 1.413 4.618 0.000 0.000 -0.000 3/35280 140.0 5.352 1.312 4.324 0.000 0.000 -0.000 3/35280 150.0 5.028 1.224 4.065 0.000 0.000 -0.000 3/35280 160.0 4.739 1.148 3.834 0.000 0.000 -0.000 3/35280 170.0 4.481 1.080 3.628 0.000 0.000 -0.000 3/35280 180.0 4.249 1.021 3.443 0.000 0.000 -0.000 3/35280 190.0 4.039 0.968 3.275 0.000 0.000 -0.000 3/35280 200.0 3.848 0.920 3.123 0.000 0.000 -0.000 3/35280 210.0 3.675 0.876 2.985 0.000 0.000 -0.000 3/35280 220.0 3.516 0.837 2.858 0.000 0.000 -0.000 3/35280 230.0 3.370 0.801 2.741 0.000 0.000 -0.000 3/35280 240.0 3.235 0.768 2.634 0.000 0.000 -0.000 3/35280 250.0 3.111 0.737 2.534 0.000 0.000 -0.000 3/35280 260.0 2.996 0.709 2.442 0.000 0.000 -0.000 3/35280 270.0 2.889 0.683 2.356 0.000 0.000 -0.000 3/35280 280.0 2.789 0.659 2.276 0.000 0.000 -0.000 3/35280 290.0 2.696 0.637 2.201 0.000 0.000 -0.000 3/35280 300.0 2.609 0.616 2.131 0.000 0.000 -0.000 3/35280 310.0 2.527 0.596 2.065 0.000 0.000 -0.000 3/35280 320.0 2.450 0.577 2.003 0.000 0.000 -0.000 3/35280 330.0 2.378 0.560 1.945 0.000 0.000 -0.000 3/35280 340.0 2.310 0.544 1.890 0.000 0.000 -0.000 3/35280 350.0 2.245 0.528 1.838 0.000 0.000 -0.000 3/35280 360.0 2.185 0.514 1.789 0.000 0.000 -0.000 3/35280 370.0 2.127 0.500 1.742 0.000 0.000 -0.000 3/35280 380.0 2.072 0.487 1.698 0.000 0.000 -0.000 3/35280 390.0 2.020 0.475 1.656 0.000 0.000 -0.000 3/35280 400.0 1.970 0.463 1.615 0.000 0.000 -0.000 3/35280 410.0 1.923 0.452 1.577 0.000 0.000 -0.000 3/35280 420.0 1.878 0.441 1.541 0.000 0.000 -0.000 3/35280 430.0 1.835 0.431 1.506 0.000 0.000 -0.000 3/35280 440.0 1.794 0.421 1.473 0.000 0.000 -0.000 3/35280 450.0 1.755 0.412 1.441 0.000 0.000 -0.000 3/35280 460.0 1.718 0.403 1.410 0.000 0.000 -0.000 3/35280 470.0 1.682 0.394 1.381 0.000 0.000 -0.000 3/35280 480.0 1.647 0.386 1.353 0.000 0.000 -0.000 3/35280 490.0 1.614 0.378 1.326 0.000 0.000 -0.000 3/35280 500.0 1.582 0.371 1.300 0.000 0.000 -0.000 3/35280 510.0 1.552 0.364 1.275 0.000 0.000 -0.000 3/35280 520.0 1.522 0.357 1.251 0.000 0.000 -0.000 3/35280 530.0 1.494 0.350 1.228 0.000 0.000 -0.000 3/35280 540.0 1.467 0.343 1.206 0.000 0.000 -0.000 3/35280 550.0 1.440 0.337 1.185 0.000 0.000 -0.000 3/35280 560.0 1.415 0.331 1.164 0.000 0.000 -0.000 3/35280 570.0 1.390 0.325 1.144 0.000 0.000 -0.000 3/35280 580.0 1.367 0.320 1.124 0.000 0.000 -0.000 3/35280 590.0 1.344 0.315 1.106 0.000 0.000 -0.000 3/35280 600.0 1.322 0.309 1.088 0.000 0.000 -0.000 3/35280 610.0 1.300 0.304 1.070 0.000 0.000 -0.000 3/35280 620.0 1.279 0.299 1.053 0.000 0.000 -0.000 3/35280 630.0 1.259 0.295 1.037 0.000 0.000 -0.000 3/35280 640.0 1.240 0.290 1.021 0.000 0.000 -0.000 3/35280 650.0 1.221 0.286 1.005 0.000 0.000 -0.000 3/35280 660.0 1.203 0.281 0.990 0.000 0.000 -0.000 3/35280 670.0 1.185 0.277 0.976 0.000 0.000 -0.000 3/35280 680.0 1.168 0.273 0.962 0.000 0.000 -0.000 3/35280 690.0 1.151 0.269 0.948 0.000 0.000 -0.000 3/35280 700.0 1.135 0.265 0.935 0.000 0.000 -0.000 3/35280 710.0 1.119 0.262 0.922 0.000 0.000 -0.000 3/35280 720.0 1.103 0.258 0.909 0.000 0.000 -0.000 3/35280 730.0 1.088 0.254 0.897 0.000 0.000 -0.000 3/35280 740.0 1.074 0.251 0.885 0.000 0.000 -0.000 3/35280 750.0 1.060 0.248 0.873 0.000 0.000 -0.000 3/35280 760.0 1.046 0.244 0.862 0.000 0.000 -0.000 3/35280 770.0 1.032 0.241 0.851 0.000 0.000 -0.000 3/35280 780.0 1.019 0.238 0.840 0.000 0.000 -0.000 3/35280 790.0 1.006 0.235 0.830 0.000 0.000 -0.000 3/35280 800.0 0.994 0.232 0.819 0.000 0.000 -0.000 3/35280 810.0 0.982 0.229 0.809 0.000 0.000 -0.000 3/35280 820.0 0.970 0.227 0.800 0.000 0.000 -0.000 3/35280 830.0 0.958 0.224 0.790 0.000 0.000 -0.000 3/35280 840.0 0.947 0.221 0.781 0.000 0.000 -0.000 3/35280 850.0 0.936 0.219 0.772 0.000 0.000 -0.000 3/35280 860.0 0.925 0.216 0.763 0.000 0.000 -0.000 3/35280 870.0 0.914 0.214 0.754 0.000 0.000 -0.000 3/35280 880.0 0.904 0.211 0.746 0.000 0.000 -0.000 3/35280 890.0 0.894 0.209 0.738 0.000 0.000 -0.000 3/35280 900.0 0.884 0.206 0.729 0.000 0.000 -0.000 3/35280 910.0 0.874 0.204 0.722 0.000 0.000 -0.000 3/35280 920.0 0.865 0.202 0.714 0.000 0.000 -0.000 3/35280 930.0 0.856 0.200 0.706 0.000 0.000 -0.000 3/35280 940.0 0.847 0.198 0.699 0.000 0.000 -0.000 3/35280 950.0 0.838 0.196 0.691 0.000 0.000 -0.000 3/35280 960.0 0.829 0.194 0.684 0.000 0.000 -0.000 3/35280 970.0 0.821 0.192 0.677 0.000 0.000 -0.000 3/35280 980.0 0.812 0.190 0.671 0.000 0.000 -0.000 3/35280 990.0 0.804 0.188 0.664 0.000 0.000 -0.000 3/35280 1000.0 0.796 0.186 0.657 0.000 0.000 -0.000 3/35280 Thermal conductivity related properties were written into "kappa-m14145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:15:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|